A0A5K4F1Y0_SCHMA Loading...

Heat shock protein 70

AlphaFold DB , UniProt , Accession A0A5K4F1Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53.5Low87.8Confident175 Ų17529.7 Ų29.786%0.86217%0.165SC*.  0141.40-75.2-165.8-113.900107.4N3 R135M1-N3 PolarHBondContact O-N 3.45Å; M1-N3 PolarHBondContact O-OD1 2.96Å; M1-R135 VanDerWaalsContact CB-NH2 3.3Å; M1-R135 PolarHBondContact SD-NH1 3.36Å
2P59.7Low88.4Confident56 Ų5628.2 Ų28.236%0.36416%0.157SC..  trans-61133.9176.724.6-31.1000110.6A4 R135P2-A4 VanDerWaalsContact C-N 3.31Å; P2-R135 PolarHBondContact O-NH2 2.84Å
3N79.3Confident89.1Confident48 Ų4830.1 Ų30.126%0.25716%0.161SC..  trans-99.638.7-178.2-74.2-14000110.8M1 R135 T136 S138 D139M1-N3 PolarHBondContact O-N 3.45Å; M1-N3 PolarHBondContact O-OD1 2.96Å; N3-R135 PolarHBondContact OD1-NE 2.93Å; N3-R135 PolarHBondContact OD1-NH2 3.34Å; N3-T136 PolarHBondContact ND2-O 2.93Å; N3-S138 PolarHBondContact O-N 2.85Å; N3-D139 PolarHBondContact O-N 2.9Å; N3-D139 VanDerWaalsContact O-N 3.15Å
4A94.7Very high89.8Confident8 Ų828 Ų287%0.06615%0.15CC..EExtended strand (participates in β ladder)trans-107.5135.1-174.400000111.6P2 D139 L168 A375 S379P2-A4 VanDerWaalsContact C-N 3.31Å; A4-D139 VanDerWaalsContact CA-O 3.28Å; A4-D139 WeakPolarHBondContact CA-O 3.29Å; A4-D139 HydrophobicContact CB-CB 3.88Å; A4-L168 HydrophobicContact CB-CD1 4.02Å; A4-A375 HydrophobicContact CB-CB 3.91Å; A4-S379 WeakPolarHBondContact CB-OG 3.49Å
5I98.1Very high90.3Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-118.8152.5176.557.5171.3000110.6I7 V16 G17 V18 A129 L133 V137 D139 A140 V141I5-I7 HydrophobicContact CD1-CD1 3.65Å; I5-I7 HydrophobicContact CD1-CG1 3.79Å; I5-I7 HydrophobicContact CG1-CD1 4.19Å; I5-I7 HydrophobicContact CG1-CG1 4.07Å; I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.8Å; I5-V16 HydrophobicContact CG1-CG2 4.42Å; I5-G17 WeakPolarHBondContact CA-O 3.44Å; I5-V18 HydrophobicContact CG2-CB 4.45Å; I5-V18 HydrophobicContact CG2-CG2 4.48Å; I5-A129 HydrophobicContact CD1-CB 4.08Å; I5-A129 HydrophobicContact CG2-CB 3.84Å; I5-L133 HydrophobicContact CG2-CD1 4.5Å; I5-V137 HydrophobicContact CB-CG1 4.42Å; I5-V137 HydrophobicContact CD1-CG1 3.73Å; I5-V137 HydrophobicContact CG1-CG1 3.73Å; I5-V137 HydrophobicContact CG2-CG1 3.9Å; I5-V137 HydrophobicContact CG2-CG2 4.31Å; I5-D139 PolarHBondContact N-O 3.48Å; I5-D139 VanDerWaalsContact N-O 3.1Å; I5-A140 HydrophobicContact CG1-CB 4.09Å; I5-A140 CarbonylContact O-C 3.28Å; I5-A140 VanDerWaalsContact O-CA 3.29Å; I5-A140 WeakPolarHBondContact O-CA 3.33Å; I5-V141 PolarHBondContact O-N 3.46Å
6G98.5Very high90.9Very high0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-96.6128.3166.600000109.8V16 G17 A371G6-V16 WeakPolarHBondContact O-CA 3.26Å; G6-G17 PolarHBondContact N-O 3.46Å; G6-G17 PolarHBondContact O-N 3.23Å; G6-A371 VanDerWaalsContact CA-C 3.5Å
7I98.7Very high91.3Very high0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-121.2122.8178.7-55.1172.9000109.3I5 C15 V16 L122 M125 A140 V141 I142 T143 L165I5-I7 HydrophobicContact CD1-CD1 3.65Å; I5-I7 HydrophobicContact CD1-CG1 3.79Å; I5-I7 HydrophobicContact CG1-CD1 4.19Å; I5-I7 HydrophobicContact CG1-CG1 4.07Å; I7-C15 WeakPolarHBondContact CA-O 3.23Å; I7-V16 HydrophobicContact CG1-CG2 4.09Å; I7-L122 HydrophobicContact CD1-CD2 3.99Å; I7-L122 HydrophobicContact CG2-CD2 3.84Å; I7-M125 HydrophobicContact CD1-CB 4.14Å; I7-M125 HydrophobicContact CG1-CB 4.4Å; I7-M125 HydrophobicContact CG2-CB 4.18Å; I7-M125 HydrophobicContact CG2-CG 3.96Å; I7-A140 HydrophobicContact CD1-CB 4.16Å; I7-V141 PolarHBondContact N-O 2.8Å; I7-I142 WeakPolarHBondContact O-CA 3.41Å; I7-T143 PolarHBondContact O-N 2.87Å; I7-T143 PolarHBondContact O-OG1 3.2Å; I7-L165 HydrophobicContact CD1-CD1 3.85Å
8D98.4Very high91.6Very high21 Ų2122.2 Ų22.211%0.11212%0.119CC..EExtended strand (participates in β ladder)trans-85.1104.4158.1-179.320.3000109.4G10 S14 C15 T143 V367 A368D8-G10 PolarHBondContact O-N 2.82Å; D8-S14 CarbonylContact O-C 3.55Å; D8-S14 WeakPolarHBondContact O-CA 3.4Å; D8-S14 VanDerWaalsContact O-CB 3.22Å; D8-S14 WeakPolarHBondContact O-CB 3.32Å; D8-C15 HydrophobicContact CB-CB 4.21Å; D8-C15 PolarHBondContact N-O 3.39Å; D8-C15 PolarHBondContact O-N 3.17Å; D8-T143 WeakPolarHBondContact CA-OG1 3.33Å; D8-T143 PolarHBondContact OD1-OG1 3.47Å; D8-T143 VanDerWaalsContact OD1-OG1 3.11Å; D8-V367 HydrophobicContact CB-CB 4.14Å; D8-V367 HydrophobicContact CB-CG1 3.76Å; D8-A368 HydrophobicContact CB-CB 3.89Å
9L97.4Very high91.7Very high4 Ų421.6 Ų21.62%0.02112%0.115CC..  trans-86.582.5173.9178.464.4000108.1K69 V121 L122 I142 T156L9-K69 WeakPolarHBondContact O-CD 3.34Å; L9-K69 WeakPolarHBondContact O-CE 3.34Å; L9-K69 PolarHBondContact O-NZ 3.49Å; L9-V121 HydrophobicContact CD1-CB 4.19Å; L9-V121 HydrophobicContact CD1-CG1 3.97Å; L9-L122 HydrophobicContact CB-CD2 4.29Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.19Å; L9-L122 HydrophobicContact CD2-CD1 4.39Å; L9-L122 HydrophobicContact CD2-CD2 4.31Å; L9-L122 HydrophobicContact CD2-CG 4.38Å; L9-L122 HydrophobicContact CG-CD2 4.45Å; L9-I142 HydrophobicContact CB-CG2 4.03Å; L9-T156 HydrophobicContact CD2-CG2 4.21Å
10G94.8Very high91.6Very high9 Ų922.2 Ų22.29%0.09312%0.117CC..  trans-86.4163.4-175.300000114.3D8 Y13 S14 S38D8-G10 PolarHBondContact O-N 2.82Å; G10-Y13 CarbonylContact C-O 3.58Å; G10-Y13 WeakPolarHBondContact CA-O 3.14Å; G10-Y13 PolarHBondContact N-O 3.47Å; G10-S14 PolarHBondContact N-OG 3.15Å; G10-S38 WeakPolarHBondContact O-CB 3.47Å; G10-S38 PolarHBondContact O-OG 3.42Å
11T93.3Very high91.4Very high6 Ų629.4 Ų29.44%0.03715%0.15CC..SBendtrans-64.7-45.9-179.7-55.30000112.2S38 D67 R70T11-S38 WeakPolarHBondContact O-CB 3.36Å; T11-D67 HydrophobicContact CG2-CB 4.12Å; T11-R70 HydrophobicContact CG2-CG 4Å
12T95Very high93Very high11 Ų1122.6 Ų22.67%0.06713%0.125CC..SBendtrans-104.7-35.5-176.5-44.40000112.1P37 S38 G200T12-P37 WeakPolarHBondContact O-CA 3.44Å; T12-S38 PolarHBondContact O-N 3.14Å; T12-G200 WeakPolarHBondContact OG1-CA 3.38Å
13Y97.3Very high94.5Very high53 Ų5325.1 Ų25.121%0.20813%0.13CC..EExtended strand (participates in β ladder)trans-138.7143.3179.8-71.4-92.9000109.6G10 T36 P37 K54 R270G10-Y13 CarbonylContact C-O 3.58Å; G10-Y13 WeakPolarHBondContact CA-O 3.14Å; G10-Y13 PolarHBondContact N-O 3.47Å; Y13-T36 CarbonylContact C-O 3.6Å; Y13-T36 VanDerWaalsContact CA-O 3.29Å; Y13-T36 WeakPolarHBondContact CA-O 3.46Å; Y13-P37 HydrophobicContact CD1-CB 4.49Å; Y13-P37 HydrophobicContact CD1-CG 4.2Å; Y13-P37 HydrophobicContact CE1-CB 4.3Å; Y13-P37 HydrophobicContact CE1-CG 3.75Å; Y13-K54 PolarHBondContact OH-NZ 3.2Å; Y13-R270 VanDerWaalsContact CZ-NH2 3.28Å; Y13-R270 PolarHBondContact OH-NH2 3.33Å
14S98.4Very high95.2Very high1 Ų123.4 Ų23.41%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-112.5152.8171.2-60.40000110.3D8 G10 T36 S38 V121D8-S14 CarbonylContact O-C 3.55Å; D8-S14 WeakPolarHBondContact O-CA 3.4Å; D8-S14 VanDerWaalsContact O-CB 3.22Å; D8-S14 WeakPolarHBondContact O-CB 3.32Å; G10-S14 PolarHBondContact N-OG 3.15Å; S14-T36 PolarHBondContact N-O 2.81Å; S14-T36 PolarHBondContact O-N 3.16Å; S14-S38 PolarHBondContact N-OG 3.35Å; S14-S38 PolarHBondContact OG-OG 2.84Å; S14-V121 VanDerWaalsContact OG-CG1 3.32Å; S14-V121 WeakPolarHBondContact OG-CG1 3.47Å
15C98.4Very high95.2Very high2 Ų225.6 Ų25.61%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-138.8146.3-176.8-175.50000109.5I7 D8 I26 R34 T35 A368I7-C15 WeakPolarHBondContact CA-O 3.23Å; D8-C15 HydrophobicContact CB-CB 4.21Å; D8-C15 PolarHBondContact N-O 3.39Å; D8-C15 PolarHBondContact O-N 3.17Å; C15-I26 VanDerWaalsContact SG-CG2 3.57Å; C15-R34 PolarHBondContact SG-O 2.96Å; C15-R34 VanDerWaalsContact SG-O 3.33Å; C15-T35 HydrophobicContact CB-CG2 4.36Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.54Å
16V98.6Very high95.2Very high2 Ų226.4 Ų26.41%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-133136.4-178.760.50000110.8I5 G6 I7 I27 M125 V128 A129I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.8Å; I5-V16 HydrophobicContact CG1-CG2 4.42Å; G6-V16 WeakPolarHBondContact O-CA 3.26Å; I7-V16 HydrophobicContact CG1-CG2 4.09Å; V16-I27 HydrophobicContact CG1-CB 4.27Å; V16-I27 PolarHBondContact O-N 3.18Å; V16-M125 HydrophobicContact CB-CB 4.2Å; V16-M125 HydrophobicContact CB-SD 4.14Å; V16-M125 HydrophobicContact CG1-CB 4.48Å; V16-M125 HydrophobicContact CG1-SD 4.04Å; V16-V128 HydrophobicContact CG1-CB 4.32Å; V16-V128 HydrophobicContact CG1-CG1 3.88Å; V16-A129 HydrophobicContact CG2-CB 4.17Å
17G97.9Very high95.2Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-133.7158.8178.100000112.7I5 G6 E25I5-G17 WeakPolarHBondContact CA-O 3.44Å; G6-G17 PolarHBondContact N-O 3.46Å; G6-G17 PolarHBondContact O-N 3.23Å; G17-E25 CarbonylContact C-O 3.52Å; G17-E25 VanDerWaalsContact CA-O 3.22Å; G17-E25 WeakPolarHBondContact CA-O 3.14Å
18V96.6Very high95.1Very high3 Ų328.9 Ų28.92%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-133.3144.1174.367.70000109.8I5 Q20 V24 E25 I27 Y132 L133I5-V18 HydrophobicContact CG2-CB 4.45Å; I5-V18 HydrophobicContact CG2-CG2 4.48Å; V18-Q20 HydrophobicContact CG1-CG 4.34Å; V18-Q20 HydrophobicContact CG2-CG 4.04Å; V18-V24 WeakPolarHBondContact O-CA 3.42Å; V18-E25 HydrophobicContact CG1-CB 4.22Å; V18-E25 PolarHBondContact N-O 3.18Å; V18-E25 PolarHBondContact O-N 3.1Å; V18-I27 HydrophobicContact CB-CD1 4.27Å; V18-I27 HydrophobicContact CG1-CD1 3.96Å; V18-I27 HydrophobicContact CG1-CG1 4.35Å; V18-Y132 HydrophobicContact CG1-CD1 4.43Å; V18-Y132 HydrophobicContact CG1-CE1 4.09Å; V18-L133 HydrophobicContact CG1-CD2 4.34Å; V18-L133 HydrophobicContact CG2-CD1 4.42Å; V18-L133 HydrophobicContact CG2-CD2 4.3Å
