A0A087WTD2_HUMAN Loading...

Cytochrome P450 family 39 subfamily A member 1

AlphaFold DB , UniProt , Accession A0A087WTD2, Species HUMAN (Homo sapiens, Human), Gene CYP39A1, Length 297 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
1M74.4Confident78.7Confident139 Ų13971.4 Ų71.469%0.68538%0.38SS*.  0140.60-165.6174.3-17500108.2F3 K5 T73 L74M1-F3 VanDerWaalsContact CG-O 3.31Å; M1-F3 WeakPolarHBondContact CG-O 3.24Å; M1-K5 HydrophobicContact CE-CG 3.93Å; M1-T73 HydrophobicContact CB-CG2 4.48Å; M1-T73 VanDerWaalsContact O-CA 3.3Å; M1-T73 WeakPolarHBondContact O-CA 3.32Å; M1-T73 VanDerWaalsContact O-CB 3.31Å; M1-T73 WeakPolarHBondContact O-CB 3.04Å; M1-L74 PolarHBondContact O-N 3.06Å
2L81.9Confident79.6Confident13 Ų1380.9 Ų80.97%0.06842%0.416CS..  trans-72.8-53.2-175.7-17861.8000112.5L74 L75 S102 F247L2-L74 HydrophobicContact CD1-CB 4.05Å; L2-L74 HydrophobicContact CD1-CD2 3.77Å; L2-L74 HydrophobicContact CD1-CG 4.26Å; L2-L75 WeakPolarHBondContact O-CB 3.32Å; L2-L75 PolarHBondContact O-N 2.99Å; L2-S102 WeakPolarHBondContact CD2-OG 3.37Å; L2-F247 HydrophobicContact CB-CE1 3.93Å; L2-F247 HydrophobicContact CB-CZ 3.9Å
3F83.8Confident80.4Confident14 Ų1487.8 Ų87.86%0.06144%0.441CS..SBendtrans-117.5157.8179.2-61.7-71.3000111.3M1 L7 F8 F54 L75 L98 L99M1-F3 VanDerWaalsContact CG-O 3.31Å; M1-F3 WeakPolarHBondContact CG-O 3.24Å; F3-L7 HydrophobicContact CB-CD2 4.15Å; F3-L7 HydrophobicContact CD1-CD2 3.5Å; F3-L7 VanDerWaalsContact CD1-CD2 3.5Å; F3-L7 HydrophobicContact CE1-CD2 4.16Å; F3-L7 HydrophobicContact CG-CD2 3.96Å; F3-F8 HydrophobicContact CB-CE2 3.65Å; F3-F8 HydrophobicContact CB-CZ 4.27Å; F3-F8 AromaticContact CD2-CE2 3.78Å; F3-F8 HydrophobicContact CD2-CE2 3.78Å; F3-F8 AromaticContact CD2-CZ 3.72Å; F3-F8 HydrophobicContact CD2-CZ 3.72Å; F3-F8 HydrophobicContact CE2-CZ 4.26Å; F3-F8 AromaticContact CG-CE2 3.85Å; F3-F8 HydrophobicContact CG-CE2 3.85Å; F3-F8 AromaticContact CG-CZ 3.96Å; F3-F8 HydrophobicContact CG-CZ 3.96Å; F3-F54 HydrophobicContact CE1-CE1 4.45Å; F3-F54 HydrophobicContact CE1-CZ 4.41Å; F3-L75 HydrophobicContact CD1-CB 4.29Å; F3-L75 HydrophobicContact CD1-CD2 3.62Å; F3-L75 HydrophobicContact CE1-CD2 3.9Å; F3-L98 HydrophobicContact CZ-CB 4.48Å; F3-L99 HydrophobicContact CE2-CD1 3.92Å; F3-L99 HydrophobicContact CZ-CB 4.07Å; F3-L99 HydrophobicContact CZ-CD1 3.85Å
4N75.4Confident81.1Confident24 Ų2490.1 Ų90.113%0.12845%0.447CS..  trans-73.8148.8168.5-168.2-0.2000111S6 L7 C64N4-S6 PolarHBondContact ND2-OG 3.15Å; N4-S6 VanDerWaalsContact ND2-OG 3.14Å; N4-S6 PolarHBondContact O-N 3.02Å; N4-L7 PolarHBondContact O-N 2.87Å; N4-C64 WeakPolarHBondContact ND2-CB 3.14Å; N4-C64 PolarHBondContact ND2-SG 2.92Å
5K70.6Confident81.7Confident166 Ų16690 Ų9072%0.72245%0.447SS*.G310 helixtrans-58.8-27.1176.6-70.4-176.2179.4178.20113.2M1 L7M1-K5 HydrophobicContact CE-CG 3.93Å; K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.41Å
6S70.3Confident82.4Confident68 Ų6892.9 Ų92.948%0.47646%0.456SS..G310 helixtrans-70.8-22-179.356.90000114N4 F8N4-S6 PolarHBondContact ND2-OG 3.15Å; N4-S6 VanDerWaalsContact ND2-OG 3.14Å; N4-S6 PolarHBondContact O-N 3.02Å; S6-F8 VanDerWaalsContact C-N 3.31Å; S6-F8 PolarHBondContact O-N 3.1Å
7L76.4Confident83.1Confident12 Ų1291.8 Ų91.86%0.06345%0.45CS..G310 helixtrans-67-34.1-177.9-177.260.4000112.1F3 N4 K5 F54 N57 I61F3-L7 HydrophobicContact CB-CD2 4.15Å; F3-L7 HydrophobicContact CD1-CD2 3.5Å; F3-L7 VanDerWaalsContact CD1-CD2 3.5Å; F3-L7 HydrophobicContact CE1-CD2 4.16Å; F3-L7 HydrophobicContact CG-CD2 3.96Å; N4-L7 PolarHBondContact O-N 2.87Å; K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.41Å; L7-F54 HydrophobicContact CD1-CE1 4.47Å; L7-F54 HydrophobicContact CD2-CE1 3.93Å; L7-F54 HydrophobicContact CD2-CZ 4.26Å; L7-N57 HydrophobicContact CD1-CB 3.97Å; L7-I61 HydrophobicContact CD1-CD1 4.13Å
8F79.5Confident83.7Confident79 Ų7988.8 Ų88.835%0.34643%0.434SS..SBendtrans-102.8127.8-175.5-57.4-67.5000111.2F3 S6 F18 L99F3-F8 HydrophobicContact CB-CE2 3.65Å; F3-F8 HydrophobicContact CB-CZ 4.27Å; F3-F8 AromaticContact CD2-CE2 3.78Å; F3-F8 HydrophobicContact CD2-CE2 3.78Å; F3-F8 AromaticContact CD2-CZ 3.72Å; F3-F8 HydrophobicContact CD2-CZ 3.72Å; F3-F8 HydrophobicContact CE2-CZ 4.26Å; F3-F8 AromaticContact CG-CE2 3.85Å; F3-F8 HydrophobicContact CG-CE2 3.85Å; F3-F8 AromaticContact CG-CZ 3.96Å; F3-F8 HydrophobicContact CG-CZ 3.96Å; S6-F8 VanDerWaalsContact C-N 3.31Å; S6-F8 PolarHBondContact O-N 3.1Å; F8-F18 HydrophobicContact CD1-CE2 4.18Å; F8-F18 HydrophobicContact CD1-CZ 4.27Å; F8-F18 AromaticContact CE1-CE2 3.92Å; F8-F18 HydrophobicContact CE1-CE2 3.92Å; F8-F18 AromaticContact CE1-CZ 3.73Å; F8-F18 HydrophobicContact CE1-CZ 3.73Å; F8-L99 HydrophobicContact CE1-CD1 4.15Å; F8-L99 HydrophobicContact CZ-CD1 4.05Å
9S79.1Confident84.2Confident47 Ų4789.3 Ų89.333%0.32944%0.435SS..  trans-72.2142.2177.2-168.60000111.6N11 K14 I15S9-N11 VanDerWaalsContact C-N 3.28Å; S9-N11 WeakPolarHBondContact OG-CB 3.18Å; S9-N11 PolarHBondContact OG-N 3.29Å; S9-N11 VanDerWaalsContact OG-N 3.17Å; S9-K14 WeakPolarHBondContact OG-CD 3.16Å; S9-I15 WeakPolarHBondContact O-CD1 3.48Å; S9-I15 WeakPolarHBondContact O-CG1 3.48Å
10T83.3Confident84.7Confident139 Ų13989.9 Ų89.985%0.85344%0.437SS*.  trans-82.1-7.3168.354.60000112.9K12T10-K12 PolarHBondContact O-N 2.9Å
11N90.8Very high85.2Confident84 Ų8489 Ų8945%0.44943%0.43SS..  trans-77.1121.3179.8-176.8-60.2000110.8S9 K13 K14 I15S9-N11 VanDerWaalsContact C-N 3.28Å; S9-N11 WeakPolarHBondContact OG-CB 3.18Å; S9-N11 PolarHBondContact OG-N 3.29Å; S9-N11 VanDerWaalsContact OG-N 3.17Å; N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 2.76Å; N11-K13 VanDerWaalsContact O-N 3.17Å; N11-K13 WeakPolarHBondContact OD1-CB 3.21Å; N11-K13 PolarHBondContact OD1-N 2.92Å; N11-K14 HydrophobicContact CB-CB 4.25Å; N11-K14 HydrophobicContact CB-CD 4.29Å; N11-K14 HydrophobicContact CB-CG 4.23Å; N11-K14 PolarHBondContact O-N 2.71Å; N11-K14 PolarHBondContact OD1-N 3.22Å; N11-I15 WeakPolarHBondContact O-CG1 3.39Å; N11-I15 PolarHBondContact O-N 2.95Å
12K89.7Confident86.2Confident186 Ų18683.4 Ų83.481%0.80940%0.401SS*.Hα-helixtrans-52.5-38.7-178.6-71.4-175.9177.2-178.30114.2T10 I15 K16T10-K12 PolarHBondContact O-N 2.9Å; K12-I15 PolarHBondContact O-N 2.89Å; K12-K16 PolarHBondContact O-N 3.29Å
13K90.7Very high86.7Confident170 Ų17086.7 Ų86.774%0.73942%0.416SS*.Hα-helixtrans-66.5-44.2179-176.1178.8176.2-178.70110.9N11 K16 E17N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 2.76Å; N11-K13 VanDerWaalsContact O-N 3.17Å; N11-K13 WeakPolarHBondContact OD1-CB 3.21Å; N11-K13 PolarHBondContact OD1-N 2.92Å; K13-K16 PolarHBondContact O-N 2.67Å; K13-E17 PolarHBondContact O-N 3.16Å
14K89.5Confident87.1Confident121 Ų12188.3 Ų88.353%0.52643%0.427SS..Hα-helixtrans-66.8-36.4177.4-69.2-173.7172-174.70112.4S9 N11 E17 F18S9-K14 WeakPolarHBondContact OG-CD 3.16Å; N11-K14 HydrophobicContact CB-CB 4.25Å; N11-K14 HydrophobicContact CB-CD 4.29Å; N11-K14 HydrophobicContact CB-CG 4.23Å; N11-K14 PolarHBondContact O-N 2.71Å; N11-K14 PolarHBondContact OD1-N 3.22Å; K14-E17 PolarHBondContact O-N 3.34Å; K14-F18 WeakPolarHBondContact O-CB 3.31Å; K14-F18 PolarHBondContact O-N 2.84Å
15I90.8Very high88Confident88 Ų8887.9 Ų87.945%0.45142%0.424SS..Hα-helixtrans-62.6-45173.5-65.8169000110.5S9 N11 K12 F18 H19S9-I15 WeakPolarHBondContact O-CD1 3.48Å; S9-I15 WeakPolarHBondContact O-CG1 3.48Å; N11-I15 WeakPolarHBondContact O-CG1 3.39Å; N11-I15 PolarHBondContact O-N 2.95Å; K12-I15 PolarHBondContact O-N 2.89Å; I15-F18 PolarHBondContact O-N 2.71Å; I15-H19 WeakPolarHBondContact O-CB 3.34Å; I15-H19 PolarHBondContact O-N 3.05Å
16K92.4Very high88.9Confident136 Ų13680.6 Ų80.659%0.59139%0.393SS*.Hα-helixtrans-62.9-43.4177.7-174175.9179.9178.90111.9K12 K13 H19 Q20K12-K16 PolarHBondContact O-N 3.29Å; K13-K16 PolarHBondContact O-N 2.67Å; K16-H19 PolarHBondContact O-N 3.22Å; K16-Q20 VanDerWaalsContact O-CG 3.29Å; K16-Q20 WeakPolarHBondContact O-CG 3.44Å; K16-Q20 PolarHBondContact O-N 3.11Å
17E94Very high89.8Confident75 Ų7583 Ų8335%0.3540%0.396SS..Hα-helixtrans-61.4-49.1176-180175-147.700111.7K13 K14 H19 Q20 Y21 W49K13-E17 PolarHBondContact O-N 3.16Å; K14-E17 PolarHBondContact O-N 3.34Å; E17-H19 VanDerWaalsContact C-N 3.3Å; E17-H19 PolarHBondContact O-N 3.18Å; E17-Q20 PolarHBondContact O-N 3.13Å; E17-Y21 HydrophobicContact CG-CD2 3.88Å; E17-Y21 HydrophobicContact CG-CE2 3.7Å; E17-Y21 VanDerWaalsContact O-CD2 3.3Å; E17-Y21 WeakPolarHBondContact O-CD2 3Å; E17-Y21 PolarHBondContact O-N 3.14Å; E17-W49 HydrophobicContact CG-CZ2 4.3Å
18F94.3Very high90.4Very high38 Ų3884.8 Ų84.817%0.16741%0.406CS..Hα-helixtrans-54.2-47.5174.7178.9-79.1000111.5F8 K14 I15 Q20 Y21 F22 W49 F50 L53 L99 L103F8-F18 HydrophobicContact CD1-CE2 4.18Å; F8-F18 HydrophobicContact CD1-CZ 4.27Å; F8-F18 AromaticContact CE1-CE2 3.92Å; F8-F18 HydrophobicContact CE1-CE2 3.92Å; F8-F18 AromaticContact CE1-CZ 3.73Å; F8-F18 HydrophobicContact CE1-CZ 3.73Å; K14-F18 WeakPolarHBondContact O-CB 3.31Å; K14-F18 PolarHBondContact O-N 2.84Å; I15-F18 PolarHBondContact O-N 2.71Å; F18-Q20 PolarHBondContact O-N 3.04Å; F18-Y21 PolarHBondContact O-N 2.77Å; F18-F22 HydrophobicContact CE1-CB 4.38Å; F18-F22 WeakPolarHBondContact O-CB 3.26Å; F18-F22 PolarHBondContact O-N 3.28Å; F18-W49 HydrophobicContact CB-CH2 4.16Å; F18-W49 AromaticContact CD2-CH2 3.95Å; F18-W49 HydrophobicContact CD2-CH2 3.95Å; F18-W49 AromaticContact CD2-CZ3 3.96Å; F18-W49 HydrophobicContact CD2-CZ3 3.96Å; F18-W49 HydrophobicContact CG-CH2 4.47Å; F18-F50 HydrophobicContact CD2-CE1 4.02Å; F18-F50 HydrophobicContact CE2-CD1 4.43Å; F18-F50 AromaticContact CE2-CE1 3.62Å; F18-F50 HydrophobicContact CE2-CE1 3.62Å; F18-F50 AromaticContact CZ-CE1 3.89Å; F18-F50 HydrophobicContact CZ-CE1 3.89Å; F18-L53 HydrophobicContact CD2-CD2 4.23Å; F18-L53 HydrophobicContact CE2-CD2 4.05Å; F18-L99 HydrophobicContact CE2-CD2 4.19Å; F18-L99 HydrophobicContact CZ-CD1 4.02Å; F18-L99 HydrophobicContact CZ-CD2 3.78Å; F18-L99 HydrophobicContact CZ-CG 4.4Å; F18-L103 HydrophobicContact CE1-CD1 4.13Å; F18-L103 HydrophobicContact CZ-CD1 4.36Å
19H92.7Very high90.7Very high98 Ų9882.6 Ų82.645%0.45440%0.397SS..Hα-helixtrans-62.2-42.9179.7-176.1-99.9000111.9I15 K16 E17 F22 Q23I15-H19 WeakPolarHBondContact O-CB 3.34Å; I15-H19 PolarHBondContact O-N 3.05Å; K16-H19 PolarHBondContact O-N 3.22Å; E17-H19 VanDerWaalsContact C-N 3.3Å; E17-H19 PolarHBondContact O-N 3.18Å; H19-F22 PolarHBondContact O-N 2.92Å; H19-Q23 PolarHBondContact CE1-NE2 2.93Å; H19-Q23 PolarHBondContact CE1-OE1 3.03Å; H19-Q23 PolarHBondContact ND1-OE1 3.33Å; H19-Q23 VanDerWaalsContact O-CG 3.31Å; H19-Q23 WeakPolarHBondContact O-CG 3.35Å; H19-Q23 PolarHBondContact O-N 3.44Å
20Q94.4Very high90.9Very high100 Ų10081.4 Ų81.447%0.46739%0.386SS..Hα-helixtrans-61-46177.5-74.7173.3-30.800112K16 E17 F18 F22 V24K16-Q20 VanDerWaalsContact O-CG 3.29Å; K16-Q20 WeakPolarHBondContact O-CG 3.44Å; K16-Q20 PolarHBondContact O-N 3.11Å; E17-Q20 PolarHBondContact O-N 3.13Å; F18-Q20 PolarHBondContact O-N 3.04Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-V24 WeakPolarHBondContact O-CG2 3.35Å; Q20-V24 PolarHBondContact O-N 2.92Å
21Y95.9Very high90.8Very high73 Ų7381.1 Ų81.129%0.28637%0.37SS..Hα-helixtrans-64.9-38.5175.1-78.1-65.7000112.1E17 F18 Y25 S46 W49E17-Y21 HydrophobicContact CG-CD2 3.88Å; E17-Y21 HydrophobicContact CG-CE2 3.7Å; E17-Y21 VanDerWaalsContact O-CD2 3.3Å; E17-Y21 WeakPolarHBondContact O-CD2 3Å; E17-Y21 PolarHBondContact O-N 3.14Å; F18-Y21 PolarHBondContact O-N 2.77Å; Y21-Y25 VanDerWaalsContact O-CB 3.29Å; Y21-Y25 WeakPolarHBondContact O-CB 3.37Å; Y21-Y25 PolarHBondContact O-N 3.48Å; Y21-S46 WeakPolarHBondContact O-CB 3.46Å; Y21-W49 HydrophobicContact CD1-CB 4.1Å; Y21-W49 HydrophobicContact CD1-CD2 4.47Å; Y21-W49 HydrophobicContact CD1-CG 4.14Å; Y21-W49 AromaticContact CD2-CD1 3.96Å; Y21-W49 AromaticContact CD2-CD2 3.51Å; Y21-W49 HydrophobicContact CD2-CD2 3.51Å; Y21-W49 AromaticContact CD2-CE2 3.56Å; Y21-W49 AromaticContact CD2-CE3 3.95Å; Y21-W49 HydrophobicContact CD2-CE3 3.95Å; Y21-W49 AromaticContact CD2-CG 3.8Å; Y21-W49 HydrophobicContact CD2-CG 3.8Å; Y21-W49 HydrophobicContact CD2-CH2 4.45Å; Y21-W49 HydrophobicContact CD2-CZ2 4.06Å; Y21-W49 HydrophobicContact CD2-CZ3 4.4Å; Y21-W49 AromaticContact CD2-NE1 3.8Å; Y21-W49 HydrophobicContact CE1-CB 4.04Å; Y21-W49 HydrophobicContact CE1-CG 4.05Å; Y21-W49 AromaticContact CE2-CD1 3.45Å; Y21-W49 VanDerWaalsContact CE2-CD1 3.45Å; Y21-W49 AromaticContact CE2-CD2 3.84Å; Y21-W49 HydrophobicContact CE2-CD2 3.84Å; Y21-W49 AromaticContact CE2-CE2 3.65Å; Y21-W49 AromaticContact CE2-CG 3.72Å; Y21-W49 HydrophobicContact CE2-CG 3.72Å; Y21-W49 HydrophobicContact CE2-CZ2 4.38Å; Y21-W49 AromaticContact CE2-NE1 3.36Å; Y21-W49 HydrophobicContact CG-CB 4.35Å; Y21-W49 AromaticContact CG-CD2 3.86Å; Y21-W49 HydrophobicContact CG-CD2 3.86Å; Y21-W49 HydrophobicContact CG-CE3 4.03Å; Y21-W49 HydrophobicContact CG-CG 4Å; Y21-W49 AromaticContact CZ-CD1 3.56Å; Y21-W49 AromaticContact CZ-CG 3.84Å; Y21-W49 AromaticContact CZ-NE1 3.96Å
22F94.6Very high90.4Very high21 Ų2177.4 Ų77.49%0.09235%0.352CS..Hα-helixtrans-64.1-46.2178.5-172.7-99.5000111.7F18 H19 Q20 V24 Y25 D26 F50 L103 S104F18-F22 HydrophobicContact CE1-CB 4.38Å; F18-F22 WeakPolarHBondContact O-CB 3.26Å; F18-F22 PolarHBondContact O-N 3.28Å; H19-F22 PolarHBondContact O-N 2.92Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.37Å; F22-Y25 PolarHBondContact O-N 3.14Å; F22-Y25 VanDerWaalsContact O-N 3.17Å; F22-D26 HydrophobicContact CD1-CB 4.46Å; F22-D26 HydrophobicContact CE1-CB 4.04Å; F22-D26 HydrophobicContact CZ-CB 4.27Å; F22-D26 VanDerWaalsContact O-CB 3.3Å; F22-D26 WeakPolarHBondContact O-CB 3.36Å; F22-D26 PolarHBondContact O-N 3.42Å; F22-F50 HydrophobicContact CB-CE2 4.42Å; F22-F50 HydrophobicContact CB-CZ 3.82Å; F22-F50 HydrophobicContact CD2-CZ 4.1Å; F22-F50 HydrophobicContact CG-CZ 4.49Å; F22-L103 HydrophobicContact CD1-CD1 4.37Å; F22-L103 HydrophobicContact CD2-CD1 3.86Å; F22-L103 HydrophobicContact CE1-CB 3.77Å; F22-L103 HydrophobicContact CE1-CD1 4.22Å; F22-L103 HydrophobicContact CE2-CB 3.84Å; F22-L103 HydrophobicContact CE2-CD1 3.69Å; F22-L103 HydrophobicContact CE2-CG 4.34Å; F22-L103 HydrophobicContact CG-CD1 4.21Å; F22-L103 HydrophobicContact CZ-CB 3.29Å; F22-L103 HydrophobicContact CZ-CD1 3.9Å; F22-L103 HydrophobicContact CZ-CG 4.22Å; F22-S104 WeakPolarHBondContact CZ-OG 3.24Å
23Q92Very high89.8Confident82 Ų8272.2 Ų72.238%0.38334%0.339SS..Hα-helixtrans-57.7-49.8178.1-72.8179.9-63.700111.6H19 Y25 D26 E27H19-Q23 PolarHBondContact CE1-NE2 2.93Å; H19-Q23 PolarHBondContact CE1-OE1 3.03Å; H19-Q23 PolarHBondContact ND1-OE1 3.33Å; H19-Q23 VanDerWaalsContact O-CG 3.31Å; H19-Q23 WeakPolarHBondContact O-CG 3.35Å; H19-Q23 PolarHBondContact O-N 3.44Å; Q23-Y25 VanDerWaalsContact C-N 3.28Å; Q23-Y25 PolarHBondContact O-N 3.01Å; Q23-D26 PolarHBondContact O-N 2.92Å; Q23-E27 WeakPolarHBondContact O-CB 3.21Å; Q23-E27 VanDerWaalsContact O-CG 3.29Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 3.33Å
24V92.9Very high89.4Confident47 Ų4771.7 Ų71.729%0.28534%0.339SS..Hα-helixtrans-62.4-37.2177.9174.90000111.5Q20 F22 N42 S46Q20-V24 WeakPolarHBondContact O-CG2 3.35Å; Q20-V24 PolarHBondContact O-N 2.92Å; F22-V24 PolarHBondContact O-N 3.37Å; V24-N42 HydrophobicContact CG1-CB 3.89Å; V24-S46 WeakPolarHBondContact CB-OG 3.44Å; V24-S46 VanDerWaalsContact CG1-OG 3.25Å; V24-S46 WeakPolarHBondContact CG1-OG 3.1Å
25Y93.5Very high89.2Confident15 Ų1569.7 Ų69.76%0.05933%0.334CS..Hα-helixtrans-69.2-41.6177.5-178.9-98.5000112.7Y21 F22 Q23 F29 W43 K47 F50 L96 W100Y21-Y25 VanDerWaalsContact O-CB 3.29Å; Y21-Y25 WeakPolarHBondContact O-CB 3.37Å; Y21-Y25 PolarHBondContact O-N 3.48Å; F22-Y25 PolarHBondContact O-N 3.14Å; F22-Y25 VanDerWaalsContact O-N 3.17Å; Q23-Y25 VanDerWaalsContact C-N 3.28Å; Q23-Y25 PolarHBondContact O-N 3.01Å; Y25-F29 HydrophobicContact CD1-CD2 4.49Å; Y25-F29 AromaticContact CE1-CD2 3.65Å; Y25-F29 HydrophobicContact CE1-CD2 3.65Å; Y25-F29 HydrophobicContact CE1-CE2 4.1Å; Y25-F29 AromaticContact CZ-CD2 3.71Å; Y25-F29 AromaticContact CZ-CE2 4Å; Y25-F29 WeakPolarHBondContact O-CA 3.46Å; Y25-F29 WeakPolarHBondContact O-CB 3.24Å; Y25-F29 PolarHBondContact O-N 2.99Å; Y25-F29 VanDerWaalsContact O-N 3.13Å; Y25-F29 WeakPolarHBondContact OH-CE2 3.45Å; Y25-W43 AromaticContact CD2-CE2 3.85Å; Y25-W43 HydrophobicContact CD2-CZ2 4.19Å; Y25-W43 AromaticContact CD2-NE1 3.51Å; Y25-W43 AromaticContact CE2-CE2 3.76Å; Y25-W43 HydrophobicContact CE2-CH2 4.47Å; Y25-W43 AromaticContact CE2-CZ2 3.61Å; Y25-W43 HydrophobicContact CE2-CZ2 3.61Å; Y25-W43 AromaticContact CE2-NE1 3.8Å; Y25-W43 VanDerWaalsContact O-CD1 3.23Å; Y25-W43 PolarHBondContact O-NE1 3.03Å; Y25-K47 HydrophobicContact CD2-CB 4.02Å; Y25-K47 HydrophobicContact CE2-CB 3.87Å; Y25-K47 HydrophobicContact CE2-CG 4.13Å; Y25-F50 HydrophobicContact CG-CD2 4.36Å; Y25-F50 HydrophobicContact CG-CE2 4.39Å; Y25-L96 HydrophobicContact CD1-CD1 4.29Å; Y25-L96 HydrophobicContact CE1-CD1 3.8Å; Y25-L96 HydrophobicContact CE1-CG 4.26Å; Y25-L96 HydrophobicContact CE2-CD1 4.46Å; Y25-L96 HydrophobicContact CE2-CD2 3.96Å; Y25-W100 AromaticContact CD1-CD1 3.79Å; Y25-W100 HydrophobicContact CD1-CG 4.48Å; Y25-W100 HydrophobicContact CE1-CB 3.96Å; Y25-W100 AromaticContact CE1-CD1 3.61Å; Y25-W100 AromaticContact CE1-CG 3.91Å; Y25-W100 HydrophobicContact CE1-CG 3.91Å
26D91.3Very high89Confident14 Ų1469.3 Ų69.38%0.07534%0.337CS..Hα-helixtrans-70.7-47.6-177.6-168.840.1000111.9F22 Q23 D28 F29 W100 S104F22-D26 HydrophobicContact CD1-CB 4.46Å; F22-D26 HydrophobicContact CE1-CB 4.04Å; F22-D26 HydrophobicContact CZ-CB 4.27Å; F22-D26 VanDerWaalsContact O-CB 3.3Å; F22-D26 WeakPolarHBondContact O-CB 3.36Å; F22-D26 PolarHBondContact O-N 3.42Å; Q23-D26 PolarHBondContact O-N 2.92Å; D26-D28 VanDerWaalsContact C-N 3.29Å; D26-D28 PolarHBondContact O-N 2.8Å; D26-F29 WeakPolarHBondContact O-CB 3.49Å; D26-F29 PolarHBondContact O-N 2.84Å; D26-W100 PolarHBondContact OD1-NE1 3.4Å; D26-S104 VanDerWaalsContact CG-OG 3.25Å; D26-S104 VanDerWaalsContact OD1-CB 3.32Å; D26-S104 WeakPolarHBondContact OD1-CB 3.42Å; D26-S104 PolarHBondContact OD1-OG 3.47Å
27E88.3Confident88.7Confident117 Ų11766.2 Ų66.255%0.54732%0.324SS..Hα-helixtrans-58.3-39.2-178.1-75.2173.4-178.900112.8Q23Q23-E27 WeakPolarHBondContact O-CB 3.21Å; Q23-E27 VanDerWaalsContact O-CG 3.29Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 3.33Å
28D88Confident88.3Confident51 Ų5167 Ų6727%0.27334%0.337SS..THydrogen-bonded Turntrans-102.27-178.2-79.6-27.9000112.8D26 E30 Y31 G32 W43D26-D28 VanDerWaalsContact C-N 3.29Å; D26-D28 PolarHBondContact O-N 2.8Å; D28-E30 VanDerWaalsContact C-N 3.28Å; D28-E30 PolarHBondContact O-N 3.48Å; D28-Y31 PolarHBondContact O-N 2.9Å; D28-G32 WeakPolarHBondContact O-CA 3.43Å; D28-G32 PolarHBondContact O-N 3.34Å; D28-W43 HydrophobicContact CB-CB 3.85Å; D28-W43 HydrophobicContact CB-CG 3.78Å
29F87.3Confident88.1Confident33 Ų3370.8 Ų70.815%0.14536%0.359CS..Hα-helixtrans-52.8-44.9-173.3177.9-98.4000113Y25 D26 S33 W100Y25-F29 HydrophobicContact CD1-CD2 4.49Å; Y25-F29 AromaticContact CE1-CD2 3.65Å; Y25-F29 HydrophobicContact CE1-CD2 3.65Å; Y25-F29 HydrophobicContact CE1-CE2 4.1Å; Y25-F29 AromaticContact CZ-CD2 3.71Å; Y25-F29 AromaticContact CZ-CE2 4Å; Y25-F29 WeakPolarHBondContact O-CA 3.46Å; Y25-F29 WeakPolarHBondContact O-CB 3.24Å; Y25-F29 PolarHBondContact O-N 2.99Å; Y25-F29 VanDerWaalsContact O-N 3.13Å; Y25-F29 WeakPolarHBondContact OH-CE2 3.45Å; D26-F29 WeakPolarHBondContact O-CB 3.49Å; D26-F29 PolarHBondContact O-N 2.84Å; F29-S33 WeakPolarHBondContact O-CB 3.23Å; F29-S33 PolarHBondContact O-N 3.31Å; F29-S33 PolarHBondContact O-OG 2.79Å; F29-W100 HydrophobicContact CB-CZ2 4.35Å; F29-W100 HydrophobicContact CD1-CD2 4.25Å; F29-W100 AromaticContact CD1-CE2 3.6Å; F29-W100 AromaticContact CD1-CH2 3.81Å; F29-W100 HydrophobicContact CD1-CH2 3.81Å; F29-W100 AromaticContact CD1-CZ2 3.37Å; F29-W100 HydrophobicContact CD1-CZ2 3.37Å; F29-W100 HydrophobicContact CD1-CZ3 4.39Å; F29-W100 AromaticContact CD2-CD1 3.94Å; F29-W100 HydrophobicContact CD2-CD2 4.01Å; F29-W100 AromaticContact CD2-CE2 3.84Å; F29-W100 HydrophobicContact CD2-CG 4.09Å; F29-W100 HydrophobicContact CD2-CZ2 4.46Å; F29-W100 AromaticContact CD2-NE1 3.76Å; F29-W100 HydrophobicContact CE1-CD2 4.13Å; F29-W100 AromaticContact CE1-CE2 3.9Å; F29-W100 HydrophobicContact CE1-CE3 4.07Å; F29-W100 AromaticContact CE1-CH2 3.63Å; F29-W100 HydrophobicContact CE1-CH2 3.63Å; F29-W100 AromaticContact CE1-CZ2 3.67Å; F29-W100 HydrophobicContact CE1-CZ2 3.67Å; F29-W100 AromaticContact CE1-CZ3 3.83Å; F29-W100 HydrophobicContact CE1-CZ3 3.83Å; F29-W100 AromaticContact CE2-CD2 3.88Å; F29-W100 HydrophobicContact CE2-CD2 3.88Å; F29-W100 HydrophobicContact CE2-CE3 4.24Å; F29-W100 HydrophobicContact CE2-CG 4.11Å; F29-W100 HydrophobicContact CG-CD2 4.19Å; F29-W100 AromaticContact CG-CE2 3.57Å; F29-W100 AromaticContact CG-CZ2 3.82Å; F29-W100 HydrophobicContact CG-CZ2 3.82Å; F29-W100 AromaticContact CG-NE1 3.58Å; F29-W100 AromaticContact CZ-CD2 3.94Å; F29-W100 HydrophobicContact CZ-CD2 3.94Å; F29-W100 AromaticContact CZ-CE3 3.87Å; F29-W100 HydrophobicContact CZ-CE3 3.87Å; F29-W100 HydrophobicContact CZ-CH2 4.28Å; F29-W100 HydrophobicContact CZ-CZ2 4.34Å; F29-W100 HydrophobicContact CZ-CZ3 4.05Å
30E81.9Confident88Confident21 Ų2167.5 Ų67.510%0.09834%0.344CS..Hα-helixtrans-64.8-50.2-176.1-63.1173.6-168.500112D28 S33 Q34 L279 V280D28-E30 VanDerWaalsContact C-N 3.28Å; D28-E30 PolarHBondContact O-N 3.48Å; E30-S33 PolarHBondContact O-OG 3.48Å; E30-Q34 PolarHBondContact O-NE2 3.17Å; E30-L279 WeakPolarHBondContact OE1-CA 3.5Å; E30-L279 WeakPolarHBondContact OE1-CB 3.3Å; E30-L279 PolarHBondContact OE1-N 2.9Å; E30-L279 WeakPolarHBondContact OE2-CB 3.48Å; E30-V280 HydrophobicContact CG-CB 4.13Å; E30-V280 HydrophobicContact CG-CG2 3.81Å; E30-V280 PolarHBondContact OE1-N 2.93Å
31Y82.6Confident87.9Confident133 Ų13371.6 Ų71.652%0.52236%0.356SS..Hα-helixtrans-69.6-41.5178.4-57.7-70.8000111D28 S33 Q34 L35D28-Y31 PolarHBondContact O-N 2.9Å; Y31-S33 PolarHBondContact O-N 2.93Å; Y31-Q34 PolarHBondContact O-N 2.8Å; Y31-L35 WeakPolarHBondContact O-CB 3.43Å; Y31-L35 WeakPolarHBondContact O-CG 3.39Å; Y31-L35 PolarHBondContact O-N 3.05Å
32G81.4Confident87.7Confident7 Ų773.1 Ų73.17%0.07237%0.369CS..Hα-helixtrans-59.9-31.2178.100000113.6D28 Q34 L40 W43D28-G32 WeakPolarHBondContact O-CA 3.43Å; D28-G32 PolarHBondContact O-N 3.34Å; G32-Q34 VanDerWaalsContact C-N 3.3Å; G32-Q34 PolarHBondContact O-N 3.44Å; G32-L40 VanDerWaalsContact CA-CD1 3.44Å; G32-W43 VanDerWaalsContact O-CH2 3.27Å; G32-W43 WeakPolarHBondContact O-CH2 3.48Å; G32-W43 VanDerWaalsContact O-CZ3 3.26Å; G32-W43 WeakPolarHBondContact O-CZ3 3.38Å
33S78Confident87.7Confident76 Ų7672.5 Ų72.553%0.53137%0.366SS..THydrogen-bonded Turntrans-75.4-16175.573.60000114.4F29 E30 Y31F29-S33 WeakPolarHBondContact O-CB 3.23Å; F29-S33 PolarHBondContact O-N 3.31Å; F29-S33 PolarHBondContact O-OG 2.79Å; E30-S33 PolarHBondContact O-OG 3.48Å; Y31-S33 PolarHBondContact O-N 2.93Å
