A0A093JQQ0_STRCA Loading...

small monomeric GTPase

AlphaFold DB (P08642), UniProt , Accession A0A093JQQ0, Species STRCA (Struthio camelus australis), Gene n/a, Length 189 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
1M86.5Confident96.9Very high134 Ų13433.3 Ų33.366%0.6617%0.167SC*.  0120.90179.2165.7117.300107.2Q43 T50 L52M1-Q43 HydrophobicContact CE-CB 4.33Å; M1-Q43 HydrophobicContact CE-CG 3.9Å; M1-Q43 HydrophobicContact SD-CG 3.96Å; M1-Q43 PolarHBondContact SD-NE2 3.31Å; M1-T50 HydrophobicContact CG-CG2 4.41Å; M1-T50 HydrophobicContact SD-CG2 3.78Å; M1-L52 HydrophobicContact CE-CB 3.48Å; M1-L52 VanDerWaalsContact CE-CB 3.48Å; M1-L52 HydrophobicContact CE-CD1 3.91Å; M1-L52 HydrophobicContact CE-CG 4.16Å
2T95.8Very high96.7Very high51 Ų5132.8 Ų32.831%0.31318%0.177SC..EExtended strand (participates in β ladder)trans-74.3135.8-178.8-49.30000109.5Y4 E49 C51 L52T2-Y4 HydrophobicContact CG2-CE1 3.96Å; T2-Y4 HydrophobicContact CG2-CE2 3.95Å; T2-E49 PolarHBondContact OG1-OE1 2.86Å; T2-C51 CarbonylContact O-C 3.54Å; T2-C51 VanDerWaalsContact O-CA 3.26Å; T2-C51 WeakPolarHBondContact O-CA 3.27Å; T2-C51 VanDerWaalsContact O-CB 3.27Å; T2-C51 WeakPolarHBondContact O-CB 3.26Å; T2-L52 PolarHBondContact O-N 3.15Å
3E97.8Very high96.5Very high67 Ų6732.2 Ų32.231%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-98.7137.7170.7-17718012500108.9K5 R41 L52 D54E3-K5 WeakPolarHBondContact OE1-CE 3.24Å; E3-R41 IonicContact OE1-NH2 2.94Å; E3-R41 PolarHBondContact OE1-NH2 2.79Å; E3-R41 IonicContact OE2-CZ 3.63Å; E3-R41 IonicContact OE2-NH1 3.63Å; E3-R41 IonicContact OE2-NH2 2.99Å; E3-R41 PolarHBondContact OE2-NH2 2.99Å; E3-L52 CarbonylContact C-O 3.55Å; E3-L52 WeakPolarHBondContact CA-O 3.42Å; E3-L52 HydrophobicContact CB-CB 4.24Å; E3-L52 HydrophobicContact CG-CB 4.19Å; E3-L52 HydrophobicContact CG-CD2 4.16Å; E3-L52 HydrophobicContact CG-CG 4.42Å; E3-D54 HydrophobicContact CG-CB 4.13Å
4Y98.5Very high96.5Very high9 Ų929.9 Ų29.94%0.03517%0.17CC..EExtended strand (participates in β ladder)trans-120.9120.5176.1-64.8-73.4000110.3T2 L6 C51 L52 D54 E76 V160 I163 R164T2-Y4 HydrophobicContact CG2-CE1 3.96Å; T2-Y4 HydrophobicContact CG2-CE2 3.95Å; Y4-L6 PolarHBondContact O-N 2.99Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Y4-L52 PolarHBondContact N-O 3.11Å; Y4-D54 PolarHBondContact O-N 3.28Å; Y4-E76 VanDerWaalsContact CA-OE2 3.29Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.43Å; Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.71Å; Y4-V160 HydrophobicContact CD2-CG2 4.15Å; Y4-V160 HydrophobicContact CE1-CG1 4.31Å; Y4-V160 HydrophobicContact CE2-CG1 3.53Å; Y4-V160 HydrophobicContact CG-CG1 4.18Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; Y4-I163 HydrophobicContact CD1-CB 4.33Å; Y4-I163 HydrophobicContact CD1-CD1 4.38Å; Y4-I163 HydrophobicContact CD1-CG2 3.81Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; Y4-R164 HydrophobicContact CE1-CG 4.22Å; Y4-R164 VanDerWaalsContact OH-CG 3.31Å; Y4-R164 WeakPolarHBondContact OH-CG 3.28Å; Y4-R164 PolarHBondContact OH-NE 2.92Å
5K98.5Very high96.5Very high87 Ų8728.9 Ų28.938%0.37817%0.169SC..EExtended strand (participates in β ladder)trans-89.6102.6179.4-62.9-175.1178.9-173.50110.7E3 D54 E76 G77E3-K5 WeakPolarHBondContact OE1-CE 3.24Å; K5-D54 CarbonylContact C-O 3.58Å; K5-D54 WeakPolarHBondContact CA-O 3.41Å; K5-D54 HydrophobicContact CG-CB 4.34Å; K5-E76 HydrophobicContact CB-CG 4.23Å; K5-E76 PolarHBondContact N-OE2 2.78Å; K5-E76 PolarHBondContact O-N 2.94Å; K5-G77 PolarHBondContact O-N 2.99Å
6L98.8Very high96.6Very high1 Ų127.8 Ų27.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-102.2136.1-176.8-46.5-174.2000109.4Y4 L53 D54 I55 L56 F156 L159 V160 I163Y4-L6 PolarHBondContact O-N 2.99Å; L6-L53 HydrophobicContact CD1-CB 4.38Å; L6-L53 HydrophobicContact CD1-CD1 4.39Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L6-D54 PolarHBondContact N-O 3.41Å; L6-I55 HydrophobicContact CB-CG1 4.19Å; L6-I55 HydrophobicContact CD1-CG1 4.15Å; L6-I55 HydrophobicContact CG-CG1 4.44Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; L6-L56 PolarHBondContact O-N 3.24Å; L6-F156 HydrophobicContact CD1-CD1 3.92Å; L6-L159 HydrophobicContact CB-CD2 4.12Å; L6-L159 HydrophobicContact CD1-CD2 4.4Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.34Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; L6-I163 HydrophobicContact CD2-CD1 3.36Å
7V98.6Very high96.5Very high4 Ų427.5 Ų27.52%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-119.6128.9176.8-175.30000109.4V9 L56 T58 G77 F78 L79V7-V9 HydrophobicContact CG1-CG1 3.87Å; V7-L56 HydrophobicContact CG2-CB 4.45Å; V7-T58 HydrophobicContact CG1-CG2 3.65Å; V7-G77 PolarHBondContact N-O 3.4Å; V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.75Å; V7-F78 HydrophobicContact CG1-CD1 4.24Å; V7-F78 HydrophobicContact CG1-CE1 4.23Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.33Å; V7-L79 PolarHBondContact O-N 3.47Å
8V98.6Very high96.5Very high0 Ų026.9 Ų26.90%016%0.16CC..EExtended strand (participates in β ladder)trans-99.9117.9179.1-168.10000108.7K16 I55 L56 T58 L79 V81 F156V8-K16 HydrophobicContact CB-CB 4.47Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.89Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; V8-L56 PolarHBondContact N-O 3.42Å; V8-T58 PolarHBondContact O-OG1 3.25Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.45Å; V8-V81 HydrophobicContact CG1-CG2 3.6Å; V8-F156 HydrophobicContact CG2-CE1 4.01Å; V8-F156 HydrophobicContact CG2-CZ 4.25Å
9V98.2Very high96.6Very high0 Ų025.5 Ų25.50%015%0.152CC..EExtended strand (participates in β ladder)trans-125.5160.3-177.4-57.50000111.4V7 K16 M72 L79 V81 Y96 I100V7-V9 HydrophobicContact CG1-CG1 3.87Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; V9-M72 HydrophobicContact CG1-CE 3.94Å; V9-L79 WeakPolarHBondContact CG2-O 3.21Å; V9-L79 PolarHBondContact N-O 2.88Å; V9-V81 PolarHBondContact O-N 3.33Å; V9-Y96 HydrophobicContact CB-CD1 3.88Å; V9-Y96 HydrophobicContact CB-CE1 4.37Å; V9-Y96 HydrophobicContact CG2-CD1 4.17Å; V9-Y96 HydrophobicContact CG2-CG 4.4Å; V9-I100 HydrophobicContact CG2-CD1 4.04Å
10G97.9Very high96.6Very high1 Ų124.3 Ų24.31%0.0114%0.144CC..  trans141165.1-175.900000111.9K16 G60 V81 Y96G10-K16 WeakPolarHBondContact O-CE 3.42Å; G10-K16 PolarHBondContact O-NZ 3.21Å; G10-G60 VanDerWaalsContact O-CA 3.26Å; G10-G60 WeakPolarHBondContact O-CA 3.5Å; G10-V81 WeakPolarHBondContact CA-O 3.41Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.45Å
11A96.7Very high96.6Very high12 Ų1224.2 Ų24.210%0.09914%0.143CC..  trans-57.2164-174.800000113.8V14 K16 Y96A11-V14 HydrophobicContact CB-CG1 3.95Å; A11-V14 WeakPolarHBondContact O-CG1 3.44Å; A11-V14 VanDerWaalsContact O-CG2 3.25Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.12Å; A11-Y96 PolarHBondContact N-OH 3.09Å
12G94.6Very high97.1Very high28 Ų2818.4 Ų18.429%0.28911%0.114SC..THydrogen-bonded Turntrans-55.9143.5170.900000111.9V14 G60G12-V14 PolarHBondContact O-N 3.41Å; G12-V14 VanDerWaalsContact O-N 3.16Å; G12-G60 PolarHBondContact N-O 3.2Å; G12-G60 VanDerWaalsContact N-O 3.07Å
13G94Very high97.2Very high25 Ų2516 Ų1626%0.25810%0.1SC..THydrogen-bonded Turntrans71.43.4174.100000116.7G15 Y32 K117G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 3.47Å; G13-Y32 PolarHBondContact N-OH 2.92Å; G13-K117 WeakPolarHBondContact O-CE 2.81Å; G13-K117 PolarHBondContact O-NZ 2.99Å
14V96.7Very high97Very high0 Ų014.6 Ų14.60%09%0.094CC..SBendtrans-74.5-15.5178.2-56.70000113.6A11 G12 K16 V81 A83 N116A11-V14 HydrophobicContact CB-CG1 3.95Å; A11-V14 WeakPolarHBondContact O-CG1 3.44Å; A11-V14 VanDerWaalsContact O-CG2 3.25Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; G12-V14 PolarHBondContact O-N 3.41Å; G12-V14 VanDerWaalsContact O-N 3.16Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.03Å; V14-V81 HydrophobicContact CG2-CG1 3.83Å; V14-A83 HydrophobicContact CB-CB 4.3Å; V14-A83 HydrophobicContact CG1-CB 4.42Å; V14-N116 PolarHBondContact O-ND2 2.91Å
15G96.7Very high96.7Very high15 Ų1519.4 Ų19.416%0.15512%0.117CC..  trans97.430.9176.900000115.4G13 A18 L19G13-G15 VanDerWaalsContact C-N 3.26Å; G13-G15 PolarHBondContact O-N 3.47Å; G15-A18 PolarHBondContact O-N 2.92Å; G15-L19 WeakPolarHBondContact O-CG 3.26Å; G15-L19 PolarHBondContact O-N 3.02Å
16K97.3Very high96.4Very high10 Ų1019.5 Ų19.54%0.04312%0.122CC..Hα-helixtrans-57.2-50.6175.6-56.8-171.4-59.9-740112.3V8 V9 G10 A11 V14 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.47Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.89Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 WeakPolarHBondContact O-CE 3.42Å; G10-K16 PolarHBondContact O-NZ 3.21Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.12Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; K16-L19 PolarHBondContact O-N 2.87Å; K16-T20 PolarHBondContact O-N 3.03Å; K16-T20 PolarHBondContact O-OG1 3.46Å; K16-D57 WeakPolarHBondContact CB-OD1 3.31Å; K16-T58 WeakPolarHBondContact CE-O 3.43Å; K16-T58 PolarHBondContact NZ-O 3.38Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.38Å
17S96.2Very high96Very high24 Ų2424.2 Ų24.217%0.16814%0.143CC..Hα-helixtrans-63.1-44.4176.2-35.90000111.3L19 T20 I21 T35 D57S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.74Å; S17-T20 PolarHBondContact O-N 2.94Å; S17-I21 WeakPolarHBondContact O-CB 3.31Å; S17-I21 VanDerWaalsContact O-CG1 3.25Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 2.69Å; S17-T35 PolarHBondContact OG-OG1 3.4Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD2 2.7Å; S17-D57 PolarHBondContact OG-OD2 2.95Å
18A96.6Very high95.4Very high16 Ų1626.8 Ų26.813%0.13215%0.154CC..Hα-helixtrans-60.8-41.1177.700000112.4G15 Q22 F28 A146G15-A18 PolarHBondContact O-N 2.92Å; A18-Q22 WeakPolarHBondContact O-CB 3.43Å; A18-Q22 PolarHBondContact O-N 2.99Å; A18-F28 HydrophobicContact CB-CD2 4.33Å; A18-F28 HydrophobicContact CB-CE2 4.09Å; A18-A146 HydrophobicContact CB-CB 3.65Å
19L98Very high94.7Very high1 Ų129.6 Ų29.61%0.00517%0.171CC..Hα-helixtrans-64.8-45174.2-74.1172.5000111.8G15 K16 S17 Q22 L23 V81 V114 N116 T144 A146 V152 F156G15-L19 WeakPolarHBondContact O-CG 3.26Å; G15-L19 PolarHBondContact O-N 3.02Å; K16-L19 PolarHBondContact O-N 2.87Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.74Å; L19-Q22 PolarHBondContact O-N 3.45Å; L19-L23 PolarHBondContact O-N 3.29Å; L19-V81 HydrophobicContact CD1-CG1 3.84Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L19-V114 HydrophobicContact CD1-CG1 4.04Å; L19-N116 HydrophobicContact CD1-CB 4.16Å; L19-T144 HydrophobicContact CD2-CG2 4.45Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.22Å; L19-V152 HydrophobicContact CD2-CG2 3.82Å; L19-F156 HydrophobicContact CB-CE2 4.43Å
20T97.1Very high93.8Very high0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-63.9-51.2-179.7-56.90000110.6K16 S17 Q22 L23 I24 Y40 I55K16-T20 PolarHBondContact O-N 3.03Å; K16-T20 PolarHBondContact O-OG1 3.46Å; S17-T20 PolarHBondContact O-N 2.94Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.88Å; T20-L23 WeakPolarHBondContact O-CB 3.29Å; T20-L23 PolarHBondContact O-N 2.84Å; T20-L23 VanDerWaalsContact O-N 3.17Å; T20-I24 HydrophobicContact CG2-CG1 4.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.38Å; T20-I24 PolarHBondContact O-N 3.03Å; T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.96Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.69Å
21I95.3Very high93.1Very high23 Ų2344.1 Ų44.112%0.11824%0.243CC..Hα-helixtrans-61.8-40.9177.7-65.9166.1000110.8S17 L23 I24 Q25 V29S17-I21 WeakPolarHBondContact O-CB 3.31Å; S17-I21 VanDerWaalsContact O-CG1 3.25Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 2.69Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.18Å; I21-I24 PolarHBondContact O-N 3.38Å; I21-Q25 HydrophobicContact CG2-CB 4.28Å; I21-Q25 HydrophobicContact CG2-CG 4.37Å; I21-Q25 WeakPolarHBondContact O-CA 3.25Å; I21-Q25 WeakPolarHBondContact O-CB 3.39Å; I21-Q25 PolarHBondContact O-N 2.84Å; I21-V29 HydrophobicContact CD1-CG2 4.27Å; I21-V29 HydrophobicContact CG2-CG2 4.2Å
22Q97Very high92.2Very high12 Ų1249.4 Ų49.46%0.05626%0.262CS..Hα-helixtrans-62.4-40.6176.7-177.966.2-62.200111.7A18 L19 T20 N26 H27 A146 R149 V152A18-Q22 WeakPolarHBondContact O-CB 3.43Å; A18-Q22 PolarHBondContact O-N 2.99Å; L19-Q22 PolarHBondContact O-N 3.45Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.88Å; Q22-N26 WeakPolarHBondContact O-CA 3.33Å; Q22-N26 PolarHBondContact O-N 2.85Å; Q22-N26 VanDerWaalsContact O-N 3.15Å; Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.28Å; Q22-H27 PolarHBondContact N-O 3.41Å; Q22-H27 PolarHBondContact OE1-O 2.76Å; Q22-A146 WeakPolarHBondContact CG-O 3.41Å; Q22-A146 PolarHBondContact NE2-O 3.4Å; Q22-R149 HydrophobicContact CG-CB 4.17Å; Q22-R149 HydrophobicContact CG-CG 4.11Å; Q22-V152 HydrophobicContact CB-CG1 4.46Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.08Å
23L97.3Very high91.7Very high2 Ų254.3 Ų54.31%0.0128%0.281CS..Hα-helixtrans-63.1-48.8173.1-176.477000111.1L19 T20 I21 K42 L53 I55 V152 E153 F156 Y157L19-L23 PolarHBondContact O-N 3.29Å; T20-L23 WeakPolarHBondContact O-CB 3.29Å; T20-L23 PolarHBondContact O-N 2.84Å; T20-L23 VanDerWaalsContact O-N 3.17Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.18Å; L23-K42 HydrophobicContact CG-CD 4.31Å; L23-K42 WeakPolarHBondContact O-CE 2.94Å; L23-K42 PolarHBondContact O-NZ 3.12Å; L23-L53 HydrophobicContact CD2-CD1 4.04Å; L23-I55 HydrophobicContact CD2-CD1 3.41Å; L23-I55 VanDerWaalsContact CD2-CD1 3.41Å; L23-V152 HydrophobicContact CB-CG1 3.88Å; L23-V152 HydrophobicContact CD1-CG1 4.29Å; L23-E153 HydrophobicContact CD1-CG 3.87Å; L23-F156 HydrophobicContact CB-CD2 4.23Å; L23-F156 HydrophobicContact CB-CE2 4.09Å; L23-F156 HydrophobicContact CD1-CD2 4.11Å; L23-F156 HydrophobicContact CD2-CB 4.01Å; L23-F156 HydrophobicContact CD2-CD1 3.88Å; L23-F156 HydrophobicContact CD2-CD2 3.61Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.99Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.27Å; L23-F156 HydrophobicContact CG-CD2 4.19Å; L23-F156 HydrophobicContact CG-CE2 4.5Å; L23-Y157 HydrophobicContact CD1-CE1 4.49Å
