A0A060WPY0_ONCMY Loading...

von Hippel-Lindau disease tumor suppressor

Involved in the ubiquitination and subsequent proteasomal degradation via the von Hippel-Lindau ubiquitination complex. Seems to act as a target recruitment subunit in the E3 ubiquitin ligase complex and recruits hydroxylated hypoxia-inducible factor (HIF) under normoxic conditions. Involved in transcriptional repression through interaction with HIF1A, HIF1AN and histone deacetylases. Ubiquitinates, in an oxygen-responsive manner, ADRB2. Acts as a negative regulator of mTORC1 by promoting ubiquitination and degradation of RPTOR.

AlphaFold DB , UniProt , Accession A0A060WPY0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene vhl, Length 171 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
1M31.2Very low47.9Very low226 Ų226151.6 Ų151.6100%1.11380%0.803SS**  0130.70-95-76.3-62.900108.3
2P54.4Low51.2Low97 Ų97146.6 Ų146.663%0.6378%0.776SS**  cis-127.3-177.8-47.532.9-12.1000108.4
3Q40.9Very low54.3Low184 Ų184139.9 Ų139.986%0.8675%0.746SS**  cis-155.6147.935.7-74174.1-43.900110.9
4E51.4Low57Low157 Ų157135.4 Ų135.473%0.73472%0.722SS**  trans-63149.3165.9-56.3170139.200111.4
5I44.1Very low59.6Low165 Ų165127.3 Ų127.385%0.84668%0.679SS**  trans-129.392.4146.2-56.3179.4000106.7G7I5-G7 VanDerWaalsContact C-N 3.31Å; I5-G7 PolarHBondContact O-N 2.88Å; I5-G7 VanDerWaalsContact O-N 3.12Å
6Q42.5Very low62Low164 Ų164123.6 Ų123.677%0.76665%0.653SS**  trans-67.894.2156.4-69.1174.512.600106.8G8Q6-G8 VanDerWaalsContact C-N 3.32Å; Q6-G8 PolarHBondContact O-N 2.78Å; Q6-G8 VanDerWaalsContact O-N 3.13Å
7G38.3Very low64.1Low64 Ų64116.5 Ų116.566%0.6662%0.616SS**  trans-78.485.7167.900000108.6I5 E9I5-G7 VanDerWaalsContact C-N 3.31Å; I5-G7 PolarHBondContact O-N 2.88Å; I5-G7 VanDerWaalsContact O-N 3.12Å; G7-E9 PolarHBondContact O-N 3.18Å
8G40.9Very low65.8Low66 Ų66115.3 Ų115.368%0.6861%0.609SS**  trans-57.2120.516200000107.4Q6 E10Q6-G8 VanDerWaalsContact C-N 3.32Å; Q6-G8 PolarHBondContact O-N 2.78Å; Q6-G8 VanDerWaalsContact O-N 3.13Å; G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.25Å
9E47.1Very low67.3Low186 Ų186118.7 Ų118.787%0.86962%0.618SS**  trans-57.1103.4169.2-70.7-178.4154.800106.9G7 Q11G7-E9 PolarHBondContact O-N 3.18Å; E9-Q11 PolarHBondContact O-N 3.47Å
10E58.9Low68.7Low169 Ų169115 Ų11579%0.7960%0.603SS**  trans-57.4106170.6-84.7-176161.700106.9G8 L12G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.25Å; E10-L12 PolarHBondContact O-N 3.24Å
11Q77.8Confident69.8Low190 Ų190112.3 Ų112.389%0.88860%0.603SS**  trans-60.7106.2174.8-81.9-177.6-9.700108E9E9-Q11 PolarHBondContact O-N 3.47Å
12L86.8Confident72.9Confident91 Ų91105.5 Ų105.548%0.47657%0.57SS.*  trans-63.8138.4-179.7-68.7172.7000109.9E10 L14E10-L12 PolarHBondContact O-N 3.24Å; L12-L14 PolarHBondContact O-N 3.2Å
13P91.8Very high74.7Confident60 Ų60104 Ų10439%0.3956%0.561SS.*  trans-54.8141.1179.5-27.735.3000112.7V15 R16 R44P13-V15 PolarHBondContact O-N 2.98Å; P13-R16 WeakPolarHBondContact O-CD 3.22Å; P13-R16 WeakPolarHBondContact O-CG 3.33Å; P13-R16 PolarHBondContact O-NH1 2.96Å; P13-R44 WeakPolarHBondContact CD-O 3.28Å; P13-R44 WeakPolarHBondContact CG-O 3.49Å
14L92.5Very high77.3Confident77 Ų7795.3 Ų95.340%0.40352%0.52SS..SBendtrans-57.5-37.2178.4-68.4173.4000112.4L12 R16 V157 E158 L161L12-L14 PolarHBondContact O-N 3.2Å; L14-R16 PolarHBondContact O-NH1 3.21Å; L14-V157 HydrophobicContact CB-CG1 4.31Å; L14-V157 HydrophobicContact CD1-CG1 4.4Å; L14-E158 HydrophobicContact CD1-CB 3.57Å; L14-E158 HydrophobicContact CD1-CG 4.08Å; L14-L161 HydrophobicContact CD1-CD1 4.44Å; L14-L161 HydrophobicContact CD2-CD1 4.21Å
15V95.9Very high79.4Confident14 Ų1490.3 Ų90.39%0.08550%0.498CS..SBendtrans-95.598.8178-175.80000109.1P13 M87 L150 I153 A154 V157P13-V15 PolarHBondContact O-N 2.98Å; V15-M87 HydrophobicContact CG1-CE 4.31Å; V15-M87 HydrophobicContact CG1-SD 4.14Å; V15-L150 HydrophobicContact CG1-CD2 3.96Å; V15-I153 HydrophobicContact CG2-CB 4.48Å; V15-I153 HydrophobicContact CG2-CG2 3.86Å; V15-A154 HydrophobicContact CG2-CB 3.9Å; V15-V157 HydrophobicContact CG2-CG2 4.36Å
16R97.1Very high81.8Confident68 Ų6882.5 Ų82.526%0.25746%0.459SS..SBendtrans-157.3169.1178.468.5-170.6-179.7-56.7-3.3110.6P13 L14 N42 F43P13-R16 WeakPolarHBondContact O-CD 3.22Å; P13-R16 WeakPolarHBondContact O-CG 3.33Å; P13-R16 PolarHBondContact O-NH1 2.96Å; L14-R16 PolarHBondContact O-NH1 3.21Å; R16-N42 WeakPolarHBondContact CB-O 3.38Å; R16-F43 WeakPolarHBondContact CD-O 3.35Å
17S97.8Very high84.5Confident3 Ų376.6 Ų76.62%0.02143%0.433CS..  trans-71.3146.4170.1-73.40000113.1W40 I41 N42 F43 G66 H67 P68S17-W40 PolarHBondContact OG-NE1 3.45Å; S17-I41 WeakPolarHBondContact CB-O 3.47Å; S17-I41 PolarHBondContact N-O 2.93Å; S17-I41 PolarHBondContact OG-O 3.25Å; S17-N42 PolarHBondContact N-O 3.41Å; S17-F43 WeakPolarHBondContact O-CD1 3.39Å; S17-G66 WeakPolarHBondContact CA-O 3.49Å; S17-H67 WeakPolarHBondContact OG-CA 3.3Å; S17-P68 WeakPolarHBondContact OG-CD 3.37Å
18L95.9Very high87.3Confident94 Ų9473.5 Ų73.549%0.49240%0.402SS..  trans-107.4144.1171-57.8179.9000110.7S20 G66L18-S20 PolarHBondContact O-N 3.04Å; L18-G66 PolarHBondContact N-O 3.41Å
19K93.8Very high90Very high180 Ų18071.2 Ų71.278%0.78338%0.375SS*.  trans-80.666.5175.9-65.6-177.9-178.7178.40110.8G21 F43K19-G21 VanDerWaalsContact C-N 3.34Å; K19-F43 HydrophobicContact CB-CE1 4.43Å; K19-F43 HydrophobicContact CG-CD1 3.78Å; K19-F43 HydrophobicContact CG-CE1 3.55Å; K19-F43 HydrophobicContact CG-CZ 4.09Å
20S94.3Very high92.5Very high45 Ų4562.5 Ų62.532%0.31533%0.334SS..  trans-69.6-31-179.465.80000113.2L18 I22 V65L18-S20 PolarHBondContact O-N 3.04Å; S20-I22 PolarHBondContact O-N 3.37Å; S20-I22 PolarHBondContact OG-N 2.91Å; S20-V65 VanDerWaalsContact CB-O 3.23Å; S20-V65 WeakPolarHBondContact CB-O 3.37Å; S20-V65 PolarHBondContact OG-O 3.18Å
21G93Very high94.4Very high59 Ų5961.3 Ų61.361%0.60832%0.323SS*.  trans69.32.2-17100000114.2K19 P23K19-G21 VanDerWaalsContact C-N 3.34Å; G21-P23 VanDerWaalsContact O-CD 3.3Å; G21-P23 WeakPolarHBondContact O-CD 3.35Å
22I94.9Very high95.3Very high82 Ų8252.5 Ų52.542%0.42128%0.282SS..  trans-93.2108.9-178.5-57.5165.8000108.5S20 F64 V65 P92S20-I22 PolarHBondContact O-N 3.37Å; S20-I22 PolarHBondContact OG-N 2.91Å; I22-F64 CarbonylContact O-C 3.41Å; I22-F64 VanDerWaalsContact O-CA 3.29Å; I22-F64 WeakPolarHBondContact O-CA 3.4Å; I22-V65 HydrophobicContact CB-CB 4.12Å; I22-V65 HydrophobicContact CB-CG2 3.95Å; I22-V65 HydrophobicContact CG2-CB 4.41Å; I22-V65 HydrophobicContact CG2-CG2 3.71Å; I22-V65 PolarHBondContact O-N 3.49Å; I22-P92 HydrophobicContact CG2-CB 4.46Å
23P93.8Very high95.8Very high67 Ų6752.7 Ų52.744%0.43529%0.289SS..EExtended strand (participates in β ladder)trans-67.1146.6-178.327.6-34.3000111.6G21 F64 M93G21-P23 VanDerWaalsContact O-CD 3.3Å; G21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-F64 HydrophobicContact CB-CE1 4.44Å; P23-M93 HydrophobicContact CB-CE 4.39Å; P23-M93 HydrophobicContact CG-CE 4.19Å
24S94.8Very high96.1Very high0 Ų051.9 Ų51.90%028%0.278CS..EExtended strand (participates in β ladder)trans-143.8133.1176.1-173.70000109.9T63 P90 K91S24-T63 PolarHBondContact N-O 3.17Å; S24-T63 CarbonylContact O-C 3.58Å; S24-T63 WeakPolarHBondContact O-CG2 3.42Å; S24-T63 PolarHBondContact O-N 3.13Å; S24-P90 WeakPolarHBondContact OG-CB 3.34Å; S24-K91 WeakPolarHBondContact CB-O 3.45Å; S24-K91 PolarHBondContact OG-O 3.14Å
25N95Very high96.3Very high53 Ų5350.4 Ų50.428%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-104.8132.9177.2-66.9-23.8000109.5N62 M93 A98 V99N25-N62 PolarHBondContact OD1-OD1 2.89Å; N25-N62 VanDerWaalsContact OD1-OD1 3.1Å; N25-M93 HydrophobicContact CB-SD 4.12Å; N25-M93 PolarHBondContact ND2-SD 2.93Å; N25-A98 HydrophobicContact CB-CB 3.92Å; N25-A98 CarbonylContact O-C 3.6Å; N25-A98 VanDerWaalsContact O-CA 3.29Å; N25-A98 WeakPolarHBondContact O-CA 3.23Å; N25-V99 PolarHBondContact O-N 3.41Å
26A96.2Very high96.4Very high1 Ų149.7 Ų49.71%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-126.5154176.500000111F28 M61 F88 V99 V101A26-F28 HydrophobicContact CB-CD1 4.11Å; A26-F28 HydrophobicContact CB-CE1 3.68Å; A26-M61 PolarHBondContact N-O 3.29Å; A26-M61 PolarHBondContact O-N 3.45Å; A26-F88 HydrophobicContact CB-CE1 3.79Å; A26-F88 HydrophobicContact CB-CZ 3.99Å; A26-V99 CarbonylContact C-O 3.49Å; A26-V99 VanDerWaalsContact CA-O 3.26Å; A26-V99 WeakPolarHBondContact CA-O 3.49Å; A26-V101 HydrophobicContact CB-CG2 4.18Å
27V97.3Very high96.4Very high39 Ų3950.1 Ų50.124%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-118.8105.9168.2-173.20000107.7C29 M59 K60 A98 V99 V101V27-C29 PolarHBondContact O-N 3.41Å; V27-M59 CarbonylContact C-O 3.48Å; V27-M59 WeakPolarHBondContact CA-O 3.25Å; V27-K60 HydrophobicContact CG2-CG 4.38Å; V27-A98 HydrophobicContact CG2-CB 3.86Å; V27-V99 PolarHBondContact N-O 2.64Å; V27-V101 PolarHBondContact O-N 3.46Å
28F98.3Very high96.5Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-77.5116.4175.6-58.8-18000108.7A26 M36 P38 L53 G58 M59 M61 W69 F71 F88 V101A26-F28 HydrophobicContact CB-CD1 4.11Å; A26-F28 HydrophobicContact CB-CE1 3.68Å; F28-M36 HydrophobicContact CB-CE 4.45Å; F28-P38 HydrophobicContact CD2-CB 4.15Å; F28-P38 HydrophobicContact CD2-CG 4.07Å; F28-P38 HydrophobicContact CE2-CB 4.11Å; F28-P38 HydrophobicContact CE2-CG 4.5Å; F28-L53 WeakPolarHBondContact O-CD2 3.37Å; F28-G58 CarbonylContact O-C 3.59Å; F28-G58 WeakPolarHBondContact O-CA 3.48Å; F28-M59 HydrophobicContact CD2-CE 3.75Å; F28-M59 HydrophobicContact CE2-CE 4.35Å; F28-M59 PolarHBondContact N-O 3.08Å; F28-M59 PolarHBondContact O-N 3.29Å; F28-M61 HydrophobicContact CD2-CB 4.18Å; F28-M61 HydrophobicContact CE1-CB 4.26Å; F28-M61 HydrophobicContact CE2-CB 3.77Å; F28-M61 HydrophobicContact CE2-CE 4.2Å; F28-M61 HydrophobicContact CE2-CG 3.71Å; F28-M61 HydrophobicContact CZ-CB 3.83Å; F28-M61 HydrophobicContact CZ-CG 3.71Å; F28-W69 HydrophobicContact CE2-CD2 4.13Å; F28-W69 AromaticContact CE2-CE3 3.84Å; F28-W69 HydrophobicContact CE2-CE3 3.84Å; F28-W69 HydrophobicContact CE2-CH2 4.36Å; F28-W69 AromaticContact CE2-CZ3 3.96Å; F28-W69 HydrophobicContact CE2-CZ3 3.96Å; F28-W69 AromaticContact CZ-CD2 3.76Å; F28-W69 HydrophobicContact CZ-CD2 3.76Å; F28-W69 AromaticContact CZ-CE3 3.97Å; F28-W69 HydrophobicContact CZ-CE3 3.97Å; F28-W69 HydrophobicContact CZ-CG 4.03Å; F28-W69 HydrophobicContact CZ-CZ3 4.4Å; F28-F71 HydrophobicContact CB-CE1 4.12Å; F28-F71 HydrophobicContact CD1-CE1 4.05Å; F28-F71 AromaticContact CD1-CZ 3.8Å; F28-F71 HydrophobicContact CD1-CZ 3.8Å; F28-F71 AromaticContact CD2-CE1 3.64Å; F28-F71 HydrophobicContact CD2-CE1 3.64Å; F28-F71 HydrophobicContact CD2-CZ 4.11Å; F28-F71 HydrophobicContact CE1-CE1 4.35Å; F28-F71 AromaticContact CE1-CZ 3.83Å; F28-F71 HydrophobicContact CE1-CZ 3.83Å; F28-F71 AromaticContact CE2-CE1 3.97Å; F28-F71 HydrophobicContact CE2-CE1 3.97Å; F28-F71 HydrophobicContact CE2-CZ 4.14Å; F28-F71 AromaticContact CG-CE1 3.68Å; F28-F71 HydrophobicContact CG-CE1 3.68Å; F28-F71 AromaticContact CG-CZ 3.94Å; F28-F71 HydrophobicContact CG-CZ 3.94Å; F28-F71 HydrophobicContact CZ-CE1 4.31Å; F28-F71 AromaticContact CZ-CZ 4Å; F28-F71 HydrophobicContact CZ-CZ 4Å; F28-F88 AromaticContact CE1-CD1 3.93Å; F28-F88 HydrophobicContact CE1-CD1 3.93Å; F28-F88 HydrophobicContact CE1-CE1 4.01Å; F28-V101 HydrophobicContact CD1-CB 3.86Å; F28-V101 HydrophobicContact CD1-CG1 4.38Å; F28-V101 HydrophobicContact CD1-CG2 3.93Å; F28-V101 HydrophobicContact CE1-CB 4.45Å; F28-V101 HydrophobicContact CE1-CG2 4.11Å