19F94.3Very high95Very high12 Ų1228.4 Ų28.45%0.05315%0.151CC..EExtended strand (participates in β ladder)trans-93.1117.9171.2-169.9-90000109.8G22 K23 V24 A376 C383 V386F19-G22 VanDerWaalsContact CZ-C 3.45Å; F19-K23 CarbonylContact C-O 3.5Å; F19-K23 WeakPolarHBondContact CA-O 3.41Å; F19-V24 HydrophobicContact CD2-CG2 3.78Å; F19-A376 HydrophobicContact CB-CB 3.51Å; F19-A376 HydrophobicContact CD1-CB 3.74Å; F19-A376 HydrophobicContact CD2-CB 4.36Å; F19-A376 HydrophobicContact CG-CB 3.62Å; F19-C383 HydrophobicContact CE1-CB 3.94Å; F19-C383 HydrophobicContact CZ-CB 4.06Å; F19-V386 HydrophobicContact CD2-CG1 4.44Å; F19-V386 HydrophobicContact CE2-CG1 3.67Å; F19-V386 HydrophobicContact CZ-CG1 3.71Å; F19-V386 HydrophobicContact CZ-CG2 4.45Å
20Q89.6Confident94.8Very high33 Ų3333.2 Ų33.215%0.15418%0.177CC..EExtended strand (participates in β ladder)trans-146148.1174.8-65.9-166.7-6.900111.2V18 G22 K23V18-Q20 HydrophobicContact CG1-CG 4.34Å; V18-Q20 HydrophobicContact CG2-CG 4.04Å; Q20-G22 PolarHBondContact O-N 3.41Å; Q20-K23 PolarHBondContact N-O 3.04Å; Q20-K23 WeakPolarHBondContact O-CG 3.19Å; Q20-K23 PolarHBondContact O-N 3.01Å; Q20-K23 VanDerWaalsContact O-N 3.14Å
21H87.1Confident94.7Very high173 Ų17338.3 Ų38.380%0.80120%0.199SC*.THydrogen-bonded Turntrans55.933.3177.8-46105.1000113.3K23H21-K23 VanDerWaalsContact C-N 3.31Å; H21-K23 PolarHBondContact O-N 2.9Å
22G86.5Confident94.9Very high33 Ų3340.7 Ų40.734%0.3422%0.224SC..THydrogen-bonded Turntrans76.910.7178.400000115.2F19 Q20F19-G22 VanDerWaalsContact CZ-C 3.45Å; Q20-G22 PolarHBondContact O-N 3.41Å
23K90.9Very high95Very high109 Ų10943.6 Ų43.647%0.47424%0.239SC..EExtended strand (participates in β ladder)trans-139.1161.117756.4171.7171.8156.60111.4F19 Q20 H21 E25F19-K23 CarbonylContact C-O 3.5Å; F19-K23 WeakPolarHBondContact CA-O 3.41Å; Q20-K23 PolarHBondContact N-O 3.04Å; Q20-K23 WeakPolarHBondContact O-CG 3.19Å; Q20-K23 PolarHBondContact O-N 3.01Å; Q20-K23 VanDerWaalsContact O-N 3.14Å; H21-K23 VanDerWaalsContact C-N 3.31Å; H21-K23 PolarHBondContact O-N 2.9Å; K23-E25 VanDerWaalsContact CD-OE1 3.31Å; K23-E25 WeakPolarHBondContact CD-OE1 3.3Å; K23-E25 WeakPolarHBondContact CE-OE1 3.4Å; K23-E25 IonicContact NZ-OE1 3.88Å; K23-E25 PolarHBondContact NZ-OE1 2.94Å
24V94.2Very high95Very high12 Ų1247.4 Ų47.47%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-87.2135.3169.5177.90000109.9V18 F19 I26 Y369 A372 V373V18-V24 WeakPolarHBondContact O-CA 3.42Å; F19-V24 HydrophobicContact CD2-CG2 3.78Å; V24-I26 HydrophobicContact CG1-CD1 4.16Å; V24-Y369 HydrophobicContact CB-CD1 4.18Å; V24-Y369 HydrophobicContact CB-CD2 3.69Å; V24-Y369 HydrophobicContact CB-CE1 3.95Å; V24-Y369 HydrophobicContact CB-CE2 3.48Å; V24-Y369 VanDerWaalsContact CB-CE2 3.48Å; V24-Y369 HydrophobicContact CB-CG 4.03Å; V24-Y369 HydrophobicContact CG1-CD1 4.39Å; V24-Y369 HydrophobicContact CG1-CD2 3.67Å; V24-Y369 HydrophobicContact CG1-CE2 4.02Å; V24-Y369 HydrophobicContact CG1-CG 3.88Å; V24-Y369 HydrophobicContact CG2-CD1 3.83Å; V24-Y369 HydrophobicContact CG2-CD2 4.26Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 4.06Å; V24-Y369 HydrophobicContact CG2-CG 4.16Å; V24-A372 HydrophobicContact CG1-CB 3.79Å; V24-A372 HydrophobicContact CG2-CB 4.28Å; V24-V373 HydrophobicContact CG2-CG2 3.53Å
25E95.5Very high94.9Very high53 Ų5349.2 Ų49.225%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-112.8121.4169.8-66.2-65.4166.600108.9G17 V18 K23G17-E25 CarbonylContact C-O 3.52Å; G17-E25 VanDerWaalsContact CA-O 3.22Å; G17-E25 WeakPolarHBondContact CA-O 3.14Å; V18-E25 HydrophobicContact CG1-CB 4.22Å; V18-E25 PolarHBondContact N-O 3.18Å; V18-E25 PolarHBondContact O-N 3.1Å; K23-E25 VanDerWaalsContact CD-OE1 3.31Å; K23-E25 WeakPolarHBondContact CD-OE1 3.3Å; K23-E25 WeakPolarHBondContact CE-OE1 3.4Å; K23-E25 IonicContact NZ-OE1 3.88Å; K23-E25 PolarHBondContact NZ-OE1 2.94Å
26I97.8Very high94.9Very high18 Ų1849.3 Ų49.39%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-85.6125.5170.6-58.6-61.1000108.2C15 V24 R34 E365 A368C15-I26 VanDerWaalsContact SG-CG2 3.57Å; V24-I26 HydrophobicContact CG1-CD1 4.16Å; I26-R34 HydrophobicContact CG2-CB 3.97Å; I26-R34 HydrophobicContact CG2-CG 4.25Å; I26-E365 HydrophobicContact CD1-CB 4.49Å; I26-E365 HydrophobicContact CG1-CB 4.19Å; I26-E365 HydrophobicContact CG1-CG 4.48Å; I26-E365 HydrophobicContact CG2-CG 4.22Å; I26-A368 HydrophobicContact CD1-CB 4.22Å
27I97.9Very high94.9Very high6 Ų649.2 Ų49.23%0.03126%0.264CS..PPolyproline II helixtrans-93.8125.1-167.3-51176.2000109.4V16 V18 V128 A129 Y132V16-I27 HydrophobicContact CG1-CB 4.27Å; V16-I27 PolarHBondContact O-N 3.18Å; V18-I27 HydrophobicContact CB-CD1 4.27Å; V18-I27 HydrophobicContact CG1-CD1 3.96Å; V18-I27 HydrophobicContact CG1-CG1 4.35Å; I27-V128 HydrophobicContact CB-CG1 4.17Å; I27-V128 HydrophobicContact CG2-CG1 3.63Å; I27-A129 HydrophobicContact CD1-CB 3.87Å; I27-Y132 HydrophobicContact CD1-CD1 3.84Å; I27-Y132 HydrophobicContact CD1-CG 4.19Å; I27-Y132 HydrophobicContact CG1-CD1 4.09Å; I27-Y132 HydrophobicContact CG1-CG 4.25Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.44Å; I27-Y132 HydrophobicContact CG2-CD2 4.09Å; I27-Y132 HydrophobicContact CG2-CG 3.77Å
28A97.8Very high94.9Very high46 Ų4649.7 Ų49.738%0.3827%0.267SS..PPolyproline II helixtrans-71.7141.6172.100000110.9N33 R34 V128A28-N33 CarbonylContact C-O 3.52Å; A28-N33 WeakPolarHBondContact CA-O 3.24Å; A28-R34 HydrophobicContact CB-CG 4.49Å; A28-V128 WeakPolarHBondContact O-CG1 3.42Å
29N96.8Very high95Very high11 Ų1149.6 Ų49.66%0.05927%0.267CS..  trans-75-177.1174.574.311.6000112.1Q31 G32 N33 T36 D51 V128N29-Q31 PolarHBondContact O-N 2.87Å; N29-Q31 VanDerWaalsContact O-N 3.08Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.13Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.2Å; N29-Q31 PolarHBondContact OD1-N 3.05Å; N29-G32 PolarHBondContact O-N 3.3Å; N29-G32 PolarHBondContact OD1-N 3.07Å; N29-N33 VanDerWaalsContact CG-O 3.3Å; N29-N33 PolarHBondContact N-O 3.47Å; N29-N33 PolarHBondContact OD1-N 3.43Å; N29-N33 PolarHBondContact OD1-O 2.85Å; N29-T36 WeakPolarHBondContact CB-OG1 3.37Å; N29-T36 PolarHBondContact ND2-OG1 2.97Å; N29-D51 PolarHBondContact ND2-OD2 3.46Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.85Å
30D92.5Very high95.2Very high104 Ų10449.1 Ų49.156%0.55627%0.265SS*.THydrogen-bonded Turntrans-64.3-11.8-178.357.1-71.6000114.7K124D30-K124 VanDerWaalsContact OD1-CE 3.25Å; D30-K124 WeakPolarHBondContact OD1-CE 3.48Å; D30-K124 IonicContact OD1-NZ 3.05Å; D30-K124 PolarHBondContact OD1-NZ 3.36Å; D30-K124 IonicContact OD2-NZ 3.16Å
31Q93.5Very high95.6Very high117 Ų11747.5 Ų47.555%0.54726%0.257SS..THydrogen-bonded Turntrans-101.75.7173.8-56.5-58.4-58.400112.8N29 N33 D51N29-Q31 PolarHBondContact O-N 2.87Å; N29-Q31 VanDerWaalsContact O-N 3.08Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.13Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.2Å; N29-Q31 PolarHBondContact OD1-N 3.05Å; Q31-N33 VanDerWaalsContact C-N 3.31Å; Q31-N33 PolarHBondContact O-N 3.29Å; Q31-D51 HydrophobicContact CG-CB 3.93Å
32G95.7Very high96.1Very high55 Ų5539.3 Ų39.357%0.56722%0.219SC*.SBendtrans81.63.1-178.200000114.6N29N29-G32 PolarHBondContact O-N 3.3Å; N29-G32 PolarHBondContact OD1-N 3.07Å
33N97.3Very high96.5Very high72 Ų7238.8 Ų38.839%0.38521%0.21SC..  trans-87.8133.6179.9-61.8-49.5000111.1A28 N29 Q31 T35A28-N33 CarbonylContact C-O 3.52Å; A28-N33 WeakPolarHBondContact CA-O 3.24Å; N29-N33 VanDerWaalsContact CG-O 3.3Å; N29-N33 PolarHBondContact N-O 3.47Å; N29-N33 PolarHBondContact OD1-N 3.43Å; N29-N33 PolarHBondContact OD1-O 2.85Å; Q31-N33 VanDerWaalsContact C-N 3.31Å; Q31-N33 PolarHBondContact O-N 3.29Å; N33-T35 WeakPolarHBondContact CB-O 3.43Å; N33-T35 PolarHBondContact O-N 3.45Å
34R97.4Very high96.5Very high134 Ų13439.6 Ų39.651%0.50622%0.219SC..SBendtrans-74.1-12.7174.6-70.4-177179.6-176.91114.5C15 I26 A28 E365C15-R34 PolarHBondContact SG-O 2.96Å; C15-R34 VanDerWaalsContact SG-O 3.33Å; I26-R34 HydrophobicContact CG2-CB 3.97Å; I26-R34 HydrophobicContact CG2-CG 4.25Å; A28-R34 HydrophobicContact CB-CG 4.49Å; R34-E365 WeakPolarHBondContact CD-OE1 3.36Å; R34-E365 IonicContact NH1-OE1 2.91Å; R34-E365 PolarHBondContact NH1-OE1 3.21Å; R34-E365 IonicContact NH1-OE2 2.73Å
35T97.5Very high96.3Very high38 Ų3841.7 Ų41.723%0.23323%0.234CC..SBendtrans-122.5143.1172.257.90000108.8C15 N33 D364C15-T35 HydrophobicContact CB-CG2 4.36Å; N33-T35 WeakPolarHBondContact CB-O 3.43Å; N33-T35 PolarHBondContact O-N 3.45Å; T35-D364 HydrophobicContact CG2-CB 4.31Å
36T98.3Very high96.1Very high5 Ų542 Ų423%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-117.8128.2-177.8-62.30000109.2Y13 S14 N29 S38 K124 M125Y13-T36 CarbonylContact C-O 3.6Å; Y13-T36 VanDerWaalsContact CA-O 3.29Å; Y13-T36 WeakPolarHBondContact CA-O 3.46Å; S14-T36 PolarHBondContact N-O 2.81Å; S14-T36 PolarHBondContact O-N 3.16Å; N29-T36 WeakPolarHBondContact CB-OG1 3.37Å; N29-T36 PolarHBondContact ND2-OG1 2.97Å; T36-S38 PolarHBondContact O-N 3.02Å; T36-K124 HydrophobicContact CG2-CG 4.39Å; T36-M125 HydrophobicContact CG2-CE 3.64Å; T36-M125 WeakPolarHBondContact OG1-CE 3.15Å
37P97.9Very high95.9Very high0 Ų042.3 Ų42.30%024%0.236CC..EExtended strand (participates in β ladder)trans-52.8134.4176.2-26.333.3000112.6T12 Y13 Y39 G50 D51 K54T12-P37 WeakPolarHBondContact O-CA 3.44Å; Y13-P37 HydrophobicContact CD1-CB 4.49Å; Y13-P37 HydrophobicContact CD1-CG 4.2Å; Y13-P37 HydrophobicContact CE1-CB 4.3Å; Y13-P37 HydrophobicContact CE1-CG 3.75Å; P37-Y39 HydrophobicContact CB-CD2 3.77Å; P37-Y39 HydrophobicContact CB-CG 4.3Å; P37-Y39 PolarHBondContact O-N 3.05Å; P37-G50 VanDerWaalsContact O-CA 3.28Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; P37-D51 WeakPolarHBondContact CD-OD1 3.45Å; P37-D51 WeakPolarHBondContact CG-OD1 3.42Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.89Å; P37-K54 HydrophobicContact CG-CB 4.04Å; P37-K54 HydrophobicContact CG-CD 3.72Å; P37-K54 HydrophobicContact CG-CG 4.47Å