34Q81.6Confident87.8Confident160 Ų16069 Ų6975%0.74835%0.351SS*.THydrogen-bonded Turntrans-118.5-22.7-172.2-63.3178.747.200113.9E30 Y31 G32E30-Q34 PolarHBondContact O-NE2 3.17Å; Y31-Q34 PolarHBondContact O-N 2.8Å; G32-Q34 VanDerWaalsContact C-N 3.3Å; G32-Q34 PolarHBondContact O-N 3.44Å
35L85.8Confident87.9Confident79 Ų7973.2 Ų73.241%0.41437%0.365SS..SBendtrans-104.8152.4-175.5-63.7179.3000112.2Y31 E37 L40Y31-L35 WeakPolarHBondContact O-CB 3.43Å; Y31-L35 WeakPolarHBondContact O-CG 3.39Å; Y31-L35 PolarHBondContact O-N 3.05Å; L35-E37 PolarHBondContact O-N 3.29Å; L35-L40 HydrophobicContact CB-CD1 4.2Å; L35-L40 HydrophobicContact CD1-CD1 4.28Å
36P86.5Confident88.1Confident80 Ų8072.7 Ų72.752%0.51936%0.363SS..  trans-54.9132.1171.1-25.834.1000112.4C38 L39P36-C38 PolarHBondContact O-N 2.77Å; P36-L39 HydrophobicContact CG-CD1 4.45Å; P36-L39 WeakPolarHBondContact O-CB 3.29Å; P36-L39 PolarHBondContact O-N 3.33Å
37E86.3Confident88.3Confident70 Ų7074.1 Ų74.133%0.32737%0.369SS..G310 helixtrans-56.7-26.4-175.2-68.4-165.3-179.400114L35 L39 L40 S44 K47L35-E37 PolarHBondContact O-N 3.29Å; E37-L39 PolarHBondContact O-N 2.86Å; E37-L40 CarbonylContact O-C 3.38Å; E37-L40 PolarHBondContact O-N 2.84Å; E37-L40 VanDerWaalsContact O-N 3.15Å; E37-S44 PolarHBondContact OE2-OG 3.06Å; E37-K47 IonicContact OE1-NZ 3.14Å; E37-K47 PolarHBondContact OE1-NZ 3.08Å
38C85.7Confident88.6Confident92 Ų9273.8 Ų73.862%0.62237%0.366SS*.G310 helixtrans-64.3-23.1178.7630000113.6P36 R41P36-C38 PolarHBondContact O-N 2.77Å; C38-R41 WeakPolarHBondContact O-CG 3.33Å
39L89.6Confident89Confident118 Ų11873.9 Ų73.962%0.61836%0.362SS*.G310 helixtrans-82-24177.1-59.3-179.5000112.3P36 E37P36-L39 HydrophobicContact CG-CD1 4.45Å; P36-L39 WeakPolarHBondContact O-CB 3.29Å; P36-L39 PolarHBondContact O-N 3.33Å; E37-L39 PolarHBondContact O-N 2.86Å
40L90.9Very high89.4Confident29 Ų2972.3 Ų72.315%0.15236%0.355CS..  trans-121.361.8-176.6-63.7170.3000110.2G32 L35 E37 N42 W43 S44G32-L40 VanDerWaalsContact CA-CD1 3.44Å; L35-L40 HydrophobicContact CB-CD1 4.2Å; L35-L40 HydrophobicContact CD1-CD1 4.28Å; E37-L40 CarbonylContact O-C 3.38Å; E37-L40 PolarHBondContact O-N 2.84Å; E37-L40 VanDerWaalsContact O-N 3.15Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3Å; L40-W43 HydrophobicContact CB-CB 3.97Å; L40-W43 PolarHBondContact O-N 2.87Å; L40-S44 WeakPolarHBondContact O-CB 3.44Å; L40-S44 PolarHBondContact O-N 3.1Å
41R91.9Very high90.1Very high186 Ų18673 Ų7370%0.70236%0.36SS*.Hα-helixtrans-57.5-40.1-172.4-65.1-176.6-177.9-174.1-0.8113.2C38 K45C38-R41 WeakPolarHBondContact O-CG 3.33Å; R41-K45 WeakPolarHBondContact O-CB 3.24Å; R41-K45 VanDerWaalsContact O-CG 3.24Å; R41-K45 WeakPolarHBondContact O-CG 3.39Å; R41-K45 PolarHBondContact O-N 3.2Å
42N92.8Very high90.7Very high104 Ų10472.5 Ų72.556%0.55636%0.362SS*.Hα-helixtrans-71.4-42.1-179.2-68.5-16.9000111.5V24 L40 K45 S46V24-N42 HydrophobicContact CG1-CB 3.89Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3Å; N42-K45 PolarHBondContact O-N 3.3Å; N42-S46 PolarHBondContact O-N 3.04Å; N42-S46 PolarHBondContact O-OG 3.28Å
43W94.2Very high91.3Very high8 Ų873.8 Ų73.83%0.0337%0.367CS..Hα-helixtrans-62.1-46.8173.1-174.883.3000112.1Y25 D28 G32 L40 K45 S46 K47Y25-W43 AromaticContact CD2-CE2 3.85Å; Y25-W43 HydrophobicContact CD2-CZ2 4.19Å; Y25-W43 AromaticContact CD2-NE1 3.51Å; Y25-W43 AromaticContact CE2-CE2 3.76Å; Y25-W43 HydrophobicContact CE2-CH2 4.47Å; Y25-W43 AromaticContact CE2-CZ2 3.61Å; Y25-W43 HydrophobicContact CE2-CZ2 3.61Å; Y25-W43 AromaticContact CE2-NE1 3.8Å; Y25-W43 VanDerWaalsContact O-CD1 3.23Å; Y25-W43 PolarHBondContact O-NE1 3.03Å; D28-W43 HydrophobicContact CB-CB 3.85Å; D28-W43 HydrophobicContact CB-CG 3.78Å; G32-W43 VanDerWaalsContact O-CH2 3.27Å; G32-W43 WeakPolarHBondContact O-CH2 3.48Å; G32-W43 VanDerWaalsContact O-CZ3 3.26Å; G32-W43 WeakPolarHBondContact O-CZ3 3.38Å; L40-W43 HydrophobicContact CB-CB 3.97Å; L40-W43 PolarHBondContact O-N 2.87Å; W43-K45 VanDerWaalsContact C-N 3.34Å; W43-K45 PolarHBondContact O-N 3.17Å; W43-S46 WeakPolarHBondContact O-CB 3.45Å; W43-S46 PolarHBondContact O-N 3.13Å; W43-K47 HydrophobicContact CE3-CD 4.47Å; W43-K47 HydrophobicContact CH2-CD 3.68Å; W43-K47 HydrophobicContact CZ2-CD 4.46Å; W43-K47 HydrophobicContact CZ3-CD 3.67Å; W43-K47 WeakPolarHBondContact O-CB 3.17Å; W43-K47 PolarHBondContact O-N 3.46Å
44S93.9Very high92Very high10 Ų1070.2 Ų70.27%0.0734%0.342CS..Hα-helixtrans-60.8-41177.2174.30000111.9E37 L40 S46 K47 K48E37-S44 PolarHBondContact OE2-OG 3.06Å; L40-S44 WeakPolarHBondContact O-CB 3.44Å; L40-S44 PolarHBondContact O-N 3.1Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.43Å; S44-K47 PolarHBondContact O-N 2.81Å; S44-K48 WeakPolarHBondContact O-CB 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 2.79Å
45K95.3Very high92.6Very high134 Ų13468.9 Ų68.958%0.58334%0.336SS*.Hα-helixtrans-59.2-44.5171.9-77.3171.3177.1179.90111.8R41 N42 W43 K48 W49R41-K45 WeakPolarHBondContact O-CB 3.24Å; R41-K45 VanDerWaalsContact O-CG 3.24Å; R41-K45 WeakPolarHBondContact O-CG 3.39Å; R41-K45 PolarHBondContact O-N 3.2Å; N42-K45 PolarHBondContact O-N 3.3Å; W43-K45 VanDerWaalsContact C-N 3.34Å; W43-K45 PolarHBondContact O-N 3.17Å; K45-K48 PolarHBondContact O-N 3.11Å; K45-W49 WeakPolarHBondContact O-CB 3.29Å; K45-W49 PolarHBondContact O-N 3.14Å
46S96.1Very high92.9Very high4 Ų473 Ų733%0.02835%0.351CS..Hα-helixtrans-66.8-43.7179.8-53.70000112.1Y21 V24 N42 W43 S44 K48 W49 F50Y21-S46 WeakPolarHBondContact O-CB 3.46Å; V24-S46 WeakPolarHBondContact CB-OG 3.44Å; V24-S46 VanDerWaalsContact CG1-OG 3.25Å; V24-S46 WeakPolarHBondContact CG1-OG 3.1Å; N42-S46 PolarHBondContact O-N 3.04Å; N42-S46 PolarHBondContact O-OG 3.28Å; W43-S46 WeakPolarHBondContact O-CB 3.45Å; W43-S46 PolarHBondContact O-N 3.13Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.43Å; S46-K48 PolarHBondContact O-N 3.21Å; S46-W49 WeakPolarHBondContact O-CB 3.34Å; S46-W49 PolarHBondContact O-N 3.13Å; S46-F50 WeakPolarHBondContact O-CD2 3.41Å; S46-F50 PolarHBondContact O-N 3.25Å
47K95.4Very high93.1Very high44 Ų4470.5 Ų70.519%0.19133%0.333CS..Hα-helixtrans-55.7-51.3172.4178.5-176.5170.4-1700111.1Y25 E37 W43 S44 W49 F50 L51 L96Y25-K47 HydrophobicContact CD2-CB 4.02Å; Y25-K47 HydrophobicContact CE2-CB 3.87Å; Y25-K47 HydrophobicContact CE2-CG 4.13Å; E37-K47 IonicContact OE1-NZ 3.14Å; E37-K47 PolarHBondContact OE1-NZ 3.08Å; W43-K47 HydrophobicContact CE3-CD 4.47Å; W43-K47 HydrophobicContact CH2-CD 3.68Å; W43-K47 HydrophobicContact CZ2-CD 4.46Å; W43-K47 HydrophobicContact CZ3-CD 3.67Å; W43-K47 WeakPolarHBondContact O-CB 3.17Å; W43-K47 PolarHBondContact O-N 3.46Å; S44-K47 PolarHBondContact O-N 2.81Å; K47-W49 VanDerWaalsContact C-N 3.34Å; K47-W49 PolarHBondContact O-N 3.13Å; K47-F50 PolarHBondContact O-N 3.28Å; K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 HydrophobicContact CG-CG 4.45Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 2.92Å; K47-L96 HydrophobicContact CG-CD2 4.19Å
48K95.6Very high93.3Very high110 Ų11068 Ų6848%0.47832%0.321SS..Hα-helixtrans-59.3-44.6178.9-75.1174-178.5177.50112S44 K45 S46 F50 L51 E52S44-K48 WeakPolarHBondContact O-CB 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 2.79Å; K45-K48 PolarHBondContact O-N 3.11Å; S46-K48 PolarHBondContact O-N 3.21Å; K48-F50 VanDerWaalsContact C-N 3.3Å; K48-F50 PolarHBondContact O-N 2.81Å; K48-L51 PolarHBondContact O-N 2.99Å; K48-L51 VanDerWaalsContact O-N 3.16Å; K48-E52 WeakPolarHBondContact O-CG 3.3Å; K48-E52 PolarHBondContact O-N 2.94Å
49W96.6Very high93.5Very high53 Ų5367.4 Ų67.420%0.20132%0.316CS..Hα-helixtrans-56.8-43.4176.3-173.692.2000112.3E17 F18 Y21 K45 S46 K47 L53E17-W49 HydrophobicContact CG-CZ2 4.3Å; F18-W49 HydrophobicContact CB-CH2 4.16Å; F18-W49 AromaticContact CD2-CH2 3.95Å; F18-W49 HydrophobicContact CD2-CH2 3.95Å; F18-W49 AromaticContact CD2-CZ3 3.96Å; F18-W49 HydrophobicContact CD2-CZ3 3.96Å; F18-W49 HydrophobicContact CG-CH2 4.47Å; Y21-W49 HydrophobicContact CD1-CB 4.1Å; Y21-W49 HydrophobicContact CD1-CD2 4.47Å; Y21-W49 HydrophobicContact CD1-CG 4.14Å; Y21-W49 AromaticContact CD2-CD1 3.96Å; Y21-W49 AromaticContact CD2-CD2 3.51Å; Y21-W49 HydrophobicContact CD2-CD2 3.51Å; Y21-W49 AromaticContact CD2-CE2 3.56Å; Y21-W49 AromaticContact CD2-CE3 3.95Å; Y21-W49 HydrophobicContact CD2-CE3 3.95Å; Y21-W49 AromaticContact CD2-CG 3.8Å; Y21-W49 HydrophobicContact CD2-CG 3.8Å; Y21-W49 HydrophobicContact CD2-CH2 4.45Å; Y21-W49 HydrophobicContact CD2-CZ2 4.06Å; Y21-W49 HydrophobicContact CD2-CZ3 4.4Å; Y21-W49 AromaticContact CD2-NE1 3.8Å; Y21-W49 HydrophobicContact CE1-CB 4.04Å; Y21-W49 HydrophobicContact CE1-CG 4.05Å; Y21-W49 AromaticContact CE2-CD1 3.45Å; Y21-W49 VanDerWaalsContact CE2-CD1 3.45Å; Y21-W49 AromaticContact CE2-CD2 3.84Å; Y21-W49 HydrophobicContact CE2-CD2 3.84Å; Y21-W49 AromaticContact CE2-CE2 3.65Å; Y21-W49 AromaticContact CE2-CG 3.72Å; Y21-W49 HydrophobicContact CE2-CG 3.72Å; Y21-W49 HydrophobicContact CE2-CZ2 4.38Å; Y21-W49 AromaticContact CE2-NE1 3.36Å; Y21-W49 HydrophobicContact CG-CB 4.35Å; Y21-W49 AromaticContact CG-CD2 3.86Å; Y21-W49 HydrophobicContact CG-CD2 3.86Å; Y21-W49 HydrophobicContact CG-CE3 4.03Å; Y21-W49 HydrophobicContact CG-CG 4Å; Y21-W49 AromaticContact CZ-CD1 3.56Å; Y21-W49 AromaticContact CZ-CG 3.84Å; Y21-W49 AromaticContact CZ-NE1 3.96Å; K45-W49 WeakPolarHBondContact O-CB 3.29Å; K45-W49 PolarHBondContact O-N 3.14Å; S46-W49 WeakPolarHBondContact O-CB 3.34Å; S46-W49 PolarHBondContact O-N 3.13Å; K47-W49 VanDerWaalsContact C-N 3.34Å; K47-W49 PolarHBondContact O-N 3.13Å; W49-L53 HydrophobicContact CH2-CD2 4.14Å; W49-L53 HydrophobicContact CZ3-CD2 3.86Å; W49-L53 WeakPolarHBondContact O-CB 3.28Å; W49-L53 PolarHBondContact O-N 2.9Å
50F95.9Very high93.4Very high0 Ų066.5 Ų66.50%031%0.312CS..Hα-helixtrans-69.9-38.8175.7-77.4-64.8000113.5F18 F22 Y25 S46 K47 K48 E52 L53 F54 L96 L99F18-F50 HydrophobicContact CD2-CE1 4.02Å; F18-F50 HydrophobicContact CE2-CD1 4.43Å; F18-F50 AromaticContact CE2-CE1 3.62Å; F18-F50 HydrophobicContact CE2-CE1 3.62Å; F18-F50 AromaticContact CZ-CE1 3.89Å; F18-F50 HydrophobicContact CZ-CE1 3.89Å; F22-F50 HydrophobicContact CB-CE2 4.42Å; F22-F50 HydrophobicContact CB-CZ 3.82Å; F22-F50 HydrophobicContact CD2-CZ 4.1Å; F22-F50 HydrophobicContact CG-CZ 4.49Å; Y25-F50 HydrophobicContact CG-CD2 4.36Å; Y25-F50 HydrophobicContact CG-CE2 4.39Å; S46-F50 WeakPolarHBondContact O-CD2 3.41Å; S46-F50 PolarHBondContact O-N 3.25Å; K47-F50 PolarHBondContact O-N 3.28Å; K48-F50 VanDerWaalsContact C-N 3.3Å; K48-F50 PolarHBondContact O-N 2.81Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-L53 HydrophobicContact CD1-CD2 4.19Å; F50-L53 WeakPolarHBondContact O-CB 3.19Å; F50-L53 PolarHBondContact O-N 3.24Å; F50-F54 VanDerWaalsContact O-CD2 3.28Å; F50-F54 WeakPolarHBondContact O-CD2 3.44Å; F50-F54 PolarHBondContact O-N 3.16Å; F50-L96 HydrophobicContact CB-CD1 3.66Å; F50-L96 HydrophobicContact CB-CD2 4.04Å; F50-L96 HydrophobicContact CB-CG 4.34Å; F50-L96 HydrophobicContact CD1-CD1 4.47Å; F50-L96 HydrophobicContact CD2-CD1 4.02Å; F50-L96 HydrophobicContact CG-CD1 3.81Å; F50-L99 HydrophobicContact CD1-CD2 3.76Å; F50-L99 HydrophobicContact CE1-CD2 3.66Å; F50-L99 HydrophobicContact CZ-CD2 4.46Å
51L95.9Very high93.2Very high36 Ų3665.1 Ų65.119%0.18831%0.305CS..Hα-helixtrans-61.8-44.9176.9-68.3174.4000110.6K47 K48 L53 F54 E55 P92 N93 L96K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 HydrophobicContact CG-CG 4.45Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 2.92Å; K48-L51 PolarHBondContact O-N 2.99Å; K48-L51 VanDerWaalsContact O-N 3.16Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.75Å; L51-F54 PolarHBondContact O-N 3.25Å; L51-E55 VanDerWaalsContact O-CB 3.29Å; L51-E55 WeakPolarHBondContact O-CB 3.44Å; L51-E55 PolarHBondContact O-N 3.3Å; L51-P92 HydrophobicContact CD2-CB 3.99Å; L51-N93 WeakPolarHBondContact CD2-OD1 3.23Å; L51-L96 HydrophobicContact CD2-CB 4.47Å; L51-L96 HydrophobicContact CD2-CD2 4.06Å; L51-L96 HydrophobicContact CG-CD2 4.26Å
52E95.4Very high92.8Very high122 Ų12259.6 Ų59.657%0.5729%0.286SS*.Hα-helixtrans-62.2-40.1174-70.9171.4-166.700111.9K48 F50 K56K48-E52 WeakPolarHBondContact O-CG 3.3Å; K48-E52 PolarHBondContact O-N 2.94Å; F50-E52 VanDerWaalsContact C-N 3.34Å; E52-K56 VanDerWaalsContact O-CB 3.27Å; E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 PolarHBondContact O-N 3.14Å
53L93.6Very high92.3Very high35 Ų3558.2 Ų58.218%0.18329%0.289CS..Hα-helixtrans-58.8-49.5174.1179.972.3000110.7F18 W49 F50 L51 N57F18-L53 HydrophobicContact CD2-CD2 4.23Å; F18-L53 HydrophobicContact CE2-CD2 4.05Å; W49-L53 HydrophobicContact CH2-CD2 4.14Å; W49-L53 HydrophobicContact CZ3-CD2 3.86Å; W49-L53 WeakPolarHBondContact O-CB 3.28Å; W49-L53 PolarHBondContact O-N 2.9Å; F50-L53 HydrophobicContact CD1-CD2 4.19Å; F50-L53 WeakPolarHBondContact O-CB 3.19Å; F50-L53 PolarHBondContact O-N 3.24Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 2.75Å; L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.14Å; L53-N57 PolarHBondContact O-ND2 3.12Å
54F93.8Very high91.2Very high1 Ų160.5 Ų60.50%0.00431%0.306CS..Hα-helixtrans-67.9-45.6179.7-83.5-71.6000112.1F3 L7 F50 L51 K56 N57 I58 L75 P92 G95 L96 L99F3-F54 HydrophobicContact CE1-CE1 4.45Å; F3-F54 HydrophobicContact CE1-CZ 4.41Å; L7-F54 HydrophobicContact CD1-CE1 4.47Å; L7-F54 HydrophobicContact CD2-CE1 3.93Å; L7-F54 HydrophobicContact CD2-CZ 4.26Å; F50-F54 VanDerWaalsContact O-CD2 3.28Å; F50-F54 WeakPolarHBondContact O-CD2 3.44Å; F50-F54 PolarHBondContact O-N 3.16Å; L51-F54 PolarHBondContact O-N 3.25Å; F54-K56 VanDerWaalsContact C-N 3.27Å; F54-K56 PolarHBondContact O-N 2.94Å; F54-N57 PolarHBondContact O-N 2.86Å; F54-I58 HydrophobicContact CB-CD1 4.22Å; F54-I58 WeakPolarHBondContact O-CB 3.29Å; F54-I58 WeakPolarHBondContact O-CD1 3.36Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 2.91Å; F54-L75 HydrophobicContact CE1-CD2 4.13Å; F54-P92 HydrophobicContact CB-CB 3.98Å; F54-G95 VanDerWaalsContact CE2-C 3.41Å; F54-G95 WeakPolarHBondContact CZ-O 3.36Å; F54-L96 HydrophobicContact CD2-CB 4.17Å; F54-L96 HydrophobicContact CE2-CB 4.19Å; F54-L99 HydrophobicContact CE2-CB 4.16Å; F54-L99 HydrophobicContact CE2-CD2 3.96Å; F54-L99 HydrophobicContact CZ-CB 3.96Å; F54-L99 HydrophobicContact CZ-CD2 4.2Å
55E93.4Very high89.9Confident131 Ų13167.2 Ų67.261%0.61233%0.334SS*.Hα-helixtrans-53.7-46.4177.8-175.5175.3-16900111.4L51 N57 P92L51-E55 VanDerWaalsContact O-CB 3.29Å; L51-E55 WeakPolarHBondContact O-CB 3.44Å; L51-E55 PolarHBondContact O-N 3.3Å; E55-N57 PolarHBondContact O-N 3.23Å; E55-P92 HydrophobicContact CB-CG 4.05Å
56K92.7Very high88.1Confident167 Ų16763 Ų6373%0.72632%0.321SS*.Hα-helixtrans-64.6-36.9177.8-176.6176.6179.8174.50113.4E52 F54E52-K56 VanDerWaalsContact O-CB 3.27Å; E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 PolarHBondContact O-N 3.14Å; F54-K56 VanDerWaalsContact C-N 3.27Å; F54-K56 PolarHBondContact O-N 2.94Å
57N91Very high86Confident27 Ų2768.3 Ų68.314%0.14437%0.365CS..Hα-helixtrans-98.4-14.8-170.5-71.3-85.9000114L7 L53 F54 E55 D60 I61L7-N57 HydrophobicContact CD1-CB 3.97Å; L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.14Å; L53-N57 PolarHBondContact O-ND2 3.12Å; F54-N57 PolarHBondContact O-N 2.86Å; E55-N57 PolarHBondContact O-N 3.23Å; N57-D60 PolarHBondContact O-N 3.47Å; N57-I61 HydrophobicContact CB-CD1 4.09Å; N57-I61 WeakPolarHBondContact O-CB 3.27Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.25Å; N57-I61 WeakPolarHBondContact O-CG1 3.11Å; N57-I61 PolarHBondContact O-N 3.37Å
58I90.1Very high84.1Confident16 Ų1676 Ų768%0.08240%0.398CS..Hα-helixtrans-55.2-45.2-179.3-82.9157.8000112.6F54 D60 I61 K62 L79 P92F54-I58 HydrophobicContact CB-CD1 4.22Å; F54-I58 WeakPolarHBondContact O-CB 3.29Å; F54-I58 WeakPolarHBondContact O-CD1 3.36Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 2.91Å; I58-D60 VanDerWaalsContact C-N 3.31Å; I58-D60 PolarHBondContact O-N 2.76Å; I58-I61 WeakPolarHBondContact O-CB 3.44Å; I58-I61 PolarHBondContact O-N 3.13Å; I58-K62 HydrophobicContact CG2-CD 4.1Å; I58-K62 HydrophobicContact CG2-CG 4.41Å; I58-K62 WeakPolarHBondContact O-CG 3.46Å; I58-K62 PolarHBondContact O-N 3.01Å; I58-L79 HydrophobicContact CD1-CD2 4.35Å; I58-L79 HydrophobicContact CG1-CD1 4.15Å; I58-L79 HydrophobicContact CG1-CD2 4.35Å; I58-L79 HydrophobicContact CG2-CD1 4.43Å; I58-P92 HydrophobicContact CD1-CB 4.38Å; I58-P92 HydrophobicContact CD1-CG 3.88Å
59P88.9Confident82.3Confident81 Ų8176.9 Ų76.953%0.52641%0.408SS..Hα-helixtrans-56.2-45.1177-26.635.8000112.7K62 A63P59-K62 PolarHBondContact O-N 3.28Å; P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 3.32Å
60D87.5Confident80.6Confident98 Ų9880.5 Ų80.552%0.52443%0.432SS..Hα-helixtrans-69.4-38.4178.3-68.3-18.2000112.1N57 I58 K62 A63 C64N57-D60 PolarHBondContact O-N 3.47Å; I58-D60 VanDerWaalsContact C-N 3.31Å; I58-D60 PolarHBondContact O-N 2.76Å; D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 3.23Å; D60-A63 PolarHBondContact O-N 2.93Å; D60-C64 WeakPolarHBondContact O-CB 3.45Å; D60-C64 PolarHBondContact O-N 2.96Å; D60-C64 VanDerWaalsContact O-N 3.09Å
61I86.8Confident79.5Confident0 Ų083.7 Ų83.70%045%0.454CS..Hα-helixtrans-57.6-45.8173.5-72.1160000109.3L7 N57 I58 L75 Q76 L79L7-I61 HydrophobicContact CD1-CD1 4.13Å; N57-I61 HydrophobicContact CB-CD1 4.09Å; N57-I61 WeakPolarHBondContact O-CB 3.27Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.25Å; N57-I61 WeakPolarHBondContact O-CG1 3.11Å; N57-I61 PolarHBondContact O-N 3.37Å; I58-I61 WeakPolarHBondContact O-CB 3.44Å; I58-I61 PolarHBondContact O-N 3.13Å; I61-L75 HydrophobicContact CD1-CD2 3.85Å; I61-L75 HydrophobicContact CG2-CD2 4.02Å; I61-L75 HydrophobicContact CG2-CG 4.3Å; I61-Q76 HydrophobicContact CG2-CG 3.89Å; I61-Q76 WeakPolarHBondContact O-CG 3.39Å; I61-Q76 PolarHBondContact O-NE2 2.79Å; I61-L79 HydrophobicContact CG2-CD1 4.03Å
62K84.3Confident78.8Confident71 Ų7186.8 Ų86.831%0.30947%0.469SS..Hα-helixtrans-71.8-37.8-179.7-67.4-175.275171.10112.9I58 P59 D60 C64 L79 D80 E83I58-K62 HydrophobicContact CG2-CD 4.1Å; I58-K62 HydrophobicContact CG2-CG 4.41Å; I58-K62 WeakPolarHBondContact O-CG 3.46Å; I58-K62 PolarHBondContact O-N 3.01Å; P59-K62 PolarHBondContact O-N 3.28Å; D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 3.23Å; K62-C64 VanDerWaalsContact C-N 3.28Å; K62-C64 PolarHBondContact O-N 2.87Å; K62-L79 HydrophobicContact CG-CD1 4.43Å; K62-D80 VanDerWaalsContact CE-OD1 3.31Å; K62-D80 WeakPolarHBondContact CE-OD1 3.28Å; K62-D80 IonicContact NZ-OD1 3.6Å; K62-E83 IonicContact NZ-OE1 2.84Å; K62-E83 PolarHBondContact NZ-OE1 3.37Å; K62-E83 IonicContact NZ-OE2 2.69Å; K62-E83 PolarHBondContact NZ-OE2 3.38Å
63A82.3Confident78.4Confident75 Ų7581.8 Ų81.862%0.6245%0.446SS*.Hα-helixtrans-68.9-26.1-179.800000113.1P59 D60 K65P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 3.32Å; D60-A63 PolarHBondContact O-N 2.93Å; A63-K65 PolarHBondContact O-N 3.41Å
64C71.5Confident78.1Confident56 Ų5683 Ų8338%0.37845%0.453SS..  trans-76.397.8-176.1-160.60000112.4N4 D60 K62 Q76N4-C64 WeakPolarHBondContact ND2-CB 3.14Å; N4-C64 PolarHBondContact ND2-SG 2.92Å; D60-C64 WeakPolarHBondContact O-CB 3.45Å; D60-C64 PolarHBondContact O-N 2.96Å; D60-C64 VanDerWaalsContact O-N 3.09Å; K62-C64 VanDerWaalsContact C-N 3.28Å; K62-C64 PolarHBondContact O-N 2.87Å; C64-Q76 PolarHBondContact O-NE2 2.76Å
65K64.8Low77.9Confident151 Ų15183 Ų8366%0.65745%0.453SS*.  trans-88.6139169.6-63-175.4179.1-176.50109.9A63 A67A63-K65 PolarHBondContact O-N 3.41Å; K65-A67 PolarHBondContact O-N 3.41Å
66S57.6Low77.8Confident45 Ų4577.3 Ų77.332%0.31543%0.426SS..  trans-64.8127.8174.5770000109.6K68 S71S66-K68 PolarHBondContact O-N 3.34Å; S66-S71 PolarHBondContact OG-N 2.96Å; S66-S71 PolarHBondContact OG-OG 3.49Å
67A53.8Low77.6Confident115 Ų11571 Ų7195%0.9541%0.405SS*.THydrogen-bonded Turntrans-65.8-4.1-175.100000114.5K65K65-A67 PolarHBondContact O-N 3.41Å
68K54.8Low77.5Confident206 Ų20671.2 Ų71.290%0.89641%0.408SS*.THydrogen-bonded Turntrans-120.7-14.5-173.1-100.6-174.5174.7-1740115.8S66S66-K68 PolarHBondContact O-N 3.34Å
69D57.7Low77.5Confident129 Ų12970.5 Ų70.569%0.6940%0.404SS*.THydrogen-bonded Turntrans-160.815.3-172.4-144.77.5000117.4S71D69-S71 PolarHBondContact O-N 3.28Å
70N61.2Low77.5Confident129 Ų12969.6 Ų69.669%0.6940%0.395SS*.  trans5311.5-175.7-117.612.3000114.8
71S72.1Confident77.5Confident67 Ų6770 Ų7047%0.46940%0.396SS..PPolyproline II helixtrans-72.4132.6-174.650.40000111.1S66 D69S66-S71 PolarHBondContact OG-N 2.96Å; S66-S71 PolarHBondContact OG-OG 3.49Å; D69-S71 PolarHBondContact O-N 3.28Å
72M81.3Confident77.6Confident101 Ų10170.4 Ų70.450%0.49840%0.398SS..PPolyproline II helixtrans-90.5146.3178.3-66.3172.867.900110.9Q76 A77 D80M72-Q76 HydrophobicContact CB-CB 4.26Å; M72-Q76 HydrophobicContact CE-CB 3.88Å; M72-A77 HydrophobicContact CE-CB 4.28Å; M72-D80 WeakPolarHBondContact CE-OD2 3.44Å
73T87.8Confident77.8Confident16 Ų1668.8 Ų68.810%0.09839%0.391CS..PPolyproline II helixtrans-70.8157.8164.461.90000110.6M1 L75 Q76 A77M1-T73 HydrophobicContact CB-CG2 4.48Å; M1-T73 VanDerWaalsContact O-CA 3.3Å; M1-T73 WeakPolarHBondContact O-CA 3.32Å; M1-T73 VanDerWaalsContact O-CB 3.31Å; M1-T73 WeakPolarHBondContact O-CB 3.04Å; T73-L75 PolarHBondContact O-N 3.09Å; T73-Q76 PolarHBondContact O-N 3.36Å; T73-Q76 VanDerWaalsContact O-N 3.15Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.27Å; T73-Q76 VanDerWaalsContact OG1-CG 3.23Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.48Å; T73-Q76 PolarHBondContact OG1-N 3.46Å; T73-Q76 VanDerWaalsContact OG1-N 3.16Å; T73-Q76 PolarHBondContact OG1-OE1 3.45Å; T73-A77 PolarHBondContact O-N 2.87Å
74L87.4Confident78Confident61 Ų6170.5 Ų70.532%0.31939%0.394SS..Hα-helixtrans-61.8-35.5176.4-177.762000111.4M1 L2 T78M1-L74 PolarHBondContact O-N 3.06Å; L2-L74 HydrophobicContact CD1-CB 4.05Å; L2-L74 HydrophobicContact CD1-CD2 3.77Å; L2-L74 HydrophobicContact CD1-CG 4.26Å; L74-T78 WeakPolarHBondContact O-CB 3.48Å; L74-T78 PolarHBondContact O-N 2.84Å; L74-T78 PolarHBondContact O-OG1 3.4Å
75L89.8Confident78.7Confident1 Ų175 Ų751%0.00541%0.41CS..Hα-helixtrans-62.2-46.8173.1177.961.3000111.7L2 F3 F54 I61 T73 A77 T78 L79 L98L2-L75 WeakPolarHBondContact O-CB 3.32Å; L2-L75 PolarHBondContact O-N 2.99Å; F3-L75 HydrophobicContact CD1-CB 4.29Å; F3-L75 HydrophobicContact CD1-CD2 3.62Å; F3-L75 HydrophobicContact CE1-CD2 3.9Å; F54-L75 HydrophobicContact CE1-CD2 4.13Å; I61-L75 HydrophobicContact CD1-CD2 3.85Å; I61-L75 HydrophobicContact CG2-CD2 4.02Å; I61-L75 HydrophobicContact CG2-CG 4.3Å; T73-L75 PolarHBondContact O-N 3.09Å; L75-A77 PolarHBondContact O-N 2.91Å; L75-T78 PolarHBondContact O-N 3.21Å; L75-L79 HydrophobicContact CD1-CD1 4.08Å; L75-L79 HydrophobicContact CD1-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CG 3.96Å; L75-L79 HydrophobicContact CG-CD1 3.91Å; L75-L79 HydrophobicContact CG-CG 4.25Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.06Å; L75-L98 HydrophobicContact CB-CD1 4.5Å; L75-L98 HydrophobicContact CD1-CD1 3.58Å
