A0A3Q0KVB0_SCHMA Loading...

Ras modification protein ERF4

AlphaFold DB , UniProt , Accession A0A3Q0KVB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 137 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
1M42Very low44.3Very low253 Ų253150.5 Ų150.5100%1.24682%0.817SS**  0105.20-153.1137.6141.200106.1
2G41.6Very low45.5Very low74 Ų74144.8 Ų144.876%0.76379%0.79SS**  trans66.876.717300000117.9E4G2-E4 PolarHBondContact O-N 2.65Å
3S43.2Very low47.1Very low123 Ų123139.9 Ų139.986%0.8677%0.77SS**  trans-74.2100161.8-43.80000108.2E5S3-E5 PolarHBondContact O-N 2.74Å; S3-E5 VanDerWaalsContact O-N 3.1Å
4E49.1Very low49.5Very low189 Ų189131.9 Ų131.988%0.88373%0.729SS**  trans-68.3103170.7-105.4161.974.200109.1G2 R6G2-E4 PolarHBondContact O-N 2.65Å; E4-R6 PolarHBondContact O-N 3.02Å; E4-R6 VanDerWaalsContact O-N 3.13Å
5E40Very low52.4Low187 Ų187128.2 Ų128.287%0.87470%0.704SS**  trans-63107.9168.4-73-168.2115.500109S3S3-E5 PolarHBondContact O-N 2.74Å; S3-E5 VanDerWaalsContact O-N 3.1Å
6R47.6Very low55Low232 Ų232127.3 Ų127.388%0.87569%0.687SS**  trans-65.4131165.7-70.3-176.6-161.6146.95.8108.1E4 N8E4-R6 PolarHBondContact O-N 3.02Å; E4-R6 VanDerWaalsContact O-N 3.13Å; R6-N8 PolarHBondContact O-N 3.47Å; R6-N8 VanDerWaalsContact O-N 3.1Å
7P43.3Very low57.3Low121 Ų121120.2 Ų120.279%0.78665%0.649SS**  trans-58.4122.8171.823.7-30.2000108.3N9P7-N9 VanDerWaalsContact C-N 3.33Å; P7-N9 PolarHBondContact O-N 3.06Å
8N36.6Very low59.5Low159 Ų159119 Ų11985%0.8564%0.636SS**  trans-62.198.1176.5-136.52.3000106.5R6 S10R6-N8 PolarHBondContact O-N 3.47Å; R6-N8 VanDerWaalsContact O-N 3.1Å; N8-S10 PolarHBondContact O-N 2.9Å
9N44.7Very low61.5Low116 Ų116113 Ų11362%0.6260%0.604SS**  trans-71.681.4176.2-1617.3000106.6P7 M11P7-N9 VanDerWaalsContact C-N 3.33Å; P7-N9 PolarHBondContact O-N 3.06Å; N9-M11 HydrophobicContact CB-CG 3.86Å; N9-M11 WeakPolarHBondContact ND2-CG 3.42Å; N9-M11 PolarHBondContact ND2-SD 3Å; N9-M11 VanDerWaalsContact ND2-SD 3.39Å; N9-M11 PolarHBondContact O-N 3.07Å; N9-M11 WeakPolarHBondContact OD1-CG 3.45Å
10S43.8Very low63.3Low115 Ų115112.3 Ų112.380%0.80460%0.597SS**  trans-6574.2159.852.30000106.2N8 V12N8-S10 PolarHBondContact O-N 2.9Å; S10-V12 PolarHBondContact O-N 3.49Å
11M55.7Low64.9Low87 Ų87107.9 Ų107.943%0.42957%0.572SS.*  trans-62.6120.5-171.5-74.7178.995.500107.6N9N9-M11 HydrophobicContact CB-CG 3.86Å; N9-M11 WeakPolarHBondContact ND2-CG 3.42Å; N9-M11 PolarHBondContact ND2-SD 3Å; N9-M11 VanDerWaalsContact ND2-SD 3.39Å; N9-M11 PolarHBondContact O-N 3.07Å; N9-M11 WeakPolarHBondContact OD1-CG 3.45Å
12V58.9Low67.5Low81 Ų8197.3 Ų97.349%0.49152%0.521SS..  trans-39.1126.4155.4179.60000107.1S10 C14S10-V12 PolarHBondContact O-N 3.49Å; V12-C14 WeakPolarHBondContact O-CB 3.1Å; V12-C14 PolarHBondContact O-N 3.12Å
13P65.7Low70.1Confident82 Ų82101 Ų10153%0.53251%0.512SS..  trans-54.3116.4179.319.4-29.6000107.9H135P13-H135 PolarHBondContact O-CD2 3.44Å
14C81.4Confident72.6Confident28 Ų28100 Ų10019%0.18951%0.506CS..EExtended strand (participates in β ladder)trans-127.8118.1-168.9174.90000108.1V12 C132 I133V12-C14 WeakPolarHBondContact O-CB 3.1Å; V12-C14 PolarHBondContact O-N 3.12Å; C14-C132 VanDerWaalsContact SG-C 3.53Å; C14-C132 WeakPolarHBondContact SG-CA 3.37Å; C14-C132 WeakPolarHBondContact SG-CB 3.42Å; C14-I133 WeakPolarHBondContact CA-O 3.28Å; C14-I133 VanDerWaalsContact SG-C 3.53Å; C14-I133 PolarHBondContact SG-N 3.27Å; C14-I133 PolarHBondContact SG-O 3.33Å
15E92.3Very high74.6Confident76 Ų7695.1 Ų95.136%0.35549%0.493SS..EExtended strand (participates in β ladder)trans-69.7140.6170.9-178.8-176.1-177.900109.1I133E15-I133 HydrophobicContact CB-CB 4.1Å; E15-I133 HydrophobicContact CB-CD1 4.08Å; E15-I133 HydrophobicContact CG-CD1 4.07Å; E15-I133 PolarHBondContact N-O 3.05Å; E15-I133 WeakPolarHBondContact O-CB 3.35Å; E15-I133 PolarHBondContact O-N 3.11Å
16R93.7Very high77.1Confident114 Ų11488 Ų8843%0.4347%0.469SS..EExtended strand (participates in β ladder)trans-116.8133.1-177.4-65172-177.3-147.314.9110.4F18 E130 L131R16-F18 HydrophobicContact CB-CE2 4.28Å; R16-F18 HydrophobicContact CB-CZ 4.17Å; R16-E130 WeakPolarHBondContact CD-OE1 3.29Å; R16-E130 IonicContact CZ-OE1 3.97Å; R16-E130 IonicContact NE-OE1 3.56Å; R16-E130 IonicContact NH1-OE1 3.26Å; R16-E130 PolarHBondContact NH1-OE1 3.39Å; R16-L131 CarbonylContact C-O 3.47Å; R16-L131 WeakPolarHBondContact CA-O 3.32Å
17I95.2Very high79.4Confident7 Ų783 Ų834%0.03646%0.464CS..EExtended strand (participates in β ladder)trans-117.8142.4175.7-52.7160.8000108.3P37 Q39 L40 E130 L131 I133I17-P37 HydrophobicContact CG2-CB 3.78Å; I17-P37 HydrophobicContact CG2-CG 3.86Å; I17-Q39 HydrophobicContact CD1-CB 3.64Å; I17-Q39 HydrophobicContact CG1-CB 4.2Å; I17-L40 HydrophobicContact CD1-CD2 3.53Å; I17-L40 HydrophobicContact CD1-CG 3.87Å; I17-E130 WeakPolarHBondContact O-CA 3.39Å; I17-L131 HydrophobicContact CB-CB 4.37Å; I17-L131 PolarHBondContact N-O 3.1Å; I17-L131 PolarHBondContact O-N 3.22Å; I17-I133 HydrophobicContact CD1-CD1 3.44Å; I17-I133 VanDerWaalsContact CD1-CD1 3.44Å; I17-I133 HydrophobicContact CD1-CG1 4.06Å; I17-I133 HydrophobicContact CG1-CD1 3.92Å
18F96.6Very high81.8Confident98 Ų9879 Ų7943%0.4344%0.442SS..EExtended strand (participates in β ladder)trans-118.2118.6178-57.2-79.6000110.6R16 V128 I129 E130R16-F18 HydrophobicContact CB-CE2 4.28Å; R16-F18 HydrophobicContact CB-CZ 4.17Å; F18-V128 HydrophobicContact CB-CB 4.49Å; F18-V128 HydrophobicContact CD1-CG2 4Å; F18-I129 CarbonylContact C-O 3.55Å; F18-I129 WeakPolarHBondContact CA-O 3.35Å; F18-E130 HydrophobicContact CD1-CB 4.09Å; F18-E130 HydrophobicContact CD1-CG 4.22Å; F18-E130 HydrophobicContact CE1-CB 4.01Å; F18-E130 HydrophobicContact CE1-CG 3.75Å; F18-E130 HydrophobicContact CZ-CG 4.48Å
19I97.1Very high84.7Confident5 Ų572 Ų723%0.02640%0.404CS..EExtended strand (participates in β ladder)trans-86.8124.4171.9-51.5167.3000107.8F31 Q32 Y49 I53 V128 I129 L131I19-F31 HydrophobicContact CG2-CB 4.41Å; I19-Q32 WeakPolarHBondContact CG2-O 3.32Å; I19-Y49 HydrophobicContact CD1-CE2 3.7Å; I19-Y49 WeakPolarHBondContact CD1-OH 3.46Å; I19-Y49 HydrophobicContact CG1-CE2 4.49Å; I19-I53 HydrophobicContact CD1-CD1 3.64Å; I19-I53 HydrophobicContact CD1-CG1 4.32Å; I19-V128 WeakPolarHBondContact O-CA 3.43Å; I19-I129 HydrophobicContact CB-CB 4.07Å; I19-I129 HydrophobicContact CD1-CB 4.11Å; I19-I129 HydrophobicContact CD1-CD1 4.5Å; I19-I129 HydrophobicContact CD1-CG2 4.15Å; I19-I129 HydrophobicContact CG1-CB 4.42Å; I19-I129 PolarHBondContact N-O 3.06Å; I19-I129 PolarHBondContact O-N 3.48Å; I19-L131 HydrophobicContact CD1-CD1 3.96Å; I19-L131 HydrophobicContact CD1-CG 4.28Å
20Q96.9Very high87.2Confident99 Ų9969.7 Ų69.746%0.46339%0.387SS..PPolyproline II helixtrans-81.6161.3-174.4-61.8-60.2-34.300112.2Q32Q20-Q32 PolarHBondContact O-N 3.24Å; Q20-Q32 VanDerWaalsContact O-N 3.08Å
21R97.5Very high89.8Confident20 Ų2064.2 Ų64.28%0.07535%0.349CS..BIsolated β-bridgetrans-63.6143.6170.5-73.3-68.3-61.7-105-18.2111.6Y23 T27 A28 V29 R30 F31 Q32 L126 R127R21-Y23 HydrophobicContact CB-CD2 4.03Å; R21-Y23 HydrophobicContact CB-CE1 4.06Å; R21-Y23 HydrophobicContact CB-CE2 3.43Å; R21-Y23 VanDerWaalsContact CB-CE2 3.43Å; R21-Y23 VanDerWaalsContact CB-CZ 3.44Å; R21-Y23 HydrophobicContact CG-CE2 4.39Å; R21-T27 PolarHBondContact NH2-O 3Å; R21-A28 PolarHBondContact NH2-O 3.13Å; R21-V29 VanDerWaalsContact CZ-CA 3.41Å; R21-V29 VanDerWaalsContact NH2-CA 3.31Å; R21-R30 CarbonylContact C-O 3.43Å; R21-R30 VanDerWaalsContact CA-O 3.3Å; R21-R30 WeakPolarHBondContact CA-O 3.33Å; R21-R30 WeakPolarHBondContact CD-O 3.39Å; R21-R30 PolarHBondContact NE-O 3.33Å; R21-F31 HydrophobicContact CG-CE1 4.25Å; R21-Q32 PolarHBondContact O-NE2 3.02Å; R21-Q32 VanDerWaalsContact O-NE2 3.08Å; R21-L126 PolarHBondContact NH1-O 2.74Å; R21-R127 VanDerWaalsContact CG-O 3.3Å; R21-R127 WeakPolarHBondContact CG-O 3.23Å
22D96.9Very high91.7Very high30 Ų3063.5 Ų63.516%0.1634%0.344CS..  trans-96.3111.9166.8-179.65.9000108.3S24 R30 Q32D22-S24 VanDerWaalsContact OD1-CB 3.24Å; D22-S24 WeakPolarHBondContact OD1-CB 3.44Å; D22-S24 PolarHBondContact OD1-N 3.2Å; D22-S24 PolarHBondContact OD1-OG 3.39Å; D22-S24 PolarHBondContact OD2-OG 3.27Å; D22-R30 HydrophobicContact CB-CB 4.27Å; D22-R30 HydrophobicContact CB-CG 4.01Å; D22-R30 PolarHBondContact N-O 2.92Å; D22-R30 IonicContact OD2-NE 3.28Å; D22-R30 PolarHBondContact OD2-NE 2.69Å; D22-Q32 HydrophobicContact CB-CG 3.97Å
23Y95.7Very high93.5Very high151 Ų15161.5 Ų61.559%0.59233%0.333SS*.  trans-102.87.4179.3-64.7-70.8000112.9R21 S25 G26R21-Y23 HydrophobicContact CB-CD2 4.03Å; R21-Y23 HydrophobicContact CB-CE1 4.06Å; R21-Y23 HydrophobicContact CB-CE2 3.43Å; R21-Y23 VanDerWaalsContact CB-CE2 3.43Å; R21-Y23 VanDerWaalsContact CB-CZ 3.44Å; R21-Y23 HydrophobicContact CG-CE2 4.39Å; Y23-S25 PolarHBondContact O-N 2.83Å; Y23-G26 WeakPolarHBondContact CA-O 3.38Å; Y23-G26 PolarHBondContact O-N 3.16Å
24S95Very high94.9Very high103 Ų10363.2 Ų63.272%0.7234%0.337SS*.THydrogen-bonded Turntrans-61.9-29.4-175.360.80000113.4D22D22-S24 VanDerWaalsContact OD1-CB 3.24Å; D22-S24 WeakPolarHBondContact OD1-CB 3.44Å; D22-S24 PolarHBondContact OD1-N 3.2Å; D22-S24 PolarHBondContact OD1-OG 3.39Å; D22-S24 PolarHBondContact OD2-OG 3.27Å
25S91.7Very high95.5Very high87 Ų8767 Ų6761%0.60836%0.361SS*.THydrogen-bonded Turntrans-105.919178.862.10000113.9Y23Y23-S25 PolarHBondContact O-N 2.83Å
26G93.5Very high95.5Very high36 Ų3664.2 Ų64.237%0.37135%0.348SS..  trans108.7-152.5-179.100000113.6Y23Y23-G26 WeakPolarHBondContact CA-O 3.38Å; Y23-G26 PolarHBondContact O-N 3.16Å