24I94.9Very high91.3Very high36 Ų3656.5 Ų56.519%0.18529%0.291CS..Hα-helixtrans-75.1-45.7-169.6-59.8-69.5000111.9T20 I21 Y40 K42 I55T20-I24 HydrophobicContact CG2-CG1 4.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.38Å; T20-I24 PolarHBondContact O-N 3.03Å; I21-I24 PolarHBondContact O-N 3.38Å; I24-Y40 HydrophobicContact CG1-CD1 4.32Å; I24-Y40 HydrophobicContact CG1-CG 4.15Å; I24-Y40 HydrophobicContact CG2-CD1 4.32Å; I24-K42 HydrophobicContact CD1-CB 3.47Å; I24-K42 VanDerWaalsContact CD1-CB 3.47Å; I24-K42 HydrophobicContact CD1-CD 4.3Å; I24-K42 HydrophobicContact CD1-CG 4.41Å; I24-I55 HydrophobicContact CD1-CD1 4.1Å
25Q92.4Very high90.6Very high110 Ų11057.6 Ų57.651%0.51430%0.297SS..Hα-helixtrans-111.5-4.8-166-58-178.1-1.900113.5I21 H27I21-Q25 HydrophobicContact CG2-CB 4.28Å; I21-Q25 HydrophobicContact CG2-CG 4.37Å; I21-Q25 WeakPolarHBondContact O-CA 3.25Å; I21-Q25 WeakPolarHBondContact O-CB 3.39Å; I21-Q25 PolarHBondContact O-N 2.84Å; Q25-H27 HydrophobicContact CB-CB 4.12Å; Q25-H27 PolarHBondContact O-N 2.81Å
26N92.5Very high90Very high90 Ų9061 Ų6148%0.48131%0.311SS..SBendtrans51.138.4-169.8-59.3-50.2000112Q22 R149Q22-N26 WeakPolarHBondContact O-CA 3.33Å; Q22-N26 PolarHBondContact O-N 2.85Å; Q22-N26 VanDerWaalsContact O-N 3.15Å; N26-R149 PolarHBondContact OD1-NH1 3.19Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å
27H89.4Confident89.7Confident100 Ų10064.1 Ų64.146%0.46333%0.326SS..  trans-131.5143.2-177.9-17561.4000110.7Q22 Q25Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.28Å; Q22-H27 PolarHBondContact N-O 3.41Å; Q22-H27 PolarHBondContact OE1-O 2.76Å; Q25-H27 HydrophobicContact CB-CB 4.12Å; Q25-H27 PolarHBondContact O-N 2.81Å
28F86.6Confident89.6Confident58 Ų5866.6 Ų66.625%0.25434%0.337SS..  trans-111123.5173.5174.3-105.6000109.7A18 D30 A146 K147A18-F28 HydrophobicContact CB-CD2 4.33Å; A18-F28 HydrophobicContact CB-CE2 4.09Å; F28-D30 HydrophobicContact CD1-CB 4.42Å; F28-D30 HydrophobicContact CE1-CB 3.77Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.01Å; F28-D30 HydrophobicContact CZ-CB 4.48Å; F28-A146 HydrophobicContact CD2-CB 4.03Å; F28-A146 HydrophobicContact CE2-CB 4.11Å; F28-K147 HydrophobicContact CD1-CB 4.34Å; F28-K147 HydrophobicContact CD1-CG 4.11Å; F28-K147 HydrophobicContact CD2-CB 4.22Å; F28-K147 HydrophobicContact CE1-CB 4.25Å; F28-K147 HydrophobicContact CE1-CD 4.44Å; F28-K147 HydrophobicContact CE1-CG 4.08Å; F28-K147 HydrophobicContact CE2-CB 4.13Å; F28-K147 HydrophobicContact CG-CB 4.33Å; F28-K147 HydrophobicContact CG-CG 4.48Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.45Å
29V83.1Confident89.5Confident59 Ų5969.5 Ų69.536%0.35836%0.356SS..  trans-97.7115.9174.2-175.30000107.8I21I21-V29 HydrophobicContact CD1-CG2 4.27Å; I21-V29 HydrophobicContact CG2-CG2 4.2Å
30D80.3Confident89.4Confident134 Ų13471.4 Ų71.472%0.71736%0.364SS*.  trans-82.1-27.6-177.3-160.830.3000112.3F28F28-D30 HydrophobicContact CD1-CB 4.42Å; F28-D30 HydrophobicContact CE1-CB 3.77Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.01Å; F28-D30 HydrophobicContact CZ-CB 4.48Å
31E82.8Confident89.4Confident172 Ų17277.7 Ų77.780%0.80439%0.388SS*.SBendtrans-74.6130.1176.9-169.9168.7-167.300110.8
32Y77Confident89.5Confident123 Ų12378.6 Ų78.648%0.48239%0.391SS..  trans-95.7112.5177.4176.2-106.4000110.4G13 P34G13-Y32 PolarHBondContact N-OH 2.92Å; Y32-P34 HydrophobicContact CE1-CG 4.02Å
33D84.2Confident89.5Confident130 Ų13084.1 Ų84.170%0.69542%0.416SS*.  trans-110124.4166.9-169.512.1000109.8T35D33-T35 PolarHBondContact O-N 3.18Å
34P86.1Confident89.5Confident71 Ų7184.5 Ų84.546%0.46142%0.419SS..  trans-47.2102.9169.7-36.642.1000115.2Y32Y32-P34 HydrophobicContact CE1-CG 4.02Å
35T82.8Confident89.7Confident23 Ų2387 Ų8714%0.14144%0.436CS..  trans-70.3140.9172.7-43.20000112S17 D33 A59S17-T35 PolarHBondContact OG-OG1 3.4Å; D33-T35 PolarHBondContact O-N 3.18Å; T35-A59 VanDerWaalsContact O-CA 3.29Å; T35-A59 WeakPolarHBondContact O-CA 3.34Å; T35-A59 WeakPolarHBondContact O-CB 3.29Å
36I83.6Confident89.9Confident87 Ų8781.9 Ų81.945%0.44641%0.412SS..SBendtrans-88.4-61.5164.2-62.7179.3000108.3A59 Y64 M67I36-A59 WeakPolarHBondContact O-CA 3.5Å; I36-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 PolarHBondContact O-N 3.08Å; I36-Y64 HydrophobicContact CG1-CE1 4.26Å; I36-Y64 HydrophobicContact CG2-CD1 4.45Å; I36-Y64 HydrophobicContact CG2-CE1 4.13Å; I36-M67 HydrophobicContact CG2-CE 3.57Å; I36-M67 HydrophobicContact CG2-SD 4.06Å; I36-M67 VanDerWaalsContact O-CE 3.29Å; I36-M67 WeakPolarHBondContact O-CE 3.29Å
37E89.8Confident90.1Very high76 Ų7682.5 Ų82.536%0.35542%0.415SS..EExtended strand (participates in β ladder)trans-162.5154.1168.465.8-160.4-13400109.4D57 M67 Y71E37-D57 VanDerWaalsContact CA-O 3.28Å; E37-D57 WeakPolarHBondContact CA-O 3.29Å; E37-M67 HydrophobicContact CB-CE 4.41Å; E37-M67 VanDerWaalsContact OE2-CE 3.24Å; E37-M67 WeakPolarHBondContact OE2-CE 3.4Å; E37-M67 VanDerWaalsContact OE2-SD 3.41Å; E37-Y71 HydrophobicContact CB-CE2 4.39Å; E37-Y71 PolarHBondContact OE1-OH 2.91Å; E37-Y71 VanDerWaalsContact OE1-OH 3.09Å; E37-Y71 VanDerWaalsContact OE2-CE2 3.28Å; E37-Y71 WeakPolarHBondContact OE2-CE2 3.32Å; E37-Y71 PolarHBondContact OE2-OH 3.4Å
38D94Very high90.5Very high76 Ų7681.1 Ų81.141%0.40643%0.428SS..EExtended strand (participates in β ladder)trans-146.8142.5167.5-82.6-55.5000109.9Y40 D57D38-Y40 HydrophobicContact CB-CD2 4.26Å; D38-Y40 HydrophobicContact CB-CE2 3.38Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.03Å
39S94.9Very high91Very high76 Ų7681.9 Ų81.953%0.53143%0.432SS..EExtended strand (participates in β ladder)trans-110.2130.4177.11760000110.7D54 I55S39-D54 PolarHBondContact OG-OD1 2.85Å; S39-I55 WeakPolarHBondContact CA-O 3.33Å
40Y96.5Very high91.7Very high42 Ų4282 Ų8217%0.16543%0.433CS..EExtended strand (participates in β ladder)trans-128145.1179.7-59.2-90.2000110.6T20 I24 D38 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.9Å; T20-Y40 HydrophobicContact CG2-CG 3.96Å; I24-Y40 HydrophobicContact CG1-CD1 4.32Å; I24-Y40 HydrophobicContact CG1-CG 4.15Å; I24-Y40 HydrophobicContact CG2-CD1 4.32Å; D38-Y40 HydrophobicContact CB-CD2 4.26Å; D38-Y40 HydrophobicContact CB-CE2 3.38Å; Y40-I55 PolarHBondContact N-O 3.27Å; Y40-I55 PolarHBondContact O-N 2.88Å; Y40-D57 HydrophobicContact CE2-CB 4.39Å
41R97Very high92.5Very high131 Ų13175.6 Ų75.649%0.49440%0.399SS..EExtended strand (participates in β ladder)trans-125.4133.1177-72.9-179.5159.7-138.8-14.6111E3 L52 L53 D54E3-R41 IonicContact OE1-NH2 2.94Å; E3-R41 PolarHBondContact OE1-NH2 2.79Å; E3-R41 IonicContact OE2-CZ 3.63Å; E3-R41 IonicContact OE2-NH1 3.63Å; E3-R41 IonicContact OE2-NH2 2.99Å; E3-R41 PolarHBondContact OE2-NH2 2.99Å; R41-L52 HydrophobicContact CB-CD1 4.32Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.49Å; R41-D54 HydrophobicContact CG-CB 4.45Å; R41-D54 IonicContact CZ-OD2 3.51Å; R41-D54 IonicContact NE-OD1 3.58Å; R41-D54 IonicContact NE-OD2 3.4Å; R41-D54 PolarHBondContact NE-OD2 2.62Å; R41-D54 IonicContact NH2-OD2 2.78Å; R41-D54 PolarHBondContact NH2-OD2 2.9Å
42K96.9Very high93.3Very high42 Ų4268.8 Ų68.818%0.18337%0.368CS..EExtended strand (participates in β ladder)trans-141.4127.8175.5-172.7-175.6-172.4-176.40111.4L23 I24 V44 L53L23-K42 HydrophobicContact CG-CD 4.31Å; L23-K42 WeakPolarHBondContact O-CE 2.94Å; L23-K42 PolarHBondContact O-NZ 3.12Å; I24-K42 HydrophobicContact CD1-CB 3.47Å; I24-K42 VanDerWaalsContact CD1-CB 3.47Å; I24-K42 HydrophobicContact CD1-CD 4.3Å; I24-K42 HydrophobicContact CD1-CG 4.41Å; K42-V44 HydrophobicContact CD-CG1 3.78Å; K42-V44 HydrophobicContact CG-CG1 3.84Å; K42-L53 PolarHBondContact N-O 3.35Å; K42-L53 PolarHBondContact O-N 2.87Å
43Q97.9Very high94.3Very high128 Ų12863 Ų6360%0.59835%0.345SS*.EExtended strand (participates in β ladder)trans-79.6129.8169.2-173.7-18034.800109.5M1 T50 C51M1-Q43 HydrophobicContact CE-CB 4.33Å; M1-Q43 HydrophobicContact CE-CG 3.9Å; M1-Q43 HydrophobicContact SD-CG 3.96Å; M1-Q43 PolarHBondContact SD-NE2 3.31Å; Q43-T50 HydrophobicContact CG-CG2 3.8Å; Q43-C51 WeakPolarHBondContact CA-O 3.28Å
44V97.5Very high95Very high11 Ų1158 Ų587%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-140.7163-179.9-62.40000110.6K42 I46 T50 C51 L53 Y157K42-V44 HydrophobicContact CD-CG1 3.78Å; K42-V44 HydrophobicContact CG-CG1 3.84Å; V44-I46 HydrophobicContact CG2-CD1 3.7Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; V44-T50 WeakPolarHBondContact O-CA 3.35Å; V44-C51 PolarHBondContact N-O 3.09Å; V44-C51 PolarHBondContact O-N 2.86Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.89Å; V44-L53 HydrophobicContact CG2-CD2 3.91Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; V44-Y157 HydrophobicContact CB-CE1 4.22Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.12Å
45V97.9Very high95.5Very high88 Ų8854.6 Ų54.653%0.53330%0.297SS..EExtended strand (participates in β ladder)trans-110116.6171.4-177.10000108.2E49V45-E49 WeakPolarHBondContact CA-O 3.48Å
46I97.8Very high96.3Very high2 Ų254.9 Ų54.91%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-123117.9-180-58.8169.7000108V44 G48 E49 L53 Y157 V160 R164V44-I46 HydrophobicContact CG2-CD1 3.7Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 2.84Å; I46-E49 PolarHBondContact N-O 3.32Å; I46-E49 PolarHBondContact O-N 3.42Å; I46-L53 HydrophobicContact CD1-CD2 4.21Å; I46-Y157 HydrophobicContact CD1-CD1 3.41Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.41Å; I46-Y157 HydrophobicContact CD1-CE1 4.01Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.73Å; I46-Y157 HydrophobicContact CG1-CD2 4.15Å; I46-Y157 HydrophobicContact CG1-CE1 4.1Å; I46-Y157 HydrophobicContact CG1-CE2 4.48Å; I46-Y157 HydrophobicContact CG1-CG 3.78Å; I46-V160 HydrophobicContact CD1-CB 3.85Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.75Å; I46-R164 PolarHBondContact O-NH1 3.34Å; I46-R164 PolarHBondContact O-NH2 3.1Å
47D97.1Very high96.8Very high103 Ų10350.7 Ų50.755%0.55128%0.276SS*.THydrogen-bonded Turntrans56.340.8-178.2-47.4-36.5000112.4E49 R161 R164D47-E49 PolarHBondContact O-N 3.35Å; D47-R161 IonicContact OD1-CZ 2.83Å; D47-R161 IonicContact OD1-NE 3.67Å; D47-R161 PolarHBondContact OD1-NE 3.43Å; D47-R161 IonicContact OD1-NH2 3.21Å; D47-R161 PolarHBondContact OD1-NH2 3.08Å; D47-R161 WeakPolarHBondContact OD2-CG 3.46Å; D47-R161 IonicContact OD2-CZ 3.89Å; D47-R161 IonicContact OD2-NE 3.11Å; D47-R161 PolarHBondContact OD2-NE 3.16Å; D47-R161 IonicContact OD2-NH2 3.47Å; D47-R164 IonicContact OD2-NH1 2.74Å; D47-R164 PolarHBondContact OD2-NH1 3.27Å
48G96.7Very high97Very high71 Ų7147.2 Ų47.273%0.73226%0.259SS*.THydrogen-bonded Turntrans80-8.4-18000000115.4I46I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 2.84Å
49E97Very high97Very high75 Ų7543.6 Ų43.635%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-98.9128.3177.6-172.4-167.3167.300110.9T2 V45 I46 D47 R164T2-E49 PolarHBondContact OG1-OE1 2.86Å; V45-E49 WeakPolarHBondContact CA-O 3.48Å; I46-E49 PolarHBondContact N-O 3.32Å; I46-E49 PolarHBondContact O-N 3.42Å; D47-E49 PolarHBondContact O-N 3.35Å; E49-R164 IonicContact OE2-CZ 3.18Å; E49-R164 VanDerWaalsContact OE2-CZ 3.3Å; E49-R164 IonicContact OE2-NE 3.73Å; E49-R164 IonicContact OE2-NH2 3.09Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å
50T97.8Very high96.7Very high60 Ų6040.3 Ų40.337%0.36822%0.219SC..EExtended strand (participates in β ladder)trans-76.8127.9171.9-550000110.3M1 Q43 V44M1-T50 HydrophobicContact CG-CG2 4.41Å; M1-T50 HydrophobicContact SD-CG2 3.78Å; Q43-T50 HydrophobicContact CG-CG2 3.8Å; V44-T50 WeakPolarHBondContact O-CA 3.35Å
51C98Very high96.4Very high0 Ų040.3 Ų40.30%022%0.22CC..EExtended strand (participates in β ladder)trans-139.4163.5178.763.20000112.4T2 Y4 Q43 V44T2-C51 CarbonylContact O-C 3.54Å; T2-C51 VanDerWaalsContact O-CA 3.26Å; T2-C51 WeakPolarHBondContact O-CA 3.27Å; T2-C51 VanDerWaalsContact O-CB 3.27Å; T2-C51 WeakPolarHBondContact O-CB 3.26Å; Y4-C51 HydrophobicContact CD2-CB 3.78Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Q43-C51 WeakPolarHBondContact CA-O 3.28Å; V44-C51 PolarHBondContact N-O 3.09Å; V44-C51 PolarHBondContact O-N 2.86Å
52L98.3Very high95.9Very high30 Ų3039.4 Ų39.416%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-100125.7170.5-16759.6000108.9M1 T2 E3 Y4 R41M1-L52 HydrophobicContact CE-CB 3.48Å; M1-L52 VanDerWaalsContact CE-CB 3.48Å; M1-L52 HydrophobicContact CE-CD1 3.91Å; M1-L52 HydrophobicContact CE-CG 4.16Å; T2-L52 PolarHBondContact O-N 3.15Å; E3-L52 CarbonylContact C-O 3.55Å; E3-L52 WeakPolarHBondContact CA-O 3.42Å; E3-L52 HydrophobicContact CB-CB 4.24Å; E3-L52 HydrophobicContact CG-CB 4.19Å; E3-L52 HydrophobicContact CG-CD2 4.16Å; E3-L52 HydrophobicContact CG-CG 4.42Å; Y4-L52 PolarHBondContact N-O 3.11Å; R41-L52 HydrophobicContact CB-CD1 4.32Å
53L98.5Very high95.6Very high0 Ų044.9 Ų44.90%025%0.248CC..EExtended strand (participates in β ladder)trans-88.9121.1163.9-48.2-172.9000107.7L6 L23 R41 K42 V44 I46 I55 F156 Y157 V160L6-L53 HydrophobicContact CD1-CB 4.38Å; L6-L53 HydrophobicContact CD1-CD1 4.39Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L23-L53 HydrophobicContact CD2-CD1 4.04Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.49Å; K42-L53 PolarHBondContact N-O 3.35Å; K42-L53 PolarHBondContact O-N 2.87Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.89Å; V44-L53 HydrophobicContact CG2-CD2 3.91Å; V44-L53 HydrophobicContact CG2-CG 3.71Å; I46-L53 HydrophobicContact CD1-CD2 4.21Å; L53-I55 HydrophobicContact CB-CD1 3.98Å; L53-I55 HydrophobicContact CB-CG1 3.95Å; L53-I55 HydrophobicContact CD1-CD1 4.26Å; L53-F156 HydrophobicContact CD1-CB 4.5Å; L53-Y157 HydrophobicContact CD1-CE1 4.34Å; L53-V160 HydrophobicContact CD2-CG2 3.57Å