76Q90.1Very high79.6Confident12 Ų1271 Ų716%0.05640%0.399CS..Hα-helixtrans-59.1-47.3177.7-76.8165.7-44.600111.8I61 C64 M72 T73 T78 L79 D80I61-Q76 HydrophobicContact CG2-CG 3.89Å; I61-Q76 WeakPolarHBondContact O-CG 3.39Å; I61-Q76 PolarHBondContact O-NE2 2.79Å; C64-Q76 PolarHBondContact O-NE2 2.76Å; M72-Q76 HydrophobicContact CB-CB 4.26Å; M72-Q76 HydrophobicContact CE-CB 3.88Å; T73-Q76 PolarHBondContact O-N 3.36Å; T73-Q76 VanDerWaalsContact O-N 3.15Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.27Å; T73-Q76 VanDerWaalsContact OG1-CG 3.23Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.48Å; T73-Q76 PolarHBondContact OG1-N 3.46Å; T73-Q76 VanDerWaalsContact OG1-N 3.16Å; T73-Q76 PolarHBondContact OG1-OE1 3.45Å; Q76-T78 VanDerWaalsContact C-N 3.27Å; Q76-T78 PolarHBondContact O-N 3.26Å; Q76-L79 PolarHBondContact O-N 3.25Å; Q76-D80 PolarHBondContact O-N 3.31Å
77A89.3Confident80.7Confident35 Ų3571.2 Ų71.229%0.28940%0.4SS..Hα-helixtrans-60.8-39.417800000111.7M72 T73 L75 I81M72-A77 HydrophobicContact CE-CB 4.28Å; T73-A77 PolarHBondContact O-N 2.87Å; L75-A77 PolarHBondContact O-N 2.91Å; A77-I81 VanDerWaalsContact O-CG1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 2.99Å; A77-I81 PolarHBondContact O-N 3.11Å
78T89.3Confident81.9Confident31 Ų3172.6 Ų72.619%0.1938%0.384CS..Hα-helixtrans-66.1-44.3176.6-550000111.6L74 L75 Q76 D80 I81 V82 L98L74-T78 WeakPolarHBondContact O-CB 3.48Å; L74-T78 PolarHBondContact O-N 2.84Å; L74-T78 PolarHBondContact O-OG1 3.4Å; L75-T78 PolarHBondContact O-N 3.21Å; Q76-T78 VanDerWaalsContact C-N 3.27Å; Q76-T78 PolarHBondContact O-N 3.26Å; T78-D80 VanDerWaalsContact C-N 3.34Å; T78-D80 PolarHBondContact O-N 3.1Å; T78-I81 PolarHBondContact O-N 2.99Å; T78-V82 HydrophobicContact CG2-CG2 4.15Å; T78-V82 WeakPolarHBondContact O-CB 3.44Å; T78-V82 WeakPolarHBondContact O-CG2 3.27Å; T78-V82 PolarHBondContact O-N 3.48Å; T78-L98 HydrophobicContact CG2-CD1 3.83Å
79L90.3Very high83.3Confident0 Ų070.5 Ų70.50%038%0.378CS..Hα-helixtrans-60.8-43.7178.3-70.5172.6000111.2I58 I61 K62 L75 Q76 I81 V82 E83I58-L79 HydrophobicContact CD1-CD2 4.35Å; I58-L79 HydrophobicContact CG1-CD1 4.15Å; I58-L79 HydrophobicContact CG1-CD2 4.35Å; I58-L79 HydrophobicContact CG2-CD1 4.43Å; I61-L79 HydrophobicContact CG2-CD1 4.03Å; K62-L79 HydrophobicContact CG-CD1 4.43Å; L75-L79 HydrophobicContact CD1-CD1 4.08Å; L75-L79 HydrophobicContact CD1-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CG 3.96Å; L75-L79 HydrophobicContact CG-CD1 3.91Å; L75-L79 HydrophobicContact CG-CG 4.25Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.06Å; Q76-L79 PolarHBondContact O-N 3.25Å; L79-I81 PolarHBondContact O-N 3.3Å; L79-V82 PolarHBondContact O-N 2.85Å; L79-E83 WeakPolarHBondContact O-CB 3.37Å; L79-E83 VanDerWaalsContact O-CG 3.3Å; L79-E83 WeakPolarHBondContact O-CG 3.43Å; L79-E83 PolarHBondContact O-N 3.26Å
80D88.8Confident84.7Confident63 Ų6367.3 Ų67.334%0.33736%0.361SS..Hα-helixtrans-64-39.6179-73.4-11.4000112.4K62 M72 Q76 T78 T84K62-D80 VanDerWaalsContact CE-OD1 3.31Å; K62-D80 WeakPolarHBondContact CE-OD1 3.28Å; K62-D80 IonicContact NZ-OD1 3.6Å; M72-D80 WeakPolarHBondContact CE-OD2 3.44Å; Q76-D80 PolarHBondContact O-N 3.31Å; T78-D80 VanDerWaalsContact C-N 3.34Å; T78-D80 PolarHBondContact O-N 3.1Å; D80-T84 WeakPolarHBondContact O-CB 3.33Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.1Å
81I87.9Confident86.2Confident106 Ų10661.3 Ų61.354%0.54433%0.329SS..Hα-helixtrans-65-48.4173.4-66.5166000110.8A77 T78 L79 E83 T84 E85A77-I81 VanDerWaalsContact O-CG1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 2.99Å; A77-I81 PolarHBondContact O-N 3.11Å; T78-I81 PolarHBondContact O-N 2.99Å; L79-I81 PolarHBondContact O-N 3.3Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 2.83Å; I81-T84 PolarHBondContact O-N 2.85Å; I81-T84 VanDerWaalsContact O-N 3.11Å; I81-E85 HydrophobicContact CG2-CG 4.06Å; I81-E85 WeakPolarHBondContact O-CB 3.26Å; I81-E85 WeakPolarHBondContact O-CG 3.19Å; I81-E85 PolarHBondContact O-N 3.27Å
82V88Confident87.2Confident8 Ų858.9 Ų58.95%0.04831%0.312CS..Hα-helixtrans-60.4-41.9-177.8166.40000111.4T78 L79 T84 T86 N90 Y94T78-V82 HydrophobicContact CG2-CG2 4.15Å; T78-V82 WeakPolarHBondContact O-CB 3.44Å; T78-V82 WeakPolarHBondContact O-CG2 3.27Å; T78-V82 PolarHBondContact O-N 3.48Å; L79-V82 PolarHBondContact O-N 2.85Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 PolarHBondContact O-N 3.15Å; V82-T86 WeakPolarHBondContact O-CA 3.48Å; V82-T86 WeakPolarHBondContact O-CB 3.16Å; V82-T86 PolarHBondContact O-N 3.44Å; V82-T86 PolarHBondContact O-OG1 2.89Å; V82-N90 HydrophobicContact CG1-CB 4.17Å; V82-Y94 HydrophobicContact CB-CD2 4.2Å; V82-Y94 HydrophobicContact CB-CE2 4.45Å; V82-Y94 HydrophobicContact CG1-CD2 3.46Å; V82-Y94 VanDerWaalsContact CG1-CD2 3.46Å; V82-Y94 HydrophobicContact CG1-CE2 3.69Å; V82-Y94 HydrophobicContact CG1-CG 4.2Å; V82-Y94 HydrophobicContact CG2-CD1 3.74Å; V82-Y94 HydrophobicContact CG2-CD2 3.59Å; V82-Y94 HydrophobicContact CG2-CE1 3.99Å; V82-Y94 HydrophobicContact CG2-CE2 3.84Å; V82-Y94 HydrophobicContact CG2-CG 3.53Å
83E87.4Confident87.8Confident37 Ų3757.6 Ų57.617%0.17331%0.306CS..Hα-helixtrans-69.8-28.1178.4-69.3-174-158.100112.8K62 L79 I81 K88 S91K62-E83 IonicContact NZ-OE1 2.84Å; K62-E83 PolarHBondContact NZ-OE1 3.37Å; K62-E83 IonicContact NZ-OE2 2.69Å; K62-E83 PolarHBondContact NZ-OE2 3.38Å; L79-E83 WeakPolarHBondContact O-CB 3.37Å; L79-E83 VanDerWaalsContact O-CG 3.3Å; L79-E83 WeakPolarHBondContact O-CG 3.43Å; L79-E83 PolarHBondContact O-N 3.26Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 2.83Å; E83-K88 HydrophobicContact CB-CG 4.24Å; E83-K88 HydrophobicContact CG-CB 4.42Å; E83-K88 HydrophobicContact CG-CG 3.83Å; E83-K88 WeakPolarHBondContact OE2-CE 3.44Å; E83-S91 WeakPolarHBondContact CG-OG 3.36Å
84T87.6Confident88Confident111 Ų11161 Ų6168%0.68132%0.318SS*.Hα-helixtrans-79.6-43.7178.3-56.50000111.6D80 I81 V82D80-T84 WeakPolarHBondContact O-CB 3.33Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.1Å; I81-T84 PolarHBondContact O-N 2.85Å; I81-T84 VanDerWaalsContact O-N 3.11Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 PolarHBondContact O-N 3.15Å
85E86.2Confident88.2Confident150 Ų15058.1 Ų58.170%0.70130%0.303SS*.Hα-helixtrans-87.4-21-174.8-64.3-65.1138.300113.3I81I81-E85 HydrophobicContact CG2-CG 4.06Å; I81-E85 WeakPolarHBondContact O-CB 3.26Å; I81-E85 WeakPolarHBondContact O-CG 3.19Å; I81-E85 PolarHBondContact O-N 3.27Å
86T83.1Confident88.5Confident69 Ų6958.3 Ų58.342%0.42330%0.304SS..SBendtrans-133.8-131-175.1750000112.5V82V82-T86 WeakPolarHBondContact O-CA 3.48Å; V82-T86 WeakPolarHBondContact O-CB 3.16Å; V82-T86 PolarHBondContact O-N 3.44Å; V82-T86 PolarHBondContact O-OG1 2.89Å
87S80.9Confident88.6Confident48 Ų4861.8 Ų61.834%0.33632%0.323SS..  trans-122145.7177172.10000109.6E89 N90S87-E89 PolarHBondContact O-N 3.29Å; S87-E89 VanDerWaalsContact O-N 3.13Å; S87-E89 PolarHBondContact OG-N 3.25Å; S87-N90 WeakPolarHBondContact O-CB 3.47Å; S87-N90 PolarHBondContact O-N 3.25Å
88K79.2Confident88.7Confident145 Ų14561.6 Ų61.663%0.6332%0.317SS*.G310 helixtrans-56.8-26.4174.3-63.8-172.2173.4177.60113.2E83 N90 S91E83-K88 HydrophobicContact CB-CG 4.24Å; E83-K88 HydrophobicContact CG-CB 4.42Å; E83-K88 HydrophobicContact CG-CG 3.83Å; E83-K88 WeakPolarHBondContact OE2-CE 3.44Å; K88-N90 PolarHBondContact O-N 3.36Å; K88-S91 VanDerWaalsContact O-CB 3.3Å; K88-S91 WeakPolarHBondContact O-CB 3.37Å; K88-S91 PolarHBondContact O-N 3.39Å; K88-S91 VanDerWaalsContact O-N 3.12Å; K88-S91 PolarHBondContact O-OG 2.72Å
89E84.6Confident88.9Confident162 Ų16260.1 Ų60.176%0.75731%0.308SS*.G310 helixtrans-62.5-22177.2-64176.7175.700112.6S87S87-E89 PolarHBondContact O-N 3.29Å; S87-E89 VanDerWaalsContact O-N 3.13Å; S87-E89 PolarHBondContact OG-N 3.25Å
90N87.1Confident89.1Confident61 Ų6161.1 Ų61.133%0.32631%0.311SS..G310 helixtrans-83.1-15.1178.1-67.2-34.8000113.5V82 S87 K88 N93 Y94V82-N90 HydrophobicContact CG1-CB 4.17Å; S87-N90 WeakPolarHBondContact O-CB 3.47Å; S87-N90 PolarHBondContact O-N 3.25Å; K88-N90 PolarHBondContact O-N 3.36Å; N90-N93 WeakPolarHBondContact O-CB 3.29Å; N90-N93 PolarHBondContact O-N 3.4Å; N90-Y94 HydrophobicContact CB-CD2 4.03Å; N90-Y94 HydrophobicContact CB-CE2 3.93Å; N90-Y94 WeakPolarHBondContact O-CD2 3.41Å; N90-Y94 PolarHBondContact O-N 3.16Å
91S91.4Very high89.2Confident3 Ų360 Ų602%0.02131%0.311CS..Hα-helixtrans-53.1-44.3-174.5-71.50000114E83 K88 N93 Y94 G95E83-S91 WeakPolarHBondContact CG-OG 3.36Å; K88-S91 VanDerWaalsContact O-CB 3.3Å; K88-S91 WeakPolarHBondContact O-CB 3.37Å; K88-S91 PolarHBondContact O-N 3.39Å; K88-S91 VanDerWaalsContact O-N 3.12Å; K88-S91 PolarHBondContact O-OG 2.72Å; S91-N93 VanDerWaalsContact C-N 3.32Å; S91-N93 PolarHBondContact O-N 3.39Å; S91-Y94 PolarHBondContact O-N 3.36Å; S91-G95 PolarHBondContact O-N 2.92Å
92P94Very high89.4Confident17 Ų1755.9 Ų55.911%0.1129%0.292CS..Hα-helixtrans-61.6-36.4175.5-23.634.6000113.8L51 F54 E55 I58 G95 L96L51-P92 HydrophobicContact CD2-CB 3.99Å; F54-P92 HydrophobicContact CB-CB 3.98Å; E55-P92 HydrophobicContact CB-CG 4.05Å; I58-P92 HydrophobicContact CD1-CB 4.38Å; I58-P92 HydrophobicContact CD1-CG 3.88Å; P92-G95 PolarHBondContact O-N 3.01Å; P92-L96 PolarHBondContact O-N 3.33Å
93N93.3Very high89.6Confident73 Ų7357.7 Ų57.739%0.3930%0.301SS..Hα-helixtrans-65.3-42.9178-68.3-69.6000111.4L51 N90 S91 L96 L97L51-N93 WeakPolarHBondContact CD2-OD1 3.23Å; N90-N93 WeakPolarHBondContact O-CB 3.29Å; N90-N93 PolarHBondContact O-N 3.4Å; S91-N93 VanDerWaalsContact C-N 3.32Å; S91-N93 PolarHBondContact O-N 3.39Å; N93-L96 PolarHBondContact O-N 2.93Å; N93-L97 WeakPolarHBondContact O-CB 3.28Å; N93-L97 PolarHBondContact O-N 3Å
94Y91.8Very high89.8Confident89 Ų8956.1 Ų56.135%0.34929%0.294SS..Hα-helixtrans-69.5-33.8175.8-77.4-85.9000112.6V82 N90 S91 L97 L98V82-Y94 HydrophobicContact CB-CD2 4.2Å; V82-Y94 HydrophobicContact CB-CE2 4.45Å; V82-Y94 HydrophobicContact CG1-CD2 3.46Å; V82-Y94 VanDerWaalsContact CG1-CD2 3.46Å; V82-Y94 HydrophobicContact CG1-CE2 3.69Å; V82-Y94 HydrophobicContact CG1-CG 4.2Å; V82-Y94 HydrophobicContact CG2-CD1 3.74Å; V82-Y94 HydrophobicContact CG2-CD2 3.59Å; V82-Y94 HydrophobicContact CG2-CE1 3.99Å; V82-Y94 HydrophobicContact CG2-CE2 3.84Å; V82-Y94 HydrophobicContact CG2-CG 3.53Å; N90-Y94 HydrophobicContact CB-CD2 4.03Å; N90-Y94 HydrophobicContact CB-CE2 3.93Å; N90-Y94 WeakPolarHBondContact O-CD2 3.41Å; N90-Y94 PolarHBondContact O-N 3.16Å; S91-Y94 PolarHBondContact O-N 3.36Å; Y94-L97 HydrophobicContact CD1-CD2 4.46Å; Y94-L97 PolarHBondContact O-N 3.31Å; Y94-L98 WeakPolarHBondContact O-CB 3.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.38Å; Y94-L98 PolarHBondContact O-N 3.33Å
95G93.1Very high90Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-60.1-49.3170.700000112.2F54 S91 P92 L98 L99F54-G95 VanDerWaalsContact CE2-C 3.41Å; F54-G95 WeakPolarHBondContact CZ-O 3.36Å; S91-G95 PolarHBondContact O-N 2.92Å; P92-G95 PolarHBondContact O-N 3.01Å; G95-L98 PolarHBondContact O-N 3.09Å; G95-L99 WeakPolarHBondContact O-CB 3.33Å; G95-L99 PolarHBondContact O-N 2.82Å
96L94.3Very high90.4Very high4 Ų446.9 Ų46.92%0.02125%0.247CC..Hα-helixtrans-63.4-42.3175.8175.853.2000111.9Y25 K47 F50 L51 F54 P92 N93 L98 L99 W100Y25-L96 HydrophobicContact CD1-CD1 4.29Å; Y25-L96 HydrophobicContact CE1-CD1 3.8Å; Y25-L96 HydrophobicContact CE1-CG 4.26Å; Y25-L96 HydrophobicContact CE2-CD1 4.46Å; Y25-L96 HydrophobicContact CE2-CD2 3.96Å; K47-L96 HydrophobicContact CG-CD2 4.19Å; F50-L96 HydrophobicContact CB-CD1 3.66Å; F50-L96 HydrophobicContact CB-CD2 4.04Å; F50-L96 HydrophobicContact CB-CG 4.34Å; F50-L96 HydrophobicContact CD1-CD1 4.47Å; F50-L96 HydrophobicContact CD2-CD1 4.02Å; F50-L96 HydrophobicContact CG-CD1 3.81Å; L51-L96 HydrophobicContact CD2-CB 4.47Å; L51-L96 HydrophobicContact CD2-CD2 4.06Å; L51-L96 HydrophobicContact CG-CD2 4.26Å; F54-L96 HydrophobicContact CD2-CB 4.17Å; F54-L96 HydrophobicContact CE2-CB 4.19Å; P92-L96 PolarHBondContact O-N 3.33Å; N93-L96 PolarHBondContact O-N 2.93Å; L96-L98 PolarHBondContact O-N 2.68Å; L96-L99 WeakPolarHBondContact O-CB 3.37Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-W100 PolarHBondContact O-N 3.48Å
97L92.2Very high90.9Very high86 Ų8647.5 Ų47.545%0.4525%0.251SS..Hα-helixtrans-59.3-45.9176.2177.862.6000111.8N93 Y94 L99 W100 A101N93-L97 WeakPolarHBondContact O-CB 3.28Å; N93-L97 PolarHBondContact O-N 3Å; Y94-L97 HydrophobicContact CD1-CD2 4.46Å; Y94-L97 PolarHBondContact O-N 3.31Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.99Å; L97-W100 PolarHBondContact O-N 3.42Å; L97-A101 WeakPolarHBondContact O-CB 3.31Å; L97-A101 PolarHBondContact O-N 3Å
98L92.6Very high91.6Very high31 Ų3145.2 Ų45.216%0.16224%0.235CC..Hα-helixtrans-64-37.9176.2-82.2168.3000112.2F3 L75 T78 Y94 G95 L96 S102F3-L98 HydrophobicContact CZ-CB 4.48Å; L75-L98 HydrophobicContact CB-CD1 4.5Å; L75-L98 HydrophobicContact CD1-CD1 3.58Å; T78-L98 HydrophobicContact CG2-CD1 3.83Å; Y94-L98 WeakPolarHBondContact O-CB 3.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.38Å; Y94-L98 PolarHBondContact O-N 3.33Å; G95-L98 PolarHBondContact O-N 3.09Å; L96-L98 PolarHBondContact O-N 2.68Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-OG 3.35Å
99L93.5Very high92.4Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-62.8-51.1176.5-176.169.6000111.4F3 F8 F18 F50 F54 G95 L96 L97 S102 L103F3-L99 HydrophobicContact CE2-CD1 3.92Å; F3-L99 HydrophobicContact CZ-CB 4.07Å; F3-L99 HydrophobicContact CZ-CD1 3.85Å; F8-L99 HydrophobicContact CE1-CD1 4.15Å; F8-L99 HydrophobicContact CZ-CD1 4.05Å; F18-L99 HydrophobicContact CE2-CD2 4.19Å; F18-L99 HydrophobicContact CZ-CD1 4.02Å; F18-L99 HydrophobicContact CZ-CD2 3.78Å; F18-L99 HydrophobicContact CZ-CG 4.4Å; F50-L99 HydrophobicContact CD1-CD2 3.76Å; F50-L99 HydrophobicContact CE1-CD2 3.66Å; F50-L99 HydrophobicContact CZ-CD2 4.46Å; F54-L99 HydrophobicContact CE2-CB 4.16Å; F54-L99 HydrophobicContact CE2-CD2 3.96Å; F54-L99 HydrophobicContact CZ-CB 3.96Å; F54-L99 HydrophobicContact CZ-CD2 4.2Å; G95-L99 WeakPolarHBondContact O-CB 3.33Å; G95-L99 PolarHBondContact O-N 2.82Å; L96-L99 WeakPolarHBondContact O-CB 3.37Å; L96-L99 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.99Å; L99-S102 PolarHBondContact O-N 3.01Å; L99-S102 PolarHBondContact O-OG 2.89Å; L99-L103 HydrophobicContact CD1-CD1 3.74Å; L99-L103 HydrophobicContact CD1-CG 4.2Å; L99-L103 HydrophobicContact CG-CD1 4.05Å; L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 3.47Å
100W93.2Very high93.1Very high20 Ų2031.8 Ų31.88%0.07618%0.178CC..Hα-helixtrans-63.2-48177.5-177.883.1000111.5Y25 D26 F29 L96 L97 S102 L103 S104 V280Y25-W100 AromaticContact CD1-CD1 3.79Å; Y25-W100 HydrophobicContact CD1-CG 4.48Å; Y25-W100 HydrophobicContact CE1-CB 3.96Å; Y25-W100 AromaticContact CE1-CD1 3.61Å; Y25-W100 AromaticContact CE1-CG 3.91Å; Y25-W100 HydrophobicContact CE1-CG 3.91Å; D26-W100 PolarHBondContact OD1-NE1 3.4Å; F29-W100 HydrophobicContact CB-CZ2 4.35Å; F29-W100 HydrophobicContact CD1-CD2 4.25Å; F29-W100 AromaticContact CD1-CE2 3.6Å; F29-W100 AromaticContact CD1-CH2 3.81Å; F29-W100 HydrophobicContact CD1-CH2 3.81Å; F29-W100 AromaticContact CD1-CZ2 3.37Å; F29-W100 HydrophobicContact CD1-CZ2 3.37Å; F29-W100 HydrophobicContact CD1-CZ3 4.39Å; F29-W100 AromaticContact CD2-CD1 3.94Å; F29-W100 HydrophobicContact CD2-CD2 4.01Å; F29-W100 AromaticContact CD2-CE2 3.84Å; F29-W100 HydrophobicContact CD2-CG 4.09Å; F29-W100 HydrophobicContact CD2-CZ2 4.46Å; F29-W100 AromaticContact CD2-NE1 3.76Å; F29-W100 HydrophobicContact CE1-CD2 4.13Å; F29-W100 AromaticContact CE1-CE2 3.9Å; F29-W100 HydrophobicContact CE1-CE3 4.07Å; F29-W100 AromaticContact CE1-CH2 3.63Å; F29-W100 HydrophobicContact CE1-CH2 3.63Å; F29-W100 AromaticContact CE1-CZ2 3.67Å; F29-W100 HydrophobicContact CE1-CZ2 3.67Å; F29-W100 AromaticContact CE1-CZ3 3.83Å; F29-W100 HydrophobicContact CE1-CZ3 3.83Å; F29-W100 AromaticContact CE2-CD2 3.88Å; F29-W100 HydrophobicContact CE2-CD2 3.88Å; F29-W100 HydrophobicContact CE2-CE3 4.24Å; F29-W100 HydrophobicContact CE2-CG 4.11Å; F29-W100 HydrophobicContact CG-CD2 4.19Å; F29-W100 AromaticContact CG-CE2 3.57Å; F29-W100 AromaticContact CG-CZ2 3.82Å; F29-W100 HydrophobicContact CG-CZ2 3.82Å; F29-W100 AromaticContact CG-NE1 3.58Å; F29-W100 AromaticContact CZ-CD2 3.94Å; F29-W100 HydrophobicContact CZ-CD2 3.94Å; F29-W100 AromaticContact CZ-CE3 3.87Å; F29-W100 HydrophobicContact CZ-CE3 3.87Å; F29-W100 HydrophobicContact CZ-CH2 4.28Å; F29-W100 HydrophobicContact CZ-CZ2 4.34Å; F29-W100 HydrophobicContact CZ-CZ3 4.05Å; L96-W100 PolarHBondContact O-N 3.48Å; L97-W100 PolarHBondContact O-N 3.42Å; W100-S102 PolarHBondContact O-N 3.47Å; W100-S102 VanDerWaalsContact O-N 3.17Å; W100-L103 PolarHBondContact O-N 3.16Å; W100-S104 VanDerWaalsContact CD1-OG 3.27Å; W100-S104 PolarHBondContact NE1-OG 3.37Å; W100-S104 VanDerWaalsContact NE1-OG 3.13Å; W100-S104 VanDerWaalsContact O-CB 3.29Å; W100-S104 WeakPolarHBondContact O-CB 3.28Å; W100-S104 PolarHBondContact O-N 3.42Å; W100-S104 PolarHBondContact O-OG 2.82Å; W100-V280 HydrophobicContact CH2-CB 4.4Å; W100-V280 HydrophobicContact CH2-CG1 3.78Å
101A91.5Very high93.5Very high41 Ų4131.2 Ų31.234%0.33917%0.172SC..Hα-helixtrans-58.8-33.9-179.900000112.8L97 N105L97-A101 WeakPolarHBondContact O-CB 3.31Å; L97-A101 PolarHBondContact O-N 3Å; A101-N105 WeakPolarHBondContact O-CB 3.17Å; A101-N105 PolarHBondContact O-ND2 3.33Å
102S91.5Very high93.8Very high19 Ų1931.1 Ų31.113%0.13317%0.171CC..Hα-helixtrans-78.6-52.2176.357.20000112.7L2 L98 L99 W100 N105 A106L2-S102 WeakPolarHBondContact CD2-OG 3.37Å; L98-S102 WeakPolarHBondContact O-CB 3.39Å; L98-S102 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-OG 3.35Å; L99-S102 PolarHBondContact O-N 3.01Å; L99-S102 PolarHBondContact O-OG 2.89Å; W100-S102 PolarHBondContact O-N 3.47Å; W100-S102 VanDerWaalsContact O-N 3.17Å; S102-N105 PolarHBondContact O-N 2.68Å; S102-A106 VanDerWaalsContact O-CB 3.29Å; S102-A106 WeakPolarHBondContact O-CB 3.43Å; S102-A106 PolarHBondContact O-N 2.91Å
103L92.3Very high94.1Very high46 Ų4630.3 Ų30.324%0.24117%0.166CC..Hα-helixtrans-69.7-42.9-173.7-67.5-175.1000112.4F18 F22 L99 W100 N105 V107 P108F18-L103 HydrophobicContact CE1-CD1 4.13Å; F18-L103 HydrophobicContact CZ-CD1 4.36Å; F22-L103 HydrophobicContact CD1-CD1 4.37Å; F22-L103 HydrophobicContact CD2-CD1 3.86Å; F22-L103 HydrophobicContact CE1-CB 3.77Å; F22-L103 HydrophobicContact CE1-CD1 4.22Å; F22-L103 HydrophobicContact CE2-CB 3.84Å; F22-L103 HydrophobicContact CE2-CD1 3.69Å; F22-L103 HydrophobicContact CE2-CG 4.34Å; F22-L103 HydrophobicContact CG-CD1 4.21Å; F22-L103 HydrophobicContact CZ-CB 3.29Å; F22-L103 HydrophobicContact CZ-CD1 3.9Å; F22-L103 HydrophobicContact CZ-CG 4.22Å; L99-L103 HydrophobicContact CD1-CD1 3.74Å; L99-L103 HydrophobicContact CD1-CG 4.2Å; L99-L103 HydrophobicContact CG-CD1 4.05Å; L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 3.47Å; W100-L103 PolarHBondContact O-N 3.16Å; L103-N105 PolarHBondContact O-N 3.26Å; L103-V107 HydrophobicContact CD2-CG2 3.96Å; L103-V107 WeakPolarHBondContact O-CB 3.35Å; L103-P108 VanDerWaalsContact O-CD 3.29Å; L103-P108 WeakPolarHBondContact O-CD 3.36Å
104S91.9Very high94.3Very high4 Ų427.6 Ų27.63%0.02815%0.152CC..Hα-helixtrans-75.3-3-178.1-500000114F22 D26 W100 P108 V282F22-S104 WeakPolarHBondContact CZ-OG 3.24Å; D26-S104 VanDerWaalsContact CG-OG 3.25Å; D26-S104 VanDerWaalsContact OD1-CB 3.32Å; D26-S104 WeakPolarHBondContact OD1-CB 3.42Å; D26-S104 PolarHBondContact OD1-OG 3.47Å; W100-S104 VanDerWaalsContact CD1-OG 3.27Å; W100-S104 PolarHBondContact NE1-OG 3.37Å; W100-S104 VanDerWaalsContact NE1-OG 3.13Å; W100-S104 VanDerWaalsContact O-CB 3.29Å; W100-S104 WeakPolarHBondContact O-CB 3.28Å; W100-S104 PolarHBondContact O-N 3.42Å; W100-S104 PolarHBondContact O-OG 2.82Å; S104-P108 WeakPolarHBondContact O-CG 3.39Å; S104-V282 PolarHBondContact O-N 3.35Å
105N93Very high94.6Very high52 Ų5223.4 Ų23.428%0.27814%0.135SC..Hα-helixtrans-123.3-57.4178.4-64.1-78.3000112.4A101 S102 L103 V107 P108 V109 G281 V282A101-N105 WeakPolarHBondContact O-CB 3.17Å; A101-N105 PolarHBondContact O-ND2 3.33Å; S102-N105 PolarHBondContact O-N 2.68Å; L103-N105 PolarHBondContact O-N 3.26Å; N105-V107 PolarHBondContact O-N 3.48Å; N105-P108 WeakPolarHBondContact O-CD 3.47Å; N105-P108 WeakPolarHBondContact O-CG 3.2Å; N105-V109 WeakPolarHBondContact O-CB 3.28Å; N105-V109 WeakPolarHBondContact O-CG2 3.14Å; N105-V109 PolarHBondContact O-N 3.23Å; N105-V109 VanDerWaalsContact O-N 3.08Å; N105-G281 WeakPolarHBondContact OD1-CA 3.31Å; N105-V282 HydrophobicContact CB-CG2 4.33Å; N105-V282 PolarHBondContact OD1-N 2.91Å
106A94.7Very high94.8Very high15 Ų1524.4 Ų24.412%0.12414%0.139CC..Hα-helixtrans-68.8-38.1-172.900000112.5S102 V109 A110 V252S102-A106 VanDerWaalsContact O-CB 3.29Å; S102-A106 WeakPolarHBondContact O-CB 3.43Å; S102-A106 PolarHBondContact O-N 2.91Å; A106-V109 PolarHBondContact O-N 2.89Å; A106-A110 WeakPolarHBondContact O-CB 3.41Å; A106-A110 PolarHBondContact O-N 3.08Å; A106-V252 HydrophobicContact CB-CG2 4.23Å
107V94.1Very high95Very high81 Ų8124.2 Ų24.249%0.49114%0.138SC..Hα-helixtrans-63.6-54.6178.2179.40000111.8L103 N105 V109 A110 F111L103-V107 HydrophobicContact CD2-CG2 3.96Å; L103-V107 WeakPolarHBondContact O-CB 3.35Å; N105-V107 PolarHBondContact O-N 3.48Å; V107-V109 VanDerWaalsContact C-N 3.33Å; V107-V109 PolarHBondContact O-N 3.42Å; V107-A110 PolarHBondContact O-N 2.99Å; V107-F111 PolarHBondContact O-N 3.4Å
108P94.6Very high95.3Very high1 Ų121 Ų211%0.00612%0.121CC..Hα-helixtrans-63.1-36.2176.721.7-32.5000112.6L103 S104 N105 A110 F111 W112 V282L103-P108 VanDerWaalsContact O-CD 3.29Å; L103-P108 WeakPolarHBondContact O-CD 3.36Å; S104-P108 WeakPolarHBondContact O-CG 3.39Å; N105-P108 WeakPolarHBondContact O-CD 3.47Å; N105-P108 WeakPolarHBondContact O-CG 3.2Å; P108-A110 PolarHBondContact O-N 3.35Å; P108-F111 PolarHBondContact O-N 3.22Å; P108-W112 WeakPolarHBondContact O-CB 3.32Å; P108-W112 PolarHBondContact O-N 3.06Å; P108-V282 HydrophobicContact CB-CB 4.21Å; P108-V282 HydrophobicContact CB-CG1 3.87Å; P108-V282 HydrophobicContact CG-CB 3.8Å; P108-V282 HydrophobicContact CG-CG1 4.03Å
109V96.9Very high95.6Very high10 Ų1021.4 Ų21.46%0.06113%0.127CC..Hα-helixtrans-62.1-43.9174.2174.10000111.3N105 A106 V107 W112 T113 V160 T163 I164 V252 V282N105-V109 WeakPolarHBondContact O-CB 3.28Å; N105-V109 WeakPolarHBondContact O-CG2 3.14Å; N105-V109 PolarHBondContact O-N 3.23Å; N105-V109 VanDerWaalsContact O-N 3.08Å; A106-V109 PolarHBondContact O-N 2.89Å; V107-V109 VanDerWaalsContact C-N 3.33Å; V107-V109 PolarHBondContact O-N 3.42Å; V109-W112 PolarHBondContact O-N 3.48Å; V109-T113 VanDerWaalsContact O-CB 3.27Å; V109-T113 WeakPolarHBondContact O-CB 3.4Å; V109-T113 PolarHBondContact O-N 3.08Å; V109-T113 PolarHBondContact O-OG1 3.4Å; V109-V160 HydrophobicContact CG1-CG1 4.08Å; V109-T163 HydrophobicContact CG1-CG2 4.42Å; V109-I164 HydrophobicContact CG1-CD1 4.35Å; V109-I164 HydrophobicContact CG1-CG1 3.84Å; V109-I164 HydrophobicContact CG2-CG1 4.08Å; V109-V252 HydrophobicContact CB-CG2 4.49Å; V109-V252 HydrophobicContact CG1-CG1 4.07Å; V109-V252 HydrophobicContact CG1-CG2 4.25Å; V109-V282 HydrophobicContact CG2-CB 4.24Å; V109-V282 HydrophobicContact CG2-CG1 3.93Å; V109-V282 HydrophobicContact CG2-CG2 3.67Å