27T94.2Very high95.6Very high127 Ų12759.9 Ų59.978%0.77934%0.335SS*.SBendtrans-99.5-6.1-170.854.90000114.6R21R21-T27 PolarHBondContact NH2-O 3Å
28A94.9Very high95.5Very high38 Ų3864.8 Ų64.831%0.31436%0.361SS..SBendtrans-58.5151.4178.200000112.2R21 R30 E64R21-A28 PolarHBondContact NH2-O 3.13Å; A28-R30 PolarHBondContact O-N 3.09Å; A28-E64 HydrophobicContact CB-CG 4.37Å
29V96.7Very high95.3Very high11 Ų1164 Ų647%0.06736%0.358CS..SBendtrans-62.9108.5-174.7-1750000112.6R21 F31 F60 L126R21-V29 VanDerWaalsContact CZ-CA 3.41Å; R21-V29 VanDerWaalsContact NH2-CA 3.31Å; V29-F31 HydrophobicContact CG1-CE2 4.04Å; V29-F31 HydrophobicContact CG1-CZ 4.48Å; V29-F60 HydrophobicContact CB-CB 3.94Å; V29-F60 HydrophobicContact CB-CD1 4.03Å; V29-F60 HydrophobicContact CB-CG 4Å; V29-F60 HydrophobicContact CG1-CB 3.96Å; V29-F60 HydrophobicContact CG1-CD1 3.5Å; V29-F60 HydrophobicContact CG1-CD2 3.84Å; V29-F60 HydrophobicContact CG1-CE1 3.88Å; V29-F60 HydrophobicContact CG1-CE2 4.2Å; V29-F60 HydrophobicContact CG1-CG 3.48Å; V29-F60 VanDerWaalsContact CG1-CG 3.48Å; V29-F60 HydrophobicContact CG1-CZ 4.2Å; V29-F60 WeakPolarHBondContact O-CB 3.38Å; V29-L126 HydrophobicContact CG1-CB 4.29Å; V29-L126 HydrophobicContact CG2-CD1 4.26Å
30R97.6Very high95.1Very high68 Ų6863.7 Ų63.726%0.25736%0.357SS..  trans-153.4141.4-179-164179.8-179.8810.1111.7R21 D22 A28 N57 D61R21-R30 CarbonylContact C-O 3.43Å; R21-R30 VanDerWaalsContact CA-O 3.3Å; R21-R30 WeakPolarHBondContact CA-O 3.33Å; R21-R30 WeakPolarHBondContact CD-O 3.39Å; R21-R30 PolarHBondContact NE-O 3.33Å; D22-R30 HydrophobicContact CB-CB 4.27Å; D22-R30 HydrophobicContact CB-CG 4.01Å; D22-R30 PolarHBondContact N-O 2.92Å; D22-R30 IonicContact OD2-NE 3.28Å; D22-R30 PolarHBondContact OD2-NE 2.69Å; A28-R30 PolarHBondContact O-N 3.09Å; R30-N57 WeakPolarHBondContact CA-OD1 3.25Å; R30-N57 HydrophobicContact CG-CB 4.42Å; R30-D61 IonicContact NH1-OD1 2.69Å; R30-D61 IonicContact NH1-OD2 3.57Å
31F98Very high94.9Very high0 Ų067.1 Ų67.10%037%0.365CS..BIsolated β-bridgetrans-116.7149.6179-62.3-78.8000111.9I19 R21 V29 T33 I53 N57 F60 P121 I129I19-F31 HydrophobicContact CG2-CB 4.41Å; R21-F31 HydrophobicContact CG-CE1 4.25Å; V29-F31 HydrophobicContact CG1-CE2 4.04Å; V29-F31 HydrophobicContact CG1-CZ 4.48Å; F31-T33 PolarHBondContact O-N 3.19Å; F31-I53 HydrophobicContact CB-CG2 3.88Å; F31-N57 PolarHBondContact N-OD1 3.01Å; F31-N57 PolarHBondContact O-ND2 3.42Å; F31-F60 HydrophobicContact CD2-CD2 4.29Å; F31-F60 AromaticContact CD2-CE2 3.99Å; F31-F60 HydrophobicContact CD2-CE2 3.99Å; F31-F60 HydrophobicContact CE2-CD2 4.08Å; F31-F60 AromaticContact CE2-CE2 3.52Å; F31-F60 HydrophobicContact CE2-CE2 3.52Å; F31-F60 HydrophobicContact CE2-CZ 4.07Å; F31-P121 HydrophobicContact CE2-CB 4.4Å; F31-P121 HydrophobicContact CZ-CB 4.23Å; F31-I129 HydrophobicContact CB-CD1 3.82Å; F31-I129 HydrophobicContact CB-CG1 4.41Å; F31-I129 HydrophobicContact CD1-CD1 4.02Å; F31-I129 HydrophobicContact CD1-CG1 3.65Å; F31-I129 HydrophobicContact CD2-CD1 3.63Å; F31-I129 HydrophobicContact CD2-CG1 3.85Å; F31-I129 HydrophobicContact CE1-CG1 3.77Å; F31-I129 HydrophobicContact CE2-CD1 4.18Å; F31-I129 HydrophobicContact CE2-CG1 3.95Å; F31-I129 HydrophobicContact CG-CD1 3.52Å; F31-I129 HydrophobicContact CG-CG1 3.68Å; F31-I129 HydrophobicContact CZ-CG1 3.91Å
32Q97.2Very high94.5Very high72 Ų7270.3 Ų70.334%0.33640%0.404SS..  trans-68.3121.7-178-65.5173.8-0.500111.3I19 Q20 R21 D22 Y49I19-Q32 WeakPolarHBondContact CG2-O 3.32Å; Q20-Q32 PolarHBondContact O-N 3.24Å; Q20-Q32 VanDerWaalsContact O-N 3.08Å; R21-Q32 PolarHBondContact O-NE2 3.02Å; R21-Q32 VanDerWaalsContact O-NE2 3.08Å; D22-Q32 HydrophobicContact CB-CG 3.97Å; Q32-Y49 PolarHBondContact O-OH 3.42Å
33T96.5Very high94.4Very high40 Ų4072.2 Ų72.225%0.24541%0.409CS..  trans-83.8-20.4173.555.80000112.5F31 Y49 I53 A54F31-T33 PolarHBondContact O-N 3.19Å; T33-Y49 WeakPolarHBondContact O-CE1 3.44Å; T33-I53 HydrophobicContact CG2-CB 4.1Å; T33-I53 HydrophobicContact CG2-CG2 3.93Å; T33-A54 HydrophobicContact CG2-CB 4.35Å
34L93.7Very high94.3Very high118 Ų11865.2 Ų65.262%0.61838%0.382SS*.SBendtrans-144.5148.1178.1-67.6173.2000109.9
35P93.8Very high94.3Very high106 Ų10663.3 Ų63.369%0.68837%0.367SS*.SBendcis-74.6152.3-5.932.1-35000112.3
36M94.3Very high94.5Very high18 Ų1862.7 Ų62.79%0.08936%0.361CS..PPolyproline II helixtrans-69.4131.4171.6-173.9179.779.300110.1L40 R41 I44 P46 Y49M36-L40 HydrophobicContact CE-CB 4.3Å; M36-L40 HydrophobicContact CG-CB 4.11Å; M36-L40 HydrophobicContact CG-CD1 4.32Å; M36-L40 HydrophobicContact SD-CB 4.14Å; M36-R41 HydrophobicContact CE-CB 4.2Å; M36-R41 HydrophobicContact CE-CG 3.55Å; M36-I44 HydrophobicContact SD-CG1 4.37Å; M36-P46 HydrophobicContact CE-CG 4.06Å; M36-P46 HydrophobicContact SD-CB 4.28Å; M36-P46 HydrophobicContact SD-CG 4.3Å; M36-Y49 HydrophobicContact CB-CD1 3.81Å; M36-Y49 HydrophobicContact CB-CE1 3.98Å; M36-Y49 HydrophobicContact CB-CG 4.43Å; M36-Y49 HydrophobicContact CG-CD1 3.69Å; M36-Y49 HydrophobicContact CG-CD2 4.22Å; M36-Y49 HydrophobicContact CG-CE1 4.03Å; M36-Y49 HydrophobicContact CG-CG 3.8Å; M36-Y49 HydrophobicContact SD-CD1 4.27Å; M36-Y49 HydrophobicContact SD-CG 4Å
37P94.6Very high94.7Very high24 Ų2465.4 Ų65.416%0.15637%0.367CS..PPolyproline II helixtrans-53139.5175-26.733.5000112.6I17 Q39 L40I17-P37 HydrophobicContact CG2-CB 3.78Å; I17-P37 HydrophobicContact CG2-CG 3.86Å; P37-Q39 PolarHBondContact O-N 3.5Å; P37-L40 HydrophobicContact CB-CD1 4.33Å; P37-L40 HydrophobicContact CB-CG 4.28Å; P37-L40 HydrophobicContact CG-CD1 4.15Å; P37-L40 PolarHBondContact O-N 2.91Å; P37-L40 VanDerWaalsContact O-N 3.12Å
38L93.9Very high94.8Very high110 Ų11066.6 Ų66.658%0.57636%0.357SS*.G310 helixtrans-60.1-35.2-174.9-65.6178.6000112.2L40 R41L38-L40 PolarHBondContact O-N 3.47Å; L38-R41 VanDerWaalsContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CG 3.38Å; L38-R41 PolarHBondContact O-N 2.99Å
39Q92.5Very high94.9Very high80 Ų8064.9 Ų64.937%0.37434%0.343SS..G310 helixtrans-68.9-13.6-178.3-54.8101.1-5700114I17 P37 R43 I133I17-Q39 HydrophobicContact CD1-CB 3.64Å; I17-Q39 HydrophobicContact CG1-CB 4.2Å; P37-Q39 PolarHBondContact O-N 3.5Å; Q39-R43 PolarHBondContact O-NH1 3.33Å; Q39-I133 HydrophobicContact CB-CD1 4.05Å
40L93Very high94.9Very high0 Ų065.4 Ų65.40%035%0.348CS..G310 helixtrans-91.2-13.3173.5-58.9-177.9000112.3I17 M36 P37 L38 G42 R43 I44 Y49 L116 L131I17-L40 HydrophobicContact CD1-CD2 3.53Å; I17-L40 HydrophobicContact CD1-CG 3.87Å; M36-L40 HydrophobicContact CE-CB 4.3Å; M36-L40 HydrophobicContact CG-CB 4.11Å; M36-L40 HydrophobicContact CG-CD1 4.32Å; M36-L40 HydrophobicContact SD-CB 4.14Å; P37-L40 HydrophobicContact CB-CD1 4.33Å; P37-L40 HydrophobicContact CB-CG 4.28Å; P37-L40 HydrophobicContact CG-CD1 4.15Å; P37-L40 PolarHBondContact O-N 2.91Å; P37-L40 VanDerWaalsContact O-N 3.12Å; L38-L40 PolarHBondContact O-N 3.47Å; L40-G42 PolarHBondContact O-N 3.48Å; L40-R43 PolarHBondContact O-N 2.98Å; L40-I44 HydrophobicContact CB-CD1 4.37Å; L40-I44 HydrophobicContact CB-CG1 4.12Å; L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 PolarHBondContact O-N 2.81Å; L40-Y49 HydrophobicContact CD1-CD2 3.85Å; L40-Y49 HydrophobicContact CD1-CE2 3.78Å; L40-L116 HydrophobicContact CD2-CD1 3.8Å; L40-L116 HydrophobicContact CD2-CD2 3.77Å; L40-L116 HydrophobicContact CD2-CG 4.46Å; L40-L131 HydrophobicContact CD1-CD1 3.59Å; L40-L131 HydrophobicContact CD2-CD1 4.06Å; L40-L131 HydrophobicContact CG-CD1 4.43Å
41R91.1Very high94.9Very high170 Ų17066.9 Ų66.964%0.64236%0.361SS*.THydrogen-bonded Turntrans-62.1129.7177.4-67.5-177.3177.2-177.22.4109.3M36 L38 R43M36-R41 HydrophobicContact CE-CB 4.2Å; M36-R41 HydrophobicContact CE-CG 3.55Å; L38-R41 VanDerWaalsContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CG 3.38Å; L38-R41 PolarHBondContact O-N 2.99Å; R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.23Å
42G90.8Very high94.9Very high87 Ų8767 Ų6790%0.89736%0.362SS*.THydrogen-bonded Turntrans85.9-12.2-177.100000114.8L40L40-G42 PolarHBondContact O-N 3.48Å
43R92.9Very high94.9Very high70 Ų7063.6 Ų63.626%0.26435%0.346SS..THydrogen-bonded Turntrans-96.6-46172.5-66.7-168.3172.6125.4-8.8112.5Q39 L40 R41 N114 L116Q39-R43 PolarHBondContact O-NH1 3.33Å; L40-R43 PolarHBondContact O-N 2.98Å; R41-R43 VanDerWaalsContact C-N 3.29Å; R41-R43 PolarHBondContact O-N 3.23Å; R43-N114 WeakPolarHBondContact O-CB 3.44Å; R43-N114 PolarHBondContact O-OD1 3.28Å; R43-L116 HydrophobicContact CB-CD1 4.27Å
44I95.1Very high95Very high5 Ų563.9 Ų63.93%0.02635%0.353CS..SBendtrans-131.6141.9177.457.8177000109.9M36 L40 Y49 L110 F111 N114 L116M36-I44 HydrophobicContact SD-CG1 4.37Å; L40-I44 HydrophobicContact CB-CD1 4.37Å; L40-I44 HydrophobicContact CB-CG1 4.12Å; L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 PolarHBondContact O-N 2.81Å; I44-Y49 HydrophobicContact CD1-CD2 3.92Å; I44-Y49 HydrophobicContact CD1-CG 4.34Å; I44-L110 HydrophobicContact CG2-CD1 4.08Å; I44-L110 HydrophobicContact CG2-CG 4.37Å; I44-F111 HydrophobicContact CD1-CE1 3.99Å; I44-N114 HydrophobicContact CG2-CB 3.89Å; I44-L116 HydrophobicContact CD1-CD1 4.2Å; I44-L116 HydrophobicContact CG1-CD1 4.42Å; I44-L116 HydrophobicContact CG2-CD1 3.9Å