54D98.2Very high95.3Very high26 Ų2642.6 Ų42.614%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-10597168.1-170.21.6000107.4E3 Y4 K5 L6 S39 R41E3-D54 HydrophobicContact CG-CB 4.13Å; Y4-D54 PolarHBondContact O-N 3.28Å; K5-D54 CarbonylContact C-O 3.58Å; K5-D54 WeakPolarHBondContact CA-O 3.41Å; K5-D54 HydrophobicContact CG-CB 4.34Å; L6-D54 PolarHBondContact N-O 3.41Å; S39-D54 PolarHBondContact OG-OD1 2.85Å; R41-D54 HydrophobicContact CG-CB 4.45Å; R41-D54 IonicContact CZ-OD2 3.51Å; R41-D54 IonicContact NE-OD1 3.58Å; R41-D54 IonicContact NE-OD2 3.4Å; R41-D54 PolarHBondContact NE-OD2 2.62Å; R41-D54 IonicContact NH2-OD2 2.78Å; R41-D54 PolarHBondContact NH2-OD2 2.9Å
55I98.4Very high94.9Very high0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-102.4123.7-169.9-59.5167.9000108.5L6 V8 T20 L23 I24 S39 Y40 L53 F156L6-I55 HydrophobicContact CB-CG1 4.19Å; L6-I55 HydrophobicContact CD1-CG1 4.15Å; L6-I55 HydrophobicContact CG-CG1 4.44Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.69Å; L23-I55 HydrophobicContact CD2-CD1 3.41Å; L23-I55 VanDerWaalsContact CD2-CD1 3.41Å; I24-I55 HydrophobicContact CD1-CD1 4.1Å; S39-I55 WeakPolarHBondContact CA-O 3.33Å; Y40-I55 PolarHBondContact N-O 3.27Å; Y40-I55 PolarHBondContact O-N 2.88Å; L53-I55 HydrophobicContact CB-CD1 3.98Å; L53-I55 HydrophobicContact CB-CG1 3.95Å; L53-I55 HydrophobicContact CD1-CD1 4.26Å; I55-F156 HydrophobicContact CD1-CD1 3.78Å; I55-F156 HydrophobicContact CD1-CE1 3.7Å; I55-F156 HydrophobicContact CD1-CZ 4.49Å; I55-F156 HydrophobicContact CG1-CD1 4.35Å; I55-F156 HydrophobicContact CG1-CE1 4.21Å; I55-F156 HydrophobicContact CG2-CE1 3.92Å
56L97.6Very high94.5Very high28 Ų2843.2 Ų43.215%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-104.9113.5171-172.573.1000109.9L6 V7 V8 T58 Y71L6-L56 PolarHBondContact O-N 3.24Å; V7-L56 HydrophobicContact CG2-CB 4.45Å; V8-L56 PolarHBondContact N-O 3.42Å; L56-T58 HydrophobicContact CD2-CG2 4.28Å; L56-T58 HydrophobicContact CG-CG2 4.27Å; L56-Y71 VanDerWaalsContact CD2-CB 3.46Å; L56-Y71 HydrophobicContact CD2-CD1 3.28Å; L56-Y71 HydrophobicContact CD2-CD2 3.78Å; L56-Y71 HydrophobicContact CD2-CE1 4.04Å; L56-Y71 HydrophobicContact CD2-CE2 4.42Å; L56-Y71 HydrophobicContact CD2-CG 3.19Å
57D95.5Very high94.2Very high0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-82.4138.1167-173.828.4000109.5K16 S17 E37 D38 Y40K16-D57 WeakPolarHBondContact CB-OD1 3.31Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD2 2.7Å; S17-D57 PolarHBondContact OG-OD2 2.95Å; E37-D57 VanDerWaalsContact CA-O 3.28Å; E37-D57 WeakPolarHBondContact CA-O 3.29Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.03Å; Y40-D57 HydrophobicContact CE2-CB 4.39Å
58T94.6Very high93.9Very high2 Ų240.5 Ų40.51%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-124.6154.4-170.668.90000112.6V7 V8 K16 L56 G60 Y71V7-T58 HydrophobicContact CG1-CG2 3.65Å; V8-T58 PolarHBondContact O-OG1 3.25Å; K16-T58 WeakPolarHBondContact CE-O 3.43Å; K16-T58 PolarHBondContact NZ-O 3.38Å; L56-T58 HydrophobicContact CD2-CG2 4.28Å; L56-T58 HydrophobicContact CG-CG2 4.27Å; T58-G60 PolarHBondContact O-N 3.29Å; T58-Y71 HydrophobicContact CG2-CD2 4.24Å
59A92.8Very high93.8Very high0 Ų039 Ų390%021%0.207CC..  trans-55.8135.2168.400000112.7T35 I36 Y64 R68T35-A59 VanDerWaalsContact O-CA 3.29Å; T35-A59 WeakPolarHBondContact O-CA 3.34Å; T35-A59 WeakPolarHBondContact O-CB 3.29Å; I36-A59 WeakPolarHBondContact O-CA 3.5Å; I36-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 PolarHBondContact O-N 3.08Å; A59-Y64 VanDerWaalsContact CB-CB 3.5Å; A59-Y64 HydrophobicContact CB-CD1 4.4Å; A59-Y64 HydrophobicContact CB-CD2 3.44Å; A59-Y64 VanDerWaalsContact CB-CD2 3.44Å; A59-Y64 HydrophobicContact CB-CE2 4.25Å; A59-Y64 HydrophobicContact CB-CG 3.53Å; A59-R68 PolarHBondContact O-NH1 2.87Å
60G88.5Confident93.7Very high8 Ų841.3 Ų41.38%0.08222%0.218CC..  trans-95.5-4.3176.400000115.1G10 G12 K16 T58 Y96G10-G60 VanDerWaalsContact O-CA 3.26Å; G10-G60 WeakPolarHBondContact O-CA 3.5Å; G12-G60 PolarHBondContact N-O 3.2Å; G12-G60 VanDerWaalsContact N-O 3.07Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å; T58-G60 PolarHBondContact O-N 3.29Å; G60-Y96 PolarHBondContact O-OH 3.35Å
61Q89.5Confident93.4Very high41 Ų4139.8 Ų39.819%0.19221%0.205CC..SBendtrans-87.6148.8-178.2-47.177.6-600110.3E63 Y64 R68Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.46Å; Q61-E63 PolarHBondContact O-N 3.4Å; Q61-Y64 HydrophobicContact CB-CD2 4.02Å; Q61-Y64 HydrophobicContact CB-CE2 4.35Å; Q61-Y64 PolarHBondContact O-N 3.37Å; Q61-R68 PolarHBondContact O-NH1 3.25Å
62E88Confident93.4Very high113 Ų11339.8 Ų39.853%0.52821%0.206SC..G310 helixtrans-71.6-25.9-169.2-170.858.5-171.300113.1Y64 S65 R68E62-Y64 PolarHBondContact O-N 3.27Å; E62-Y64 VanDerWaalsContact O-N 3.14Å; E62-S65 WeakPolarHBondContact O-CB 3.43Å; E62-S65 PolarHBondContact O-N 2.77Å; E62-S65 PolarHBondContact O-OG 2.99Å; E62-R68 IonicContact OE2-NH2 3.61Å; E62-R68 PolarHBondContact OE2-NH2 3.13Å; E62-R68 VanDerWaalsContact OE2-NH2 3.11Å
63E90.6Very high93.3Very high157 Ų15745.8 Ų45.873%0.73423%0.226SC*.G310 helixtrans-61.8-22.3177.5-58.477.8-16800112.5Q61Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.46Å; Q61-E63 PolarHBondContact O-N 3.4Å
64Y90.7Very high93.1Very high79 Ų7949.8 Ų49.831%0.3125%0.251SS..G310 helixtrans-94.910177.3-60.1-75.5000113.8I36 A59 Q61 E62 A66 M67 R68I36-Y64 HydrophobicContact CG1-CE1 4.26Å; I36-Y64 HydrophobicContact CG2-CD1 4.45Å; I36-Y64 HydrophobicContact CG2-CE1 4.13Å; A59-Y64 VanDerWaalsContact CB-CB 3.5Å; A59-Y64 HydrophobicContact CB-CD1 4.4Å; A59-Y64 HydrophobicContact CB-CD2 3.44Å; A59-Y64 VanDerWaalsContact CB-CD2 3.44Å; A59-Y64 HydrophobicContact CB-CE2 4.25Å; A59-Y64 HydrophobicContact CB-CG 3.53Å; Q61-Y64 HydrophobicContact CB-CD2 4.02Å; Q61-Y64 HydrophobicContact CB-CE2 4.35Å; Q61-Y64 PolarHBondContact O-N 3.37Å; E62-Y64 PolarHBondContact O-N 3.27Å; E62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.66Å; Y64-M67 HydrophobicContact CD1-CE 4.05Å; Y64-M67 HydrophobicContact CD1-SD 4.32Å; Y64-M67 HydrophobicContact CG-CE 4.49Å; Y64-M67 WeakPolarHBondContact O-CB 3.44Å; Y64-M67 PolarHBondContact O-N 3.47Å; Y64-M67 VanDerWaalsContact O-N 3.09Å; Y64-R68 PolarHBondContact O-N 2.97Å
65S89.1Confident93.1Very high36 Ų3648.6 Ų48.625%0.25224%0.244SC..Hα-helixtrans-54.8-43.3-179.3550000113.6E62 M67 R68 D69 Q99E62-S65 WeakPolarHBondContact O-CB 3.43Å; E62-S65 PolarHBondContact O-N 2.77Å; E62-S65 PolarHBondContact O-OG 2.99Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 3.2Å; S65-R68 WeakPolarHBondContact O-CB 3.18Å; S65-R68 PolarHBondContact O-N 2.92Å; S65-D69 PolarHBondContact O-N 3.4Å; S65-Q99 PolarHBondContact O-NE2 3.41Å
66A90.1Very high93.1Very high76 Ų7651.2 Ų51.263%0.62826%0.257SS*.Hα-helixtrans-64.5-34.8177.800000112.8Y64 D69Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.66Å; A66-D69 PolarHBondContact O-N 2.95Å
67M90.9Very high93.1Very high47 Ų4749.9 Ų49.923%0.23225%0.25CC..Hα-helixtrans-69.7-39.2176.1-163178.777.600110.8I36 E37 Y64 S65 D69 Q70 Y71I36-M67 HydrophobicContact CG2-CE 3.57Å; I36-M67 HydrophobicContact CG2-SD 4.06Å; I36-M67 VanDerWaalsContact O-CE 3.29Å; I36-M67 WeakPolarHBondContact O-CE 3.29Å; E37-M67 HydrophobicContact CB-CE 4.41Å; E37-M67 VanDerWaalsContact OE2-CE 3.24Å; E37-M67 WeakPolarHBondContact OE2-CE 3.4Å; E37-M67 VanDerWaalsContact OE2-SD 3.41Å; Y64-M67 HydrophobicContact CD1-CE 4.05Å; Y64-M67 HydrophobicContact CD1-SD 4.32Å; Y64-M67 HydrophobicContact CG-CE 4.49Å; Y64-M67 WeakPolarHBondContact O-CB 3.44Å; Y64-M67 PolarHBondContact O-N 3.47Å; Y64-M67 VanDerWaalsContact O-N 3.09Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 3.2Å; M67-D69 VanDerWaalsContact C-N 3.26Å; M67-D69 PolarHBondContact O-N 3.28Å; M67-Q70 WeakPolarHBondContact O-CB 3.35Å; M67-Q70 PolarHBondContact O-N 3.41Å; M67-Q70 VanDerWaalsContact O-N 3.11Å; M67-Y71 HydrophobicContact CE-CE2 3.89Å; M67-Y71 HydrophobicContact CG-CE2 3.65Å; M67-Y71 WeakPolarHBondContact O-CD2 3.25Å; M67-Y71 HydrophobicContact SD-CE2 4.35Å
68R92.1Very high93.3Very high2 Ų249.9 Ų49.91%0.00825%0.25CC..Hα-helixtrans-58.6-34.1174.1-69.4-168.6-67.1-97.52.4113.1A59 Q61 E62 Y64 S65 Q70 Y71 M72A59-R68 PolarHBondContact O-NH1 2.87Å; Q61-R68 PolarHBondContact O-NH1 3.25Å; E62-R68 IonicContact OE2-NH2 3.61Å; E62-R68 PolarHBondContact OE2-NH2 3.13Å; E62-R68 VanDerWaalsContact OE2-NH2 3.11Å; Y64-R68 PolarHBondContact O-N 2.97Å; S65-R68 WeakPolarHBondContact O-CB 3.18Å; S65-R68 PolarHBondContact O-N 2.92Å; R68-Q70 PolarHBondContact O-N 3.17Å; R68-Y71 PolarHBondContact O-N 3.32Å; R68-Y71 VanDerWaalsContact O-N 3.12Å; R68-M72 HydrophobicContact CB-CE 4.27Å; R68-M72 WeakPolarHBondContact O-CB 3.34Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.39Å; R68-M72 PolarHBondContact O-N 3.4Å
69D93.9Very high93.5Very high38 Ų3849.8 Ų49.820%0.20325%0.249CC..Hα-helixtrans-59.2-36.3176.9-812.9000112S65 A66 M67 R73 Q99 R102 V103S65-D69 PolarHBondContact O-N 3.4Å; A66-D69 PolarHBondContact O-N 2.95Å; M67-D69 VanDerWaalsContact C-N 3.26Å; M67-D69 PolarHBondContact O-N 3.28Å; D69-R73 PolarHBondContact O-N 3.32Å; D69-R73 VanDerWaalsContact O-N 3.1Å; D69-Q99 WeakPolarHBondContact OD1-CG 3.5Å; D69-Q99 PolarHBondContact OD1-NE2 3.08Å; D69-R102 IonicContact OD1-NH2 3.5Å; D69-R102 IonicContact OD2-NH2 3.36Å; D69-V103 HydrophobicContact CB-CG2 3.96Å; D69-V103 VanDerWaalsContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact O-CG1 3.28Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.33Å
70Q93.8Very high93.8Very high125 Ų12549.9 Ų49.958%0.58425%0.25SC*.Hα-helixtrans-64.1-43.5176.3-178.4174.4-38.900111.2M67 R68 R73 T74M67-Q70 WeakPolarHBondContact O-CB 3.35Å; M67-Q70 PolarHBondContact O-N 3.41Å; M67-Q70 VanDerWaalsContact O-N 3.11Å; R68-Q70 PolarHBondContact O-N 3.17Å; Q70-R73 WeakPolarHBondContact O-CB 3.49Å; Q70-R73 PolarHBondContact O-N 3.05Å; Q70-T74 PolarHBondContact O-N 3.49Å
71Y93.1Very high94.3Very high27 Ų2749.5 Ų49.511%0.10625%0.246CC..Hα-helixtrans-71.4-39.3-179.1-59.5-37.7000113.4E37 L56 T58 M67 R68 R73 T74 G75E37-Y71 HydrophobicContact CB-CE2 4.39Å; E37-Y71 PolarHBondContact OE1-OH 2.91Å; E37-Y71 VanDerWaalsContact OE1-OH 3.09Å; E37-Y71 VanDerWaalsContact OE2-CE2 3.28Å; E37-Y71 WeakPolarHBondContact OE2-CE2 3.32Å; E37-Y71 PolarHBondContact OE2-OH 3.4Å; L56-Y71 VanDerWaalsContact CD2-CB 3.46Å; L56-Y71 HydrophobicContact CD2-CD1 3.28Å; L56-Y71 HydrophobicContact CD2-CD2 3.78Å; L56-Y71 HydrophobicContact CD2-CE1 4.04Å; L56-Y71 HydrophobicContact CD2-CE2 4.42Å; L56-Y71 HydrophobicContact CD2-CG 3.19Å; T58-Y71 HydrophobicContact CG2-CD2 4.24Å; M67-Y71 HydrophobicContact CE-CE2 3.89Å; M67-Y71 HydrophobicContact CG-CE2 3.65Å; M67-Y71 WeakPolarHBondContact O-CD2 3.25Å; M67-Y71 HydrophobicContact SD-CE2 4.35Å; R68-Y71 PolarHBondContact O-N 3.32Å; R68-Y71 VanDerWaalsContact O-N 3.12Å; Y71-R73 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-N 2.77Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-G75 PolarHBondContact O-N 2.95Å
72M96.7Very high94.7Very high1 Ų147.5 Ų47.51%0.00524%0.237CC..Hα-helixtrans-62-32.7172.3-69.4174.4-179.600111.7V9 R68 T74 F78 Y96 Q99 I100 V103 K104V9-M72 HydrophobicContact CG1-CE 3.94Å; R68-M72 HydrophobicContact CB-CE 4.27Å; R68-M72 WeakPolarHBondContact O-CB 3.34Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.39Å; R68-M72 PolarHBondContact O-N 3.4Å; M72-T74 PolarHBondContact O-N 2.93Å; M72-F78 HydrophobicContact CB-CE1 4.05Å; M72-F78 HydrophobicContact CB-CZ 4.25Å; M72-F78 HydrophobicContact CG-CD1 4.48Å; M72-F78 HydrophobicContact CG-CE1 3.79Å; M72-F78 HydrophobicContact CG-CZ 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.11Å; M72-Y96 HydrophobicContact CE-CD1 4.43Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.05Å; M72-Q99 HydrophobicContact SD-CB 4.09Å; M72-Q99 HydrophobicContact SD-CG 3.61Å; M72-I100 HydrophobicContact CE-CD1 4.48Å; M72-I100 HydrophobicContact CE-CG1 3.73Å; M72-I100 HydrophobicContact CG-CG1 3.99Å; M72-I100 HydrophobicContact SD-CB 4.42Å; M72-I100 HydrophobicContact SD-CG1 3.69Å; M72-V103 HydrophobicContact CB-CB 4.03Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.37Å; M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.35Å; M72-K104 PolarHBondContact O-NZ 3.44Å
73R96.2Very high95.2Very high155 Ų15542.2 Ų42.259%0.58521%0.212SC*.Hα-helixtrans-63.6-42.4176-161.7176.3-57.1-75.2-5111.7D69 Q70 Y71 V103 K104D69-R73 PolarHBondContact O-N 3.32Å; D69-R73 VanDerWaalsContact O-N 3.1Å; Q70-R73 WeakPolarHBondContact O-CB 3.49Å; Q70-R73 PolarHBondContact O-N 3.05Å; Y71-R73 PolarHBondContact O-N 3.48Å; R73-V103 HydrophobicContact CB-CG1 3.9Å; R73-K104 PolarHBondContact O-NZ 2.97Å
74T94.9Very high95.6Very high84 Ų8434.8 Ų34.852%0.51518%0.177SC..Hα-helixtrans-89.5-22.5-176.154.40000115.1Q70 Y71 M72Q70-T74 PolarHBondContact O-N 3.49Å; Y71-T74 PolarHBondContact O-N 2.77Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; M72-T74 PolarHBondContact O-N 2.93Å
75G97.7Very high95.9Very high1 Ų133.5 Ų33.51%0.0118%0.176CC..  trans-68.8139.3-178.600000113.6Y71 K104Y71-G75 PolarHBondContact O-N 2.95Å; G75-K104 WeakPolarHBondContact O-CE 3.32Å; G75-K104 PolarHBondContact O-NZ 3.32Å