110A97.7Very high95.8Very high15 Ų1524.3 Ų24.312%0.12414%0.14CC..Hα-helixtrans-62.9-44.7176.200000111.5A106 V107 P108 T113 L114 V252 I256A106-A110 WeakPolarHBondContact O-CB 3.41Å; A106-A110 PolarHBondContact O-N 3.08Å; V107-A110 PolarHBondContact O-N 2.99Å; P108-A110 PolarHBondContact O-N 3.35Å; A110-T113 PolarHBondContact O-N 3.32Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.25Å; A110-V252 HydrophobicContact CB-CG1 4.15Å; A110-I256 WeakPolarHBondContact O-CD1 3.35Å
111F97.1Very high95.9Very high49 Ų4927.8 Ų27.822%0.21517%0.166CC..Hα-helixtrans-57-53.9175.1165.6-94.8000111.6V107 P108 T113 L114 A115 P272 P285 C289V107-F111 PolarHBondContact O-N 3.4Å; P108-F111 PolarHBondContact O-N 3.22Å; F111-T113 VanDerWaalsContact C-N 3.32Å; F111-T113 PolarHBondContact O-N 3.4Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-A115 WeakPolarHBondContact O-CB 3.33Å; F111-A115 PolarHBondContact O-N 3.21Å; F111-P272 HydrophobicContact CE1-CG 4.22Å; F111-P272 HydrophobicContact CZ-CG 4.07Å; F111-P285 HydrophobicContact CD1-CG 4.04Å; F111-P285 HydrophobicContact CE1-CB 3.65Å; F111-P285 HydrophobicContact CE1-CG 3.56Å; F111-P285 HydrophobicContact CZ-CB 4.01Å; F111-P285 HydrophobicContact CZ-CG 3.9Å; F111-C289 HydrophobicContact CE2-CB 4.09Å; F111-C289 HydrophobicContact CZ-CB 3.72Å
112W97.7Very high96.2Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-63.9-38.7-178.6-74.5120.5000112.1P108 V109 A115 Y116 T163 K167 P272 Q274 P283 P285P108-W112 WeakPolarHBondContact O-CB 3.32Å; P108-W112 PolarHBondContact O-N 3.06Å; V109-W112 PolarHBondContact O-N 3.48Å; W112-A115 PolarHBondContact O-N 3.02Å; W112-Y116 HydrophobicContact CB-CD2 4.43Å; W112-Y116 HydrophobicContact CB-CE2 4.44Å; W112-Y116 WeakPolarHBondContact O-CB 3.29Å; W112-Y116 WeakPolarHBondContact O-CD2 3.42Å; W112-Y116 PolarHBondContact O-N 3Å; W112-T163 HydrophobicContact CB-CG2 3.4Å; W112-T163 VanDerWaalsContact CB-CG2 3.4Å; W112-K167 HydrophobicContact CB-CG 4.2Å; W112-K167 HydrophobicContact CD2-CD 4.14Å; W112-K167 VanDerWaalsContact CD2-CE 3.44Å; W112-K167 HydrophobicContact CD2-CG 4.05Å; W112-K167 HydrophobicContact CG-CD 4.4Å; W112-K167 HydrophobicContact CG-CG 3.79Å; W112-K167 HydrophobicContact CZ2-CD 4.38Å; W112-P272 HydrophobicContact CH2-CB 4.38Å; W112-P272 HydrophobicContact CH2-CG 3.73Å; W112-P272 VanDerWaalsContact CH2-O 3.23Å; W112-P272 WeakPolarHBondContact CH2-O 3.43Å; W112-P272 HydrophobicContact CZ3-CG 3.73Å; W112-P272 WeakPolarHBondContact CZ3-O 2.97Å; W112-Q274 HydrophobicContact CZ2-CB 4.26Å; W112-P283 PolarHBondContact NE1-O 3.5Å; W112-P285 HydrophobicContact CH2-CB 4.04Å; W112-P285 HydrophobicContact CZ2-CB 3.92Å
113T98.4Very high96.6Very high0 Ų032.7 Ų32.70%018%0.184CC..Hα-helixtrans-61.8-47.9177.5-57.60000110V109 A110 F111 A115 Y116 V117 C159 V160 T163 I256V109-T113 VanDerWaalsContact O-CB 3.27Å; V109-T113 WeakPolarHBondContact O-CB 3.4Å; V109-T113 PolarHBondContact O-N 3.08Å; V109-T113 PolarHBondContact O-OG1 3.4Å; A110-T113 PolarHBondContact O-N 3.32Å; F111-T113 VanDerWaalsContact C-N 3.32Å; F111-T113 PolarHBondContact O-N 3.4Å; T113-A115 PolarHBondContact O-N 3.22Å; T113-Y116 PolarHBondContact O-N 3.16Å; T113-V117 HydrophobicContact CG2-CG2 4.49Å; T113-V117 WeakPolarHBondContact O-CB 3.4Å; T113-V117 VanDerWaalsContact O-CG2 3.29Å; T113-V117 WeakPolarHBondContact O-CG2 3.33Å; T113-V117 PolarHBondContact O-N 3.04Å; T113-C159 HydrophobicContact CG2-CB 4.05Å; T113-V160 HydrophobicContact CG2-CG2 3.88Å; T113-T163 WeakPolarHBondContact CA-OG1 3.39Å; T113-T163 WeakPolarHBondContact OG1-CB 3.46Å; T113-T163 PolarHBondContact OG1-OG1 3.49Å; T113-I256 HydrophobicContact CG2-CD1 4.25Å; T113-I256 HydrophobicContact CG2-CG1 4.02Å
114L98.3Very high96.8Very high17 Ų1732.1 Ų32.19%0.08918%0.18CC..Hα-helixtrans-60.8-46.6177.1-175.961.6000111A110 F111 Y116 V117 L118 I256 I259 L260 I291A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.25Å; F111-L114 PolarHBondContact O-N 2.88Å; L114-Y116 PolarHBondContact O-N 3.28Å; L114-V117 PolarHBondContact O-N 3.42Å; L114-L118 HydrophobicContact CD1-CD1 4.01Å; L114-L118 HydrophobicContact CD1-CG 4.09Å; L114-L118 HydrophobicContact CG-CD1 3.91Å; L114-L118 HydrophobicContact CG-CG 4.34Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 VanDerWaalsContact O-CG 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.29Å; L114-L118 PolarHBondContact O-N 2.83Å; L114-I256 HydrophobicContact CB-CD1 3.87Å; L114-I259 HydrophobicContact CD1-CG2 4.35Å; L114-I259 HydrophobicContact CD2-CD1 4.44Å; L114-I259 HydrophobicContact CD2-CG2 4.21Å; L114-L260 HydrophobicContact CD1-CD2 3.91Å; L114-L260 HydrophobicContact CD1-CG 4.4Å; L114-I291 HydrophobicContact CD2-CD1 3.89Å; L114-I291 HydrophobicContact CG-CD1 4.23Å
115A98Very high97.1Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-62.2-42.6179.400000112.4F111 W112 T113 L118 S119 L271F111-A115 WeakPolarHBondContact O-CB 3.33Å; F111-A115 PolarHBondContact O-N 3.21Å; W112-A115 PolarHBondContact O-N 3.02Å; T113-A115 PolarHBondContact O-N 3.22Å; A115-L118 PolarHBondContact O-N 2.91Å; A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 2.97Å; A115-S119 PolarHBondContact O-OG 3.4Å; A115-L271 HydrophobicContact CB-CD2 3.66Å
116Y98.3Very high97.4Very high22 Ų2237.5 Ų37.59%0.08621%0.208CC..Hα-helixtrans-64.4-44.6174.9-80.4-56.8000112W112 T113 L114 L118 S119 H120 T163 L166 K167 F213 L271W112-Y116 HydrophobicContact CB-CD2 4.43Å; W112-Y116 HydrophobicContact CB-CE2 4.44Å; W112-Y116 WeakPolarHBondContact O-CB 3.29Å; W112-Y116 WeakPolarHBondContact O-CD2 3.42Å; W112-Y116 PolarHBondContact O-N 3Å; T113-Y116 PolarHBondContact O-N 3.16Å; L114-Y116 PolarHBondContact O-N 3.28Å; Y116-L118 PolarHBondContact O-N 2.77Å; Y116-S119 WeakPolarHBondContact CA-OG 3.4Å; Y116-S119 PolarHBondContact O-N 3.34Å; Y116-S119 PolarHBondContact O-OG 3.25Å; Y116-H120 PolarHBondContact O-N 2.68Å; Y116-H120 PolarHBondContact O-ND1 3.5Å; Y116-T163 HydrophobicContact CD2-CG2 4.26Å; Y116-T163 HydrophobicContact CE2-CG2 4.41Å; Y116-L166 HydrophobicContact CE1-CD1 4.13Å; Y116-L166 HydrophobicContact CE2-CB 4.47Å; Y116-L166 HydrophobicContact CE2-CD1 4.13Å; Y116-K167 HydrophobicContact CE2-CG 4.31Å; Y116-K167 WeakPolarHBondContact OH-CE 3.43Å; Y116-K167 PolarHBondContact OH-NZ 3.32Å; Y116-F213 HydrophobicContact CD1-CB 4.07Å; Y116-F213 HydrophobicContact CD1-CD1 4.47Å; Y116-F213 AromaticContact CD1-CD2 3.94Å; Y116-F213 HydrophobicContact CD1-CD2 3.94Å; Y116-F213 AromaticContact CD1-CG 3.91Å; Y116-F213 HydrophobicContact CD1-CG 3.91Å; Y116-F213 AromaticContact CD2-CD2 3.93Å; Y116-F213 HydrophobicContact CD2-CD2 3.93Å; Y116-F213 AromaticContact CD2-CE2 3.94Å; Y116-F213 HydrophobicContact CD2-CE2 3.94Å; Y116-F213 HydrophobicContact CE1-CB 4.31Å; Y116-F213 HydrophobicContact CE1-CD2 4.44Å; Y116-F213 HydrophobicContact CE2-CD2 4.41Å; Y116-F213 HydrophobicContact CG-CD1 4.45Å; Y116-F213 AromaticContact CG-CD2 3.68Å; Y116-F213 HydrophobicContact CG-CD2 3.68Å; Y116-F213 AromaticContact CG-CE2 3.82Å; Y116-F213 HydrophobicContact CG-CE2 3.82Å; Y116-F213 HydrophobicContact CG-CG 4.01Å; Y116-F213 HydrophobicContact CG-CZ 4.27Å; Y116-L271 HydrophobicContact CD1-CD1 3.7Å; Y116-L271 HydrophobicContact CE1-CD1 3.71Å
117V98.5Very high97.5Very high0 Ų036.9 Ų36.90%020%0.202CC..Hα-helixtrans-58.9-49.8176.2167.70000110.6T113 L114 S119 H120 H124 I127 C159 L260T113-V117 HydrophobicContact CG2-CG2 4.49Å; T113-V117 WeakPolarHBondContact O-CB 3.4Å; T113-V117 VanDerWaalsContact O-CG2 3.29Å; T113-V117 WeakPolarHBondContact O-CG2 3.33Å; T113-V117 PolarHBondContact O-N 3.04Å; L114-V117 PolarHBondContact O-N 3.42Å; V117-S119 VanDerWaalsContact C-N 3.28Å; V117-S119 PolarHBondContact O-N 3.29Å; V117-H120 CarbonylContact O-C 3.53Å; V117-H120 PolarHBondContact O-N 2.81Å; V117-H120 VanDerWaalsContact O-N 3.1Å; V117-H124 HydrophobicContact CG1-CB 4.01Å; V117-I127 HydrophobicContact CB-CD1 4.35Å; V117-I127 HydrophobicContact CG1-CD1 3.76Å; V117-I127 HydrophobicContact CG2-CD1 3.58Å; V117-C159 HydrophobicContact CG2-CB 4.07Å; V117-L260 HydrophobicContact CG1-CD1 4.36Å
118L98.1Very high97.7Very high18 Ų1834.2 Ų34.29%0.09419%0.185CC..Hα-helixtrans-67.6-26.7-177.7-65.7178.5000113.6L114 A115 Y116 H120 L260 C265 L267 I291L114-L118 HydrophobicContact CD1-CD1 4.01Å; L114-L118 HydrophobicContact CD1-CG 4.09Å; L114-L118 HydrophobicContact CG-CD1 3.91Å; L114-L118 HydrophobicContact CG-CG 4.34Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 VanDerWaalsContact O-CG 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.29Å; L114-L118 PolarHBondContact O-N 2.83Å; A115-L118 PolarHBondContact O-N 2.91Å; Y116-L118 PolarHBondContact O-N 2.77Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-L260 HydrophobicContact CD2-CD2 4.42Å; L118-C265 HydrophobicContact CD1-CB 3.85Å; L118-C265 HydrophobicContact CD2-CB 3.9Å; L118-C265 WeakPolarHBondContact CD2-O 2.93Å; L118-L267 HydrophobicContact CB-CB 4.03Å; L118-I291 HydrophobicContact CD1-CD1 4.15Å; L118-I291 HydrophobicContact CD1-CG1 4.3Å; L118-I291 HydrophobicContact CD1-CG2 3.84Å
119S97.5Very high97.9Very high40 Ų4039.4 Ų39.428%0.2821%0.209SC..Hα-helixtrans-81.6-5.4174.853.60000113.9A115 Y116 V117A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 2.97Å; A115-S119 PolarHBondContact O-OG 3.4Å; Y116-S119 WeakPolarHBondContact CA-OG 3.4Å; Y116-S119 PolarHBondContact O-N 3.34Å; Y116-S119 PolarHBondContact O-OG 3.25Å; V117-S119 VanDerWaalsContact C-N 3.28Å; V117-S119 PolarHBondContact O-N 3.29Å
120H97.8Very high97.9Very high60 Ų6040 Ų4028%0.27822%0.217SC..  trans-122.588.6178.6-66.574.3000110.1Y116 V117 L118 D122 I123 H124 F213Y116-H120 PolarHBondContact O-N 2.68Å; Y116-H120 PolarHBondContact O-ND1 3.5Å; V117-H120 CarbonylContact O-C 3.53Å; V117-H120 PolarHBondContact O-N 2.81Å; V117-H120 VanDerWaalsContact O-N 3.1Å; L118-H120 VanDerWaalsContact C-N 3.3Å; H120-D122 VanDerWaalsContact C-N 3.28Å; H120-D122 PolarHBondContact O-N 2.96Å; H120-D122 VanDerWaalsContact O-N 3.15Å; H120-I123 HydrophobicContact CB-CB 3.94Å; H120-I123 HydrophobicContact CB-CD1 3.72Å; H120-I123 HydrophobicContact CB-CG1 3.96Å; H120-I123 PolarHBondContact O-N 3.33Å; H120-H124 PolarHBondContact O-N 2.95Å; H120-F213 AromaticContact CE1-CD1 3.83Å; H120-F213 AromaticContact ND1-CD1 3.89Å
121P96.6Very high97.9Very high94 Ų9439.3 Ų39.361%0.6121%0.211SC*.Hα-helixtrans-53.8-39-172.4-29.336000114.7H124 K125P121-H124 PolarHBondContact O-N 3.44Å; P121-K125 WeakPolarHBondContact O-CB 3.31Å; P121-K125 PolarHBondContact O-N 2.84Å
122D97.9Very high97.8Very high136 Ų13639.3 Ų39.373%0.72722%0.217SC*.Hα-helixtrans-66.3-40.7179.2-62-34.6000112.1H120 A126H120-D122 VanDerWaalsContact C-N 3.28Å; H120-D122 PolarHBondContact O-N 2.96Å; H120-D122 VanDerWaalsContact O-N 3.15Å; D122-A126 WeakPolarHBondContact O-CB 3.44Å; D122-A126 PolarHBondContact O-N 3.35Å
123I98.3Very high97.7Very high27 Ų2744.3 Ų44.314%0.13825%0.252CS..Hα-helixtrans-68-45.5176.4-61.8177.1000109.7H120 K125 A126 I127 F213 P215H120-I123 HydrophobicContact CB-CB 3.94Å; H120-I123 HydrophobicContact CB-CD1 3.72Å; H120-I123 HydrophobicContact CB-CG1 3.96Å; H120-I123 PolarHBondContact O-N 3.33Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.71Å; I123-A126 PolarHBondContact O-N 2.86Å; I123-I127 HydrophobicContact CG2-CD1 3.91Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 WeakPolarHBondContact O-CB 3.41Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 3.3Å; I123-F213 HydrophobicContact CD1-CD1 3.88Å; I123-F213 HydrophobicContact CD1-CE1 3.77Å; I123-P215 HydrophobicContact CD1-CG 4Å
124H98.2Very high97.6Very high33 Ų3346.2 Ų46.215%0.15326%0.264CS..Hα-helixtrans-58.1-46.5176.6-179.3-150.2000111.5V117 H120 P121 I127 M128V117-H124 HydrophobicContact CG1-CB 4.01Å; H120-H124 PolarHBondContact O-N 2.95Å; P121-H124 PolarHBondContact O-N 3.44Å; H124-I127 PolarHBondContact O-N 2.8Å; H124-M128 WeakPolarHBondContact O-CG 3.21Å; H124-M128 PolarHBondContact O-N 2.91Å
125K98Very high97.5Very high131 Ų13147.2 Ų47.257%0.5727%0.268SS*.Hα-helixtrans-59.1-49.7177-178.4179.7172.3-174.90111.7P121 I123 I127 M128 E129P121-K125 WeakPolarHBondContact O-CB 3.31Å; P121-K125 PolarHBondContact O-N 2.84Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.71Å; K125-I127 VanDerWaalsContact C-N 3.3Å; K125-I127 PolarHBondContact O-N 3.19Å; K125-M128 PolarHBondContact O-N 3.45Å; K125-M128 VanDerWaalsContact O-N 3.14Å; K125-E129 WeakPolarHBondContact CE-OE1 3.39Å; K125-E129 WeakPolarHBondContact O-CG 3.32Å; K125-E129 PolarHBondContact O-N 3.48Å
126A98.1Very high97.3Very high38 Ų3848.8 Ų48.831%0.31428%0.284SS..Hα-helixtrans-62-36.8178.700000112.6D122 I123 G130 L155D122-A126 WeakPolarHBondContact O-CB 3.44Å; D122-A126 PolarHBondContact O-N 3.35Å; I123-A126 PolarHBondContact O-N 2.86Å; A126-G130 PolarHBondContact O-N 3.45Å; A126-L155 HydrophobicContact CB-CD2 3.55Å
127I98.1Very high97Very high3 Ų356.3 Ų56.32%0.01532%0.317CS..Hα-helixtrans-63.9-45.8173.1-74.9173.2000111V117 I123 H124 K125 E129 G130 I131 L155 I156 L260V117-I127 HydrophobicContact CB-CD1 4.35Å; V117-I127 HydrophobicContact CG1-CD1 3.76Å; V117-I127 HydrophobicContact CG2-CD1 3.58Å; I123-I127 HydrophobicContact CG2-CD1 3.91Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 WeakPolarHBondContact O-CB 3.41Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 3.3Å; H124-I127 PolarHBondContact O-N 2.8Å; K125-I127 VanDerWaalsContact C-N 3.3Å; K125-I127 PolarHBondContact O-N 3.19Å; I127-E129 VanDerWaalsContact C-N 3.34Å; I127-E129 PolarHBondContact O-N 2.85Å; I127-G130 PolarHBondContact O-N 3.3Å; I127-I131 HydrophobicContact CG2-CD1 3.8Å; I127-I131 HydrophobicContact CG2-CG1 4.36Å; I127-I131 WeakPolarHBondContact O-CG1 3.48Å; I127-I131 PolarHBondContact O-N 2.73Å; I127-L155 HydrophobicContact CD1-CG 4.44Å; I127-L155 HydrophobicContact CG1-CB 4.45Å; I127-L155 HydrophobicContact CG1-CD2 3.76Å; I127-L155 HydrophobicContact CG1-CG 3.86Å; I127-I156 HydrophobicContact CB-CG1 4.43Å; I127-I156 HydrophobicContact CD1-CG1 4.14Å; I127-I156 HydrophobicContact CG1-CG1 3.92Å; I127-I156 HydrophobicContact CG2-CD1 3.84Å; I127-I156 HydrophobicContact CG2-CG1 3.8Å; I127-L260 HydrophobicContact CG2-CD1 3.62Å
128M98Very high96.6Very high25 Ų2556.8 Ų56.812%0.12332%0.321CS..Hα-helixtrans-65.6-36.7179.8-71.4-55.6-56.100112.5H124 K125 I131 S132 A138 L260H124-M128 WeakPolarHBondContact O-CG 3.21Å; H124-M128 PolarHBondContact O-N 2.91Å; K125-M128 PolarHBondContact O-N 3.45Å; K125-M128 VanDerWaalsContact O-N 3.14Å; M128-I131 HydrophobicContact SD-CD1 4.33Å; M128-S132 WeakPolarHBondContact O-CB 3.21Å; M128-S132 PolarHBondContact O-N 3.29Å; M128-S132 PolarHBondContact O-OG 3.13Å; M128-A138 HydrophobicContact CE-CB 3.95Å; M128-L260 HydrophobicContact SD-CB 3.85Å
129E97.6Very high96.3Very high110 Ų11056.1 Ų56.151%0.51432%0.319SS..Hα-helixtrans-62.1-46.1171.4-72.8170.7-17900111.1K125 I127 S132 S133K125-E129 WeakPolarHBondContact CE-OE1 3.39Å; K125-E129 WeakPolarHBondContact O-CG 3.32Å; K125-E129 PolarHBondContact O-N 3.48Å; I127-E129 VanDerWaalsContact C-N 3.34Å; I127-E129 PolarHBondContact O-N 2.85Å; E129-S132 PolarHBondContact O-N 3.17Å; E129-S133 PolarHBondContact O-N 2.76Å
130G97.6Very high95.9Very high22 Ų2259.4 Ų59.423%0.22733%0.328CS..Hα-helixtrans-59.7-49.5175.100000112.7A126 I127 S132 S133 V134 L153A126-G130 PolarHBondContact O-N 3.45Å; I127-G130 PolarHBondContact O-N 3.3Å; G130-S132 PolarHBondContact O-N 3.13Å; G130-S133 WeakPolarHBondContact O-CB 3.41Å; G130-S133 PolarHBondContact O-N 2.96Å; G130-S133 VanDerWaalsContact O-N 3.12Å; G130-V134 PolarHBondContact O-N 3.19Å; G130-V134 VanDerWaalsContact O-N 3.13Å; G130-L153 WeakPolarHBondContact O-CD2 3.48Å
131I97.1Very high95.6Very high0 Ų062 Ų620%034%0.344CS..Hα-helixtrans-56.8-43176-71.6172.8000110.3I127 M128 S133 V134 F135 L153 I156 L260 Y261I127-I131 HydrophobicContact CG2-CD1 3.8Å; I127-I131 HydrophobicContact CG2-CG1 4.36Å; I127-I131 WeakPolarHBondContact O-CG1 3.48Å; I127-I131 PolarHBondContact O-N 2.73Å; M128-I131 HydrophobicContact SD-CD1 4.33Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 3.28Å; I131-V134 PolarHBondContact O-N 2.58Å; I131-F135 HydrophobicContact CG2-CD2 4.2Å; I131-F135 PolarHBondContact O-N 3.18Å; I131-L153 HydrophobicContact CG1-CD2 4.49Å; I131-I156 HydrophobicContact CD1-CD1 4.2Å; I131-I156 HydrophobicContact CG1-CD1 4.14Å; I131-L260 HydrophobicContact CD1-CB 3.8Å; I131-L260 HydrophobicContact CD1-CD1 4.36Å; I131-Y261 HydrophobicContact CG2-CD2 3.75Å; I131-Y261 HydrophobicContact CG2-CG 4.5Å
132S95.5Very high95.2Very high49 Ų4966.8 Ų66.834%0.34336%0.355SS..Hα-helixtrans-67.3-33.7180-57.70000112.7M128 E129 G130 G136M128-S132 WeakPolarHBondContact O-CB 3.21Å; M128-S132 PolarHBondContact O-N 3.29Å; M128-S132 PolarHBondContact O-OG 3.13Å; E129-S132 PolarHBondContact O-N 3.17Å; G130-S132 PolarHBondContact O-N 3.13Å; S132-G136 VanDerWaalsContact CA-O 3.27Å; S132-G136 WeakPolarHBondContact CA-O 3.33Å; S132-G136 CarbonylContact O-C 3.57Å; S132-G136 WeakPolarHBondContact O-CA 3.35Å; S132-G136 PolarHBondContact O-N 2.9Å
133S96.3Very high95Very high105 Ų10561.9 Ų61.973%0.73433%0.329SS*.Hα-helixtrans-68.9-34.8177.1-173.20000112.8E129 G130 I131E129-S133 PolarHBondContact O-N 2.76Å; G130-S133 WeakPolarHBondContact O-CB 3.41Å; G130-S133 PolarHBondContact O-N 2.96Å; G130-S133 VanDerWaalsContact O-N 3.12Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 3.28Å
134V96.6Very high94.7Very high41 Ų4169.9 Ų69.925%0.24836%0.363CS..Hα-helixtrans-88-44-176175.80000111.6G130 I131 D149 N152 L153G130-V134 PolarHBondContact O-N 3.19Å; G130-V134 VanDerWaalsContact O-N 3.13Å; I131-V134 PolarHBondContact O-N 2.58Å; V134-D149 HydrophobicContact CG1-CB 3.79Å; V134-D149 VanDerWaalsContact CG1-OD1 3.28Å; V134-D149 WeakPolarHBondContact CG1-OD1 3.46Å; V134-N152 HydrophobicContact CG2-CB 3.9Å; V134-L153 HydrophobicContact CG2-CD1 4.49Å; V134-L153 HydrophobicContact CG2-CD2 3.93Å; V134-L153 HydrophobicContact CG2-CG 4.05Å
135F95.8Very high94.5Very high37 Ų3769.5 Ų69.516%0.16236%0.363CS..Hα-helixtrans-107.91.8-172.3-57-65.9000114I131 I143 V145 D149 L153 I257 Y261I131-F135 HydrophobicContact CG2-CD2 4.2Å; I131-F135 PolarHBondContact O-N 3.18Å; F135-I143 HydrophobicContact CB-CG2 4.38Å; F135-I143 HydrophobicContact CD1-CB 4.42Å; F135-I143 HydrophobicContact CD1-CD1 4.15Å; F135-I143 HydrophobicContact CD2-CD1 4.05Å; F135-I143 HydrophobicContact CE1-CD1 4.31Å; F135-I143 HydrophobicContact CE2-CD1 4.19Å; F135-I143 HydrophobicContact CG-CD1 4.02Å; F135-I143 HydrophobicContact CZ-CD1 4.32Å; F135-V145 HydrophobicContact CE1-CG2 4.32Å; F135-V145 HydrophobicContact CZ-CB 4.36Å; F135-V145 HydrophobicContact CZ-CG1 4.15Å; F135-V145 HydrophobicContact CZ-CG2 3.89Å; F135-D149 HydrophobicContact CE1-CB 3.96Å; F135-D149 HydrophobicContact CZ-CB 3.68Å; F135-L153 HydrophobicContact CE2-CD1 3.65Å; F135-L153 HydrophobicContact CZ-CD1 4.28Å; F135-I257 HydrophobicContact CD2-CG2 4.41Å; F135-I257 HydrophobicContact CE2-CG2 3.7Å; F135-I257 HydrophobicContact CZ-CG2 4.37Å; F135-Y261 HydrophobicContact CB-CD2 4.04Å; F135-Y261 HydrophobicContact CB-CE2 3.6Å; F135-Y261 HydrophobicContact CG-CE2 4.48Å
136G92.6Very high94.2Very high34 Ų3465.8 Ų65.835%0.35135%0.353SS..SBendtrans73.5-166.8-168.500000111.9S132 A138S132-G136 VanDerWaalsContact CA-O 3.27Å; S132-G136 WeakPolarHBondContact CA-O 3.33Å; S132-G136 CarbonylContact O-C 3.57Å; S132-G136 WeakPolarHBondContact O-CA 3.35Å; S132-G136 PolarHBondContact O-N 2.9Å; G136-A138 PolarHBondContact O-N 3.36Å; G136-A138 VanDerWaalsContact O-N 3.09Å
137K91.8Very high93.8Very high179 Ų17970.7 Ų70.778%0.77837%0.37SS*.SBendtrans-58.1119.1-175.9-175.7178.9176-175.10111G139K137-G139 PolarHBondContact O-N 2.81Å
138A90.9Very high93.5Very high10 Ų1075.8 Ų75.88%0.08340%0.397CS..  trans-52.9134.8174.300000111.4M128 G136 Y261M128-A138 HydrophobicContact CE-CB 3.95Å; G136-A138 PolarHBondContact O-N 3.36Å; G136-A138 VanDerWaalsContact O-N 3.09Å; A138-Y261 CarbonylContact C-O 3.54Å; A138-Y261 HydrophobicContact CB-CD2 4.17Å; A138-Y261 HydrophobicContact CB-CE2 4.48Å; A138-Y261 WeakPolarHBondContact CB-O 3.4Å
139G91.7Very high93.3Very high5 Ų576.2 Ų76.25%0.05240%0.399CS..  trans-169.6-164-169.600000113.6K137 Y261K137-G139 PolarHBondContact O-N 2.81Å; G139-Y261 PolarHBondContact N-O 3.18Å; G139-Y261 WeakPolarHBondContact O-CD1 3.48Å; G139-Y261 VanDerWaalsContact O-CE1 3.28Å; G139-Y261 WeakPolarHBondContact O-CE1 3.28Å
140K89.5Confident93Very high108 Ų10871.3 Ų71.347%0.4738%0.377SS..SBendtrans-85.4-10-174.633.4-177.7170.4-178.60114.2I297K140-I297 WeakPolarHBondContact CE-OXT 3.38Å; K140-I297 WeakPolarHBondContact CG-OXT 3.42Å
141D90.5Very high92.6Very high116 Ų11676.6 Ų76.662%0.6240%0.395SS*.SBendtrans-64.3153.1-178.5-66.7-34.3000112.6I143D141-I143 PolarHBondContact O-N 2.96Å
142K89.3Confident92.3Very high193 Ų19382.2 Ų82.284%0.83943%0.425SS*.  trans-80.9113.9173.9-69-177.1-176.7174.50108.6
143I93.8Very high92.3Very high34 Ų3480.2 Ų80.217%0.17441%0.411CS..  trans-90.7153.6168.662.3170.4000111.1F135 D141 V145 I257 L258 Y261F135-I143 HydrophobicContact CB-CG2 4.38Å; F135-I143 HydrophobicContact CD1-CB 4.42Å; F135-I143 HydrophobicContact CD1-CD1 4.15Å; F135-I143 HydrophobicContact CD2-CD1 4.05Å; F135-I143 HydrophobicContact CE1-CD1 4.31Å; F135-I143 HydrophobicContact CE2-CD1 4.19Å; F135-I143 HydrophobicContact CG-CD1 4.02Å; F135-I143 HydrophobicContact CZ-CD1 4.32Å; D141-I143 PolarHBondContact O-N 2.96Å; I143-V145 HydrophobicContact CD1-CG2 3.98Å; I143-V145 HydrophobicContact CG1-CG2 4.36Å; I143-I257 HydrophobicContact CD1-CG2 4.25Å; I143-L258 HydrophobicContact CD1-CD2 4.03Å; I143-L258 HydrophobicContact CG1-CD2 3.75Å; I143-Y261 HydrophobicContact CD1-CD1 4.11Å; I143-Y261 HydrophobicContact CD1-CD2 3.89Å; I143-Y261 HydrophobicContact CD1-CE2 4.33Å; I143-Y261 HydrophobicContact CD1-CG 3.77Å; I143-Y261 HydrophobicContact CG1-CD1 4.3Å; I143-Y261 HydrophobicContact CG1-CE1 4.48Å; I143-Y261 HydrophobicContact CG1-CG 4.46Å; I143-Y261 HydrophobicContact CG2-CD1 4.15Å; I143-Y261 HydrophobicContact CG2-CD2 4.31Å; I143-Y261 HydrophobicContact CG2-CE1 3.52Å; I143-Y261 HydrophobicContact CG2-CE2 3.7Å; I143-Y261 WeakPolarHBondContact CG2-OH 3.44Å
144K91.5Very high92.2Very high195 Ų19578.5 Ų78.585%0.84839%0.393SS*.  trans-105.7135161.3-67.1-179.8-177.7174.80106.6
145V93.5Very high92.3Very high25 Ų2578.8 Ų78.815%0.15239%0.393CS..  trans-106.4117.3176.5-178.50000106.6F135 I143 D149 L150 M254 I257 L258F135-V145 HydrophobicContact CE1-CG2 4.32Å; F135-V145 HydrophobicContact CZ-CB 4.36Å; F135-V145 HydrophobicContact CZ-CG1 4.15Å; F135-V145 HydrophobicContact CZ-CG2 3.89Å; I143-V145 HydrophobicContact CD1-CG2 3.98Å; I143-V145 HydrophobicContact CG1-CG2 4.36Å; V145-D149 HydrophobicContact CG1-CB 4.29Å; V145-L150 HydrophobicContact CG1-CD1 4.42Å; V145-L150 HydrophobicContact CG1-CD2 3.52Å; V145-L150 HydrophobicContact CG1-CG 3.79Å; V145-M254 HydrophobicContact CB-CE 4.22Å; V145-M254 HydrophobicContact CB-CG 4.4Å; V145-M254 HydrophobicContact CG1-CG 4.05Å; V145-I257 HydrophobicContact CG2-CG2 4.24Å; V145-L258 HydrophobicContact CG2-CD2 4.3Å