29C98.3Very high96.6Very high18 Ų1845.6 Ų45.612%0.12224%0.243CC..EExtended strand (participates in β ladder)trans-111110.9-179.4-63.30000109.4V27 R31 Q100 V101 V103V27-C29 PolarHBondContact O-N 3.41Å; C29-R31 HydrophobicContact CB-CG 4.43Å; C29-R31 PolarHBondContact O-N 3.02Å; C29-Q100 PolarHBondContact SG-NE2 3.39Å; C29-Q100 VanDerWaalsContact SG-NE2 3.37Å; C29-V101 PolarHBondContact N-O 2.84Å; C29-V103 PolarHBondContact O-N 3.27Å
30N98.5Very high96.8Very high2 Ų238.9 Ų38.91%0.01121%0.213CC..EExtended strand (participates in β ladder)trans-74.898174.2-175.41.7000109.6S32 R34 M36 L53 Q54 G56 K57N30-S32 VanDerWaalsContact C-N 3.32Å; N30-S32 WeakPolarHBondContact OD1-CA 3.44Å; N30-S32 WeakPolarHBondContact OD1-CB 3.44Å; N30-S32 PolarHBondContact OD1-N 2.84Å; N30-S32 PolarHBondContact OD1-O 3.28Å; N30-S32 PolarHBondContact OD1-OG 2.7Å; N30-R34 PolarHBondContact ND2-O 2.92Å; N30-M36 HydrophobicContact CB-CB 4.46Å; N30-M36 HydrophobicContact CB-CE 4.18Å; N30-M36 HydrophobicContact CB-SD 4.37Å; N30-L53 HydrophobicContact CB-CD2 3.98Å; N30-L53 HydrophobicContact CB-CG 4.11Å; N30-L53 PolarHBondContact ND2-O 2.7Å; N30-Q54 PolarHBondContact ND2-O 2.64Å; N30-G56 WeakPolarHBondContact O-CA 3.42Å; N30-G56 PolarHBondContact O-N 3.39Å; N30-K57 PolarHBondContact N-O 2.9Å
31R98.2Very high97Very high145 Ų14536.7 Ų36.755%0.54720%0.198SC..  trans-99.421.4173.7-59.8-164.5-175.3-176.23.1111.8C29 N102 V103 T104C29-R31 HydrophobicContact CB-CG 4.43Å; C29-R31 PolarHBondContact O-N 3.02Å; R31-N102 PolarHBondContact NE-OD1 3.18Å; R31-N102 PolarHBondContact NH2-OD1 3.38Å; R31-V103 CarbonylContact C-O 3.5Å; R31-V103 WeakPolarHBondContact CA-O 3.36Å; R31-V103 PolarHBondContact N-O 2.75Å; R31-T104 HydrophobicContact CB-CG2 4.07Å
32S97.7Very high97.3Very high5 Ų534.5 Ų34.54%0.03517%0.172CC..SBendtrans-105.1159173.885.20000110.3N30 R34 P55 V103N30-S32 VanDerWaalsContact C-N 3.32Å; N30-S32 WeakPolarHBondContact OD1-CA 3.44Å; N30-S32 WeakPolarHBondContact OD1-CB 3.44Å; N30-S32 PolarHBondContact OD1-N 2.84Å; N30-S32 PolarHBondContact OD1-O 3.28Å; N30-S32 PolarHBondContact OD1-OG 2.7Å; S32-R34 PolarHBondContact O-N 3.39Å; S32-R34 PolarHBondContact OG-N 3.23Å; S32-R34 VanDerWaalsContact OG-N 3.15Å; S32-R34 PolarHBondContact OG-O 2.97Å; S32-P55 WeakPolarHBondContact O-CB 3.41Å; S32-V103 PolarHBondContact N-O 2.72Å
33P97.1Very high97.4Very high94 Ų9434.1 Ų34.161%0.6117%0.168SC*.SBendtrans-784.6170.134.3-36.5000112.9L105P33-L105 HydrophobicContact CG-CD1 3.74Å
34R97.1Very high97.5Very high43 Ų4337.8 Ų37.816%0.16217%0.173CC..SBendtrans-94.8152.2-177.1-56.2-51.4-164.1129.29111.2N30 S32 M36 D73 L80 L105N30-R34 PolarHBondContact ND2-O 2.92Å; S32-R34 PolarHBondContact O-N 3.39Å; S32-R34 PolarHBondContact OG-N 3.23Å; S32-R34 VanDerWaalsContact OG-N 3.15Å; S32-R34 PolarHBondContact OG-O 2.97Å; R34-M36 PolarHBondContact O-N 3.45Å; R34-D73 WeakPolarHBondContact CB-OD2 3.41Å; R34-D73 VanDerWaalsContact CD-OD2 3.28Å; R34-D73 WeakPolarHBondContact CD-OD2 3.19Å; R34-D73 WeakPolarHBondContact CG-OD2 3.49Å; R34-D73 IonicContact CZ-OD2 3.59Å; R34-D73 IonicContact NE-OD2 3.44Å; R34-D73 IonicContact NH1-OD2 2.75Å; R34-D73 PolarHBondContact NH1-OD2 3.15Å; R34-L80 HydrophobicContact CG-CD2 4.44Å; R34-L105 HydrophobicContact CG-CD2 3.88Å
35I98Very high97.6Very high46 Ų4638.5 Ų38.524%0.23618%0.18CC..PPolyproline II helixtrans-72.9116.8163.4-57.1175.6000106.3I52 A74I35-I52 HydrophobicContact CG2-CB 4.05Å; I35-I52 HydrophobicContact CG2-CD1 4.16Å; I35-A74 HydrophobicContact CB-CB 4.3Å; I35-A74 HydrophobicContact CG2-CB 3.86Å; I35-A74 WeakPolarHBondContact O-CB 3.47Å; I35-A74 PolarHBondContact O-N 3.34Å
36M97.3Very high97.7Very high0 Ų039.6 Ų39.60%018%0.184CC..EExtended strand (participates in β ladder)trans-97.3143-173.7174.4-175.281.300110.8F28 N30 R34 P38 I52 L53 F71 R72 L80 V103F28-M36 HydrophobicContact CB-CE 4.45Å; N30-M36 HydrophobicContact CB-CB 4.46Å; N30-M36 HydrophobicContact CB-CE 4.18Å; N30-M36 HydrophobicContact CB-SD 4.37Å; R34-M36 PolarHBondContact O-N 3.45Å; M36-P38 HydrophobicContact CE-CG 4.16Å; M36-I52 CarbonylContact O-C 3.57Å; M36-I52 WeakPolarHBondContact O-CA 3.46Å; M36-L53 HydrophobicContact CE-CB 3.79Å; M36-L53 HydrophobicContact CE-CD2 3.48Å; M36-L53 VanDerWaalsContact CE-CD2 3.48Å; M36-L53 HydrophobicContact CE-CG 4.21Å; M36-L53 PolarHBondContact N-O 2.94Å; M36-L53 PolarHBondContact O-N 3.31Å; M36-F71 HydrophobicContact CE-CD1 3.89Å; M36-F71 HydrophobicContact CE-CE1 4.28Å; M36-F71 HydrophobicContact CG-CB 4.22Å; M36-F71 HydrophobicContact CG-CD1 4.27Å; M36-F71 HydrophobicContact SD-CB 4.01Å; M36-F71 HydrophobicContact SD-CD1 3.52Å; M36-F71 VanDerWaalsContact SD-CD1 3.52Å; M36-F71 HydrophobicContact SD-CE1 4.37Å; M36-F71 HydrophobicContact SD-CG 4.09Å; M36-R72 CarbonylContact C-O 3.51Å; M36-R72 WeakPolarHBondContact CA-O 3.4Å; M36-L80 HydrophobicContact CB-CD1 3.93Å; M36-L80 HydrophobicContact CG-CD1 3.76Å; M36-L80 HydrophobicContact SD-CD1 4.37Å; M36-V103 HydrophobicContact CE-CG2 4.36Å; M36-V103 HydrophobicContact CG-CG1 4.49Å; M36-V103 HydrophobicContact SD-CB 3.47Å; M36-V103 WeakPolarHBondContact SD-CB 3.37Å; M36-V103 HydrophobicContact SD-CG1 3.37Å; M36-V103 WeakPolarHBondContact SD-CG1 3.46Å; M36-V103 HydrophobicContact SD-CG2 3.63Å
37R98.3Very high97.8Very high77 Ų7741.1 Ų41.129%0.29119%0.193SC..EExtended strand (participates in β ladder)trans-119116.7167-174.4170.3-72.1142.93.3110.2L49 Y50 I52 R72 A74R37-L49 HydrophobicContact CG-CD2 4.43Å; R37-Y50 WeakPolarHBondContact CG-O 3.34Å; R37-I52 HydrophobicContact CB-CG2 4.5Å; R37-R72 PolarHBondContact N-O 2.76Å; R37-R72 PolarHBondContact O-N 3.33Å; R37-A74 HydrophobicContact CB-CB 4.07Å; R37-A74 PolarHBondContact NH1-O 2.77Å; R37-A74 VanDerWaalsContact NH1-O 3.14Å
38P98.5Very high97.8Very high0 Ų042.7 Ų42.70%020%0.198CC..EExtended strand (participates in β ladder)trans-68.6144.1167.9-1530.1000110.7F28 M36 Y50 D51 M59 W69 F71F28-P38 HydrophobicContact CD2-CB 4.15Å; F28-P38 HydrophobicContact CD2-CG 4.07Å; F28-P38 HydrophobicContact CE2-CB 4.11Å; F28-P38 HydrophobicContact CE2-CG 4.5Å; M36-P38 HydrophobicContact CE-CG 4.16Å; P38-Y50 PolarHBondContact O-N 2.95Å; P38-D51 VanDerWaalsContact CD-O 3.22Å; P38-D51 WeakPolarHBondContact CD-O 3.22Å; P38-M59 HydrophobicContact CB-CE 4.47Å; P38-M59 HydrophobicContact CG-CE 3.63Å; P38-W69 HydrophobicContact CB-CE3 4.15Å; P38-W69 HydrophobicContact CB-CZ3 4.06Å; P38-F71 HydrophobicContact CB-CD1 4.03Å; P38-F71 HydrophobicContact CB-CE1 3.97Å; P38-F71 HydrophobicContact CG-CD1 4.26Å; P38-F71 HydrophobicContact CG-CE1 4.27Å
39V98.7Very high97.8Very high1 Ų147.9 Ų47.91%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-132.2116.3-179.8-172.80000108.9I41 P47 Q48 L49 W69 M70 R72 V146V39-I41 HydrophobicContact CG1-CD1 4.24Å; V39-P47 HydrophobicContact CG1-CB 3.45Å; V39-P47 VanDerWaalsContact CG1-CB 3.45Å; V39-Q48 CarbonylContact C-O 3.45Å; V39-Q48 WeakPolarHBondContact CA-O 3.5Å; V39-L49 HydrophobicContact CG1-CD2 4.18Å; V39-L49 HydrophobicContact CG2-CD2 3.75Å; V39-W69 WeakPolarHBondContact O-CA 3.18Å; V39-M70 HydrophobicContact CB-CB 4.32Å; V39-M70 PolarHBondContact N-O 2.83Å; V39-M70 PolarHBondContact O-N 2.99Å; V39-R72 HydrophobicContact CG2-CG 3.81Å; V39-V146 HydrophobicContact CG1-CG2 4.19Å
40W98.7Very high97.8Very high39 Ų3951 Ų5115%0.14824%0.235CC..EExtended strand (participates in β ladder)trans-90.2133.4175.1172.648.1000110.1S17 N42 F43 P47 Q48 Y50 H67 W69S17-W40 PolarHBondContact OG-NE1 3.45Å; W40-N42 HydrophobicContact CE3-CB 4.21Å; W40-N42 HydrophobicContact CH2-CB 3.91Å; W40-N42 HydrophobicContact CZ2-CB 4.22Å; W40-N42 HydrophobicContact CZ3-CB 3.9Å; W40-F43 HydrophobicContact CH2-CD2 4.25Å; W40-F43 AromaticContact CH2-CE2 3.92Å; W40-F43 HydrophobicContact CH2-CE2 3.92Å; W40-F43 HydrophobicContact CH2-CZ 4.49Å; W40-F43 HydrophobicContact CZ2-CD2 4.4Å; W40-F43 HydrophobicContact CZ2-CE2 4Å; W40-F43 HydrophobicContact CZ2-CZ 4.16Å; W40-P47 CarbonylContact O-C 3.59Å; W40-Q48 HydrophobicContact CB-CB 4.37Å; W40-Q48 HydrophobicContact CE3-CB 3.89Å; W40-Q48 HydrophobicContact CE3-CG 3.82Å; W40-Q48 HydrophobicContact CZ3-CG 4.21Å; W40-Q48 PolarHBondContact N-O 3Å; W40-Q48 PolarHBondContact O-N 3.21Å; W40-Y50 HydrophobicContact CB-CD2 4.17Å; W40-Y50 HydrophobicContact CB-CE2 3.61Å; W40-Y50 HydrophobicContact CE3-CE2 4.33Å; W40-Y50 HydrophobicContact CG-CE2 4.41Å; W40-H67 AromaticContact CE2-ND1 3.86Å; W40-H67 AromaticContact CZ2-CE1 3.84Å; W40-H67 AromaticContact NE1-CG 3.54Å; W40-H67 AromaticContact NE1-ND1 3.39Å; W40-H67 PolarHBondContact NE1-ND1 3.08Å; W40-W69 HydrophobicContact CB-CD2 4.2Å; W40-W69 HydrophobicContact CB-CE3 3.91Å; W40-W69 HydrophobicContact CB-CH2 3.76Å; W40-W69 HydrophobicContact CB-CZ2 4.01Å; W40-W69 HydrophobicContact CB-CZ3 3.69Å; W40-W69 HydrophobicContact CG-CH2 4.37Å; W40-W69 HydrophobicContact CG-CZ2 4.19Å
41I98.5Very high97.8Very high0 Ų057 Ų570%027%0.267CS..EExtended strand (participates in β ladder)trans-91.9107.8175.7-48.6-48.9000108.4S17 V39 P47 P68 M70 L150S17-I41 WeakPolarHBondContact CB-O 3.47Å; S17-I41 PolarHBondContact N-O 2.93Å; S17-I41 PolarHBondContact OG-O 3.25Å; V39-I41 HydrophobicContact CG1-CD1 4.24Å; I41-P47 HydrophobicContact CD1-CB 4.22Å; I41-P68 HydrophobicContact CB-CB 4.15Å; I41-P68 HydrophobicContact CB-CG 4.37Å; I41-P68 HydrophobicContact CG1-CB 4.09Å; I41-P68 PolarHBondContact N-O 3.24Å; I41-M70 HydrophobicContact CD1-SD 4.24Å; I41-L150 HydrophobicContact CD1-CD1 3.66Å; I41-L150 HydrophobicContact CD1-CD2 3.65Å; I41-L150 HydrophobicContact CD1-CG 4.18Å; I41-L150 HydrophobicContact CG1-CD2 3.77Å; I41-L150 HydrophobicContact CG2-CD2 4.34Å
42N97.9Very high97.7Very high13 Ų1354 Ų547%0.0726%0.261CS..  trans-68.8-176.7-171.47612.2000113R16 S17 W40 R44 G45 E46 Q48R16-N42 WeakPolarHBondContact CB-O 3.38Å; S17-N42 PolarHBondContact N-O 3.41Å; W40-N42 HydrophobicContact CE3-CB 4.21Å; W40-N42 HydrophobicContact CH2-CB 3.91Å; W40-N42 HydrophobicContact CZ2-CB 4.22Å; W40-N42 HydrophobicContact CZ3-CB 3.9Å; N42-R44 PolarHBondContact O-N 3.34Å; N42-R44 WeakPolarHBondContact OD1-CA 3.39Å; N42-R44 PolarHBondContact OD1-N 3.4Å; N42-G45 PolarHBondContact O-N 3.36Å; N42-G45 PolarHBondContact OD1-N 3.1Å; N42-G45 VanDerWaalsContact OD1-N 3.17Å; N42-E46 PolarHBondContact N-O 3.29Å; N42-E46 PolarHBondContact ND2-OE2 3.13Å; N42-E46 PolarHBondContact OD1-N 2.62Å; N42-E46 PolarHBondContact OD1-O 3.27Å; N42-Q48 HydrophobicContact CB-CG 3.78Å; N42-Q48 PolarHBondContact ND2-NE2 3.36Å; N42-Q48 VanDerWaalsContact ND2-NE2 3.15Å
43F97.1Very high97.7Very high74 Ų7454.5 Ų54.533%0.32526%0.263SS..THydrogen-bonded Turntrans-64.9-15.8-178.9-56.6-69.1000114.5R16 S17 K19 W40 H67R16-F43 WeakPolarHBondContact CD-O 3.35Å; S17-F43 WeakPolarHBondContact O-CD1 3.39Å; K19-F43 HydrophobicContact CB-CE1 4.43Å; K19-F43 HydrophobicContact CG-CD1 3.78Å; K19-F43 HydrophobicContact CG-CE1 3.55Å; K19-F43 HydrophobicContact CG-CZ 4.09Å; W40-F43 HydrophobicContact CH2-CD2 4.25Å; W40-F43 AromaticContact CH2-CE2 3.92Å; W40-F43 HydrophobicContact CH2-CE2 3.92Å; W40-F43 HydrophobicContact CH2-CZ 4.49Å; W40-F43 HydrophobicContact CZ2-CD2 4.4Å; W40-F43 HydrophobicContact CZ2-CE2 4Å; W40-F43 HydrophobicContact CZ2-CZ 4.16Å; F43-H67 AromaticContact CE1-NE2 3.67Å; F43-H67 AromaticContact CZ-NE2 3.67Å
44R96.3Very high97.8Very high144 Ų14454.3 Ų54.354%0.54325%0.254SS..THydrogen-bonded Turntrans-98.72.2173.6-67-167.3-61.6-90-5.4113.2P13 N42 E46P13-R44 WeakPolarHBondContact CD-O 3.28Å; P13-R44 WeakPolarHBondContact CG-O 3.49Å; N42-R44 PolarHBondContact O-N 3.34Å; N42-R44 WeakPolarHBondContact OD1-CA 3.39Å; N42-R44 PolarHBondContact OD1-N 3.4Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 HydrophobicContact CB-CG 4.14Å; R44-E46 IonicContact CZ-OE1 3.39Å; R44-E46 IonicContact CZ-OE2 3.28Å; R44-E46 IonicContact NE-OE1 3.78Å; R44-E46 PolarHBondContact NE-OE1 3.36Å; R44-E46 IonicContact NE-OE2 3.73Å; R44-E46 PolarHBondContact NE-OE2 3.14Å; R44-E46 IonicContact NH2-OE1 3.8Å; R44-E46 PolarHBondContact NH2-OE1 3.01Å; R44-E46 IonicContact NH2-OE2 2.7Å; R44-E46 PolarHBondContact NH2-OE2 3.27Å