45P95.3Very high95.2Very high63 Ų6363.3 Ų63.341%0.40934%0.343SS..  trans-73.2145.1178.232.2-35.9000110.2N47 R48 Y49P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 WeakPolarHBondContact CB-OD1 3.47Å; P45-N47 PolarHBondContact O-N 2.82Å; P45-N47 VanDerWaalsContact O-N 3.16Å; P45-R48 HydrophobicContact CG-CB 3.81Å; P45-R48 HydrophobicContact CG-CG 3.46Å; P45-R48 VanDerWaalsContact CG-CG 3.46Å; P45-R48 PolarHBondContact O-N 2.85Å; P45-R48 VanDerWaalsContact O-N 3.09Å; P45-Y49 PolarHBondContact O-N 2.96Å; P45-Y49 VanDerWaalsContact O-N 3.13Å
46P95.7Very high95.4Very high73 Ų7358.3 Ų58.347%0.47431%0.31SS..Hα-helixtrans-58.7-32.3-171.8-26.934.4000115.2M36 A50M36-P46 HydrophobicContact CE-CG 4.06Å; M36-P46 HydrophobicContact SD-CB 4.28Å; M36-P46 HydrophobicContact SD-CG 4.3Å; P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 3.4Å
47N96.2Very high95.6Very high94 Ų9457.5 Ų57.550%0.50331%0.306SS..Hα-helixtrans-65.5-47.3175.761.3-30000111.8P45 Y49 A50 D51P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 WeakPolarHBondContact CB-OD1 3.47Å; P45-N47 PolarHBondContact O-N 2.82Å; P45-N47 VanDerWaalsContact O-N 3.16Å; N47-Y49 VanDerWaalsContact C-N 3.3Å; N47-Y49 PolarHBondContact O-N 3.06Å; N47-A50 PolarHBondContact O-N 3.05Å; N47-D51 WeakPolarHBondContact O-CB 3.4Å; N47-D51 PolarHBondContact O-N 2.89Å
48R96.4Very high95.7Very high152 Ų15264 Ų6457%0.57433%0.332SS*.Hα-helixtrans-63.8-37.1177.9-65.5-72.6-170.2150.22.6111.7P45 A52 L110P45-R48 HydrophobicContact CG-CB 3.81Å; P45-R48 HydrophobicContact CG-CG 3.46Å; P45-R48 VanDerWaalsContact CG-CG 3.46Å; P45-R48 PolarHBondContact O-N 2.85Å; P45-R48 VanDerWaalsContact O-N 3.09Å; R48-A52 WeakPolarHBondContact O-CB 3.34Å; R48-A52 PolarHBondContact O-N 3.47Å; R48-L110 HydrophobicContact CB-CD1 4.04Å; R48-L110 HydrophobicContact CB-CD2 4.21Å
49Y97Very high95.9Very high2 Ų260 Ų601%0.00831%0.311CS..Hα-helixtrans-59.5-55171.3168.8-99.7000110.9I19 Q32 T33 M36 L40 I44 P45 N47 D51 A52 I53I19-Y49 HydrophobicContact CD1-CE2 3.7Å; I19-Y49 WeakPolarHBondContact CD1-OH 3.46Å; I19-Y49 HydrophobicContact CG1-CE2 4.49Å; Q32-Y49 PolarHBondContact O-OH 3.42Å; T33-Y49 WeakPolarHBondContact O-CE1 3.44Å; M36-Y49 HydrophobicContact CB-CD1 3.81Å; M36-Y49 HydrophobicContact CB-CE1 3.98Å; M36-Y49 HydrophobicContact CB-CG 4.43Å; M36-Y49 HydrophobicContact CG-CD1 3.69Å; M36-Y49 HydrophobicContact CG-CD2 4.22Å; M36-Y49 HydrophobicContact CG-CE1 4.03Å; M36-Y49 HydrophobicContact CG-CG 3.8Å; M36-Y49 HydrophobicContact SD-CD1 4.27Å; M36-Y49 HydrophobicContact SD-CG 4Å; L40-Y49 HydrophobicContact CD1-CD2 3.85Å; L40-Y49 HydrophobicContact CD1-CE2 3.78Å; I44-Y49 HydrophobicContact CD1-CD2 3.92Å; I44-Y49 HydrophobicContact CD1-CG 4.34Å; P45-Y49 PolarHBondContact O-N 2.96Å; P45-Y49 VanDerWaalsContact O-N 3.13Å; N47-Y49 VanDerWaalsContact C-N 3.3Å; N47-Y49 PolarHBondContact O-N 3.06Å; Y49-D51 VanDerWaalsContact C-N 3.31Å; Y49-D51 PolarHBondContact O-N 2.89Å; Y49-A52 PolarHBondContact O-N 3.07Å; Y49-I53 HydrophobicContact CD2-CG1 4.29Å; Y49-I53 HydrophobicContact CE1-CG1 4.36Å; Y49-I53 HydrophobicContact CE2-CD1 4.25Å; Y49-I53 HydrophobicContact CE2-CG1 3.88Å; Y49-I53 WeakPolarHBondContact O-CG1 3.21Å; Y49-I53 PolarHBondContact O-N 3.43Å; Y49-I53 VanDerWaalsContact O-N 3.07Å
50A97.4Very high96.2Very high22 Ų2256.2 Ų56.218%0.18229%0.293CS..Hα-helixtrans-59.8-41.8-178.800000111.8P46 N47 I53 A54P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 3.4Å; N47-A50 PolarHBondContact O-N 3.05Å; A50-I53 PolarHBondContact O-N 3.37Å; A50-A54 WeakPolarHBondContact O-CB 3.45Å; A50-A54 PolarHBondContact O-N 3.4Å
51D97.7Very high96.3Very high98 Ų9859.7 Ų59.752%0.52431%0.312SS..Hα-helixtrans-62.7-41.7176.8-67.3-22.8000112N47 Y49 A54 R55N47-D51 WeakPolarHBondContact O-CB 3.4Å; N47-D51 PolarHBondContact O-N 2.89Å; Y49-D51 VanDerWaalsContact C-N 3.31Å; Y49-D51 PolarHBondContact O-N 2.89Å; D51-A54 PolarHBondContact O-N 3.43Å; D51-R55 WeakPolarHBondContact O-CB 3.42Å; D51-R55 PolarHBondContact O-N 3.12Å
52A97.7Very high96.6Very high3 Ų354.6 Ų54.63%0.02530%0.295CS..Hα-helixtrans-62.7-47.6177.600000111.5R48 Y49 R55 L56 L106 L110 F111R48-A52 WeakPolarHBondContact O-CB 3.34Å; R48-A52 PolarHBondContact O-N 3.47Å; Y49-A52 PolarHBondContact O-N 3.07Å; A52-R55 PolarHBondContact O-N 3.24Å; A52-L56 PolarHBondContact O-N 3.18Å; A52-L106 HydrophobicContact CB-CD1 4.16Å; A52-L106 HydrophobicContact CB-CD2 3.8Å; A52-L110 HydrophobicContact CB-CD2 4Å; A52-F111 HydrophobicContact CB-CE2 4.38Å; A52-F111 HydrophobicContact CB-CZ 4.12Å
53I98Very high96.8Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-67.9-39.7177.7-55.3-51000111I19 F31 T33 Y49 A50 R55 L56 N57 M118 I129I19-I53 HydrophobicContact CD1-CD1 3.64Å; I19-I53 HydrophobicContact CD1-CG1 4.32Å; F31-I53 HydrophobicContact CB-CG2 3.88Å; T33-I53 HydrophobicContact CG2-CB 4.1Å; T33-I53 HydrophobicContact CG2-CG2 3.93Å; Y49-I53 HydrophobicContact CD2-CG1 4.29Å; Y49-I53 HydrophobicContact CE1-CG1 4.36Å; Y49-I53 HydrophobicContact CE2-CD1 4.25Å; Y49-I53 HydrophobicContact CE2-CG1 3.88Å; Y49-I53 WeakPolarHBondContact O-CG1 3.21Å; Y49-I53 PolarHBondContact O-N 3.43Å; Y49-I53 VanDerWaalsContact O-N 3.07Å; A50-I53 PolarHBondContact O-N 3.37Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.27Å; I53-L56 PolarHBondContact O-N 2.82Å; I53-N57 PolarHBondContact O-N 3.41Å; I53-M118 HydrophobicContact CD1-CE 3.93Å; I53-I129 HydrophobicContact CD1-CD1 3.82Å
54A98Very high96.8Very high46 Ų4651.8 Ų51.838%0.3826%0.263SS..Hα-helixtrans-62.5-37.8176.300000112.4T33 A50 D51 N57 K58T33-A54 HydrophobicContact CG2-CB 4.35Å; A50-A54 WeakPolarHBondContact O-CB 3.45Å; A50-A54 PolarHBondContact O-N 3.4Å; D51-A54 PolarHBondContact O-N 3.43Å; A54-N57 PolarHBondContact O-N 3.11Å; A54-K58 PolarHBondContact O-N 2.84Å
55R98.1Very high96.7Very high107 Ų10754.7 Ų54.740%0.40428%0.281SS..Hα-helixtrans-60.8-43.8173.8179.6-178.8176.3-171.5-0.1111.7D51 A52 I53 K58 L59 D105D51-R55 WeakPolarHBondContact O-CB 3.42Å; D51-R55 PolarHBondContact O-N 3.12Å; A52-R55 PolarHBondContact O-N 3.24Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.27Å; R55-K58 PolarHBondContact O-N 3.36Å; R55-L59 PolarHBondContact O-N 2.89Å; R55-D105 IonicContact CZ-OD2 2.65Å; R55-D105 VanDerWaalsContact CZ-OD2 3.28Å; R55-D105 IonicContact NH1-OD2 2.73Å; R55-D105 PolarHBondContact NH1-OD2 3.48Å; R55-D105 IonicContact NH2-OD2 3.12Å; R55-D105 PolarHBondContact NH2-OD2 3.44Å
56L98.1Very high96.5Very high0 Ų058.8 Ų58.80%030%0.298CS..Hα-helixtrans-65.6-45.8176.1-63.9177000111.2A52 I53 K58 L59 F60 V99 A102 V103 L106 M118 I129A52-L56 PolarHBondContact O-N 3.18Å; I53-L56 PolarHBondContact O-N 2.82Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.07Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å; L56-L59 PolarHBondContact O-N 2.81Å; L56-F60 HydrophobicContact CB-CD2 4.49Å; L56-F60 HydrophobicContact CB-CE2 4.18Å; L56-F60 WeakPolarHBondContact O-CD2 3.24Å; L56-F60 PolarHBondContact O-N 3.21Å; L56-V99 HydrophobicContact CD2-CG1 4.21Å; L56-A102 HydrophobicContact CD2-CB 4.2Å; L56-V103 HydrophobicContact CD1-CG2 4.41Å; L56-V103 HydrophobicContact CD2-CG2 3.81Å; L56-L106 HydrophobicContact CD1-CD1 4.43Å; L56-L106 HydrophobicContact CD2-CD1 4.15Å; L56-L106 HydrophobicContact CG-CD1 4.14Å; L56-M118 HydrophobicContact CD1-CE 4.11Å; L56-M118 HydrophobicContact CD1-SD 3.64Å; L56-I129 HydrophobicContact CD1-CD1 4.02Å
57N98Very high96.3Very high2 Ų258.2 Ų58.21%0.01129%0.291CS..Hα-helixtrans-56-40.8176.4-74.1-20.2000111.9R30 F31 I53 A54 L59 F60 D61R30-N57 WeakPolarHBondContact CA-OD1 3.25Å; R30-N57 HydrophobicContact CG-CB 4.42Å; F31-N57 PolarHBondContact N-OD1 3.01Å; F31-N57 PolarHBondContact O-ND2 3.42Å; I53-N57 PolarHBondContact O-N 3.41Å; A54-N57 PolarHBondContact O-N 3.11Å; N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 3.4Å; N57-F60 PolarHBondContact O-N 3.33Å; N57-F60 VanDerWaalsContact O-N 3.15Å; N57-D61 WeakPolarHBondContact O-CB 3.43Å; N57-D61 PolarHBondContact O-N 2.8Å
58K97.8Very high96.1Very high159 Ų15958.4 Ų58.469%0.69130%0.3SS*.Hα-helixtrans-61.1-37.1176.1-175.1179.7177.6-178.20112.9A54 R55 L56 E62A54-K58 PolarHBondContact O-N 2.84Å; R55-K58 PolarHBondContact O-N 3.36Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.07Å; K58-E62 PolarHBondContact O-N 3.49Å
59L98Very high95.8Very high26 Ų2654.8 Ų54.814%0.13630%0.297CS..Hα-helixtrans-70.8-37175.7-69.3169000111.4R55 L56 N57 E62 A63 V95 K98 V99 A102R55-L59 PolarHBondContact O-N 2.89Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å; L56-L59 PolarHBondContact O-N 2.81Å; N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 3.4Å; L59-E62 WeakPolarHBondContact O-CB 3.5Å; L59-E62 PolarHBondContact O-N 3.07Å; L59-A63 PolarHBondContact O-N 3.1Å; L59-V95 WeakPolarHBondContact O-CG1 3.17Å; L59-K98 HydrophobicContact CD2-CB 4.18Å; L59-K98 HydrophobicContact CD2-CD 4.5Å; L59-V99 HydrophobicContact CB-CG2 3.7Å; L59-V99 HydrophobicContact CD1-CG2 4.13Å; L59-A102 HydrophobicContact CD1-CB 3.57Å