146S93.2Very high92.4Very high52 Ų5277.1 Ų77.136%0.36439%0.386SS..  trans-90.7170173.868.50000111.1D149 L150S146-D149 WeakPolarHBondContact CB-OD2 3.27Å; S146-D149 PolarHBondContact N-OD2 2.88Å; S146-D149 PolarHBondContact O-N 3.46Å; S146-D149 PolarHBondContact OG-N 3.24Å; S146-D149 PolarHBondContact OG-OD2 3.05Å; S146-L150 WeakPolarHBondContact O-CG 3.28Å; S146-L150 PolarHBondContact O-N 3.38Å
147E88.7Confident92.5Very high142 Ų14277.3 Ų77.366%0.66438%0.377SS*.Hα-helixtrans-64.6-41.5174.4-68.3-178.9-165.600111.3D149 L150 E151E147-D149 VanDerWaalsContact C-N 3.27Å; E147-D149 PolarHBondContact O-N 3.23Å; E147-L150 WeakPolarHBondContact O-CA 3.26Å; E147-L150 WeakPolarHBondContact O-CB 3.36Å; E147-L150 PolarHBondContact O-N 3.19Å; E147-E151 PolarHBondContact O-N 2.98Å
148D92Very high92.8Very high109 Ų10970.5 Ų70.558%0.58335%0.347SS*.Hα-helixtrans-57.6-38.9175.4-60-13.3000112L150 E151 N152D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 3.17Å; D148-E151 PolarHBondContact O-N 3.35Å; D148-N152 PolarHBondContact O-N 3.38Å; D148-N152 VanDerWaalsContact O-N 3.16Å; D148-N152 PolarHBondContact O-ND2 2.89Å
149D93.9Very high93.2Very high34 Ų3470 Ų7018%0.18234%0.343CS..Hα-helixtrans-63.2-38.4175.5-61.5-43.5000111.5V134 F135 V145 S146 E147 E151 N152 L153V134-D149 HydrophobicContact CG1-CB 3.79Å; V134-D149 VanDerWaalsContact CG1-OD1 3.28Å; V134-D149 WeakPolarHBondContact CG1-OD1 3.46Å; F135-D149 HydrophobicContact CE1-CB 3.96Å; F135-D149 HydrophobicContact CZ-CB 3.68Å; V145-D149 HydrophobicContact CG1-CB 4.29Å; S146-D149 WeakPolarHBondContact CB-OD2 3.27Å; S146-D149 PolarHBondContact N-OD2 2.88Å; S146-D149 PolarHBondContact O-N 3.46Å; S146-D149 PolarHBondContact OG-N 3.24Å; S146-D149 PolarHBondContact OG-OD2 3.05Å; E147-D149 VanDerWaalsContact C-N 3.27Å; E147-D149 PolarHBondContact O-N 3.23Å; D149-E151 VanDerWaalsContact C-N 3.34Å; D149-N152 PolarHBondContact O-N 2.94Å; D149-L153 WeakPolarHBondContact O-CG 3.09Å; D149-L153 PolarHBondContact O-N 3.43Å
150L91.8Very high93.5Very high8 Ų869.9 Ų69.94%0.04234%0.341CS..Hα-helixtrans-69.9-33.2179.4-62.8174.1000111.9V145 S146 E147 D148 N152 L153 L250 Q253 M254 I257V145-L150 HydrophobicContact CG1-CD1 4.42Å; V145-L150 HydrophobicContact CG1-CD2 3.52Å; V145-L150 HydrophobicContact CG1-CG 3.79Å; S146-L150 WeakPolarHBondContact O-CG 3.28Å; S146-L150 PolarHBondContact O-N 3.38Å; E147-L150 WeakPolarHBondContact O-CA 3.26Å; E147-L150 WeakPolarHBondContact O-CB 3.36Å; E147-L150 PolarHBondContact O-N 3.19Å; D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 3.17Å; L150-N152 VanDerWaalsContact C-N 3.31Å; L150-L153 PolarHBondContact O-N 2.9Å; L150-L250 HydrophobicContact CD1-CD2 3.46Å; L150-L250 VanDerWaalsContact CD1-CD2 3.46Å; L150-Q253 HydrophobicContact CD2-CB 4.38Å; L150-Q253 HydrophobicContact CD2-CG 3.82Å; L150-Q253 PolarHBondContact O-NE2 3.48Å; L150-M254 HydrophobicContact CD1-CG 4.06Å; L150-M254 HydrophobicContact CD1-SD 4.49Å; L150-M254 HydrophobicContact CD2-CG 3.98Å; L150-I257 HydrophobicContact CD2-CD1 3.44Å; L150-I257 VanDerWaalsContact CD2-CD1 3.44Å
151E88.3Confident93.9Very high132 Ų13264.8 Ų64.862%0.61732%0.318SS*.Hα-helixtrans-66.4-33.1172.9-67.4-171.7168.600112E147 D148 D149 L153 L154E147-E151 PolarHBondContact O-N 2.98Å; D148-E151 PolarHBondContact O-N 3.35Å; D149-E151 VanDerWaalsContact C-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 3.44Å; E151-L154 VanDerWaalsContact O-CD2 3.29Å; E151-L154 WeakPolarHBondContact O-CD2 3.44Å; E151-L154 VanDerWaalsContact O-CG 3.23Å; E151-L154 WeakPolarHBondContact O-CG 3.36Å
152N92.1Very high94.2Very high118 Ų11859.2 Ų59.263%0.63129%0.289SS*.THydrogen-bonded Turntrans-77.6-10.3174.6-70.9-60.5000113.8V134 D148 D149 L150V134-N152 HydrophobicContact CG2-CB 3.9Å; D148-N152 PolarHBondContact O-N 3.38Å; D148-N152 VanDerWaalsContact O-N 3.16Å; D148-N152 PolarHBondContact O-ND2 2.89Å; D149-N152 PolarHBondContact O-N 2.94Å; L150-N152 VanDerWaalsContact C-N 3.31Å
153L95Very high94.6Very high7 Ų750 Ų504%0.03725%0.249CC..THydrogen-bonded Turntrans-113.243.9-177.3-65.6171.8000112.7G130 I131 V134 F135 D149 L150 E151 L155 I156 Q253 I257G130-L153 WeakPolarHBondContact O-CD2 3.48Å; I131-L153 HydrophobicContact CG1-CD2 4.49Å; V134-L153 HydrophobicContact CG2-CD1 4.49Å; V134-L153 HydrophobicContact CG2-CD2 3.93Å; V134-L153 HydrophobicContact CG2-CG 4.05Å; F135-L153 HydrophobicContact CE2-CD1 3.65Å; F135-L153 HydrophobicContact CZ-CD1 4.28Å; D149-L153 WeakPolarHBondContact O-CG 3.09Å; D149-L153 PolarHBondContact O-N 3.43Å; L150-L153 PolarHBondContact O-N 2.9Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 3.44Å; L153-L155 PolarHBondContact O-N 3.04Å; L153-L155 VanDerWaalsContact O-N 3.15Å; L153-I156 HydrophobicContact CB-CD1 4.19Å; L153-I156 HydrophobicContact CD1-CD1 4.44Å; L153-I156 PolarHBondContact O-N 3.47Å; L153-I156 VanDerWaalsContact O-N 3.09Å; L153-Q253 PolarHBondContact O-NE2 3.09Å; L153-I257 HydrophobicContact CD1-CD1 3.62Å; L153-I257 HydrophobicContact CD1-CG1 4.08Å
154L94.3Very high94.7Very high69 Ų6949.1 Ų49.136%0.36124%0.244SC..Hα-helixtrans-56-33.7-174.8-64.4-177.6000114.3E151 I156 K157 W158E151-L154 VanDerWaalsContact O-CD2 3.29Å; E151-L154 WeakPolarHBondContact O-CD2 3.44Å; E151-L154 VanDerWaalsContact O-CG 3.23Å; E151-L154 WeakPolarHBondContact O-CG 3.36Å; L154-I156 PolarHBondContact O-N 2.97Å; L154-K157 WeakPolarHBondContact O-CB 3.41Å; L154-K157 PolarHBondContact O-N 3.3Å; L154-K157 VanDerWaalsContact O-N 3.1Å; L154-W158 HydrophobicContact CB-CD2 4.5Å; L154-W158 HydrophobicContact CB-CH2 4.39Å; L154-W158 HydrophobicContact CB-CZ2 3.9Å; L154-W158 HydrophobicContact CD1-CZ2 4.09Å; L154-W158 PolarHBondContact O-N 2.97Å
155L97.6Very high95Very high47 Ų4739.9 Ų39.925%0.24620%0.204CC..Hα-helixtrans-59.8-36.4-179.7-17957.8000111.9A126 I127 L153 W158 C159 P215A126-L155 HydrophobicContact CB-CD2 3.55Å; I127-L155 HydrophobicContact CD1-CG 4.44Å; I127-L155 HydrophobicContact CG1-CB 4.45Å; I127-L155 HydrophobicContact CG1-CD2 3.76Å; I127-L155 HydrophobicContact CG1-CG 3.86Å; L153-L155 PolarHBondContact O-N 3.04Å; L153-L155 VanDerWaalsContact O-N 3.15Å; L155-W158 HydrophobicContact CD1-CE3 4.03Å; L155-W158 PolarHBondContact O-N 3.44Å; L155-C159 PolarHBondContact O-N 3.47Å; L155-C159 PolarHBondContact O-SG 2.87Å; L155-P215 HydrophobicContact CD1-CB 4.16Å
156I97.7Very high95.1Very high2 Ų238.8 Ų38.81%0.0120%0.197CC..Hα-helixtrans-68-44.3177.2-55.4176.9000109.6I127 I131 L153 L154 W158 C159 V160 Q253 I256 I257I127-I156 HydrophobicContact CB-CG1 4.43Å; I127-I156 HydrophobicContact CD1-CG1 4.14Å; I127-I156 HydrophobicContact CG1-CG1 3.92Å; I127-I156 HydrophobicContact CG2-CD1 3.84Å; I127-I156 HydrophobicContact CG2-CG1 3.8Å; I131-I156 HydrophobicContact CD1-CD1 4.2Å; I131-I156 HydrophobicContact CG1-CD1 4.14Å; L153-I156 HydrophobicContact CB-CD1 4.19Å; L153-I156 HydrophobicContact CD1-CD1 4.44Å; L153-I156 PolarHBondContact O-N 3.47Å; L153-I156 VanDerWaalsContact O-N 3.09Å; L154-I156 PolarHBondContact O-N 2.97Å; I156-W158 VanDerWaalsContact C-N 3.29Å; I156-W158 PolarHBondContact O-N 3.04Å; I156-C159 WeakPolarHBondContact O-CB 3.32Å; I156-C159 PolarHBondContact O-N 3.17Å; I156-C159 VanDerWaalsContact O-N 3.14Å; I156-V160 WeakPolarHBondContact O-CG2 3.29Å; I156-V160 PolarHBondContact O-N 3.07Å; I156-Q253 HydrophobicContact CB-CG 4.18Å; I156-Q253 HydrophobicContact CG2-CG 3.82Å; I156-I256 HydrophobicContact CG2-CB 4.09Å; I156-I256 HydrophobicContact CG2-CG2 3.96Å; I156-I257 HydrophobicContact CD1-CD1 4.05Å; I156-I257 HydrophobicContact CD1-CG1 3.32Å
157K96.1Very high95.1Very high39 Ų3937 Ų3717%0.1718%0.183CC..Hα-helixtrans-58.6-41.4174.5-174.5174.2-178.5175.80111.7L154 V160 L161 L223L154-K157 WeakPolarHBondContact O-CB 3.41Å; L154-K157 PolarHBondContact O-N 3.3Å; L154-K157 VanDerWaalsContact O-N 3.1Å; K157-V160 PolarHBondContact O-N 3.1Å; K157-L161 HydrophobicContact CG-CD1 4.42Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.29Å; K157-L223 HydrophobicContact CD-CD1 4.26Å
158W97.9Very high95Very high36 Ų3630.3 Ų30.314%0.13615%0.152CC..Hα-helixtrans-65.4-38.5175.5-63.1-13.6000112.6L154 L155 I156 V160 L161 E162 P215 W218 K219L154-W158 HydrophobicContact CB-CD2 4.5Å; L154-W158 HydrophobicContact CB-CH2 4.39Å; L154-W158 HydrophobicContact CB-CZ2 3.9Å; L154-W158 HydrophobicContact CD1-CZ2 4.09Å; L154-W158 PolarHBondContact O-N 2.97Å; L155-W158 HydrophobicContact CD1-CE3 4.03Å; L155-W158 PolarHBondContact O-N 3.44Å; I156-W158 VanDerWaalsContact C-N 3.29Å; I156-W158 PolarHBondContact O-N 3.04Å; W158-V160 VanDerWaalsContact C-N 3.33Å; W158-L161 PolarHBondContact O-N 2.9Å; W158-E162 WeakPolarHBondContact O-CB 3.29Å; W158-E162 PolarHBondContact O-N 3.17Å; W158-P215 HydrophobicContact CB-CB 3.83Å; W158-P215 WeakPolarHBondContact CB-O 3.45Å; W158-W218 HydrophobicContact CB-CB 3.92Å; W158-W218 HydrophobicContact CB-CG 4.24Å; W158-W218 HydrophobicContact CD2-CB 4.18Å; W158-W218 HydrophobicContact CG-CB 3.53Å; W158-W218 HydrophobicContact CG-CG 4.35Å; W158-W218 VanDerWaalsContact O-CD1 3.29Å; W158-K219 HydrophobicContact CE3-CG 4.24Å; W158-K219 HydrophobicContact CH2-CB 4.43Å; W158-K219 HydrophobicContact CH2-CD 4.05Å; W158-K219 HydrophobicContact CH2-CG 3.24Å; W158-K219 HydrophobicContact CZ2-CB 4.47Å; W158-K219 HydrophobicContact CZ2-CG 3.67Å; W158-K219 HydrophobicContact CZ3-CD 4.11Å; W158-K219 HydrophobicContact CZ3-CG 3.55Å
159C98.5Very high94.3Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-63-40.1174-68.50000111.7T113 V117 L155 I156 T163 F213 P215T113-C159 HydrophobicContact CG2-CB 4.05Å; V117-C159 HydrophobicContact CG2-CB 4.07Å; L155-C159 PolarHBondContact O-N 3.47Å; L155-C159 PolarHBondContact O-SG 2.87Å; I156-C159 WeakPolarHBondContact O-CB 3.32Å; I156-C159 PolarHBondContact O-N 3.17Å; I156-C159 VanDerWaalsContact O-N 3.14Å; C159-T163 VanDerWaalsContact O-CB 3.29Å; C159-T163 WeakPolarHBondContact O-CB 3.36Å; C159-T163 PolarHBondContact O-N 2.79Å; C159-T163 PolarHBondContact O-OG1 3.25Å; C159-F213 HydrophobicContact CB-CZ 3.9Å; C159-P215 HydrophobicContact CB-CG 4.49Å; C159-P215 VanDerWaalsContact SG-CG 3.57Å
160V97.9Very high93.4Very high2 Ų226.2 Ų26.21%0.01214%0.138CC..Hα-helixtrans-63.1-48.3174.8175.60000110.7V109 T113 I156 K157 W158 E162 T163 I164 L249 V252V109-V160 HydrophobicContact CG1-CG1 4.08Å; T113-V160 HydrophobicContact CG2-CG2 3.88Å; I156-V160 WeakPolarHBondContact O-CG2 3.29Å; I156-V160 PolarHBondContact O-N 3.07Å; K157-V160 PolarHBondContact O-N 3.1Å; W158-V160 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.21Å; V160-T163 WeakPolarHBondContact O-CB 3.45Å; V160-T163 PolarHBondContact O-N 3.24Å; V160-I164 HydrophobicContact CG1-CD1 3.95Å; V160-I164 VanDerWaalsContact O-CG1 3.31Å; V160-I164 WeakPolarHBondContact O-CG1 3.25Å; V160-I164 PolarHBondContact O-N 3.42Å; V160-L249 HydrophobicContact CG1-CD2 3.75Å; V160-V252 HydrophobicContact CB-CG1 4.48Å; V160-V252 HydrophobicContact CG1-CB 4.32Å; V160-V252 HydrophobicContact CG1-CG1 3.98Å; V160-V252 HydrophobicContact CG2-CB 4.41Å; V160-V252 HydrophobicContact CG2-CG1 3.63Å
161L97.4Very high92.9Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-63.3-41.1179.6-68.2170.5000112.2K157 W158 T163 I164 R165 W218 L223 F228 F232 L249K157-L161 HydrophobicContact CG-CD1 4.42Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.29Å; W158-L161 PolarHBondContact O-N 2.9Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-I164 PolarHBondContact O-N 3.03Å; L161-R165 PolarHBondContact O-N 2.82Å; L161-W218 HydrophobicContact CB-CD2 3.66Å; L161-W218 VanDerWaalsContact CB-CE2 3.43Å; L161-W218 HydrophobicContact CB-CE3 4.09Å; L161-W218 HydrophobicContact CB-CG 4.15Å; L161-W218 HydrophobicContact CB-CH2 4.11Å; L161-W218 HydrophobicContact CB-CZ2 3.69Å; L161-W218 HydrophobicContact CB-CZ3 4.29Å; L161-W218 HydrophobicContact CD1-CD2 3.95Å; L161-W218 HydrophobicContact CD1-CE3 3.8Å; L161-W218 HydrophobicContact CD1-CG 4.3Å; L161-W218 HydrophobicContact CD1-CZ3 4.31Å; L161-W218 HydrophobicContact CG-CD2 4.45Å; L161-L223 HydrophobicContact CD1-CD1 3.84Å; L161-L223 HydrophobicContact CD1-CD2 3.84Å; L161-F228 HydrophobicContact CD1-CD1 4.5Å; L161-F228 HydrophobicContact CD1-CE1 4.4Å; L161-F228 HydrophobicContact CD2-CD1 4.12Å; L161-F228 HydrophobicContact CD2-CE1 3.67Å; L161-F232 HydrophobicContact CD2-CE1 3.98Å; L161-F232 HydrophobicContact CD2-CZ 4.13Å; L161-L249 HydrophobicContact CD2-CD1 4.31Å; L161-L249 HydrophobicContact CD2-CD2 3.82Å; L161-L249 HydrophobicContact CG-CD2 4.47Å
162E98.1Very high92.9Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-68.2-34.7176.5-170.665.4173.800112.1W158 V160 R165 L166 L212 F213 K214 P215 R217 W218W158-E162 WeakPolarHBondContact O-CB 3.29Å; W158-E162 PolarHBondContact O-N 3.17Å; V160-E162 PolarHBondContact O-N 3.21Å; E162-R165 VanDerWaalsContact CD-NE 3.27Å; E162-R165 WeakPolarHBondContact O-CB 3.43Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 3.67Å; E162-R165 IonicContact OE1-NE 3.62Å; E162-R165 PolarHBondContact OE1-NE 3.44Å; E162-R165 VanDerWaalsContact OE1-NE 3.11Å; E162-R165 IonicContact OE1-NH2 3.76Å; E162-R165 PolarHBondContact OE1-NH2 3.02Å; E162-R165 IonicContact OE2-CZ 2.67Å; E162-R165 IonicContact OE2-NE 3.04Å; E162-R165 PolarHBondContact OE2-NE 3.4Å; E162-L166 PolarHBondContact O-N 3.17Å; E162-L212 VanDerWaalsContact OE1-O 3.12Å; E162-F213 HydrophobicContact CB-CD2 4.06Å; E162-F213 HydrophobicContact CB-CE2 3.79Å; E162-F213 HydrophobicContact CG-CD2 3.51Å; E162-F213 HydrophobicContact CG-CE2 3.79Å; E162-F213 HydrophobicContact CG-CG 4.25Å; E162-K214 PolarHBondContact OE1-N 2.86Å; E162-K214 VanDerWaalsContact OE1-N 3.13Å; E162-P215 HydrophobicContact CB-CG 4.47Å; E162-R217 VanDerWaalsContact CD-NE 3.34Å; E162-R217 IonicContact OE1-CZ 2.92Å; E162-R217 IonicContact OE1-NE 2.71Å; E162-R217 PolarHBondContact OE1-NE 2.75Å; E162-R217 IonicContact OE1-NH2 3.39Å; E162-R217 PolarHBondContact OE1-NH2 3.46Å; E162-R217 WeakPolarHBondContact OE2-CD 3.49Å; E162-R217 IonicContact OE2-NE 3.22Å; E162-R217 PolarHBondContact OE2-NE 3.43Å; E162-R217 VanDerWaalsContact OE2-NE 3.08Å; E162-W218 PolarHBondContact OE2-NE1 2.82Å; E162-W218 VanDerWaalsContact OE2-NE1 3.13Å
163T97.8Very high92.7Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-62-48.5172-64.40000110.8V109 W112 T113 Y116 C159 V160 L161 R165 L166 K167V109-T163 HydrophobicContact CG1-CG2 4.42Å; W112-T163 HydrophobicContact CB-CG2 3.4Å; W112-T163 VanDerWaalsContact CB-CG2 3.4Å; T113-T163 WeakPolarHBondContact CA-OG1 3.39Å; T113-T163 WeakPolarHBondContact OG1-CB 3.46Å; T113-T163 PolarHBondContact OG1-OG1 3.49Å; Y116-T163 HydrophobicContact CD2-CG2 4.26Å; Y116-T163 HydrophobicContact CE2-CG2 4.41Å; C159-T163 VanDerWaalsContact O-CB 3.29Å; C159-T163 WeakPolarHBondContact O-CB 3.36Å; C159-T163 PolarHBondContact O-N 2.79Å; C159-T163 PolarHBondContact O-OG1 3.25Å; V160-T163 WeakPolarHBondContact O-CB 3.45Å; V160-T163 PolarHBondContact O-N 3.24Å; L161-T163 VanDerWaalsContact C-N 3.33Å; T163-R165 VanDerWaalsContact C-N 3.25Å; T163-R165 PolarHBondContact O-N 3.14Å; T163-L166 PolarHBondContact O-N 3.49Å; T163-K167 HydrophobicContact CG2-CG 4.45Å; T163-K167 WeakPolarHBondContact O-CB 3.3Å; T163-K167 PolarHBondContact O-N 3.1Å
164I95.9Very high92.4Very high15 Ų1524 Ų248%0.07713%0.125CC..Hα-helixtrans-62.1-36.7177.4-62.6163000110.7V109 V160 L161 K167 A168 F232 A234 F235 L249V109-I164 HydrophobicContact CG1-CD1 4.35Å; V109-I164 HydrophobicContact CG1-CG1 3.84Å; V109-I164 HydrophobicContact CG2-CG1 4.08Å; V160-I164 HydrophobicContact CG1-CD1 3.95Å; V160-I164 VanDerWaalsContact O-CG1 3.31Å; V160-I164 WeakPolarHBondContact O-CG1 3.25Å; V160-I164 PolarHBondContact O-N 3.42Å; L161-I164 PolarHBondContact O-N 3.03Å; I164-K167 CarbonylContact O-C 3.51Å; I164-A168 WeakPolarHBondContact O-CA 3.42Å; I164-A168 WeakPolarHBondContact O-CB 3.48Å; I164-A168 PolarHBondContact O-N 3.32Å; I164-F232 HydrophobicContact CB-CZ 4.43Å; I164-F232 HydrophobicContact CG2-CZ 4.3Å; I164-A234 HydrophobicContact CG2-CB 3.38Å; I164-F235 HydrophobicContact CD1-CZ 3.83Å; I164-L249 HydrophobicContact CD1-CD2 3.93Å
165R96.5Very high92.4Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-59.2-52.2174.9-171.5-169.46873.80.5111.3L161 E162 T163 H201 F207 P210 L212 W218 F232L161-R165 PolarHBondContact O-N 2.82Å; E162-R165 VanDerWaalsContact CD-NE 3.27Å; E162-R165 WeakPolarHBondContact O-CB 3.43Å; E162-R165 PolarHBondContact O-N 2.81Å; E162-R165 IonicContact OE1-CZ 3.67Å; E162-R165 IonicContact OE1-NE 3.62Å; E162-R165 PolarHBondContact OE1-NE 3.44Å; E162-R165 VanDerWaalsContact OE1-NE 3.11Å; E162-R165 IonicContact OE1-NH2 3.76Å; E162-R165 PolarHBondContact OE1-NH2 3.02Å; E162-R165 IonicContact OE2-CZ 2.67Å; E162-R165 IonicContact OE2-NE 3.04Å; E162-R165 PolarHBondContact OE2-NE 3.4Å; T163-R165 VanDerWaalsContact C-N 3.25Å; T163-R165 PolarHBondContact O-N 3.14Å; R165-H201 WeakPolarHBondContact CA-ND1 3.41Å; R165-H201 HydrophobicContact CG-CB 3.64Å; R165-H201 PolarHBondContact NH1-O 3.32Å; R165-H201 WeakPolarHBondContact O-CB 3.34Å; R165-H201 PolarHBondContact O-ND1 3.06Å; R165-H201 VanDerWaalsContact O-ND1 3.16Å; R165-F207 HydrophobicContact CG-CE1 4.37Å; R165-P210 PolarHBondContact NH1-O 3.46Å; R165-P210 PolarHBondContact NH2-O 2.88Å; R165-L212 PolarHBondContact NH2-O 3.49Å; R165-W218 HydrophobicContact CB-CZ2 4.33Å; R165-F232 HydrophobicContact CB-CD2 4.46Å; R165-F232 HydrophobicContact CB-CE2 3.96Å
166L95.6Very high92.3Very high3 Ų325.9 Ų25.92%0.01613%0.129CC..Hα-helixtrans-71.1-34.5-177.1-74.3176.1000113.2Y116 E162 T163 R202 P210 F213Y116-L166 HydrophobicContact CE1-CD1 4.13Å; Y116-L166 HydrophobicContact CE2-CB 4.47Å; Y116-L166 HydrophobicContact CE2-CD1 4.13Å; E162-L166 PolarHBondContact O-N 3.17Å; T163-L166 PolarHBondContact O-N 3.49Å; L166-R202 PolarHBondContact O-NH1 2.86Å; L166-R202 VanDerWaalsContact O-NH1 3.16Å; L166-R202 PolarHBondContact O-NH2 3.05Å; L166-P210 WeakPolarHBondContact CD2-O 3.48Å; L166-F213 HydrophobicContact CD1-CB 3.94Å; L166-F213 HydrophobicContact CD1-CD2 3.87Å; L166-F213 HydrophobicContact CD1-CG 4.42Å
167K93.8Very high92.3Very high15 Ų1531.4 Ų31.47%0.06516%0.163CC..THydrogen-bonded Turntrans-107.433.2-177.5-55-55.1-167.4-170.70112.1W112 Y116 T163 I164 V282 P283W112-K167 HydrophobicContact CB-CG 4.2Å; W112-K167 HydrophobicContact CD2-CD 4.14Å; W112-K167 VanDerWaalsContact CD2-CE 3.44Å; W112-K167 HydrophobicContact CD2-CG 4.05Å; W112-K167 HydrophobicContact CG-CD 4.4Å; W112-K167 HydrophobicContact CG-CG 3.79Å; W112-K167 HydrophobicContact CZ2-CD 4.38Å; Y116-K167 HydrophobicContact CE2-CG 4.31Å; Y116-K167 WeakPolarHBondContact OH-CE 3.43Å; Y116-K167 PolarHBondContact OH-NZ 3.32Å; T163-K167 HydrophobicContact CG2-CG 4.45Å; T163-K167 WeakPolarHBondContact O-CB 3.3Å; T163-K167 PolarHBondContact O-N 3.1Å; I164-K167 CarbonylContact O-C 3.51Å; K167-V282 HydrophobicContact CB-CG1 4.17Å; K167-P283 VanDerWaalsContact O-CD 3.24Å; K167-P283 WeakPolarHBondContact O-CD 3.37Å
168A86.9Confident92.3Very high1 Ų137.4 Ų37.41%0.00819%0.189CC..  trans-66.3148.7177.500000111.2I164 P197 H201I164-A168 WeakPolarHBondContact O-CA 3.42Å; I164-A168 WeakPolarHBondContact O-CB 3.48Å; I164-A168 PolarHBondContact O-N 3.32Å; A168-P197 HydrophobicContact CB-CB 3.95Å; A168-H201 VanDerWaalsContact CB-ND1 3.28Å; A168-H201 WeakPolarHBondContact CB-ND1 3.28Å
169P77.9Confident92.2Very high27 Ų2740 Ų4018%0.17521%0.21CC..  trans-58.8154.2174.324.6-33.9000111.5F198 G281P169-F198 PolarHBondContact O-N 2.99Å; P169-G281 WeakPolarHBondContact CB-O 3.47Å
170G73.4Confident92.1Very high29 Ų2942.6 Ų42.630%0.29923%0.226SC..SBendtrans-66.2-42.3-175.900000113.1S196G170-S196 WeakPolarHBondContact O-CB 3.15Å; G170-S196 PolarHBondContact O-OG 3.25Å
171V82.8Confident92.1Very high19 Ų1949.2 Ų49.212%0.11526%0.257CS..  trans-155.7148.2-173.367.70000114.5M194 L195 L279V171-M194 HydrophobicContact CB-CE 4.28Å; V171-M194 HydrophobicContact CG1-CE 4.16Å; V171-M194 HydrophobicContact CG2-CB 3.61Å; V171-M194 HydrophobicContact CG2-CE 3.63Å; V171-M194 HydrophobicContact CG2-CG 3.88Å; V171-L195 CarbonylContact C-O 3.59Å; V171-L195 WeakPolarHBondContact CA-O 3.29Å; V171-L279 HydrophobicContact CG1-CD1 3.67Å; V171-L279 HydrophobicContact CG1-CD2 4.03Å; V171-L279 HydrophobicContact CG1-CG 3.7Å
172I86.7Confident91.9Very high41 Ų4152.9 Ų52.921%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-114.3117.2165-59.8168.9000107.4L195 P197 M233I172-L195 HydrophobicContact CB-CB 4.47Å; I172-L195 PolarHBondContact N-O 3.15Å; I172-L195 PolarHBondContact O-N 2.88Å; I172-P197 HydrophobicContact CD1-CG 3.81Å; I172-P197 HydrophobicContact CG1-CG 4.2Å; I172-M233 HydrophobicContact CD1-SD 4.13Å
173T88Confident91.7Very high52 Ų5259.7 Ų59.732%0.31931%0.311SS..EExtended strand (participates in β ladder)trans-107.6142.4-174.7-52.40000112L192 L193 M194T173-L192 HydrophobicContact CG2-CB 4.01Å; T173-L192 HydrophobicContact CG2-CD1 4.17Å; T173-L192 HydrophobicContact CG2-CD2 3.99Å; T173-L192 HydrophobicContact CG2-CG 4.28Å; T173-L193 CarbonylContact C-O 3.28Å; T173-L193 WeakPolarHBondContact CA-O 3.34Å; T173-M194 HydrophobicContact CG2-CG 4.03Å
174R90.1Very high91.6Very high107 Ų10767.1 Ų67.140%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-135.3134.7172.1-67-65.1-179.2-862.2110.3L192 L193 F240R174-L192 WeakPolarHBondContact O-CA 3.34Å; R174-L193 PolarHBondContact N-O 2.86Å; R174-L193 PolarHBondContact O-N 2.87Å; R174-F240 VanDerWaalsContact NH2-CG 3.35Å
175K93.1Very high91.6Very high146 Ų14674.6 Ų74.664%0.63538%0.379SS*.EExtended strand (participates in β ladder)trans-81.6128.3170.2-170.5174.9-176.4175.30109.8V177 L192K175-V177 PolarHBondContact O-N 3Å; K175-L192 HydrophobicContact CB-CD2 4.04Å; K175-L192 HydrophobicContact CG-CD2 4.32Å
176V96.2Very high91.6Very high9 Ų980.8 Ų80.86%0.05541%0.411CS..  trans-74117174.7-178.80000108.3K178 V180 I187 P188 S189 G190 D191 L193V176-K178 WeakPolarHBondContact CG1-O 3.3Å; V176-V180 HydrophobicContact CG1-CG1 4.08Å; V176-V180 HydrophobicContact CG2-CG1 4.44Å; V176-I187 HydrophobicContact CG2-CG2 3.83Å; V176-P188 WeakPolarHBondContact CB-O 3.45Å; V176-P188 VanDerWaalsContact CG1-O 3.3Å; V176-P188 WeakPolarHBondContact CG1-O 3.2Å; V176-S189 PolarHBondContact O-OG 2.78Å; V176-G190 PolarHBondContact O-N 2.98Å; V176-D191 PolarHBondContact N-O 2.9Å; V176-L193 HydrophobicContact CG2-CD1 3.62Å; V176-L193 HydrophobicContact CG2-CG 3.69Å
177V96.6Very high91.7Very high119 Ų11982 Ų8272%0.72142%0.417SS*.SBendtrans-93.2-23.7-177.8-64.70000113.1K175 S189K175-V177 PolarHBondContact O-N 3Å; V177-S189 VanDerWaalsContact C-OG 3.25Å; V177-S189 PolarHBondContact O-OG 2.91Å
178K96.9Very high91.9Very high165 Ų16584.2 Ų84.272%0.71743%0.433SS*.SBendtrans-143.3145.9175-65.6-176.3-178.2-178.50107.6V176 V180V176-K178 WeakPolarHBondContact CG1-O 3.3Å; K178-V180 PolarHBondContact O-N 3.47Å
179P96.9Very high92.4Very high89 Ų8987.4 Ų87.458%0.57846%0.455SS*.  trans-50.7135179.4-26.435000111.4I186 I187P179-I186 HydrophobicContact CB-CG2 4.2Å; P179-I187 VanDerWaalsContact CA-O 3.23Å; P179-I187 WeakPolarHBondContact CA-O 3.41Å