45G96.1Very high97.9Very high15 Ų1554.7 Ų54.716%0.15526%0.263CS..SBendtrans83.27.4-17600000114.1N42N42-G45 PolarHBondContact O-N 3.36Å; N42-G45 PolarHBondContact OD1-N 3.1Å; N42-G45 VanDerWaalsContact OD1-N 3.17Å
46E97.4Very high97.8Very high76 Ų7655.8 Ų55.836%0.35529%0.285SS..  trans-88.8135-177.4-54158.417500110.6N42 R44 Q48N42-E46 PolarHBondContact N-O 3.29Å; N42-E46 PolarHBondContact ND2-OE2 3.13Å; N42-E46 PolarHBondContact OD1-N 2.62Å; N42-E46 PolarHBondContact OD1-O 3.27Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 HydrophobicContact CB-CG 4.14Å; R44-E46 IonicContact CZ-OE1 3.39Å; R44-E46 IonicContact CZ-OE2 3.28Å; R44-E46 IonicContact NE-OE1 3.78Å; R44-E46 PolarHBondContact NE-OE1 3.36Å; R44-E46 IonicContact NE-OE2 3.73Å; R44-E46 PolarHBondContact NE-OE2 3.14Å; R44-E46 IonicContact NH2-OE1 3.8Å; R44-E46 PolarHBondContact NH2-OE1 3.01Å; R44-E46 IonicContact NH2-OE2 2.7Å; R44-E46 PolarHBondContact NH2-OE2 3.27Å; E46-Q48 PolarHBondContact O-N 3.36Å
47P98.1Very high97.9Very high32 Ų3262.1 Ų62.121%0.20831%0.312CS..EExtended strand (participates in β ladder)trans-69.5127.5177.728.1-33.5000111.7V39 W40 I41 V146 L147 L150V39-P47 HydrophobicContact CG1-CB 3.45Å; V39-P47 VanDerWaalsContact CG1-CB 3.45Å; W40-P47 CarbonylContact O-C 3.59Å; I41-P47 HydrophobicContact CD1-CB 4.22Å; P47-V146 HydrophobicContact CB-CG1 4.05Å; P47-V146 HydrophobicContact CB-CG2 4.24Å; P47-V146 HydrophobicContact CG-CG1 4.01Å; P47-L147 HydrophobicContact CG-CD2 3.69Å; P47-L147 HydrophobicContact CG-CG 4.46Å; P47-L150 HydrophobicContact CB-CD1 4.31Å; P47-L150 HydrophobicContact CG-CD1 4.38Å
48Q98.5Very high97.8Very high72 Ų7260.9 Ų60.934%0.33632%0.324SS..EExtended strand (participates in β ladder)trans-113.5119.9176.4-56.5-58-54.700109.3V39 W40 N42 E46V39-Q48 CarbonylContact C-O 3.45Å; V39-Q48 WeakPolarHBondContact CA-O 3.5Å; W40-Q48 HydrophobicContact CB-CB 4.37Å; W40-Q48 HydrophobicContact CE3-CB 3.89Å; W40-Q48 HydrophobicContact CE3-CG 3.82Å; W40-Q48 HydrophobicContact CZ3-CG 4.21Å; W40-Q48 PolarHBondContact N-O 3Å; W40-Q48 PolarHBondContact O-N 3.21Å; N42-Q48 HydrophobicContact CB-CG 3.78Å; N42-Q48 PolarHBondContact ND2-NE2 3.36Å; N42-Q48 VanDerWaalsContact ND2-NE2 3.15Å; E46-Q48 PolarHBondContact O-N 3.36Å
49L98Very high97.7Very high109 Ų10962.6 Ų62.657%0.57133%0.332SS*.EExtended strand (participates in β ladder)trans-79.7137.1-176.8-58.9-174.2000110.9R37 V39R37-L49 HydrophobicContact CG-CD2 4.43Å; V39-L49 HydrophobicContact CG1-CD2 4.18Å; V39-L49 HydrophobicContact CG2-CD2 3.75Å
50Y98Very high97.6Very high84 Ų8471 Ų7133%0.32937%0.369SS..  trans-111.3173.6172.4-83.2-107.6000111.2R37 P38 W40 M61 W69R37-Y50 WeakPolarHBondContact CG-O 3.34Å; P38-Y50 PolarHBondContact O-N 2.95Å; W40-Y50 HydrophobicContact CB-CD2 4.17Å; W40-Y50 HydrophobicContact CB-CE2 3.61Å; W40-Y50 HydrophobicContact CE3-CE2 4.33Å; W40-Y50 HydrophobicContact CG-CE2 4.41Å; Y50-M61 HydrophobicContact CD1-CE 3.59Å; Y50-M61 HydrophobicContact CD1-SD 4.43Å; Y50-M61 HydrophobicContact CE1-CE 3.84Å; Y50-M61 HydrophobicContact CE1-SD 4.07Å; Y50-M61 HydrophobicContact CG-CE 4.44Å; Y50-W69 HydrophobicContact CD1-CH2 4.09Å; Y50-W69 HydrophobicContact CD1-CZ3 4.38Å; Y50-W69 AromaticContact CD2-CH2 3.75Å; Y50-W69 HydrophobicContact CD2-CH2 3.75Å; Y50-W69 AromaticContact CD2-CZ3 3.59Å; Y50-W69 HydrophobicContact CD2-CZ3 3.59Å; Y50-W69 AromaticContact CE1-CH2 3.83Å; Y50-W69 HydrophobicContact CE1-CH2 3.83Å; Y50-W69 AromaticContact CE2-CH2 3.51Å; Y50-W69 HydrophobicContact CE2-CH2 3.51Å; Y50-W69 AromaticContact CE2-CZ3 3.81Å; Y50-W69 HydrophobicContact CE2-CZ3 3.81Å; Y50-W69 HydrophobicContact CG-CH2 4.03Å; Y50-W69 AromaticContact CG-CZ3 3.91Å; Y50-W69 HydrophobicContact CG-CZ3 3.91Å; Y50-W69 AromaticContact CZ-CH2 3.54Å
51D97.4Very high97.5Very high129 Ų12970 Ų7069%0.6937%0.366SS*.  trans-54.1142.6179.8-69.5-31.9000112.8P38P38-D51 VanDerWaalsContact CD-O 3.22Å; P38-D51 WeakPolarHBondContact CD-O 3.22Å
52I97.8Very high97.4Very high82 Ų8276.1 Ų76.142%0.42140%0.398SS..  trans-70145.2178.662.5172.2000110.7I35 M36 R37 A74I35-I52 HydrophobicContact CG2-CB 4.05Å; I35-I52 HydrophobicContact CG2-CD1 4.16Å; M36-I52 CarbonylContact O-C 3.57Å; M36-I52 WeakPolarHBondContact O-CA 3.46Å; R37-I52 HydrophobicContact CB-CG2 4.5Å; I52-A74 HydrophobicContact CG2-CB 3.94Å
53L97.6Very high97.3Very high14 Ų1475.7 Ų75.77%0.07340%0.396CS..BIsolated β-bridgetrans-120.6117.9178.4-164.460.2000110.1F28 N30 M36 K57 M59F28-L53 WeakPolarHBondContact O-CD2 3.37Å; N30-L53 HydrophobicContact CB-CD2 3.98Å; N30-L53 HydrophobicContact CB-CG 4.11Å; N30-L53 PolarHBondContact ND2-O 2.7Å; M36-L53 HydrophobicContact CE-CB 3.79Å; M36-L53 HydrophobicContact CE-CD2 3.48Å; M36-L53 VanDerWaalsContact CE-CD2 3.48Å; M36-L53 HydrophobicContact CE-CG 4.21Å; M36-L53 PolarHBondContact N-O 2.94Å; M36-L53 PolarHBondContact O-N 3.31Å; L53-K57 HydrophobicContact CD1-CB 3.63Å; L53-K57 WeakPolarHBondContact CD2-O 3.41Å; L53-K57 HydrophobicContact CG-CB 4.03Å; L53-M59 HydrophobicContact CD1-CB 4.02Å; L53-M59 HydrophobicContact CD2-CB 4.03Å
54Q98.3Very high97.3Very high90 Ų9076.3 Ų76.342%0.42140%0.399SS..  trans-64.4155.1178.5-65.7-63.6-25.900111.8N30 G56 K57N30-Q54 PolarHBondContact ND2-O 2.64Å; Q54-G56 PolarHBondContact O-N 3.02Å; Q54-K57 HydrophobicContact CB-CG 3.9Å; Q54-K57 WeakPolarHBondContact O-CB 3.33Å; Q54-K57 PolarHBondContact O-N 3.12Å; Q54-K57 VanDerWaalsContact O-N 3.1Å
55P98.4Very high97.3Very high52 Ų5270.8 Ų70.834%0.33838%0.381SS..THydrogen-bonded Turntrans-48.7134.7173.5-2935.7000112.7S32 K57S32-P55 WeakPolarHBondContact O-CB 3.41Å; P55-K57 PolarHBondContact O-N 3.47Å
56G97.6Very high97.3Very high68 Ų6871.1 Ų71.170%0.70139%0.385SS*.THydrogen-bonded Turntrans74.1-0.8179.300000115.4N30 Q54N30-G56 WeakPolarHBondContact O-CA 3.42Å; N30-G56 PolarHBondContact O-N 3.39Å; Q54-G56 PolarHBondContact O-N 3.02Å
57K98Very high97.3Very high134 Ų13468.2 Ų68.258%0.58337%0.371SS*.  trans-91.9158.5178.9-60.5-58.6-175.1179.70112.4N30 L53 Q54 P55N30-K57 PolarHBondContact N-O 2.9Å; L53-K57 HydrophobicContact CD1-CB 3.63Å; L53-K57 WeakPolarHBondContact CD2-O 3.41Å; L53-K57 HydrophobicContact CG-CB 4.03Å; Q54-K57 HydrophobicContact CB-CG 3.9Å; Q54-K57 WeakPolarHBondContact O-CB 3.33Å; Q54-K57 PolarHBondContact O-N 3.12Å; Q54-K57 VanDerWaalsContact O-N 3.1Å; P55-K57 PolarHBondContact O-N 3.47Å
58G96.8Very high97.3Very high51 Ų5167 Ų6753%0.52636%0.363SS..EExtended strand (participates in β ladder)trans-118.6148176.300000111.7F28F28-G58 CarbonylContact O-C 3.59Å; F28-G58 WeakPolarHBondContact O-CA 3.48Å
59M96.4Very high97.3Very high35 Ų3563.7 Ų63.717%0.17235%0.348CS..EExtended strand (participates in β ladder)trans-130.3125.1174.3-175.2173.16600109.8V27 F28 P38 L53 M61V27-M59 CarbonylContact C-O 3.48Å; V27-M59 WeakPolarHBondContact CA-O 3.25Å; F28-M59 HydrophobicContact CD2-CE 3.75Å; F28-M59 HydrophobicContact CE2-CE 4.35Å; F28-M59 PolarHBondContact N-O 3.08Å; F28-M59 PolarHBondContact O-N 3.29Å; P38-M59 HydrophobicContact CB-CE 4.47Å; P38-M59 HydrophobicContact CG-CE 3.63Å; L53-M59 HydrophobicContact CD1-CB 4.02Å; L53-M59 HydrophobicContact CD2-CB 4.03Å; M59-M61 HydrophobicContact CE-CE 3.54Å; M59-M61 HydrophobicContact SD-CE 4.29Å
60K96.6Very high97.3Very high179 Ų17958.9 Ų58.978%0.77832%0.322SS*.EExtended strand (participates in β ladder)trans-73.9135.3169.9-69-177.4179.5179.50108.7V27V27-K60 HydrophobicContact CG2-CG 4.38Å
61M97Very high97.3Very high17 Ų1755 Ų558%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-131.8123.4-179.4-175.153.662.100109.8A26 F28 Y50 M59 W69A26-M61 PolarHBondContact N-O 3.29Å; A26-M61 PolarHBondContact O-N 3.45Å; F28-M61 HydrophobicContact CD2-CB 4.18Å; F28-M61 HydrophobicContact CE1-CB 4.26Å; F28-M61 HydrophobicContact CE2-CB 3.77Å; F28-M61 HydrophobicContact CE2-CE 4.2Å; F28-M61 HydrophobicContact CE2-CG 3.71Å; F28-M61 HydrophobicContact CZ-CB 3.83Å; F28-M61 HydrophobicContact CZ-CG 3.71Å; Y50-M61 HydrophobicContact CD1-CE 3.59Å; Y50-M61 HydrophobicContact CD1-SD 4.43Å; Y50-M61 HydrophobicContact CE1-CE 3.84Å; Y50-M61 HydrophobicContact CE1-SD 4.07Å; Y50-M61 HydrophobicContact CG-CE 4.44Å; M59-M61 HydrophobicContact CE-CE 3.54Å; M59-M61 HydrophobicContact SD-CE 4.29Å; M61-W69 HydrophobicContact CE-CH2 4.01Å; M61-W69 HydrophobicContact CG-CH2 4.02Å; M61-W69 HydrophobicContact CG-CZ2 3.83Å; M61-W69 HydrophobicContact SD-CH2 3.78Å; M61-W69 HydrophobicContact SD-CZ2 3.98Å
62N95.7Very high97.4Very high128 Ų12848.9 Ų48.968%0.68427%0.274SS*.EExtended strand (participates in β ladder)trans-93.1117.7169.3-61.8-17000107.3N25N25-N62 PolarHBondContact OD1-OD1 2.89Å; N25-N62 VanDerWaalsContact OD1-OD1 3.1Å
63T96.3Very high97.4Very high5 Ų545.3 Ų45.33%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-138-173-176.7-176.20000109.4S24 H67 W69 P90S24-T63 PolarHBondContact N-O 3.17Å; S24-T63 CarbonylContact O-C 3.58Å; S24-T63 WeakPolarHBondContact O-CG2 3.42Å; S24-T63 PolarHBondContact O-N 3.13Å; T63-H67 WeakPolarHBondContact OG1-CB 3.38Å; T63-H67 PolarHBondContact OG1-ND1 2.58Å; T63-W69 PolarHBondContact OG1-NE1 2.83Å; T63-P90 HydrophobicContact CG2-CB 3.86Å; T63-P90 HydrophobicContact CG2-CG 3.48Å; T63-P90 VanDerWaalsContact CG2-CG 3.48Å
64F96.8Very high97.4Very high86 Ų8645.5 Ų45.538%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-125.9155.8177.4-60.2-94.7000111.3I22 P23 G66 H67 P90I22-F64 CarbonylContact O-C 3.41Å; I22-F64 VanDerWaalsContact O-CA 3.29Å; I22-F64 WeakPolarHBondContact O-CA 3.4Å; P23-F64 HydrophobicContact CB-CE1 4.44Å; F64-G66 PolarHBondContact O-N 2.98Å; F64-H67 AromaticContact CD2-CE1 3.49Å; F64-H67 VanDerWaalsContact CD2-CE1 3.49Å; F64-H67 WeakPolarHBondContact CD2-CE1 3.24Å; F64-H67 WeakPolarHBondContact O-CB 3.42Å; F64-H67 PolarHBondContact O-N 3Å; F64-P90 WeakPolarHBondContact O-CG 3.38Å
65V96.6Very high97.3Very high29 Ų2948.6 Ų48.618%0.17627%0.274CS..THydrogen-bonded Turntrans-58.4135.5171.4177.10000109.2S20 I22 P92S20-V65 VanDerWaalsContact CB-O 3.23Å; S20-V65 WeakPolarHBondContact CB-O 3.37Å; S20-V65 PolarHBondContact OG-O 3.18Å; I22-V65 HydrophobicContact CB-CB 4.12Å; I22-V65 HydrophobicContact CB-CG2 3.95Å; I22-V65 HydrophobicContact CG2-CB 4.41Å; I22-V65 HydrophobicContact CG2-CG2 3.71Å; I22-V65 PolarHBondContact O-N 3.49Å; V65-P92 HydrophobicContact CG2-CB 4.44Å; V65-P92 HydrophobicContact CG2-CG 4.01Å
66G95.4Very high97.2Very high22 Ų2248.9 Ų48.923%0.22728%0.275CS..THydrogen-bonded Turntrans82.311.3-176.700000114.9S17 L18 F64 P68S17-G66 WeakPolarHBondContact CA-O 3.49Å; L18-G66 PolarHBondContact N-O 3.41Å; F64-G66 PolarHBondContact O-N 2.98Å; G66-P68 WeakPolarHBondContact O-CD 3.2Å
67H97.9Very high97.2Very high14 Ų1447.5 Ų47.57%0.06525%0.252CS..  trans-92.8111.2169-74.5-159.5000111.4S17 W40 F43 T63 F64 P90S17-H67 WeakPolarHBondContact OG-CA 3.3Å; W40-H67 AromaticContact CE2-ND1 3.86Å; W40-H67 AromaticContact CZ2-CE1 3.84Å; W40-H67 AromaticContact NE1-CG 3.54Å; W40-H67 AromaticContact NE1-ND1 3.39Å; W40-H67 PolarHBondContact NE1-ND1 3.08Å; F43-H67 AromaticContact CE1-NE2 3.67Å; F43-H67 AromaticContact CZ-NE2 3.67Å; T63-H67 WeakPolarHBondContact OG1-CB 3.38Å; T63-H67 PolarHBondContact OG1-ND1 2.58Å; F64-H67 AromaticContact CD2-CE1 3.49Å; F64-H67 VanDerWaalsContact CD2-CE1 3.49Å; F64-H67 WeakPolarHBondContact CD2-CE1 3.24Å; F64-H67 WeakPolarHBondContact O-CB 3.42Å; F64-H67 PolarHBondContact O-N 3Å; H67-P90 HydrophobicContact CB-CG 4.49Å; H67-P90 WeakPolarHBondContact O-CD 3.37Å