76E98.1Very high96.3Very high56 Ų5634.8 Ų34.826%0.26218%0.18SC..SBendtrans-88.1-26.2178.5-68.7179.8116.800113.1Y4 K5 P110 I163 K167Y4-E76 VanDerWaalsContact CA-OE2 3.29Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.43Å; K5-E76 HydrophobicContact CB-CG 4.23Å; K5-E76 PolarHBondContact N-OE2 2.78Å; K5-E76 PolarHBondContact O-N 2.94Å; E76-P110 WeakPolarHBondContact O-CG 3.46Å; E76-I163 HydrophobicContact CB-CD1 4.02Å; E76-I163 HydrophobicContact CB-CG1 4.39Å; E76-I163 HydrophobicContact CB-CG2 4.18Å; E76-K167 VanDerWaalsContact OE1-CE 3.25Å; E76-K167 WeakPolarHBondContact OE1-CE 3.27Å; E76-K167 IonicContact OE1-NZ 3.3Å; E76-K167 PolarHBondContact OE1-NZ 3.41Å
77G98.7Very high96.7Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-154.8162.217500000112.1K5 V7 P110K5-G77 PolarHBondContact O-N 2.99Å; V7-G77 PolarHBondContact N-O 3.4Å; G77-P110 CarbonylContact C-O 3.53Å; G77-P110 VanDerWaalsContact CA-O 3.29Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å
78F98.8Very high97Very high0 Ų036.5 Ų36.50%018%0.176CC..EExtended strand (participates in β ladder)trans-127.5132.2-169.5-55.7-90.1000112.7V7 M72 I100 K104 V109 P110 M111 V112V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.75Å; V7-F78 HydrophobicContact CG1-CD1 4.24Å; V7-F78 HydrophobicContact CG1-CE1 4.23Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.33Å; M72-F78 HydrophobicContact CB-CE1 4.05Å; M72-F78 HydrophobicContact CB-CZ 4.25Å; M72-F78 HydrophobicContact CG-CD1 4.48Å; M72-F78 HydrophobicContact CG-CE1 3.79Å; M72-F78 HydrophobicContact CG-CZ 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.11Å; F78-I100 HydrophobicContact CB-CD1 3.69Å; F78-I100 HydrophobicContact CD1-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CG1 3.9Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.39Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CG1 4.19Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.56Å; F78-I100 HydrophobicContact CG-CG1 4.04Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 4.11Å; F78-K104 HydrophobicContact CE2-CG 4.45Å; F78-V109 HydrophobicContact CD2-CG1 3.69Å; F78-V109 HydrophobicContact CE2-CG1 3.58Å; F78-P110 PolarHBondContact N-O 3.36Å; F78-M111 HydrophobicContact CB-CB 3.93Å; F78-M111 HydrophobicContact CB-CG 4.01Å; F78-M111 HydrophobicContact CD2-CG 4.27Å; F78-M111 WeakPolarHBondContact O-CB 3.06Å; F78-V112 PolarHBondContact O-N 3.33Å
79L98.9Very high97.3Very high0 Ų036.4 Ų36.40%018%0.176CC..EExtended strand (participates in β ladder)trans-91.1117.5160.1-66.9-171.9000108.2V7 V8 V9 V81 V112 V114 A155 F156 L159V7-L79 PolarHBondContact O-N 3.47Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG2-CD1 4.45Å; V9-L79 WeakPolarHBondContact CG2-O 3.21Å; V9-L79 PolarHBondContact N-O 2.88Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.2Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; L79-V114 HydrophobicContact CB-CG2 4.35Å; L79-V114 HydrophobicContact CD2-CG2 3.95Å; L79-A155 HydrophobicContact CD1-CB 4.42Å; L79-A155 HydrophobicContact CD2-CB 4.47Å; L79-F156 HydrophobicContact CD1-CD1 3.67Å; L79-F156 HydrophobicContact CD1-CD2 4.09Å; L79-F156 HydrophobicContact CD1-CE1 3.5Å; L79-F156 VanDerWaalsContact CD1-CE1 3.5Å; L79-F156 HydrophobicContact CD1-CE2 3.94Å; L79-F156 HydrophobicContact CD1-CG 3.97Å; L79-F156 HydrophobicContact CD1-CZ 3.64Å; L79-L159 HydrophobicContact CD2-CB 3.94Å; L79-L159 HydrophobicContact CD2-CD2 3.79Å; L79-L159 HydrophobicContact CD2-CG 4.38Å; L79-L159 HydrophobicContact CG-CD2 3.83Å
80C98.8Very high97.5Very high1 Ų135.3 Ų35.31%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-96.199.1175.1-64.10000108.4I93 V112 L113 V114C80-I93 HydrophobicContact CB-CD1 4.14Å; C80-I93 HydrophobicContact CB-CG2 4.39Å; C80-V112 PolarHBondContact N-O 3.13Å; C80-L113 HydrophobicContact CB-CD1 4.37Å; C80-V114 PolarHBondContact O-N 2.92Å
81V98.9Very high97.7Very high0 Ų034.7 Ų34.70%017%0.166CC..EExtended strand (participates in β ladder)trans-100.1128.1-169.6-169.60000111V8 V9 G10 V14 K16 L19 L79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.6Å; V9-V81 PolarHBondContact O-N 3.33Å; G10-V81 WeakPolarHBondContact CA-O 3.41Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.03Å; V14-V81 HydrophobicContact CG2-CG1 3.83Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.38Å; L19-V81 HydrophobicContact CD1-CG1 3.84Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.35Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.97Å
82F98.8Very high98Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-122.7165.3164.171.4-82.7000109.6I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 Y141F82-I84 HydrophobicContact CE2-CG2 4.12Å; F82-S89 WeakPolarHBondContact CB-O 3.29Å; F82-F90 HydrophobicContact CB-CB 4.29Å; F82-F90 AromaticContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.83Å; F82-F90 HydrophobicContact CD2-CD2 3.83Å; F82-F90 HydrophobicContact CD2-CG 4.22Å; F82-F90 AromaticContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CB 4.24Å; F82-F90 AromaticContact CE2-CD2 3.72Å; F82-F90 HydrophobicContact CE2-CD2 3.72Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.04Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.5Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.1Å; F82-I93 HydrophobicContact CB-CD1 4.04Å; F82-I93 HydrophobicContact CB-CG1 4.08Å; F82-I93 HydrophobicContact CD1-CD1 4.41Å; F82-I93 HydrophobicContact CD1-CG1 4.23Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F82-L113 HydrophobicContact CD1-CD1 3.87Å; F82-L113 HydrophobicContact CD1-CG 4.36Å; F82-L113 HydrophobicContact CE1-CD1 3.94Å; F82-L113 HydrophobicContact CE1-CD2 4.22Å; F82-L113 HydrophobicContact CE1-CG 3.93Å; F82-V114 VanDerWaalsContact CD1-O 3.24Å; F82-V114 WeakPolarHBondContact CD1-O 3.38Å; F82-V114 PolarHBondContact N-O 3.21Å; F82-G115 VanDerWaalsContact CZ-CA 3.49Å; F82-N116 PolarHBondContact O-N 2.97Å; F82-V125 HydrophobicContact CE2-CB 4.04Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.31Å; F82-V125 HydrophobicContact CZ-CG1 4.29Å; F82-A130 HydrophobicContact CE1-CB 4.32Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.85Å; F82-Y141 HydrophobicContact CZ-CE2 3.85Å
83A98.4Very high98Very high1 Ų134.5 Ų34.51%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-100.2132.2171.100000110V14 N85 N86 S89 N116 K117V14-A83 HydrophobicContact CB-CB 4.3Å; V14-A83 HydrophobicContact CG1-CB 4.42Å; A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 2.98Å; A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 2.58Å; A83-S89 PolarHBondContact N-OG 3.04Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.34Å; A83-K117 HydrophobicContact CB-CD 3.94Å; A83-K117 HydrophobicContact CB-CG 4.22Å
84I98.4Very high98.1Very high1 Ų131.8 Ų31.81%0.00516%0.161CC..THydrogen-bonded Turntrans-63.2-16.5-176.762.9140.2000113.7F82 N116 K117 C118 R123 T124 V125F82-I84 HydrophobicContact CE2-CG2 4.12Å; I84-N116 WeakPolarHBondContact CG1-O 3.42Å; I84-N116 PolarHBondContact N-O 3.39Å; I84-K117 WeakPolarHBondContact CD1-O 3.4Å; I84-K117 WeakPolarHBondContact CG1-O 3.26Å; I84-C118 HydrophobicContact CD1-CB 4.41Å; I84-R123 HydrophobicContact CD1-CB 4.16Å; I84-R123 HydrophobicContact CD1-CG 4.24Å; I84-T124 PolarHBondContact O-N 3.34Å; I84-V125 PolarHBondContact O-N 2.86Å
85N97.8Very high98.2Very high53 Ų5332.8 Ų32.828%0.28316%0.16SC..THydrogen-bonded Turntrans-98.813176.271.8-29.9000113.3A83 L120 A122 T124A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 2.98Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.29Å; N85-A122 WeakPolarHBondContact CA-O 3.35Å; N85-A122 WeakPolarHBondContact CB-O 3.37Å; N85-T124 VanDerWaalsContact C-OG1 3.22Å
86N97.7Very high98.2Very high62 Ų6233.2 Ų33.233%0.33216%0.161SC..  trans-139.496179.5-177.9-17.9000110.7A83 K88 S89 F90 T124A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 2.58Å; N86-K88 VanDerWaalsContact C-N 3.3Å; N86-K88 PolarHBondContact O-N 2.95Å; N86-K88 WeakPolarHBondContact OD1-CB 3.46Å; N86-K88 PolarHBondContact OD1-N 2.94Å; N86-K88 VanDerWaalsContact OD1-N 3.13Å; N86-S89 WeakPolarHBondContact CB-OG 3.35Å; N86-S89 PolarHBondContact O-N 2.93Å; N86-S89 PolarHBondContact O-OG 3.21Å; N86-S89 PolarHBondContact OD1-N 2.99Å; N86-F90 PolarHBondContact O-N 2.64Å; N86-T124 PolarHBondContact N-OG1 3.45Å
87T98Very high98.2Very high51 Ų5132.2 Ų32.231%0.31316%0.155SC..Hα-helixtrans-59.5-37.6180-540000112.8S89 F90 E91 T124T87-S89 VanDerWaalsContact C-N 3.33Å; T87-S89 PolarHBondContact O-N 2.93Å; T87-F90 WeakPolarHBondContact O-CB 3.29Å; T87-F90 PolarHBondContact O-N 2.83Å; T87-F90 VanDerWaalsContact O-N 3.11Å; T87-E91 WeakPolarHBondContact O-CG 3.47Å; T87-E91 PolarHBondContact O-N 2.85Å; T87-T124 PolarHBondContact N-OG1 2.88Å; T87-T124 VanDerWaalsContact OG1-CB 3.3Å; T87-T124 WeakPolarHBondContact OG1-CB 3.35Å; T87-T124 PolarHBondContact OG1-O 2.75Å; T87-T124 PolarHBondContact OG1-OG1 2.89Å
88K98Very high98.1Very high108 Ų10835.5 Ų35.547%0.4717%0.17SC..Hα-helixtrans-61.5-43177.7178.954.4177.9154.20111.5N86 F90 E91 D92N86-K88 VanDerWaalsContact C-N 3.3Å; N86-K88 PolarHBondContact O-N 2.95Å; N86-K88 WeakPolarHBondContact OD1-CB 3.46Å; N86-K88 PolarHBondContact OD1-N 2.94Å; N86-K88 VanDerWaalsContact OD1-N 3.13Å; K88-F90 PolarHBondContact O-N 3.44Å; K88-E91 WeakPolarHBondContact O-CB 2.8Å; K88-E91 PolarHBondContact O-N 2.92Å; K88-E91 VanDerWaalsContact O-N 3.16Å; K88-D92 WeakPolarHBondContact CE-OD1 3.27Å; K88-D92 IonicContact NZ-OD1 2.95Å; K88-D92 PolarHBondContact NZ-OD1 2.99Å; K88-D92 PolarHBondContact O-N 2.94Å
89S98Very high98Very high1 Ų136.4 Ų36.41%0.00718%0.175CC..Hα-helixtrans-63.1-27.9177.274.90000113.5F82 A83 N86 T87F82-S89 WeakPolarHBondContact CB-O 3.29Å; A83-S89 PolarHBondContact N-OG 3.04Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 WeakPolarHBondContact CB-OG 3.35Å; N86-S89 PolarHBondContact O-N 2.93Å; N86-S89 PolarHBondContact O-OG 3.21Å; N86-S89 PolarHBondContact OD1-N 2.99Å; T87-S89 VanDerWaalsContact C-N 3.33Å; T87-S89 PolarHBondContact O-N 2.93Å
90F98.6Very high98Very high14 Ų1436.4 Ų36.46%0.06118%0.175CC..Hα-helixtrans-75-41174.5175.1-108.1000112F82 N86 T87 K88 D92 I93 L113 V125 Q129 A130 L133F82-F90 HydrophobicContact CB-CB 4.29Å; F82-F90 AromaticContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD1-CD2 3.88Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.83Å; F82-F90 HydrophobicContact CD2-CD2 3.83Å; F82-F90 HydrophobicContact CD2-CG 4.22Å; F82-F90 AromaticContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 3.75Å; F82-F90 HydrophobicContact CE1-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CB 4.24Å; F82-F90 AromaticContact CE2-CD2 3.72Å; F82-F90 HydrophobicContact CE2-CD2 3.72Å; F82-F90 HydrophobicContact CE2-CG 4.31Å; F82-F90 HydrophobicContact CG-CB 4.04Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.5Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.1Å; N86-F90 PolarHBondContact O-N 2.64Å; T87-F90 WeakPolarHBondContact O-CB 3.29Å; T87-F90 PolarHBondContact O-N 2.83Å; T87-F90 VanDerWaalsContact O-N 3.11Å; K88-F90 PolarHBondContact O-N 3.44Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 2.94Å; F90-I93 VanDerWaalsContact O-CB 3.29Å; F90-I93 WeakPolarHBondContact O-CB 3.46Å; F90-I93 WeakPolarHBondContact O-CG1 3.47Å; F90-I93 PolarHBondContact O-N 2.69Å; F90-L113 HydrophobicContact CE2-CD2 4.45Å; F90-V125 HydrophobicContact CB-CG1 4.34Å; F90-V125 HydrophobicContact CB-CG2 3.73Å; F90-V125 HydrophobicContact CD1-CG1 3.93Å; F90-V125 HydrophobicContact CD1-CG2 4.31Å; F90-V125 HydrophobicContact CD2-CG1 3.89Å; F90-V125 HydrophobicContact CE1-CG1 4.15Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.05Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; F90-Q129 HydrophobicContact CE1-CG 3.83Å; F90-Q129 HydrophobicContact CZ-CG 4.05Å; F90-A130 HydrophobicContact CE2-CB 3.84Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; F90-L133 HydrophobicContact CD2-CD2 4.28Å; F90-L133 HydrophobicContact CE1-CD2 4.28Å; F90-L133 HydrophobicContact CE2-CB 4.3Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.9Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.28Å
91E98Very high98Very high112 Ų11237.6 Ų37.652%0.52318%0.18SC..Hα-helixtrans-61.6-39.5173.9-67.1168.9178.500111.8T87 K88 I93 H94T87-E91 WeakPolarHBondContact O-CG 3.47Å; T87-E91 PolarHBondContact O-N 2.85Å; K88-E91 WeakPolarHBondContact O-CB 2.8Å; K88-E91 PolarHBondContact O-N 2.92Å; K88-E91 VanDerWaalsContact O-N 3.16Å; E91-I93 PolarHBondContact O-N 3.46Å; E91-H94 PolarHBondContact O-N 3.39Å
92D97.8Very high97.9Very high23 Ų2345.5 Ų45.512%0.12321%0.21CC..THydrogen-bonded Turntrans-66-18.7-178.6-66.6-20.3000113K88 F90 H94 Q95 Y96K88-D92 WeakPolarHBondContact CE-OD1 3.27Å; K88-D92 IonicContact NZ-OD1 2.95Å; K88-D92 PolarHBondContact NZ-OD1 2.99Å; K88-D92 PolarHBondContact O-N 2.94Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 2.94Å; D92-H94 PolarHBondContact O-N 2.99Å; D92-H94 VanDerWaalsContact O-N 3.14Å; D92-Q95 WeakPolarHBondContact O-CB 3.21Å; D92-Q95 PolarHBondContact O-N 3.49Å; D92-Y96 HydrophobicContact CB-CD2 4.49Å; D92-Y96 HydrophobicContact CB-CE2 4.22Å; D92-Y96 VanDerWaalsContact O-CD2 3.26Å; D92-Y96 WeakPolarHBondContact O-CD2 3.38Å; D92-Y96 PolarHBondContact O-N 2.75Å
93I98.4Very high97.9Very high1 Ų146.1 Ų46.11%0.00521%0.213CC..Hα-helixtrans-53.1-36.4175.1-65.7-59.8000111.7C80 F82 F90 E91 Q95 Y96 R97 L113 L133 Y137C80-I93 HydrophobicContact CB-CD1 4.14Å; C80-I93 HydrophobicContact CB-CG2 4.39Å; F82-I93 HydrophobicContact CB-CD1 4.04Å; F82-I93 HydrophobicContact CB-CG1 4.08Å; F82-I93 HydrophobicContact CD1-CD1 4.41Å; F82-I93 HydrophobicContact CD1-CG1 4.23Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F90-I93 VanDerWaalsContact O-CB 3.29Å; F90-I93 WeakPolarHBondContact O-CB 3.46Å; F90-I93 WeakPolarHBondContact O-CG1 3.47Å; F90-I93 PolarHBondContact O-N 2.69Å; E91-I93 PolarHBondContact O-N 3.46Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3.35Å; I93-Y96 PolarHBondContact O-N 3.29Å; I93-R97 WeakPolarHBondContact O-CB 3.25Å; I93-R97 PolarHBondContact O-N 3.11Å; I93-L113 HydrophobicContact CB-CD1 4.45Å; I93-L113 HydrophobicContact CD1-CD1 4.16Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 3.68Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; I93-Y137 HydrophobicContact CG2-CE2 4.25Å