38S98Very high95.9Very high10 Ų1044 Ų447%0.0724%0.244CC..  trans-79.354175-59.60000111.2G10 T11 T12 S14 T36G10-S38 WeakPolarHBondContact O-CB 3.47Å; G10-S38 PolarHBondContact O-OG 3.42Å; T11-S38 WeakPolarHBondContact O-CB 3.36Å; T12-S38 PolarHBondContact O-N 3.14Å; S14-S38 PolarHBondContact N-OG 3.35Å; S14-S38 PolarHBondContact OG-OG 2.84Å; T36-S38 PolarHBondContact O-N 3.02Å
39Y98.3Very high95.8Very high1 Ų143.1 Ų43.10%0.00423%0.233CC..  trans-116.2137.1-175.1-79.2-121.3000109.5P37 I49 G50 A53 K54 V57 T64 V65 F66 R259P37-Y39 HydrophobicContact CB-CD2 3.77Å; P37-Y39 HydrophobicContact CB-CG 4.3Å; P37-Y39 PolarHBondContact O-N 3.05Å; Y39-I49 WeakPolarHBondContact O-CA 3.37Å; Y39-G50 PolarHBondContact O-N 3.38Å; Y39-A53 WeakPolarHBondContact O-CB 3.5Å; Y39-K54 HydrophobicContact CD1-CB 4.18Å; Y39-K54 HydrophobicContact CE1-CG 4.47Å; Y39-K54 HydrophobicContact CG-CB 4.19Å; Y39-V57 HydrophobicContact CD1-CG2 4.5Å; Y39-V57 HydrophobicContact CE1-CG2 4.2Å; Y39-T64 HydrophobicContact CD1-CG2 3.92Å; Y39-V65 WeakPolarHBondContact CA-O 3.29Å; Y39-F66 HydrophobicContact CD1-CB 3.83Å; Y39-F66 HydrophobicContact CD1-CD1 4.46Å; Y39-F66 HydrophobicContact CD1-CG 4.44Å; Y39-F66 HydrophobicContact CD2-CB 3.88Å; Y39-F66 HydrophobicContact CE1-CB 3.63Å; Y39-F66 AromaticContact CE1-CD1 3.94Å; Y39-F66 HydrophobicContact CE1-CD1 3.94Å; Y39-F66 AromaticContact CE1-CG 3.86Å; Y39-F66 HydrophobicContact CE1-CG 3.86Å; Y39-F66 HydrophobicContact CE2-CB 3.66Å; Y39-F66 HydrophobicContact CE2-CG 4.43Å; Y39-F66 HydrophobicContact CG-CB 3.94Å; Y39-F66 AromaticContact CZ-CG 3.83Å; Y39-R259 PolarHBondContact OH-NH1 3.32Å; Y39-R259 PolarHBondContact OH-NH2 3.5Å
40V98.4Very high95.9Very high1 Ų142.6 Ų42.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-129.9118.3174.4-1780000108.3F42 L48 I49 T64 V65 I117 M120 V121V40-F42 HydrophobicContact CB-CE2 4.48Å; V40-F42 HydrophobicContact CG1-CD2 4.45Å; V40-F42 HydrophobicContact CG1-CE1 4.44Å; V40-F42 HydrophobicContact CG1-CE2 3.69Å; V40-F42 HydrophobicContact CG1-CZ 3.68Å; V40-L48 CarbonylContact C-O 3.57Å; V40-L48 WeakPolarHBondContact CA-O 3.49Å; V40-I49 HydrophobicContact CG1-CG1 4.42Å; V40-I49 HydrophobicContact CG2-CG1 4.5Å; V40-I49 HydrophobicContact CG2-CG2 4.4Å; V40-T64 CarbonylContact O-C 3.57Å; V40-T64 WeakPolarHBondContact O-CA 3.48Å; V40-V65 PolarHBondContact N-O 3.25Å; V40-V65 PolarHBondContact O-N 3.25Å; V40-I117 HydrophobicContact CB-CG2 4.21Å; V40-I117 HydrophobicContact CG2-CG2 3.88Å; V40-M120 HydrophobicContact CG1-CB 4.42Å; V40-M120 HydrophobicContact CG1-SD 3.64Å; V40-M120 HydrophobicContact CG2-CB 4.08Å; V40-V121 HydrophobicContact CG2-CG2 3.86Å
41A98.2Very high96.1Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-111.7139.6177.500000111.7R47 L48 A53 N63 T64A41-R47 CarbonylContact O-C 3.58Å; A41-R47 WeakPolarHBondContact O-CA 3.31Å; A41-L48 HydrophobicContact CB-CB 4.26Å; A41-L48 PolarHBondContact N-O 3.35Å; A41-L48 PolarHBondContact O-N 3.05Å; A41-A53 HydrophobicContact CB-CB 3.8Å; A41-N63 WeakPolarHBondContact CA-O 3.33Å; A41-T64 HydrophobicContact CB-CG2 3.98Å
42F97.9Very high96.2Very high0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans-111.6121.2175.9-58.9-91.4000108.1V40 R47 N60 N63 V65 V103 Y105 F112 I117 M120V40-F42 HydrophobicContact CB-CE2 4.48Å; V40-F42 HydrophobicContact CG1-CD2 4.45Å; V40-F42 HydrophobicContact CG1-CE1 4.44Å; V40-F42 HydrophobicContact CG1-CE2 3.69Å; V40-F42 HydrophobicContact CG1-CZ 3.68Å; F42-R47 HydrophobicContact CD1-CG 3.93Å; F42-R47 HydrophobicContact CE1-CG 4.14Å; F42-N60 PolarHBondContact O-ND2 3.05Å; F42-N63 HydrophobicContact CB-CB 4.37Å; F42-N63 PolarHBondContact N-O 2.69Å; F42-N63 VanDerWaalsContact O-CB 3.31Å; F42-N63 WeakPolarHBondContact O-CB 3.44Å; F42-V65 HydrophobicContact CE2-CG2 4.14Å; F42-V103 HydrophobicContact CB-CG2 4.3Å; F42-V103 HydrophobicContact CD1-CG2 4.31Å; F42-V103 HydrophobicContact CD2-CB 4Å; F42-V103 HydrophobicContact CD2-CG1 3.95Å; F42-V103 HydrophobicContact CD2-CG2 3.65Å; F42-V103 HydrophobicContact CE2-CG1 4.28Å; F42-V103 HydrophobicContact CE2-CG2 3.99Å; F42-V103 HydrophobicContact CG-CB 4.38Å; F42-V103 HydrophobicContact CG-CG2 3.82Å; F42-V103 HydrophobicContact CZ-CG2 4.45Å; F42-Y105 HydrophobicContact CB-CD2 3.88Å; F42-Y105 HydrophobicContact CB-CG 4.21Å; F42-Y105 HydrophobicContact CD1-CD1 4.41Å; F42-Y105 AromaticContact CD1-CD2 4Å; F42-Y105 HydrophobicContact CD1-CD2 4Å; F42-Y105 AromaticContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CG-CD2 4.46Å; F42-F112 AromaticContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CZ 4.29Å; F42-F112 HydrophobicContact CE1-CD2 4.09Å; F42-F112 HydrophobicContact CE1-CE1 4.41Å; F42-F112 AromaticContact CE1-CE2 3.35Å; F42-F112 HydrophobicContact CE1-CE2 3.35Å; F42-F112 AromaticContact CE1-CZ 3.55Å; F42-F112 HydrophobicContact CE1-CZ 3.55Å; F42-F112 HydrophobicContact CE2-CD2 4.26Å; F42-F112 HydrophobicContact CE2-CE2 4.21Å; F42-F112 AromaticContact CZ-CD2 3.74Å; F42-F112 HydrophobicContact CZ-CD2 3.74Å; F42-F112 AromaticContact CZ-CE2 3.5Å; F42-F112 HydrophobicContact CZ-CE2 3.5Å; F42-F112 VanDerWaalsContact CZ-CE2 3.5Å; F42-F112 HydrophobicContact CZ-CG 4.42Å; F42-F112 HydrophobicContact CZ-CZ 4.01Å; F42-I117 HydrophobicContact CE2-CD1 3.77Å; F42-I117 HydrophobicContact CZ-CD1 3.65Å; F42-M120 HydrophobicContact CE1-CE 4.22Å; F42-M120 HydrophobicContact CE1-SD 4.15Å; F42-M120 HydrophobicContact CZ-CE 4.02Å; F42-M120 HydrophobicContact CZ-SD 3.82Å
43T94.8Very high96.3Very high23 Ų2332.2 Ų32.214%0.14117%0.173CC..  trans-111.9-179.1178.277.30000110.4S45 E46 L48 Y105 K106T43-S45 PolarHBondContact O-N 2.8Å; T43-S45 PolarHBondContact OG1-N 2.97Å; T43-S45 PolarHBondContact OG1-OG 3.48Å; T43-E46 PolarHBondContact N-O 3.13Å; T43-E46 PolarHBondContact OG1-N 3.25Å; T43-E46 PolarHBondContact OG1-O 2.97Å; T43-L48 HydrophobicContact CG2-CD1 4.17Å; T43-Y105 WeakPolarHBondContact O-CD2 3.44Å; T43-K106 PolarHBondContact O-N 3.04Å; T43-K106 VanDerWaalsContact O-N 3.14Å
44D91.6Very high96.2Very high126 Ų12630.2 Ų30.267%0.67416%0.161SC*.SBendtrans-69.1-13.6175.3-62.2-31.3000113.1
45S88.6Confident96.1Very high55 Ų5529.9 Ų29.939%0.38517%0.169SC..SBendtrans-122.7-35.6-174.458.80000113.7T43 K106T43-S45 PolarHBondContact O-N 2.8Å; T43-S45 PolarHBondContact OG1-N 2.97Å; T43-S45 PolarHBondContact OG1-OG 3.48Å; S45-K106 VanDerWaalsContact O-CE 3.29Å; S45-K106 WeakPolarHBondContact O-CE 3.4Å
46E92.2Very high96Very high59 Ų5929.8 Ų29.828%0.27617%0.166SC..  trans-152.9167.3-16774.2-168146.200113.4T43 L48 Y105 Q530T43-E46 PolarHBondContact N-O 3.13Å; T43-E46 PolarHBondContact OG1-N 3.25Å; T43-E46 PolarHBondContact OG1-O 2.97Å; E46-L48 HydrophobicContact CG-CD2 3.9Å; E46-L48 HydrophobicContact CG-CG 4.18Å; E46-Y105 WeakPolarHBondContact O-CE2 3.17Å; E46-Q530 HydrophobicContact CB-CG 3.94Å
47R94.5Very high95.8Very high26 Ų2629.8 Ų29.810%0.09817%0.166CC..EExtended strand (participates in β ladder)trans-99.6135.8167.4-58.7-175.6-56.4163.84.5108.6A41 F42 Y105 M120 D527A41-R47 CarbonylContact O-C 3.58Å; A41-R47 WeakPolarHBondContact O-CA 3.31Å; F42-R47 HydrophobicContact CD1-CG 3.93Å; F42-R47 HydrophobicContact CE1-CG 4.14Å; R47-Y105 HydrophobicContact CG-CD2 4.39Å; R47-Y105 HydrophobicContact CG-CE1 4.24Å; R47-Y105 HydrophobicContact CG-CE2 3.7Å; R47-M120 PolarHBondContact NH1-SD 3.43Å; R47-D527 IonicContact CZ-OD2 2.67Å; R47-D527 IonicContact NE-OD1 2.89Å; R47-D527 IonicContact NE-OD2 3.58Å; R47-D527 PolarHBondContact NE-OD2 3.38Å; R47-D527 IonicContact NH2-OD2 3.79Å; R47-D527 PolarHBondContact NH2-OD2 2.9Å
48L96.2Very high95.5Very high41 Ų4131.1 Ų31.122%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-112.9140.6172.4-56.1170.6000108V40 A41 T43 E46 A53 Q56V40-L48 CarbonylContact C-O 3.57Å; V40-L48 WeakPolarHBondContact CA-O 3.49Å; A41-L48 HydrophobicContact CB-CB 4.26Å; A41-L48 PolarHBondContact N-O 3.35Å; A41-L48 PolarHBondContact O-N 3.05Å; T43-L48 HydrophobicContact CG2-CD1 4.17Å; E46-L48 HydrophobicContact CG-CD2 3.9Å; E46-L48 HydrophobicContact CG-CG 4.18Å; L48-A53 HydrophobicContact CB-CB 4.2Å; L48-A53 WeakPolarHBondContact O-CB 3.34Å; L48-Q56 HydrophobicContact CD1-CG 3.76Å
49I97.4Very high95.3Very high28 Ų2838.1 Ų38.114%0.14421%0.21CC..EExtended strand (participates in β ladder)trans-132.7141.4179.3-54.1163.9000107.8Y39 V40 M120 K124Y39-I49 WeakPolarHBondContact O-CA 3.37Å; V40-I49 HydrophobicContact CG1-CG1 4.42Å; V40-I49 HydrophobicContact CG2-CG1 4.5Å; V40-I49 HydrophobicContact CG2-CG2 4.4Å; I49-M120 HydrophobicContact CD1-CB 3.95Å; I49-K124 HydrophobicContact CB-CB 4.26Å; I49-K124 HydrophobicContact CB-CG 4.39Å; I49-K124 HydrophobicContact CG2-CB 3.62Å; I49-K124 HydrophobicContact CG2-CG 3.96Å
50G97.6Very high95.2Very high0 Ų039.2 Ų39.20%022%0.216CC..THydrogen-bonded Turntrans80.7-136.8178.700000113.5P37 Y39 G52 A53 K54P37-G50 VanDerWaalsContact O-CA 3.28Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; Y39-G50 PolarHBondContact O-N 3.38Å; G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.38Å; G50-A53 WeakPolarHBondContact O-CB 3.28Å; G50-A53 PolarHBondContact O-N 3.27Å; G50-A53 VanDerWaalsContact O-N 3.13Å; G50-K54 PolarHBondContact O-N 3.42Å
51D97.2Very high95.1Very high24 Ų2439.7 Ų39.713%0.12822%0.22CC..Hα-helixtrans-58.7-41.1-177.6-68.2-67.1000112.2N29 Q31 P37 A53 K54 N55N29-D51 PolarHBondContact ND2-OD2 3.46Å; Q31-D51 HydrophobicContact CG-CB 3.93Å; P37-D51 WeakPolarHBondContact CD-OD1 3.45Å; P37-D51 WeakPolarHBondContact CG-OD1 3.42Å; D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.07Å; D51-K54 PolarHBondContact O-N 3.4Å; D51-N55 WeakPolarHBondContact O-CB 3.47Å; D51-N55 PolarHBondContact O-N 3.36Å; D51-N55 PolarHBondContact O-ND2 2.89Å; D51-N55 PolarHBondContact O-OD1 2.99Å
52G95.1Very high95Very high33 Ų3342.1 Ų42.134%0.3424%0.235SC..Hα-helixtrans-57-43.3175.400000112.5G50 Q56G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.38Å; G52-Q56 WeakPolarHBondContact O-CG 3.48Å