68P98.1Very high97.2Very high7 Ų741.9 Ų41.95%0.04523%0.228CC..  trans-74.2135.3176.6-13.829.5000112.4S17 I41 G66 M87 L89S17-P68 WeakPolarHBondContact OG-CD 3.37Å; I41-P68 HydrophobicContact CB-CB 4.15Å; I41-P68 HydrophobicContact CB-CG 4.37Å; I41-P68 HydrophobicContact CG1-CB 4.09Å; I41-P68 PolarHBondContact N-O 3.24Å; G66-P68 WeakPolarHBondContact O-CD 3.2Å; P68-M87 HydrophobicContact CB-SD 4.14Å; P68-L89 HydrophobicContact CB-CD2 3.91Å; P68-L89 HydrophobicContact CG-CD2 4.05Å
69W98.6Very high97.3Very high2 Ų241.6 Ų41.61%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-123131.2175.5-70.989.6000111.1F28 P38 V39 W40 Y50 M61 T63 F71 M87 F88F28-W69 HydrophobicContact CE2-CD2 4.13Å; F28-W69 AromaticContact CE2-CE3 3.84Å; F28-W69 HydrophobicContact CE2-CE3 3.84Å; F28-W69 HydrophobicContact CE2-CH2 4.36Å; F28-W69 AromaticContact CE2-CZ3 3.96Å; F28-W69 HydrophobicContact CE2-CZ3 3.96Å; F28-W69 AromaticContact CZ-CD2 3.76Å; F28-W69 HydrophobicContact CZ-CD2 3.76Å; F28-W69 AromaticContact CZ-CE3 3.97Å; F28-W69 HydrophobicContact CZ-CE3 3.97Å; F28-W69 HydrophobicContact CZ-CG 4.03Å; F28-W69 HydrophobicContact CZ-CZ3 4.4Å; P38-W69 HydrophobicContact CB-CE3 4.15Å; P38-W69 HydrophobicContact CB-CZ3 4.06Å; V39-W69 WeakPolarHBondContact O-CA 3.18Å; W40-W69 HydrophobicContact CB-CD2 4.2Å; W40-W69 HydrophobicContact CB-CE3 3.91Å; W40-W69 HydrophobicContact CB-CH2 3.76Å; W40-W69 HydrophobicContact CB-CZ2 4.01Å; W40-W69 HydrophobicContact CB-CZ3 3.69Å; W40-W69 HydrophobicContact CG-CH2 4.37Å; W40-W69 HydrophobicContact CG-CZ2 4.19Å; Y50-W69 HydrophobicContact CD1-CH2 4.09Å; Y50-W69 HydrophobicContact CD1-CZ3 4.38Å; Y50-W69 AromaticContact CD2-CH2 3.75Å; Y50-W69 HydrophobicContact CD2-CH2 3.75Å; Y50-W69 AromaticContact CD2-CZ3 3.59Å; Y50-W69 HydrophobicContact CD2-CZ3 3.59Å; Y50-W69 AromaticContact CE1-CH2 3.83Å; Y50-W69 HydrophobicContact CE1-CH2 3.83Å; Y50-W69 AromaticContact CE2-CH2 3.51Å; Y50-W69 HydrophobicContact CE2-CH2 3.51Å; Y50-W69 AromaticContact CE2-CZ3 3.81Å; Y50-W69 HydrophobicContact CE2-CZ3 3.81Å; Y50-W69 HydrophobicContact CG-CH2 4.03Å; Y50-W69 AromaticContact CG-CZ3 3.91Å; Y50-W69 HydrophobicContact CG-CZ3 3.91Å; Y50-W69 AromaticContact CZ-CH2 3.54Å; M61-W69 HydrophobicContact CE-CH2 4.01Å; M61-W69 HydrophobicContact CG-CH2 4.02Å; M61-W69 HydrophobicContact CG-CZ2 3.83Å; M61-W69 HydrophobicContact SD-CH2 3.78Å; M61-W69 HydrophobicContact SD-CZ2 3.98Å; T63-W69 PolarHBondContact OG1-NE1 2.83Å; W69-F71 HydrophobicContact CB-CE2 4.3Å; W69-F71 HydrophobicContact CB-CZ 4.35Å; W69-M87 CarbonylContact O-C 3.54Å; W69-M87 VanDerWaalsContact O-CA 3.26Å; W69-M87 WeakPolarHBondContact O-CA 3.26Å; W69-F88 HydrophobicContact CB-CB 4.2Å; W69-F88 HydrophobicContact CB-CD1 4.2Å; W69-F88 HydrophobicContact CG-CD1 4.35Å; W69-F88 PolarHBondContact N-O 2.96Å; W69-F88 PolarHBondContact O-N 2.69Å
70M98.6Very high97.4Very high8 Ų840.1 Ų40.14%0.03921%0.213CC..EExtended strand (participates in β ladder)trans-112160.8169.7-66.3179.779.400109.8V39 I41 M87 V146 D149 L150 I153V39-M70 HydrophobicContact CB-CB 4.32Å; V39-M70 PolarHBondContact N-O 2.83Å; V39-M70 PolarHBondContact O-N 2.99Å; I41-M70 HydrophobicContact CD1-SD 4.24Å; M70-M87 HydrophobicContact CG-CG 3.81Å; M70-M87 HydrophobicContact CG-SD 4.28Å; M70-V146 HydrophobicContact CE-CG2 4.31Å; M70-V146 HydrophobicContact SD-CG2 3.89Å; M70-D149 HydrophobicContact CE-CB 3.87Å; M70-L150 HydrophobicContact SD-CD2 3.57Å; M70-L150 VanDerWaalsContact SD-CD2 3.57Å; M70-L150 HydrophobicContact SD-CG 3.87Å; M70-I153 HydrophobicContact CE-CD1 3.98Å; M70-I153 HydrophobicContact SD-CD1 4.42Å
71F98.6Very high97.4Very high2 Ų234.1 Ų34.11%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-133.6131.8178.1-58-90.1000109.5F28 M36 P38 W69 L80 A82 F88 V101 V103F28-F71 HydrophobicContact CB-CE1 4.12Å; F28-F71 HydrophobicContact CD1-CE1 4.05Å; F28-F71 AromaticContact CD1-CZ 3.8Å; F28-F71 HydrophobicContact CD1-CZ 3.8Å; F28-F71 AromaticContact CD2-CE1 3.64Å; F28-F71 HydrophobicContact CD2-CE1 3.64Å; F28-F71 HydrophobicContact CD2-CZ 4.11Å; F28-F71 HydrophobicContact CE1-CE1 4.35Å; F28-F71 AromaticContact CE1-CZ 3.83Å; F28-F71 HydrophobicContact CE1-CZ 3.83Å; F28-F71 AromaticContact CE2-CE1 3.97Å; F28-F71 HydrophobicContact CE2-CE1 3.97Å; F28-F71 HydrophobicContact CE2-CZ 4.14Å; F28-F71 AromaticContact CG-CE1 3.68Å; F28-F71 HydrophobicContact CG-CE1 3.68Å; F28-F71 AromaticContact CG-CZ 3.94Å; F28-F71 HydrophobicContact CG-CZ 3.94Å; F28-F71 HydrophobicContact CZ-CE1 4.31Å; F28-F71 AromaticContact CZ-CZ 4Å; F28-F71 HydrophobicContact CZ-CZ 4Å; M36-F71 HydrophobicContact CE-CD1 3.89Å; M36-F71 HydrophobicContact CE-CE1 4.28Å; M36-F71 HydrophobicContact CG-CB 4.22Å; M36-F71 HydrophobicContact CG-CD1 4.27Å; M36-F71 HydrophobicContact SD-CB 4.01Å; M36-F71 HydrophobicContact SD-CD1 3.52Å; M36-F71 VanDerWaalsContact SD-CD1 3.52Å; M36-F71 HydrophobicContact SD-CE1 4.37Å; M36-F71 HydrophobicContact SD-CG 4.09Å; P38-F71 HydrophobicContact CB-CD1 4.03Å; P38-F71 HydrophobicContact CB-CE1 3.97Å; P38-F71 HydrophobicContact CG-CD1 4.26Å; P38-F71 HydrophobicContact CG-CE1 4.27Å; W69-F71 HydrophobicContact CB-CE2 4.3Å; W69-F71 HydrophobicContact CB-CZ 4.35Å; F71-L80 HydrophobicContact CB-CB 4.08Å; F71-L80 WeakPolarHBondContact O-CB 3.26Å; F71-L80 PolarHBondContact O-N 2.73Å; F71-A82 HydrophobicContact CD2-CB 3.67Å; F71-A82 HydrophobicContact CE2-CB 3.51Å; F71-F88 HydrophobicContact CE2-CB 3.98Å; F71-V101 HydrophobicContact CE2-CG1 4.08Å; F71-V101 HydrophobicContact CZ-CG1 4.02Å; F71-V103 HydrophobicContact CB-CG1 3.68Å; F71-V103 HydrophobicContact CB-CG2 4.36Å; F71-V103 HydrophobicContact CD1-CG1 4.44Å; F71-V103 HydrophobicContact CD1-CG2 3.67Å; F71-V103 HydrophobicContact CD2-CG2 3.94Å; F71-V103 HydrophobicContact CE1-CG2 3.83Å; F71-V103 HydrophobicContact CE2-CG2 4.12Å; F71-V103 HydrophobicContact CG-CB 4.5Å; F71-V103 HydrophobicContact CG-CG1 3.98Å; F71-V103 HydrophobicContact CG-CG2 3.71Å; F71-V103 HydrophobicContact CZ-CG2 4.05Å
72R98.5Very high97.5Very high2 Ų233.4 Ų33.41%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-128.3152.1-172.1-50.8-63.2-79.1-174.2-9.3110.6M36 R37 V39 A74 D77 D78 A79 S145 V146 D149M36-R72 CarbonylContact C-O 3.51Å; M36-R72 WeakPolarHBondContact CA-O 3.4Å; R37-R72 PolarHBondContact N-O 2.76Å; R37-R72 PolarHBondContact O-N 3.33Å; V39-R72 HydrophobicContact CG2-CG 3.81Å; R72-A74 PolarHBondContact O-N 2.69Å; R72-D77 WeakPolarHBondContact CB-OD1 3.41Å; R72-D77 VanDerWaalsContact CG-OD1 3.24Å; R72-D77 WeakPolarHBondContact CG-OD1 3.33Å; R72-D77 IonicContact CZ-OD1 3.74Å; R72-D77 IonicContact CZ-OD2 2.85Å; R72-D77 VanDerWaalsContact NE-CG 3.29Å; R72-D77 PolarHBondContact NE-O 2.86Å; R72-D77 IonicContact NE-OD1 3.39Å; R72-D77 PolarHBondContact NE-OD1 3.44Å; R72-D77 IonicContact NE-OD2 2.65Å; R72-D77 PolarHBondContact NE-OD2 2.98Å; R72-D77 PolarHBondContact NH2-O 3.17Å; R72-D77 IonicContact NH2-OD1 3.38Å; R72-D77 IonicContact NH2-OD2 3.5Å; R72-D77 PolarHBondContact NH2-OD2 3.34Å; R72-D78 CarbonylContact C-O 3.53Å; R72-D78 WeakPolarHBondContact CA-O 3.24Å; R72-A79 VanDerWaalsContact NH1-CB 3.26Å; R72-S145 PolarHBondContact NH2-O 2.89Å; R72-V146 VanDerWaalsContact NH2-N 3.13Å; R72-D149 IonicContact CZ-OD2 2.72Å; R72-D149 IonicContact NH1-OD2 3.71Å; R72-D149 PolarHBondContact NH1-OD2 3.1Å; R72-D149 IonicContact NH2-OD2 3.6Å; R72-D149 PolarHBondContact NH2-OD2 3.41Å
73D98.2Very high97.5Very high7 Ų730.6 Ų30.64%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-61.7128.2158.1-175.1-62.3000108.2R34 E75 T76 D77 D78R34-D73 WeakPolarHBondContact CB-OD2 3.41Å; R34-D73 VanDerWaalsContact CD-OD2 3.28Å; R34-D73 WeakPolarHBondContact CD-OD2 3.19Å; R34-D73 WeakPolarHBondContact CG-OD2 3.49Å; R34-D73 IonicContact CZ-OD2 3.59Å; R34-D73 IonicContact NE-OD2 3.44Å; R34-D73 IonicContact NH1-OD2 2.75Å; R34-D73 PolarHBondContact NH1-OD2 3.15Å; D73-E75 PolarHBondContact O-N 3.24Å; D73-E75 PolarHBondContact OD1-N 2.82Å; D73-T76 WeakPolarHBondContact CB-OG1 3.37Å; D73-T76 VanDerWaalsContact CG-OG1 3.32Å; D73-T76 PolarHBondContact OD1-N 2.89Å; D73-T76 VanDerWaalsContact OD1-N 3.08Å; D73-T76 PolarHBondContact OD1-OG1 3.25Å; D73-D77 VanDerWaalsContact O-CA 3.25Å; D73-D77 WeakPolarHBondContact O-CA 3.32Å; D73-D77 PolarHBondContact O-N 2.77Å; D73-D78 HydrophobicContact CB-CB 3.99Å; D73-D78 PolarHBondContact N-O 2.8Å
74A97.6Very high97.5Very high17 Ų1735.3 Ų35.314%0.1420%0.202CC..THydrogen-bonded Turntrans-68.4-20.7-171.800000113.5I35 R37 I52 R72I35-A74 HydrophobicContact CB-CB 4.3Å; I35-A74 HydrophobicContact CG2-CB 3.86Å; I35-A74 WeakPolarHBondContact O-CB 3.47Å; I35-A74 PolarHBondContact O-N 3.34Å; R37-A74 HydrophobicContact CB-CB 4.07Å; R37-A74 PolarHBondContact NH1-O 2.77Å; R37-A74 VanDerWaalsContact NH1-O 3.14Å; I52-A74 HydrophobicContact CG2-CB 3.94Å; R72-A74 PolarHBondContact O-N 2.69Å
75E95.7Very high97.5Very high155 Ų15538.2 Ų38.272%0.72422%0.215SC*.THydrogen-bonded Turntrans-100.1-45.8-177.4-63.5-179.7178.900111.7D73D73-E75 PolarHBondContact O-N 3.24Å; D73-E75 PolarHBondContact OD1-N 2.82Å
76T96.9Very high97.4Very high58 Ų5840.1 Ų40.136%0.35622%0.222SC..THydrogen-bonded Turntrans-99.7-8.9-172.364.40000114.1D73 D78D73-T76 WeakPolarHBondContact CB-OG1 3.37Å; D73-T76 VanDerWaalsContact CG-OG1 3.32Å; D73-T76 PolarHBondContact OD1-N 2.89Å; D73-T76 VanDerWaalsContact OD1-N 3.08Å; D73-T76 PolarHBondContact OD1-OG1 3.25Å; T76-D78 WeakPolarHBondContact CB-OD2 3.23Å; T76-D78 PolarHBondContact O-N 2.97Å; T76-D78 WeakPolarHBondContact OG1-CB 3.37Å; T76-D78 PolarHBondContact OG1-N 3.39Å; T76-D78 PolarHBondContact OG1-OD2 3.49Å
77D97.8Very high97.4Very high40 Ų4041 Ų4121%0.21422%0.22CC..  trans56.323.2-168.8-161.245.8000112.8R72 D73 P144 S145 V146R72-D77 WeakPolarHBondContact CB-OD1 3.41Å; R72-D77 VanDerWaalsContact CG-OD1 3.24Å; R72-D77 WeakPolarHBondContact CG-OD1 3.33Å; R72-D77 IonicContact CZ-OD1 3.74Å; R72-D77 IonicContact CZ-OD2 2.85Å; R72-D77 VanDerWaalsContact NE-CG 3.29Å; R72-D77 PolarHBondContact NE-O 2.86Å; R72-D77 IonicContact NE-OD1 3.39Å; R72-D77 PolarHBondContact NE-OD1 3.44Å; R72-D77 IonicContact NE-OD2 2.65Å; R72-D77 PolarHBondContact NE-OD2 2.98Å; R72-D77 PolarHBondContact NH2-O 3.17Å; R72-D77 IonicContact NH2-OD1 3.38Å; R72-D77 IonicContact NH2-OD2 3.5Å; R72-D77 PolarHBondContact NH2-OD2 3.34Å; D73-D77 VanDerWaalsContact O-CA 3.25Å; D73-D77 WeakPolarHBondContact O-CA 3.32Å; D73-D77 PolarHBondContact O-N 2.77Å; D77-P144 VanDerWaalsContact O-CB 3.26Å; D77-P144 WeakPolarHBondContact O-CB 3.38Å; D77-S145 WeakPolarHBondContact OD2-CA 3.32Å; D77-S145 PolarHBondContact OD2-N 3.05Å; D77-V146 PolarHBondContact OD2-N 2.82Å
78D97.9Very high97.4Very high16 Ų1641 Ų419%0.08622%0.22CC..  trans-63.7138.7173.6-78.2-55.9000110.9R72 D73 T76 L80 Q116 P144R72-D78 CarbonylContact C-O 3.53Å; R72-D78 WeakPolarHBondContact CA-O 3.24Å; D73-D78 HydrophobicContact CB-CB 3.99Å; D73-D78 PolarHBondContact N-O 2.8Å; T76-D78 WeakPolarHBondContact CB-OD2 3.23Å; T76-D78 PolarHBondContact O-N 2.97Å; T76-D78 WeakPolarHBondContact OG1-CB 3.37Å; T76-D78 PolarHBondContact OG1-N 3.39Å; T76-D78 PolarHBondContact OG1-OD2 3.49Å; D78-L80 PolarHBondContact O-N 2.97Å; D78-Q116 PolarHBondContact OD1-NE2 2.83Å; D78-Q116 PolarHBondContact OD2-NE2 2.83Å; D78-P144 VanDerWaalsContact OD1-CG 3.23Å; D78-P144 WeakPolarHBondContact OD1-CG 3.37Å
79A97.8Very high97.4Very high44 Ų4445.3 Ų45.336%0.36424%0.242SC..EExtended strand (participates in β ladder)trans-67.3132.2179.800000112.5R72 P106R72-A79 VanDerWaalsContact NH1-CB 3.26Å; A79-P106 WeakPolarHBondContact O-CD 3.46Å; A79-P106 WeakPolarHBondContact O-CG 3.41Å