94H97.8Very high97.8Very high99 Ų9949 Ų4946%0.45823%0.225SC..Hα-helixtrans-59-42.5177.4-17854.9000111.6E91 D92 R97 E98 Y137E91-H94 PolarHBondContact O-N 3.39Å; D92-H94 PolarHBondContact O-N 2.99Å; D92-H94 VanDerWaalsContact O-N 3.14Å; H94-R97 PolarHBondContact O-N 2.96Å; H94-E98 IonicContact CE1-OE1 3.87Å; H94-E98 WeakPolarHBondContact O-CG 3.46Å; H94-E98 PolarHBondContact O-N 3.22Å; H94-Y137 PolarHBondContact ND1-OH 3.29Å
95Q96.7Very high97.7Very high105 Ų10556.2 Ų56.249%0.49126%0.264SS..Hα-helixtrans-66.6-45.2179.8-59.4179.8-4.500111.5D92 I93 R97 E98 Q99D92-Q95 WeakPolarHBondContact O-CB 3.21Å; D92-Q95 PolarHBondContact O-N 3.49Å; I93-Q95 VanDerWaalsContact C-N 3.28Å; I93-Q95 PolarHBondContact O-N 3.35Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; Q95-R97 PolarHBondContact O-N 3.27Å; Q95-E98 PolarHBondContact O-N 3.19Å; Q95-Q99 WeakPolarHBondContact O-CB 3.22Å; Q95-Q99 PolarHBondContact O-N 2.95Å
96Y97.6Very high97.6Very high10 Ų1055.6 Ų55.64%0.03926%0.264CS..Hα-helixtrans-60.3-42.3175.8-73.8-77.4000111.8V9 G10 A11 G60 M72 D92 I93 Q99 I100V9-Y96 HydrophobicContact CB-CD1 3.88Å; V9-Y96 HydrophobicContact CB-CE1 4.37Å; V9-Y96 HydrophobicContact CG2-CD1 4.17Å; V9-Y96 HydrophobicContact CG2-CG 4.4Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.45Å; A11-Y96 PolarHBondContact N-OH 3.09Å; G60-Y96 PolarHBondContact O-OH 3.35Å; M72-Y96 HydrophobicContact CE-CD1 4.43Å; D92-Y96 HydrophobicContact CB-CD2 4.49Å; D92-Y96 HydrophobicContact CB-CE2 4.22Å; D92-Y96 VanDerWaalsContact O-CD2 3.26Å; D92-Y96 WeakPolarHBondContact O-CD2 3.38Å; D92-Y96 PolarHBondContact O-N 2.75Å; I93-Y96 PolarHBondContact O-N 3.29Å; Y96-Q99 PolarHBondContact O-N 3.49Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.27Å; Y96-I100 WeakPolarHBondContact O-CG1 3.33Å; Y96-I100 PolarHBondContact O-N 2.98Å
97R98Very high97.5Very high34 Ų3458.5 Ų58.513%0.12828%0.28CS..Hα-helixtrans-62-49177.2179.6178.8179.1-85.66111.9I93 H94 Q95 Q99 I100 K101 M111 Y137I93-R97 WeakPolarHBondContact O-CB 3.25Å; I93-R97 PolarHBondContact O-N 3.11Å; H94-R97 PolarHBondContact O-N 2.96Å; Q95-R97 VanDerWaalsContact C-N 3.32Å; Q95-R97 PolarHBondContact O-N 3.27Å; R97-Q99 VanDerWaalsContact C-N 3.3Å; R97-Q99 PolarHBondContact O-N 3.46Å; R97-I100 PolarHBondContact O-N 3.01Å; R97-K101 HydrophobicContact CG-CD 4.03Å; R97-K101 WeakPolarHBondContact O-CG 3.27Å; R97-K101 PolarHBondContact O-N 3.19Å; R97-M111 HydrophobicContact CG-CE 4.1Å; R97-M111 HydrophobicContact CG-SD 4.06Å; R97-Y137 VanDerWaalsContact CD-CD2 3.47Å
98E97.5Very high97.3Very high69 Ų6958.9 Ų58.932%0.32228%0.28SS..Hα-helixtrans-66-35179.3-66.4-47.6124.300111.9H94 Q95 K101 R102H94-E98 IonicContact CE1-OE1 3.87Å; H94-E98 WeakPolarHBondContact O-CG 3.46Å; H94-E98 PolarHBondContact O-N 3.22Å; Q95-E98 PolarHBondContact O-N 3.19Å; E98-K101 PolarHBondContact O-N 3.32Å; E98-K101 IonicContact OE1-NZ 2.66Å; E98-K101 IonicContact OE2-NZ 3.88Å; E98-K101 PolarHBondContact OE2-NZ 3.38Å; E98-R102 VanDerWaalsContact O-CB 3.25Å; E98-R102 WeakPolarHBondContact O-CB 3.41Å; E98-R102 PolarHBondContact O-N 2.72Å
99Q97Very high97.3Very high20 Ų2054.2 Ų54.29%0.09326%0.26CS..Hα-helixtrans-59.7-49.1172.1-167.8-178.512.200111.2S65 D69 M72 Q95 Y96 R97 K101 R102 V103S65-Q99 PolarHBondContact O-NE2 3.41Å; D69-Q99 WeakPolarHBondContact OD1-CG 3.5Å; D69-Q99 PolarHBondContact OD1-NE2 3.08Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.05Å; M72-Q99 HydrophobicContact SD-CB 4.09Å; M72-Q99 HydrophobicContact SD-CG 3.61Å; Q95-Q99 WeakPolarHBondContact O-CB 3.22Å; Q95-Q99 PolarHBondContact O-N 2.95Å; Y96-Q99 PolarHBondContact O-N 3.49Å; R97-Q99 VanDerWaalsContact C-N 3.3Å; R97-Q99 PolarHBondContact O-N 3.46Å; Q99-K101 PolarHBondContact O-N 3.15Å; Q99-R102 PolarHBondContact O-N 2.78Å; Q99-V103 WeakPolarHBondContact O-CB 3.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.1Å; Q99-V103 PolarHBondContact O-N 3.18Å
100I98.3Very high97.4Very high0 Ų054.3 Ų54.30%026%0.261CS..Hα-helixtrans-57.2-52.5177.4-71.2161.5000110.6V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111V9-I100 HydrophobicContact CG2-CD1 4.04Å; M72-I100 HydrophobicContact CE-CD1 4.48Å; M72-I100 HydrophobicContact CE-CG1 3.73Å; M72-I100 HydrophobicContact CG-CG1 3.99Å; M72-I100 HydrophobicContact SD-CB 4.42Å; M72-I100 HydrophobicContact SD-CG1 3.69Å; F78-I100 HydrophobicContact CB-CD1 3.69Å; F78-I100 HydrophobicContact CD1-CD1 3.74Å; F78-I100 HydrophobicContact CD1-CG1 3.9Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.39Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CG1 4.19Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.56Å; F78-I100 HydrophobicContact CG-CG1 4.04Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 4.11Å; Y96-I100 WeakPolarHBondContact O-CD1 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.27Å; Y96-I100 WeakPolarHBondContact O-CG1 3.33Å; Y96-I100 PolarHBondContact O-N 2.98Å; R97-I100 PolarHBondContact O-N 3.01Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.14Å; I100-V103 PolarHBondContact O-N 2.95Å; I100-K104 HydrophobicContact CG2-CG 4.22Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CG 3.08Å; I100-K104 PolarHBondContact O-N 3.4Å; I100-V109 HydrophobicContact CG2-CB 4.24Å; I100-V109 HydrophobicContact CG2-CG1 3.7Å; I100-V109 HydrophobicContact CG2-CG2 4.43Å; I100-M111 HydrophobicContact CD1-SD 4.44Å
101K98Very high97.4Very high25 Ų2553.8 Ų53.811%0.10926%0.259CS..Hα-helixtrans-59.8-43.3-177.7-70173.970.6-133.70111.9R97 E98 Q99 K104 D105 S106 D107R97-K101 HydrophobicContact CG-CD 4.03Å; R97-K101 WeakPolarHBondContact O-CG 3.27Å; R97-K101 PolarHBondContact O-N 3.19Å; E98-K101 PolarHBondContact O-N 3.32Å; E98-K101 IonicContact OE1-NZ 2.66Å; E98-K101 IonicContact OE2-NZ 3.88Å; E98-K101 PolarHBondContact OE2-NZ 3.38Å; Q99-K101 PolarHBondContact O-N 3.15Å; K101-K104 PolarHBondContact O-N 3.4Å; K101-D105 WeakPolarHBondContact O-CA 3.38Å; K101-D105 PolarHBondContact O-N 3.44Å; K101-S106 WeakPolarHBondContact CA-O 3.49Å; K101-S106 WeakPolarHBondContact CB-O 3.47Å; K101-S106 PolarHBondContact O-N 3.31Å; K101-D107 WeakPolarHBondContact CE-OD1 3.41Å; K101-D107 IonicContact NZ-OD1 2.67Å; K101-D107 PolarHBondContact NZ-OD1 2.85Å
102R97.5Very high97.4Very high167 Ų16748.5 Ų48.563%0.6323%0.234SC*.Hα-helixtrans-61.7-46.3176-177.6-174.969.6-165.42.8112D69 E98 Q99 I100 K104 D105D69-R102 IonicContact OD1-NH2 3.5Å; D69-R102 IonicContact OD2-NH2 3.36Å; E98-R102 VanDerWaalsContact O-CB 3.25Å; E98-R102 WeakPolarHBondContact O-CB 3.41Å; E98-R102 PolarHBondContact O-N 2.72Å; Q99-R102 PolarHBondContact O-N 2.78Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.14Å; R102-K104 VanDerWaalsContact C-N 3.34Å; R102-D105 PolarHBondContact O-N 2.91Å
103V97.6Very high97.5Very high13 Ų1347.4 Ų47.48%0.07923%0.228CC..Hα-helixtrans-69-35.5-179.4171.60000111.7D69 M72 R73 Q99 I100 D105D69-V103 HydrophobicContact CB-CG2 3.96Å; D69-V103 VanDerWaalsContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact O-CG1 3.28Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.33Å; M72-V103 HydrophobicContact CB-CB 4.03Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.37Å; R73-V103 HydrophobicContact CB-CG1 3.9Å; Q99-V103 WeakPolarHBondContact O-CB 3.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.1Å; Q99-V103 PolarHBondContact O-N 3.18Å; I100-V103 PolarHBondContact O-N 2.95Å; V103-D105 VanDerWaalsContact C-N 3.33Å
104K97.2Very high97.5Very high60 Ų6047.3 Ų47.326%0.26123%0.228SC..Hα-helixtrans-79.3-14.3176.9-73.2-53.6-161-172.70114.5M72 R73 G75 F78 I100 K101 R102 S106 V109M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.35Å; M72-K104 PolarHBondContact O-NZ 3.44Å; R73-K104 PolarHBondContact O-NZ 2.97Å; G75-K104 WeakPolarHBondContact O-CE 3.32Å; G75-K104 PolarHBondContact O-NZ 3.32Å; F78-K104 HydrophobicContact CE2-CG 4.45Å; I100-K104 HydrophobicContact CG2-CG 4.22Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CG 3.08Å; I100-K104 PolarHBondContact O-N 3.4Å; K101-K104 PolarHBondContact O-N 3.4Å; R102-K104 VanDerWaalsContact C-N 3.34Å; K104-S106 PolarHBondContact O-N 2.93Å; K104-V109 HydrophobicContact CB-CG2 3.73Å; K104-V109 HydrophobicContact CG-CG1 4.03Å; K104-V109 HydrophobicContact CG-CG2 3.93Å
105D96.8Very high97.5Very high153 Ų15342.6 Ų42.682%0.81821%0.206SC*.THydrogen-bonded Turntrans50.345.7-172.4-164.131000111.5K101 R102 V103K101-D105 WeakPolarHBondContact O-CA 3.38Å; K101-D105 PolarHBondContact O-N 3.44Å; R102-D105 PolarHBondContact O-N 2.91Å; V103-D105 VanDerWaalsContact C-N 3.33Å
106S95.9Very high97.6Very high40 Ų4037.8 Ų37.828%0.2818%0.183SC..  trans-157.7140.6-175.8-166.80000112.3K101 K104 D108 V109K101-S106 WeakPolarHBondContact CA-O 3.49Å; K101-S106 WeakPolarHBondContact CB-O 3.47Å; K101-S106 PolarHBondContact O-N 3.31Å; K104-S106 PolarHBondContact O-N 2.93Å; S106-D108 PolarHBondContact OG-N 3.33Å; S106-D108 PolarHBondContact OG-O 3.42Å; S106-V109 WeakPolarHBondContact O-CG2 3.19Å
107D94.2Very high97.6Very high124 Ų12440 Ų4066%0.66319%0.193SC*.SBendtrans-82-22.1170.5-70.1-48000113.2K101K101-D107 WeakPolarHBondContact CE-OD1 3.41Å; K101-D107 IonicContact NZ-OD1 2.67Å; K101-D107 PolarHBondContact NZ-OD1 2.85Å
108D94.9Very high97.6Very high58 Ų5839.5 Ų39.531%0.3120%0.195SC..  trans-101.688179.1-179.538.5000110S106 H166 R169S106-D108 PolarHBondContact OG-N 3.33Å; S106-D108 PolarHBondContact OG-O 3.42Å; D108-H166 PolarHBondContact O-CE1 3.03Å; D108-H166 IonicContact OD1-ND1 2.69Å; D108-H166 IonicContact OD2-CE1 3.51Å; D108-H166 PolarHBondContact OD2-CE1 3.03Å; D108-H166 IonicContact OD2-ND1 3.72Å; D108-H166 PolarHBondContact OD2-ND1 2.67Å; D108-R169 IonicContact OD1-CZ 2.78Å; D108-R169 IonicContact OD1-NH1 3.42Å; D108-R169 PolarHBondContact OD1-NH1 3.04Å; D108-R169 IonicContact OD1-NH2 2.72Å; D108-R169 PolarHBondContact OD1-NH2 3.01Å; D108-R169 VanDerWaalsContact OD1-NH2 3.09Å; D108-R169 IonicContact OD2-CZ 3.88Å; D108-R169 IonicContact OD2-NH1 3.83Å; D108-R169 PolarHBondContact OD2-NH1 2.86Å; D108-R169 IonicContact OD2-NH2 3.8Å
109V98.1Very high97.6Very high10 Ų1038.7 Ų38.76%0.06119%0.193CC..  trans-122.8131.3178.1-174.30000109.1F78 I100 K104 S106 M111F78-V109 HydrophobicContact CD2-CG1 3.69Å; F78-V109 HydrophobicContact CE2-CG1 3.58Å; I100-V109 HydrophobicContact CG2-CB 4.24Å; I100-V109 HydrophobicContact CG2-CG1 3.7Å; I100-V109 HydrophobicContact CG2-CG2 4.43Å; K104-V109 HydrophobicContact CB-CG2 3.73Å; K104-V109 HydrophobicContact CG-CG1 4.03Å; K104-V109 HydrophobicContact CG-CG2 3.93Å; S106-V109 WeakPolarHBondContact O-CG2 3.19Å; V109-M111 HydrophobicContact CB-CE 4.32Å; V109-M111 HydrophobicContact CG1-CG 4.46Å; V109-M111 WeakPolarHBondContact O-CE 3.48Å; V109-M111 PolarHBondContact O-N 3.47Å
110P98.6Very high97.5Very high4 Ų440.6 Ų40.63%0.02620%0.203CC..  trans-56.8101.4178-27.636.6000112.9E76 G77 F78 L159 E162 I163 H166E76-P110 WeakPolarHBondContact O-CG 3.46Å; G77-P110 CarbonylContact C-O 3.53Å; G77-P110 VanDerWaalsContact CA-O 3.29Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 3.36Å; P110-L159 HydrophobicContact CB-CD1 4.39Å; P110-E162 HydrophobicContact CB-CB 4.05Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; P110-H166 HydrophobicContact CG-CB 3.58Å
111M98.8Very high97.1Very high3 Ų346.7 Ų46.72%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-99.3140.8179.649.2101.9-121.400113.5F78 R97 I100 V109 I139 P140F78-M111 HydrophobicContact CB-CB 3.93Å; F78-M111 HydrophobicContact CB-CG 4.01Å; F78-M111 HydrophobicContact CD2-CG 4.27Å; F78-M111 WeakPolarHBondContact O-CB 3.06Å; R97-M111 HydrophobicContact CG-CE 4.1Å; R97-M111 HydrophobicContact CG-SD 4.06Å; I100-M111 HydrophobicContact CD1-SD 4.44Å; V109-M111 HydrophobicContact CB-CE 4.32Å; V109-M111 HydrophobicContact CG1-CG 4.46Å; V109-M111 WeakPolarHBondContact O-CE 3.48Å; V109-M111 PolarHBondContact O-N 3.47Å; M111-I139 HydrophobicContact CE-CG2 4.43Å; M111-P140 WeakPolarHBondContact O-CD 3.26Å
112V98.9Very high96.8Very high0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-133.3128.7150.1176.90000109.1F78 L79 C80 V114 P140 I142 T158 L159 E162F78-V112 PolarHBondContact O-N 3.33Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.2Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; C80-V112 PolarHBondContact N-O 3.13Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V112-P140 HydrophobicContact CG1-CB 4.42Å; V112-P140 HydrophobicContact CG2-CB 4.43Å; V112-P140 HydrophobicContact CG2-CG 4.39Å; V112-I142 HydrophobicContact CG1-CD1 4.3Å; V112-I142 HydrophobicContact CG1-CG1 4.47Å; V112-T158 HydrophobicContact CG2-CG2 4Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.07Å; V112-E162 HydrophobicContact CG2-CG 4.31Å
113L98.9Very high96.7Very high0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-82.3127.2172.2-175.762.8000109.6C80 F82 F90 I93 L133 A134 I139 P140 Y141 I142C80-L113 HydrophobicContact CB-CD1 4.37Å; F82-L113 HydrophobicContact CD1-CD1 3.87Å; F82-L113 HydrophobicContact CD1-CG 4.36Å; F82-L113 HydrophobicContact CE1-CD1 3.94Å; F82-L113 HydrophobicContact CE1-CD2 4.22Å; F82-L113 HydrophobicContact CE1-CG 3.93Å; F90-L113 HydrophobicContact CE2-CD2 4.45Å; I93-L113 HydrophobicContact CB-CD1 4.45Å; I93-L113 HydrophobicContact CD1-CD1 4.16Å; I93-L113 HydrophobicContact CG1-CD1 4.01Å; I93-L113 HydrophobicContact CG2-CD1 3.68Å; L113-L133 HydrophobicContact CD2-CD2 4.28Å; L113-A134 HydrophobicContact CB-CB 4.22Å; L113-A134 HydrophobicContact CD2-CB 3.9Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.41Å; L113-P140 PolarHBondContact N-O 2.78Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.89Å; L113-Y141 HydrophobicContact CD2-CE2 4.43Å; L113-Y141 HydrophobicContact CG-CD2 3.82Å; L113-Y141 HydrophobicContact CG-CE2 4.36Å; L113-Y141 WeakPolarHBondContact O-CA 3.45Å; L113-Y141 WeakPolarHBondContact O-CD2 3.25Å; L113-I142 PolarHBondContact O-N 2.88Å