53A97.6Very high95Very high0 Ų043.4 Ų43.40%024%0.241CC..Hα-helixtrans-67.7-45.4176.600000112Y39 A41 L48 G50 D51 N55 Q56 V57Y39-A53 WeakPolarHBondContact O-CB 3.5Å; A41-A53 HydrophobicContact CB-CB 3.8Å; L48-A53 HydrophobicContact CB-CB 4.2Å; L48-A53 WeakPolarHBondContact O-CB 3.34Å; G50-A53 WeakPolarHBondContact O-CB 3.28Å; G50-A53 PolarHBondContact O-N 3.27Å; G50-A53 VanDerWaalsContact O-N 3.13Å; D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.07Å; A53-N55 VanDerWaalsContact C-N 3.35Å; A53-N55 PolarHBondContact O-N 2.82Å; A53-Q56 PolarHBondContact O-N 3.31Å; A53-Q56 PolarHBondContact O-NE2 2.93Å; A53-Q56 VanDerWaalsContact O-NE2 3.08Å; A53-V57 PolarHBondContact O-N 3.13Å
54K96.5Very high95.1Very high31 Ų3142.3 Ų42.314%0.13524%0.235CC..Hα-helixtrans-62.9-39.3179.6-176.8166.5179.6156.30111.8Y13 P37 Y39 G50 D51 Q56 V57 E266Y13-K54 PolarHBondContact OH-NZ 3.2Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.89Å; P37-K54 HydrophobicContact CG-CB 4.04Å; P37-K54 HydrophobicContact CG-CD 3.72Å; P37-K54 HydrophobicContact CG-CG 4.47Å; Y39-K54 HydrophobicContact CD1-CB 4.18Å; Y39-K54 HydrophobicContact CE1-CG 4.47Å; Y39-K54 HydrophobicContact CG-CB 4.19Å; G50-K54 PolarHBondContact O-N 3.42Å; D51-K54 PolarHBondContact O-N 3.4Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.44Å; K54-V57 WeakPolarHBondContact O-CB 3.38Å; K54-V57 WeakPolarHBondContact O-CG1 3.34Å; K54-V57 PolarHBondContact O-N 3.18Å; K54-E266 IonicContact NZ-OE1 3.49Å; K54-E266 PolarHBondContact NZ-OE1 3.32Å; K54-E266 IonicContact NZ-OE2 2.95Å; K54-E266 PolarHBondContact NZ-OE2 2.9Å
55N95.1Very high95.4Very high127 Ų12736.3 Ų36.368%0.67920%0.202SC*.Hα-helixtrans-64.6-36.5-177.2-72.5-17.5000113D51 A53D51-N55 WeakPolarHBondContact O-CB 3.47Å; D51-N55 PolarHBondContact O-N 3.36Å; D51-N55 PolarHBondContact O-ND2 2.89Å; D51-N55 PolarHBondContact O-OD1 2.99Å; A53-N55 VanDerWaalsContact C-N 3.35Å; A53-N55 PolarHBondContact O-N 2.82Å
56Q94.4Very high95.8Very high36 Ų3633.8 Ų33.817%0.16819%0.185CC..Hα-helixtrans-94.90.3-178.165.779.366.100114.6L48 G52 A53 K54 A58 M59 N60 T64L48-Q56 HydrophobicContact CD1-CG 3.76Å; G52-Q56 WeakPolarHBondContact O-CG 3.48Å; A53-Q56 PolarHBondContact O-N 3.31Å; A53-Q56 PolarHBondContact O-NE2 2.93Å; A53-Q56 VanDerWaalsContact O-NE2 3.08Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.44Å; Q56-A58 PolarHBondContact O-N 3.42Å; Q56-M59 PolarHBondContact O-N 2.91Å; Q56-N60 PolarHBondContact O-N 3.31Å; Q56-N60 VanDerWaalsContact O-N 3.1Å; Q56-N60 PolarHBondContact OE1-ND2 3.41Å; Q56-T64 PolarHBondContact NE2-OG1 3.49Å
57V95.2Very high95.8Very high5 Ų531.2 Ų31.23%0.0317%0.173CC..THydrogen-bonded Turntrans-54.8-30.7-17572.80000113.7Y39 A53 K54 M59 N60 P61 T64 R259Y39-V57 HydrophobicContact CD1-CG2 4.5Å; Y39-V57 HydrophobicContact CE1-CG2 4.2Å; A53-V57 PolarHBondContact O-N 3.13Å; K54-V57 WeakPolarHBondContact O-CB 3.38Å; K54-V57 WeakPolarHBondContact O-CG1 3.34Å; K54-V57 PolarHBondContact O-N 3.18Å; V57-M59 VanDerWaalsContact C-N 3.33Å; V57-N60 CarbonylContact O-C 3.6Å; V57-P61 WeakPolarHBondContact O-CA 3.49Å; V57-P61 WeakPolarHBondContact O-CB 3.38Å; V57-P61 WeakPolarHBondContact O-CD 3.4Å; V57-P61 VanDerWaalsContact O-N 3.1Å; V57-T64 HydrophobicContact CB-CG2 4.02Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; V57-R259 HydrophobicContact CB-CG 4.49Å; V57-R259 HydrophobicContact CG1-CG 3.97Å; V57-R259 HydrophobicContact CG2-CG 3.93Å
58A91.4Very high95.8Very high27 Ų2730.3 Ų30.322%0.22317%0.171CC..THydrogen-bonded Turntrans-72-27.4178.700000113Q56 R256 R260Q56-A58 PolarHBondContact O-N 3.42Å; A58-R256 WeakPolarHBondContact O-CG 3.4Å; A58-R260 HydrophobicContact CB-CG 3.92Å
59M93.5Very high95.7Very high157 Ų15728.9 Ų28.977%0.77316%0.163SC*.THydrogen-bonded Turntrans-89.6-29.3178.2-67.3-178.764.800112Q56 V57Q56-M59 PolarHBondContact O-N 2.91Å; V57-M59 VanDerWaalsContact C-N 3.33Å
60N95.7Very high95.5Very high24 Ų2428 Ų2813%0.12816%0.158CC..SBendtrans-128.352.9-177.7-169.718.2000112.9F42 Q56 V57 T62 N63 T64F42-N60 PolarHBondContact O-ND2 3.05Å; Q56-N60 PolarHBondContact O-N 3.31Å; Q56-N60 VanDerWaalsContact O-N 3.1Å; Q56-N60 PolarHBondContact OE1-ND2 3.41Å; V57-N60 CarbonylContact O-C 3.6Å; N60-T62 VanDerWaalsContact C-N 3.3Å; N60-T62 PolarHBondContact O-N 3.45Å; N60-N63 PolarHBondContact O-N 3.48Å; N60-N63 VanDerWaalsContact OD1-CB 3.28Å; N60-N63 WeakPolarHBondContact OD1-CB 3.49Å; N60-N63 PolarHBondContact OD1-ND2 3Å; N60-T64 WeakPolarHBondContact O-CB 3.32Å; N60-T64 PolarHBondContact O-N 3.33Å; N60-T64 PolarHBondContact O-OG1 2.96Å
61P95.5Very high95.3Very high12 Ų1228.1 Ų28.18%0.07816%0.158CC..G310 helixtrans-65.1-33.8-170.426.1-35.2000112.6V57 N63 P89 K255 R259V57-P61 WeakPolarHBondContact O-CA 3.49Å; V57-P61 WeakPolarHBondContact O-CB 3.38Å; V57-P61 WeakPolarHBondContact O-CD 3.4Å; V57-P61 VanDerWaalsContact O-N 3.1Å; P61-N63 VanDerWaalsContact C-N 3.33Å; P61-N63 PolarHBondContact O-N 2.91Å; P61-P89 HydrophobicContact CB-CB 3.85Å; P61-P89 HydrophobicContact CB-CG 4.13Å; P61-P89 WeakPolarHBondContact O-CB 3.43Å; P61-P89 WeakPolarHBondContact O-CG 3.42Å; P61-K255 HydrophobicContact CG-CB 4.21Å; P61-R259 HydrophobicContact CB-CB 4.29Å; P61-R259 HydrophobicContact CB-CG 4.48Å
62T96.2Very high95Very high51 Ų5127 Ų2731%0.31315%0.152SC..G310 helixtrans-73.2-23.4-176.846.20000114.1N60 F90 K255N60-T62 VanDerWaalsContact C-N 3.3Å; N60-T62 PolarHBondContact O-N 3.45Å; T62-F90 VanDerWaalsContact O-CB 3.24Å; T62-F90 WeakPolarHBondContact O-CB 3.48Å; T62-K255 HydrophobicContact CG2-CD 3.43Å; T62-K255 VanDerWaalsContact CG2-CD 3.43Å
63N97.7Very high94.7Very high26 Ų2626.4 Ų26.414%0.13915%0.147CC..G310 helixtrans-113.516.8179.9-46.9-53.1000111.9A41 F42 N60 P61 V103 E104A41-N63 WeakPolarHBondContact CA-O 3.33Å; F42-N63 HydrophobicContact CB-CB 4.37Å; F42-N63 PolarHBondContact N-O 2.69Å; F42-N63 VanDerWaalsContact O-CB 3.31Å; F42-N63 WeakPolarHBondContact O-CB 3.44Å; N60-N63 PolarHBondContact O-N 3.48Å; N60-N63 VanDerWaalsContact OD1-CB 3.28Å; N60-N63 WeakPolarHBondContact OD1-CB 3.49Å; N60-N63 PolarHBondContact OD1-ND2 3Å; P61-N63 VanDerWaalsContact C-N 3.33Å; P61-N63 PolarHBondContact O-N 2.91Å; N63-V103 HydrophobicContact CB-CB 4.34Å; N63-E104 PolarHBondContact OD1-N 2.95Å
64T98.1Very high94.3Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-113.7106.5173.1-53.70000109.2Y39 V40 A41 Q56 V57 N60 F90Y39-T64 HydrophobicContact CD1-CG2 3.92Å; V40-T64 CarbonylContact O-C 3.57Å; V40-T64 WeakPolarHBondContact O-CA 3.48Å; A41-T64 HydrophobicContact CB-CG2 3.98Å; Q56-T64 PolarHBondContact NE2-OG1 3.49Å; V57-T64 HydrophobicContact CB-CG2 4.02Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; N60-T64 WeakPolarHBondContact O-CB 3.32Å; N60-T64 PolarHBondContact O-N 3.33Å; N60-T64 PolarHBondContact O-OG1 2.96Å; T64-F90 WeakPolarHBondContact O-CD1 3.17Å
65V98.1Very high93.9Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-88.1133.7-179-170.70000109.4Y39 V40 F42 F90 I101 V103 I117Y39-V65 WeakPolarHBondContact CA-O 3.29Å; V40-V65 PolarHBondContact N-O 3.25Å; V40-V65 PolarHBondContact O-N 3.25Å; F42-V65 HydrophobicContact CE2-CG2 4.14Å; V65-F90 HydrophobicContact CG1-CE1 4.28Å; V65-F90 HydrophobicContact CG1-CE2 4.31Å; V65-F90 HydrophobicContact CG1-CZ 4.08Å; V65-I101 HydrophobicContact CG1-CD1 4.03Å; V65-I101 HydrophobicContact CG1-CG2 4.08Å; V65-I101 HydrophobicContact CG2-CG2 3.64Å; V65-V103 HydrophobicContact CG2-CG1 3.75Å; V65-I117 HydrophobicContact CB-CG2 4.25Å; V65-I117 HydrophobicContact CG1-CG1 4.28Å; V65-I117 HydrophobicContact CG1-CG2 3.88Å; V65-I117 HydrophobicContact CG2-CD1 4.29Å
66F95.7Very high93.7Very high2 Ų228 Ų281%0.00914%0.143CC..  trans-142169.8173.658.3-85.6000108.3Y39 A68 W88 P89 F90Y39-F66 HydrophobicContact CD1-CB 3.83Å; Y39-F66 HydrophobicContact CD1-CD1 4.46Å; Y39-F66 HydrophobicContact CD1-CG 4.44Å; Y39-F66 HydrophobicContact CD2-CB 3.88Å; Y39-F66 HydrophobicContact CE1-CB 3.63Å; Y39-F66 AromaticContact CE1-CD1 3.94Å; Y39-F66 HydrophobicContact CE1-CD1 3.94Å; Y39-F66 AromaticContact CE1-CG 3.86Å; Y39-F66 HydrophobicContact CE1-CG 3.86Å; Y39-F66 HydrophobicContact CE2-CB 3.66Å; Y39-F66 HydrophobicContact CE2-CG 4.43Å; Y39-F66 HydrophobicContact CG-CB 3.94Å; Y39-F66 AromaticContact CZ-CG 3.83Å; F66-A68 PolarHBondContact O-N 3.47Å; F66-A68 VanDerWaalsContact O-N 3.1Å; F66-W88 AromaticContact CE2-CD1 3.79Å; F66-W88 AromaticContact CZ-CD1 3.94Å; F66-P89 HydrophobicContact CE1-CG 3.86Å; F66-P89 HydrophobicContact CZ-CG 4.34Å; F66-F90 AromaticContact CD1-CE1 3.86Å; F66-F90 HydrophobicContact CD1-CE1 3.86Å; F66-F90 HydrophobicContact CE1-CD1 4.3Å; F66-F90 AromaticContact CE1-CE1 3.81Å; F66-F90 HydrophobicContact CE1-CE1 3.81Å; F66-F90 HydrophobicContact CG-CE1 4.38Å; F66-F90 HydrophobicContact CZ-CE1 4.3Å; F66-F90 WeakPolarHBondContact O-CZ 3.43Å
67D93.6Very high93.4Very high5 Ų530.8 Ų30.83%0.02716%0.16CC..  trans55.724.4-176.2-57.1-25.3000114.5T11 K69 R70 W88T11-D67 HydrophobicContact CG2-CB 4.12Å; D67-K69 PolarHBondContact O-N 3.27Å; D67-R70 HydrophobicContact CB-CG 4.33Å; D67-R70 WeakPolarHBondContact O-CB 3.16Å; D67-R70 PolarHBondContact O-N 3.16Å; D67-W88 HydrophobicContact CB-CZ2 4.39Å
68A94.9Very high93Very high7 Ų732.3 Ų32.36%0.05817%0.168CC..Hα-helixtrans-57.2-27.5-178.900000112.5F66 R70 L71 I72 I117F66-A68 PolarHBondContact O-N 3.47Å; F66-A68 VanDerWaalsContact O-N 3.1Å; A68-R70 PolarHBondContact O-N 2.84Å; A68-L71 WeakPolarHBondContact O-CB 3.28Å; A68-L71 PolarHBondContact O-N 3.42Å; A68-I72 PolarHBondContact O-N 2.91Å; A68-I117 HydrophobicContact CB-CB 4.03Å; A68-I117 HydrophobicContact CB-CG2 3.53Å