180V96.5Very high93.2Very high56 Ų5688 Ų8834%0.33947%0.466SS..EExtended strand (participates in β ladder)trans-128.3134.2-17863.70000109.6V176 K178 I182 I187 L193V176-V180 HydrophobicContact CG1-CG1 4.08Å; V176-V180 HydrophobicContact CG2-CG1 4.44Å; K178-V180 PolarHBondContact O-N 3.47Å; V180-I182 HydrophobicContact CG1-CG1 4.46Å; V180-I182 HydrophobicContact CG2-CG1 4.38Å; V180-I187 HydrophobicContact CG1-CB 4.03Å; V180-I187 HydrophobicContact CG1-CD1 4.18Å; V180-I187 PolarHBondContact N-O 3.48Å; V180-I187 PolarHBondContact O-N 3.01Å; V180-L193 HydrophobicContact CG1-CD1 4.24Å
181E96.6Very high94.3Very high140 Ų14090.3 Ų90.365%0.65447%0.472SS*.EExtended strand (participates in β ladder)trans-88.2123.5173-172.5175.1-178.500109.3L183 Y185E181-L183 WeakPolarHBondContact CG-O 3.4Å; E181-Y185 CarbonylContact C-O 3.52Å; E181-Y185 WeakPolarHBondContact CA-O 3.29Å
182I94.3Very high94.8Very high77 Ų7794.7 Ų94.740%0.39549%0.494SS..EExtended strand (participates in β ladder)trans-124.2115.4172-59.3-174.7000107.4V180 N184 Y185 I187 L193V180-I182 HydrophobicContact CG1-CG1 4.46Å; V180-I182 HydrophobicContact CG2-CG1 4.38Å; I182-N184 PolarHBondContact O-N 3.28Å; I182-Y185 PolarHBondContact N-O 3.33Å; I182-Y185 PolarHBondContact O-N 2.85Å; I182-I187 HydrophobicContact CB-CD1 3.95Å; I182-I187 HydrophobicContact CD1-CD1 3.38Å; I182-I187 HydrophobicContact CG1-CD1 3.64Å; I182-L193 HydrophobicContact CD1-CD1 3.98Å; I182-L193 HydrophobicContact CD1-CD2 4.38Å
183L93.4Very high95Very high144 Ų14495.4 Ų95.475%0.75450%0.498SS*.THydrogen-bonded Turntrans54.5-121.4-168-54.8173.3000109.3E181E181-L183 WeakPolarHBondContact CG-O 3.4Å
184N95.3Very high95.2Very high155 Ų15598.8 Ų98.883%0.82951%0.512SS*.THydrogen-bonded Turntrans-102.518.2-179.9-58-12.6000112.4I182I182-N184 PolarHBondContact O-N 3.28Å
185Y96.1Very high95.1Very high172 Ų17298.6 Ų98.668%0.67552%0.518SS*.EExtended strand (participates in β ladder)trans-114.7132.1-177.5-62.3-82.5000111.2E181 I182E181-Y185 CarbonylContact C-O 3.52Å; E181-Y185 WeakPolarHBondContact CA-O 3.29Å; I182-Y185 PolarHBondContact N-O 3.33Å; I182-Y185 PolarHBondContact O-N 2.85Å
186I97.1Very high95Very high130 Ų13093.3 Ų93.367%0.66750%0.499SS*.EExtended strand (participates in β ladder)trans-94.9117.4170.4-59.2173.4000108.1P179P179-I186 HydrophobicContact CB-CG2 4.2Å
187I97Very high94.7Very high28 Ų2892.9 Ų92.914%0.14450%0.497CS..EExtended strand (participates in β ladder)trans-95.4120.9175.7-60145.6000107.8V176 P179 V180 I182 D191 L193V176-I187 HydrophobicContact CG2-CG2 3.83Å; P179-I187 VanDerWaalsContact CA-O 3.23Å; P179-I187 WeakPolarHBondContact CA-O 3.41Å; V180-I187 HydrophobicContact CG1-CB 4.03Å; V180-I187 HydrophobicContact CG1-CD1 4.18Å; V180-I187 PolarHBondContact N-O 3.48Å; V180-I187 PolarHBondContact O-N 3.01Å; I182-I187 HydrophobicContact CB-CD1 3.95Å; I182-I187 HydrophobicContact CD1-CD1 3.38Å; I182-I187 HydrophobicContact CG1-CD1 3.64Å; I187-D191 HydrophobicContact CG2-CB 3.93Å; I187-L193 HydrophobicContact CD1-CD1 4.23Å; I187-L193 HydrophobicContact CD1-CD2 3.55Å; I187-L193 HydrophobicContact CD1-CG 4.42Å; I187-L193 HydrophobicContact CG1-CD2 4.3Å; I187-L193 HydrophobicContact CG2-CD2 4.19Å; I187-L193 HydrophobicContact CG2-CG 4.42Å
188P97.2Very high94.4Very high63 Ų6389.4 Ų89.441%0.40947%0.472SS..PPolyproline II helixtrans-71.9161.2-174.629.4-34.5000112.8V176 D191V176-P188 WeakPolarHBondContact CB-O 3.45Å; V176-P188 VanDerWaalsContact CG1-O 3.3Å; V176-P188 WeakPolarHBondContact CG1-O 3.2Å; P188-D191 WeakPolarHBondContact CD-OD2 3.33Å; P188-D191 WeakPolarHBondContact CG-OD2 3.45Å
189S97.7Very high94.2Very high67 Ų6790.6 Ų90.647%0.46947%0.472SS..THydrogen-bonded Turntrans-65.9139.2171.2-173.90000110.5V176 V177V176-S189 PolarHBondContact O-OG 2.78Å; V177-S189 VanDerWaalsContact C-OG 3.25Å; V177-S189 PolarHBondContact O-OG 2.91Å
190G95.6Very high94Very high39 Ų3988.6 Ų88.640%0.40246%0.456SS..THydrogen-bonded Turntrans104.4-28.9-176.100000113.7V176V176-G190 PolarHBondContact O-N 2.98Å
191D95.8Very high93.9Very high79 Ų7985.9 Ų85.942%0.42244%0.44SS..PPolyproline II helixtrans-68.2157.8-177.8-7913.9000113V176 I187 P188V176-D191 PolarHBondContact N-O 2.9Å; I187-D191 HydrophobicContact CG2-CB 3.93Å; P188-D191 WeakPolarHBondContact CD-OD2 3.33Å; P188-D191 WeakPolarHBondContact CG-OD2 3.45Å
192L93.2Very high93.8Very high110 Ų11080.6 Ų80.658%0.57641%0.414SS*.EExtended strand (participates in β ladder)trans-101.8121.5174.1-63.3-178.7000110.4T173 R174 K175T173-L192 HydrophobicContact CG2-CB 4.01Å; T173-L192 HydrophobicContact CG2-CD1 4.17Å; T173-L192 HydrophobicContact CG2-CD2 3.99Å; T173-L192 HydrophobicContact CG2-CG 4.28Å; R174-L192 WeakPolarHBondContact O-CA 3.34Å; K175-L192 HydrophobicContact CB-CD2 4.04Å; K175-L192 HydrophobicContact CG-CD2 4.32Å
193L92.4Very high93.9Very high57 Ų5779.8 Ų79.830%0.29841%0.411SS..EExtended strand (participates in β ladder)trans-91126.7166.3-71.9172.3000110.1T173 R174 V176 V180 I182 I187T173-L193 CarbonylContact C-O 3.28Å; T173-L193 WeakPolarHBondContact CA-O 3.34Å; R174-L193 PolarHBondContact N-O 2.86Å; R174-L193 PolarHBondContact O-N 2.87Å; V176-L193 HydrophobicContact CG2-CD1 3.62Å; V176-L193 HydrophobicContact CG2-CG 3.69Å; V180-L193 HydrophobicContact CG1-CD1 4.24Å; I182-L193 HydrophobicContact CD1-CD1 3.98Å; I182-L193 HydrophobicContact CD1-CD2 4.38Å; I187-L193 HydrophobicContact CD1-CD1 4.23Å; I187-L193 HydrophobicContact CD1-CD2 3.55Å; I187-L193 HydrophobicContact CD1-CG 4.42Å; I187-L193 HydrophobicContact CG1-CD2 4.3Å; I187-L193 HydrophobicContact CG2-CD2 4.19Å; I187-L193 HydrophobicContact CG2-CG 4.42Å
194M90.4Very high94Very high122 Ų12277 Ų7760%0.60140%0.401SS*.EExtended strand (participates in β ladder)trans-120.6121-176-69.7173.583.500109.7V171 T173V171-M194 HydrophobicContact CB-CE 4.28Å; V171-M194 HydrophobicContact CG1-CE 4.16Å; V171-M194 HydrophobicContact CG2-CB 3.61Å; V171-M194 HydrophobicContact CG2-CE 3.63Å; V171-M194 HydrophobicContact CG2-CG 3.88Å; T173-M194 HydrophobicContact CG2-CG 4.03Å
195L88.9Confident94Very high104 Ų10477.2 Ų77.255%0.54540%0.395SS..EExtended strand (participates in β ladder)trans-105.9132.9171.4-63.9172000108.2V171 I172 P197V171-L195 CarbonylContact C-O 3.59Å; V171-L195 WeakPolarHBondContact CA-O 3.29Å; I172-L195 HydrophobicContact CB-CB 4.47Å; I172-L195 PolarHBondContact N-O 3.15Å; I172-L195 PolarHBondContact O-N 2.88Å; L195-P197 WeakPolarHBondContact O-CD 3.33Å
196S90.2Very high93.9Very high34 Ų3473.3 Ų73.324%0.23838%0.38CS..  trans-112.9101.7179.9-176.70000111.7G170 F198 W199 L200G170-S196 WeakPolarHBondContact O-CB 3.15Å; G170-S196 PolarHBondContact O-OG 3.25Å; S196-F198 PolarHBondContact O-N 3Å; S196-W199 PolarHBondContact O-N 3.01Å; S196-W199 VanDerWaalsContact OG-CD1 3.23Å; S196-W199 PolarHBondContact OG-N 3.4Å; S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 PolarHBondContact O-N 2.81Å
197P90.9Very high93.9Very high1 Ų167.1 Ų67.11%0.00635%0.348CS..Hα-helixtrans-54.6-39.7166.6-28.437.6000112.2A168 I172 L195 W199 L200 H201 M233A168-P197 HydrophobicContact CB-CB 3.95Å; I172-P197 HydrophobicContact CD1-CG 3.81Å; I172-P197 HydrophobicContact CG1-CG 4.2Å; L195-P197 WeakPolarHBondContact O-CD 3.33Å; P197-W199 PolarHBondContact O-N 3.42Å; P197-L200 PolarHBondContact O-N 3.45Å; P197-H201 WeakPolarHBondContact O-CB 3.42Å; P197-H201 PolarHBondContact O-CD2 3.49Å; P197-H201 PolarHBondContact O-N 2.87Å; P197-M233 WeakPolarHBondContact CB-O 3.47Å; P197-M233 HydrophobicContact CG-CG 4.42Å; P197-M233 HydrophobicContact CG-SD 4.49Å
198F90.5Very high93.8Very high46 Ų4669.4 Ų69.420%0.20237%0.365CS..Hα-helixtrans-52.7-51.8177178.5-88.6000112.8P169 S196 R202P169-F198 PolarHBondContact O-N 2.99Å; S196-F198 PolarHBondContact O-N 3Å; F198-R202 WeakPolarHBondContact O-CG 3.32Å; F198-R202 PolarHBondContact O-N 3.01Å
199W91.6Very high93.8Very high189 Ų18971.2 Ų71.272%0.71637%0.368SS*.Hα-helixtrans-71.4-41.5178.5-75.6110.4000112.2S196 P197 H201 R202 N203S196-W199 PolarHBondContact O-N 3.01Å; S196-W199 VanDerWaalsContact OG-CD1 3.23Å; S196-W199 PolarHBondContact OG-N 3.4Å; P197-W199 PolarHBondContact O-N 3.42Å; W199-H201 VanDerWaalsContact C-N 3.33Å; W199-H201 PolarHBondContact O-N 2.84Å; W199-R202 CarbonylContact O-C 3.57Å; W199-R202 PolarHBondContact O-N 3.22Å; W199-R202 VanDerWaalsContact O-N 3.13Å; W199-N203 PolarHBondContact O-N 3.26Å
200L93.5Very high93.7Very high47 Ų4769.2 Ų69.225%0.24635%0.353CS..Hα-helixtrans-60.4-44.7-179.5-174.763.2000111.6S196 P197 R202 N203 Y206 C231 M233S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 PolarHBondContact O-N 2.81Å; P197-L200 PolarHBondContact O-N 3.45Å; L200-R202 PolarHBondContact O-N 3.47Å; L200-N203 WeakPolarHBondContact O-CB 3.47Å; L200-N203 PolarHBondContact O-N 3.35Å; L200-Y206 HydrophobicContact CD1-CD2 4.44Å; L200-Y206 HydrophobicContact CD1-CE2 4.46Å; L200-C231 HydrophobicContact CD1-CB 3.77Å; L200-C231 HydrophobicContact CD2-CB 4.19Å; L200-C231 WeakPolarHBondContact CD2-O 3.3Å; L200-C231 HydrophobicContact CG-CB 3.96Å; L200-C231 VanDerWaalsContact CG-O 3.26Å; L200-C231 WeakPolarHBondContact CG-O 3.36Å; L200-M233 HydrophobicContact CD2-CB 4.08Å
201H95.1Very high93.7Very high0 Ų072.8 Ų72.80%036%0.359CS..THydrogen-bonded Turntrans-68.9-15.8178.6-71.5178.9000114.1R165 A168 P197 W199 F207 F232 M233R165-H201 WeakPolarHBondContact CA-ND1 3.41Å; R165-H201 HydrophobicContact CG-CB 3.64Å; R165-H201 PolarHBondContact NH1-O 3.32Å; R165-H201 WeakPolarHBondContact O-CB 3.34Å; R165-H201 PolarHBondContact O-ND1 3.06Å; R165-H201 VanDerWaalsContact O-ND1 3.16Å; A168-H201 VanDerWaalsContact CB-ND1 3.28Å; A168-H201 WeakPolarHBondContact CB-ND1 3.28Å; P197-H201 WeakPolarHBondContact O-CB 3.42Å; P197-H201 PolarHBondContact O-CD2 3.49Å; P197-H201 PolarHBondContact O-N 2.87Å; W199-H201 VanDerWaalsContact C-N 3.33Å; W199-H201 PolarHBondContact O-N 2.84Å; H201-F207 VanDerWaalsContact O-CD2 3.27Å; H201-F207 WeakPolarHBondContact O-CD2 3.41Å; H201-F232 AromaticContact CE1-CD2 3.73Å; H201-F232 AromaticContact CE1-CE2 3.86Å; H201-F232 AromaticContact NE2-CD2 3.48Å; H201-F232 WeakPolarHBondContact NE2-CD2 3.44Å; H201-M233 PolarHBondContact NE2-N 3.07Å
202R94.4Very high93.8Very high28 Ų2873.3 Ų73.311%0.10636%0.361CS..THydrogen-bonded Turntrans-104.15.1177.9-73.8175.5165.675.42.1113.6L166 F198 W199 L200 P204 P210 E211L166-R202 PolarHBondContact O-NH1 2.86Å; L166-R202 VanDerWaalsContact O-NH1 3.16Å; L166-R202 PolarHBondContact O-NH2 3.05Å; F198-R202 WeakPolarHBondContact O-CG 3.32Å; F198-R202 PolarHBondContact O-N 3.01Å; W199-R202 CarbonylContact O-C 3.57Å; W199-R202 PolarHBondContact O-N 3.22Å; W199-R202 VanDerWaalsContact O-N 3.13Å; L200-R202 PolarHBondContact O-N 3.47Å; R202-P204 VanDerWaalsContact O-CD 3.29Å; R202-P204 WeakPolarHBondContact O-CD 3.15Å; R202-P210 HydrophobicContact CB-CB 4.25Å; R202-P210 VanDerWaalsContact O-CB 3.26Å; R202-P210 WeakPolarHBondContact O-CB 3.5Å; R202-P210 WeakPolarHBondContact O-CG 3.39Å; R202-E211 WeakPolarHBondContact CD-OE1 3.27Å; R202-E211 WeakPolarHBondContact CG-OE1 3.26Å; R202-E211 IonicContact CZ-OE2 3.93Å; R202-E211 IonicContact NE-OE1 2.94Å; R202-E211 PolarHBondContact NE-OE1 3.45Å; R202-E211 VanDerWaalsContact NE-OE1 3.14Å; R202-E211 IonicContact NE-OE2 3.11Å; R202-E211 PolarHBondContact NE-OE2 3.38Å; R202-E211 IonicContact NH2-OE2 2.79Å
203N95.5Very high94Very high60 Ų6068.7 Ų68.732%0.32134%0.337SS..  trans-75.3115.6177.6-172.8-31.4000110.1W199 L200 K205 Y206 F207W199-N203 PolarHBondContact O-N 3.26Å; L200-N203 WeakPolarHBondContact O-CB 3.47Å; L200-N203 PolarHBondContact O-N 3.35Å; N203-K205 PolarHBondContact O-N 3.04Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.38Å; N203-K205 PolarHBondContact OD1-N 3.08Å; N203-Y206 HydrophobicContact CB-CD2 3.96Å; N203-Y206 PolarHBondContact O-N 3.37Å; N203-F207 PolarHBondContact O-N 3.44Å
204P96.1Very high94.3Very high86 Ų8668.3 Ų68.356%0.55833%0.333SS*.THydrogen-bonded Turntrans-64.3-17.7-176.226.3-34.9000113.8R202 Y206 F207 P210R202-P204 VanDerWaalsContact O-CD 3.29Å; R202-P204 WeakPolarHBondContact O-CD 3.15Å; P204-Y206 VanDerWaalsContact C-N 3.32Å; P204-F207 WeakPolarHBondContact CA-O 3.41Å; P204-P210 HydrophobicContact CB-CG 4.37Å
205K95.1Very high94.6Very high160 Ų16062.5 Ų62.570%0.69630%0.304SS*.THydrogen-bonded Turntrans-62.9-38.7172.5-175.9-177.2175.5-172.80112N203N203-K205 PolarHBondContact O-N 3.04Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.38Å; N203-K205 PolarHBondContact OD1-N 3.08Å
206Y93.6Very high95Very high89 Ų8961.6 Ų61.635%0.34930%0.297SS..THydrogen-bonded Turntrans-101.5-33.7-177.2-55.4-63.4000111.7L200 N203 P204 C231L200-Y206 HydrophobicContact CD1-CD2 4.44Å; L200-Y206 HydrophobicContact CD1-CE2 4.46Å; N203-Y206 HydrophobicContact CB-CD2 3.96Å; N203-Y206 PolarHBondContact O-N 3.37Å; P204-Y206 VanDerWaalsContact C-N 3.32Å; Y206-C231 HydrophobicContact CD1-CB 4.1Å; Y206-C231 HydrophobicContact CD2-CB 3.79Å; Y206-C231 VanDerWaalsContact CE1-SG 3.58Å; Y206-C231 HydrophobicContact CE2-CB 4.26Å; Y206-C231 HydrophobicContact CG-CB 3.71Å; Y206-C231 VanDerWaalsContact CZ-SG 3.54Å
207F96.1Very high95.2Very high1 Ų161.4 Ų61.40%0.00429%0.291CS..SBendtrans-126.186.3179.5-59.7-79000110.4R165 H201 N203 P204 P210 L229 F232R165-F207 HydrophobicContact CG-CE1 4.37Å; H201-F207 VanDerWaalsContact O-CD2 3.27Å; H201-F207 WeakPolarHBondContact O-CD2 3.41Å; N203-F207 PolarHBondContact O-N 3.44Å; P204-F207 WeakPolarHBondContact CA-O 3.41Å; F207-P210 WeakPolarHBondContact O-CA 3.42Å; F207-P210 WeakPolarHBondContact O-CB 3.4Å; F207-P210 WeakPolarHBondContact O-CD 3.4Å; F207-L229 HydrophobicContact CE1-CB 4.42Å; F207-L229 HydrophobicContact CE1-CD1 4.09Å; F207-F232 HydrophobicContact CZ-CB 4.14Å
208P95.1Very high95.5Very high76 Ų7661.4 Ų61.449%0.49429%0.291SS..SBendtrans-54.5141.8172.1-25.834.8000111.3R217P208-R217 PolarHBondContact O-NH1 2.86Å; P208-R217 VanDerWaalsContact O-NH1 3.16Å; P208-R217 PolarHBondContact O-NH2 2.83Å
209E97.3Very high95.5Very high101 Ų10166 Ų6647%0.47231%0.311SS..SBendtrans49.561.8-170.9-61.1157.382.500111.4E211 L212 K214E209-E211 VanDerWaalsContact C-N 3.27Å; E209-E211 PolarHBondContact O-N 3.17Å; E209-L212 HydrophobicContact CB-CB 4.36Å; E209-L212 HydrophobicContact CB-CD1 3.85Å; E209-L212 HydrophobicContact CB-CG 4.08Å; E209-L212 HydrophobicContact CG-CD1 4.26Å; E209-L212 PolarHBondContact O-N 2.96Å; E209-L212 VanDerWaalsContact O-N 3.11Å; E209-L212 VanDerWaalsContact OE1-CD1 3.32Å; E209-L212 WeakPolarHBondContact OE1-CD1 3.44Å; E209-K214 HydrophobicContact CB-CD 4.34Å; E209-K214 IonicContact OE1-NZ 3.37Å; E209-K214 PolarHBondContact OE1-NZ 3.43Å; E209-K214 IonicContact OE2-NZ 3.37Å; E209-K214 PolarHBondContact OE2-NZ 3.38Å
210P96.8Very high95.4Very high25 Ų2565.9 Ų65.916%0.16232%0.316CS..THydrogen-bonded Turntrans-65.2-25-163.921.4-31.7000114.5R165 L166 R202 P204 F207R165-P210 PolarHBondContact NH1-O 3.46Å; R165-P210 PolarHBondContact NH2-O 2.88Å; L166-P210 WeakPolarHBondContact CD2-O 3.48Å; R202-P210 HydrophobicContact CB-CB 4.25Å; R202-P210 VanDerWaalsContact O-CB 3.26Å; R202-P210 WeakPolarHBondContact O-CB 3.5Å; R202-P210 WeakPolarHBondContact O-CG 3.39Å; P204-P210 HydrophobicContact CB-CG 4.37Å; F207-P210 WeakPolarHBondContact O-CA 3.42Å; F207-P210 WeakPolarHBondContact O-CB 3.4Å; F207-P210 WeakPolarHBondContact O-CD 3.4Å
211E95.9Very high95Very high114 Ų11464.5 Ų64.553%0.53331%0.311SS..THydrogen-bonded Turntrans-86.9-10.7179.9-58.6-53.6144.300113.2R202 E209R202-E211 WeakPolarHBondContact CD-OE1 3.27Å; R202-E211 WeakPolarHBondContact CG-OE1 3.26Å; R202-E211 IonicContact CZ-OE2 3.93Å; R202-E211 IonicContact NE-OE1 2.94Å; R202-E211 PolarHBondContact NE-OE1 3.45Å; R202-E211 VanDerWaalsContact NE-OE1 3.14Å; R202-E211 IonicContact NE-OE2 3.11Å; R202-E211 PolarHBondContact NE-OE2 3.38Å; R202-E211 IonicContact NH2-OE2 2.79Å; E209-E211 VanDerWaalsContact C-N 3.27Å; E209-E211 PolarHBondContact O-N 3.17Å
212L97.3Very high94.5Very high89 Ų8967.6 Ų67.647%0.46633%0.327SS..SBendtrans-83.5141-179.7-60.1-172.3000111.4E162 R165 E209 K214E162-L212 VanDerWaalsContact OE1-O 3.12Å; R165-L212 PolarHBondContact NH2-O 3.49Å; E209-L212 HydrophobicContact CB-CB 4.36Å; E209-L212 HydrophobicContact CB-CD1 3.85Å; E209-L212 HydrophobicContact CB-CG 4.08Å; E209-L212 HydrophobicContact CG-CD1 4.26Å; E209-L212 PolarHBondContact O-N 2.96Å; E209-L212 VanDerWaalsContact O-N 3.11Å; E209-L212 VanDerWaalsContact OE1-CD1 3.32Å; E209-L212 WeakPolarHBondContact OE1-CD1 3.44Å; L212-K214 HydrophobicContact CB-CD 3.91Å; L212-K214 HydrophobicContact CB-CG 3.84Å; L212-K214 HydrophobicContact CD1-CD 4.23Å; L212-K214 PolarHBondContact O-N 3.45Å
213F98.1Very high94Very high14 Ų1467 Ų676%0.06133%0.326CS..  trans-78.298.5169.9-177.6-105.4000109.4Y116 H120 I123 C159 E162 L166 P215Y116-F213 HydrophobicContact CD1-CB 4.07Å; Y116-F213 HydrophobicContact CD1-CD1 4.47Å; Y116-F213 AromaticContact CD1-CD2 3.94Å; Y116-F213 HydrophobicContact CD1-CD2 3.94Å; Y116-F213 AromaticContact CD1-CG 3.91Å; Y116-F213 HydrophobicContact CD1-CG 3.91Å; Y116-F213 AromaticContact CD2-CD2 3.93Å; Y116-F213 HydrophobicContact CD2-CD2 3.93Å; Y116-F213 AromaticContact CD2-CE2 3.94Å; Y116-F213 HydrophobicContact CD2-CE2 3.94Å; Y116-F213 HydrophobicContact CE1-CB 4.31Å; Y116-F213 HydrophobicContact CE1-CD2 4.44Å; Y116-F213 HydrophobicContact CE2-CD2 4.41Å; Y116-F213 HydrophobicContact CG-CD1 4.45Å; Y116-F213 AromaticContact CG-CD2 3.68Å; Y116-F213 HydrophobicContact CG-CD2 3.68Å; Y116-F213 AromaticContact CG-CE2 3.82Å; Y116-F213 HydrophobicContact CG-CE2 3.82Å; Y116-F213 HydrophobicContact CG-CG 4.01Å; Y116-F213 HydrophobicContact CG-CZ 4.27Å; H120-F213 AromaticContact CE1-CD1 3.83Å; H120-F213 AromaticContact ND1-CD1 3.89Å; I123-F213 HydrophobicContact CD1-CD1 3.88Å; I123-F213 HydrophobicContact CD1-CE1 3.77Å; C159-F213 HydrophobicContact CB-CZ 3.9Å; E162-F213 HydrophobicContact CB-CD2 4.06Å; E162-F213 HydrophobicContact CB-CE2 3.79Å; E162-F213 HydrophobicContact CG-CD2 3.51Å; E162-F213 HydrophobicContact CG-CE2 3.79Å; E162-F213 HydrophobicContact CG-CG 4.25Å; L166-F213 HydrophobicContact CD1-CB 3.94Å; L166-F213 HydrophobicContact CD1-CD2 3.87Å; L166-F213 HydrophobicContact CD1-CG 4.42Å; F213-P215 HydrophobicContact CD1-CG 4.03Å; F213-P215 HydrophobicContact CE1-CG 3.46Å; F213-P215 VanDerWaalsContact CE1-CG 3.46Å; F213-P215 HydrophobicContact CE2-CG 4.28Å; F213-P215 HydrophobicContact CZ-CG 3.61Å
214K97.6Very high93.2Very high48 Ų4872.8 Ų72.821%0.20935%0.351CS..  trans-126.677.3-175.4-66.9-175.575.9159.20111.8E162 E209 L212 E216 R217E162-K214 PolarHBondContact OE1-N 2.86Å; E162-K214 VanDerWaalsContact OE1-N 3.13Å; E209-K214 HydrophobicContact CB-CD 4.34Å; E209-K214 IonicContact OE1-NZ 3.37Å; E209-K214 PolarHBondContact OE1-NZ 3.43Å; E209-K214 IonicContact OE2-NZ 3.37Å; E209-K214 PolarHBondContact OE2-NZ 3.38Å; L212-K214 HydrophobicContact CB-CD 3.91Å; L212-K214 HydrophobicContact CB-CG 3.84Å; L212-K214 HydrophobicContact CD1-CD 4.23Å; L212-K214 PolarHBondContact O-N 3.45Å; K214-E216 WeakPolarHBondContact CA-OE2 3.29Å; K214-E216 VanDerWaalsContact CB-OE1 3.31Å; K214-E216 WeakPolarHBondContact CB-OE1 3.49Å; K214-E216 WeakPolarHBondContact CE-OE1 3.18Å; K214-E216 PolarHBondContact O-N 3.2Å; K214-E216 VanDerWaalsContact O-N 3.14Å; K214-R217 VanDerWaalsContact O-CG 3.3Å; K214-R217 WeakPolarHBondContact O-CG 3.48Å; K214-R217 PolarHBondContact O-N 2.94Å; K214-R217 VanDerWaalsContact O-N 3.17Å
215P97.8Very high92.4Very high1 Ų176.4 Ų76.41%0.00636%0.358CS..G310 helixtrans-55.8-29.2-178.7-27.737.7000114.2I123 L155 W158 C159 E162 F213 R217 W218I123-P215 HydrophobicContact CD1-CG 4Å; L155-P215 HydrophobicContact CD1-CB 4.16Å; W158-P215 HydrophobicContact CB-CB 3.83Å; W158-P215 WeakPolarHBondContact CB-O 3.45Å; C159-P215 HydrophobicContact CB-CG 4.49Å; C159-P215 VanDerWaalsContact SG-CG 3.57Å; E162-P215 HydrophobicContact CB-CG 4.47Å; F213-P215 HydrophobicContact CD1-CG 4.03Å; F213-P215 HydrophobicContact CE1-CG 3.46Å; F213-P215 VanDerWaalsContact CE1-CG 3.46Å; F213-P215 HydrophobicContact CE2-CG 4.28Å; F213-P215 HydrophobicContact CZ-CG 3.61Å; P215-R217 PolarHBondContact O-N 2.99Å; P215-W218 WeakPolarHBondContact O-CB 3.48Å; P215-W218 PolarHBondContact O-N 3.21Å
216E96Very high91.5Very high85 Ų8574.1 Ų74.140%0.39735%0.35SS..G310 helixtrans-60.6-17.7179.869.9-78.8-176.100114K214 W218 K219K214-E216 WeakPolarHBondContact CA-OE2 3.29Å; K214-E216 VanDerWaalsContact CB-OE1 3.31Å; K214-E216 WeakPolarHBondContact CB-OE1 3.49Å; K214-E216 WeakPolarHBondContact CE-OE1 3.18Å; K214-E216 PolarHBondContact O-N 3.2Å; K214-E216 VanDerWaalsContact O-N 3.14Å; E216-W218 PolarHBondContact O-N 3.19Å; E216-K219 HydrophobicContact CB-CD 4.37Å; E216-K219 VanDerWaalsContact O-CB 3.28Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 WeakPolarHBondContact O-CG 3.48Å; E216-K219 PolarHBondContact O-N 3.43Å; E216-K219 VanDerWaalsContact O-N 3.13Å
217R95.4Very high90.9Very high30 Ų3072.8 Ų72.811%0.11335%0.353CS..G310 helixtrans-59.5-28.5173.876.6173.971.7-107.88.6112.4E162 P208 K214 P215 K219 K220 L229E162-R217 VanDerWaalsContact CD-NE 3.34Å; E162-R217 IonicContact OE1-CZ 2.92Å; E162-R217 IonicContact OE1-NE 2.71Å; E162-R217 PolarHBondContact OE1-NE 2.75Å; E162-R217 IonicContact OE1-NH2 3.39Å; E162-R217 PolarHBondContact OE1-NH2 3.46Å; E162-R217 WeakPolarHBondContact OE2-CD 3.49Å; E162-R217 IonicContact OE2-NE 3.22Å; E162-R217 PolarHBondContact OE2-NE 3.43Å; E162-R217 VanDerWaalsContact OE2-NE 3.08Å; P208-R217 PolarHBondContact O-NH1 2.86Å; P208-R217 VanDerWaalsContact O-NH1 3.16Å; P208-R217 PolarHBondContact O-NH2 2.83Å; K214-R217 VanDerWaalsContact O-CG 3.3Å; K214-R217 WeakPolarHBondContact O-CG 3.48Å; K214-R217 PolarHBondContact O-N 2.94Å; K214-R217 VanDerWaalsContact O-N 3.17Å; P215-R217 PolarHBondContact O-N 2.99Å; R217-K219 PolarHBondContact O-N 3.38Å; R217-K220 PolarHBondContact O-N 2.8Å; R217-L229 HydrophobicContact CB-CD1 4.42Å; R217-L229 HydrophobicContact CG-CD1 3.99Å