114V98.9Very high96.7Very high0 Ų047.3 Ų47.30%027%0.265CS..EExtended strand (participates in β ladder)trans-122116-176.7-179.10000110.7L19 L79 C80 V81 F82 V112 I142 T144 A155L19-V114 HydrophobicContact CD1-CG1 4.04Å; L79-V114 HydrophobicContact CB-CG2 4.35Å; L79-V114 HydrophobicContact CD2-CG2 3.95Å; C80-V114 PolarHBondContact O-N 2.92Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CG1-CB 4.48Å; V81-V114 HydrophobicContact CG1-CG1 4.35Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; F82-V114 VanDerWaalsContact CD1-O 3.24Å; F82-V114 WeakPolarHBondContact CD1-O 3.38Å; F82-V114 PolarHBondContact N-O 3.21Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V114-I142 WeakPolarHBondContact CA-O 3.33Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.44Å; V114-A155 HydrophobicContact CG2-CB 4.02Å
115G98.8Very high96.8Very high0 Ų044.5 Ų44.50%025%0.253CS..EExtended strand (participates in β ladder)trans-92.997.1170.700000110.4F82 I142 E143 T144F82-G115 VanDerWaalsContact CZ-CA 3.49Å; G115-I142 PolarHBondContact N-O 3.03Å; G115-E143 CarbonylContact O-C 3.56Å; G115-E143 VanDerWaalsContact O-CA 3.3Å; G115-E143 WeakPolarHBondContact O-CA 3.42Å; G115-T144 PolarHBondContact O-N 2.95Å
116N98.7Very high96.8Very high3 Ų342.5 Ų42.52%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-85.6167-178.3-169.529.1000112.7V14 L19 V81 F82 A83 I84 T144 A146V14-N116 PolarHBondContact O-ND2 2.91Å; L19-N116 HydrophobicContact CD1-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.97Å; F82-N116 PolarHBondContact O-N 2.97Å; A83-N116 WeakPolarHBondContact CA-O 3.34Å; I84-N116 WeakPolarHBondContact CG1-O 3.42Å; I84-N116 PolarHBondContact N-O 3.39Å; N116-T144 CarbonylContact C-O 3.6Å; N116-T144 VanDerWaalsContact CA-O 3.3Å; N116-T144 WeakPolarHBondContact CA-O 3.21Å; N116-T144 WeakPolarHBondContact CA-OG1 3.27Å; N116-T144 PolarHBondContact OD1-O 3.33Å; N116-T144 PolarHBondContact OD1-OG1 3.33Å; N116-A146 PolarHBondContact OD1-N 2.74Å
117K97.6Very high96.8Very high57 Ų5742.2 Ų42.225%0.24824%0.235CC..  trans67.533.3-179.7-45.8-170.7-171.7-179.10113.1G13 A83 I84 D119 L120 T144G13-K117 WeakPolarHBondContact O-CE 2.81Å; G13-K117 PolarHBondContact O-NZ 2.99Å; A83-K117 HydrophobicContact CB-CD 3.94Å; A83-K117 HydrophobicContact CB-CG 4.22Å; I84-K117 WeakPolarHBondContact CD1-O 3.4Å; I84-K117 WeakPolarHBondContact CG1-O 3.26Å; K117-D119 WeakPolarHBondContact CA-OD1 3.24Å; K117-D119 PolarHBondContact O-N 3.36Å; K117-D119 VanDerWaalsContact O-N 3.15Å; K117-L120 HydrophobicContact CB-CD1 3.86Å; K117-L120 HydrophobicContact CB-CG 4.1Å; K117-L120 HydrophobicContact CD-CD1 3.92Å; K117-L120 HydrophobicContact CG-CD1 4.47Å; K117-L120 WeakPolarHBondContact O-CB 3.48Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-T144 PolarHBondContact N-O 3.31Å
118C97.9Very high97Very high23 Ų2345 Ų4516%0.15524%0.236CC..THydrogen-bonded Turntrans-65.5-12.4178.471.40000113.9I84 L120 E143 T144I84-C118 HydrophobicContact CD1-CB 4.41Å; C118-L120 VanDerWaalsContact C-N 3.29Å; C118-E143 HydrophobicContact CB-CB 4.16Å; C118-T144 PolarHBondContact N-O 2.68Å; C118-T144 PolarHBondContact SG-O 3.25Å
119D96.8Very high97.1Very high53 Ų5346.6 Ų46.628%0.28324%0.242SC..THydrogen-bonded Turntrans-72.8-18.8170.661.2-73.1000113.7K117 S145 K147 T148K117-D119 WeakPolarHBondContact CA-OD1 3.24Å; K117-D119 PolarHBondContact O-N 3.36Å; K117-D119 VanDerWaalsContact O-N 3.15Å; D119-S145 WeakPolarHBondContact CB-OG 3.5Å; D119-S145 VanDerWaalsContact OD1-CB 3.27Å; D119-S145 WeakPolarHBondContact OD1-CB 3.42Å; D119-S145 PolarHBondContact OD1-OG 2.89Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; D119-T148 HydrophobicContact CB-CG2 3.98Å
120L94.8Very high97.1Very high60 Ų6046.1 Ų46.131%0.31424%0.239SC..  trans-81.9133.5179.5-61.3-176.9000110.8N85 K117 C118 A122N85-L120 WeakPolarHBondContact ND2-CD1 3.29Å; K117-L120 HydrophobicContact CB-CD1 3.86Å; K117-L120 HydrophobicContact CB-CG 4.1Å; K117-L120 HydrophobicContact CD-CD1 3.92Å; K117-L120 HydrophobicContact CG-CD1 4.47Å; K117-L120 WeakPolarHBondContact O-CB 3.48Å; K117-L120 PolarHBondContact O-N 3.18Å; C118-L120 VanDerWaalsContact C-N 3.29Å; L120-A122 VanDerWaalsContact C-N 3.31Å; L120-A122 PolarHBondContact O-N 3.09Å
121P90.5Very high97.1Very high128 Ų12850 Ų5083%0.83126%0.257SS*.SBendtrans-72.5-24.4-178.628.7-35.2000113.2R123P121-R123 PolarHBondContact O-N 2.94Å
122A91.3Very high97.1Very high66 Ų6653.2 Ų53.255%0.54527%0.274SS..  trans-80.861.7-17500000112.4N85 L120N85-A122 WeakPolarHBondContact CA-O 3.35Å; N85-A122 WeakPolarHBondContact CB-O 3.37Å; L120-A122 VanDerWaalsContact C-N 3.31Å; L120-A122 PolarHBondContact O-N 3.09Å
123R96.7Very high97.1Very high83 Ų8354.9 Ų54.931%0.31328%0.283SS..  trans-69135.1176.7179.9174.2-67.4-166.2-13.9111.3I84 P121 V125 T127 E143I84-R123 HydrophobicContact CD1-CB 4.16Å; I84-R123 HydrophobicContact CD1-CG 4.24Å; P121-R123 PolarHBondContact O-N 2.94Å; R123-V125 VanDerWaalsContact CD-O 3.27Å; R123-V125 WeakPolarHBondContact CD-O 3.4Å; R123-V125 WeakPolarHBondContact CG-O 3.46Å; R123-T127 PolarHBondContact NH1-OG1 2.9Å; R123-E143 IonicContact NH2-OE1 2.59Å; R123-E143 IonicContact NH2-OE2 3.75Å; R123-E143 PolarHBondContact NH2-OE2 3.48Å
124T97.5Very high97.1Very high69 Ų6955 Ų5542%0.42328%0.284SS..  trans-120.6-12.9172.269.50000113.1I84 N85 N86 T87I84-T124 PolarHBondContact O-N 3.34Å; N85-T124 VanDerWaalsContact C-OG1 3.22Å; N86-T124 PolarHBondContact N-OG1 3.45Å; T87-T124 PolarHBondContact N-OG1 2.88Å; T87-T124 VanDerWaalsContact OG1-CB 3.3Å; T87-T124 WeakPolarHBondContact OG1-CB 3.35Å; T87-T124 PolarHBondContact OG1-O 2.75Å; T87-T124 PolarHBondContact OG1-OG1 2.89Å
125V97.7Very high97.1Very high0 Ų062.8 Ų62.80%031%0.313CS..SBendtrans-116.3117.8174.4-178.30000108.5F82 I84 F90 R123 A130F82-V125 HydrophobicContact CE2-CB 4.04Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.31Å; F82-V125 HydrophobicContact CZ-CG1 4.29Å; I84-V125 PolarHBondContact O-N 2.86Å; F90-V125 HydrophobicContact CB-CG1 4.34Å; F90-V125 HydrophobicContact CB-CG2 3.73Å; F90-V125 HydrophobicContact CD1-CG1 3.93Å; F90-V125 HydrophobicContact CD1-CG2 4.31Å; F90-V125 HydrophobicContact CD2-CG1 3.89Å; F90-V125 HydrophobicContact CE1-CG1 4.15Å; F90-V125 HydrophobicContact CE2-CG1 4.1Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.05Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; R123-V125 VanDerWaalsContact CD-O 3.27Å; R123-V125 WeakPolarHBondContact CD-O 3.4Å; R123-V125 WeakPolarHBondContact CG-O 3.46Å; V125-A130 HydrophobicContact CG1-CB 4.41Å
126E96.8Very high97Very high111 Ų11166.9 Ų66.952%0.51934%0.341SS..  trans-72.3141.6-179.6-70.5-57.4149.400111.8R128 Q129 A130E126-R128 PolarHBondContact O-N 2.97Å; E126-R128 VanDerWaalsContact O-N 3.13Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.24Å; E126-Q129 PolarHBondContact O-N 3.02Å; E126-A130 PolarHBondContact O-N 3.12Å; E126-A130 VanDerWaalsContact O-N 3.15Å
127T97.1Very high97Very high35 Ų3568.6 Ų68.622%0.21535%0.348CS..Hα-helixtrans-51.6-41.4177.4-61.40000111.3R123 Q129 A130 Q131 Y141 E143R123-T127 PolarHBondContact NH1-OG1 2.9Å; T127-Q129 PolarHBondContact O-N 3.06Å; T127-A130 PolarHBondContact O-N 2.86Å; T127-Q131 HydrophobicContact CG2-CG 4.35Å; T127-Q131 WeakPolarHBondContact O-CB 3.36Å; T127-Q131 VanDerWaalsContact O-CG 3.24Å; T127-Q131 WeakPolarHBondContact O-CG 3.34Å; T127-Q131 PolarHBondContact O-N 3.34Å; T127-Y141 HydrophobicContact CG2-CE1 4.25Å; T127-E143 WeakPolarHBondContact CB-OE1 3.19Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 2.89Å
128R97.8Very high97Very high182 Ų18268.9 Ų68.969%0.68737%0.367SS*.Hα-helixtrans-62.1-42.5178.1-177.4176.1177.4168.41.6112.3E126 Q131 D132E126-R128 PolarHBondContact O-N 2.97Å; E126-R128 VanDerWaalsContact O-N 3.13Å; R128-Q131 PolarHBondContact O-N 3.07Å; R128-D132 IonicContact NE-OD2 3.97Å; R128-D132 WeakPolarHBondContact O-CB 3.35Å; R128-D132 VanDerWaalsContact O-CG 3.24Å; R128-D132 PolarHBondContact O-N 2.88Å
129Q97.7Very high97Very high92 Ų9268.8 Ų68.843%0.4337%0.365SS..Hα-helixtrans-62.6-44.6179.5-173.5-176.317.700111F90 E126 T127 D132 L133F90-Q129 HydrophobicContact CE1-CG 3.83Å; F90-Q129 HydrophobicContact CZ-CG 4.05Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.24Å; E126-Q129 PolarHBondContact O-N 3.02Å; T127-Q129 PolarHBondContact O-N 3.06Å; Q129-D132 PolarHBondContact O-N 2.92Å; Q129-L133 PolarHBondContact O-N 3.45Å
130A98.4Very high97.1Very high0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-67.8-38.3177.300000112.7F82 F90 V125 E126 T127 L133 A134 Y141F82-A130 HydrophobicContact CE1-CB 4.32Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F90-A130 HydrophobicContact CE2-CB 3.84Å; F90-A130 HydrophobicContact CZ-CB 4.36Å; V125-A130 HydrophobicContact CG1-CB 4.41Å; E126-A130 PolarHBondContact O-N 3.12Å; E126-A130 VanDerWaalsContact O-N 3.15Å; T127-A130 PolarHBondContact O-N 2.86Å; A130-L133 PolarHBondContact O-N 3.5Å; A130-A134 WeakPolarHBondContact O-CB 3.44Å; A130-A134 PolarHBondContact O-N 3.29Å; A130-Y141 HydrophobicContact CB-CD1 4.46Å; A130-Y141 HydrophobicContact CB-CD2 4.14Å; A130-Y141 HydrophobicContact CB-CE1 3.9Å; A130-Y141 HydrophobicContact CB-CE2 3.55Å
131Q98.5Very high97.3Very high84 Ų8466.8 Ų66.839%0.39335%0.354SS..Hα-helixtrans-64.5-39.8173.1-75172.9-17.100112.8T127 R128 R135 Y141T127-Q131 HydrophobicContact CG2-CG 4.35Å; T127-Q131 WeakPolarHBondContact O-CB 3.36Å; T127-Q131 VanDerWaalsContact O-CG 3.24Å; T127-Q131 WeakPolarHBondContact O-CG 3.34Å; T127-Q131 PolarHBondContact O-N 3.34Å; R128-Q131 PolarHBondContact O-N 3.07Å; Q131-R135 WeakPolarHBondContact O-CB 3.43Å; Q131-R135 VanDerWaalsContact O-CG 3.3Å; Q131-R135 WeakPolarHBondContact O-CG 3.24Å; Q131-R135 PolarHBondContact O-N 2.94Å; Q131-R135 PolarHBondContact O-NE 3.39Å; Q131-Y141 HydrophobicContact CG-CD1 3.54Å; Q131-Y141 HydrophobicContact CG-CE1 4.05Å; Q131-Y141 HydrophobicContact CG-CG 4.47Å
132D98.6Very high97.7Very high71 Ų7161.9 Ų61.938%0.3832%0.32SS..Hα-helixtrans-64-43.3175.7-73.3-25.6000110.4R128 Q129 R135 S136R128-D132 IonicContact NE-OD2 3.97Å; R128-D132 WeakPolarHBondContact O-CB 3.35Å; R128-D132 VanDerWaalsContact O-CG 3.24Å; R128-D132 PolarHBondContact O-N 2.88Å; Q129-D132 PolarHBondContact O-N 2.92Å; D132-R135 PolarHBondContact O-N 3.36Å; D132-R135 IonicContact OD1-CZ 3.31Å; D132-R135 VanDerWaalsContact OD1-CZ 3.31Å; D132-R135 IonicContact OD1-NE 3.73Å; D132-R135 IonicContact OD1-NH2 2.91Å; D132-R135 PolarHBondContact OD1-NH2 3.01Å; D132-S136 PolarHBondContact O-N 3.49Å
133L98.4Very high98.1Very high36 Ų3660.6 Ų60.619%0.18830%0.303CS..Hα-helixtrans-61.3-51.4175.2-173.667.4000111.9F90 I93 L113 Q129 A130 R135 S136 Y137F90-L133 HydrophobicContact CD2-CD2 4.28Å; F90-L133 HydrophobicContact CE1-CD2 4.28Å; F90-L133 HydrophobicContact CE2-CB 4.3Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.9Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.28Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; L113-L133 HydrophobicContact CD2-CD2 4.28Å; Q129-L133 PolarHBondContact O-N 3.45Å; A130-L133 PolarHBondContact O-N 3.5Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; L133-S136 PolarHBondContact O-N 2.66Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.32Å; L133-Y137 HydrophobicContact CD1-CD2 4.49Å; L133-Y137 HydrophobicContact CD1-CE1 4.02Å; L133-Y137 HydrophobicContact CD1-CE2 3.82Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 3.43Å
134A98.7Very high98.2Very high2 Ų256.6 Ų56.62%0.01729%0.288CS..Hα-helixtrans-59.1-41179.500000112.3L113 A130 Y137 G138 I139L113-A134 HydrophobicContact CB-CB 4.22Å; L113-A134 HydrophobicContact CD2-CB 3.9Å; A130-A134 WeakPolarHBondContact O-CB 3.44Å; A130-A134 PolarHBondContact O-N 3.29Å; A134-Y137 CarbonylContact O-C 3.35Å; A134-Y137 PolarHBondContact O-N 3.38Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; A134-G138 PolarHBondContact O-N 2.9Å; A134-I139 CarbonylContact C-O 3.38Å; A134-I139 HydrophobicContact CB-CG1 4.28Å; A134-I139 WeakPolarHBondContact CB-O 3.43Å; A134-I139 PolarHBondContact O-N 3.28Å
135R98.4Very high98.2Very high164 Ų16453.3 Ų53.362%0.61927%0.268SS*.Hα-helixtrans-60.9-44.1173.2-80.4-175.5-76.2-174.9-6.9112.4Q131 D132 L133 Y137 G138Q131-R135 WeakPolarHBondContact O-CB 3.43Å; Q131-R135 VanDerWaalsContact O-CG 3.3Å; Q131-R135 WeakPolarHBondContact O-CG 3.24Å; Q131-R135 PolarHBondContact O-N 2.94Å; Q131-R135 PolarHBondContact O-NE 3.39Å; D132-R135 PolarHBondContact O-N 3.36Å; D132-R135 IonicContact OD1-CZ 3.31Å; D132-R135 VanDerWaalsContact OD1-CZ 3.31Å; D132-R135 IonicContact OD1-NE 3.73Å; D132-R135 IonicContact OD1-NH2 2.91Å; D132-R135 PolarHBondContact OD1-NH2 3.01Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; R135-Y137 PolarHBondContact O-N 3.36Å; R135-G138 PolarHBondContact O-N 3.25Å
136S98Very high98.2Very high85 Ų8553.4 Ų53.459%0.59427%0.269SS*.Hα-helixtrans-63.5-26176.5770000113.2D132 L133D132-S136 PolarHBondContact O-N 3.49Å; L133-S136 PolarHBondContact O-N 2.66Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.32Å
137Y97.8Very high98.2Very high40 Ų4053.6 Ų53.616%0.15727%0.268CS..Hα-helixtrans-89.3-10.4174.8-68.2-11.8000113.7I93 H94 R97 L133 A134 R135 I139I93-Y137 HydrophobicContact CG2-CE2 4.25Å; H94-Y137 PolarHBondContact ND1-OH 3.29Å; R97-Y137 VanDerWaalsContact CD-CD2 3.47Å; L133-Y137 HydrophobicContact CD1-CD2 4.49Å; L133-Y137 HydrophobicContact CD1-CE1 4.02Å; L133-Y137 HydrophobicContact CD1-CE2 3.82Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 3.43Å; A134-Y137 CarbonylContact O-C 3.35Å; A134-Y137 PolarHBondContact O-N 3.38Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; R135-Y137 PolarHBondContact O-N 3.36Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 HydrophobicContact CD2-CD1 4.2Å