69K93.7Very high92.9Very high11 Ų1136.1 Ų36.15%0.04819%0.19CC..Hα-helixtrans-60.5-27.7173.4-165.7-179.5-171.3178.10113.5L9 D67 L71 I72 F148 E173L9-K69 WeakPolarHBondContact O-CD 3.34Å; L9-K69 WeakPolarHBondContact O-CE 3.34Å; L9-K69 PolarHBondContact O-NZ 3.49Å; D67-K69 PolarHBondContact O-N 3.27Å; K69-L71 PolarHBondContact O-N 3.47Å; K69-I72 VanDerWaalsContact O-CG2 3.31Å; K69-I72 WeakPolarHBondContact O-CG2 3.46Å; K69-F148 HydrophobicContact CG-CZ 4.09Å; K69-E173 IonicContact NZ-OE1 2.7Å; K69-E173 PolarHBondContact NZ-OE1 2.92Å; K69-E173 IonicContact NZ-OE2 3.54Å
70R92.1Very high92.6Very high10 Ų1029.6 Ų29.64%0.03816%0.16CC..Hα-helixtrans-68.9-21.9174.3-68.7-178.7168.7-104.73.1112.2T11 D67 A68 R74 D84 W88 G201 D230T11-R70 HydrophobicContact CG2-CG 4Å; D67-R70 HydrophobicContact CB-CG 4.33Å; D67-R70 WeakPolarHBondContact O-CB 3.16Å; D67-R70 PolarHBondContact O-N 3.16Å; A68-R70 PolarHBondContact O-N 2.84Å; R70-R74 WeakPolarHBondContact O-CD 3.28Å; R70-R74 PolarHBondContact O-NE 3.4Å; R70-D84 WeakPolarHBondContact CD-OD2 3.45Å; R70-D84 IonicContact NH1-OD1 3.97Å; R70-D84 IonicContact NH1-OD2 3.82Å; R70-D84 PolarHBondContact NH1-OD2 3.13Å; R70-D84 VanDerWaalsContact NH1-OD2 3.14Å; R70-W88 HydrophobicContact CB-CZ2 4.34Å; R70-G201 PolarHBondContact NH2-O 3.25Å; R70-D230 IonicContact NH2-OD1 2.87Å; R70-D230 IonicContact NH2-OD2 3.62Å; R70-D230 PolarHBondContact NH2-OD2 2.7Å
71L93.3Very high92.3Very high2 Ų228.5 Ų28.51%0.0115%0.154CC..Hα-helixtrans-97.1-21.2-177.7-65.6174.5000114A68 K69 G73 R74 V81 W88 V92 L99 I101 A114A68-L71 WeakPolarHBondContact O-CB 3.28Å; A68-L71 PolarHBondContact O-N 3.42Å; K69-L71 PolarHBondContact O-N 3.47Å; L71-G73 PolarHBondContact O-N 3.32Å; L71-R74 PolarHBondContact O-N 3.47Å; L71-R74 VanDerWaalsContact O-N 3.14Å; L71-V81 HydrophobicContact CD2-CG1 3.85Å; L71-V81 HydrophobicContact CD2-CG2 4.18Å; L71-W88 HydrophobicContact CD1-CH2 3.94Å; L71-W88 HydrophobicContact CD1-CZ3 3.94Å; L71-W88 HydrophobicContact CD2-CH2 3.38Å; L71-W88 HydrophobicContact CD2-CZ3 3.59Å; L71-W88 HydrophobicContact CG-CH2 3.6Å; L71-W88 HydrophobicContact CG-CZ2 4.37Å; L71-W88 HydrophobicContact CG-CZ3 4.01Å; L71-V92 HydrophobicContact CD1-CG2 4.28Å; L71-L99 HydrophobicContact CB-CD2 4.26Å; L71-L99 HydrophobicContact CD1-CD2 4.06Å; L71-L99 HydrophobicContact CD2-CD1 3.65Å; L71-L99 HydrophobicContact CD2-CD2 4.13Å; L71-L99 HydrophobicContact CG-CD2 4.39Å; L71-I101 HydrophobicContact CD1-CD1 3.81Å; L71-I101 HydrophobicContact CD1-CG1 3.97Å; L71-A114 HydrophobicContact CB-CB 3.67Å
72I92Very high92.3Very high0 Ų031.5 Ų31.50%017%0.167CC..THydrogen-bonded Turntrans-58.1129-173.6-156.4164.2000111.1A68 K69 R74 A114 E115 F148 Q152 A155 A159A68-I72 PolarHBondContact O-N 2.91Å; K69-I72 VanDerWaalsContact O-CG2 3.31Å; K69-I72 WeakPolarHBondContact O-CG2 3.46Å; I72-R74 PolarHBondContact O-N 2.96Å; I72-A114 HydrophobicContact CB-CB 4.38Å; I72-E115 HydrophobicContact CG1-CG 4.33Å; I72-F148 HydrophobicContact CG2-CE2 3.71Å; I72-F148 HydrophobicContact CG2-CZ 3.93Å; I72-Q152 WeakPolarHBondContact O-CG 3.48Å; I72-A155 HydrophobicContact CD1-CB 4.34Å; I72-A155 HydrophobicContact CG1-CB 3.56Å; I72-A159 HydrophobicContact CD1-CB 4.44Å
73G89.4Confident92Very high22 Ų2231.6 Ų31.623%0.22717%0.17CC..THydrogen-bonded Turntrans62.88-179.800000116.4L71L71-G73 PolarHBondContact O-N 3.32Å
74R89.2Confident91.7Very high37 Ų3730.9 Ų30.914%0.1417%0.166CC..  trans-93.3157.7179-66.4-159.5-173.6-97.3-3.8112.8R70 L71 I72 D78 S80 V81 T224 H225R70-R74 WeakPolarHBondContact O-CD 3.28Å; R70-R74 PolarHBondContact O-NE 3.4Å; L71-R74 PolarHBondContact O-N 3.47Å; L71-R74 VanDerWaalsContact O-N 3.14Å; I72-R74 PolarHBondContact O-N 2.96Å; R74-D78 IonicContact CZ-OD2 3.22Å; R74-D78 IonicContact NH1-OD2 3.34Å; R74-D78 PolarHBondContact NH1-OD2 3.49Å; R74-S80 PolarHBondContact NH1-OG 3.26Å; R74-V81 HydrophobicContact CB-CG2 3.81Å; R74-V81 HydrophobicContact CG-CG2 4.32Å; R74-T224 PolarHBondContact NH2-OG1 3.45Å; R74-H225 VanDerWaalsContact CZ-NE2 3.29Å; R74-H225 PolarHBondContact NH2-CE1 2.89Å; R74-H225 PolarHBondContact NH2-NE2 3.14Å
75R87.5Confident91.4Very high110 Ų11033.2 Ų33.242%0.41518%0.178SC..  trans-86.5151.9171.3-55.8-166.8-47.5-133.2-9.2110.7D77 D78R75-D77 WeakPolarHBondContact CB-OD1 3.36Å; R75-D77 IonicContact CZ-OD1 3.18Å; R75-D77 IonicContact NE-OD1 2.65Å; R75-D77 PolarHBondContact NE-OD1 2.72Å; R75-D77 IonicContact NE-OD2 2.82Å; R75-D77 IonicContact NH2-OD1 3.21Å; R75-D77 IonicContact NH2-OD2 3.32Å; R75-D77 PolarHBondContact O-N 3.06Å; R75-D78 WeakPolarHBondContact O-CB 3.46Å; R75-D78 PolarHBondContact O-N 3.18Å
76F90.4Very high91Very high43 Ų4341 Ų4119%0.18921%0.211CC..THydrogen-bonded Turntrans-59.1-35.7175.2-175.9-97.9000112.8D78 Q82 M85 V92 Q94 L99F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.12Å; F76-Q82 PolarHBondContact O-NE2 3.38Å; F76-M85 HydrophobicContact CE2-CE 3.97Å; F76-M85 HydrophobicContact CE2-SD 4.06Å; F76-M85 HydrophobicContact CZ-CE 4.18Å; F76-V92 HydrophobicContact CD2-CG1 4.49Å; F76-V92 HydrophobicContact CE2-CG1 4.42Å; F76-Q94 HydrophobicContact CB-CB 3.97Å; F76-Q94 HydrophobicContact CB-CG 3.86Å; F76-Q94 HydrophobicContact CD1-CB 3.96Å; F76-Q94 HydrophobicContact CD2-CB 3.93Å; F76-Q94 HydrophobicContact CE1-CB 4.45Å; F76-Q94 HydrophobicContact CE2-CB 4.42Å; F76-Q94 HydrophobicContact CG-CB 3.68Å; F76-Q94 HydrophobicContact CG-CG 4.13Å; F76-L99 HydrophobicContact CD2-CD1 4.34Å; F76-L99 HydrophobicContact CD2-CG 4.44Å
77D89.1Confident90.7Very high95 Ų9543.6 Ų43.651%0.50822%0.223SC..THydrogen-bonded Turntrans-84.73.3-177.867.7-14.2000114.5R75R75-D77 WeakPolarHBondContact CB-OD1 3.36Å; R75-D77 IonicContact CZ-OD1 3.18Å; R75-D77 IonicContact NE-OD1 2.65Å; R75-D77 PolarHBondContact NE-OD1 2.72Å; R75-D77 IonicContact NE-OD2 2.82Å; R75-D77 IonicContact NH2-OD1 3.21Å; R75-D77 IonicContact NH2-OD2 3.32Å; R75-D77 PolarHBondContact O-N 3.06Å
78D86.9Confident90.7Very high38 Ų3844.4 Ų44.420%0.20323%0.226CC..  trans-61.3125.6175.9-174.1-34.9000109.7R74 R75 F76 S80 V81 Q82R74-D78 IonicContact CZ-OD2 3.22Å; R74-D78 IonicContact NH1-OD2 3.34Å; R74-D78 PolarHBondContact NH1-OD2 3.49Å; R75-D78 WeakPolarHBondContact O-CB 3.46Å; R75-D78 PolarHBondContact O-N 3.18Å; F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.12Å; D78-S80 PolarHBondContact O-N 2.92Å; D78-S80 VanDerWaalsContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.3Å; D78-S80 PolarHBondContact OD1-N 3.34Å; D78-S80 PolarHBondContact OD1-OG 2.9Å; D78-S80 PolarHBondContact OD2-OG 2.95Å; D78-V81 HydrophobicContact CB-CB 4.15Å; D78-V81 HydrophobicContact CB-CG2 3.87Å; D78-V81 WeakPolarHBondContact O-CB 3.21Å; D78-V81 PolarHBondContact O-N 2.77Å; D78-V81 VanDerWaalsContact O-N 3.09Å; D78-Q82 WeakPolarHBondContact O-CG 3.03Å; D78-Q82 PolarHBondContact O-N 3.3Å
79P88.8Confident90.6Very high107 Ų10744.7 Ų44.770%0.69523%0.228SC*.Hα-helixtrans-53.8-32.4179.8-28.135.4000114.1S83P79-S83 PolarHBondContact O-N 3.38Å; P79-S83 VanDerWaalsContact O-N 3.08Å
80S86.4Confident90.7Very high19 Ų1944.7 Ų44.713%0.13323%0.227CC..Hα-helixtrans-70-45.5177.761.60000112.2R74 D78 Q82 S83 D84 H225R74-S80 PolarHBondContact NH1-OG 3.26Å; D78-S80 PolarHBondContact O-N 2.92Å; D78-S80 VanDerWaalsContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.3Å; D78-S80 PolarHBondContact OD1-N 3.34Å; D78-S80 PolarHBondContact OD1-OG 2.9Å; D78-S80 PolarHBondContact OD2-OG 2.95Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 2.94Å; S80-S83 WeakPolarHBondContact O-CA 3.44Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.88Å; S80-D84 PolarHBondContact O-N 2.72Å; S80-H225 WeakPolarHBondContact CB-CE1 3.14Å; S80-H225 WeakPolarHBondContact CB-NE2 3.43Å; S80-H225 PolarHBondContact OG-CE1 3.43Å; S80-H225 VanDerWaalsContact OG-CE1 3.25Å; S80-H225 PolarHBondContact OG-NE2 3.38Å; S80-H225 VanDerWaalsContact OG-NE2 3.14Å
81V90.5Very high90.9Very high1 Ų148.5 Ų48.51%0.00625%0.246CC..Hα-helixtrans-57.7-45173.2173.20000110.5L71 R74 D78 S83 D84 M85 L99L71-V81 HydrophobicContact CD2-CG1 3.85Å; L71-V81 HydrophobicContact CD2-CG2 4.18Å; R74-V81 HydrophobicContact CB-CG2 3.81Å; R74-V81 HydrophobicContact CG-CG2 4.32Å; D78-V81 HydrophobicContact CB-CB 4.15Å; D78-V81 HydrophobicContact CB-CG2 3.87Å; D78-V81 WeakPolarHBondContact O-CB 3.21Å; D78-V81 PolarHBondContact O-N 2.77Å; D78-V81 VanDerWaalsContact O-N 3.09Å; V81-S83 PolarHBondContact O-N 3.48Å; V81-D84 PolarHBondContact O-N 3.05Å; V81-M85 HydrophobicContact CG1-CG 4.24Å; V81-M85 HydrophobicContact CG1-SD 3.92Å; V81-M85 WeakPolarHBondContact O-CB 3.4Å; V81-M85 WeakPolarHBondContact O-CG 3.46Å; V81-M85 PolarHBondContact O-N 3.45Å; V81-L99 HydrophobicContact CG1-CD1 3.71Å
82Q94Very high91Very high75 Ų7549 Ų4935%0.3525%0.249SC..Hα-helixtrans-62.9-29.7177-67.7-61.8-50.100113.1F76 D78 S80 K86F76-Q82 PolarHBondContact O-NE2 3.38Å; D78-Q82 WeakPolarHBondContact O-CG 3.03Å; D78-Q82 PolarHBondContact O-N 3.3Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 2.94Å; Q82-K86 WeakPolarHBondContact O-CE 3.36Å
83S91Very high91.2Very high53 Ų5350.7 Ų50.737%0.37126%0.259SS..Hα-helixtrans-73.4-51173.7-167.10000111.1P79 S80 V81 M85 K86P79-S83 PolarHBondContact O-N 3.38Å; P79-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 WeakPolarHBondContact O-CA 3.44Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.88Å; V81-S83 PolarHBondContact O-N 3.48Å; S83-M85 VanDerWaalsContact C-N 3.33Å; S83-M85 PolarHBondContact O-N 2.86Å; S83-K86 WeakPolarHBondContact O-CB 3.09Å; S83-K86 WeakPolarHBondContact O-CG 3.48Å; S83-K86 PolarHBondContact O-N 3.31Å; S83-K86 VanDerWaalsContact O-N 3.17Å
84D91.1Very high91.3Very high12 Ų1253.8 Ų53.86%0.06427%0.268CS..Hα-helixtrans-64.9-35.5-175.8-70.5-15.2000112.4R70 S80 V81 K86 H87 W88 H225R70-D84 WeakPolarHBondContact CD-OD2 3.45Å; R70-D84 IonicContact NH1-OD1 3.97Å; R70-D84 IonicContact NH1-OD2 3.82Å; R70-D84 PolarHBondContact NH1-OD2 3.13Å; R70-D84 VanDerWaalsContact NH1-OD2 3.14Å; S80-D84 PolarHBondContact O-N 2.72Å; V81-D84 PolarHBondContact O-N 3.05Å; D84-K86 PolarHBondContact O-N 2.93Å; D84-H87 PolarHBondContact O-N 3.21Å; D84-W88 HydrophobicContact CB-CH2 3.56Å; D84-W88 HydrophobicContact CB-CZ2 3.51Å; D84-W88 HydrophobicContact CB-CZ3 4.27Å; D84-H225 IonicContact OD2-CD2 3.26Å