60F97.4Very high95.7Very high1 Ų155.3 Ų55.30%0.00430%0.301CS..Hα-helixtrans-68.1-39.4173.4-69.3-57.3000112.3V29 F31 L56 N57 E62 A63 E64 L96 V99 P121 L126V29-F60 HydrophobicContact CB-CB 3.94Å; V29-F60 HydrophobicContact CB-CD1 4.03Å; V29-F60 HydrophobicContact CB-CG 4Å; V29-F60 HydrophobicContact CG1-CB 3.96Å; V29-F60 HydrophobicContact CG1-CD1 3.5Å; V29-F60 HydrophobicContact CG1-CD2 3.84Å; V29-F60 HydrophobicContact CG1-CE1 3.88Å; V29-F60 HydrophobicContact CG1-CE2 4.2Å; V29-F60 HydrophobicContact CG1-CG 3.48Å; V29-F60 VanDerWaalsContact CG1-CG 3.48Å; V29-F60 HydrophobicContact CG1-CZ 4.2Å; V29-F60 WeakPolarHBondContact O-CB 3.38Å; F31-F60 HydrophobicContact CD2-CD2 4.29Å; F31-F60 AromaticContact CD2-CE2 3.99Å; F31-F60 HydrophobicContact CD2-CE2 3.99Å; F31-F60 HydrophobicContact CE2-CD2 4.08Å; F31-F60 AromaticContact CE2-CE2 3.52Å; F31-F60 HydrophobicContact CE2-CE2 3.52Å; F31-F60 HydrophobicContact CE2-CZ 4.07Å; L56-F60 HydrophobicContact CB-CD2 4.49Å; L56-F60 HydrophobicContact CB-CE2 4.18Å; L56-F60 WeakPolarHBondContact O-CD2 3.24Å; L56-F60 PolarHBondContact O-N 3.21Å; N57-F60 PolarHBondContact O-N 3.33Å; N57-F60 VanDerWaalsContact O-N 3.15Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.28Å; F60-A63 WeakPolarHBondContact O-CB 3.39Å; F60-A63 PolarHBondContact O-N 2.83Å; F60-A63 VanDerWaalsContact O-N 3.1Å; F60-E64 WeakPolarHBondContact O-CG 3.17Å; F60-E64 PolarHBondContact O-N 2.8Å; F60-L96 HydrophobicContact CE1-CD2 4.3Å; F60-V99 HydrophobicContact CD1-CG2 4.31Å; F60-V99 HydrophobicContact CE1-CG1 4.2Å; F60-V99 HydrophobicContact CE1-CG2 3.94Å; F60-V99 HydrophobicContact CE2-CG1 4.35Å; F60-V99 HydrophobicContact CZ-CG1 3.72Å; F60-V99 HydrophobicContact CZ-CG2 4.15Å; F60-P121 HydrophobicContact CZ-CB 4.29Å; F60-P121 HydrophobicContact CZ-CG 4.5Å; F60-L126 HydrophobicContact CE1-CD1 4.49Å; F60-L126 HydrophobicContact CE1-CD2 3.68Å; F60-L126 HydrophobicContact CZ-CD2 3.88Å
61D96.1Very high95.5Very high73 Ų7358 Ų5839%0.3932%0.317SS..Hα-helixtrans-59.3-41.2171.4-65.9-26.9000110.2R30 N57 E64 T65R30-D61 IonicContact NH1-OD1 2.69Å; R30-D61 IonicContact NH1-OD2 3.57Å; N57-D61 WeakPolarHBondContact O-CB 3.43Å; N57-D61 PolarHBondContact O-N 2.8Å; D61-E64 PolarHBondContact O-N 3.23Å; D61-T65 WeakPolarHBondContact O-CG2 3.22Å; D61-T65 PolarHBondContact O-N 2.79Å
62E96.2Very high95.4Very high63 Ų6357.7 Ų57.729%0.29432%0.315SS..Hα-helixtrans-60.2-42.9172.9-176.2-175.615300111.8K58 L59 F60 E64 T65 H91 V95 K98K58-E62 PolarHBondContact O-N 3.49Å; L59-E62 WeakPolarHBondContact O-CB 3.5Å; L59-E62 PolarHBondContact O-N 3.07Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.28Å; E62-E64 PolarHBondContact O-N 2.94Å; E62-T65 WeakPolarHBondContact O-CB 3.37Å; E62-T65 PolarHBondContact O-N 2.75Å; E62-T65 PolarHBondContact O-OG1 2.8Å; E62-H91 PolarHBondContact O-CE1 3.21Å; E62-V95 HydrophobicContact CB-CG1 4.28Å; E62-V95 HydrophobicContact CG-CG1 4.36Å; E62-V95 HydrophobicContact CG-CG2 4.26Å; E62-K98 IonicContact OE1-NZ 2.92Å; E62-K98 PolarHBondContact OE1-NZ 3.45Å
63A95.5Very high95.2Very high7 Ų759 Ų596%0.05832%0.321CS..Hα-helixtrans-61.2-33.1-179.100000112.6L59 F60 T65 Y92 V95L59-A63 PolarHBondContact O-N 3.1Å; F60-A63 WeakPolarHBondContact O-CB 3.39Å; F60-A63 PolarHBondContact O-N 2.83Å; F60-A63 VanDerWaalsContact O-N 3.1Å; A63-T65 VanDerWaalsContact C-N 3.32Å; A63-Y92 HydrophobicContact CB-CD2 3.74Å; A63-Y92 HydrophobicContact CB-CE2 3.69Å; A63-Y92 HydrophobicContact CB-CG 4.49Å; A63-V95 HydrophobicContact CB-CB 3.88Å; A63-V95 HydrophobicContact CB-CG1 3.68Å
64E93.1Very high95Very high91 Ų9162.6 Ų62.643%0.42534%0.34SS..THydrogen-bonded Turntrans-82.2-6.1177.7-62.1-67.2161.400113.1A28 F60 D61 E62 I66A28-E64 HydrophobicContact CB-CG 4.37Å; F60-E64 WeakPolarHBondContact O-CG 3.17Å; F60-E64 PolarHBondContact O-N 2.8Å; D61-E64 PolarHBondContact O-N 3.23Å; E62-E64 PolarHBondContact O-N 2.94Å; E64-I66 PolarHBondContact O-N 2.86Å
65T93.4Very high94.8Very high67 Ų6764.7 Ų64.741%0.41135%0.345SS..  trans-69129.6-179.761.60000112.4D61 E62 A63D61-T65 WeakPolarHBondContact O-CG2 3.22Å; D61-T65 PolarHBondContact O-N 2.79Å; E62-T65 WeakPolarHBondContact O-CB 3.37Å; E62-T65 PolarHBondContact O-N 2.75Å; E62-T65 PolarHBondContact O-OG1 2.8Å; A63-T65 VanDerWaalsContact C-N 3.32Å
66I91.2Very high94.7Very high148 Ų14864.8 Ų64.876%0.75935%0.348SS*.  trans-94.8109.6173-57.1175.8000108.2E64E64-I66 PolarHBondContact O-N 2.86Å
67N91.3Very high94.5Very high61 Ų6164.8 Ų64.833%0.32635%0.348SS..  trans-113172.2171.262.451.2000110.5S69 V70 C71N67-S69 PolarHBondContact O-N 2.98Å; N67-S69 WeakPolarHBondContact OD1-CA 3.26Å; N67-S69 VanDerWaalsContact OD1-CB 3.29Å; N67-S69 WeakPolarHBondContact OD1-CB 3.49Å; N67-S69 PolarHBondContact OD1-N 3.45Å; N67-S69 VanDerWaalsContact OD1-N 3.07Å; N67-V70 PolarHBondContact O-N 3.38Å; N67-V70 VanDerWaalsContact O-N 3.12Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.36Å; N67-V70 PolarHBondContact OD1-N 3.37Å; N67-C71 PolarHBondContact O-N 3.36Å
68S91.2Very high94.4Very high99 Ų9968.4 Ų68.469%0.69237%0.373SS*.Hα-helixtrans-59.2-34.8-179.353.70000112.8C71 L72S68-C71 WeakPolarHBondContact O-CB 3.29Å; S68-C71 PolarHBondContact O-N 3.02Å; S68-L72 WeakPolarHBondContact O-CG 3.2Å; S68-L72 PolarHBondContact O-N 3.35Å
69S91.8Very high94.3Very high75 Ų7566.9 Ų66.952%0.52437%0.371SS..Hα-helixtrans-66.4-39.9175.7-172.30000112.2N67 C71 L72 E73N67-S69 PolarHBondContact O-N 2.98Å; N67-S69 WeakPolarHBondContact OD1-CA 3.26Å; N67-S69 VanDerWaalsContact OD1-CB 3.29Å; N67-S69 WeakPolarHBondContact OD1-CB 3.49Å; N67-S69 PolarHBondContact OD1-N 3.45Å; N67-S69 VanDerWaalsContact OD1-N 3.07Å; S69-C71 VanDerWaalsContact C-N 3.34Å; S69-L72 PolarHBondContact O-N 2.95Å; S69-E73 WeakPolarHBondContact O-CB 3.35Å; S69-E73 PolarHBondContact O-N 3.29Å
70V93.2Very high94.2Very high13 Ų1368 Ų688%0.07938%0.38CS..Hα-helixtrans-65.3-39.5175.1174.30000110.6N67 L72 E73 N74 H91N67-V70 PolarHBondContact O-N 3.38Å; N67-V70 VanDerWaalsContact O-N 3.12Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.36Å; N67-V70 PolarHBondContact OD1-N 3.37Å; V70-L72 PolarHBondContact O-N 2.65Å; V70-E73 WeakPolarHBondContact O-CB 3.44Å; V70-E73 PolarHBondContact O-N 2.91Å; V70-N74 WeakPolarHBondContact O-CB 3.49Å; V70-N74 PolarHBondContact O-N 2.86Å; V70-H91 HydrophobicContact CG2-CB 3.62Å; V70-H91 VanDerWaalsContact CG2-CG 3.41Å
71C94.1Very high94.2Very high78 Ų7871.5 Ų71.553%0.52741%0.408SS..Hα-helixtrans-61-45175.1-176.10000111.6N67 S68 S69 N74 L75N67-C71 PolarHBondContact O-N 3.36Å; S68-C71 WeakPolarHBondContact O-CB 3.29Å; S68-C71 PolarHBondContact O-N 3.02Å; S69-C71 VanDerWaalsContact C-N 3.34Å; C71-N74 PolarHBondContact O-N 3.21Å; C71-L75 WeakPolarHBondContact O-CB 3.45Å; C71-L75 PolarHBondContact O-N 3.46Å
72L94.6Very high94Very high93 Ų9374.3 Ų74.349%0.48742%0.415SS..Hα-helixtrans-64.6-41.8174.6-68.7176000112.1S68 S69 V70 N74 L75 F76S68-L72 WeakPolarHBondContact O-CG 3.2Å; S68-L72 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 2.95Å; V70-L72 PolarHBondContact O-N 2.65Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.01Å; L72-L75 WeakPolarHBondContact O-CB 3.22Å; L72-L75 PolarHBondContact O-N 2.84Å; L72-F76 WeakPolarHBondContact O-CD2 3.22Å; L72-F76 PolarHBondContact O-N 3.47Å
73E94.2Very high94Very high30 Ų3076.7 Ų76.714%0.1443%0.429CS..Hα-helixtrans-57.2-46.8175.5-173.7177.89500111.2S69 V70 L75 F76 G77 F85 T90 H91 K94S69-E73 WeakPolarHBondContact O-CB 3.35Å; S69-E73 PolarHBondContact O-N 3.29Å; V70-E73 WeakPolarHBondContact O-CB 3.44Å; V70-E73 PolarHBondContact O-N 2.91Å; E73-L75 PolarHBondContact O-N 3.38Å; E73-F76 PolarHBondContact O-N 3.47Å; E73-G77 PolarHBondContact O-N 3.04Å; E73-F85 HydrophobicContact CG-CE1 3.71Å; E73-F85 HydrophobicContact CG-CZ 3.97Å; E73-T90 VanDerWaalsContact OE1-CA 3.25Å; E73-T90 WeakPolarHBondContact OE1-CA 3.44Å; E73-T90 VanDerWaalsContact OE1-CB 3.31Å; E73-T90 WeakPolarHBondContact OE1-CB 3.36Å; E73-T90 WeakPolarHBondContact OE2-CA 3.35Å; E73-H91 VanDerWaalsContact CD-N 3.27Å; E73-H91 PolarHBondContact OE1-N 2.82Å; E73-H91 PolarHBondContact OE2-N 3.02Å; E73-K94 IonicContact OE2-NZ 2.65Å
74N93.4Very high93.9Very high76 Ų7678.6 Ų78.641%0.40644%0.437SS..Hα-helixtrans-64.8-39176.1-71.7-18.7000112.2V70 C71 L72 G77 C78V70-N74 WeakPolarHBondContact O-CB 3.49Å; V70-N74 PolarHBondContact O-N 2.86Å; C71-N74 PolarHBondContact O-N 3.21Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.01Å; N74-G77 PolarHBondContact O-N 3.32Å; N74-C78 PolarHBondContact O-N 3.31Å; N74-C78 PolarHBondContact O-SG 3.38Å; N74-C78 VanDerWaalsContact O-SG 3.36Å
75L95.2Very high93.8Very high90 Ų9076.9 Ų76.947%0.47143%0.429SS..Hα-helixtrans-62.1-47.7175.7179.162.6000111.5C71 L72 E73 G77 C78 L79C71-L75 WeakPolarHBondContact O-CB 3.45Å; C71-L75 PolarHBondContact O-N 3.46Å; L72-L75 WeakPolarHBondContact O-CB 3.22Å; L72-L75 PolarHBondContact O-N 2.84Å; E73-L75 PolarHBondContact O-N 3.38Å; L75-G77 VanDerWaalsContact C-N 3.32Å; L75-G77 PolarHBondContact O-N 3.34Å; L75-C78 PolarHBondContact O-N 2.92Å; L75-L79 HydrophobicContact CD1-CD1 4.35Å; L75-L79 HydrophobicContact CD1-CG 4.38Å; L75-L79 HydrophobicContact CG-CD1 4.13Å; L75-L79 WeakPolarHBondContact O-CG 3.04Å; L75-L79 PolarHBondContact O-N 2.93Å
76F94Very high93.8Very high108 Ų10880.4 Ų80.447%0.47444%0.444SS..Hα-helixtrans-64.9-36.8175.3-76.6-64.9000112.2L72 E73 L79 T80 I84L72-F76 WeakPolarHBondContact O-CD2 3.22Å; L72-F76 PolarHBondContact O-N 3.47Å; E73-F76 PolarHBondContact O-N 3.47Å; F76-L79 PolarHBondContact O-N 2.84Å; F76-T80 WeakPolarHBondContact O-CB 3.46Å; F76-T80 WeakPolarHBondContact O-CG2 3.49Å; F76-T80 PolarHBondContact O-N 2.63Å; F76-T80 PolarHBondContact O-OG1 2.65Å; F76-I84 HydrophobicContact CB-CD1 4.15Å
77G95Very high93.9Very high0 Ų079.1 Ų79.10%045%0.447CS..Hα-helixtrans-53.1-56.2169.100000110.7E73 N74 L75 L79 T80 A81 Y82E73-G77 PolarHBondContact O-N 3.04Å; N74-G77 PolarHBondContact O-N 3.32Å; L75-G77 VanDerWaalsContact C-N 3.32Å; L75-G77 PolarHBondContact O-N 3.34Å; G77-L79 PolarHBondContact O-N 2.85Å; G77-T80 CarbonylContact O-C 3.55Å; G77-T80 PolarHBondContact O-N 2.64Å; G77-T80 PolarHBondContact O-OG1 2.79Å; G77-A81 PolarHBondContact O-N 2.99Å; G77-A81 VanDerWaalsContact O-N 3.1Å; G77-Y82 PolarHBondContact O-N 3.26Å