138G97.7Very high98.1Very high63 Ų6355.8 Ų55.865%0.64928%0.281SS*.THydrogen-bonded Turntrans68.929.8-175.900000113.5A134 R135A134-G138 PolarHBondContact O-N 2.9Å; R135-G138 PolarHBondContact O-N 3.25Å
139I98.5Very high98.1Very high20 Ų2052.1 Ų52.110%0.10327%0.267CS..  trans-122.8154.4-177.666.6179.9000111.3M111 L113 A134 Y137M111-I139 HydrophobicContact CE-CG2 4.43Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.41Å; A134-I139 CarbonylContact C-O 3.38Å; A134-I139 HydrophobicContact CB-CG1 4.28Å; A134-I139 WeakPolarHBondContact CB-O 3.43Å; A134-I139 PolarHBondContact O-N 3.28Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 HydrophobicContact CD2-CD1 4.2Å
140P98.7Very high98.1Very high33 Ų3353 Ų5321%0.21427%0.271CS..  trans-64.2151173.3-2234.6000112.6M111 V112 L113 T158 E162M111-P140 WeakPolarHBondContact O-CD 3.26Å; V112-P140 HydrophobicContact CG1-CB 4.42Å; V112-P140 HydrophobicContact CG2-CB 4.43Å; V112-P140 HydrophobicContact CG2-CG 4.39Å; L113-P140 PolarHBondContact N-O 2.78Å; P140-T158 HydrophobicContact CB-CG2 3.75Å; P140-T158 HydrophobicContact CG-CG2 3.75Å; P140-E162 HydrophobicContact CG-CG 3.94Å
141Y98.8Very high98.1Very high38 Ų3853.5 Ų53.515%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-119.4131170.3173.9-117.7000110.7F82 L113 T127 A130 Q131 E143F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.85Å; F82-Y141 HydrophobicContact CZ-CE2 3.85Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.89Å; L113-Y141 HydrophobicContact CD2-CE2 4.43Å; L113-Y141 HydrophobicContact CG-CD2 3.82Å; L113-Y141 HydrophobicContact CG-CE2 4.36Å; L113-Y141 WeakPolarHBondContact O-CA 3.45Å; L113-Y141 WeakPolarHBondContact O-CD2 3.25Å; T127-Y141 HydrophobicContact CG2-CE1 4.25Å; A130-Y141 HydrophobicContact CB-CD1 4.46Å; A130-Y141 HydrophobicContact CB-CD2 4.14Å; A130-Y141 HydrophobicContact CB-CE1 3.9Å; A130-Y141 HydrophobicContact CB-CE2 3.55Å; Q131-Y141 HydrophobicContact CG-CD1 3.54Å; Q131-Y141 HydrophobicContact CG-CE1 4.05Å; Q131-Y141 HydrophobicContact CG-CG 4.47Å; Y141-E143 HydrophobicContact CE1-CG 3.74Å; Y141-E143 HydrophobicContact CE2-CG 4.42Å; Y141-E143 VanDerWaalsContact CZ-CG 3.49Å; Y141-E143 WeakPolarHBondContact OH-CG 3.29Å; Y141-E143 PolarHBondContact OH-OE1 3.36Å
142I98.8Very high98.1Very high26 Ų2649.5 Ų49.513%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-133.5127.1178.5-63.4175.8000109.4V112 L113 V114 G115 T144 D154 A155 T158V112-I142 HydrophobicContact CG1-CD1 4.3Å; V112-I142 HydrophobicContact CG1-CG1 4.47Å; L113-I142 PolarHBondContact O-N 2.88Å; V114-I142 WeakPolarHBondContact CA-O 3.33Å; G115-I142 PolarHBondContact N-O 3.03Å; I142-T144 HydrophobicContact CG2-CG2 3.89Å; I142-D154 HydrophobicContact CD1-CB 4.19Å; I142-D154 WeakPolarHBondContact CD1-O 3.35Å; I142-D154 HydrophobicContact CG2-CB 4.32Å; I142-A155 HydrophobicContact CG2-CB 4.3Å; I142-T158 HydrophobicContact CD1-CG2 4.07Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.3Å
143E98.7Very high98.1Very high38 Ų3849 Ų4918%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-83.8136167.9-75.9-172.6-168.500110.2G115 C118 R123 T127 Y141G115-E143 CarbonylContact O-C 3.56Å; G115-E143 VanDerWaalsContact O-CA 3.3Å; G115-E143 WeakPolarHBondContact O-CA 3.42Å; C118-E143 HydrophobicContact CB-CB 4.16Å; R123-E143 IonicContact NH2-OE1 2.59Å; R123-E143 IonicContact NH2-OE2 3.75Å; R123-E143 PolarHBondContact NH2-OE2 3.48Å; T127-E143 WeakPolarHBondContact CB-OE1 3.19Å; T127-E143 WeakPolarHBondContact CG2-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 2.89Å; Y141-E143 HydrophobicContact CE1-CG 3.74Å; Y141-E143 HydrophobicContact CE2-CG 4.42Å; Y141-E143 VanDerWaalsContact CZ-CG 3.49Å; Y141-E143 WeakPolarHBondContact OH-CG 3.29Å; Y141-E143 PolarHBondContact OH-OE1 3.36Å
144T98.7Very high98.1Very high0 Ų051.6 Ų51.60%027%0.267CS..  trans-132.4153.7-176.559.40000111.9L19 V114 G115 N116 K117 C118 I142 Q150 G151 A155L19-T144 HydrophobicContact CD2-CG2 4.45Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.44Å; G115-T144 PolarHBondContact O-N 2.95Å; N116-T144 CarbonylContact C-O 3.6Å; N116-T144 VanDerWaalsContact CA-O 3.3Å; N116-T144 WeakPolarHBondContact CA-O 3.21Å; N116-T144 WeakPolarHBondContact CA-OG1 3.27Å; N116-T144 PolarHBondContact OD1-O 3.33Å; N116-T144 PolarHBondContact OD1-OG1 3.33Å; K117-T144 PolarHBondContact N-O 3.31Å; C118-T144 PolarHBondContact N-O 2.68Å; C118-T144 PolarHBondContact SG-O 3.25Å; I142-T144 HydrophobicContact CG2-CG2 3.89Å; T144-Q150 CarbonylContact C-O 3.53Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.04Å; T144-G151 WeakPolarHBondContact CG2-O 3.3Å; T144-A155 HydrophobicContact CG2-CB 4.02Å
145S98.1Very high98.1Very high0 Ų051.6 Ų51.60%027%0.267CS..  trans-129110.6162.4173.80000108.3D119 K147 T148 R149 Q150D119-S145 WeakPolarHBondContact CB-OG 3.5Å; D119-S145 VanDerWaalsContact OD1-CB 3.27Å; D119-S145 WeakPolarHBondContact OD1-CB 3.42Å; D119-S145 PolarHBondContact OD1-OG 2.89Å; S145-K147 PolarHBondContact O-N 2.84Å; S145-K147 PolarHBondContact OG-N 2.81Å; S145-T148 WeakPolarHBondContact CB-OG1 3.45Å; S145-T148 PolarHBondContact O-N 3.28Å; S145-T148 PolarHBondContact OG-N 2.94Å; S145-T148 PolarHBondContact OG-OG1 2.83Å; S145-R149 CarbonylContact O-C 3.52Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.3Å; S145-R149 PolarHBondContact O-N 3.06Å; S145-Q150 PolarHBondContact N-O 2.67Å; S145-Q150 PolarHBondContact O-N 2.98Å
146A97.5Very high98.1Very high2 Ų243.8 Ų43.82%0.01724%0.238CC..THydrogen-bonded Turntrans-57.3-32.2168.400000111.6A18 L19 Q22 F28 N116A18-A146 HydrophobicContact CB-CB 3.65Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.22Å; Q22-A146 WeakPolarHBondContact CG-O 3.41Å; Q22-A146 PolarHBondContact NE2-O 3.4Å; F28-A146 HydrophobicContact CD2-CB 4.03Å; F28-A146 HydrophobicContact CE2-CB 4.11Å; N116-A146 PolarHBondContact OD1-N 2.74Å
147K96.6Very high98.1Very high115 Ų11541.2 Ų41.250%0.522%0.215SC..THydrogen-bonded Turntrans-70.1-46.6-178.7-174.6175.7-175.71700113F28 D119 S145F28-K147 HydrophobicContact CD1-CB 4.34Å; F28-K147 HydrophobicContact CD1-CG 4.11Å; F28-K147 HydrophobicContact CD2-CB 4.22Å; F28-K147 HydrophobicContact CE1-CB 4.25Å; F28-K147 HydrophobicContact CE1-CD 4.44Å; F28-K147 HydrophobicContact CE1-CG 4.08Å; F28-K147 HydrophobicContact CE2-CB 4.13Å; F28-K147 HydrophobicContact CG-CB 4.33Å; F28-K147 HydrophobicContact CG-CG 4.48Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.45Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; S145-K147 PolarHBondContact O-N 2.84Å; S145-K147 PolarHBondContact OG-N 2.81Å
148T96.4Very high98.2Very high80 Ų8040.5 Ų40.549%0.49122%0.215SC..THydrogen-bonded Turntrans-97-1-176.869.40000113.5D119 S145 Q150D119-T148 HydrophobicContact CB-CG2 3.98Å; S145-T148 WeakPolarHBondContact CB-OG1 3.45Å; S145-T148 PolarHBondContact O-N 3.28Å; S145-T148 PolarHBondContact OG-N 2.94Å; S145-T148 PolarHBondContact OG-OG1 2.83Å; T148-Q150 PolarHBondContact O-N 2.86Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.32Å; T148-Q150 PolarHBondContact OG1-N 3.02Å
149R97Very high98.3Very high106 Ų10637.5 Ų37.540%0.418%0.184SC..  trans67.90.3-173.3-167.3173.7168.1-171.9-1.9114.4Q22 N26 S145 G151 V152 E153Q22-R149 HydrophobicContact CG-CB 4.17Å; Q22-R149 HydrophobicContact CG-CG 4.11Å; N26-R149 PolarHBondContact OD1-NH1 3.19Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å; S145-R149 CarbonylContact O-C 3.52Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.3Å; S145-R149 PolarHBondContact O-N 3.06Å; R149-G151 PolarHBondContact O-N 2.96Å; R149-V152 PolarHBondContact O-N 3.16Å; R149-E153 IonicContact CZ-OE1 2.94Å; R149-E153 IonicContact NE-OE1 3.49Å; R149-E153 IonicContact NH2-OE1 2.75Å; R149-E153 PolarHBondContact NH2-OE1 3.23Å
150Q98.2Very high98.3Very high110 Ų11036.6 Ų36.651%0.51418%0.179SC..THydrogen-bonded Turntrans-57129178.4-179.5179.2-2600111.2T144 S145 T148 V152T144-Q150 CarbonylContact C-O 3.53Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.04Å; S145-Q150 PolarHBondContact N-O 2.67Å; S145-Q150 PolarHBondContact O-N 2.98Å; T148-Q150 PolarHBondContact O-N 2.86Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.32Å; T148-Q150 PolarHBondContact OG1-N 3.02Å; Q150-V152 PolarHBondContact O-N 2.94Å
151G98.2Very high98.3Very high10 Ų1038.6 Ų38.610%0.10318%0.182CC..THydrogen-bonded Turntrans68.1-2.1174.700000115.7T144 R149 D154 A155T144-G151 WeakPolarHBondContact CG2-O 3.3Å; R149-G151 PolarHBondContact O-N 2.96Å; G151-D154 PolarHBondContact O-N 3.21Å; G151-A155 PolarHBondContact O-N 3.26Å
152V98.5Very high98.3Very high1 Ų138.2 Ų38.21%0.00618%0.182CC..Hα-helixtrans-61.4-54.3-175.2176.40000110.2L19 Q22 L23 R149 Q150 D154 A155 F156L19-V152 HydrophobicContact CD2-CG2 3.82Å; Q22-V152 HydrophobicContact CB-CG1 4.46Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.08Å; L23-V152 HydrophobicContact CB-CG1 3.88Å; L23-V152 HydrophobicContact CD1-CG1 4.29Å; R149-V152 PolarHBondContact O-N 3.16Å; Q150-V152 PolarHBondContact O-N 2.94Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 3.14Å; V152-A155 PolarHBondContact O-N 2.98Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.28Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å; V152-F156 PolarHBondContact O-N 3.49Å
153E98.1Very high98.2Very high60 Ų6037 Ų3728%0.2818%0.176SC..Hα-helixtrans-61.8-41.3177.3-70.4-174.7-168.300111.8L23 R149 A155 F156 Y157L23-E153 HydrophobicContact CD1-CG 3.87Å; R149-E153 IonicContact CZ-OE1 2.94Å; R149-E153 IonicContact NE-OE1 3.49Å; R149-E153 IonicContact NH2-OE1 2.75Å; R149-E153 PolarHBondContact NH2-OE1 3.23Å; E153-A155 VanDerWaalsContact C-N 3.29Å; E153-A155 PolarHBondContact O-N 3.38Å; E153-F156 PolarHBondContact O-N 3.04Å; E153-Y157 HydrophobicContact CB-CD2 4.17Å; E153-Y157 HydrophobicContact CB-CE2 3.79Å; E153-Y157 HydrophobicContact CG-CE2 4.26Å; E153-Y157 VanDerWaalsContact O-CB 3.27Å; E153-Y157 WeakPolarHBondContact O-CB 3.33Å; E153-Y157 WeakPolarHBondContact O-CD1 3.47Å; E153-Y157 PolarHBondContact O-N 3.29Å
154D98.5Very high98.2Very high91 Ų9137.1 Ų37.149%0.48718%0.175SC..Hα-helixtrans-58.2-41.5179.6-61.7-38.8000111.9I142 G151 V152 T158I142-D154 HydrophobicContact CD1-CB 4.19Å; I142-D154 WeakPolarHBondContact CD1-O 3.35Å; I142-D154 HydrophobicContact CG2-CB 4.32Å; G151-D154 PolarHBondContact O-N 3.21Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 3.14Å; D154-T158 WeakPolarHBondContact O-CB 3.4Å; D154-T158 PolarHBondContact O-N 2.59Å; D154-T158 PolarHBondContact O-OG1 3.02Å
155A98.8Very high98.1Very high1 Ų141.8 Ų41.81%0.00820%0.196CC..Hα-helixtrans-60.5-54.3178.100000111.9L79 V114 I142 T144 G151 V152 E153 L159L79-A155 HydrophobicContact CD1-CB 4.42Å; L79-A155 HydrophobicContact CD2-CB 4.47Å; V114-A155 HydrophobicContact CG2-CB 4.02Å; I142-A155 HydrophobicContact CG2-CB 4.3Å; T144-A155 HydrophobicContact CG2-CB 4.02Å; G151-A155 PolarHBondContact O-N 3.26Å; V152-A155 PolarHBondContact O-N 2.98Å; E153-A155 VanDerWaalsContact C-N 3.29Å; E153-A155 PolarHBondContact O-N 3.38Å; A155-L159 PolarHBondContact O-N 3.15Å; A155-L159 VanDerWaalsContact O-N 3.13Å
156F98.7Very high98.1Very high1 Ų142.6 Ų42.60%0.00420%0.2CC..Hα-helixtrans-68.1-38.8-178.7-72.3-86.5000112.3L6 V8 L19 L23 L53 I55 L79 V152 E153 L159 V160L6-F156 HydrophobicContact CD1-CD1 3.92Å; V8-F156 HydrophobicContact CG2-CE1 4.01Å; V8-F156 HydrophobicContact CG2-CZ 4.25Å; L19-F156 HydrophobicContact CB-CE2 4.43Å; L23-F156 HydrophobicContact CB-CD2 4.23Å; L23-F156 HydrophobicContact CB-CE2 4.09Å; L23-F156 HydrophobicContact CD1-CD2 4.11Å; L23-F156 HydrophobicContact CD2-CB 4.01Å; L23-F156 HydrophobicContact CD2-CD1 3.88Å; L23-F156 HydrophobicContact CD2-CD2 3.61Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.99Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.27Å; L23-F156 HydrophobicContact CG-CD2 4.19Å; L23-F156 HydrophobicContact CG-CE2 4.5Å; L53-F156 HydrophobicContact CD1-CB 4.5Å; I55-F156 HydrophobicContact CD1-CD1 3.78Å; I55-F156 HydrophobicContact CD1-CE1 3.7Å; I55-F156 HydrophobicContact CD1-CZ 4.49Å; I55-F156 HydrophobicContact CG1-CD1 4.35Å; I55-F156 HydrophobicContact CG1-CE1 4.21Å; I55-F156 HydrophobicContact CG2-CE1 3.92Å; L79-F156 HydrophobicContact CD1-CD1 3.67Å; L79-F156 HydrophobicContact CD1-CD2 4.09Å; L79-F156 HydrophobicContact CD1-CE1 3.5Å; L79-F156 VanDerWaalsContact CD1-CE1 3.5Å; L79-F156 HydrophobicContact CD1-CE2 3.94Å; L79-F156 HydrophobicContact CD1-CG 3.97Å; L79-F156 HydrophobicContact CD1-CZ 3.64Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.28Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å; V152-F156 PolarHBondContact O-N 3.49Å; E153-F156 PolarHBondContact O-N 3.04Å; F156-L159 PolarHBondContact O-N 3.24Å; F156-V160 PolarHBondContact O-N 2.95Å; F156-V160 VanDerWaalsContact O-N 3.13Å
157Y98.7Very high98Very high31 Ų3146.2 Ų46.212%0.12222%0.216CC..Hα-helixtrans-74.1-36.1-177.9-63.3-2.6000111.6L23 V44 I46 L53 E153 L159 V160 R161L23-Y157 HydrophobicContact CD1-CE1 4.49Å; V44-Y157 HydrophobicContact CB-CE1 4.22Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.12Å; I46-Y157 HydrophobicContact CD1-CD1 3.41Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.41Å; I46-Y157 HydrophobicContact CD1-CE1 4.01Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.73Å; I46-Y157 HydrophobicContact CG1-CD2 4.15Å; I46-Y157 HydrophobicContact CG1-CE1 4.1Å; I46-Y157 HydrophobicContact CG1-CE2 4.48Å; I46-Y157 HydrophobicContact CG1-CG 3.78Å; L53-Y157 HydrophobicContact CD1-CE1 4.34Å; E153-Y157 HydrophobicContact CB-CD2 4.17Å; E153-Y157 HydrophobicContact CB-CE2 3.79Å; E153-Y157 HydrophobicContact CG-CE2 4.26Å; E153-Y157 VanDerWaalsContact O-CB 3.27Å; E153-Y157 WeakPolarHBondContact O-CB 3.33Å; E153-Y157 WeakPolarHBondContact O-CD1 3.47Å; E153-Y157 PolarHBondContact O-N 3.29Å; Y157-L159 VanDerWaalsContact C-N 3.29Å; Y157-L159 PolarHBondContact O-N 3.05Å; Y157-V160 PolarHBondContact O-N 2.85Å; Y157-R161 WeakPolarHBondContact O-CG 3.48Å; Y157-R161 PolarHBondContact O-N 3.38Å