218W95.6Very high90.6Very high1 Ų174.4 Ų74.40%0.00436%0.36CS..G310 helixtrans-74.1-9-178.9-61.5104.9000113.6W158 L161 E162 R165 P215 E216 K220 A221 F228 L229 F232W158-W218 HydrophobicContact CB-CB 3.92Å; W158-W218 HydrophobicContact CB-CG 4.24Å; W158-W218 HydrophobicContact CD2-CB 4.18Å; W158-W218 HydrophobicContact CG-CB 3.53Å; W158-W218 HydrophobicContact CG-CG 4.35Å; W158-W218 VanDerWaalsContact O-CD1 3.29Å; L161-W218 HydrophobicContact CB-CD2 3.66Å; L161-W218 VanDerWaalsContact CB-CE2 3.43Å; L161-W218 HydrophobicContact CB-CE3 4.09Å; L161-W218 HydrophobicContact CB-CG 4.15Å; L161-W218 HydrophobicContact CB-CH2 4.11Å; L161-W218 HydrophobicContact CB-CZ2 3.69Å; L161-W218 HydrophobicContact CB-CZ3 4.29Å; L161-W218 HydrophobicContact CD1-CD2 3.95Å; L161-W218 HydrophobicContact CD1-CE3 3.8Å; L161-W218 HydrophobicContact CD1-CG 4.3Å; L161-W218 HydrophobicContact CD1-CZ3 4.31Å; L161-W218 HydrophobicContact CG-CD2 4.45Å; E162-W218 PolarHBondContact OE2-NE1 2.82Å; E162-W218 VanDerWaalsContact OE2-NE1 3.13Å; R165-W218 HydrophobicContact CB-CZ2 4.33Å; P215-W218 WeakPolarHBondContact O-CB 3.48Å; P215-W218 PolarHBondContact O-N 3.21Å; E216-W218 PolarHBondContact O-N 3.19Å; W218-K220 PolarHBondContact O-N 3.44Å; W218-A221 HydrophobicContact CE3-CB 4.24Å; W218-A221 WeakPolarHBondContact O-CB 3.24Å; W218-A221 PolarHBondContact O-N 2.96Å; W218-A221 VanDerWaalsContact O-N 3.11Å; W218-F228 HydrophobicContact CZ3-CB 4.42Å; W218-F228 HydrophobicContact CZ3-CD1 4.43Å; W218-L229 HydrophobicContact CD2-CD1 4.27Å; W218-L229 HydrophobicContact CE3-CD1 3.94Å; W218-L229 HydrophobicContact CE3-CG 3.91Å; W218-L229 HydrophobicContact CH2-CD1 4.32Å; W218-L229 HydrophobicContact CZ3-CB 4.22Å; W218-L229 HydrophobicContact CZ3-CD1 3.98Å; W218-L229 HydrophobicContact CZ3-CG 3.83Å; W218-F232 HydrophobicContact CH2-CB 4.22Å; W218-F232 AromaticContact CH2-CD1 3.72Å; W218-F232 HydrophobicContact CH2-CD1 3.72Å; W218-F232 AromaticContact CH2-CD2 3.5Å; W218-F232 HydrophobicContact CH2-CD2 3.5Å; W218-F232 VanDerWaalsContact CH2-CD2 3.5Å; W218-F232 AromaticContact CH2-CE1 3.72Å; W218-F232 HydrophobicContact CH2-CE1 3.72Å; W218-F232 AromaticContact CH2-CE2 3.52Å; W218-F232 HydrophobicContact CH2-CE2 3.52Å; W218-F232 AromaticContact CH2-CG 3.55Å; W218-F232 HydrophobicContact CH2-CG 3.55Å; W218-F232 AromaticContact CH2-CZ 3.59Å; W218-F232 HydrophobicContact CH2-CZ 3.59Å; W218-F232 HydrophobicContact CZ2-CD2 4.18Å; W218-F232 AromaticContact CZ2-CE2 3.9Å; W218-F232 HydrophobicContact CZ2-CE2 3.9Å; W218-F232 HydrophobicContact CZ2-CZ 4.1Å; W218-F232 HydrophobicContact CZ3-CD1 4.04Å; W218-F232 HydrophobicContact CZ3-CE1 4.15Å; W218-F232 HydrophobicContact CZ3-CG 4.16Å; W218-F232 HydrophobicContact CZ3-CZ 4.42Å
219K92.4Very high90.2Very high141 Ų14172.4 Ų72.461%0.61335%0.345SS*.G310 helixtrans-58.3-28.8168.1-72.1176.7-179.8-176.60113W158 E216 R217 A221W158-K219 HydrophobicContact CE3-CG 4.24Å; W158-K219 HydrophobicContact CH2-CB 4.43Å; W158-K219 HydrophobicContact CH2-CD 4.05Å; W158-K219 HydrophobicContact CH2-CG 3.24Å; W158-K219 HydrophobicContact CZ2-CB 4.47Å; W158-K219 HydrophobicContact CZ2-CG 3.67Å; W158-K219 HydrophobicContact CZ3-CD 4.11Å; W158-K219 HydrophobicContact CZ3-CG 3.55Å; E216-K219 HydrophobicContact CB-CD 4.37Å; E216-K219 VanDerWaalsContact O-CB 3.28Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 WeakPolarHBondContact O-CG 3.48Å; E216-K219 PolarHBondContact O-N 3.43Å; E216-K219 VanDerWaalsContact O-N 3.13Å; R217-K219 PolarHBondContact O-N 3.38Å; K219-A221 VanDerWaalsContact C-N 3.32Å
220K88.4Confident89.7Confident188 Ų18874.1 Ų74.182%0.81736%0.358SS*.G310 helixtrans-81.3-12.6179.9-62.8-179.6179.8-179.10113R217 W218 L229R217-K220 PolarHBondContact O-N 2.8Å; W218-K220 PolarHBondContact O-N 3.44Å; K220-L229 HydrophobicContact CB-CD2 3.98Å
221A86.4Confident89.3Confident17 Ų1775.1 Ų75.114%0.1437%0.365CS..SBendtrans-83143.9179.300000110.6W218 K219 L223 L229W218-A221 HydrophobicContact CE3-CB 4.24Å; W218-A221 WeakPolarHBondContact O-CB 3.24Å; W218-A221 PolarHBondContact O-N 2.96Å; W218-A221 VanDerWaalsContact O-N 3.11Å; K219-A221 VanDerWaalsContact C-N 3.32Å; A221-L223 HydrophobicContact CB-CD2 3.85Å; A221-L223 HydrophobicContact CB-CG 4.01Å; A221-L223 PolarHBondContact O-N 3.24Å; A221-L229 HydrophobicContact CB-CD2 3.92Å; A221-L229 HydrophobicContact CB-CG 4.17Å
222N84.3Confident89.2Confident66 Ų6670.8 Ų70.835%0.35334%0.344SS..  trans-91.375.2172-167.7-30.9000109.8E224 K225 H226 S227N222-E224 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 2.97Å; N222-K225 CarbonylContact O-C 3.39Å; N222-K225 PolarHBondContact O-N 2.93Å; N222-K225 WeakPolarHBondContact OD1-CB 3.34Å; N222-K225 WeakPolarHBondContact OD1-CG 3.43Å; N222-K225 PolarHBondContact OD1-N 3.2Å; N222-H226 PolarHBondContact O-N 3.42Å; N222-S227 CarbonylContact C-O 3.58Å; N222-S227 VanDerWaalsContact C-O 3.28Å; N222-S227 PolarHBondContact N-O 3.35Å; N222-S227 WeakPolarHBondContact O-CA 3.45Å; N222-S227 WeakPolarHBondContact O-CB 3.43Å; N222-S227 PolarHBondContact O-N 2.94Å; N222-S227 VanDerWaalsContact O-O 3.14Å
223L83.3Confident88.8Confident16 Ų1668.8 Ų68.88%0.08433%0.333CS..THydrogen-bonded Turntrans-69.6-23.5-175.4-61.2179.7000113.3K157 L161 A221 H226 F228K157-L223 HydrophobicContact CD-CD1 4.26Å; L161-L223 HydrophobicContact CD1-CD1 3.84Å; L161-L223 HydrophobicContact CD1-CD2 3.84Å; A221-L223 HydrophobicContact CB-CD2 3.85Å; A221-L223 HydrophobicContact CB-CG 4.01Å; A221-L223 PolarHBondContact O-N 3.24Å; L223-H226 PolarHBondContact O-N 3.47Å; L223-F228 HydrophobicContact CD2-CD1 3.78Å; L223-F228 HydrophobicContact CD2-CE1 4.04Å
224E78Confident88.3Confident180 Ų18069.1 Ų69.184%0.84134%0.338SS*.THydrogen-bonded Turntrans-64-42.3172.3-67.9174-168.700110.9N222 H226N222-E224 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 2.97Å; E224-H226 PolarHBondContact O-N 3.16Å
225K79.2Confident87.9Confident163 Ų16368.2 Ų68.271%0.70934%0.335SS*.THydrogen-bonded Turntrans-86.319.5174.2-62.9-173.3-177.7-1800113.1N222 S227N222-K225 CarbonylContact O-C 3.39Å; N222-K225 PolarHBondContact O-N 2.93Å; N222-K225 WeakPolarHBondContact OD1-CB 3.34Å; N222-K225 WeakPolarHBondContact OD1-CG 3.43Å; N222-K225 PolarHBondContact OD1-N 3.2Å; K225-S227 PolarHBondContact O-N 2.89Å; K225-S227 VanDerWaalsContact O-N 3.1Å
226H77.5Confident87.5Confident111 Ų11169.2 Ų69.251%0.51435%0.345SS..THydrogen-bonded Turntrans56.228179.6-64.5-54.2000114.3N222 L223 E224 W246N222-H226 PolarHBondContact O-N 3.42Å; L223-H226 PolarHBondContact O-N 3.47Å; E224-H226 PolarHBondContact O-N 3.16Å; H226-W246 HydrophobicContact CB-CH2 3.51Å; H226-W246 HydrophobicContact CB-CZ2 3.41Å; H226-W246 VanDerWaalsContact CB-CZ2 3.41Å; H226-W246 AromaticContact CG-CH2 3.63Å; H226-W246 AromaticContact CG-CZ2 3.49Å; H226-W246 VanDerWaalsContact CG-CZ2 3.49Å; H226-W246 AromaticContact ND1-CD2 3.85Å; H226-W246 AromaticContact ND1-CE2 3.59Å; H226-W246 AromaticContact ND1-CE3 3.69Å; H226-W246 AromaticContact ND1-CH2 3.15Å; H226-W246 WeakPolarHBondContact ND1-CH2 3.45Å; H226-W246 AromaticContact ND1-CZ2 3.29Å; H226-W246 VanDerWaalsContact ND1-CZ2 3.29Å; H226-W246 WeakPolarHBondContact ND1-CZ2 3.37Å; H226-W246 AromaticContact ND1-CZ3 3.33Å; H226-W246 VanDerWaalsContact ND1-CZ3 3.33Å; H226-W246 WeakPolarHBondContact ND1-CZ3 3.31Å
227S81.4Confident87Confident61 Ų6169.2 Ų69.243%0.42735%0.354SS..  trans-104.4121.8-178.9-168.80000110.6N222 K225N222-S227 CarbonylContact C-O 3.58Å; N222-S227 VanDerWaalsContact C-O 3.28Å; N222-S227 PolarHBondContact N-O 3.35Å; N222-S227 WeakPolarHBondContact O-CA 3.45Å; N222-S227 WeakPolarHBondContact O-CB 3.43Å; N222-S227 PolarHBondContact O-N 2.94Å; N222-S227 VanDerWaalsContact O-O 3.14Å; K225-S227 PolarHBondContact O-N 2.89Å; K225-S227 VanDerWaalsContact O-N 3.1Å
228F88.3Confident86.6Confident35 Ų3570.5 Ų70.515%0.15438%0.377CS..  trans-88.8175.7174.6-59-62.4000111.2L161 W218 L223 F232 F235 W246 L249L161-F228 HydrophobicContact CD1-CD1 4.5Å; L161-F228 HydrophobicContact CD1-CE1 4.4Å; L161-F228 HydrophobicContact CD2-CD1 4.12Å; L161-F228 HydrophobicContact CD2-CE1 3.67Å; W218-F228 HydrophobicContact CZ3-CB 4.42Å; W218-F228 HydrophobicContact CZ3-CD1 4.43Å; L223-F228 HydrophobicContact CD2-CD1 3.78Å; L223-F228 HydrophobicContact CD2-CE1 4.04Å; F228-F232 HydrophobicContact CB-CB 4.23Å; F228-F232 HydrophobicContact CB-CD1 3.56Å; F228-F232 HydrophobicContact CB-CE1 4.36Å; F228-F232 HydrophobicContact CB-CG 4.36Å; F228-F232 HydrophobicContact CD1-CD1 4.07Å; F228-F232 HydrophobicContact CD1-CE1 4.02Å; F228-F232 HydrophobicContact CD2-CD1 4.06Å; F228-F232 HydrophobicContact CD2-CE1 4.38Å; F228-F232 HydrophobicContact CE1-CE1 4.42Å; F228-F232 AromaticContact CG-CD1 3.64Å; F228-F232 HydrophobicContact CG-CD1 3.64Å; F228-F232 HydrophobicContact CG-CE1 4Å; F228-F235 HydrophobicContact CE2-CD2 4.12Å; F228-F235 HydrophobicContact CE2-CE2 4.41Å; F228-F235 HydrophobicContact CZ-CD2 4.25Å; F228-F235 HydrophobicContact CZ-CE2 4.09Å; F228-W246 HydrophobicContact CE1-CH2 4.35Å; F228-W246 HydrophobicContact CE1-CZ3 4.42Å; F228-W246 HydrophobicContact CE2-CH2 4.08Å; F228-W246 AromaticContact CZ-CH2 3.61Å; F228-W246 HydrophobicContact CZ-CH2 3.61Å; F228-W246 HydrophobicContact CZ-CZ2 4.5Å; F228-W246 AromaticContact CZ-CZ3 3.88Å; F228-W246 HydrophobicContact CZ-CZ3 3.88Å; F228-L249 HydrophobicContact CE1-CD1 4.4Å; F228-L249 HydrophobicContact CZ-CD1 4.18Å
229L87.9Confident86.3Confident34 Ų3479.2 Ų79.218%0.17842%0.415CS..  trans-63.3149.7171.8-61.6176.9000111F207 R217 W218 K220 A221 C231 F232F207-L229 HydrophobicContact CE1-CB 4.42Å; F207-L229 HydrophobicContact CE1-CD1 4.09Å; R217-L229 HydrophobicContact CB-CD1 4.42Å; R217-L229 HydrophobicContact CG-CD1 3.99Å; W218-L229 HydrophobicContact CD2-CD1 4.27Å; W218-L229 HydrophobicContact CE3-CD1 3.94Å; W218-L229 HydrophobicContact CE3-CG 3.91Å; W218-L229 HydrophobicContact CH2-CD1 4.32Å; W218-L229 HydrophobicContact CZ3-CB 4.22Å; W218-L229 HydrophobicContact CZ3-CD1 3.98Å; W218-L229 HydrophobicContact CZ3-CG 3.83Å; K220-L229 HydrophobicContact CB-CD2 3.98Å; A221-L229 HydrophobicContact CB-CD2 3.92Å; A221-L229 HydrophobicContact CB-CG 4.17Å; L229-C231 PolarHBondContact O-N 2.91Å; L229-F232 WeakPolarHBondContact O-CB 3.23Å; L229-F232 PolarHBondContact O-N 2.75Å; L229-F232 VanDerWaalsContact O-N 3.08Å
230D85.8Confident86.1Confident137 Ų13778 Ų7873%0.73341%0.41SS*.THydrogen-bonded Turntrans-53.6141.5173.5-69.7-25.7000111F232D230-F232 PolarHBondContact O-N 2.92Å; D230-F232 VanDerWaalsContact O-N 3.1Å
231C89.3Confident86.2Confident46 Ų4672.5 Ų72.531%0.31139%0.387SS..THydrogen-bonded Turntrans6015.5-177.9-63.20000114.9L200 Y206 L229L200-C231 HydrophobicContact CD1-CB 3.77Å; L200-C231 HydrophobicContact CD2-CB 4.19Å; L200-C231 WeakPolarHBondContact CD2-O 3.3Å; L200-C231 HydrophobicContact CG-CB 3.96Å; L200-C231 VanDerWaalsContact CG-O 3.26Å; L200-C231 WeakPolarHBondContact CG-O 3.36Å; Y206-C231 HydrophobicContact CD1-CB 4.1Å; Y206-C231 HydrophobicContact CD2-CB 3.79Å; Y206-C231 VanDerWaalsContact CE1-SG 3.58Å; Y206-C231 HydrophobicContact CE2-CB 4.26Å; Y206-C231 HydrophobicContact CG-CB 3.71Å; Y206-C231 VanDerWaalsContact CZ-SG 3.54Å; L229-C231 PolarHBondContact O-N 2.91Å
232F92.7Very high86.4Confident23 Ų2373.8 Ų73.810%0.10139%0.394CS..  trans-82.8115163.8-175.8-120000111.1L161 I164 R165 H201 F207 W218 F228 L229 D230 A234L161-F232 HydrophobicContact CD2-CE1 3.98Å; L161-F232 HydrophobicContact CD2-CZ 4.13Å; I164-F232 HydrophobicContact CB-CZ 4.43Å; I164-F232 HydrophobicContact CG2-CZ 4.3Å; R165-F232 HydrophobicContact CB-CD2 4.46Å; R165-F232 HydrophobicContact CB-CE2 3.96Å; H201-F232 AromaticContact CE1-CD2 3.73Å; H201-F232 AromaticContact CE1-CE2 3.86Å; H201-F232 AromaticContact NE2-CD2 3.48Å; H201-F232 WeakPolarHBondContact NE2-CD2 3.44Å; F207-F232 HydrophobicContact CZ-CB 4.14Å; W218-F232 HydrophobicContact CH2-CB 4.22Å; W218-F232 AromaticContact CH2-CD1 3.72Å; W218-F232 HydrophobicContact CH2-CD1 3.72Å; W218-F232 AromaticContact CH2-CD2 3.5Å; W218-F232 HydrophobicContact CH2-CD2 3.5Å; W218-F232 VanDerWaalsContact CH2-CD2 3.5Å; W218-F232 AromaticContact CH2-CE1 3.72Å; W218-F232 HydrophobicContact CH2-CE1 3.72Å; W218-F232 AromaticContact CH2-CE2 3.52Å; W218-F232 HydrophobicContact CH2-CE2 3.52Å; W218-F232 AromaticContact CH2-CG 3.55Å; W218-F232 HydrophobicContact CH2-CG 3.55Å; W218-F232 AromaticContact CH2-CZ 3.59Å; W218-F232 HydrophobicContact CH2-CZ 3.59Å; W218-F232 HydrophobicContact CZ2-CD2 4.18Å; W218-F232 AromaticContact CZ2-CE2 3.9Å; W218-F232 HydrophobicContact CZ2-CE2 3.9Å; W218-F232 HydrophobicContact CZ2-CZ 4.1Å; W218-F232 HydrophobicContact CZ3-CD1 4.04Å; W218-F232 HydrophobicContact CZ3-CE1 4.15Å; W218-F232 HydrophobicContact CZ3-CG 4.16Å; W218-F232 HydrophobicContact CZ3-CZ 4.42Å; F228-F232 HydrophobicContact CB-CB 4.23Å; F228-F232 HydrophobicContact CB-CD1 3.56Å; F228-F232 HydrophobicContact CB-CE1 4.36Å; F228-F232 HydrophobicContact CB-CG 4.36Å; F228-F232 HydrophobicContact CD1-CD1 4.07Å; F228-F232 HydrophobicContact CD1-CE1 4.02Å; F228-F232 HydrophobicContact CD2-CD1 4.06Å; F228-F232 HydrophobicContact CD2-CE1 4.38Å; F228-F232 HydrophobicContact CE1-CE1 4.42Å; F228-F232 AromaticContact CG-CD1 3.64Å; F228-F232 HydrophobicContact CG-CD1 3.64Å; F228-F232 HydrophobicContact CG-CE1 4Å; L229-F232 WeakPolarHBondContact O-CB 3.23Å; L229-F232 PolarHBondContact O-N 2.75Å; L229-F232 VanDerWaalsContact O-N 3.08Å; D230-F232 PolarHBondContact O-N 2.92Å; D230-F232 VanDerWaalsContact O-N 3.1Å; F232-A234 HydrophobicContact CD1-CB 4.2Å; F232-A234 HydrophobicContact CE1-CB 3.5Å; F232-A234 VanDerWaalsContact CE1-CB 3.5Å; F232-A234 HydrophobicContact CE2-CB 3.87Å; F232-A234 HydrophobicContact CZ-CB 3.33Å
233M90.1Very high86.7Confident47 Ų4776.4 Ų76.423%0.23242%0.415CS..  trans-124.164.3-178.4-169.6176.7-72.500111.2I172 P197 L200 H201I172-M233 HydrophobicContact CD1-SD 4.13Å; P197-M233 WeakPolarHBondContact CB-O 3.47Å; P197-M233 HydrophobicContact CG-CG 4.42Å; P197-M233 HydrophobicContact CG-SD 4.49Å; L200-M233 HydrophobicContact CD2-CB 4.08Å; H201-M233 PolarHBondContact NE2-N 3.07Å
234A86.8Confident87Confident21 Ų2177 Ų7717%0.17442%0.423CS..SBendtrans-77.3-38.2175.700000114I164 F232I164-A234 HydrophobicContact CG2-CB 3.38Å; F232-A234 HydrophobicContact CD1-CB 4.2Å; F232-A234 HydrophobicContact CE1-CB 3.5Å; F232-A234 VanDerWaalsContact CE1-CB 3.5Å; F232-A234 HydrophobicContact CE2-CB 3.87Å; F232-A234 HydrophobicContact CZ-CB 3.33Å
235F89.8Confident87.7Confident29 Ų2970.9 Ų70.913%0.12739%0.392CS..SBendtrans-116.521-165.2-61.1-68.5000112.4I164 F228 Q241 C242 R245 L249I164-F235 HydrophobicContact CD1-CZ 3.83Å; F228-F235 HydrophobicContact CE2-CD2 4.12Å; F228-F235 HydrophobicContact CE2-CE2 4.41Å; F228-F235 HydrophobicContact CZ-CD2 4.25Å; F228-F235 HydrophobicContact CZ-CE2 4.09Å; F235-Q241 CarbonylContact O-C 3.57Å; F235-Q241 WeakPolarHBondContact O-CA 3.39Å; F235-Q241 WeakPolarHBondContact O-CG 3.49Å; F235-C242 HydrophobicContact CB-CB 3.99Å; F235-C242 HydrophobicContact CD1-CB 4.24Å; F235-C242 PolarHBondContact O-N 3.21Å; F235-R245 HydrophobicContact CB-CB 3.93Å; F235-R245 HydrophobicContact CD1-CB 3.46Å; F235-R245 VanDerWaalsContact CD1-CB 3.46Å; F235-R245 HydrophobicContact CD2-CB 3.93Å; F235-R245 HydrophobicContact CE1-CB 3.87Å; F235-R245 HydrophobicContact CE2-CB 4.3Å; F235-R245 HydrophobicContact CG-CB 3.49Å; F235-R245 VanDerWaalsContact CG-CB 3.49Å; F235-R245 HydrophobicContact CZ-CB 4.27Å; F235-L249 HydrophobicContact CE2-CD1 4.14Å; F235-L249 HydrophobicContact CE2-CD2 4.41Å; F235-L249 HydrophobicContact CE2-CG 4.35Å; F235-L249 HydrophobicContact CZ-CD1 4.2Å; F235-L249 HydrophobicContact CZ-CD2 3.94Å; F235-L249 HydrophobicContact CZ-CG 3.9Å
236G88.3Confident88.2Confident22 Ų2266.2 Ų66.223%0.22737%0.37CS..  trans63.1-163.3-169.200000112.6
237S86.1Confident88.9Confident85 Ų8563.9 Ų63.959%0.59436%0.358SS*.  trans-155.7168.5-179.4-170.90000111.6F240 Q241S237-F240 PolarHBondContact O-N 3.36Å; S237-Q241 PolarHBondContact O-N 2.97Å
238G87.9Confident89.4Confident57 Ų5762.2 Ų62.259%0.58835%0.348SS*.G310 helixtrans58.3-143.5178.700000113.1F240 Q241G238-F240 PolarHBondContact O-N 3.03Å; G238-Q241 WeakPolarHBondContact O-CB 3.3Å; G238-Q241 PolarHBondContact O-N 3.46Å; G238-Q241 VanDerWaalsContact O-N 3.08Å
239K88.5Confident89.7Confident184 Ų18461 Ų6180%0.834%0.343SS*.G310 helixtrans-62.9-12.6-177.973.1-177.4-173.2178.30115.3
240F88.3Confident89.9Confident116 Ų11662.3 Ų62.351%0.50935%0.35SS..G310 helixtrans-113.315.8-179.9-57.7-66.7000112.3R174 S237 G238R174-F240 VanDerWaalsContact NH2-CG 3.35Å; S237-F240 PolarHBondContact O-N 3.36Å; G238-F240 PolarHBondContact O-N 3.03Å
241Q89.8Confident90.3Very high73 Ų7359.2 Ų59.234%0.34133%0.331SS..SBendtrans-63.5138.7174.7-169175.746.300109.9F235 S237 G238 P243F235-Q241 CarbonylContact O-C 3.57Å; F235-Q241 WeakPolarHBondContact O-CA 3.39Å; F235-Q241 WeakPolarHBondContact O-CG 3.49Å; S237-Q241 PolarHBondContact O-N 2.97Å; G238-Q241 WeakPolarHBondContact O-CB 3.3Å; G238-Q241 PolarHBondContact O-N 3.46Å; G238-Q241 VanDerWaalsContact O-N 3.08Å; Q241-P243 WeakPolarHBondContact O-CD 3.31Å; Q241-P243 VanDerWaalsContact O-N 3.17Å
242C91.6Very high90.7Very high43 Ų4357.3 Ų57.329%0.29132%0.318SS..  trans-56.5119.7179.9177.80000110.3F235 A244 R245F235-C242 HydrophobicContact CB-CB 3.99Å; F235-C242 HydrophobicContact CD1-CB 4.24Å; F235-C242 PolarHBondContact O-N 3.21Å; C242-A244 VanDerWaalsContact C-N 3.29Å; C242-A244 PolarHBondContact O-N 3.34Å; C242-R245 HydrophobicContact CB-CB 4.4Å; C242-R245 PolarHBondContact O-NH1 3.19Å
243P90.1Very high90.8Very high121 Ų12156.4 Ų56.479%0.78631%0.314SS*.THydrogen-bonded Turntrans-70-29.8-179.327.4-33.7000111.7Q241 R245Q241-P243 WeakPolarHBondContact O-CD 3.31Å; Q241-P243 VanDerWaalsContact O-N 3.17Å; P243-R245 PolarHBondContact O-N 3.31Å
244A90.7Very high91.1Very high29 Ų2957.2 Ų57.224%0.2432%0.318CS..THydrogen-bonded Turntrans-89.68.3-176.300000114.4C242 W246 F247 A248C242-A244 VanDerWaalsContact C-N 3.29Å; C242-A244 PolarHBondContact O-N 3.34Å; A244-W246 VanDerWaalsContact C-N 3.34Å; A244-W246 PolarHBondContact O-N 2.97Å; A244-F247 WeakPolarHBondContact O-CB 3.35Å; A244-F247 PolarHBondContact O-N 3.15Å; A244-F247 VanDerWaalsContact O-N 3.14Å; A244-A248 WeakPolarHBondContact O-CB 3.28Å; A244-A248 PolarHBondContact O-N 2.88Å
245R91.4Very high91.6Very high52 Ų5258.5 Ų58.520%0.19633%0.326CS..Hα-helixtrans-53.7-43.9-172.665.3-168.4176.5-78.51114.4F235 C242 P243 L249F235-R245 HydrophobicContact CB-CB 3.93Å; F235-R245 HydrophobicContact CD1-CB 3.46Å; F235-R245 VanDerWaalsContact CD1-CB 3.46Å; F235-R245 HydrophobicContact CD2-CB 3.93Å; F235-R245 HydrophobicContact CE1-CB 3.87Å; F235-R245 HydrophobicContact CE2-CB 4.3Å; F235-R245 HydrophobicContact CG-CB 3.49Å; F235-R245 VanDerWaalsContact CG-CB 3.49Å; F235-R245 HydrophobicContact CZ-CB 4.27Å; C242-R245 HydrophobicContact CB-CB 4.4Å; C242-R245 PolarHBondContact O-NH1 3.19Å; P243-R245 PolarHBondContact O-N 3.31Å; R245-L249 WeakPolarHBondContact O-CG 3.32Å; R245-L249 PolarHBondContact O-N 2.76Å; R245-L249 VanDerWaalsContact O-N 3.1Å
246W90.8Very high92Very high64 Ų6457.2 Ų57.224%0.24232%0.32CS..Hα-helixtrans-71.8-43179.7-58.7120.7000111.2H226 F228 A244 A248 L249 L250H226-W246 HydrophobicContact CB-CH2 3.51Å; H226-W246 HydrophobicContact CB-CZ2 3.41Å; H226-W246 VanDerWaalsContact CB-CZ2 3.41Å; H226-W246 AromaticContact CG-CH2 3.63Å; H226-W246 AromaticContact CG-CZ2 3.49Å; H226-W246 VanDerWaalsContact CG-CZ2 3.49Å; H226-W246 AromaticContact ND1-CD2 3.85Å; H226-W246 AromaticContact ND1-CE2 3.59Å; H226-W246 AromaticContact ND1-CE3 3.69Å; H226-W246 AromaticContact ND1-CH2 3.15Å; H226-W246 WeakPolarHBondContact ND1-CH2 3.45Å; H226-W246 AromaticContact ND1-CZ2 3.29Å; H226-W246 VanDerWaalsContact ND1-CZ2 3.29Å; H226-W246 WeakPolarHBondContact ND1-CZ2 3.37Å; H226-W246 AromaticContact ND1-CZ3 3.33Å; H226-W246 VanDerWaalsContact ND1-CZ3 3.33Å; H226-W246 WeakPolarHBondContact ND1-CZ3 3.31Å; F228-W246 HydrophobicContact CE1-CH2 4.35Å; F228-W246 HydrophobicContact CE1-CZ3 4.42Å; F228-W246 HydrophobicContact CE2-CH2 4.08Å; F228-W246 AromaticContact CZ-CH2 3.61Å; F228-W246 HydrophobicContact CZ-CH2 3.61Å; F228-W246 HydrophobicContact CZ-CZ2 4.5Å; F228-W246 AromaticContact CZ-CZ3 3.88Å; F228-W246 HydrophobicContact CZ-CZ3 3.88Å; A244-W246 VanDerWaalsContact C-N 3.34Å; A244-W246 PolarHBondContact O-N 2.97Å; W246-A248 VanDerWaalsContact C-N 3.33Å; W246-A248 PolarHBondContact O-N 3.34Å; W246-L249 HydrophobicContact CE3-CD1 4Å; W246-L249 HydrophobicContact CZ3-CD1 4.01Å; W246-L249 PolarHBondContact O-N 3.32Å; W246-L250 VanDerWaalsContact O-CG 3.28Å; W246-L250 WeakPolarHBondContact O-CG 3.18Å; W246-L250 PolarHBondContact O-N 3.17Å
247F90.6Very high92.4Very high62 Ų6256.1 Ų56.127%0.27231%0.309SS..Hα-helixtrans-57.6-46.1174.6-178.6-91.6000111.6L2 A244 L250 E251L2-F247 HydrophobicContact CB-CE1 3.93Å; L2-F247 HydrophobicContact CB-CZ 3.9Å; A244-F247 WeakPolarHBondContact O-CB 3.35Å; A244-F247 PolarHBondContact O-N 3.15Å; A244-F247 VanDerWaalsContact O-N 3.14Å; F247-L250 PolarHBondContact O-N 3.38Å; F247-E251 HydrophobicContact CE1-CB 4.29Å; F247-E251 VanDerWaalsContact O-CB 3.27Å; F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 PolarHBondContact O-N 2.98Å
248A92.8Very high92.9Very high27 Ų2755.1 Ų55.122%0.22330%0.296CS..Hα-helixtrans-63.8-42.5179.400000112.4A244 W246 E251 V252A244-A248 WeakPolarHBondContact O-CB 3.28Å; A244-A248 PolarHBondContact O-N 2.88Å; W246-A248 VanDerWaalsContact C-N 3.33Å; W246-A248 PolarHBondContact O-N 3.34Å; A248-E251 PolarHBondContact O-N 3.16Å; A248-V252 WeakPolarHBondContact O-CB 3.41Å; A248-V252 VanDerWaalsContact O-CG2 3.28Å; A248-V252 WeakPolarHBondContact O-CG2 3.03Å; A248-V252 PolarHBondContact O-N 2.77Å
249L93.9Very high93.4Very high8 Ų854.7 Ų54.74%0.04228%0.28CS..Hα-helixtrans-61.5-45.8176.1-72.8173.5000111.5V160 L161 I164 F228 F235 R245 W246 Q253V160-L249 HydrophobicContact CG1-CD2 3.75Å; L161-L249 HydrophobicContact CD2-CD1 4.31Å; L161-L249 HydrophobicContact CD2-CD2 3.82Å; L161-L249 HydrophobicContact CG-CD2 4.47Å; I164-L249 HydrophobicContact CD1-CD2 3.93Å; F228-L249 HydrophobicContact CE1-CD1 4.4Å; F228-L249 HydrophobicContact CZ-CD1 4.18Å; F235-L249 HydrophobicContact CE2-CD1 4.14Å; F235-L249 HydrophobicContact CE2-CD2 4.41Å; F235-L249 HydrophobicContact CE2-CG 4.35Å; F235-L249 HydrophobicContact CZ-CD1 4.2Å; F235-L249 HydrophobicContact CZ-CD2 3.94Å; F235-L249 HydrophobicContact CZ-CG 3.9Å; R245-L249 WeakPolarHBondContact O-CG 3.32Å; R245-L249 PolarHBondContact O-N 2.76Å; R245-L249 VanDerWaalsContact O-N 3.1Å; W246-L249 HydrophobicContact CE3-CD1 4Å; W246-L249 HydrophobicContact CZ3-CD1 4.01Å; W246-L249 PolarHBondContact O-N 3.32Å; L249-Q253 WeakPolarHBondContact O-CB 3.41Å; L249-Q253 PolarHBondContact O-N 2.83Å
250L93.3Very high93.8Very high62 Ų6246 Ų4633%0.32524%0.242SC..Hα-helixtrans-63.2-47.4177.3-66.3170.2000111.2L150 W246 F247 V252 Q253 M254L150-L250 HydrophobicContact CD1-CD2 3.46Å; L150-L250 VanDerWaalsContact CD1-CD2 3.46Å; W246-L250 VanDerWaalsContact O-CG 3.28Å; W246-L250 WeakPolarHBondContact O-CG 3.18Å; W246-L250 PolarHBondContact O-N 3.17Å; F247-L250 PolarHBondContact O-N 3.38Å; L250-V252 PolarHBondContact O-N 2.7Å; L250-Q253 PolarHBondContact O-N 3.21Å; L250-M254 WeakPolarHBondContact O-CB 3.25Å; L250-M254 VanDerWaalsContact O-CG 3.26Å; L250-M254 WeakPolarHBondContact O-CG 3.49Å; L250-M254 PolarHBondContact O-N 3.39Å
251E93.7Very high94.2Very high73 Ų7340.9 Ų40.934%0.34122%0.22SC..Hα-helixtrans-61.2-47.1-178.7-178.4173.2-124.700111.9F247 A248 C255F247-E251 HydrophobicContact CE1-CB 4.29Å; F247-E251 VanDerWaalsContact O-CB 3.27Å; F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 PolarHBondContact O-N 2.98Å; A248-E251 PolarHBondContact O-N 3.16Å; E251-C255 VanDerWaalsContact O-CB 3.28Å; E251-C255 WeakPolarHBondContact O-CB 3.4Å; E251-C255 PolarHBondContact O-N 2.95Å