78C95.7Very high93.9Very high79 Ų7981.6 Ų81.653%0.53446%0.458SS..Hα-helixtrans-58.6-47.4178-69.50000113.2N74 L75 T80 A81N74-C78 PolarHBondContact O-N 3.31Å; N74-C78 PolarHBondContact O-SG 3.38Å; N74-C78 VanDerWaalsContact O-SG 3.36Å; L75-C78 PolarHBondContact O-N 2.92Å; C78-T80 PolarHBondContact O-N 2.73Å; C78-A81 PolarHBondContact O-N 3.1Å
79L96.6Very high94Very high126 Ų12684 Ų8466%0.6646%0.456SS*.Hα-helixtrans-62.3-27-178.9-72173.8000113.3L75 F76 G77L75-L79 HydrophobicContact CD1-CD1 4.35Å; L75-L79 HydrophobicContact CD1-CG 4.38Å; L75-L79 HydrophobicContact CG-CD1 4.13Å; L75-L79 WeakPolarHBondContact O-CG 3.04Å; L75-L79 PolarHBondContact O-N 2.93Å; F76-L79 PolarHBondContact O-N 2.84Å; G77-L79 PolarHBondContact O-N 2.85Å
80T95.6Very high94.1Very high50 Ų5081.6 Ų81.631%0.30744%0.438SS..THydrogen-bonded Turntrans-106.211.9-179.1630000113.1F76 G77 C78 Y82 L83 I84F76-T80 WeakPolarHBondContact O-CB 3.46Å; F76-T80 WeakPolarHBondContact O-CG2 3.49Å; F76-T80 PolarHBondContact O-N 2.63Å; F76-T80 PolarHBondContact O-OG1 2.65Å; G77-T80 CarbonylContact O-C 3.55Å; G77-T80 PolarHBondContact O-N 2.64Å; G77-T80 PolarHBondContact O-OG1 2.79Å; C78-T80 PolarHBondContact O-N 2.73Å; T80-Y82 PolarHBondContact O-N 3.45Å; T80-L83 VanDerWaalsContact O-CB 3.28Å; T80-L83 WeakPolarHBondContact O-CB 3.45Å; T80-L83 WeakPolarHBondContact O-CG 3.39Å; T80-L83 PolarHBondContact O-N 3.02Å; T80-I84 HydrophobicContact CG2-CB 4.25Å; T80-I84 WeakPolarHBondContact OG1-CB 3.41Å; T80-I84 VanDerWaalsContact OG1-CG2 3.23Å; T80-I84 WeakPolarHBondContact OG1-CG2 3.46Å; T80-I84 PolarHBondContact OG1-N 3.39Å
81A96Very high94.1Very high74 Ų7482.4 Ų82.461%0.61244%0.441SS*.THydrogen-bonded Turntrans50.540.7-173.200000113.1G77 C78 L83G77-A81 PolarHBondContact O-N 2.99Å; G77-A81 VanDerWaalsContact O-N 3.1Å; C78-A81 PolarHBondContact O-N 3.1Å; A81-L83 PolarHBondContact O-N 3.13Å; A81-L83 VanDerWaalsContact O-N 3.11Å
82Y92.7Very high94.2Very high133 Ų13381.8 Ų81.852%0.52243%0.428SS..THydrogen-bonded Turntrans64.13.9-177.9-62-95.7000115.2G77 T80 I84 F85G77-Y82 PolarHBondContact O-N 3.26Å; T80-Y82 PolarHBondContact O-N 3.45Å; Y82-I84 PolarHBondContact O-N 2.67Å; Y82-F85 AromaticContact CD1-CD2 3.71Å; Y82-F85 HydrophobicContact CD1-CD2 3.71Å; Y82-F85 AromaticContact CD1-CE2 3.43Å; Y82-F85 HydrophobicContact CD1-CE2 3.43Å; Y82-F85 VanDerWaalsContact CD1-CE2 3.43Å; Y82-F85 AromaticContact CE1-CE2 3.94Å; Y82-F85 HydrophobicContact CE1-CE2 3.94Å; Y82-F85 HydrophobicContact CG-CD2 4.49Å; Y82-F85 HydrophobicContact CG-CE2 4.48Å; Y82-F85 PolarHBondContact O-N 3.41Å; Y82-F85 VanDerWaalsContact O-N 3.15Å
83L96Very high94.1Very high113 Ų11380.7 Ų80.759%0.59242%0.423SS*.G310 helixtrans-64.3-27.6178.7-64.6177.6000112.9T80 A81 F85 L86T80-L83 VanDerWaalsContact O-CB 3.28Å; T80-L83 WeakPolarHBondContact O-CB 3.45Å; T80-L83 WeakPolarHBondContact O-CG 3.39Å; T80-L83 PolarHBondContact O-N 3.02Å; A81-L83 PolarHBondContact O-N 3.13Å; A81-L83 VanDerWaalsContact O-N 3.11Å; L83-F85 PolarHBondContact O-N 3.3Å; L83-L86 HydrophobicContact CD2-CD1 4.01Å; L83-L86 VanDerWaalsContact O-CB 3.29Å; L83-L86 WeakPolarHBondContact O-CB 3.14Å; L83-L86 WeakPolarHBondContact O-CG 3.26Å; L83-L86 PolarHBondContact O-N 3.29Å
84I93.3Very high94.2Very high46 Ų4684 Ų8424%0.23644%0.437CS..G310 helixtrans-58.4-29.3176.2-164.8167.6000112.4F76 T80 Y82 L86 C87 M88F76-I84 HydrophobicContact CB-CD1 4.15Å; T80-I84 HydrophobicContact CG2-CB 4.25Å; T80-I84 WeakPolarHBondContact OG1-CB 3.41Å; T80-I84 VanDerWaalsContact OG1-CG2 3.23Å; T80-I84 WeakPolarHBondContact OG1-CG2 3.46Å; T80-I84 PolarHBondContact OG1-N 3.39Å; Y82-I84 PolarHBondContact O-N 2.67Å; I84-L86 PolarHBondContact O-N 3.37Å; I84-C87 PolarHBondContact O-N 3.41Å; I84-C87 VanDerWaalsContact O-N 3.08Å; I84-M88 HydrophobicContact CD1-SD 3.84Å; I84-M88 HydrophobicContact CG1-CG 4.3Å; I84-M88 HydrophobicContact CG1-SD 3.78Å; I84-M88 PolarHBondContact O-N 3.2Å
85F91.6Very high94.4Very high56 Ų5680.5 Ų80.525%0.24642%0.418CS..G310 helixtrans-73.7-7.9178.9-58.8-29.2000113.9E73 Y82 L83 C87 M88 T90E73-F85 HydrophobicContact CG-CE1 3.71Å; E73-F85 HydrophobicContact CG-CZ 3.97Å; Y82-F85 AromaticContact CD1-CD2 3.71Å; Y82-F85 HydrophobicContact CD1-CD2 3.71Å; Y82-F85 AromaticContact CD1-CE2 3.43Å; Y82-F85 HydrophobicContact CD1-CE2 3.43Å; Y82-F85 VanDerWaalsContact CD1-CE2 3.43Å; Y82-F85 AromaticContact CE1-CE2 3.94Å; Y82-F85 HydrophobicContact CE1-CE2 3.94Å; Y82-F85 HydrophobicContact CG-CD2 4.49Å; Y82-F85 HydrophobicContact CG-CE2 4.48Å; Y82-F85 PolarHBondContact O-N 3.41Å; Y82-F85 VanDerWaalsContact O-N 3.15Å; L83-F85 PolarHBondContact O-N 3.3Å; F85-C87 PolarHBondContact O-N 3.37Å; F85-M88 WeakPolarHBondContact CA-O 3.28Å; F85-T90 HydrophobicContact CD1-CG2 3.93Å; F85-T90 HydrophobicContact CD2-CG2 4.03Å; F85-T90 HydrophobicContact CE1-CG2 4.01Å; F85-T90 HydrophobicContact CE2-CG2 4.07Å; F85-T90 HydrophobicContact CG-CG2 3.97Å; F85-T90 HydrophobicContact CZ-CG2 4.09Å
86L93.3Very high94.4Very high141 Ų14177.6 Ų77.674%0.73840%0.403SS*.G310 helixtrans-68.4-25.5166.9-61178.2000112.1L83 I84L83-L86 HydrophobicContact CD2-CD1 4.01Å; L83-L86 VanDerWaalsContact O-CB 3.29Å; L83-L86 WeakPolarHBondContact O-CB 3.14Å; L83-L86 WeakPolarHBondContact O-CG 3.26Å; L83-L86 PolarHBondContact O-N 3.29Å; I84-L86 PolarHBondContact O-N 3.37Å
87C93.3Very high94.6Very high121 Ų12177.8 Ų77.882%0.81841%0.405SS*.THydrogen-bonded Turntrans-116.4-13-176.6-61.10000113.4I84 F85I84-C87 PolarHBondContact O-N 3.41Å; I84-C87 VanDerWaalsContact O-N 3.08Å; F85-C87 PolarHBondContact O-N 3.37Å
88M91.1Very high94.7Very high113 Ų11382.3 Ų82.356%0.55743%0.425SS*.SBendtrans-130.3134.6-177.2-64-174.572.800111.1I84 F85I84-M88 HydrophobicContact CD1-SD 3.84Å; I84-M88 HydrophobicContact CG1-CG 4.3Å; I84-M88 HydrophobicContact CG1-SD 3.78Å; I84-M88 PolarHBondContact O-N 3.2Å; F85-M88 WeakPolarHBondContact CA-O 3.28Å
89K92.9Very high94.9Very high148 Ų14878.6 Ų78.664%0.64340%0.399SS*.  trans-76.1137.8172.8-69.7-168.2173.277.30111.1D93 K94K89-D93 HydrophobicContact CB-CB 4.12Å; K89-K94 HydrophobicContact CB-CG 4.38Å; K89-K94 WeakPolarHBondContact O-CE 3.32Å; K89-K94 PolarHBondContact O-NZ 3.18Å
90T93.9Very high94.9Very high25 Ų2575.1 Ų75.115%0.15338%0.384CS..  trans-69.5165.4175.366.80000111.6E73 F85 Y92 D93 K94E73-T90 VanDerWaalsContact OE1-CA 3.25Å; E73-T90 WeakPolarHBondContact OE1-CA 3.44Å; E73-T90 VanDerWaalsContact OE1-CB 3.31Å; E73-T90 WeakPolarHBondContact OE1-CB 3.36Å; E73-T90 WeakPolarHBondContact OE2-CA 3.35Å; F85-T90 HydrophobicContact CD1-CG2 3.93Å; F85-T90 HydrophobicContact CD2-CG2 4.03Å; F85-T90 HydrophobicContact CE1-CG2 4.01Å; F85-T90 HydrophobicContact CE2-CG2 4.07Å; F85-T90 HydrophobicContact CG-CG2 3.97Å; F85-T90 HydrophobicContact CZ-CG2 4.09Å; T90-Y92 PolarHBondContact O-N 2.81Å; T90-Y92 PolarHBondContact OG1-N 3.08Å; T90-D93 WeakPolarHBondContact CB-OD2 3.37Å; T90-D93 PolarHBondContact N-OD2 3.08Å; T90-D93 VanDerWaalsContact N-OD2 3.08Å; T90-D93 PolarHBondContact O-N 3.1Å; T90-D93 PolarHBondContact OG1-N 2.8Å; T90-D93 PolarHBondContact OG1-OD2 3.15Å; T90-K94 VanDerWaalsContact O-CG 3.28Å; T90-K94 WeakPolarHBondContact O-CG 3.37Å; T90-K94 PolarHBondContact O-N 2.96Å
91H94.5Very high95.1Very high31 Ų3177.5 Ų77.514%0.14439%0.394CS..Hα-helixtrans-53.6-46.2168.3174.2-99.1000111.1E62 V70 E73 D93 K94 V95E62-H91 PolarHBondContact O-CE1 3.21Å; V70-H91 HydrophobicContact CG2-CB 3.62Å; V70-H91 VanDerWaalsContact CG2-CG 3.41Å; E73-H91 VanDerWaalsContact CD-N 3.27Å; E73-H91 PolarHBondContact OE1-N 2.82Å; E73-H91 PolarHBondContact OE2-N 3.02Å; H91-D93 VanDerWaalsContact C-N 3.35Å; H91-D93 PolarHBondContact O-N 2.95Å; H91-K94 WeakPolarHBondContact O-CB 3.4Å; H91-K94 PolarHBondContact O-N 3.06Å; H91-V95 WeakPolarHBondContact O-CG2 3.21Å; H91-V95 PolarHBondContact O-N 3.05Å
92Y94.4Very high95.2Very high64 Ų6474.2 Ų74.225%0.25137%0.367SS..Hα-helixtrans-60-45.4-179.9-163.1-88.9000111.3A63 T90 K94 V95 L96 L126A63-Y92 HydrophobicContact CB-CD2 3.74Å; A63-Y92 HydrophobicContact CB-CE2 3.69Å; A63-Y92 HydrophobicContact CB-CG 4.49Å; T90-Y92 PolarHBondContact O-N 2.81Å; T90-Y92 PolarHBondContact OG1-N 3.08Å; Y92-K94 VanDerWaalsContact C-N 3.33Å; Y92-K94 PolarHBondContact O-N 3.02Å; Y92-V95 PolarHBondContact O-N 3.39Å; Y92-L96 HydrophobicContact CD1-CD1 3.74Å; Y92-L96 HydrophobicContact CD1-CG 4.21Å; Y92-L96 HydrophobicContact CE1-CD1 3.53Å; Y92-L96 HydrophobicContact CE1-CG 3.95Å; Y92-L96 WeakPolarHBondContact O-CB 3.28Å; Y92-L96 PolarHBondContact O-N 2.98Å; Y92-L126 HydrophobicContact CE1-CD1 4.26Å; Y92-L126 VanDerWaalsContact OH-CD1 3.31Å; Y92-L126 WeakPolarHBondContact OH-CD1 3.46Å
93D94.3Very high95.4Very high71 Ų7168.1 Ų68.138%0.3834%0.343SS..Hα-helixtrans-61.5-39.9176.7-63.5-43.5000112.4K89 T90 H91 V95 L96 H97K89-D93 HydrophobicContact CB-CB 4.12Å; T90-D93 WeakPolarHBondContact CB-OD2 3.37Å; T90-D93 PolarHBondContact N-OD2 3.08Å; T90-D93 VanDerWaalsContact N-OD2 3.08Å; T90-D93 PolarHBondContact O-N 3.1Å; T90-D93 PolarHBondContact OG1-N 2.8Å; T90-D93 PolarHBondContact OG1-OD2 3.15Å; H91-D93 VanDerWaalsContact C-N 3.35Å; H91-D93 PolarHBondContact O-N 2.95Å; D93-V95 VanDerWaalsContact C-N 3.34Å; D93-L96 PolarHBondContact O-N 3.41Å; D93-H97 PolarHBondContact O-N 2.86Å