80L98.3Very high97.2Very high4 Ų445.4 Ų45.42%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-107158.7166.9-58.3173.8000110.2R34 M36 F71 D78 V103 L105R34-L80 HydrophobicContact CG-CD2 4.44Å; M36-L80 HydrophobicContact CB-CD1 3.93Å; M36-L80 HydrophobicContact CG-CD1 3.76Å; M36-L80 HydrophobicContact SD-CD1 4.37Å; F71-L80 HydrophobicContact CB-CB 4.08Å; F71-L80 WeakPolarHBondContact O-CB 3.26Å; F71-L80 PolarHBondContact O-N 2.73Å; D78-L80 PolarHBondContact O-N 2.97Å; L80-V103 HydrophobicContact CB-CG1 3.55Å; L80-V103 HydrophobicContact CD1-CG1 4Å; L80-V103 HydrophobicContact CG-CG1 4.4Å; L80-L105 HydrophobicContact CD2-CD2 3.8Å
81K98.3Very high97Very high53 Ų5351.9 Ų51.923%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-102.8133.1-179.9-66.2-73.7-174.6175.60110.6K85 E86 V103 T104 P106K81-K85 CarbonylContact C-O 3.54Å; K81-K85 VanDerWaalsContact CA-O 3.27Å; K81-K85 WeakPolarHBondContact CA-O 3.43Å; K81-K85 WeakPolarHBondContact CD-O 2.63Å; K81-E86 HydrophobicContact CD-CG 4.34Å; K81-E86 IonicContact NZ-OE1 2.58Å; K81-E86 PolarHBondContact NZ-OE1 2.93Å; K81-V103 CarbonylContact O-C 3.41Å; K81-V103 VanDerWaalsContact O-CA 3.23Å; K81-V103 WeakPolarHBondContact O-CA 3.5Å; K81-T104 PolarHBondContact N-O 3.35Å; K81-T104 PolarHBondContact O-N 3.44Å; K81-P106 HydrophobicContact CG-CB 3.85Å
82A97.8Very high96.6Very high3 Ų355.2 Ų55.23%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-96.3111.9171.300000109.8F71 S84 K85 F88 V101F71-A82 HydrophobicContact CD2-CB 3.67Å; F71-A82 HydrophobicContact CE2-CB 3.51Å; A82-S84 PolarHBondContact O-N 2.87Å; A82-K85 PolarHBondContact N-O 3.13Å; A82-K85 WeakPolarHBondContact O-CB 3.02Å; A82-K85 PolarHBondContact O-N 2.73Å; A82-F88 HydrophobicContact CB-CB 3.92Å; A82-V101 HydrophobicContact CB-CG1 3.74Å
83N96.8Very high96.1Very high68 Ų6858.4 Ų58.436%0.36431%0.309SS..THydrogen-bonded Turntrans48.147.4-175.9-65.4-22.7000111.6K85 Q100 N102N83-K85 PolarHBondContact O-N 3.45Å; N83-Q100 PolarHBondContact ND2-O 2.68Å; N83-Q100 VanDerWaalsContact ND2-O 3.13Å; N83-N102 PolarHBondContact N-O 2.9Å; N83-N102 WeakPolarHBondContact OD1-CB 3.37Å; N83-N102 PolarHBondContact OD1-N 2.96Å
84S95.3Very high95.2Very high105 Ų10565.2 Ų65.273%0.73434%0.341SS*.THydrogen-bonded Turntrans65.78.7-176.7-510000116.3A82A82-S84 PolarHBondContact O-N 2.87Å
85K96.5Very high94.4Very high147 Ų14772 Ų7264%0.63937%0.374SS*.BIsolated β-bridgetrans-110.2159.3176.8-61.9-176.8179.6-176.10111.9K81 A82 N83 M87K81-K85 CarbonylContact C-O 3.54Å; K81-K85 VanDerWaalsContact CA-O 3.27Å; K81-K85 WeakPolarHBondContact CA-O 3.43Å; K81-K85 WeakPolarHBondContact CD-O 2.63Å; A82-K85 PolarHBondContact N-O 3.13Å; A82-K85 WeakPolarHBondContact O-CB 3.02Å; A82-K85 PolarHBondContact O-N 2.73Å; N83-K85 PolarHBondContact O-N 3.45Å; K85-M87 VanDerWaalsContact C-N 3.33Å
86E95.5Very high93.5Very high69 Ų6967.3 Ų67.332%0.32237%0.368SS..SBendtrans-72.4-28.1177.9-68.5177.1174.900113K81 R156K81-E86 HydrophobicContact CD-CG 4.34Å; K81-E86 IonicContact NZ-OE1 2.58Å; K81-E86 PolarHBondContact NZ-OE1 2.93Å; E86-R156 IonicContact OE1-NH1 3.42Å; E86-R156 IonicContact OE2-CZ 2.99Å; E86-R156 IonicContact OE2-NH1 2.96Å; E86-R156 PolarHBondContact OE2-NH1 3.47Å; E86-R156 VanDerWaalsContact OE2-NH1 3.17Å; E86-R156 IonicContact OE2-NH2 3.59Å; E86-R156 PolarHBondContact OE2-NH2 2.88Å
87M96.1Very high92.8Very high39 Ų3971.6 Ų71.619%0.19238%0.384CS..SBendtrans-133.7148.3177.3-62.9-167.3-62.300110.4V15 P68 W69 M70 K85 I153V15-M87 HydrophobicContact CG1-CE 4.31Å; V15-M87 HydrophobicContact CG1-SD 4.14Å; P68-M87 HydrophobicContact CB-SD 4.14Å; W69-M87 CarbonylContact O-C 3.54Å; W69-M87 VanDerWaalsContact O-CA 3.26Å; W69-M87 WeakPolarHBondContact O-CA 3.26Å; M70-M87 HydrophobicContact CG-CG 3.81Å; M70-M87 HydrophobicContact CG-SD 4.28Å; K85-M87 VanDerWaalsContact C-N 3.33Å; M87-I153 HydrophobicContact CE-CG2 3.76Å; M87-I153 HydrophobicContact CG-CD1 4.23Å; M87-I153 HydrophobicContact SD-CD1 4.08Å; M87-I153 HydrophobicContact SD-CG2 4.46Å
88F97.9Very high92.3Very high16 Ų1672.1 Ų72.17%0.0739%0.394CS..BIsolated β-bridgetrans-95.5129.4163.3171.4-114.7000109.5A26 F28 W69 F71 A82 P90 V99 V101A26-F88 HydrophobicContact CB-CE1 3.79Å; A26-F88 HydrophobicContact CB-CZ 3.99Å; F28-F88 AromaticContact CE1-CD1 3.93Å; F28-F88 HydrophobicContact CE1-CD1 3.93Å; F28-F88 HydrophobicContact CE1-CE1 4.01Å; W69-F88 HydrophobicContact CB-CB 4.2Å; W69-F88 HydrophobicContact CB-CD1 4.2Å; W69-F88 HydrophobicContact CG-CD1 4.35Å; W69-F88 PolarHBondContact N-O 2.96Å; W69-F88 PolarHBondContact O-N 2.69Å; F71-F88 HydrophobicContact CE2-CB 3.98Å; A82-F88 HydrophobicContact CB-CB 3.92Å; F88-P90 HydrophobicContact CD1-CG 4.22Å; F88-P90 HydrophobicContact CE1-CB 4.15Å; F88-P90 HydrophobicContact CE1-CG 3.68Å; F88-P90 HydrophobicContact CZ-CB 4.21Å; F88-P90 HydrophobicContact CZ-CG 4.23Å; F88-V99 HydrophobicContact CE2-CG1 4.11Å; F88-V99 HydrophobicContact CZ-CG1 4.35Å; F88-V101 HydrophobicContact CB-CG1 4.17Å; F88-V101 HydrophobicContact CD1-CG2 3.96Å; F88-V101 HydrophobicContact CD2-CG1 4.22Å; F88-V101 HydrophobicContact CD2-CG2 3.68Å; F88-V101 HydrophobicContact CE1-CG2 3.81Å; F88-V101 HydrophobicContact CE2-CG2 3.54Å; F88-V101 HydrophobicContact CG-CG1 4.1Å; F88-V101 HydrophobicContact CG-CG2 3.9Å; F88-V101 HydrophobicContact CZ-CG2 3.59Å
89L96.8Very high92.1Very high96 Ų9673.8 Ų73.850%0.50340%0.404SS..  trans-115113.6171.2-65.5176.2000107.9P68P68-L89 HydrophobicContact CB-CD2 3.91Å; P68-L89 HydrophobicContact CG-CD2 4.05Å
90P95.6Very high91.9Very high5 Ų576.5 Ų76.53%0.03241%0.409CS..  trans-59.9139.6177.9-2130.6000111.2S24 T63 F64 H67 F88S24-P90 WeakPolarHBondContact OG-CB 3.34Å; T63-P90 HydrophobicContact CG2-CB 3.86Å; T63-P90 HydrophobicContact CG2-CG 3.48Å; T63-P90 VanDerWaalsContact CG2-CG 3.48Å; F64-P90 WeakPolarHBondContact O-CG 3.38Å; H67-P90 HydrophobicContact CB-CG 4.49Å; H67-P90 WeakPolarHBondContact O-CD 3.37Å; F88-P90 HydrophobicContact CD1-CG 4.22Å; F88-P90 HydrophobicContact CE1-CB 4.15Å; F88-P90 HydrophobicContact CE1-CG 3.68Å; F88-P90 HydrophobicContact CZ-CB 4.21Å; F88-P90 HydrophobicContact CZ-CG 4.23Å
91K93.1Very high91.9Very high143 Ų14376.3 Ų76.362%0.62241%0.408SS*.  trans-104.5160173.5-68.8-174.6176.2-171.50110S24S24-K91 WeakPolarHBondContact CB-O 3.45Å; S24-K91 PolarHBondContact OG-O 3.14Å
92P90.9Very high91.9Very high72 Ų7275.5 Ų75.547%0.46841%0.407SS..PPolyproline II helixtrans-51.8145.8171.1-24.133.2000110.9I22 V65 E94I22-P92 HydrophobicContact CG2-CB 4.46Å; V65-P92 HydrophobicContact CG2-CB 4.44Å; V65-P92 HydrophobicContact CG2-CG 4.01Å; P92-E94 PolarHBondContact O-N 3.42Å
93M86.9Confident92Very high69 Ų6975.3 Ų75.334%0.3441%0.405SS..PPolyproline II helixtrans-67.6117.1177.5-66.6-172.1-69.400110.1P23 N25P23-M93 HydrophobicContact CB-CE 4.39Å; P23-M93 HydrophobicContact CG-CE 4.19Å; N25-M93 HydrophobicContact CB-SD 4.12Å; N25-M93 PolarHBondContact ND2-SD 2.93Å
94E80.8Confident92Very high151 Ų15174.3 Ų74.371%0.70640%0.402SS*.SBendtrans-87.6121.1167.3-70173.6-164.500107.9P92 G96 Q97P92-E94 PolarHBondContact O-N 3.42Å; E94-G96 PolarHBondContact O-N 3.5Å; E94-Q97 PolarHBondContact O-N 2.85Å
95N80Confident92.1Very high158 Ų15872.7 Ų72.785%0.84538%0.384SS*.THydrogen-bonded Turntrans57.422.8176.6-52.4-28.2000115.4Q97N95-Q97 PolarHBondContact O-N 2.91Å
96G76.6Confident92.1Very high58 Ų5867 Ų6760%0.59836%0.362SS*.THydrogen-bonded Turntrans71.79.1179.600000115.2E94E94-G96 PolarHBondContact O-N 3.5Å
97Q82Confident92.1Very high148 Ų14871 Ų7169%0.69239%0.391SS*.PPolyproline II helixtrans-83.4139.5179.2-66.9-173.9-3.400111.6E94 N95E94-Q97 PolarHBondContact O-N 2.85Å; N95-Q97 PolarHBondContact O-N 2.91Å
98A87.8Confident92.1Very high50 Ų5071.4 Ų71.441%0.41339%0.394SS..PPolyproline II helixtrans-76.2133.8174.800000110.6N25 V27 Q100N25-A98 HydrophobicContact CB-CB 3.92Å; N25-A98 CarbonylContact O-C 3.6Å; N25-A98 VanDerWaalsContact O-CA 3.29Å; N25-A98 WeakPolarHBondContact O-CA 3.23Å; V27-A98 HydrophobicContact CG2-CB 3.86Å; A98-Q100 PolarHBondContact O-N 3.11Å
99V92.6Very high92.1Very high52 Ų5273.2 Ų73.232%0.31541%0.409SS..EExtended strand (participates in β ladder)trans-73.6125179178.50000109.8N25 A26 V27 F88N25-V99 PolarHBondContact O-N 3.41Å; A26-V99 CarbonylContact C-O 3.49Å; A26-V99 VanDerWaalsContact CA-O 3.26Å; A26-V99 WeakPolarHBondContact CA-O 3.49Å; V27-V99 PolarHBondContact N-O 2.64Å; F88-V99 HydrophobicContact CE2-CG1 4.11Å; F88-V99 HydrophobicContact CZ-CG1 4.35Å
100Q95.4Very high92.2Very high100 Ų10075.9 Ų75.947%0.46742%0.423SS..EExtended strand (participates in β ladder)trans-77.2128.1173.5-167.117315.400110.9C29 N83 A98 N102C29-Q100 PolarHBondContact SG-NE2 3.39Å; C29-Q100 VanDerWaalsContact SG-NE2 3.37Å; N83-Q100 PolarHBondContact ND2-O 2.68Å; N83-Q100 VanDerWaalsContact ND2-O 3.13Å; A98-Q100 PolarHBondContact O-N 3.11Å; Q100-N102 PolarHBondContact NE2-OD1 3.15Å
101V97.8Very high92.3Very high0 Ų080.9 Ų80.90%044%0.444CS..EExtended strand (participates in β ladder)trans-116.299.1177.8-172.30000108.2A26 V27 F28 C29 F71 A82 F88 V103A26-V101 HydrophobicContact CB-CG2 4.18Å; V27-V101 PolarHBondContact O-N 3.46Å; F28-V101 HydrophobicContact CD1-CB 3.86Å; F28-V101 HydrophobicContact CD1-CG1 4.38Å; F28-V101 HydrophobicContact CD1-CG2 3.93Å; F28-V101 HydrophobicContact CE1-CB 4.45Å; F28-V101 HydrophobicContact CE1-CG2 4.11Å; C29-V101 PolarHBondContact N-O 2.84Å; F71-V101 HydrophobicContact CE2-CG1 4.08Å; F71-V101 HydrophobicContact CZ-CG1 4.02Å; A82-V101 HydrophobicContact CB-CG1 3.74Å; F88-V101 HydrophobicContact CB-CG1 4.17Å; F88-V101 HydrophobicContact CD1-CG2 3.96Å; F88-V101 HydrophobicContact CD2-CG1 4.22Å; F88-V101 HydrophobicContact CD2-CG2 3.68Å; F88-V101 HydrophobicContact CE1-CG2 3.81Å; F88-V101 HydrophobicContact CE2-CG2 3.54Å; F88-V101 HydrophobicContact CG-CG1 4.1Å; F88-V101 HydrophobicContact CG-CG2 3.9Å; F88-V101 HydrophobicContact CZ-CG2 3.59Å; V101-V103 HydrophobicContact CG1-CG2 4.29Å; V101-V103 PolarHBondContact O-N 3.02Å
102N98.4Very high92.5Very high36 Ų3678.6 Ų78.619%0.19344%0.435CS..EExtended strand (participates in β ladder)trans-81.1113.9177.5-61.5-43.2000109R31 N83 Q100R31-N102 PolarHBondContact NE-OD1 3.18Å; R31-N102 PolarHBondContact NH2-OD1 3.38Å; N83-N102 PolarHBondContact N-O 2.9Å; N83-N102 WeakPolarHBondContact OD1-CB 3.37Å; N83-N102 PolarHBondContact OD1-N 2.96Å; Q100-N102 PolarHBondContact NE2-OD1 3.15Å
103V98.6Very high92.8Very high0 Ų079.9 Ų79.90%043%0.431CS..EExtended strand (participates in β ladder)trans-98.5120.9178.9-173.90000109.8C29 R31 S32 M36 F71 L80 K81 V101C29-V103 PolarHBondContact O-N 3.27Å; R31-V103 CarbonylContact C-O 3.5Å; R31-V103 WeakPolarHBondContact CA-O 3.36Å; R31-V103 PolarHBondContact N-O 2.75Å; S32-V103 PolarHBondContact N-O 2.72Å; M36-V103 HydrophobicContact CE-CG2 4.36Å; M36-V103 HydrophobicContact CG-CG1 4.49Å; M36-V103 HydrophobicContact SD-CB 3.47Å; M36-V103 WeakPolarHBondContact SD-CB 3.37Å; M36-V103 HydrophobicContact SD-CG1 3.37Å; M36-V103 WeakPolarHBondContact SD-CG1 3.46Å; M36-V103 HydrophobicContact SD-CG2 3.63Å; F71-V103 HydrophobicContact CB-CG1 3.68Å; F71-V103 HydrophobicContact CB-CG2 4.36Å; F71-V103 HydrophobicContact CD1-CG1 4.44Å; F71-V103 HydrophobicContact CD1-CG2 3.67Å; F71-V103 HydrophobicContact CD2-CG2 3.94Å; F71-V103 HydrophobicContact CE1-CG2 3.83Å; F71-V103 HydrophobicContact CE2-CG2 4.12Å; F71-V103 HydrophobicContact CG-CB 4.5Å; F71-V103 HydrophobicContact CG-CG1 3.98Å; F71-V103 HydrophobicContact CG-CG2 3.71Å; F71-V103 HydrophobicContact CZ-CG2 4.05Å; L80-V103 HydrophobicContact CB-CG1 3.55Å; L80-V103 HydrophobicContact CD1-CG1 4Å; L80-V103 HydrophobicContact CG-CG1 4.4Å; K81-V103 CarbonylContact O-C 3.41Å; K81-V103 VanDerWaalsContact O-CA 3.23Å; K81-V103 WeakPolarHBondContact O-CA 3.5Å; V101-V103 HydrophobicContact CG1-CG2 4.29Å; V101-V103 PolarHBondContact O-N 3.02Å