85M92.4Very high91.2Very high49 Ų4955.5 Ų55.524%0.24128%0.282CS..THydrogen-bonded Turntrans-54.2-24.7174.9-7917762.300114.2F76 V81 S83 H87 W88 V92F76-M85 HydrophobicContact CE2-CE 3.97Å; F76-M85 HydrophobicContact CE2-SD 4.06Å; F76-M85 HydrophobicContact CZ-CE 4.18Å; V81-M85 HydrophobicContact CG1-CG 4.24Å; V81-M85 HydrophobicContact CG1-SD 3.92Å; V81-M85 WeakPolarHBondContact O-CB 3.4Å; V81-M85 WeakPolarHBondContact O-CG 3.46Å; V81-M85 PolarHBondContact O-N 3.45Å; S83-M85 VanDerWaalsContact C-N 3.33Å; S83-M85 PolarHBondContact O-N 2.86Å; M85-H87 PolarHBondContact O-N 2.88Å; M85-W88 HydrophobicContact CB-CE3 4.26Å; M85-W88 HydrophobicContact CB-CZ3 4.32Å; M85-W88 HydrophobicContact CG-CE3 3.81Å; M85-W88 HydrophobicContact CG-CZ3 3.56Å; M85-V92 HydrophobicContact CE-CB 3.94Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 WeakPolarHBondContact CE-O 3.38Å; M85-V92 HydrophobicContact CG-CB 4.11Å; M85-V92 HydrophobicContact CG-CG1 4.49Å; M85-V92 HydrophobicContact CG-CG2 4.46Å; M85-V92 HydrophobicContact SD-CB 4.05Å; M85-V92 HydrophobicContact SD-CG1 4.1Å
86K90.1Very high91Very high163 Ų16354.2 Ų54.271%0.70930%0.303SS*.THydrogen-bonded Turntrans-70.7-18.4177.8-61170.1-172.6165.10112.8Q82 S83 D84Q82-K86 WeakPolarHBondContact O-CE 3.36Å; S83-K86 WeakPolarHBondContact O-CB 3.09Å; S83-K86 WeakPolarHBondContact O-CG 3.48Å; S83-K86 PolarHBondContact O-N 3.31Å; S83-K86 VanDerWaalsContact O-N 3.17Å; D84-K86 PolarHBondContact O-N 2.93Å
87H88.6Confident90.5Very high56 Ų5654.3 Ų54.326%0.25932%0.316SS..THydrogen-bonded Turntrans-104.6-9.1-174.5-61.6-65.3000113.2D84 M85D84-H87 PolarHBondContact O-N 3.21Å; M85-H87 PolarHBondContact O-N 2.88Å
88W92.9Very high90.3Very high22 Ų2251.3 Ų51.38%0.08330%0.299CS..  trans-90.8138.5-179.6-62.4-35.6000112.9F66 D67 R70 L71 D84 M85 F90 V92F66-W88 AromaticContact CE2-CD1 3.79Å; F66-W88 AromaticContact CZ-CD1 3.94Å; D67-W88 HydrophobicContact CB-CZ2 4.39Å; R70-W88 HydrophobicContact CB-CZ2 4.34Å; L71-W88 HydrophobicContact CD1-CH2 3.94Å; L71-W88 HydrophobicContact CD1-CZ3 3.94Å; L71-W88 HydrophobicContact CD2-CH2 3.38Å; L71-W88 HydrophobicContact CD2-CZ3 3.59Å; L71-W88 HydrophobicContact CG-CH2 3.6Å; L71-W88 HydrophobicContact CG-CZ2 4.37Å; L71-W88 HydrophobicContact CG-CZ3 4.01Å; D84-W88 HydrophobicContact CB-CH2 3.56Å; D84-W88 HydrophobicContact CB-CZ2 3.51Å; D84-W88 HydrophobicContact CB-CZ3 4.27Å; M85-W88 HydrophobicContact CB-CE3 4.26Å; M85-W88 HydrophobicContact CB-CZ3 4.32Å; M85-W88 HydrophobicContact CG-CE3 3.81Å; M85-W88 HydrophobicContact CG-CZ3 3.56Å; W88-F90 HydrophobicContact CB-CD1 4.21Å; W88-F90 HydrophobicContact CB-CD2 4.19Å; W88-F90 HydrophobicContact CB-CE1 3.88Å; W88-F90 HydrophobicContact CB-CE2 3.87Å; W88-F90 HydrophobicContact CB-CG 4.35Å; W88-F90 HydrophobicContact CB-CZ 3.71Å; W88-F90 AromaticContact CD1-CZ 3.73Å; W88-F90 AromaticContact CD2-CE2 3.8Å; W88-F90 HydrophobicContact CD2-CE2 3.8Å; W88-F90 AromaticContact CD2-CZ 3.65Å; W88-F90 HydrophobicContact CD2-CZ 3.65Å; W88-F90 AromaticContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CZ 4.16Å; W88-F90 AromaticContact CG-CE1 3.9Å; W88-F90 HydrophobicContact CG-CE1 3.9Å; W88-F90 AromaticContact CG-CE2 3.83Å; W88-F90 HydrophobicContact CG-CE2 3.83Å; W88-F90 AromaticContact CG-CZ 3.41Å; W88-F90 HydrophobicContact CG-CZ 3.41Å; W88-F90 VanDerWaalsContact CG-CZ 3.41Å; W88-V92 HydrophobicContact CE3-CG2 3.84Å; W88-V92 HydrophobicContact CZ3-CG2 4.05Å
89P93.9Very high90.5Very high14 Ų1450.1 Ų50.19%0.09129%0.292CS..SBendtrans-77.2-24.617430.3-35000113.3P61 F66 K255P61-P89 HydrophobicContact CB-CB 3.85Å; P61-P89 HydrophobicContact CB-CG 4.13Å; P61-P89 WeakPolarHBondContact O-CB 3.43Å; P61-P89 WeakPolarHBondContact O-CG 3.42Å; F66-P89 HydrophobicContact CE1-CG 3.86Å; F66-P89 HydrophobicContact CZ-CG 4.34Å; P89-K255 HydrophobicContact CB-CB 4.44Å; P89-K255 HydrophobicContact CB-CD 4.33Å; P89-K255 WeakPolarHBondContact O-CD 3.38Å; P89-K255 WeakPolarHBondContact O-CE 3.5Å; P89-K255 PolarHBondContact O-NZ 3.43Å
90F95.6Very high90.8Very high10 Ų1046.3 Ų46.34%0.04427%0.265CS..SBendtrans-85.4156.4179.352.6-97.2000111.7T62 T64 V65 F66 W88 V92 I101T62-F90 VanDerWaalsContact O-CB 3.24Å; T62-F90 WeakPolarHBondContact O-CB 3.48Å; T64-F90 WeakPolarHBondContact O-CD1 3.17Å; V65-F90 HydrophobicContact CG1-CE1 4.28Å; V65-F90 HydrophobicContact CG1-CE2 4.31Å; V65-F90 HydrophobicContact CG1-CZ 4.08Å; F66-F90 AromaticContact CD1-CE1 3.86Å; F66-F90 HydrophobicContact CD1-CE1 3.86Å; F66-F90 HydrophobicContact CE1-CD1 4.3Å; F66-F90 AromaticContact CE1-CE1 3.81Å; F66-F90 HydrophobicContact CE1-CE1 3.81Å; F66-F90 HydrophobicContact CG-CE1 4.38Å; F66-F90 HydrophobicContact CZ-CE1 4.3Å; F66-F90 WeakPolarHBondContact O-CZ 3.43Å; W88-F90 HydrophobicContact CB-CD1 4.21Å; W88-F90 HydrophobicContact CB-CD2 4.19Å; W88-F90 HydrophobicContact CB-CE1 3.88Å; W88-F90 HydrophobicContact CB-CE2 3.87Å; W88-F90 HydrophobicContact CB-CG 4.35Å; W88-F90 HydrophobicContact CB-CZ 3.71Å; W88-F90 AromaticContact CD1-CZ 3.73Å; W88-F90 AromaticContact CD2-CE2 3.8Å; W88-F90 HydrophobicContact CD2-CE2 3.8Å; W88-F90 AromaticContact CD2-CZ 3.65Å; W88-F90 HydrophobicContact CD2-CZ 3.65Å; W88-F90 AromaticContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CZ 4.16Å; W88-F90 AromaticContact CG-CE1 3.9Å; W88-F90 HydrophobicContact CG-CE1 3.9Å; W88-F90 AromaticContact CG-CE2 3.83Å; W88-F90 HydrophobicContact CG-CE2 3.83Å; W88-F90 AromaticContact CG-CZ 3.41Å; W88-F90 HydrophobicContact CG-CZ 3.41Å; W88-F90 VanDerWaalsContact CG-CZ 3.41Å; F90-V92 HydrophobicContact CD2-CG2 3.88Å; F90-V92 HydrophobicContact CE2-CG2 3.78Å; F90-I101 HydrophobicContact CD2-CG2 3.89Å; F90-I101 HydrophobicContact CE2-CG2 4.34Å
91E95.8Very high91.4Very high91 Ų9145.4 Ų45.443%0.42526%0.259SS..EExtended strand (participates in β ladder)trans-85.8133.4-179.6175.8-168.2179.700110.1C102 K109E91-C102 HydrophobicContact CB-CB 3.88Å; E91-C102 HydrophobicContact CG-CB 4.04Å; E91-C102 PolarHBondContact O-N 2.89Å; E91-K109 IonicContact OE1-NZ 3.58Å; E91-K109 IonicContact OE2-NZ 2.69Å; E91-K109 PolarHBondContact OE2-NZ 2.9Å
92V96.4Very high91.7Very high11 Ų1145.6 Ų45.67%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-117.7127.5170.2179.70000108.1L71 F76 M85 W88 F90 L99 K100 I101L71-V92 HydrophobicContact CD1-CG2 4.28Å; F76-V92 HydrophobicContact CD2-CG1 4.49Å; F76-V92 HydrophobicContact CE2-CG1 4.42Å; M85-V92 HydrophobicContact CE-CB 3.94Å; M85-V92 HydrophobicContact CE-CG1 4.45Å; M85-V92 WeakPolarHBondContact CE-O 3.38Å; M85-V92 HydrophobicContact CG-CB 4.11Å; M85-V92 HydrophobicContact CG-CG1 4.49Å; M85-V92 HydrophobicContact CG-CG2 4.46Å; M85-V92 HydrophobicContact SD-CB 4.05Å; M85-V92 HydrophobicContact SD-CG1 4.1Å; W88-V92 HydrophobicContact CE3-CG2 3.84Å; W88-V92 HydrophobicContact CZ3-CG2 4.05Å; F90-V92 HydrophobicContact CD2-CG2 3.88Å; F90-V92 HydrophobicContact CE2-CG2 3.78Å; V92-L99 HydrophobicContact CG1-CD1 3.65Å; V92-L99 HydrophobicContact CG1-CD2 3.57Å; V92-L99 HydrophobicContact CG1-CG 3.47Å; V92-L99 VanDerWaalsContact CG1-CG 3.47Å; V92-K100 CarbonylContact C-O 3.56Å; V92-K100 WeakPolarHBondContact CA-O 3.32Å; V92-I101 HydrophobicContact CG2-CG1 4.36Å
93T94.8Very high91.9Very high37 Ų3742.2 Ų42.223%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-131.5177.1-175.6-165.40000111.2V95 L99 K100 C102T93-V95 HydrophobicContact CG2-CG2 4.26Å; T93-L99 CarbonylContact O-C 3.53Å; T93-L99 WeakPolarHBondContact O-CA 3.33Å; T93-K100 HydrophobicContact CG2-CB 4.15Å; T93-K100 PolarHBondContact N-O 2.99Å; T93-K100 PolarHBondContact O-N 3.4Å; T93-C102 WeakPolarHBondContact CG2-SG 3.47Å
94Q91.6Very high92.2Very high87 Ų8744.1 Ų44.141%0.40725%0.247SC..EExtended strand (participates in β ladder)trans-120126.2175.8-164.6177.418.200110.7F76 G97 K98F76-Q94 HydrophobicContact CB-CB 3.97Å; F76-Q94 HydrophobicContact CB-CG 3.86Å; F76-Q94 HydrophobicContact CD1-CB 3.96Å; F76-Q94 HydrophobicContact CD2-CB 3.93Å; F76-Q94 HydrophobicContact CE1-CB 4.45Å; F76-Q94 HydrophobicContact CE2-CB 4.42Å; F76-Q94 HydrophobicContact CG-CB 3.68Å; F76-Q94 HydrophobicContact CG-CG 4.13Å; Q94-G97 PolarHBondContact NE2-O 3.37Å; Q94-K98 CarbonylContact C-O 3.5Å; Q94-K98 VanDerWaalsContact CA-O 3.31Å; Q94-K98 WeakPolarHBondContact CA-O 3.46Å
95V88.4Confident92.4Very high73 Ų7343.8 Ų43.844%0.44225%0.245SC..EExtended strand (participates in β ladder)trans-128.1124.1174.9-177.80000108.8T93 G97 K98 K100 M111T93-V95 HydrophobicContact CG2-CG2 4.26Å; V95-G97 PolarHBondContact O-N 3.25Å; V95-K98 PolarHBondContact N-O 3.13Å; V95-K98 PolarHBondContact O-N 2.86Å; V95-K100 HydrophobicContact CB-CG 4.25Å; V95-K100 HydrophobicContact CG2-CG 4.32Å; V95-M111 HydrophobicContact CG2-SD 3.83Å
96G82.5Confident92.4Very high83 Ų8345.6 Ų45.686%0.85625%0.252SS*.THydrogen-bonded Turntrans59.429.9179.200000113.9K98G96-K98 VanDerWaalsContact C-N 3.27Å; G96-K98 PolarHBondContact O-N 2.94Å
97G80.7Confident92.4Very high45 Ų4540.2 Ų40.246%0.46424%0.243SC..THydrogen-bonded Turntrans84.9-10.2-175.700000114.8Q94 V95Q94-G97 PolarHBondContact NE2-O 3.37Å; V95-G97 PolarHBondContact O-N 3.25Å
98K83.7Confident92.7Very high32 Ų3242.9 Ų42.914%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-100.6144.6-178.1-59.7-174.7180-178.80112Q94 V95 G96 R507 E512Q94-K98 CarbonylContact C-O 3.5Å; Q94-K98 VanDerWaalsContact CA-O 3.31Å; Q94-K98 WeakPolarHBondContact CA-O 3.46Å; V95-K98 PolarHBondContact N-O 3.13Å; V95-K98 PolarHBondContact O-N 2.86Å; G96-K98 VanDerWaalsContact C-N 3.27Å; G96-K98 PolarHBondContact O-N 2.94Å; K98-R507 WeakPolarHBondContact CE-O 3.09Å; K98-R507 PolarHBondContact NZ-O 3.31Å; K98-E512 IonicContact NZ-OE1 2.71Å; K98-E512 PolarHBondContact NZ-OE1 2.76Å; K98-E512 IonicContact NZ-OE2 3.74Å; K98-E512 PolarHBondContact NZ-OE2 3.42Å