94K95.5Very high95.5Very high100 Ų10065.3 Ų65.344%0.43534%0.337SS..Hα-helixtrans-63.9-40.8177.6-69.9162.4-170.9145.50111.1E73 K89 T90 H91 Y92 H97 K98E73-K94 IonicContact OE2-NZ 2.65Å; K89-K94 HydrophobicContact CB-CG 4.38Å; K89-K94 WeakPolarHBondContact O-CE 3.32Å; K89-K94 PolarHBondContact O-NZ 3.18Å; T90-K94 VanDerWaalsContact O-CG 3.28Å; T90-K94 WeakPolarHBondContact O-CG 3.37Å; T90-K94 PolarHBondContact O-N 2.96Å; H91-K94 WeakPolarHBondContact O-CB 3.4Å; H91-K94 PolarHBondContact O-N 3.06Å; Y92-K94 VanDerWaalsContact C-N 3.33Å; Y92-K94 PolarHBondContact O-N 3.02Å; K94-H97 PolarHBondContact O-N 3.01Å; K94-K98 PolarHBondContact O-N 3.22Å
95V96.7Very high95.8Very high2 Ų264.8 Ų64.81%0.01233%0.334CS..Hα-helixtrans-73-38.3177.5-177.60000111.1L59 E62 A63 H91 Y92 D93 H97 K98 V99L59-V95 WeakPolarHBondContact O-CG1 3.17Å; E62-V95 HydrophobicContact CB-CG1 4.28Å; E62-V95 HydrophobicContact CG-CG1 4.36Å; E62-V95 HydrophobicContact CG-CG2 4.26Å; A63-V95 HydrophobicContact CB-CB 3.88Å; A63-V95 HydrophobicContact CB-CG1 3.68Å; H91-V95 WeakPolarHBondContact O-CG2 3.21Å; H91-V95 PolarHBondContact O-N 3.05Å; Y92-V95 PolarHBondContact O-N 3.39Å; D93-V95 VanDerWaalsContact C-N 3.34Å; V95-H97 PolarHBondContact O-N 3.43Å; V95-K98 WeakPolarHBondContact O-CA 3.49Å; V95-K98 VanDerWaalsContact O-CB 3.26Å; V95-K98 WeakPolarHBondContact O-CB 3.48Å; V95-K98 PolarHBondContact O-N 3.42Å; V95-V99 PolarHBondContact O-N 3.14Å
96L97Very high96.1Very high29 Ų2962.9 Ų62.915%0.15233%0.326CS..Hα-helixtrans-57-39171.8-101.4176.1000112.3F60 Y92 D93 K98 V99 T100 L126F60-L96 HydrophobicContact CE1-CD2 4.3Å; Y92-L96 HydrophobicContact CD1-CD1 3.74Å; Y92-L96 HydrophobicContact CD1-CG 4.21Å; Y92-L96 HydrophobicContact CE1-CD1 3.53Å; Y92-L96 HydrophobicContact CE1-CG 3.95Å; Y92-L96 WeakPolarHBondContact O-CB 3.28Å; Y92-L96 PolarHBondContact O-N 2.98Å; D93-L96 PolarHBondContact O-N 3.41Å; L96-K98 VanDerWaalsContact C-N 3.29Å; L96-K98 PolarHBondContact O-N 3.06Å; L96-V99 WeakPolarHBondContact O-CA 3.2Å; L96-V99 VanDerWaalsContact O-CB 3.28Å; L96-V99 WeakPolarHBondContact O-CB 3.4Å; L96-V99 PolarHBondContact O-N 3.04Å; L96-T100 PolarHBondContact O-N 2.85Å; L96-T100 PolarHBondContact O-OG1 3.09Å; L96-L126 HydrophobicContact CD2-CD1 4.49Å; L96-L126 HydrophobicContact CD2-CD2 4.11Å
97H97.3Very high96.3Very high112 Ų11256.9 Ų56.952%0.51930%0.295SS..Hα-helixtrans-61.7-36.8173-17560.1000112.6D93 K94 V95 V99 T100 L101D93-H97 PolarHBondContact O-N 2.86Å; K94-H97 PolarHBondContact O-N 3.01Å; V95-H97 PolarHBondContact O-N 3.43Å; H97-V99 VanDerWaalsContact C-N 3.3Å; H97-V99 PolarHBondContact O-N 3.04Å; H97-T100 WeakPolarHBondContact O-CB 3.4Å; H97-T100 PolarHBondContact O-N 2.93Å; H97-L101 WeakPolarHBondContact O-CG 3.39Å; H97-L101 PolarHBondContact O-N 3.22Å; H97-L101 VanDerWaalsContact O-N 3.11Å
98K98Very high96.5Very high95 Ų9557.9 Ų57.941%0.41329%0.288SS..Hα-helixtrans-64.3-35.3172.2-57.8178.6-174.9177.40111.8L59 E62 K94 V95 L96 L101 A102L59-K98 HydrophobicContact CD2-CB 4.18Å; L59-K98 HydrophobicContact CD2-CD 4.5Å; E62-K98 IonicContact OE1-NZ 2.92Å; E62-K98 PolarHBondContact OE1-NZ 3.45Å; K94-K98 PolarHBondContact O-N 3.22Å; V95-K98 WeakPolarHBondContact O-CA 3.49Å; V95-K98 VanDerWaalsContact O-CB 3.26Å; V95-K98 WeakPolarHBondContact O-CB 3.48Å; V95-K98 PolarHBondContact O-N 3.42Å; L96-K98 VanDerWaalsContact C-N 3.29Å; L96-K98 PolarHBondContact O-N 3.06Å; K98-L101 PolarHBondContact O-N 3.23Å; K98-A102 WeakPolarHBondContact O-CB 3.2Å; K98-A102 PolarHBondContact O-N 3.01Å
99V98.2Very high96.8Very high0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-61.7-48.2173.6175.70000110.2L56 L59 F60 V95 L96 H97 L101 A102 V103L56-V99 HydrophobicContact CD2-CG1 4.21Å; L59-V99 HydrophobicContact CB-CG2 3.7Å; L59-V99 HydrophobicContact CD1-CG2 4.13Å; F60-V99 HydrophobicContact CD1-CG2 4.31Å; F60-V99 HydrophobicContact CE1-CG1 4.2Å; F60-V99 HydrophobicContact CE1-CG2 3.94Å; F60-V99 HydrophobicContact CE2-CG1 4.35Å; F60-V99 HydrophobicContact CZ-CG1 3.72Å; F60-V99 HydrophobicContact CZ-CG2 4.15Å; V95-V99 PolarHBondContact O-N 3.14Å; L96-V99 WeakPolarHBondContact O-CA 3.2Å; L96-V99 VanDerWaalsContact O-CB 3.28Å; L96-V99 WeakPolarHBondContact O-CB 3.4Å; L96-V99 PolarHBondContact O-N 3.04Å; H97-V99 VanDerWaalsContact C-N 3.3Å; H97-V99 PolarHBondContact O-N 3.04Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 2.64Å; V99-A102 WeakPolarHBondContact O-CB 3.49Å; V99-A102 PolarHBondContact O-N 3.01Å; V99-V103 HydrophobicContact CG1-CG2 4.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.38Å; V99-V103 PolarHBondContact O-N 3.27Å
100T98Very high97Very high54 Ų5453.3 Ų53.333%0.33127%0.266SS..Hα-helixtrans-54.2-46.7175.5-56.90000111.9L96 H97 A102 V103 A104 D120L96-T100 PolarHBondContact O-N 2.85Å; L96-T100 PolarHBondContact O-OG1 3.09Å; H97-T100 WeakPolarHBondContact O-CB 3.4Å; H97-T100 PolarHBondContact O-N 2.93Å; T100-A102 PolarHBondContact O-N 3.12Å; T100-V103 PolarHBondContact O-N 3.4Å; T100-A104 PolarHBondContact O-N 2.71Å; T100-D120 WeakPolarHBondContact CA-OD2 3.49Å; T100-D120 WeakPolarHBondContact CB-OD2 3.42Å; T100-D120 WeakPolarHBondContact CG2-OD2 3.48Å; T100-D120 PolarHBondContact OG1-OD2 3.18Å
101L98.4Very high97.1Very high100 Ų10052.1 Ų52.152%0.52426%0.259SS..Hα-helixtrans-64.8-39.2176.9-64.7174.6000112.4H97 K98 V99 A104 D105H97-L101 WeakPolarHBondContact O-CG 3.39Å; H97-L101 PolarHBondContact O-N 3.22Å; H97-L101 VanDerWaalsContact O-N 3.11Å; K98-L101 PolarHBondContact O-N 3.23Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 2.64Å; L101-A104 PolarHBondContact O-N 3.07Å; L101-D105 WeakPolarHBondContact O-CB 3.11Å; L101-D105 PolarHBondContact O-N 3.38Å
102A98.2Very high97.2Very high5 Ų554.8 Ų54.84%0.04127%0.273CS..Hα-helixtrans-67.2-37.7177.100000112.3L56 L59 K98 V99 T100 D105 L106L56-A102 HydrophobicContact CD2-CB 4.2Å; L59-A102 HydrophobicContact CD1-CB 3.57Å; K98-A102 WeakPolarHBondContact O-CB 3.2Å; K98-A102 PolarHBondContact O-N 3.01Å; V99-A102 WeakPolarHBondContact O-CB 3.49Å; V99-A102 PolarHBondContact O-N 3.01Å; T100-A102 PolarHBondContact O-N 3.12Å; A102-D105 PolarHBondContact O-N 3.05Å; A102-L106 WeakPolarHBondContact O-CB 3.3Å; A102-L106 WeakPolarHBondContact O-CG 3.19Å; A102-L106 PolarHBondContact O-N 2.78Å
103V98.3Very high97.2Very high4 Ų456 Ų562%0.02429%0.289CS..Hα-helixtrans-65-44.5174.4172.30000110.4L56 V99 T100 D105 L106 N107 M118L56-V103 HydrophobicContact CD1-CG2 4.41Å; L56-V103 HydrophobicContact CD2-CG2 3.81Å; V99-V103 HydrophobicContact CG1-CG2 4.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.38Å; V99-V103 PolarHBondContact O-N 3.27Å; T100-V103 PolarHBondContact O-N 3.4Å; V103-D105 PolarHBondContact O-N 2.99Å; V103-L106 PolarHBondContact O-N 2.69Å; V103-N107 WeakPolarHBondContact O-CB 3.13Å; V103-N107 PolarHBondContact O-N 3.38Å; V103-N107 PolarHBondContact O-ND2 3.06Å; V103-M118 HydrophobicContact CG1-CB 4.24Å; V103-M118 HydrophobicContact CG1-CG 4.04Å; V103-M118 HydrophobicContact CG1-SD 4.13Å; V103-M118 HydrophobicContact CG2-SD 4.09Å
104A98.2Very high97.2Very high55 Ų5555.7 Ų55.746%0.45529%0.288SS..Hα-helixtrans-58.7-47175.300000111.9T100 L101 L106 N107 E108T100-A104 PolarHBondContact O-N 2.71Å; L101-A104 PolarHBondContact O-N 3.07Å; A104-L106 PolarHBondContact O-N 3.06Å; A104-N107 WeakPolarHBondContact O-CB 3.44Å; A104-N107 PolarHBondContact O-N 2.87Å; A104-E108 PolarHBondContact O-N 2.87Å
105D98.3Very high97.1Very high35 Ų3552.1 Ų52.119%0.18728%0.279CS..Hα-helixtrans-62.5-41.7177.1179.667.2000112.7R55 L101 A102 V103 K109R55-D105 IonicContact CZ-OD2 2.65Å; R55-D105 VanDerWaalsContact CZ-OD2 3.28Å; R55-D105 IonicContact NH1-OD2 2.73Å; R55-D105 PolarHBondContact NH1-OD2 3.48Å; R55-D105 IonicContact NH2-OD2 3.12Å; R55-D105 PolarHBondContact NH2-OD2 3.44Å; L101-D105 WeakPolarHBondContact O-CB 3.11Å; L101-D105 PolarHBondContact O-N 3.38Å; A102-D105 PolarHBondContact O-N 3.05Å; V103-D105 PolarHBondContact O-N 2.99Å; D105-K109 WeakPolarHBondContact O-CB 3.38Å; D105-K109 WeakPolarHBondContact O-CG 3.44Å; D105-K109 PolarHBondContact O-N 3.08Å; D105-K109 WeakPolarHBondContact OD1-CD 3.38Å; D105-K109 WeakPolarHBondContact OD1-CE 3.29Å; D105-K109 IonicContact OD1-NZ 2.65Å; D105-K109 PolarHBondContact OD1-NZ 3.18Å; D105-K109 IonicContact OD2-NZ 3.78Å
106L98.2Very high97.1Very high15 Ų1552 Ų528%0.07928%0.278CS..Hα-helixtrans-66.8-37.7174.7-75171000111.9A52 L56 A102 V103 A104 L110 F111A52-L106 HydrophobicContact CB-CD1 4.16Å; A52-L106 HydrophobicContact CB-CD2 3.8Å; L56-L106 HydrophobicContact CD1-CD1 4.43Å; L56-L106 HydrophobicContact CD2-CD1 4.15Å; L56-L106 HydrophobicContact CG-CD1 4.14Å; A102-L106 WeakPolarHBondContact O-CB 3.3Å; A102-L106 WeakPolarHBondContact O-CG 3.19Å; A102-L106 PolarHBondContact O-N 2.78Å; V103-L106 PolarHBondContact O-N 2.69Å; A104-L106 PolarHBondContact O-N 3.06Å; L106-L110 WeakPolarHBondContact O-CA 3.36Å; L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 PolarHBondContact O-N 2.9Å; L106-F111 HydrophobicContact CB-CD2 4.03Å; L106-F111 HydrophobicContact CB-CE2 3.86Å; L106-F111 WeakPolarHBondContact O-CD2 3.38Å; L106-F111 PolarHBondContact O-N 3.33Å
107N98.1Very high97Very high15 Ų1553 Ų538%0.0828%0.284CS..Iπ-helixtrans-62.3-49.5175.7-81.7-27.5000111.2V103 A104 K109 F111 L112 M118V103-N107 WeakPolarHBondContact O-CB 3.13Å; V103-N107 PolarHBondContact O-N 3.38Å; V103-N107 PolarHBondContact O-ND2 3.06Å; A104-N107 WeakPolarHBondContact O-CB 3.44Å; A104-N107 PolarHBondContact O-N 2.87Å; N107-K109 PolarHBondContact O-N 3.03Å; N107-F111 PolarHBondContact O-N 3.08Å; N107-L112 HydrophobicContact CB-CD1 4.23Å; N107-L112 HydrophobicContact CB-CG 4.26Å; N107-L112 WeakPolarHBondContact O-CB 3.28Å; N107-L112 WeakPolarHBondContact O-CG 3.46Å; N107-L112 PolarHBondContact O-N 3.48Å; N107-M118 PolarHBondContact ND2-O 3.5Å; N107-M118 WeakPolarHBondContact OD1-CA 3.47Å; N107-M118 VanDerWaalsContact OD1-CB 3.26Å; N107-M118 WeakPolarHBondContact OD1-CB 3.49Å; N107-M118 PolarHBondContact OD1-N 3.49Å