104T98.4Very high93.4Very high46 Ų4678.9 Ų78.928%0.28243%0.434SS..EExtended strand (participates in β ladder)trans-128.6163-173.760.70000111.4R31 K81R31-T104 HydrophobicContact CB-CG2 4.07Å; K81-T104 PolarHBondContact N-O 3.35Å; K81-T104 PolarHBondContact O-N 3.44Å
105L97.3Very high94.2Very high71 Ų7172.7 Ų72.737%0.37241%0.405SS..  trans-62.4139.8164.7-74.8170.8000109.8P33 R34 L80P33-L105 HydrophobicContact CG-CD1 3.74Å; R34-L105 HydrophobicContact CG-CD2 3.88Å; L80-L105 HydrophobicContact CD2-CD2 3.8Å
106P96.5Very high95Very high27 Ų2766.2 Ų66.218%0.17537%0.37CS..  trans-69.1159.3164.629.8-33000110.6A79 K81 L108A79-P106 WeakPolarHBondContact O-CD 3.46Å; A79-P106 WeakPolarHBondContact O-CG 3.41Å; K81-P106 HydrophobicContact CG-CB 3.85Å; P106-L108 HydrophobicContact CB-CD2 4.46Å; P106-L108 HydrophobicContact CG-CD2 3.68Å; P106-L108 HydrophobicContact CG-CG 4.09Å; P106-L108 PolarHBondContact O-N 2.85Å
107V95.2Very high96.1Very high154 Ų15466.1 Ų66.193%0.93336%0.358SS*.  trans-75.5103.4160.8-1780000106.9
108L95.9Very high96.8Very high47 Ų4761.2 Ų61.225%0.24634%0.338CS..  trans-80.4151.9179-64169.8000110.3P106 E112 R113P106-L108 HydrophobicContact CB-CD2 4.46Å; P106-L108 HydrophobicContact CG-CD2 3.68Å; P106-L108 HydrophobicContact CG-CG 4.09Å; P106-L108 PolarHBondContact O-N 2.85Å; L108-E112 HydrophobicContact CB-CB 4.31Å; L108-E112 HydrophobicContact CD2-CB 4.33Å; L108-R113 HydrophobicContact CB-CB 4.29Å; L108-R113 HydrophobicContact CD1-CB 4.37Å
109S97.8Very high97.3Very high55 Ų5561 Ų6139%0.38533%0.326SS..  trans-61.5153.1161.665.80000110.1K111 E112 R113S109-K111 PolarHBondContact O-N 2.84Å; S109-E112 WeakPolarHBondContact CB-OE2 3.47Å; S109-E112 PolarHBondContact N-OE2 3.37Å; S109-E112 PolarHBondContact O-N 3.42Å; S109-E112 WeakPolarHBondContact OG-CB 3.21Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.39Å; S109-E112 PolarHBondContact OG-N 2.81Å; S109-E112 VanDerWaalsContact OG-N 3.13Å; S109-E112 PolarHBondContact OG-OE2 2.84Å; S109-R113 PolarHBondContact O-N 3.41Å
110L98.1Very high97.5Very high152 Ų15268.5 Ų68.580%0.79635%0.349SS*.Hα-helixtrans-56.5-37.3176.1-179.360.1000111.3R113 A114L110-R113 PolarHBondContact O-N 3.05Å; L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 3.1Å
111K98.1Very high97.6Very high110 Ų11070.3 Ų70.348%0.47836%0.361SS..Hα-helixtrans-59.1-56.2175.5178.2-174.9170.6179.70112.1S109 R113 A114 L115 E139S109-K111 PolarHBondContact O-N 2.84Å; K111-R113 VanDerWaalsContact C-N 3.27Å; K111-R113 PolarHBondContact O-N 2.94Å; K111-A114 PolarHBondContact O-N 2.8Å; K111-L115 HydrophobicContact CG-CD1 4.48Å; K111-L115 WeakPolarHBondContact O-CG 3.22Å; K111-L115 PolarHBondContact O-N 2.93Å; K111-E139 VanDerWaalsContact CE-OE1 3.26Å; K111-E139 WeakPolarHBondContact CE-OE1 3.42Å; K111-E139 WeakPolarHBondContact CE-OE2 3.38Å; K111-E139 IonicContact NZ-OE1 3.17Å; K111-E139 PolarHBondContact NZ-OE1 3.2Å; K111-E139 IonicContact NZ-OE2 2.7Å; K111-E139 PolarHBondContact NZ-OE2 3.22Å; K111-E139 VanDerWaalsContact NZ-OE2 3.11Å
112E97.4Very high97.6Very high94 Ų9472 Ų7244%0.43937%0.371SS..Hα-helixtrans-59.8-40.3178.4-71.6160.6146.800111.5L108 S109 L115 Q116L108-E112 HydrophobicContact CB-CB 4.31Å; L108-E112 HydrophobicContact CD2-CB 4.33Å; S109-E112 WeakPolarHBondContact CB-OE2 3.47Å; S109-E112 PolarHBondContact N-OE2 3.37Å; S109-E112 PolarHBondContact O-N 3.42Å; S109-E112 WeakPolarHBondContact OG-CB 3.21Å; S109-E112 VanDerWaalsContact OG-CD 3.23Å; S109-E112 WeakPolarHBondContact OG-CG 3.39Å; S109-E112 PolarHBondContact OG-N 2.81Å; S109-E112 VanDerWaalsContact OG-N 3.13Å; S109-E112 PolarHBondContact OG-OE2 2.84Å; E112-L115 PolarHBondContact O-N 3.2Å; E112-Q116 WeakPolarHBondContact O-CG 3.41Å; E112-Q116 PolarHBondContact O-N 3.24Å
113R97.8Very high97.6Very high99 Ų9978.9 Ų78.937%0.37440%0.395SS..Hα-helixtrans-65.3-40.9177.5-177.863-151.5153.6-0.1112L108 S109 L110 K111 Q116 V117L108-R113 HydrophobicContact CB-CB 4.29Å; L108-R113 HydrophobicContact CD1-CB 4.37Å; S109-R113 PolarHBondContact O-N 3.41Å; L110-R113 PolarHBondContact O-N 3.05Å; K111-R113 VanDerWaalsContact C-N 3.27Å; K111-R113 PolarHBondContact O-N 2.94Å; R113-Q116 PolarHBondContact O-N 2.83Å; R113-V117 WeakPolarHBondContact O-CG2 3.34Å; R113-V117 PolarHBondContact O-N 2.84Å; R113-V117 VanDerWaalsContact O-N 3.13Å
114A98.2Very high97.5Very high48 Ų4881.4 Ų81.440%0.39741%0.411SS..Hα-helixtrans-62.3-45.617500000111.2L110 K111 Q116 V117 V118L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 3.1Å; K111-A114 PolarHBondContact O-N 2.8Å; A114-Q116 VanDerWaalsContact C-N 3.32Å; A114-Q116 PolarHBondContact O-N 3.22Å; A114-V117 PolarHBondContact O-N 2.9Å; A114-V117 VanDerWaalsContact O-N 3.1Å; A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 2.99Å
115L98.4Very high97.5Very high21 Ų2186.1 Ų86.111%0.1143%0.429CS..Hα-helixtrans-56.8-44.3175.3-67.6171.7000111.6K111 E112 V117 V118 R119 E139 L140K111-L115 HydrophobicContact CG-CD1 4.48Å; K111-L115 WeakPolarHBondContact O-CG 3.22Å; K111-L115 PolarHBondContact O-N 2.93Å; E112-L115 PolarHBondContact O-N 3.2Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.78Å; L115-V118 PolarHBondContact O-N 2.65Å; L115-R119 WeakPolarHBondContact O-CB 3.45Å; L115-R119 WeakPolarHBondContact O-CG 3.44Å; L115-R119 PolarHBondContact O-N 2.93Å; L115-E139 HydrophobicContact CD1-CB 4.12Å; L115-E139 HydrophobicContact CD2-CB 4.16Å; L115-L140 HydrophobicContact CB-CD2 4.38Å; L115-L140 HydrophobicContact CD2-CD2 3.51Å; L115-L140 HydrophobicContact CD2-CG 3.69Å
116Q97.7Very high97.5Very high22 Ų2285 Ų8510%0.10342%0.424CS..Hα-helixtrans-59.8-40.9176-74.6178-5.400112.9D78 E112 R113 A114 R120D78-Q116 PolarHBondContact OD1-NE2 2.83Å; D78-Q116 PolarHBondContact OD2-NE2 2.83Å; E112-Q116 WeakPolarHBondContact O-CG 3.41Å; E112-Q116 PolarHBondContact O-N 3.24Å; R113-Q116 PolarHBondContact O-N 2.83Å; A114-Q116 VanDerWaalsContact C-N 3.32Å; A114-Q116 PolarHBondContact O-N 3.22Å; Q116-R120 PolarHBondContact O-N 2.94Å
117V97.9Very high97.6Very high56 Ų5683.8 Ų83.834%0.33942%0.416SS..Hα-helixtrans-69-45.6178.8174.10000110.5R113 A114 L115 R119 R120 L121R113-V117 WeakPolarHBondContact O-CG2 3.34Å; R113-V117 PolarHBondContact O-N 2.84Å; R113-V117 VanDerWaalsContact O-N 3.13Å; A114-V117 PolarHBondContact O-N 2.9Å; A114-V117 VanDerWaalsContact O-N 3.1Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.78Å; V117-R119 PolarHBondContact O-N 3.39Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 2.76Å; V117-R120 VanDerWaalsContact O-N 3.13Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 3.03Å
118V98.3Very high97.8Very high45 Ų4581.9 Ų81.927%0.27339%0.392SS..Hα-helixtrans-62.4-45179.5175.40000111.2A114 L115 R120 L121 V122 L130 L140A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 2.99Å; L115-V118 PolarHBondContact O-N 2.65Å; V118-R120 PolarHBondContact O-N 2.86Å; V118-R120 VanDerWaalsContact O-N 3.14Å; V118-L121 PolarHBondContact O-N 3.02Å; V118-V122 HydrophobicContact CG1-CB 4.4Å; V118-V122 HydrophobicContact CG1-CG2 4Å; V118-V122 PolarHBondContact O-N 3.17Å; V118-L130 HydrophobicContact CG1-CD1 3.78Å; V118-L140 HydrophobicContact CB-CD2 3.7Å; V118-L140 HydrophobicContact CG1-CD1 3.78Å; V118-L140 HydrophobicContact CG1-CD2 3.54Å; V118-L140 HydrophobicContact CG1-CG 4.34Å
119R97.9Very high97.9Very high47 Ų4788.8 Ų88.818%0.17742%0.415CS..Hα-helixtrans-59.4-24.6176.1-70.9171178.5155.4-0.9113.7L115 V117 Y127 E139 L140 D142L115-R119 WeakPolarHBondContact O-CB 3.45Å; L115-R119 WeakPolarHBondContact O-CG 3.44Å; L115-R119 PolarHBondContact O-N 2.93Å; V117-R119 PolarHBondContact O-N 3.39Å; R119-Y127 WeakPolarHBondContact CG-OH 3.26Å; R119-E139 PolarHBondContact NH2-O 3.17Å; R119-L140 HydrophobicContact CG-CD2 3.99Å; R119-L140 PolarHBondContact NE-O 3.45Å; R119-D142 PolarHBondContact NH2-O 2.57Å
120R96.3Very high97.9Very high208 Ų20888.5 Ų88.579%0.78541%0.409SS*.Hα-helixtrans-82.3-31.7176.2-174.9178.1-179.8-175.51.9112.6Q116 V117 V118Q116-R120 PolarHBondContact O-N 2.94Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 2.76Å; V117-R120 VanDerWaalsContact O-N 3.13Å; V118-R120 PolarHBondContact O-N 2.86Å; V118-R120 VanDerWaalsContact O-N 3.14Å
121L97.9Very high97.9Very high138 Ų13890.9 Ų90.972%0.72342%0.416SS*.Hα-helixtrans-94.4-27.2-173.9-65.2176.3000113.1V117 V118V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 3.03Å; V118-L121 PolarHBondContact O-N 3.02Å
122V98Very high97.9Very high35 Ų3589 Ų8921%0.21241%0.41CS..SBendtrans-115.1137.4-173.8-171.50000109.1V118 D126 Y127 L130V118-V122 HydrophobicContact CG1-CB 4.4Å; V118-V122 HydrophobicContact CG1-CG2 4Å; V118-V122 PolarHBondContact O-N 3.17Å; V122-D126 HydrophobicContact CG1-CB 3.81Å; V122-Y127 HydrophobicContact CB-CD1 4.15Å; V122-Y127 HydrophobicContact CB-CE1 4.11Å; V122-Y127 HydrophobicContact CG1-CD1 3.88Å; V122-Y127 HydrophobicContact CG1-CE1 4.28Å; V122-Y127 WeakPolarHBondContact O-CE1 3.45Å; V122-L130 HydrophobicContact CG1-CD1 4.43Å; V122-L130 HydrophobicContact CG1-CD2 4.4Å; V122-L130 HydrophobicContact CG2-CD1 4.43Å; V122-L130 HydrophobicContact CG2-CD2 4.22Å
123R97.7Very high97.9Very high182 Ų18287.2 Ų87.269%0.68741%0.412SS*.  trans-73.2148.5174.7-61.3-177.9178.9176.80.2110.2E125 D126 Y127R123-E125 WeakPolarHBondContact CB-OE2 3.27Å; R123-E125 PolarHBondContact O-N 3.25Å; R123-D126 PolarHBondContact O-N 2.94Å; R123-Y127 WeakPolarHBondContact O-CD1 3.34Å; R123-Y127 PolarHBondContact O-N 2.86Å
124P97.3Very high97.9Very high52 Ų5291 Ų9134%0.33843%0.426SS..G310 helixtrans-56.8-35.6-176.9-28.139.4000114.1D126 Y127P124-D126 PolarHBondContact O-N 3.43Å; P124-Y127 HydrophobicContact CB-CD2 4.47Å; P124-Y127 HydrophobicContact CB-CE2 4.09Å; P124-Y127 PolarHBondContact O-N 2.86Å
125E97.8Very high97.9Very high145 Ų14592 Ų9268%0.67843%0.429SS*.G310 helixtrans-66-22.5-179.6-53.872.7-148.700111.8R123R123-E125 WeakPolarHBondContact CB-OE2 3.27Å; R123-E125 PolarHBondContact O-N 3.25Å
126D98.3Very high97.9Very high49 Ų4993.9 Ų93.926%0.26244%0.439SS..G310 helixtrans-97.3-4.7-178.7-67.2-51000113.4V122 R123 P124 R128 R129V122-D126 HydrophobicContact CG1-CB 3.81Å; R123-D126 PolarHBondContact O-N 2.94Å; P124-D126 PolarHBondContact O-N 3.43Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.34Å; D126-R129 WeakPolarHBondContact O-CB 3.42Å; D126-R129 PolarHBondContact O-N 3.4Å; D126-R129 VanDerWaalsContact OD1-CD 3.22Å; D126-R129 WeakPolarHBondContact OD1-CD 3.45Å; D126-R129 IonicContact OD1-CZ 3.76Å; D126-R129 IonicContact OD1-NE 2.85Å; D126-R129 IonicContact OD1-NH1 3.87Å; D126-R129 PolarHBondContact OD1-NH1 3.27Å
127Y98.3Very high97.9Very high1 Ų193.7 Ų93.70%0.00444%0.438CS..G310 helixtrans-55.5-43.7-177.9-69.7-13.1000112.6R119 V122 R123 P124 R129 L130 H137 L140 E141R119-Y127 WeakPolarHBondContact CG-OH 3.26Å; V122-Y127 HydrophobicContact CB-CD1 4.15Å; V122-Y127 HydrophobicContact CB-CE1 4.11Å; V122-Y127 HydrophobicContact CG1-CD1 3.88Å; V122-Y127 HydrophobicContact CG1-CE1 4.28Å; V122-Y127 WeakPolarHBondContact O-CE1 3.45Å; R123-Y127 WeakPolarHBondContact O-CD1 3.34Å; R123-Y127 PolarHBondContact O-N 2.86Å; P124-Y127 HydrophobicContact CB-CD2 4.47Å; P124-Y127 HydrophobicContact CB-CE2 4.09Å; P124-Y127 PolarHBondContact O-N 2.86Å; Y127-R129 PolarHBondContact O-N 3.39Å; Y127-L130 WeakPolarHBondContact O-CB 2.89Å; Y127-L130 WeakPolarHBondContact O-CG 3.26Å; Y127-L130 PolarHBondContact O-N 3Å; Y127-H137 PolarHBondContact O-CD2 3.44Å; Y127-H137 PolarHBondContact O-NE2 2.84Å; Y127-L140 HydrophobicContact CD2-CB 3.79Å; Y127-L140 HydrophobicContact CE2-CB 4.06Å; Y127-L140 WeakPolarHBondContact CE2-O 3.29Å; Y127-L140 HydrophobicContact CG-CB 4.09Å; Y127-L140 HydrophobicContact CG-CD1 4.46Å; Y127-E141 HydrophobicContact CD2-CG 4.02Å