158T98.8Very high97.9Very high25 Ų2545.9 Ų45.915%0.15322%0.219CC..Hα-helixtrans-61.8-40.1171.2-60.90000110.8V112 P140 I142 D154 V160 R161 E162V112-T158 HydrophobicContact CG2-CG2 4Å; P140-T158 HydrophobicContact CB-CG2 3.75Å; P140-T158 HydrophobicContact CG-CG2 3.75Å; I142-T158 HydrophobicContact CD1-CG2 4.07Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.3Å; D154-T158 WeakPolarHBondContact O-CB 3.4Å; D154-T158 PolarHBondContact O-N 2.59Å; D154-T158 PolarHBondContact O-OG1 3.02Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 3Å; T158-R161 WeakPolarHBondContact O-CA 3.35Å; T158-R161 WeakPolarHBondContact O-CB 3.49Å; T158-R161 PolarHBondContact O-N 2.92Å; T158-R161 VanDerWaalsContact O-N 3.08Å; T158-E162 WeakPolarHBondContact O-CG 3.43Å; T158-E162 PolarHBondContact O-N 2.96Å
159L98.9Very high97.7Very high0 Ų047.3 Ų47.30%022%0.215CC..Hα-helixtrans-62-40.4175.3-177.360.5000112.6L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163L6-L159 HydrophobicContact CB-CD2 4.12Å; L6-L159 HydrophobicContact CD1-CD2 4.4Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.34Å; L79-L159 HydrophobicContact CD2-CB 3.94Å; L79-L159 HydrophobicContact CD2-CD2 3.79Å; L79-L159 HydrophobicContact CD2-CG 4.38Å; L79-L159 HydrophobicContact CG-CD2 3.83Å; P110-L159 HydrophobicContact CB-CD1 4.39Å; V112-L159 HydrophobicContact CG2-CB 3.91Å; V112-L159 HydrophobicContact CG2-CD1 4.07Å; A155-L159 PolarHBondContact O-N 3.15Å; A155-L159 VanDerWaalsContact O-N 3.13Å; F156-L159 PolarHBondContact O-N 3.24Å; Y157-L159 VanDerWaalsContact C-N 3.29Å; Y157-L159 PolarHBondContact O-N 3.05Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3Å; L159-E162 PolarHBondContact O-N 3.29Å; L159-I163 HydrophobicContact CG-CD1 4.33Å; L159-I163 WeakPolarHBondContact O-CG1 3.5Å; L159-I163 PolarHBondContact O-N 2.71Å
160V98.8Very high97.3Very high0 Ų048.8 Ų48.80%022%0.224CC..Hα-helixtrans-60.1-40.4173.3171.60000111.3Y4 L6 I46 L53 F156 Y157 T158 I163 R164Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.71Å; Y4-V160 HydrophobicContact CD2-CG2 4.15Å; Y4-V160 HydrophobicContact CE1-CG1 4.31Å; Y4-V160 HydrophobicContact CE2-CG1 3.53Å; Y4-V160 HydrophobicContact CG-CG1 4.18Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; I46-V160 HydrophobicContact CD1-CB 3.85Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.75Å; L53-V160 HydrophobicContact CD2-CG2 3.57Å; F156-V160 PolarHBondContact O-N 2.95Å; F156-V160 VanDerWaalsContact O-N 3.13Å; Y157-V160 PolarHBondContact O-N 2.85Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 3Å; V160-I163 PolarHBondContact O-N 2.89Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.08Å
161R98.7Very high96.8Very high76 Ų7649.9 Ų49.929%0.28723%0.233SC..Hα-helixtrans-63.7-41.3175.3-66.4173.4-172.5121-2.1111.9D47 Y157 T158 L159 I163 R164 Q165D47-R161 IonicContact OD1-CZ 2.83Å; D47-R161 IonicContact OD1-NE 3.67Å; D47-R161 PolarHBondContact OD1-NE 3.43Å; D47-R161 IonicContact OD1-NH2 3.21Å; D47-R161 PolarHBondContact OD1-NH2 3.08Å; D47-R161 WeakPolarHBondContact OD2-CG 3.46Å; D47-R161 IonicContact OD2-CZ 3.89Å; D47-R161 IonicContact OD2-NE 3.11Å; D47-R161 PolarHBondContact OD2-NE 3.16Å; D47-R161 IonicContact OD2-NH2 3.47Å; Y157-R161 WeakPolarHBondContact O-CG 3.48Å; Y157-R161 PolarHBondContact O-N 3.38Å; T158-R161 WeakPolarHBondContact O-CA 3.35Å; T158-R161 WeakPolarHBondContact O-CB 3.49Å; T158-R161 PolarHBondContact O-N 2.92Å; T158-R161 VanDerWaalsContact O-N 3.08Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3Å; R161-I163 VanDerWaalsContact C-N 3.35Å; R161-I163 PolarHBondContact O-N 3.34Å; R161-R164 WeakPolarHBondContact O-CB 3.44Å; R161-R164 PolarHBondContact O-N 3.17Å; R161-Q165 WeakPolarHBondContact O-CG 3.38Å; R161-Q165 PolarHBondContact O-N 3.31Å
162E98.7Very high96.1Very high29 Ų2955.3 Ų55.314%0.13626%0.26CS..Hα-helixtrans-62.5-41.1175-67.4-54.2110.600111.8P110 V112 P140 T158 L159 Q165 H166P110-E162 HydrophobicContact CB-CB 4.05Å; V112-E162 HydrophobicContact CG2-CG 4.31Å; P140-E162 HydrophobicContact CG-CG 3.94Å; T158-E162 WeakPolarHBondContact O-CG 3.43Å; T158-E162 PolarHBondContact O-N 2.96Å; L159-E162 PolarHBondContact O-N 3.29Å; E162-Q165 PolarHBondContact O-N 3.45Å; E162-H166 VanDerWaalsContact O-CB 3.32Å; E162-H166 WeakPolarHBondContact O-CB 3.02Å; E162-H166 PolarHBondContact O-N 3.24Å
163I98.5Very high94.9Very high2 Ų259.6 Ų59.61%0.0129%0.288CS..Hα-helixtrans-63.1-44.7175.1-64.5164.8000110.9Y4 L6 E76 P110 L159 V160 R161 H166 K167Y4-I163 HydrophobicContact CD1-CB 4.33Å; Y4-I163 HydrophobicContact CD1-CD1 4.38Å; Y4-I163 HydrophobicContact CD1-CG2 3.81Å; Y4-I163 HydrophobicContact CE1-CG2 4.01Å; L6-I163 HydrophobicContact CD2-CD1 3.36Å; E76-I163 HydrophobicContact CB-CD1 4.02Å; E76-I163 HydrophobicContact CB-CG1 4.39Å; E76-I163 HydrophobicContact CB-CG2 4.18Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; L159-I163 HydrophobicContact CG-CD1 4.33Å; L159-I163 WeakPolarHBondContact O-CG1 3.5Å; L159-I163 PolarHBondContact O-N 2.71Å; V160-I163 PolarHBondContact O-N 2.89Å; R161-I163 VanDerWaalsContact C-N 3.35Å; R161-I163 PolarHBondContact O-N 3.34Å; I163-H166 PolarHBondContact O-N 3.11Å; I163-K167 HydrophobicContact CG2-CD 4.22Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 3.03Å
164R97.9Very high93.5Very high40 Ų4062 Ų6215%0.15131%0.309CS..Hα-helixtrans-59-48.6176.4-73.9170.2172.7172.7-4.2111.2Y4 I46 D47 E49 V160 R161 H166 K167 L168Y4-R164 HydrophobicContact CE1-CG 4.22Å; Y4-R164 VanDerWaalsContact OH-CG 3.31Å; Y4-R164 WeakPolarHBondContact OH-CG 3.28Å; Y4-R164 PolarHBondContact OH-NE 2.92Å; I46-R164 PolarHBondContact O-NH1 3.34Å; I46-R164 PolarHBondContact O-NH2 3.1Å; D47-R164 IonicContact OD2-NH1 2.74Å; D47-R164 PolarHBondContact OD2-NH1 3.27Å; E49-R164 IonicContact OE2-CZ 3.18Å; E49-R164 VanDerWaalsContact OE2-CZ 3.3Å; E49-R164 IonicContact OE2-NE 3.73Å; E49-R164 IonicContact OE2-NH2 3.09Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.08Å; R161-R164 WeakPolarHBondContact O-CB 3.44Å; R161-R164 PolarHBondContact O-N 3.17Å; R164-H166 PolarHBondContact O-N 3.34Å; R164-K167 PolarHBondContact O-N 3.37Å; R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.13Å
165Q97.2Very high92.1Very high97 Ų9765 Ų6545%0.45332%0.324SS..Hα-helixtrans-62.5-41.7178.3-72.4179.944.200112.2R161 E162 L168 R169R161-Q165 WeakPolarHBondContact O-CG 3.38Å; R161-Q165 PolarHBondContact O-N 3.31Å; E162-Q165 PolarHBondContact O-N 3.45Å; Q165-L168 PolarHBondContact O-N 3.16Å; Q165-R169 WeakPolarHBondContact O-CG 3.11Å; Q165-R169 PolarHBondContact O-N 2.88Å
166H97.2Very high90.2Very high17 Ų1774.1 Ų74.18%0.07937%0.367CS..Hα-helixtrans-63.6-42.1176.8178.755000112.3D108 P110 E162 I163 R164 L168 R169 K170D108-H166 PolarHBondContact O-CE1 3.03Å; D108-H166 IonicContact OD1-ND1 2.69Å; D108-H166 IonicContact OD2-CE1 3.51Å; D108-H166 PolarHBondContact OD2-CE1 3.03Å; D108-H166 IonicContact OD2-ND1 3.72Å; D108-H166 PolarHBondContact OD2-ND1 2.67Å; P110-H166 HydrophobicContact CG-CB 3.58Å; E162-H166 VanDerWaalsContact O-CB 3.32Å; E162-H166 WeakPolarHBondContact O-CB 3.02Å; E162-H166 PolarHBondContact O-N 3.24Å; I163-H166 PolarHBondContact O-N 3.11Å; R164-H166 PolarHBondContact O-N 3.34Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.05Å; H166-R169 PolarHBondContact O-N 2.81Å; H166-K170 WeakPolarHBondContact CE1-CE 3.42Å; H166-K170 PolarHBondContact CE1-NZ 3.39Å; H166-K170 VanDerWaalsContact CE1-NZ 3.35Å; H166-K170 VanDerWaalsContact NE2-CE 3.34Å; H166-K170 WeakPolarHBondContact NE2-CE 3.42Å; H166-K170 PolarHBondContact NE2-NZ 3.15Å; H166-K170 PolarHBondContact O-N 3.34Å; H166-K170 VanDerWaalsContact O-N 3.08Å
167K95.6Very high87.9Confident79 Ų7978.7 Ų78.734%0.34340%0.399SS..Hα-helixtrans-60.9-41174-73.6179.6179-178.80111.8E76 I163 R164 K170 L171E76-K167 VanDerWaalsContact OE1-CE 3.25Å; E76-K167 WeakPolarHBondContact OE1-CE 3.27Å; E76-K167 IonicContact OE1-NZ 3.3Å; E76-K167 PolarHBondContact OE1-NZ 3.41Å; I163-K167 HydrophobicContact CG2-CD 4.22Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 3.03Å; R164-K167 PolarHBondContact O-N 3.37Å; K167-K170 PolarHBondContact O-N 2.94Å; K167-L171 WeakPolarHBondContact O-CG 3.34Å; K167-L171 PolarHBondContact O-N 3.47Å
168L93.9Very high85.4Confident108 Ų10879.7 Ų79.757%0.56542%0.419SS*.Hα-helixtrans-64.3-44.1176.2-70.9171.5000112.4R164 Q165 H166 K170 L171 N172R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.13Å; Q165-L168 PolarHBondContact O-N 3.16Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.05Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.41Å; L168-L171 PolarHBondContact O-N 2.95Å; L168-N172 PolarHBondContact O-N 2.63Å
169R92.1Very high83.2Confident110 Ų11085.1 Ų85.142%0.41546%0.455SS..Hα-helixtrans-61.5-35.1176.9-73.3-177.3-75142.7-3.5112.6D108 Q165 H166 N172D108-R169 IonicContact OD1-CZ 2.78Å; D108-R169 IonicContact OD1-NH1 3.42Å; D108-R169 PolarHBondContact OD1-NH1 3.04Å; D108-R169 IonicContact OD1-NH2 2.72Å; D108-R169 PolarHBondContact OD1-NH2 3.01Å; D108-R169 VanDerWaalsContact OD1-NH2 3.09Å; D108-R169 IonicContact OD2-CZ 3.88Å; D108-R169 IonicContact OD2-NH1 3.83Å; D108-R169 PolarHBondContact OD2-NH1 2.86Å; D108-R169 IonicContact OD2-NH2 3.8Å; Q165-R169 WeakPolarHBondContact O-CG 3.11Å; Q165-R169 PolarHBondContact O-N 2.88Å; H166-R169 PolarHBondContact O-N 2.81Å; R169-N172 CarbonylContact O-C 3.5Å
170K89.3Confident80.6Confident137 Ų13788.2 Ų88.260%0.59649%0.486SS*.Hα-helixtrans-72.6-29.3175.5-80.2-177.4163.1164.90114H166 K167 L168H166-K170 WeakPolarHBondContact CE1-CE 3.42Å; H166-K170 PolarHBondContact CE1-NZ 3.39Å; H166-K170 VanDerWaalsContact CE1-NZ 3.35Å; H166-K170 VanDerWaalsContact NE2-CE 3.34Å; H166-K170 WeakPolarHBondContact NE2-CE 3.42Å; H166-K170 PolarHBondContact NE2-NZ 3.15Å; H166-K170 PolarHBondContact O-N 3.34Å; H166-K170 VanDerWaalsContact O-N 3.08Å; K167-K170 PolarHBondContact O-N 2.94Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.41Å
171L87.7Confident78Confident132 Ų13293.4 Ų93.469%0.69152%0.522SS*.Hα-helixtrans-80.4-33.6177.2-73.2165.6000112.3K167 L168 P173K167-L171 WeakPolarHBondContact O-CG 3.34Å; K167-L171 PolarHBondContact O-N 3.47Å; L168-L171 PolarHBondContact O-N 2.95Å; L171-P173 VanDerWaalsContact C-CD 3.45Å; L171-P173 WeakPolarHBondContact O-CD 3.3Å
172N83.5Confident75.6Confident124 Ų12498.3 Ų98.366%0.66355%0.55SS*.SBendtrans-119.772.5179.3-64.1-19.8000109.9L168 R169L168-N172 PolarHBondContact O-N 2.63Å; R169-N172 CarbonylContact O-C 3.5Å
173P73Confident73.1Confident92 Ų92103.3 Ų103.360%0.59758%0.578SS**  trans-58.1137.8172.225-31.4000108.8L171 D175L171-P173 VanDerWaalsContact C-CD 3.45Å; L171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-D175 PolarHBondContact O-N 2.85Å
174P68.7Low70.6Confident111 Ų111109.5 Ų109.572%0.72162%0.62SS**  trans-56.2134.6173.422.9-30.7000108.8E176P174-E176 PolarHBondContact O-N 2.94Å
175D69.8Low68Low152 Ų152116 Ų11681%0.81365%0.649SS**  trans-53.7104175.8-91.3-35.2000109.2P173 S177P173-D175 PolarHBondContact O-N 2.85Å; D175-S177 PolarHBondContact O-N 3.13Å
176E58.5Low65.6Low193 Ų193118.1 Ų118.190%0.90267%0.673SS**  trans-75.435.3166.4-69.7-153.1156.800111.1P174 G178P174-E176 PolarHBondContact O-N 2.94Å; E176-G178 PolarHBondContact O-N 2.59Å
177S50.9Low63.1Low97 Ų97122.6 Ų122.668%0.67870%0.701SS**  trans-76.181.2161.462.50000107.8D175D175-S177 PolarHBondContact O-N 3.13Å
178G46Very low60.7Low53 Ų53125.9 Ų125.955%0.54672%0.721SS.*  trans-52158.8166.600000110.9E176 G180E176-G178 PolarHBondContact O-N 2.59Å; G178-G180 PolarHBondContact O-N 3.39Å
179P51.4Low58.8Low139 Ų139130 Ų13090%0.90376%0.758SS**  trans-67.987.3-178.128.8-32.2000108.9C181P179-C181 VanDerWaalsContact C-N 3.32Å; P179-C181 PolarHBondContact O-N 3.22Å
180G45.2Very low57.1Low64 Ų64131 Ų13166%0.6678%0.775SS**  trans-62.497.2170.800000107.7G178 M182G178-G180 PolarHBondContact O-N 3.39Å; G180-M182 PolarHBondContact O-N 3.26Å
181C43.9Very low55.4Low110 Ų110130.6 Ų130.674%0.74379%0.785SS**  trans-37.997.1166-173.70000110.1P179 N183P179-C181 VanDerWaalsContact C-N 3.32Å; P179-C181 PolarHBondContact O-N 3.22Å; C181-N183 PolarHBondContact O-N 3.36Å
182M48.7Very low53.6Low179 Ų179130.6 Ų130.688%0.88279%0.79SS**  trans-74.290.2169.4-77.3-173.2-168.800107.1G180 C184G180-M182 PolarHBondContact O-N 3.26Å; M182-C184 PolarHBondContact O-N 2.92Å
183N46.7Very low51.8Low134 Ų134130.9 Ų130.972%0.71780%0.798SS**  trans-42.4110.7164-92-36.7000109.9C181 K185C181-N183 PolarHBondContact O-N 3.36Å; N183-K185 PolarHBondContact O-N 2.93Å
184C44.5Very low50.5Low132 Ų132133.4 Ų133.489%0.89281%0.81SS**  trans-53100.7164.6-66.70000109.8M182M182-C184 PolarHBondContact O-N 2.92Å
185K44.8Very low49.3Very low176 Ų176134.9 Ų134.977%0.76582%0.816SS**  trans-135.491.1161.4-74.3-170.1178-177.20108.1N183N183-K185 PolarHBondContact O-N 2.93Å
186C45.7Very low47.8Very low142 Ų142133.6 Ų133.696%0.95982%0.816SS**  trans-117.6110.9153.3-85.80000107.4
187V45.4Very low47Very low110 Ų110129.1 Ų129.167%0.66781%0.81SS**  trans-94.3128.9-172166.10000106.8
188I43.9Very low46.7Very low149 Ų149131.8 Ų131.876%0.76482%0.821SS**  trans52.9112.8144.9-48166.5000117.7
189S54Low46.8Very low193 Ų193138.9 Ų138.9100%1.3585%0.846SS**  -145.90128.2-70.70000108.9

Retrieved 189 of 189 residues in 41 ms (Link to these results)

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