108E97.8Very high97.1Very high142 Ų14247.8 Ų47.866%0.66426%0.259SS*.Iπ-helixtrans-61.4-45179.1-171.5-175.8167.100112.4A104 P113A104-E108 PolarHBondContact O-N 2.87Å; E108-P113 WeakPolarHBondContact O-CD 3.24Å; E108-P113 WeakPolarHBondContact O-CG 3.43Å
109K96.9Very high97Very high144 Ų14444.5 Ų44.563%0.62625%0.246SC*.Iπ-helixtrans-89.4-25.9-170.5-68.2174.5177.1164.70115D105 N107D105-K109 WeakPolarHBondContact O-CB 3.38Å; D105-K109 WeakPolarHBondContact O-CG 3.44Å; D105-K109 PolarHBondContact O-N 3.08Å; D105-K109 WeakPolarHBondContact OD1-CD 3.38Å; D105-K109 WeakPolarHBondContact OD1-CE 3.29Å; D105-K109 IonicContact OD1-NZ 2.65Å; D105-K109 PolarHBondContact OD1-NZ 3.18Å; D105-K109 IonicContact OD2-NZ 3.78Å; N107-K109 PolarHBondContact O-N 3.03Å
110L96.9Very high96.9Very high22 Ų2245.2 Ų45.212%0.11525%0.25CC..Iπ-helixtrans-129.7-52.8-170.9-178.964.7000113I44 R48 A52 L106 N114I44-L110 HydrophobicContact CG2-CD1 4.08Å; I44-L110 HydrophobicContact CG2-CG 4.37Å; R48-L110 HydrophobicContact CB-CD1 4.04Å; R48-L110 HydrophobicContact CB-CD2 4.21Å; A52-L110 HydrophobicContact CB-CD2 4Å; L106-L110 WeakPolarHBondContact O-CA 3.36Å; L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 PolarHBondContact O-N 2.9Å; L110-N114 PolarHBondContact O-ND2 2.9Å
111F96.4Very high96.9Very high0 Ų042.6 Ų42.60%023%0.234CC..Iπ-helixtrans-78.2-53.1-170.2-63.4-72.9000112.6I44 A52 L106 N107 N114 G115 L116 M118 L131I44-F111 HydrophobicContact CD1-CE1 3.99Å; A52-F111 HydrophobicContact CB-CE2 4.38Å; A52-F111 HydrophobicContact CB-CZ 4.12Å; L106-F111 HydrophobicContact CB-CD2 4.03Å; L106-F111 HydrophobicContact CB-CE2 3.86Å; L106-F111 WeakPolarHBondContact O-CD2 3.38Å; L106-F111 PolarHBondContact O-N 3.33Å; N107-F111 PolarHBondContact O-N 3.08Å; F111-N114 CarbonylContact O-C 3.6Å; F111-N114 PolarHBondContact O-N 3.35Å; F111-G115 PolarHBondContact O-N 2.9Å; F111-L116 CarbonylContact C-O 3.55Å; F111-L116 HydrophobicContact CB-CB 3.81Å; F111-L116 WeakPolarHBondContact CB-O 3.3Å; F111-L116 HydrophobicContact CD1-CB 3.97Å; F111-L116 HydrophobicContact CD1-CD1 3.99Å; F111-L116 HydrophobicContact CG-CB 4.39Å; F111-L116 WeakPolarHBondContact O-CA 3.46Å; F111-L116 WeakPolarHBondContact O-CB 3.31Å; F111-L116 PolarHBondContact O-N 3.04Å; F111-M118 HydrophobicContact CD2-CB 4.05Å; F111-M118 HydrophobicContact CD2-CE 4.26Å; F111-M118 HydrophobicContact CE1-CE 4.2Å; F111-M118 HydrophobicContact CE2-CB 4.24Å; F111-M118 HydrophobicContact CE2-CE 3.31Å; F111-M118 HydrophobicContact CE2-SD 4.18Å; F111-M118 HydrophobicContact CG-CB 4.47Å; F111-M118 HydrophobicContact CZ-CE 3.29Å; F111-L131 HydrophobicContact CD1-CD2 4.27Å; F111-L131 HydrophobicContact CE1-CD1 4.43Å; F111-L131 HydrophobicContact CE1-CD2 4.09Å
112L95.9Very high96.7Very high86 Ų8640 Ų4045%0.4522%0.224SC..G310 helixtrans-58.8-44.6-176.6-69.2170000112.9N107 N114 G115 L116 L117 F134N107-L112 HydrophobicContact CB-CD1 4.23Å; N107-L112 HydrophobicContact CB-CG 4.26Å; N107-L112 WeakPolarHBondContact O-CB 3.28Å; N107-L112 WeakPolarHBondContact O-CG 3.46Å; N107-L112 PolarHBondContact O-N 3.48Å; L112-N114 PolarHBondContact O-N 2.95Å; L112-N114 VanDerWaalsContact O-N 3.12Å; L112-G115 PolarHBondContact O-N 3.19Å; L112-L116 VanDerWaalsContact CA-O 3.25Å; L112-L116 WeakPolarHBondContact CA-O 3.25Å; L112-L116 PolarHBondContact N-O 3.49Å; L112-L117 HydrophobicContact CD2-CB 4.42Å; L112-L117 HydrophobicContact CD2-CD1 4.09Å; L112-F134 HydrophobicContact CD2-CE2 4.19Å
113P94.9Very high96.6Very high90 Ų9046 Ų4658%0.58425%0.251SS*.G310 helixtrans-60.4-23.1176.3-24.835.5000114.2E108E108-P113 WeakPolarHBondContact O-CD 3.24Å; E108-P113 WeakPolarHBondContact O-CG 3.43Å
114N94.4Very high96.4Very high65 Ų6549.5 Ų49.535%0.34826%0.264SS..G310 helixtrans-102.717.8179.8-65.7-65.2000112.7R43 I44 L110 F111 L112 L116R43-N114 WeakPolarHBondContact O-CB 3.44Å; R43-N114 PolarHBondContact O-OD1 3.28Å; I44-N114 HydrophobicContact CG2-CB 3.89Å; L110-N114 PolarHBondContact O-ND2 2.9Å; F111-N114 CarbonylContact O-C 3.6Å; F111-N114 PolarHBondContact O-N 3.35Å; L112-N114 PolarHBondContact O-N 2.95Å; L112-N114 VanDerWaalsContact O-N 3.12Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.41Å
115G93.8Very high96.3Very high24 Ų2449.4 Ų49.425%0.24727%0.268CS..THydrogen-bonded Turntrans7028.3178.100000113.4F111 L112 F134F111-G115 PolarHBondContact O-N 2.9Å; L112-G115 PolarHBondContact O-N 3.19Å; G115-F134 PolarHBondContact O-N 3.43Å
116L95.4Very high96.2Very high0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-121.2152.5-180-59.2169.3000110.4L40 R43 I44 F111 L112 N114 C132 I133L40-L116 HydrophobicContact CD2-CD1 3.8Å; L40-L116 HydrophobicContact CD2-CD2 3.77Å; L40-L116 HydrophobicContact CD2-CG 4.46Å; R43-L116 HydrophobicContact CB-CD1 4.27Å; I44-L116 HydrophobicContact CD1-CD1 4.2Å; I44-L116 HydrophobicContact CG1-CD1 4.42Å; I44-L116 HydrophobicContact CG2-CD1 3.9Å; F111-L116 CarbonylContact C-O 3.55Å; F111-L116 HydrophobicContact CB-CB 3.81Å; F111-L116 WeakPolarHBondContact CB-O 3.3Å; F111-L116 HydrophobicContact CD1-CB 3.97Å; F111-L116 HydrophobicContact CD1-CD1 3.99Å; F111-L116 HydrophobicContact CG-CB 4.39Å; F111-L116 WeakPolarHBondContact O-CA 3.46Å; F111-L116 WeakPolarHBondContact O-CB 3.31Å; F111-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact CA-O 3.25Å; L112-L116 WeakPolarHBondContact CA-O 3.25Å; L112-L116 PolarHBondContact N-O 3.49Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.41Å; L116-C132 CarbonylContact C-O 3.58Å; L116-C132 VanDerWaalsContact CA-O 3.24Å; L116-C132 WeakPolarHBondContact CA-O 3.48Å; L116-I133 HydrophobicContact CD2-CB 4.29Å; L116-I133 HydrophobicContact CD2-CG1 3.49Å; L116-I133 VanDerWaalsContact CD2-CG1 3.49Å
117L96.6Very high96.1Very high51 Ų5156.9 Ų56.927%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-135.1121.3169.3172.770.7000109L112 I119 L131 C132 F134L112-L117 HydrophobicContact CD2-CB 4.42Å; L112-L117 HydrophobicContact CD2-CD1 4.09Å; L117-I119 HydrophobicContact CD2-CD1 3.97Å; L117-I119 HydrophobicContact CG-CD1 4.21Å; L117-L131 CarbonylContact O-C 3.59Å; L117-L131 WeakPolarHBondContact O-CA 3.48Å; L117-C132 HydrophobicContact CB-CB 4.09Å; L117-C132 PolarHBondContact N-O 3.45Å; L117-C132 PolarHBondContact O-N 2.85Å; L117-F134 HydrophobicContact CB-CE2 3.68Å; L117-F134 HydrophobicContact CB-CZ 3.67Å; L117-F134 HydrophobicContact CD2-CZ 4.04Å; L117-F134 HydrophobicContact CG-CZ 4.48Å
118M97.5Very high96.1Very high2 Ų257.4 Ų57.41%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-83.1124168.9-175.8-179.8-74.800109.9I53 L56 V103 N107 F111 I129 L131I53-M118 HydrophobicContact CD1-CE 3.93Å; L56-M118 HydrophobicContact CD1-CE 4.11Å; L56-M118 HydrophobicContact CD1-SD 3.64Å; V103-M118 HydrophobicContact CG1-CB 4.24Å; V103-M118 HydrophobicContact CG1-CG 4.04Å; V103-M118 HydrophobicContact CG1-SD 4.13Å; V103-M118 HydrophobicContact CG2-SD 4.09Å; N107-M118 PolarHBondContact ND2-O 3.5Å; N107-M118 WeakPolarHBondContact OD1-CA 3.47Å; N107-M118 VanDerWaalsContact OD1-CB 3.26Å; N107-M118 WeakPolarHBondContact OD1-CB 3.49Å; N107-M118 PolarHBondContact OD1-N 3.49Å; F111-M118 HydrophobicContact CD2-CB 4.05Å; F111-M118 HydrophobicContact CD2-CE 4.26Å; F111-M118 HydrophobicContact CE1-CE 4.2Å; F111-M118 HydrophobicContact CE2-CB 4.24Å; F111-M118 HydrophobicContact CE2-CE 3.31Å; F111-M118 HydrophobicContact CE2-SD 4.18Å; F111-M118 HydrophobicContact CG-CB 4.47Å; F111-M118 HydrophobicContact CZ-CE 3.29Å; M118-I129 HydrophobicContact CE-CG2 3.95Å; M118-I129 HydrophobicContact CG-CG2 3.71Å; M118-I129 HydrophobicContact SD-CG2 4Å; M118-L131 HydrophobicContact CB-CD2 3.57Å; M118-L131 HydrophobicContact CE-CD2 3.89Å; M118-L131 HydrophobicContact CG-CD2 3.85Å
119I97.1Very high96.1Very high26 Ų2650.7 Ų50.713%0.13327%0.267CS..PPolyproline II helixtrans-79.1139.5170.4-51.6-55.9000108.5L117 P121 E123 E130L117-I119 HydrophobicContact CD2-CD1 3.97Å; L117-I119 HydrophobicContact CG-CD1 4.21Å; I119-P121 WeakPolarHBondContact O-CD 3.49Å; I119-P121 VanDerWaalsContact O-N 3.16Å; I119-E123 HydrophobicContact CG2-CB 4.39Å; I119-E130 HydrophobicContact CB-CB 4.13Å; I119-E130 HydrophobicContact CG1-CB 4.06Å; I119-E130 HydrophobicContact CG1-CG 3.99Å; I119-E130 PolarHBondContact N-O 2.72Å
120D96.7Very high96.1Very high14 Ų1443.9 Ų43.98%0.07524%0.237CC..PPolyproline II helixtrans-54.7121.6175.9-171.3-39.2000109.7T100 S122 E123T100-D120 WeakPolarHBondContact CA-OD2 3.49Å; T100-D120 WeakPolarHBondContact CB-OD2 3.42Å; T100-D120 WeakPolarHBondContact CG2-OD2 3.48Å; T100-D120 PolarHBondContact OG1-OD2 3.18Å; D120-S122 PolarHBondContact O-N 3.04Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 VanDerWaalsContact OD1-CB 3.28Å; D120-S122 WeakPolarHBondContact OD1-CB 3.36Å; D120-S122 PolarHBondContact OD1-N 3.26Å; D120-S122 PolarHBondContact OD1-OG 3.4Å; D120-E123 HydrophobicContact CB-CG 4.24Å; D120-E123 WeakPolarHBondContact O-CB 3.13Å; D120-E123 PolarHBondContact O-N 3.49Å
121P97.1Very high96.1Very high0 Ų042.9 Ų42.90%023%0.232CC..G310 helixtrans-58.4-25.6-177.9-25.135.1000113.6F31 F60 I119 E123 R124 G125 L126 I129F31-P121 HydrophobicContact CE2-CB 4.4Å; F31-P121 HydrophobicContact CZ-CB 4.23Å; F60-P121 HydrophobicContact CZ-CB 4.29Å; F60-P121 HydrophobicContact CZ-CG 4.5Å; I119-P121 WeakPolarHBondContact O-CD 3.49Å; I119-P121 VanDerWaalsContact O-N 3.16Å; P121-E123 VanDerWaalsContact C-N 3.3Å; P121-E123 PolarHBondContact O-N 3.15Å; P121-R124 CarbonylContact O-C 2.92Å; P121-R124 PolarHBondContact O-N 3.08Å; P121-G125 PolarHBondContact O-N 3.47Å; P121-L126 HydrophobicContact CB-CD2 4.06Å; P121-L126 WeakPolarHBondContact O-CA 3.48Å; P121-L126 PolarHBondContact O-N 3.27Å; P121-I129 HydrophobicContact CB-CG1 4.4Å; P121-I129 HydrophobicContact CG-CG1 3.93Å