128R98.1Very high97.9Very high113 Ų11395 Ų9543%0.42644%0.441SS..G310 helixtrans-70.3-9.2-179.7-67-74.3177.51682.3114.1D126 E141D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.34Å; R128-E141 IonicContact CZ-OE1 2.68Å; R128-E141 IonicContact CZ-OE2 2.91Å; R128-E141 IonicContact NE-OE1 3.44Å; R128-E141 PolarHBondContact NE-OE1 2.96Å; R128-E141 IonicContact NE-OE2 2.64Å; R128-E141 IonicContact NH2-OE1 3.11Å; R128-E141 PolarHBondContact NH2-OE1 2.85Å; R128-E141 IonicContact NH2-OE2 3.21Å; R128-E141 PolarHBondContact NH2-OE2 3.38Å
129R98.1Very high97.9Very high192 Ų19295.3 Ų95.373%0.72544%0.439SS*.G310 helixtrans-89.6-11.5176.1-57.7172.366.6-175.52.4112.6D126 Y127D126-R129 WeakPolarHBondContact O-CB 3.42Å; D126-R129 PolarHBondContact O-N 3.4Å; D126-R129 VanDerWaalsContact OD1-CD 3.22Å; D126-R129 WeakPolarHBondContact OD1-CD 3.45Å; D126-R129 IonicContact OD1-CZ 3.76Å; D126-R129 IonicContact OD1-NE 2.85Å; D126-R129 IonicContact OD1-NH1 3.87Å; D126-R129 PolarHBondContact OD1-NH1 3.27Å; Y127-R129 PolarHBondContact O-N 3.39Å
130L98.2Very high97.9Very high50 Ų5093.1 Ų93.126%0.26243%0.431SS..SBendtrans-68.8133.5177.7-63174.1000110.2V118 V122 Y127 I132 H137 L140V118-L130 HydrophobicContact CG1-CD1 3.78Å; V122-L130 HydrophobicContact CG1-CD1 4.43Å; V122-L130 HydrophobicContact CG1-CD2 4.4Å; V122-L130 HydrophobicContact CG2-CD1 4.43Å; V122-L130 HydrophobicContact CG2-CD2 4.22Å; Y127-L130 WeakPolarHBondContact O-CB 2.89Å; Y127-L130 WeakPolarHBondContact O-CG 3.26Å; Y127-L130 PolarHBondContact O-N 3Å; L130-I132 HydrophobicContact CB-CD1 4Å; L130-I132 HydrophobicContact CB-CG1 3.91Å; L130-I132 HydrophobicContact CD1-CD1 4.08Å; L130-I132 PolarHBondContact O-N 3.46Å; L130-H137 PolarHBondContact O-NE2 2.82Å; L130-L140 HydrophobicContact CD1-CD1 3.74Å
131E98.1Very high98Very high202 Ų20287.2 Ų87.294%0.94441%0.412SS*.SBendtrans-76.259.8177.4-61.9-177.2170.800111.8
132I97.9Very high98Very high71 Ų7185.1 Ų85.136%0.36440%0.402SS..SBendtrans-128.5167.1-179.663179.8000110.5L130 L136 H137 L140L130-I132 HydrophobicContact CB-CD1 4Å; L130-I132 HydrophobicContact CB-CG1 3.91Å; L130-I132 HydrophobicContact CD1-CD1 4.08Å; L130-I132 PolarHBondContact O-N 3.46Å; I132-L136 HydrophobicContact CB-CD1 4.29Å; I132-L136 HydrophobicContact CD1-CB 3.77Å; I132-L136 HydrophobicContact CG1-CB 4.22Å; I132-H137 WeakPolarHBondContact CG1-NE2 3.35Å; I132-H137 PolarHBondContact O-CE1 3.12Å; I132-L140 HydrophobicContact CD1-CD1 3.84Å
133A98.1Very high97.9Very high56 Ų5689.5 Ų89.546%0.46341%0.414SS..  trans-58.3142178.300000111.9C135 L136 H137A133-C135 PolarHBondContact O-N 3.13Å; A133-L136 HydrophobicContact CB-CD1 4.43Å; A133-L136 HydrophobicContact CB-CG 4.48Å; A133-L136 WeakPolarHBondContact O-CB 3.49Å; A133-L136 PolarHBondContact O-N 3.38Å; A133-H137 PolarHBondContact O-N 2.89Å
134R97.4Very high97.9Very high177 Ų17782.5 Ų82.567%0.66839%0.393SS*.Hα-helixtrans-53.4-39.3-178.5178.8-179.6167.1163.82.7113.6L136 H137 E138R134-L136 PolarHBondContact O-N 2.92Å; R134-H137 WeakPolarHBondContact O-CB 3.4Å; R134-H137 PolarHBondContact O-N 2.84Å; R134-H137 VanDerWaalsContact O-N 3.08Å; R134-E138 IonicContact CZ-OE1 3.7Å; R134-E138 IonicContact NE-OE1 3.35Å; R134-E138 PolarHBondContact NE-OE1 2.86Å; R134-E138 IonicContact NH2-OE1 2.78Å; R134-E138 PolarHBondContact O-N 2.86Å
135C98Very high97.9Very high69 Ų6981.5 Ų81.547%0.46639%0.387SS..Hα-helixtrans-59.6-33.5177.3550000112.2A133 E138 E139A133-C135 PolarHBondContact O-N 3.13Å; C135-E138 PolarHBondContact O-N 3.48Å; C135-E139 VanDerWaalsContact O-CG 3.3Å; C135-E139 WeakPolarHBondContact O-CG 3.43Å; C135-E139 PolarHBondContact O-N 2.86Å
136L98.1Very high97.9Very high61 Ų6175.3 Ų75.332%0.31936%0.359SS..Hα-helixtrans-73.6-27.8177.1-62.9175.2000112.3I132 A133 R134 L140I132-L136 HydrophobicContact CB-CD1 4.29Å; I132-L136 HydrophobicContact CD1-CB 3.77Å; I132-L136 HydrophobicContact CG1-CB 4.22Å; A133-L136 HydrophobicContact CB-CD1 4.43Å; A133-L136 HydrophobicContact CB-CG 4.48Å; A133-L136 WeakPolarHBondContact O-CB 3.49Å; A133-L136 PolarHBondContact O-N 3.38Å; R134-L136 PolarHBondContact O-N 2.92Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 2.82Å
137H98.4Very high97.8Very high18 Ų1877.6 Ų77.68%0.08337%0.37CS..Hα-helixtrans-64.5-47.9170.5-57.2138.6000111.1Y127 L130 I132 A133 R134 E139 L140 E141Y127-H137 PolarHBondContact O-CD2 3.44Å; Y127-H137 PolarHBondContact O-NE2 2.84Å; L130-H137 PolarHBondContact O-NE2 2.82Å; I132-H137 WeakPolarHBondContact CG1-NE2 3.35Å; I132-H137 PolarHBondContact O-CE1 3.12Å; A133-H137 PolarHBondContact O-N 2.89Å; R134-H137 WeakPolarHBondContact O-CB 3.4Å; R134-H137 PolarHBondContact O-N 2.84Å; R134-H137 VanDerWaalsContact O-N 3.08Å; H137-E139 VanDerWaalsContact C-N 3.26Å; H137-E139 PolarHBondContact O-N 3.13Å; H137-L140 WeakPolarHBondContact O-CB 3.19Å; H137-L140 PolarHBondContact O-N 2.81Å; H137-L140 VanDerWaalsContact O-N 3.12Å; H137-E141 WeakPolarHBondContact O-CG 3.39Å; H137-E141 PolarHBondContact O-N 3.19Å
138E98.2Very high97.8Very high85 Ų8582.1 Ų82.140%0.39739%0.39SS..Hα-helixtrans-60-40.8178.2-67.5165.8-170.900110.5R134 C135 E141 D142R134-E138 IonicContact CZ-OE1 3.7Å; R134-E138 IonicContact NE-OE1 3.35Å; R134-E138 PolarHBondContact NE-OE1 2.86Å; R134-E138 IonicContact NH2-OE1 2.78Å; R134-E138 PolarHBondContact O-N 2.86Å; C135-E138 PolarHBondContact O-N 3.48Å; E138-E141 PolarHBondContact O-N 3.45Å; E138-D142 WeakPolarHBondContact O-CB 3.38Å; E138-D142 PolarHBondContact O-N 3.07Å
139E98.1Very high97.7Very high50 Ų5077.8 Ų77.823%0.23438%0.375CS..Hα-helixtrans-69-35.5174.4-71178.7-16600113.6K111 L115 R119 C135 H137 E141 D142K111-E139 VanDerWaalsContact CE-OE1 3.26Å; K111-E139 WeakPolarHBondContact CE-OE1 3.42Å; K111-E139 WeakPolarHBondContact CE-OE2 3.38Å; K111-E139 IonicContact NZ-OE1 3.17Å; K111-E139 PolarHBondContact NZ-OE1 3.2Å; K111-E139 IonicContact NZ-OE2 2.7Å; K111-E139 PolarHBondContact NZ-OE2 3.22Å; K111-E139 VanDerWaalsContact NZ-OE2 3.11Å; L115-E139 HydrophobicContact CD1-CB 4.12Å; L115-E139 HydrophobicContact CD2-CB 4.16Å; R119-E139 PolarHBondContact NH2-O 3.17Å; C135-E139 VanDerWaalsContact O-CG 3.3Å; C135-E139 WeakPolarHBondContact O-CG 3.43Å; C135-E139 PolarHBondContact O-N 2.86Å; H137-E139 VanDerWaalsContact C-N 3.26Å; H137-E139 PolarHBondContact O-N 3.13Å; E139-E141 VanDerWaalsContact C-N 3.3Å; E139-E141 PolarHBondContact O-N 3Å; E139-D142 PolarHBondContact O-N 2.88Å
140L98.3Very high97.6Very high2 Ų269.3 Ų69.31%0.0134%0.344CS..Hα-helixtrans-63.2-39.4174.1-77.3168.6000111.7L115 V118 R119 Y127 L130 I132 L136 H137L115-L140 HydrophobicContact CB-CD2 4.38Å; L115-L140 HydrophobicContact CD2-CD2 3.51Å; L115-L140 HydrophobicContact CD2-CG 3.69Å; V118-L140 HydrophobicContact CB-CD2 3.7Å; V118-L140 HydrophobicContact CG1-CD1 3.78Å; V118-L140 HydrophobicContact CG1-CD2 3.54Å; V118-L140 HydrophobicContact CG1-CG 4.34Å; R119-L140 HydrophobicContact CG-CD2 3.99Å; R119-L140 PolarHBondContact NE-O 3.45Å; Y127-L140 HydrophobicContact CD2-CB 3.79Å; Y127-L140 HydrophobicContact CE2-CB 4.06Å; Y127-L140 WeakPolarHBondContact CE2-O 3.29Å; Y127-L140 HydrophobicContact CG-CB 4.09Å; Y127-L140 HydrophobicContact CG-CD1 4.46Å; L130-L140 HydrophobicContact CD1-CD1 3.74Å; I132-L140 HydrophobicContact CD1-CD1 3.84Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 2.82Å; H137-L140 WeakPolarHBondContact O-CB 3.19Å; H137-L140 PolarHBondContact O-N 2.81Å; H137-L140 VanDerWaalsContact O-N 3.12Å
141E97.9Very high97.5Very high84 Ų8472.8 Ų72.839%0.39336%0.361SS..Hα-helixtrans-67.3-34175.6-69.4168.1179.700112.2Y127 R128 H137 E138 E139 R143Y127-E141 HydrophobicContact CD2-CG 4.02Å; R128-E141 IonicContact CZ-OE1 2.68Å; R128-E141 IonicContact CZ-OE2 2.91Å; R128-E141 IonicContact NE-OE1 3.44Å; R128-E141 PolarHBondContact NE-OE1 2.96Å; R128-E141 IonicContact NE-OE2 2.64Å; R128-E141 IonicContact NH2-OE1 3.11Å; R128-E141 PolarHBondContact NH2-OE1 2.85Å; R128-E141 IonicContact NH2-OE2 3.21Å; R128-E141 PolarHBondContact NH2-OE2 3.38Å; H137-E141 WeakPolarHBondContact O-CG 3.39Å; H137-E141 PolarHBondContact O-N 3.19Å; E138-E141 PolarHBondContact O-N 3.45Å; E139-E141 VanDerWaalsContact C-N 3.3Å; E139-E141 PolarHBondContact O-N 3Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 2.7Å
142D97.3Very high97.4Very high94 Ų9469 Ų6950%0.50334%0.338SS..SBendtrans-72.774.6177.9-171.635000113R119 E138 E139 K148R119-D142 PolarHBondContact NH2-O 2.57Å; E138-D142 WeakPolarHBondContact O-CB 3.38Å; E138-D142 PolarHBondContact O-N 3.07Å; E139-D142 PolarHBondContact O-N 2.88Å; D142-K148 IonicContact OD1-NZ 3.86Å; D142-K148 PolarHBondContact OD1-NZ 3.43Å
143R96.6Very high97.4Very high127 Ų12766.1 Ų66.148%0.47932%0.323SS..  trans-65.8150.5-177-71.3-179.2171.8-162.2-8.8113E141 K148E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 2.7Å; R143-K148 PolarHBondContact O-NZ 3.17Å
144P97.2Very high97.2Very high35 Ų3564.5 Ų64.523%0.22731%0.31CS..  trans-54.4142.4171.6-20.333.3000110.6D77 D78D77-P144 VanDerWaalsContact O-CB 3.26Å; D77-P144 WeakPolarHBondContact O-CB 3.38Å; D78-P144 VanDerWaalsContact OD1-CG 3.23Å; D78-P144 WeakPolarHBondContact OD1-CG 3.37Å
145S97.3Very high97.1Very high30 Ų3061.3 Ų61.321%0.2130%0.302CS..  trans-150.7127-180177.70000110.6R72 D77 L147 K148 D149R72-S145 PolarHBondContact NH2-O 2.89Å; D77-S145 WeakPolarHBondContact OD2-CA 3.32Å; D77-S145 PolarHBondContact OD2-N 3.05Å; S145-L147 PolarHBondContact O-N 2.94Å; S145-L147 PolarHBondContact OG-N 3.45Å; S145-K148 PolarHBondContact O-N 3.22Å; S145-D149 PolarHBondContact O-N 2.96Å
146V97.2Very high97Very high15 Ų1562.1 Ų62.19%0.09130%0.296CS..Hα-helixtrans-58.7-34.7176.165.10000110.9V39 P47 M70 R72 D77 D149 L150V39-V146 HydrophobicContact CG1-CG2 4.19Å; P47-V146 HydrophobicContact CB-CG1 4.05Å; P47-V146 HydrophobicContact CB-CG2 4.24Å; P47-V146 HydrophobicContact CG-CG1 4.01Å; M70-V146 HydrophobicContact CE-CG2 4.31Å; M70-V146 HydrophobicContact SD-CG2 3.89Å; R72-V146 VanDerWaalsContact NH2-N 3.13Å; D77-V146 PolarHBondContact OD2-N 2.82Å; V146-D149 PolarHBondContact O-N 3.23Å; V146-L150 HydrophobicContact CG2-CD1 4.15Å; V146-L150 HydrophobicContact CG2-CG 4.42Å; V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 VanDerWaalsContact O-CG 3.22Å; V146-L150 WeakPolarHBondContact O-CG 3.41Å; V146-L150 PolarHBondContact O-N 3.24Å
147L97.1Very high96.7Very high97 Ų9761.7 Ų61.751%0.50830%0.295SS..Hα-helixtrans-66.4-46177.3-66.2174.3000111.6P47 S145 D149 L150 M151P47-L147 HydrophobicContact CG-CD2 3.69Å; P47-L147 HydrophobicContact CG-CG 4.46Å; S145-L147 PolarHBondContact O-N 2.94Å; S145-L147 PolarHBondContact OG-N 3.45Å; L147-D149 VanDerWaalsContact C-N 3.28Å; L147-D149 PolarHBondContact O-N 3.17Å; L147-L150 PolarHBondContact O-N 3.49Å; L147-M151 WeakPolarHBondContact O-CG 3.41Å; L147-M151 PolarHBondContact O-N 2.8Å
148K97.3Very high96.5Very high97 Ų9765.9 Ų65.942%0.42232%0.315SS..Hα-helixtrans-60.5-41.5175.7-67.8178.2-173.2167.80111.2D142 R143 S145 M151 R152D142-K148 IonicContact OD1-NZ 3.86Å; D142-K148 PolarHBondContact OD1-NZ 3.43Å; R143-K148 PolarHBondContact O-NZ 3.17Å; S145-K148 PolarHBondContact O-N 3.22Å; K148-M151 PolarHBondContact O-N 2.94Å; K148-R152 WeakPolarHBondContact O-CB 3.29Å; K148-R152 PolarHBondContact O-N 2.89Å