99L91.8Very high92.8Very high13 Ų1348 Ų487%0.06828%0.278CS..EExtended strand (participates in β ladder)trans-71.2135.5174.1-173.8148.4000110.4L71 F76 V81 V92 T93 I101L71-L99 HydrophobicContact CB-CD2 4.26Å; L71-L99 HydrophobicContact CD1-CD2 4.06Å; L71-L99 HydrophobicContact CD2-CD1 3.65Å; L71-L99 HydrophobicContact CD2-CD2 4.13Å; L71-L99 HydrophobicContact CG-CD2 4.39Å; F76-L99 HydrophobicContact CD2-CD1 4.34Å; F76-L99 HydrophobicContact CD2-CG 4.44Å; V81-L99 HydrophobicContact CG1-CD1 3.71Å; V92-L99 HydrophobicContact CG1-CD1 3.65Å; V92-L99 HydrophobicContact CG1-CD2 3.57Å; V92-L99 HydrophobicContact CG1-CG 3.47Å; V92-L99 VanDerWaalsContact CG1-CG 3.47Å; T93-L99 CarbonylContact O-C 3.53Å; T93-L99 WeakPolarHBondContact O-CA 3.33Å; L99-I101 HydrophobicContact CD2-CG1 4.29Å
100K95.2Very high92.9Very high27 Ų2749.9 Ų49.912%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-134.1135.7177.2-71.4-64.8-174.5170.40110.9V92 T93 V95 M111 F112 E116V92-K100 CarbonylContact C-O 3.56Å; V92-K100 WeakPolarHBondContact CA-O 3.32Å; T93-K100 HydrophobicContact CG2-CB 4.15Å; T93-K100 PolarHBondContact N-O 2.99Å; T93-K100 PolarHBondContact O-N 3.4Å; V95-K100 HydrophobicContact CB-CG 4.25Å; V95-K100 HydrophobicContact CG2-CG 4.32Å; K100-M111 HydrophobicContact CB-CB 4.24Å; K100-M111 HydrophobicContact CD-CB 4.47Å; K100-M111 HydrophobicContact CG-CB 4.48Å; K100-F112 CarbonylContact C-O 3.59Å; K100-F112 WeakPolarHBondContact CA-O 3.38Å; K100-F112 WeakPolarHBondContact CD-O 3.17Å; K100-E116 IonicContact NZ-OE2 2.83Å; K100-E116 PolarHBondContact NZ-OE2 2.87Å
101I97.6Very high92.9Very high0 Ų053.6 Ų53.60%030%0.303CS..EExtended strand (participates in β ladder)trans-93.4120.9175.2-58.6159.7000107.2V65 L71 F90 V92 L99 V103 M111 F112 I117V65-I101 HydrophobicContact CG1-CD1 4.03Å; V65-I101 HydrophobicContact CG1-CG2 4.08Å; V65-I101 HydrophobicContact CG2-CG2 3.64Å; L71-I101 HydrophobicContact CD1-CD1 3.81Å; L71-I101 HydrophobicContact CD1-CG1 3.97Å; F90-I101 HydrophobicContact CD2-CG2 3.89Å; F90-I101 HydrophobicContact CE2-CG2 4.34Å; V92-I101 HydrophobicContact CG2-CG1 4.36Å; L99-I101 HydrophobicContact CD2-CG1 4.29Å; I101-V103 HydrophobicContact CG2-CG1 4.33Å; I101-M111 WeakPolarHBondContact O-CA 3.35Å; I101-F112 PolarHBondContact N-O 3.38Å; I101-F112 PolarHBondContact O-N 2.84Å; I101-I117 HydrophobicContact CD1-CG1 3.8Å
102C97.5Very high93Very high5 Ų549.4 Ų49.43%0.03428%0.284CS..EExtended strand (participates in β ladder)trans-96.6123.1-177-730000110.1E91 T93 K110E91-C102 HydrophobicContact CB-CB 3.88Å; E91-C102 HydrophobicContact CG-CB 4.04Å; E91-C102 PolarHBondContact O-N 2.89Å; T93-C102 WeakPolarHBondContact CG2-SG 3.47Å; C102-K110 WeakPolarHBondContact CA-O 3.47Å
103V97.7Very high92.9Very high4 Ų449 Ų492%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-137.2158.9176.6-62.30000110.1F42 N63 V65 I101 K109 K110 F112F42-V103 HydrophobicContact CB-CG2 4.3Å; F42-V103 HydrophobicContact CD1-CG2 4.31Å; F42-V103 HydrophobicContact CD2-CB 4Å; F42-V103 HydrophobicContact CD2-CG1 3.95Å; F42-V103 HydrophobicContact CD2-CG2 3.65Å; F42-V103 HydrophobicContact CE2-CG1 4.28Å; F42-V103 HydrophobicContact CE2-CG2 3.99Å; F42-V103 HydrophobicContact CG-CB 4.38Å; F42-V103 HydrophobicContact CG-CG2 3.82Å; F42-V103 HydrophobicContact CZ-CG2 4.45Å; N63-V103 HydrophobicContact CB-CB 4.34Å; V65-V103 HydrophobicContact CG2-CG1 3.75Å; I101-V103 HydrophobicContact CG2-CG1 4.33Å; V103-K109 WeakPolarHBondContact O-CA 3.39Å; V103-K110 HydrophobicContact CG2-CB 4.29Å; V103-K110 PolarHBondContact N-O 2.72Å; V103-K110 PolarHBondContact O-N 3.46Å; V103-F112 HydrophobicContact CG2-CD2 3.68Å; V103-F112 HydrophobicContact CG2-CE2 3.51Å
104E97.4Very high93Very high93 Ų9347.4 Ų47.444%0.43527%0.272SS..EExtended strand (participates in β ladder)trans-95.3128.1166.2-167.4172.7157.300109.3N63 E108N63-E104 PolarHBondContact OD1-N 2.95Å; E104-E108 WeakPolarHBondContact CA-O 3.43Å
105Y95.6Very high93.2Very high4 Ų444 Ų442%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-136.8123.7177.9-178.6-131.6000109F42 T43 E46 R47 G107 E108 Y523F42-Y105 HydrophobicContact CB-CD2 3.88Å; F42-Y105 HydrophobicContact CB-CG 4.21Å; F42-Y105 HydrophobicContact CD1-CD1 4.41Å; F42-Y105 AromaticContact CD1-CD2 4Å; F42-Y105 HydrophobicContact CD1-CD2 4Å; F42-Y105 AromaticContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CD1-CG 3.9Å; F42-Y105 HydrophobicContact CG-CD2 4.46Å; T43-Y105 WeakPolarHBondContact O-CD2 3.44Å; E46-Y105 WeakPolarHBondContact O-CE2 3.17Å; R47-Y105 HydrophobicContact CG-CD2 4.39Å; R47-Y105 HydrophobicContact CG-CE1 4.24Å; R47-Y105 HydrophobicContact CG-CE2 3.7Å; Y105-G107 VanDerWaalsContact C-N 3.26Å; Y105-G107 PolarHBondContact O-N 3.19Å; Y105-E108 PolarHBondContact N-O 2.97Å; Y105-E108 PolarHBondContact O-N 2.96Å; Y105-Y523 HydrophobicContact CD1-CE1 4.4Å; Y105-Y523 HydrophobicContact CE1-CD1 4.18Å; Y105-Y523 HydrophobicContact CE1-CE1 4.01Å
106K91.9Very high93.5Very high87 Ų8741.3 Ų41.338%0.37824%0.239SC..THydrogen-bonded Turntrans5242-176-62.2178.3172.51700113.3T43 S45 E108 E526T43-K106 PolarHBondContact O-N 3.04Å; T43-K106 VanDerWaalsContact O-N 3.14Å; S45-K106 VanDerWaalsContact O-CE 3.29Å; S45-K106 WeakPolarHBondContact O-CE 3.4Å; K106-E108 PolarHBondContact O-N 2.98Å; K106-E526 IonicContact NZ-OE2 3.22Å; K106-E526 PolarHBondContact NZ-OE2 3.3Å
107G90.1Very high94.3Very high51 Ų5137.4 Ų37.453%0.52620%0.199SC..THydrogen-bonded Turntrans71.45.7-178.500000115.5Y105Y105-G107 VanDerWaalsContact C-N 3.26Å; Y105-G107 PolarHBondContact O-N 3.19Å
108E94.7Very high95.1Very high112 Ų11235.4 Ų35.452%0.52318%0.177SC..EExtended strand (participates in β ladder)trans-113.9138177.9-66.1-175.3171.900111.4E104 Y105 K106 K110E104-E108 WeakPolarHBondContact CA-O 3.43Å; Y105-E108 PolarHBondContact N-O 2.97Å; Y105-E108 PolarHBondContact O-N 2.96Å; K106-E108 PolarHBondContact O-N 2.98Å; E108-K110 PolarHBondContact O-N 3.22Å; E108-K110 WeakPolarHBondContact OE2-CE 3.38Å; E108-K110 IonicContact OE2-NZ 3.14Å; E108-K110 PolarHBondContact OE2-NZ 3.4Å
109K96.3Very high95.7Very high130 Ų13034 Ų3457%0.56517%0.172SC*.EExtended strand (participates in β ladder)trans-69.4119.1170.1-169.7171.8-173168.90109.5E91 V103E91-K109 IonicContact OE1-NZ 3.58Å; E91-K109 IonicContact OE2-NZ 2.69Å; E91-K109 PolarHBondContact OE2-NZ 2.9Å; V103-K109 WeakPolarHBondContact O-CA 3.39Å
110K95.7Very high96Very high53 Ų5333.9 Ų33.923%0.2317%0.171CC..EExtended strand (participates in β ladder)trans-111.6153.2174.3-60.6-64179.3-171.30110.6C102 V103 E108 F112C102-K110 WeakPolarHBondContact CA-O 3.47Å; V103-K110 HydrophobicContact CG2-CB 4.29Å; V103-K110 PolarHBondContact N-O 2.72Å; V103-K110 PolarHBondContact O-N 3.46Å; E108-K110 PolarHBondContact O-N 3.22Å; E108-K110 WeakPolarHBondContact OE2-CE 3.38Å; E108-K110 IonicContact OE2-NZ 3.14Å; E108-K110 PolarHBondContact OE2-NZ 3.4Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.53Å; K110-F112 HydrophobicContact CB-CZ 3.86Å; K110-F112 HydrophobicContact CG-CE2 4.38Å; K110-F112 HydrophobicContact CG-CZ 4.34Å
111M96.1Very high96.2Very high87 Ų8732.9 Ų32.943%0.42917%0.167SC..EExtended strand (participates in β ladder)trans-128.5112.3179.3-69.8-177-17900109.6V95 K100 I101V95-M111 HydrophobicContact CG2-SD 3.83Å; K100-M111 HydrophobicContact CB-CB 4.24Å; K100-M111 HydrophobicContact CD-CB 4.47Å; K100-M111 HydrophobicContact CG-CB 4.48Å; I101-M111 WeakPolarHBondContact O-CA 3.35Å
112F96.5Very high96.2Very high3 Ų332.9 Ų32.91%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-108.3145.8-179.6-62.7-75.6000110.6F42 K100 I101 V103 K110 E116 I117 M120 Y523F42-F112 AromaticContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CZ 4.29Å; F42-F112 HydrophobicContact CE1-CD2 4.09Å; F42-F112 HydrophobicContact CE1-CE1 4.41Å; F42-F112 AromaticContact CE1-CE2 3.35Å; F42-F112 HydrophobicContact CE1-CE2 3.35Å; F42-F112 AromaticContact CE1-CZ 3.55Å; F42-F112 HydrophobicContact CE1-CZ 3.55Å; F42-F112 HydrophobicContact CE2-CD2 4.26Å; F42-F112 HydrophobicContact CE2-CE2 4.21Å; F42-F112 AromaticContact CZ-CD2 3.74Å; F42-F112 HydrophobicContact CZ-CD2 3.74Å; F42-F112 AromaticContact CZ-CE2 3.5Å; F42-F112 HydrophobicContact CZ-CE2 3.5Å; F42-F112 VanDerWaalsContact CZ-CE2 3.5Å; F42-F112 HydrophobicContact CZ-CG 4.42Å; F42-F112 HydrophobicContact CZ-CZ 4.01Å; K100-F112 CarbonylContact C-O 3.59Å; K100-F112 WeakPolarHBondContact CA-O 3.38Å; K100-F112 WeakPolarHBondContact CD-O 3.17Å; I101-F112 PolarHBondContact N-O 3.38Å; I101-F112 PolarHBondContact O-N 2.84Å; V103-F112 HydrophobicContact CG2-CD2 3.68Å; V103-F112 HydrophobicContact CG2-CE2 3.51Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.53Å; K110-F112 HydrophobicContact CB-CZ 3.86Å; K110-F112 HydrophobicContact CG-CE2 4.38Å; K110-F112 HydrophobicContact CG-CZ 4.34Å; F112-E116 WeakPolarHBondContact CA-OE2 3.42Å; F112-E116 HydrophobicContact CB-CB 4.17Å; F112-E116 HydrophobicContact CD1-CB 4.18Å; F112-I117 HydrophobicContact CB-CD1 3.74Å; F112-I117 HydrophobicContact CB-CG1 3.98Å; F112-I117 HydrophobicContact CD2-CD1 4.2Å; F112-I117 HydrophobicContact CG-CD1 4.03Å; F112-M120 HydrophobicContact CD1-CE 3.83Å; F112-M120 HydrophobicContact CE1-CE 3.79Å; F112-M120 HydrophobicContact CG-CE 4.44Å; F112-M120 HydrophobicContact CZ-CE 4.38Å; F112-Y523 AromaticContact CE1-CE2 3.88Å; F112-Y523 HydrophobicContact CE1-CE2 3.88Å; F112-Y523 HydrophobicContact CZ-CE2 4.45Å