122S94.2Very high96Very high46 Ų4643 Ų4332%0.32223%0.233SC..G310 helixtrans-64.1-34.2177.366.20000112.2D120 R124 G125D120-S122 PolarHBondContact O-N 3.04Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 VanDerWaalsContact OD1-CB 3.28Å; D120-S122 WeakPolarHBondContact OD1-CB 3.36Å; D120-S122 PolarHBondContact OD1-N 3.26Å; D120-S122 PolarHBondContact OD1-OG 3.4Å; S122-R124 PolarHBondContact O-N 3.33Å; S122-R124 VanDerWaalsContact O-N 3.14Å; S122-G125 PolarHBondContact O-N 2.89Å
123E95.2Very high96Very high129 Ų12939 Ų3960%0.60321%0.212SC*.G310 helixtrans-68.8-9.3173.7-63.6-177.5-154.600113.3I119 D120 P121I119-E123 HydrophobicContact CG2-CB 4.39Å; D120-E123 HydrophobicContact CB-CG 4.24Å; D120-E123 WeakPolarHBondContact O-CB 3.13Å; D120-E123 PolarHBondContact O-N 3.49Å; P121-E123 VanDerWaalsContact C-N 3.3Å; P121-E123 PolarHBondContact O-N 3.15Å
124R95.3Very high95.8Very high78 Ų7838.3 Ų38.329%0.29420%0.2SC..G310 helixtrans-110.812.9174.9-60.1-58.5179.4-98.6-4.1112.7P121 S122 L126 R127 V128 E130P121-R124 CarbonylContact O-C 2.92Å; P121-R124 PolarHBondContact O-N 3.08Å; S122-R124 PolarHBondContact O-N 3.33Å; S122-R124 VanDerWaalsContact O-N 3.14Å; R124-L126 PolarHBondContact O-N 3.36Å; R124-R127 PolarHBondContact O-N 3.25Å; R124-R127 PolarHBondContact O-NE 3.33Å; R124-V128 HydrophobicContact CB-CG2 4.21Å; R124-E130 IonicContact CZ-OE2 3.53Å; R124-E130 IonicContact NE-OE2 2.79Å; R124-E130 PolarHBondContact NE-OE2 3.24Å; R124-E130 IonicContact NH2-OE2 3.46Å; R124-E130 PolarHBondContact NH2-OE2 3.04Å
125G95.7Very high95.2Very high53 Ų5339.2 Ų39.255%0.54620%0.202SC..THydrogen-bonded Turntrans64.627.1-178.800000112.5P121 S122 R127P121-G125 PolarHBondContact O-N 3.47Å; S122-G125 PolarHBondContact O-N 2.89Å; G125-R127 PolarHBondContact O-N 2.91Å; G125-R127 VanDerWaalsContact O-N 3.08Å
126L96.6Very high93.9Very high21 Ų2143.8 Ų43.811%0.1123%0.23CC..THydrogen-bonded Turntrans60.619.2179.1-50.7176.1000114.7R21 V29 F60 Y92 L96 P121 R124R21-L126 PolarHBondContact NH1-O 2.74Å; V29-L126 HydrophobicContact CG1-CB 4.29Å; V29-L126 HydrophobicContact CG2-CD1 4.26Å; F60-L126 HydrophobicContact CE1-CD1 4.49Å; F60-L126 HydrophobicContact CE1-CD2 3.68Å; F60-L126 HydrophobicContact CZ-CD2 3.88Å; Y92-L126 HydrophobicContact CE1-CD1 4.26Å; Y92-L126 VanDerWaalsContact OH-CD1 3.31Å; Y92-L126 WeakPolarHBondContact OH-CD1 3.46Å; L96-L126 HydrophobicContact CD2-CD1 4.49Å; L96-L126 HydrophobicContact CD2-CD2 4.11Å; P121-L126 HydrophobicContact CB-CD2 4.06Å; P121-L126 WeakPolarHBondContact O-CA 3.48Å; P121-L126 PolarHBondContact O-N 3.27Å; R124-L126 PolarHBondContact O-N 3.36Å
127R96.4Very high91.6Very high186 Ų18654.9 Ų54.970%0.70228%0.282SS*.SBendtrans-85.9-29.5-179-65.9-175.7-66.7170.8-1.9113.1R21 R124 G125R21-R127 VanDerWaalsContact CG-O 3.3Å; R21-R127 WeakPolarHBondContact CG-O 3.23Å; R124-R127 PolarHBondContact O-N 3.25Å; R124-R127 PolarHBondContact O-NE 3.33Å; G125-R127 PolarHBondContact O-N 2.91Å; G125-R127 VanDerWaalsContact O-N 3.08Å
128V97.4Very high91.4Very high27 Ų2755.1 Ų55.116%0.16428%0.282CS..  trans-153158.4-179.9-67.40000109.4F18 I19 R124F18-V128 HydrophobicContact CB-CB 4.49Å; F18-V128 HydrophobicContact CD1-CG2 4Å; I19-V128 WeakPolarHBondContact O-CA 3.43Å; R124-V128 HydrophobicContact CB-CG2 4.21Å
129I97.7Very high91Very high0 Ų057.9 Ų57.90%030%0.297CS..EExtended strand (participates in β ladder)trans-97.1124160.2-55.4174.9000107.3F18 I19 F31 I53 L56 M118 P121 L131F18-I129 CarbonylContact C-O 3.55Å; F18-I129 WeakPolarHBondContact CA-O 3.35Å; I19-I129 HydrophobicContact CB-CB 4.07Å; I19-I129 HydrophobicContact CD1-CB 4.11Å; I19-I129 HydrophobicContact CD1-CD1 4.5Å; I19-I129 HydrophobicContact CD1-CG2 4.15Å; I19-I129 HydrophobicContact CG1-CB 4.42Å; I19-I129 PolarHBondContact N-O 3.06Å; I19-I129 PolarHBondContact O-N 3.48Å; F31-I129 HydrophobicContact CB-CD1 3.82Å; F31-I129 HydrophobicContact CB-CG1 4.41Å; F31-I129 HydrophobicContact CD1-CD1 4.02Å; F31-I129 HydrophobicContact CD1-CG1 3.65Å; F31-I129 HydrophobicContact CD2-CD1 3.63Å; F31-I129 HydrophobicContact CD2-CG1 3.85Å; F31-I129 HydrophobicContact CE1-CG1 3.77Å; F31-I129 HydrophobicContact CE2-CD1 4.18Å; F31-I129 HydrophobicContact CE2-CG1 3.95Å; F31-I129 HydrophobicContact CG-CD1 3.52Å; F31-I129 HydrophobicContact CG-CG1 3.68Å; F31-I129 HydrophobicContact CZ-CG1 3.91Å; I53-I129 HydrophobicContact CD1-CD1 3.82Å; L56-I129 HydrophobicContact CD1-CD1 4.02Å; M118-I129 HydrophobicContact CE-CG2 3.95Å; M118-I129 HydrophobicContact CG-CG2 3.71Å; M118-I129 HydrophobicContact SD-CG2 4Å; P121-I129 HydrophobicContact CB-CG1 4.4Å; P121-I129 HydrophobicContact CG-CG1 3.93Å; I129-L131 HydrophobicContact CG2-CD2 4.48Å
130E97Very high90.7Very high2 Ų259.7 Ų59.71%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-94.7127.3173.8179.7178.6-175.200109.7R16 I17 F18 I119 R124R16-E130 WeakPolarHBondContact CD-OE1 3.29Å; R16-E130 IonicContact CZ-OE1 3.97Å; R16-E130 IonicContact NE-OE1 3.56Å; R16-E130 IonicContact NH1-OE1 3.26Å; R16-E130 PolarHBondContact NH1-OE1 3.39Å; I17-E130 WeakPolarHBondContact O-CA 3.39Å; F18-E130 HydrophobicContact CD1-CB 4.09Å; F18-E130 HydrophobicContact CD1-CG 4.22Å; F18-E130 HydrophobicContact CE1-CB 4.01Å; F18-E130 HydrophobicContact CE1-CG 3.75Å; F18-E130 HydrophobicContact CZ-CG 4.48Å; I119-E130 HydrophobicContact CB-CB 4.13Å; I119-E130 HydrophobicContact CG1-CB 4.06Å; I119-E130 HydrophobicContact CG1-CG 3.99Å; I119-E130 PolarHBondContact N-O 2.72Å; R124-E130 IonicContact CZ-OE2 3.53Å; R124-E130 IonicContact NE-OE2 2.79Å; R124-E130 PolarHBondContact NE-OE2 3.24Å; R124-E130 IonicContact NH2-OE2 3.46Å; R124-E130 PolarHBondContact NH2-OE2 3.04Å
131L96.3Very high90.3Very high0 Ų062.4 Ų62.40%032%0.319CS..EExtended strand (participates in β ladder)trans-111.5127.8169.7-64.5-179.7000109.3R16 I17 I19 L40 F111 L117 M118 I129R16-L131 CarbonylContact C-O 3.47Å; R16-L131 WeakPolarHBondContact CA-O 3.32Å; I17-L131 HydrophobicContact CB-CB 4.37Å; I17-L131 PolarHBondContact N-O 3.1Å; I17-L131 PolarHBondContact O-N 3.22Å; I19-L131 HydrophobicContact CD1-CD1 3.96Å; I19-L131 HydrophobicContact CD1-CG 4.28Å; L40-L131 HydrophobicContact CD1-CD1 3.59Å; L40-L131 HydrophobicContact CD2-CD1 4.06Å; L40-L131 HydrophobicContact CG-CD1 4.43Å; F111-L131 HydrophobicContact CD1-CD2 4.27Å; F111-L131 HydrophobicContact CE1-CD1 4.43Å; F111-L131 HydrophobicContact CE1-CD2 4.09Å; L117-L131 CarbonylContact O-C 3.59Å; L117-L131 WeakPolarHBondContact O-CA 3.48Å; M118-L131 HydrophobicContact CB-CD2 3.57Å; M118-L131 HydrophobicContact CE-CD2 3.89Å; M118-L131 HydrophobicContact CG-CD2 3.85Å; I129-L131 HydrophobicContact CG2-CD2 4.48Å
132C95.2Very high89.9Confident4 Ų466.3 Ų66.33%0.02734%0.339CS..EExtended strand (participates in β ladder)trans-97.6125.9174.4-78.70000109.1C14 L116 L117C14-C132 VanDerWaalsContact SG-C 3.53Å; C14-C132 WeakPolarHBondContact SG-CA 3.37Å; C14-C132 WeakPolarHBondContact SG-CB 3.42Å; L116-C132 CarbonylContact C-O 3.58Å; L116-C132 VanDerWaalsContact CA-O 3.24Å; L116-C132 WeakPolarHBondContact CA-O 3.48Å; L117-C132 HydrophobicContact CB-CB 4.09Å; L117-C132 PolarHBondContact N-O 3.45Å; L117-C132 PolarHBondContact O-N 2.85Å
133I94.7Very high89.6Confident0 Ų067.6 Ų67.60%034%0.341CS..EExtended strand (participates in β ladder)trans-97.8121173.2-68.9164000109.7C14 E15 I17 Q39 L116C14-I133 WeakPolarHBondContact CA-O 3.28Å; C14-I133 VanDerWaalsContact SG-C 3.53Å; C14-I133 PolarHBondContact SG-N 3.27Å; C14-I133 PolarHBondContact SG-O 3.33Å; E15-I133 HydrophobicContact CB-CB 4.1Å; E15-I133 HydrophobicContact CB-CD1 4.08Å; E15-I133 HydrophobicContact CG-CD1 4.07Å; E15-I133 PolarHBondContact N-O 3.05Å; E15-I133 WeakPolarHBondContact O-CB 3.35Å; E15-I133 PolarHBondContact O-N 3.11Å; I17-I133 HydrophobicContact CD1-CD1 3.44Å; I17-I133 VanDerWaalsContact CD1-CD1 3.44Å; I17-I133 HydrophobicContact CD1-CG1 4.06Å; I17-I133 HydrophobicContact CG1-CD1 3.92Å; Q39-I133 HydrophobicContact CB-CD1 4.05Å; L116-I133 HydrophobicContact CD2-CB 4.29Å; L116-I133 HydrophobicContact CD2-CG1 3.49Å; L116-I133 VanDerWaalsContact CD2-CG1 3.49Å
134F91.1Very high89.2Confident77 Ų7763.2 Ų63.234%0.33832%0.322SS..EExtended strand (participates in β ladder)trans-82.3126.7168.7-55-61.1000110.3L112 G115 L117L112-F134 HydrophobicContact CD2-CE2 4.19Å; G115-F134 PolarHBondContact O-N 3.43Å; L117-F134 HydrophobicContact CB-CE2 3.68Å; L117-F134 HydrophobicContact CB-CZ 3.67Å; L117-F134 HydrophobicContact CD2-CZ 4.04Å; L117-F134 HydrophobicContact CG-CZ 4.48Å
135H81.7Confident88.8Confident84 Ų8462.1 Ų62.139%0.38932%0.324SS..PPolyproline II helixtrans-89.5116.9165.5-63.3-76.9000107.9P13 Q137P13-H135 PolarHBondContact O-CD2 3.44Å; H135-Q137 PolarHBondContact O-N 3.19Å
136S67.9Low88.2Confident119 Ų11962.8 Ų62.883%0.83231%0.305SS*.PPolyproline II helixtrans-63.9119.2162.952.90000107.6
137Q46.5Very low87.4Confident234 Ų23466.6 Ų66.6100%1.09332%0.323SS*.  trans-62.90163.2-68.4-90.1-12.200109.6H135H135-Q137 PolarHBondContact O-N 3.19Å

Retrieved 137 of 137 residues in 115.1 ms (Link to these results)

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