149D97.2Very high96.3Very high22 Ų2267.2 Ų67.212%0.11832%0.321CS..Hα-helixtrans-66.5-41.6178.2-71.4-31.7000112.2M70 R72 S145 V146 L147 R152 I153M70-D149 HydrophobicContact CE-CB 3.87Å; R72-D149 IonicContact CZ-OD2 2.72Å; R72-D149 IonicContact NH1-OD2 3.71Å; R72-D149 PolarHBondContact NH1-OD2 3.1Å; R72-D149 IonicContact NH2-OD2 3.6Å; R72-D149 PolarHBondContact NH2-OD2 3.41Å; S145-D149 PolarHBondContact O-N 2.96Å; V146-D149 PolarHBondContact O-N 3.23Å; L147-D149 VanDerWaalsContact C-N 3.28Å; L147-D149 PolarHBondContact O-N 3.17Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-CZ 3.34Å; D149-R152 IonicContact OD1-NE 3.71Å; D149-R152 IonicContact OD1-NH2 3.81Å; D149-R152 PolarHBondContact OD1-NH2 3.19Å; D149-I153 WeakPolarHBondContact O-CD1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.34Å; D149-I153 PolarHBondContact O-N 3.3Å
150L96.6Very high96Very high14 Ų1472.9 Ų72.97%0.07334%0.34CS..Hα-helixtrans-61.3-45.3174.2-75.6168000112.1V15 I41 P47 M70 V146 L147 R152 I153 A154V15-L150 HydrophobicContact CG1-CD2 3.96Å; I41-L150 HydrophobicContact CD1-CD1 3.66Å; I41-L150 HydrophobicContact CD1-CD2 3.65Å; I41-L150 HydrophobicContact CD1-CG 4.18Å; I41-L150 HydrophobicContact CG1-CD2 3.77Å; I41-L150 HydrophobicContact CG2-CD2 4.34Å; P47-L150 HydrophobicContact CB-CD1 4.31Å; P47-L150 HydrophobicContact CG-CD1 4.38Å; M70-L150 HydrophobicContact SD-CD2 3.57Å; M70-L150 VanDerWaalsContact SD-CD2 3.57Å; M70-L150 HydrophobicContact SD-CG 3.87Å; V146-L150 HydrophobicContact CG2-CD1 4.15Å; V146-L150 HydrophobicContact CG2-CG 4.42Å; V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 VanDerWaalsContact O-CG 3.22Å; V146-L150 WeakPolarHBondContact O-CG 3.41Å; V146-L150 PolarHBondContact O-N 3.24Å; L147-L150 PolarHBondContact O-N 3.49Å; L150-R152 VanDerWaalsContact C-N 3.34Å; L150-R152 PolarHBondContact O-N 2.86Å; L150-I153 PolarHBondContact O-N 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.15Å; L150-A154 PolarHBondContact O-N 3.24Å
151M95.9Very high95.7Very high122 Ų12276.7 Ų76.760%0.60136%0.361SS*.Hα-helixtrans-58.9-46.6175.7-70.1175.574.200111.2L147 K148 I153 A154 Q155L147-M151 WeakPolarHBondContact O-CG 3.41Å; L147-M151 PolarHBondContact O-N 2.8Å; K148-M151 PolarHBondContact O-N 2.94Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.22Å; M151-A154 PolarHBondContact O-N 3.2Å; M151-Q155 WeakPolarHBondContact O-CG 3.38Å; M151-Q155 PolarHBondContact O-N 3.15Å
152R96.4Very high95.4Very high122 Ų12276.9 Ų76.946%0.4636%0.364SS..Hα-helixtrans-63.8-36177179.3175.558.2159.4-2.5112.8K148 D149 L150 R156K148-R152 WeakPolarHBondContact O-CB 3.29Å; K148-R152 PolarHBondContact O-N 2.89Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-CZ 3.34Å; D149-R152 IonicContact OD1-NE 3.71Å; D149-R152 IonicContact OD1-NH2 3.81Å; D149-R152 PolarHBondContact OD1-NH2 3.19Å; L150-R152 VanDerWaalsContact C-N 3.34Å; L150-R152 PolarHBondContact O-N 2.86Å; R152-R156 WeakPolarHBondContact O-CG 3.48Å; R152-R156 PolarHBondContact O-N 2.86Å; R152-R156 PolarHBondContact O-NE 3.25Å
153I96Very high95Very high11 Ų1177.8 Ų77.86%0.05637%0.365CS..Hα-helixtrans-68.2-45.7173.6-65.8159.1000109.8V15 M70 M87 D149 L150 M151 Q155 R156 V157V15-I153 HydrophobicContact CG2-CB 4.48Å; V15-I153 HydrophobicContact CG2-CG2 3.86Å; M70-I153 HydrophobicContact CE-CD1 3.98Å; M70-I153 HydrophobicContact SD-CD1 4.42Å; M87-I153 HydrophobicContact CE-CG2 3.76Å; M87-I153 HydrophobicContact CG-CD1 4.23Å; M87-I153 HydrophobicContact SD-CD1 4.08Å; M87-I153 HydrophobicContact SD-CG2 4.46Å; D149-I153 WeakPolarHBondContact O-CD1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.34Å; D149-I153 PolarHBondContact O-N 3.3Å; L150-I153 PolarHBondContact O-N 3.28Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.22Å; I153-Q155 PolarHBondContact O-N 2.88Å; I153-R156 PolarHBondContact O-N 2.68Å; I153-V157 HydrophobicContact CG2-CG2 4.35Å; I153-V157 WeakPolarHBondContact O-CG2 3.3Å; I153-V157 PolarHBondContact O-N 2.94Å
154A94.5Very high94.7Very high23 Ų2376.5 Ų76.519%0.1937%0.367CS..Hα-helixtrans-60-44.9-179.500000112.1V15 L150 M151 R156 V157 E158V15-A154 HydrophobicContact CG2-CB 3.9Å; L150-A154 WeakPolarHBondContact O-CB 3.15Å; L150-A154 PolarHBondContact O-N 3.24Å; M151-A154 PolarHBondContact O-N 3.2Å; A154-R156 VanDerWaalsContact C-N 3.35Å; A154-R156 PolarHBondContact O-N 2.63Å; A154-V157 PolarHBondContact O-N 3.34Å; A154-V157 VanDerWaalsContact O-N 3.15Å; A154-E158 PolarHBondContact O-N 3.49Å
155Q95.4Very high94.1Very high109 Ų10985 Ų8551%0.50940%0.395SS..Hα-helixtrans-59-43.5174.4-73173.9-1000112.3M151 I153 V157 E158 Q159M151-Q155 WeakPolarHBondContact O-CG 3.38Å; M151-Q155 PolarHBondContact O-N 3.15Å; I153-Q155 PolarHBondContact O-N 2.88Å; Q155-V157 VanDerWaalsContact C-N 3.31Å; Q155-V157 PolarHBondContact O-N 3.43Å; Q155-E158 PolarHBondContact O-N 3.05Å; Q155-Q159 VanDerWaalsContact O-CG 3.32Å; Q155-Q159 WeakPolarHBondContact O-CG 3.39Å; Q155-Q159 PolarHBondContact O-N 3.4Å
156R95.4Very high93.3Very high87 Ų8790.9 Ų90.933%0.32842%0.419SS..Hα-helixtrans-65-34.7176.2-76.1-178.1-68.4166.80.8112.5E86 R152 I153 A154 R160E86-R156 IonicContact OE1-NH1 3.42Å; E86-R156 IonicContact OE2-CZ 2.99Å; E86-R156 IonicContact OE2-NH1 2.96Å; E86-R156 PolarHBondContact OE2-NH1 3.47Å; E86-R156 VanDerWaalsContact OE2-NH1 3.17Å; E86-R156 IonicContact OE2-NH2 3.59Å; E86-R156 PolarHBondContact OE2-NH2 2.88Å; R152-R156 WeakPolarHBondContact O-CG 3.48Å; R152-R156 PolarHBondContact O-N 2.86Å; R152-R156 PolarHBondContact O-NE 3.25Å; I153-R156 PolarHBondContact O-N 2.68Å; A154-R156 VanDerWaalsContact C-N 3.35Å; A154-R156 PolarHBondContact O-N 2.63Å; R156-R160 VanDerWaalsContact O-CG 3.3Å; R156-R160 WeakPolarHBondContact O-CG 3.3Å; R156-R160 PolarHBondContact O-N 3.44Å
157V93.4Very high92Very high51 Ų5196.6 Ų96.631%0.30945%0.445SS..Hα-helixtrans-69-45.2175.5170.60000110.2L14 V15 I153 A154 Q155 Q159 R160 L161L14-V157 HydrophobicContact CB-CG1 4.31Å; L14-V157 HydrophobicContact CD1-CG1 4.4Å; V15-V157 HydrophobicContact CG2-CG2 4.36Å; I153-V157 HydrophobicContact CG2-CG2 4.35Å; I153-V157 WeakPolarHBondContact O-CG2 3.3Å; I153-V157 PolarHBondContact O-N 2.94Å; A154-V157 PolarHBondContact O-N 3.34Å; A154-V157 VanDerWaalsContact O-N 3.15Å; Q155-V157 VanDerWaalsContact C-N 3.31Å; Q155-V157 PolarHBondContact O-N 3.43Å; V157-Q159 PolarHBondContact O-N 2.99Å; V157-R160 PolarHBondContact O-N 2.97Å; V157-L161 HydrophobicContact CG1-CD1 4Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 VanDerWaalsContact O-CG 3.32Å; V157-L161 WeakPolarHBondContact O-CG 3.15Å; V157-L161 PolarHBondContact O-N 3.43Å
158E93.4Very high90.4Very high106 Ų10696.8 Ų96.850%0.49545%0.452SS..Hα-helixtrans-57.8-48.7176.7-170.8172.8-158.400112L14 A154 Q155 R160 L161 L162L14-E158 HydrophobicContact CD1-CB 3.57Å; L14-E158 HydrophobicContact CD1-CG 4.08Å; A154-E158 PolarHBondContact O-N 3.49Å; Q155-E158 PolarHBondContact O-N 3.05Å; E158-R160 PolarHBondContact O-N 3.2Å; E158-L161 PolarHBondContact O-N 2.91Å; E158-L162 HydrophobicContact CG-CD1 4.34Å; E158-L162 WeakPolarHBondContact O-CG 3.32Å; E158-L162 PolarHBondContact O-N 3.41Å
159Q93.6Very high88.4Confident113 Ų113101.7 Ų101.753%0.52848%0.476SS..Hα-helixtrans-56.3-47.9177.2-74.8172.8-12.300112Q155 V157 L161 L162 E163Q155-Q159 VanDerWaalsContact O-CG 3.32Å; Q155-Q159 WeakPolarHBondContact O-CG 3.39Å; Q155-Q159 PolarHBondContact O-N 3.4Å; V157-Q159 PolarHBondContact O-N 2.99Å; Q159-L161 VanDerWaalsContact C-N 3.35Å; Q159-L161 PolarHBondContact O-N 3.29Å; Q159-L162 WeakPolarHBondContact O-CB 3.32Å; Q159-L162 PolarHBondContact O-N 3.33Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; Q159-E163 WeakPolarHBondContact O-CG 3.48Å; Q159-E163 PolarHBondContact O-N 3.16Å
160R92.4Very high86.3Confident169 Ų169107.9 Ų107.964%0.63851%0.509SS*.Hα-helixtrans-61.4-41.9177.5-72.8174-177.7-133.4-3.1112.6R156 V157 E158 L162 E163 D164R156-R160 VanDerWaalsContact O-CG 3.3Å; R156-R160 WeakPolarHBondContact O-CG 3.3Å; R156-R160 PolarHBondContact O-N 3.44Å; V157-R160 PolarHBondContact O-N 2.97Å; E158-R160 PolarHBondContact O-N 3.2Å; R160-L162 VanDerWaalsContact C-N 3.27Å; R160-L162 PolarHBondContact O-N 2.95Å; R160-E163 PolarHBondContact O-N 3.19Å; R160-D164 WeakPolarHBondContact O-CB 3.35Å; R160-D164 VanDerWaalsContact O-CG 3.26Å; R160-D164 PolarHBondContact O-N 3Å
161L91Very high83.7Confident83 Ų83115.6 Ų115.644%0.43558%0.575SS.*Hα-helixtrans-64.3-33.7177.3-69.9172.7000112.1L14 V157 E158 Q159 R165L14-L161 HydrophobicContact CD1-CD1 4.44Å; L14-L161 HydrophobicContact CD2-CD1 4.21Å; V157-L161 HydrophobicContact CG1-CD1 4Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 VanDerWaalsContact O-CG 3.32Å; V157-L161 WeakPolarHBondContact O-CG 3.15Å; V157-L161 PolarHBondContact O-N 3.43Å; E158-L161 PolarHBondContact O-N 2.91Å; Q159-L161 VanDerWaalsContact C-N 3.35Å; Q159-L161 PolarHBondContact O-N 3.29Å; L161-R165 WeakPolarHBondContact O-CD 3.32Å; L161-R165 WeakPolarHBondContact O-CG 3.5Å; L161-R165 PolarHBondContact O-N 3.26Å
162L91.1Very high83.1Confident87 Ų87115.3 Ų115.346%0.45557%0.574SS.*Hα-helixtrans-71.1-42.3174.8-68.4169.9000111.5E158 Q159 R160 R165 Q166E158-L162 HydrophobicContact CG-CD1 4.34Å; E158-L162 WeakPolarHBondContact O-CG 3.32Å; E158-L162 PolarHBondContact O-N 3.41Å; Q159-L162 WeakPolarHBondContact O-CB 3.32Å; Q159-L162 PolarHBondContact O-N 3.33Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; R160-L162 VanDerWaalsContact C-N 3.27Å; R160-L162 PolarHBondContact O-N 2.95Å; L162-R165 PolarHBondContact O-N 3.25Å; L162-Q166 WeakPolarHBondContact O-CG 3.33Å; L162-Q166 PolarHBondContact O-N 3.27Å
163E90.6Very high82.4Confident113 Ų113114.9 Ų114.953%0.52858%0.58SS.*Hα-helixtrans-60.4-47.4175.7-71.1168.4179.600111.5Q159 R160 R165 Q166 Q167Q159-E163 WeakPolarHBondContact O-CG 3.48Å; Q159-E163 PolarHBondContact O-N 3.16Å; R160-E163 PolarHBondContact O-N 3.19Å; E163-R165 PolarHBondContact O-N 3.05Å; E163-Q166 PolarHBondContact O-N 3.35Å; E163-Q167 PolarHBondContact O-N 3.31Å
164D89.3Confident81.7Confident100 Ų100120.7 Ų120.754%0.53561%0.609SS.*Hα-helixtrans-62-30.7179.1-70.8-15.6000112.3R160 Q166R160-D164 WeakPolarHBondContact O-CB 3.35Å; R160-D164 VanDerWaalsContact O-CG 3.26Å; R160-D164 PolarHBondContact O-N 3Å; D164-Q166 VanDerWaalsContact C-N 3.35Å
165R85.4Confident80.9Confident214 Ų214126.4 Ų126.481%0.80863%0.634SS**Hα-helixtrans-78-19.5177-70.5171.181.6116.36.4113.5L161 L162 E163L161-R165 WeakPolarHBondContact O-CD 3.32Å; L161-R165 WeakPolarHBondContact O-CG 3.5Å; L161-R165 PolarHBondContact O-N 3.26Å; L162-R165 PolarHBondContact O-N 3.25Å; E163-R165 PolarHBondContact O-N 3.05Å
166Q80.3Confident80Confident153 Ų153127.5 Ų127.572%0.71564%0.641SS**Hα-helixtrans-95.5-10.6-179-70.2173.714.200112.6L162 E163 D164L162-Q166 WeakPolarHBondContact O-CG 3.33Å; L162-Q166 PolarHBondContact O-N 3.27Å; E163-Q166 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact C-N 3.35Å
167Q69.9Low79Confident136 Ų136130.2 Ų130.264%0.63666%0.662SS**SBendtrans-72.6124.4170.7-72.3-178.98.600109.8E163 Q169E163-Q167 PolarHBondContact O-N 3.31Å; Q167-Q169 PolarHBondContact O-N 3.44Å
168P62.5Low77.9Confident101 Ų101135.9 Ų135.966%0.65669%0.688SS**  trans-57.9136.8172.1-9.719.2000109.7D170P168-D170 PolarHBondContact O-N 2.86Å
169Q55.8Low76.7Confident199 Ų199138.2 Ų138.293%0.9370%0.702SS**  trans-68.680.7163.7-73.1-179.1-1700108.3Q167 A171Q167-Q169 PolarHBondContact O-N 3.44Å; Q169-A171 PolarHBondContact O-N 3.29Å
170D52.1Low75.3Confident152 Ų152140.3 Ų140.381%0.81372%0.717SS**  trans-82.192.8166.6-79.3-27000108.7P168P168-D170 PolarHBondContact O-N 2.86Å
171A43.6Very low73.8Confident176 Ų176137.6 Ų137.6100%1.45572%0.724SS**  trans-166.50149.800000110.4Q169Q169-A171 PolarHBondContact O-N 3.29Å

Retrieved 171 of 171 residues in 98.1 ms (Link to these results)

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