252V96.6Very high94.6Very high5 Ų540.1 Ų40.13%0.0322%0.215CC..Hα-helixtrans-65.1-46.2176.9175.30000110.4A106 V109 A110 V160 A248 L250 M254 C255 I256A106-V252 HydrophobicContact CB-CG2 4.23Å; V109-V252 HydrophobicContact CB-CG2 4.49Å; V109-V252 HydrophobicContact CG1-CG1 4.07Å; V109-V252 HydrophobicContact CG1-CG2 4.25Å; A110-V252 HydrophobicContact CB-CG1 4.15Å; V160-V252 HydrophobicContact CB-CG1 4.48Å; V160-V252 HydrophobicContact CG1-CB 4.32Å; V160-V252 HydrophobicContact CG1-CG1 3.98Å; V160-V252 HydrophobicContact CG2-CB 4.41Å; V160-V252 HydrophobicContact CG2-CG1 3.63Å; A248-V252 WeakPolarHBondContact O-CB 3.41Å; A248-V252 VanDerWaalsContact O-CG2 3.28Å; A248-V252 WeakPolarHBondContact O-CG2 3.03Å; A248-V252 PolarHBondContact O-N 2.77Å; L250-V252 PolarHBondContact O-N 2.7Å; V252-M254 PolarHBondContact O-N 2.98Å; V252-C255 WeakPolarHBondContact O-CB 3.39Å; V252-C255 PolarHBondContact O-N 3.32Å; V252-C255 VanDerWaalsContact O-N 3.16Å; V252-I256 HydrophobicContact CG1-CG1 4.38Å; V252-I256 WeakPolarHBondContact O-CG1 3.47Å; V252-I256 PolarHBondContact O-N 2.81Å
253Q96.4Very high94.8Very high4 Ų441.7 Ų41.72%0.01922%0.216CC..Hα-helixtrans-58.4-47.6179.4-171.7-178.6-4.200111.3L150 L153 I156 L249 L250 C255 I256 I257L150-Q253 HydrophobicContact CD2-CB 4.38Å; L150-Q253 HydrophobicContact CD2-CG 3.82Å; L150-Q253 PolarHBondContact O-NE2 3.48Å; L153-Q253 PolarHBondContact O-NE2 3.09Å; I156-Q253 HydrophobicContact CB-CG 4.18Å; I156-Q253 HydrophobicContact CG2-CG 3.82Å; L249-Q253 WeakPolarHBondContact O-CB 3.41Å; L249-Q253 PolarHBondContact O-N 2.83Å; L250-Q253 PolarHBondContact O-N 3.21Å; Q253-C255 VanDerWaalsContact C-N 3.35Å; Q253-C255 PolarHBondContact O-N 3.17Å; Q253-I256 PolarHBondContact O-N 2.83Å; Q253-I257 HydrophobicContact CG-CD1 4.01Å; Q253-I257 WeakPolarHBondContact O-CD1 3.39Å; Q253-I257 VanDerWaalsContact O-CG1 3.28Å; Q253-I257 WeakPolarHBondContact O-CG1 3.36Å; Q253-I257 PolarHBondContact O-N 3.44Å
254M96.1Very high95.1Very high65 Ų6539.7 Ų39.732%0.3220%0.199SC..Hα-helixtrans-60.9-42.3175.4-73.3177.366.400112V145 L150 L250 V252 I256 I257 L258V145-M254 HydrophobicContact CB-CE 4.22Å; V145-M254 HydrophobicContact CB-CG 4.4Å; V145-M254 HydrophobicContact CG1-CG 4.05Å; L150-M254 HydrophobicContact CD1-CG 4.06Å; L150-M254 HydrophobicContact CD1-SD 4.49Å; L150-M254 HydrophobicContact CD2-CG 3.98Å; L250-M254 WeakPolarHBondContact O-CB 3.25Å; L250-M254 VanDerWaalsContact O-CG 3.26Å; L250-M254 WeakPolarHBondContact O-CG 3.49Å; L250-M254 PolarHBondContact O-N 3.39Å; V252-M254 PolarHBondContact O-N 2.98Å; M254-I256 PolarHBondContact O-N 3.26Å; M254-I257 PolarHBondContact O-N 3.3Å; M254-L258 WeakPolarHBondContact O-CB 3.5Å; M254-L258 WeakPolarHBondContact O-CG 3.23Å; M254-L258 PolarHBondContact O-N 3.44Å
255C96.6Very high95.4Very high48 Ų4838.8 Ų38.832%0.32419%0.19SC..Hα-helixtrans-57.7-48.7177.7-1750000111.2E251 V252 Q253 L258 I259E251-C255 VanDerWaalsContact O-CB 3.28Å; E251-C255 WeakPolarHBondContact O-CB 3.4Å; E251-C255 PolarHBondContact O-N 2.95Å; V252-C255 WeakPolarHBondContact O-CB 3.39Å; V252-C255 PolarHBondContact O-N 3.32Å; V252-C255 VanDerWaalsContact O-N 3.16Å; Q253-C255 VanDerWaalsContact C-N 3.35Å; Q253-C255 PolarHBondContact O-N 3.17Å; C255-L258 PolarHBondContact O-N 3.14Å; C255-I259 VanDerWaalsContact O-CG1 3.29Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 3.06Å
256I98.1Very high95.7Very high1 Ų138.5 Ų38.51%0.00520%0.196CC..Hα-helixtrans-62.7-45.8178.3-60.2-58.2000111.3A110 T113 L114 I156 V252 Q253 M254 L258 I259 L260A110-I256 WeakPolarHBondContact O-CD1 3.35Å; T113-I256 HydrophobicContact CG2-CD1 4.25Å; T113-I256 HydrophobicContact CG2-CG1 4.02Å; L114-I256 HydrophobicContact CB-CD1 3.87Å; I156-I256 HydrophobicContact CG2-CB 4.09Å; I156-I256 HydrophobicContact CG2-CG2 3.96Å; V252-I256 HydrophobicContact CG1-CG1 4.38Å; V252-I256 WeakPolarHBondContact O-CG1 3.47Å; V252-I256 PolarHBondContact O-N 2.81Å; Q253-I256 PolarHBondContact O-N 2.83Å; M254-I256 PolarHBondContact O-N 3.26Å; I256-L258 PolarHBondContact O-N 2.73Å; I256-I259 PolarHBondContact O-N 3.06Å; I256-L260 HydrophobicContact CG2-CD1 3.76Å; I256-L260 HydrophobicContact CG2-CG 4.33Å; I256-L260 WeakPolarHBondContact O-CB 3.45Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 3.19Å
257I97.6Very high95.9Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-56.6-50.5176.6-70.6163.1000110.6F135 I143 V145 L150 L153 I156 Q253 M254 I259 L260 Y261F135-I257 HydrophobicContact CD2-CG2 4.41Å; F135-I257 HydrophobicContact CE2-CG2 3.7Å; F135-I257 HydrophobicContact CZ-CG2 4.37Å; I143-I257 HydrophobicContact CD1-CG2 4.25Å; V145-I257 HydrophobicContact CG2-CG2 4.24Å; L150-I257 HydrophobicContact CD2-CD1 3.44Å; L150-I257 VanDerWaalsContact CD2-CD1 3.44Å; L153-I257 HydrophobicContact CD1-CD1 3.62Å; L153-I257 HydrophobicContact CD1-CG1 4.08Å; I156-I257 HydrophobicContact CD1-CD1 4.05Å; I156-I257 HydrophobicContact CD1-CG1 3.32Å; Q253-I257 HydrophobicContact CG-CD1 4.01Å; Q253-I257 WeakPolarHBondContact O-CD1 3.39Å; Q253-I257 VanDerWaalsContact O-CG1 3.28Å; Q253-I257 WeakPolarHBondContact O-CG1 3.36Å; Q253-I257 PolarHBondContact O-N 3.44Å; M254-I257 PolarHBondContact O-N 3.3Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.99Å; I257-L260 PolarHBondContact O-N 3.29Å; I257-Y261 WeakPolarHBondContact O-CB 3.37Å; I257-Y261 PolarHBondContact O-N 2.89Å
258L96.8Very high96.2Very high63 Ų6338.9 Ų38.933%0.3321%0.205SC..Hα-helixtrans-65.6-36.3-176.2-70.5170.6000112.3I143 V145 M254 C255 I256 K262I143-L258 HydrophobicContact CD1-CD2 4.03Å; I143-L258 HydrophobicContact CG1-CD2 3.75Å; V145-L258 HydrophobicContact CG2-CD2 4.3Å; M254-L258 WeakPolarHBondContact O-CB 3.5Å; M254-L258 WeakPolarHBondContact O-CG 3.23Å; M254-L258 PolarHBondContact O-N 3.44Å; C255-L258 PolarHBondContact O-N 3.14Å; I256-L258 PolarHBondContact O-N 2.73Å; L258-K262 WeakPolarHBondContact O-CB 3.15Å; L258-K262 WeakPolarHBondContact O-CG 3.49Å; L258-K262 PolarHBondContact O-N 3.45Å
259I97.3Very high96.3Very high49 Ų4939.1 Ų39.125%0.25120%0.203SC..Hα-helixtrans-64.4-55.7174.4-70.5167.3000109.7L114 C255 I256 I257 Y261 K262 Y263L114-I259 HydrophobicContact CD1-CG2 4.35Å; L114-I259 HydrophobicContact CD2-CD1 4.44Å; L114-I259 HydrophobicContact CD2-CG2 4.21Å; C255-I259 VanDerWaalsContact O-CG1 3.29Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 3.06Å; I256-I259 PolarHBondContact O-N 3.06Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.99Å; I259-Y261 VanDerWaalsContact C-N 3.33Å; I259-Y261 PolarHBondContact O-N 3.34Å; I259-K262 PolarHBondContact O-N 3.47Å; I259-Y263 WeakPolarHBondContact O-CB 3.25Å; I259-Y263 PolarHBondContact O-N 2.99Å
260L97.5Very high96.3Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-68-31.9-175-66.6178.7000113.1L114 V117 L118 I127 M128 I131 I256 I257 Y263 R296L114-L260 HydrophobicContact CD1-CD2 3.91Å; L114-L260 HydrophobicContact CD1-CG 4.4Å; V117-L260 HydrophobicContact CG1-CD1 4.36Å; L118-L260 HydrophobicContact CD2-CD2 4.42Å; I127-L260 HydrophobicContact CG2-CD1 3.62Å; M128-L260 HydrophobicContact SD-CB 3.85Å; I131-L260 HydrophobicContact CD1-CB 3.8Å; I131-L260 HydrophobicContact CD1-CD1 4.36Å; I256-L260 HydrophobicContact CG2-CD1 3.76Å; I256-L260 HydrophobicContact CG2-CG 4.33Å; I256-L260 WeakPolarHBondContact O-CB 3.45Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 3.19Å; I257-L260 PolarHBondContact O-N 3.29Å; L260-Y263 VanDerWaalsContact O-O 3.07Å; L260-R296 PolarHBondContact O-NE 3.13Å
261Y97.2Very high96.3Very high10 Ų1044.1 Ų44.14%0.03924%0.235CC..Hα-helixtrans-65-41.1173.8-177.8-86000111.7I131 F135 A138 G139 I143 I257 I259 R296I131-Y261 HydrophobicContact CG2-CD2 3.75Å; I131-Y261 HydrophobicContact CG2-CG 4.5Å; F135-Y261 HydrophobicContact CB-CD2 4.04Å; F135-Y261 HydrophobicContact CB-CE2 3.6Å; F135-Y261 HydrophobicContact CG-CE2 4.48Å; A138-Y261 CarbonylContact C-O 3.54Å; A138-Y261 HydrophobicContact CB-CD2 4.17Å; A138-Y261 HydrophobicContact CB-CE2 4.48Å; A138-Y261 WeakPolarHBondContact CB-O 3.4Å; G139-Y261 PolarHBondContact N-O 3.18Å; G139-Y261 WeakPolarHBondContact O-CD1 3.48Å; G139-Y261 VanDerWaalsContact O-CE1 3.28Å; G139-Y261 WeakPolarHBondContact O-CE1 3.28Å; I143-Y261 HydrophobicContact CD1-CD1 4.11Å; I143-Y261 HydrophobicContact CD1-CD2 3.89Å; I143-Y261 HydrophobicContact CD1-CE2 4.33Å; I143-Y261 HydrophobicContact CD1-CG 3.77Å; I143-Y261 HydrophobicContact CG1-CD1 4.3Å; I143-Y261 HydrophobicContact CG1-CE1 4.48Å; I143-Y261 HydrophobicContact CG1-CG 4.46Å; I143-Y261 HydrophobicContact CG2-CD1 4.15Å; I143-Y261 HydrophobicContact CG2-CD2 4.31Å; I143-Y261 HydrophobicContact CG2-CE1 3.52Å; I143-Y261 HydrophobicContact CG2-CE2 3.7Å; I143-Y261 WeakPolarHBondContact CG2-OH 3.44Å; I257-Y261 WeakPolarHBondContact O-CB 3.37Å; I257-Y261 PolarHBondContact O-N 2.89Å; I259-Y261 VanDerWaalsContact C-N 3.33Å; I259-Y261 PolarHBondContact O-N 3.34Å; Y261-R296 WeakPolarHBondContact O-CD 3.45Å
262K96.8Very high96.3Very high56 Ų5641.5 Ų41.524%0.24323%0.225CC..Hα-helixtrans-91.7-25.3-174.5-71.1-167.2174.1-162.10114.5L258 I259 R296L258-K262 WeakPolarHBondContact O-CB 3.15Å; L258-K262 WeakPolarHBondContact O-CG 3.49Å; L258-K262 PolarHBondContact O-N 3.45Å; I259-K262 PolarHBondContact O-N 3.47Å; K262-R296 PolarHBondContact O-N 2.73Å
263Y97.4Very high96.1Very high76 Ų7648.2 Ų48.230%0.29825%0.254SS..EExtended strand (participates in β ladder)trans-129139.9-171.1-59.8-81.1000110.7I259 L260 Y293 K294 Q295 R296I259-Y263 WeakPolarHBondContact O-CB 3.25Å; I259-Y263 PolarHBondContact O-N 2.99Å; L260-Y263 VanDerWaalsContact O-O 3.07Å; Y263-Y293 AromaticContact CD1-CD2 3.62Å; Y263-Y293 HydrophobicContact CD1-CD2 3.62Å; Y263-Y293 HydrophobicContact CD1-CE2 4.33Å; Y263-Y293 HydrophobicContact CD1-CG 4.48Å; Y263-Y293 AromaticContact CE1-CD2 3.92Å; Y263-Y293 HydrophobicContact CE1-CD2 3.92Å; Y263-Y293 HydrophobicContact CE1-CE2 4.16Å; Y263-Y293 HydrophobicContact CG-CD2 4.38Å; Y263-K294 CarbonylContact C-O 3.51Å; Y263-K294 WeakPolarHBondContact CA-O 3.45Å; Y263-Q295 HydrophobicContact CD1-CB 4.1Å; Y263-Q295 HydrophobicContact CD1-CG 4.48Å; Y263-Q295 HydrophobicContact CE1-CB 3.98Å; Y263-Q295 HydrophobicContact CE1-CG 4.17Å; Y263-R296 PolarHBondContact O-NE 3.02Å; Y263-R296 VanDerWaalsContact O-NE 3.17Å; Y263-R296 PolarHBondContact O-NH2 2.69Å
264D96.2Very high95.8Very high80 Ų8049 Ų4943%0.42826%0.257SS..EExtended strand (participates in β ladder)trans-87.7113.8162.9-162.734.9000107.9Y293 K294 R296D264-Y293 CarbonylContact O-C 3.57Å; D264-Y293 VanDerWaalsContact O-CA 3.24Å; D264-Y293 WeakPolarHBondContact O-CA 3.43Å; D264-K294 PolarHBondContact N-O 2.87Å; D264-K294 PolarHBondContact O-N 2.68Å; D264-R296 HydrophobicContact CB-CG 4.28Å; D264-R296 IonicContact OD1-CZ 3.85Å; D264-R296 IonicContact OD1-NH1 2.75Å; D264-R296 PolarHBondContact OD1-NH1 3.22Å; D264-R296 IonicContact OD1-NH2 3.9Å; D264-R296 PolarHBondContact OD1-NH2 3.29Å
265C97.3Very high95.3Very high10 Ų1046.8 Ų46.87%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-113.9140.3-172.6-62.70000110.3L118 I291 E292L118-C265 HydrophobicContact CD1-CB 3.85Å; L118-C265 HydrophobicContact CD2-CB 3.9Å; L118-C265 WeakPolarHBondContact CD2-O 2.93Å; C265-I291 HydrophobicContact CB-CG2 4.02Å; C265-E292 CarbonylContact C-O 3.58Å; C265-E292 VanDerWaalsContact CA-O 3.29Å; C265-E292 WeakPolarHBondContact CA-O 3.43Å
266S96.3Very high94.5Very high46 Ų4653.1 Ų53.132%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-134.5136.1173.555.40000109.8I291 E292S266-I291 CarbonylContact O-C 3.56Å; S266-I291 WeakPolarHBondContact O-CA 3.29Å; S266-E292 PolarHBondContact N-O 3.3Å; S266-E292 PolarHBondContact O-N 3.12Å; S266-E292 WeakPolarHBondContact OG-CB 3.38Å; S266-E292 PolarHBondContact OG-OE2 3.2Å
267L96.4Very high93.4Very high39 Ų3959.7 Ų59.720%0.20430%0.301CS..EExtended strand (participates in β ladder)trans-78.1124.1175.7-165.569.9000108.7L118 D269 L271 I291L118-L267 HydrophobicContact CB-CB 4.03Å; L267-D269 VanDerWaalsContact CD2-O 3.24Å; L267-D269 WeakPolarHBondContact CD2-O 3.45Å; L267-D269 WeakPolarHBondContact CG-O 3.27Å; L267-L271 HydrophobicContact CD2-CD2 4.25Å; L267-I291 HydrophobicContact CD1-CD1 4.37Å; L267-I291 HydrophobicContact CD1-CG1 3.72Å
268L96Very high92.3Very high94 Ų9461.1 Ų61.149%0.49231%0.307SS..  trans-94.2-26-179.4-64.4-178.6000113.1R290 E292L268-R290 HydrophobicContact CB-CB 4.18Å; L268-R290 WeakPolarHBondContact CB-O 3.43Å; L268-R290 HydrophobicContact CD1-CB 4.21Å; L268-R290 PolarHBondContact N-O 3.11Å; L268-E292 HydrophobicContact CD1-CB 3.89Å; L268-E292 HydrophobicContact CD2-CB 3.93Å; L268-E292 HydrophobicContact CG-CB 3.89Å
269D95.2Very high91.1Very high32 Ų3262.3 Ų62.317%0.17131%0.314CS..SBendtrans-111157.2-178.1-64.7-37.5000110.3L267 R290L267-D269 VanDerWaalsContact CD2-O 3.24Å; L267-D269 WeakPolarHBondContact CD2-O 3.45Å; L267-D269 WeakPolarHBondContact CG-O 3.27Å; D269-R290 IonicContact OD1-CZ 3.28Å; D269-R290 IonicContact OD1-NE 3.08Å; D269-R290 PolarHBondContact OD1-NE 2.84Å; D269-R290 IonicContact OD1-NH2 2.92Å; D269-R290 PolarHBondContact OD1-NH2 2.94Å; D269-R290 WeakPolarHBondContact OD2-CB 3.31Å; D269-R290 WeakPolarHBondContact OD2-CG 3.21Å; D269-R290 IonicContact OD2-CZ 2.8Å; D269-R290 PolarHBondContact OD2-N 3.4Å; D269-R290 IonicContact OD2-NE 3.53Å; D269-R290 PolarHBondContact OD2-NE 3.04Å; D269-R290 IonicContact OD2-NH2 3.29Å
270P93.5Very high90.2Very high112 Ų11263 Ų6373%0.72732%0.32SS*.PPolyproline II helixtrans-61.3158.6168.328.2-35000110.7
271L94.4Very high89.5Confident63 Ų6363.4 Ų63.433%0.3332%0.324SS..PPolyproline II helixtrans-54124.9173.9-75.3177.2000110.1A115 Y116 L267A115-L271 HydrophobicContact CB-CD2 3.66Å; Y116-L271 HydrophobicContact CD1-CD1 3.7Å; Y116-L271 HydrophobicContact CE1-CD1 3.71Å; L267-L271 HydrophobicContact CD2-CD2 4.25Å
272P93.6Very high89.2Confident18 Ų1863.4 Ų63.412%0.11733%0.325CS..PPolyproline II helixtrans-68.9157.8-18028-33.8000110.4F111 W112 P285 C289F111-P272 HydrophobicContact CE1-CG 4.22Å; F111-P272 HydrophobicContact CZ-CG 4.07Å; W112-P272 HydrophobicContact CH2-CB 4.38Å; W112-P272 HydrophobicContact CH2-CG 3.73Å; W112-P272 VanDerWaalsContact CH2-O 3.23Å; W112-P272 WeakPolarHBondContact CH2-O 3.43Å; W112-P272 HydrophobicContact CZ3-CG 3.73Å; W112-P272 WeakPolarHBondContact CZ3-O 2.97Å; P272-P285 HydrophobicContact CB-CB 3.91Å; P272-P285 HydrophobicContact CG-CB 3.52Å; P272-C289 HydrophobicContact CB-CB 4.46Å; P272-C289 HydrophobicContact CG-CB 3.81Å
273K92.1Very high88.8Confident147 Ų14761 Ų6164%0.63932%0.315SS*.PPolyproline II helixtrans-69.1159166.6-67.5-179.1-177.5176.60109.5E286K273-E286 HydrophobicContact CB-CB 4.27Å; K273-E286 WeakPolarHBondContact CB-OE2 3.47Å; K273-E286 PolarHBondContact O-N 3.2Å
274Q89.9Confident88.4Confident21 Ų2159.8 Ų59.810%0.09831%0.312CS..BIsolated β-bridgetrans-81.6141.117167.4-176.539.600109.9W112 Y276 P283W112-Q274 HydrophobicContact CZ2-CB 4.26Å; Q274-Y276 HydrophobicContact CG-CE1 4.25Å; Q274-P283 HydrophobicContact CB-CB 3.91Å
275S86.2Confident88.2Confident18 Ų1857.4 Ų57.413%0.12630%0.301CS..PPolyproline II helixtrans-69137169.8176.50000110.2L277 Q284S275-L277 PolarHBondContact OG-N 3.32Å; S275-Q284 WeakPolarHBondContact CB-O 3.3Å; S275-Q284 PolarHBondContact N-O 3.48Å
276Y78.9Confident87.9Confident181 Ų18162.2 Ų62.271%0.7132%0.322SS*.SBendtrans-93.93174.8-57.9-75.6000113Q274 H278Q274-Y276 HydrophobicContact CG-CE1 4.25Å; Y276-H278 VanDerWaalsContact C-N 3.3Å
277L75.4Confident87.5Confident139 Ų13963.2 Ų63.273%0.72834%0.34SS*.SBendtrans-77-18-177.6-61.2176.1000113S275S275-L277 PolarHBondContact OG-N 3.32Å
278H73.5Confident87.2Confident29 Ų2969.5 Ų69.513%0.13437%0.369CS..  trans-103.5107.1179.5-59.876.6000109.2Y276Y276-H278 VanDerWaalsContact C-N 3.3Å
279L71.8Confident87.1Confident88 Ų8866.2 Ų66.246%0.46135%0.353SS..SBendtrans-79.7-31.4172-166.467.4000111.5E30 V171E30-L279 WeakPolarHBondContact OE1-CA 3.5Å; E30-L279 WeakPolarHBondContact OE1-CB 3.3Å; E30-L279 PolarHBondContact OE1-N 2.9Å; E30-L279 WeakPolarHBondContact OE2-CB 3.48Å; V171-L279 HydrophobicContact CG1-CD1 3.67Å; V171-L279 HydrophobicContact CG1-CD2 4.03Å; V171-L279 HydrophobicContact CG1-CG 3.7Å
280V78.4Confident87.1Confident65 Ų6571.5 Ų71.539%0.39437%0.37SS..SBendtrans-116.8143-179.8-165.30000109.1E30 W100E30-V280 HydrophobicContact CG-CB 4.13Å; E30-V280 HydrophobicContact CG-CG2 3.81Å; E30-V280 PolarHBondContact OE1-N 2.93Å; W100-V280 HydrophobicContact CH2-CB 4.4Å; W100-V280 HydrophobicContact CH2-CG1 3.78Å
281G83Confident87.3Confident7 Ų768.2 Ų68.27%0.07235%0.346CS..SBendtrans86.6-178.3-172.800000112.1N105 P169N105-G281 WeakPolarHBondContact OD1-CA 3.31Å; P169-G281 WeakPolarHBondContact CB-O 3.47Å
282V90Very high87.4Confident11 Ų1169.1 Ų69.17%0.06735%0.349CS..SBendtrans-86.1128.2179.9170.80000108.3S104 N105 P108 V109 K167 Q284S104-V282 PolarHBondContact O-N 3.35Å; N105-V282 HydrophobicContact CB-CG2 4.33Å; N105-V282 PolarHBondContact OD1-N 2.91Å; P108-V282 HydrophobicContact CB-CB 4.21Å; P108-V282 HydrophobicContact CB-CG1 3.87Å; P108-V282 HydrophobicContact CG-CB 3.8Å; P108-V282 HydrophobicContact CG-CG1 4.03Å; V109-V282 HydrophobicContact CG2-CB 4.24Å; V109-V282 HydrophobicContact CG2-CG1 3.93Å; V109-V282 HydrophobicContact CG2-CG2 3.67Å; K167-V282 HydrophobicContact CB-CG1 4.17Å; V282-Q284 PolarHBondContact O-N 2.88Å
283P89.7Confident87.5Confident5 Ų575.7 Ų75.73%0.03237%0.372CS..PPolyproline II helixtrans-54.5127.5-178.6-28.536.6000112.4W112 K167 Q274W112-P283 PolarHBondContact NE1-O 3.5Å; K167-P283 VanDerWaalsContact O-CD 3.24Å; K167-P283 WeakPolarHBondContact O-CD 3.37Å; Q274-P283 HydrophobicContact CB-CB 3.91Å
284Q89.7Confident87.8Confident50 Ų5074.8 Ų74.823%0.23437%0.368CS..PPolyproline II helixtrans-70.8157.3173.9-63.1-67.9-1000111.1S275 V282S275-Q284 WeakPolarHBondContact CB-O 3.3Å; S275-Q284 PolarHBondContact N-O 3.48Å; V282-Q284 PolarHBondContact O-N 2.88Å
285P91.6Very high88.1Confident30 Ų3079.3 Ų79.320%0.19539%0.39CS..BIsolated β-bridgetrans-63.3142.6168.828-35.2000111.7F111 W112 P272F111-P285 HydrophobicContact CD1-CG 4.04Å; F111-P285 HydrophobicContact CE1-CB 3.65Å; F111-P285 HydrophobicContact CE1-CG 3.56Å; F111-P285 HydrophobicContact CZ-CB 4.01Å; F111-P285 HydrophobicContact CZ-CG 3.9Å; W112-P285 HydrophobicContact CH2-CB 4.04Å; W112-P285 HydrophobicContact CZ2-CB 3.92Å; P272-P285 HydrophobicContact CB-CB 3.91Å; P272-P285 HydrophobicContact CG-CB 3.52Å
286E90.8Very high88.4Confident111 Ų11180.9 Ų80.952%0.51939%0.393SS..SBendtrans-77.4121.6167.6-171.8178.2-158.200109.1K273K273-E286 HydrophobicContact CB-CB 4.27Å; K273-E286 WeakPolarHBondContact CB-OE2 3.47Å; K273-E286 PolarHBondContact O-N 3.2Å
287G88.2Confident88.7Confident67 Ų6779.9 Ų79.969%0.69140%0.398SS*.SBendtrans74-150.9179.500000113.9
288Q90.3Very high89.4Confident172 Ų17277 Ų7780%0.80438%0.382SS*.  trans-104.8144.7-177.6-65.4-176.1-10.800110.9
289C93.8Very high90.2Very high24 Ų2479.5 Ų79.516%0.16240%0.395CS..  trans-134.3109.9172176.90000108.5F111 P272F111-C289 HydrophobicContact CE2-CB 4.09Å; F111-C289 HydrophobicContact CZ-CB 3.72Å; P272-C289 HydrophobicContact CB-CB 4.46Å; P272-C289 HydrophobicContact CG-CB 3.81Å
290R95.6Very high91.3Very high143 Ų14379 Ų7954%0.5439%0.391SS..  trans-89.4132-174.3-61.5171.8-63.6166.84.1110.2L268 D269L268-R290 HydrophobicContact CB-CB 4.18Å; L268-R290 WeakPolarHBondContact CB-O 3.43Å; L268-R290 HydrophobicContact CD1-CB 4.21Å; L268-R290 PolarHBondContact N-O 3.11Å; D269-R290 IonicContact OD1-CZ 3.28Å; D269-R290 IonicContact OD1-NE 3.08Å; D269-R290 PolarHBondContact OD1-NE 2.84Å; D269-R290 IonicContact OD1-NH2 2.92Å; D269-R290 PolarHBondContact OD1-NH2 2.94Å; D269-R290 WeakPolarHBondContact OD2-CB 3.31Å; D269-R290 WeakPolarHBondContact OD2-CG 3.21Å; D269-R290 IonicContact OD2-CZ 2.8Å; D269-R290 PolarHBondContact OD2-N 3.4Å; D269-R290 IonicContact OD2-NE 3.53Å; D269-R290 PolarHBondContact OD2-NE 3.04Å; D269-R290 IonicContact OD2-NH2 3.29Å
291I96.1Very high92Very high43 Ų4379.8 Ų79.822%0.22139%0.391CS..EExtended strand (participates in β ladder)trans-117.4119.3171.9-64170.5000106.5L114 L118 C265 S266 L267L114-I291 HydrophobicContact CD2-CD1 3.89Å; L114-I291 HydrophobicContact CG-CD1 4.23Å; L118-I291 HydrophobicContact CD1-CD1 4.15Å; L118-I291 HydrophobicContact CD1-CG1 4.3Å; L118-I291 HydrophobicContact CD1-CG2 3.84Å; C265-I291 HydrophobicContact CB-CG2 4.02Å; S266-I291 CarbonylContact O-C 3.56Å; S266-I291 WeakPolarHBondContact O-CA 3.29Å; L267-I291 HydrophobicContact CD1-CD1 4.37Å; L267-I291 HydrophobicContact CD1-CG1 3.72Å
292E96.9Very high92.6Very high82 Ų8284.4 Ų84.438%0.38341%0.411SS..EExtended strand (participates in β ladder)trans-76.1139.7166.8174.5-177.6-139.700108.3C265 S266 L268 K294C265-E292 CarbonylContact C-O 3.58Å; C265-E292 VanDerWaalsContact CA-O 3.29Å; C265-E292 WeakPolarHBondContact CA-O 3.43Å; S266-E292 PolarHBondContact N-O 3.3Å; S266-E292 PolarHBondContact O-N 3.12Å; S266-E292 WeakPolarHBondContact OG-CB 3.38Å; S266-E292 PolarHBondContact OG-OE2 3.2Å; L268-E292 HydrophobicContact CD1-CB 3.89Å; L268-E292 HydrophobicContact CD2-CB 3.93Å; L268-E292 HydrophobicContact CG-CB 3.89Å; E292-K294 WeakPolarHBondContact OE1-CE 3.41Å; E292-K294 IonicContact OE1-NZ 3.06Å
293Y96.8Very high92.7Very high156 Ų15689.3 Ų89.361%0.61243%0.434SS*.EExtended strand (participates in β ladder)trans-138.2142.5174.867.7-90.6000111.6Y263 D264Y263-Y293 AromaticContact CD1-CD2 3.62Å; Y263-Y293 HydrophobicContact CD1-CD2 3.62Å; Y263-Y293 HydrophobicContact CD1-CE2 4.33Å; Y263-Y293 HydrophobicContact CD1-CG 4.48Å; Y263-Y293 AromaticContact CE1-CD2 3.92Å; Y263-Y293 HydrophobicContact CE1-CD2 3.92Å; Y263-Y293 HydrophobicContact CE1-CE2 4.16Å; Y263-Y293 HydrophobicContact CG-CD2 4.38Å; D264-Y293 CarbonylContact O-C 3.57Å; D264-Y293 VanDerWaalsContact O-CA 3.24Å; D264-Y293 WeakPolarHBondContact O-CA 3.43Å
294K96.8Very high93Very high128 Ų12895.3 Ų95.356%0.55746%0.463SS*.EExtended strand (participates in β ladder)trans-127.4131.2173.1-66.8175.4-174.1164.50108.8Y263 D264 E292 R296Y263-K294 CarbonylContact C-O 3.51Å; Y263-K294 WeakPolarHBondContact CA-O 3.45Å; D264-K294 PolarHBondContact N-O 2.87Å; D264-K294 PolarHBondContact O-N 2.68Å; E292-K294 WeakPolarHBondContact OE1-CE 3.41Å; E292-K294 IonicContact OE1-NZ 3.06Å; K294-R296 PolarHBondContact O-N 3.37Å
295Q96.1Very high93.2Very high116 Ų11698.8 Ų98.854%0.54248%0.48SS..EExtended strand (participates in β ladder)trans-64.9129.5177.4-169.4175.410.400109.7Y263Y263-Q295 HydrophobicContact CD1-CB 4.1Å; Y263-Q295 HydrophobicContact CD1-CG 4.48Å; Y263-Q295 HydrophobicContact CE1-CB 3.98Å; Y263-Q295 HydrophobicContact CE1-CG 4.17Å
296R93.8Very high93.4Very high51 Ų51104.5 Ų104.519%0.19250%0.504CS..  trans-68.9146177.6-65-175.4-175.3-75.2-3.7110.2L260 Y261 K262 Y263 D264 K294L260-R296 PolarHBondContact O-NE 3.13Å; Y261-R296 WeakPolarHBondContact O-CD 3.45Å; K262-R296 PolarHBondContact O-N 2.73Å; Y263-R296 PolarHBondContact O-NE 3.02Å; Y263-R296 VanDerWaalsContact O-NE 3.17Å; Y263-R296 PolarHBondContact O-NH2 2.69Å; D264-R296 HydrophobicContact CB-CG 4.28Å; D264-R296 IonicContact OD1-CZ 3.85Å; D264-R296 IonicContact OD1-NH1 2.75Å; D264-R296 PolarHBondContact OD1-NH1 3.22Å; D264-R296 IonicContact OD1-NH2 3.9Å; D264-R296 PolarHBondContact OD1-NH2 3.29Å; K294-R296 PolarHBondContact O-N 3.37Å
297I85.4Confident93.6Very high161 Ų161103.9 Ų103.983%0.82650%0.503SS*.  trans-94.50179.5-59173.4000109.5K140K140-I297 WeakPolarHBondContact CE-OXT 3.38Å; K140-I297 WeakPolarHBondContact CG-OXT 3.42Å

Retrieved 297 of 297 residues in 157.3 ms (Link to these results)

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