113S95.3Very high96.2Very high4 Ų433.9 Ų33.93%0.02817%0.173CC..  trans-77.9167.4165.180.80000110.7E115 E116 I117S113-E115 WeakPolarHBondContact CB-OE2 3.42Å; S113-E115 PolarHBondContact O-N 3.31Å; S113-E115 PolarHBondContact OG-N 3Å; S113-E115 PolarHBondContact OG-OE2 3.38Å; S113-E116 PolarHBondContact N-OE2 3.46Å; S113-E116 PolarHBondContact O-N 3.36Å; S113-E116 PolarHBondContact OG-N 2.85Å; S113-I117 PolarHBondContact O-N 3.22Å; S113-I117 VanDerWaalsContact O-N 3.13Å
114A95.6Very high96.2Very high3 Ų335.1 Ų35.13%0.02518%0.178CC..Hα-helixtrans-64.7-32175.200000111.9L71 I72 S118L71-A114 HydrophobicContact CB-CB 3.67Å; I72-A114 HydrophobicContact CB-CB 4.38Å; A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 3.2Å; A114-S118 PolarHBondContact O-OG 2.73Å
115E95.7Very high96.3Very high15 Ų1530.7 Ų30.77%0.0716%0.157CC..Hα-helixtrans-65.1-43.5173.5-5780.6-17900111.2I72 S113 S118 S119 A155 A159 I162 L508I72-E115 HydrophobicContact CG1-CG 4.33Å; S113-E115 WeakPolarHBondContact CB-OE2 3.42Å; S113-E115 PolarHBondContact O-N 3.31Å; S113-E115 PolarHBondContact OG-N 3Å; S113-E115 PolarHBondContact OG-OE2 3.38Å; E115-S118 PolarHBondContact O-N 3.33Å; E115-S119 VanDerWaalsContact O-CB 3.28Å; E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.48Å; E115-A155 HydrophobicContact CG-CB 3.81Å; E115-A155 WeakPolarHBondContact CG-O 3.31Å; E115-A155 WeakPolarHBondContact OE1-CB 3.35Å; E115-A159 HydrophobicContact CB-CB 4.27Å; E115-I162 HydrophobicContact CB-CD1 4.17Å; E115-L508 HydrophobicContact CB-CD1 4.02Å; E115-L508 HydrophobicContact CG-CD1 4.16Å
116E96.4Very high96.3Very high16 Ų1631.6 Ų31.68%0.07516%0.161CC..Hα-helixtrans-60.5-47.7175.5-68.8174.192.200110.7K100 F112 S113 S118 S119 M120 M516K100-E116 IonicContact NZ-OE2 2.83Å; K100-E116 PolarHBondContact NZ-OE2 2.87Å; F112-E116 WeakPolarHBondContact CA-OE2 3.42Å; F112-E116 HydrophobicContact CB-CB 4.17Å; F112-E116 HydrophobicContact CD1-CB 4.18Å; S113-E116 PolarHBondContact N-OE2 3.46Å; S113-E116 PolarHBondContact O-N 3.36Å; S113-E116 PolarHBondContact OG-N 2.85Å; E116-S118 PolarHBondContact O-N 2.95Å; E116-S119 PolarHBondContact O-N 3.19Å; E116-S119 PolarHBondContact O-OG 3.23Å; E116-M120 WeakPolarHBondContact O-CG 3.43Å; E116-M120 PolarHBondContact O-N 3.4Å; E116-M516 VanDerWaalsContact CD-CE 3.49Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.87Å; E116-M516 HydrophobicContact CG-SD 3.52Å; E116-M516 VanDerWaalsContact CG-SD 3.52Å; E116-M516 VanDerWaalsContact OE2-CE 3.29Å; E116-M516 WeakPolarHBondContact OE2-CE 3.5Å
117I98Very high96.5Very high2 Ų230.8 Ų30.81%0.0116%0.159CC..Hα-helixtrans-63.2-44176.9-61.1-59.1000111.5V40 F42 V65 A68 I101 F112 S113 S119 M120 V121V40-I117 HydrophobicContact CB-CG2 4.21Å; V40-I117 HydrophobicContact CG2-CG2 3.88Å; F42-I117 HydrophobicContact CE2-CD1 3.77Å; F42-I117 HydrophobicContact CZ-CD1 3.65Å; V65-I117 HydrophobicContact CB-CG2 4.25Å; V65-I117 HydrophobicContact CG1-CG1 4.28Å; V65-I117 HydrophobicContact CG1-CG2 3.88Å; V65-I117 HydrophobicContact CG2-CD1 4.29Å; A68-I117 HydrophobicContact CB-CB 4.03Å; A68-I117 HydrophobicContact CB-CG2 3.53Å; I101-I117 HydrophobicContact CD1-CG1 3.8Å; F112-I117 HydrophobicContact CB-CD1 3.74Å; F112-I117 HydrophobicContact CB-CG1 3.98Å; F112-I117 HydrophobicContact CD2-CD1 4.2Å; F112-I117 HydrophobicContact CG-CD1 4.03Å; S113-I117 PolarHBondContact O-N 3.22Å; S113-I117 VanDerWaalsContact O-N 3.13Å; I117-S119 VanDerWaalsContact C-N 3.3Å; I117-S119 PolarHBondContact O-N 2.87Å; I117-M120 HydrophobicContact CD1-CE 4.4Å; I117-M120 HydrophobicContact CD1-SD 4.42Å; I117-M120 WeakPolarHBondContact O-CB 3.33Å; I117-M120 PolarHBondContact O-N 3.35Å; I117-V121 PolarHBondContact O-N 2.85Å
118S98Very high96.9Very high3 Ų328.9 Ų28.92%0.02114%0.137CC..Hα-helixtrans-65-35.6178.8-58.40000111.8A114 E115 E116 M120 V121 L122A114-S118 VanDerWaalsContact O-CB 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 3.2Å; A114-S118 PolarHBondContact O-OG 2.73Å; E115-S118 PolarHBondContact O-N 3.33Å; E116-S118 PolarHBondContact O-N 2.95Å; S118-M120 VanDerWaalsContact C-N 3.27Å; S118-M120 PolarHBondContact O-N 3.35Å; S118-V121 PolarHBondContact O-N 3.35Å; S118-L122 WeakPolarHBondContact O-CG 3.5Å; S118-L122 PolarHBondContact O-N 3.26Å
119S97.5Very high97Very high3 Ų323.5 Ų23.52%0.02111%0.112CC..Hα-helixtrans-63.9-31.8175.478.80000112.6E115 E116 I117 L122 T123 A159 I162 A163E115-S119 VanDerWaalsContact O-CB 3.28Å; E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.48Å; E116-S119 PolarHBondContact O-N 3.19Å; E116-S119 PolarHBondContact O-OG 3.23Å; I117-S119 VanDerWaalsContact C-N 3.3Å; I117-S119 PolarHBondContact O-N 2.87Å; S119-L122 PolarHBondContact O-N 2.91Å; S119-T123 WeakPolarHBondContact O-CB 3.08Å; S119-T123 PolarHBondContact O-N 2.89Å; S119-T123 PolarHBondContact O-OG1 2.99Å; S119-A159 WeakPolarHBondContact CB-O 3.36Å; S119-I162 VanDerWaalsContact OG-CG2 3.23Å; S119-I162 WeakPolarHBondContact OG-CG2 3Å; S119-A163 WeakPolarHBondContact O-CB 3.5Å
120M98.1Very high97Very high9 Ų919 Ų194%0.0449%0.093CC..Hα-helixtrans-67.3-41.2174.8-63.1175.7-159.100110.5V40 F42 R47 I49 F112 E116 I117 S118 T123 K124V40-M120 HydrophobicContact CG1-CB 4.42Å; V40-M120 HydrophobicContact CG1-SD 3.64Å; V40-M120 HydrophobicContact CG2-CB 4.08Å; F42-M120 HydrophobicContact CE1-CE 4.22Å; F42-M120 HydrophobicContact CE1-SD 4.15Å; F42-M120 HydrophobicContact CZ-CE 4.02Å; F42-M120 HydrophobicContact CZ-SD 3.82Å; R47-M120 PolarHBondContact NH1-SD 3.43Å; I49-M120 HydrophobicContact CD1-CB 3.95Å; F112-M120 HydrophobicContact CD1-CE 3.83Å; F112-M120 HydrophobicContact CE1-CE 3.79Å; F112-M120 HydrophobicContact CG-CE 4.44Å; F112-M120 HydrophobicContact CZ-CE 4.38Å; E116-M120 WeakPolarHBondContact O-CG 3.43Å; E116-M120 PolarHBondContact O-N 3.4Å; I117-M120 HydrophobicContact CD1-CE 4.4Å; I117-M120 HydrophobicContact CD1-SD 4.42Å; I117-M120 WeakPolarHBondContact O-CB 3.33Å; I117-M120 PolarHBondContact O-N 3.35Å; S118-M120 VanDerWaalsContact C-N 3.27Å; S118-M120 PolarHBondContact O-N 3.35Å; M120-T123 WeakPolarHBondContact O-CB 3.29Å; M120-T123 PolarHBondContact O-N 3.36Å; M120-K124 PolarHBondContact O-N 3.35Å
121V98.5Very high97Very high6 Ų621.6 Ų21.64%0.03612%0.117CC..Hα-helixtrans-63.6-44173.5-1780000111L9 S14 V40 I117 S118 T123 K124 M125L9-V121 HydrophobicContact CD1-CB 4.19Å; L9-V121 HydrophobicContact CD1-CG1 3.97Å; S14-V121 VanDerWaalsContact OG-CG1 3.32Å; S14-V121 WeakPolarHBondContact OG-CG1 3.47Å; V40-V121 HydrophobicContact CG2-CG2 3.86Å; I117-V121 PolarHBondContact O-N 2.85Å; S118-V121 PolarHBondContact O-N 3.35Å; V121-T123 VanDerWaalsContact C-N 3.32Å; V121-T123 PolarHBondContact O-N 3.34Å; V121-K124 WeakPolarHBondContact O-CB 3.48Å; V121-K124 PolarHBondContact O-N 2.83Å; V121-M125 WeakPolarHBondContact O-CG 3.49Å; V121-M125 PolarHBondContact O-N 2.83Å
122L98.4Very high97Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-62.5-38.1175.4-68.6172.7000112.4I7 L9 S118 S119 K124 M125 K126 I142 A159 A163 L165I7-L122 HydrophobicContact CD1-CD2 3.99Å; I7-L122 HydrophobicContact CG2-CD2 3.84Å; L9-L122 HydrophobicContact CB-CD2 4.29Å; L9-L122 HydrophobicContact CD1-CD2 4.07Å; L9-L122 HydrophobicContact CD1-CG 4.19Å; L9-L122 HydrophobicContact CD2-CD1 4.39Å; L9-L122 HydrophobicContact CD2-CD2 4.31Å; L9-L122 HydrophobicContact CD2-CG 4.38Å; L9-L122 HydrophobicContact CG-CD2 4.45Å; S118-L122 WeakPolarHBondContact O-CG 3.5Å; S118-L122 PolarHBondContact O-N 3.26Å; S119-L122 PolarHBondContact O-N 2.91Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-M125 PolarHBondContact O-N 2.79Å; L122-K126 WeakPolarHBondContact O-CB 3.26Å; L122-K126 PolarHBondContact O-N 2.89Å; L122-I142 HydrophobicContact CD1-CD1 3.93Å; L122-I142 HydrophobicContact CD2-CD1 4Å; L122-I142 HydrophobicContact CD2-CG1 4.45Å; L122-I142 HydrophobicContact CD2-CG2 4.38Å; L122-A159 HydrophobicContact CD1-CB 3.95Å; L122-A163 HydrophobicContact CB-CB 3.73Å; L122-L165 HydrophobicContact CB-CD1 4.4Å
123T97.1Very high96.9Very high26 Ų2624.2 Ų24.216%0.1613%0.125CC..Hα-helixtrans-61.3-43.9174-59.10000110.3S119 M120 V121 M125 K126 E127S119-T123 WeakPolarHBondContact O-CB 3.08Å; S119-T123 PolarHBondContact O-N 2.89Å; S119-T123 PolarHBondContact O-OG1 2.99Å; M120-T123 WeakPolarHBondContact O-CB 3.29Å; M120-T123 PolarHBondContact O-N 3.36Å; V121-T123 VanDerWaalsContact C-N 3.32Å; V121-T123 PolarHBondContact O-N 3.34Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.01Å; T123-K126 WeakPolarHBondContact O-CB 3.46Å; T123-K126 PolarHBondContact O-N 3.17Å; T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.26Å
124K97.6Very high96.9Very high31 Ų3127.5 Ų27.514%0.13516%0.16CC..Hα-helixtrans-61.9-39.9174.3-177.561.2177.4179.50112.3D30 T36 I49 M120 V121 L122 K126 E127 V128D30-K124 VanDerWaalsContact OD1-CE 3.25Å; D30-K124 WeakPolarHBondContact OD1-CE 3.48Å; D30-K124 IonicContact OD1-NZ 3.05Å; D30-K124 PolarHBondContact OD1-NZ 3.36Å; D30-K124 IonicContact OD2-NZ 3.16Å; T36-K124 HydrophobicContact CG2-CG 4.39Å; I49-K124 HydrophobicContact CB-CB 4.26Å; I49-K124 HydrophobicContact CB-CG 4.39Å; I49-K124 HydrophobicContact CG2-CB 3.62Å; I49-K124 HydrophobicContact CG2-CG 3.96Å; M120-K124 PolarHBondContact O-N 3.35Å; V121-K124 WeakPolarHBondContact O-CB 3.48Å; V121-K124 PolarHBondContact O-N 2.83Å; L122-K124 VanDerWaalsContact C-N 3.33Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-E127 PolarHBondContact O-N 3.39Å; K124-V128 VanDerWaalsContact O-CG2 3.3Å; K124-V128 WeakPolarHBondContact O-CG2 3.25Å; K124-V128 PolarHBondContact O-N 3.22Å
125M98.4Very high96.8Very high0 Ų030.5 Ų30.50%017%0.17CC..Hα-helixtrans-65.4-39.9176.5-66.4-56.892.200111.8I7 V16 T36 V121 L122 T123 V128 A129I7-M125 HydrophobicContact CD1-CB 4.14Å; I7-M125 HydrophobicContact CG1-CB 4.4Å; I7-M125 HydrophobicContact CG2-CB 4.18Å; I7-M125 HydrophobicContact CG2-CG 3.96Å; V16-M125 HydrophobicContact CB-CB 4.2Å; V16-M125 HydrophobicContact CB-SD 4.14Å; V16-M125 HydrophobicContact CG1-CB 4.48Å; V16-M125 HydrophobicContact CG1-SD 4.04Å; T36-M125 HydrophobicContact CG2-CE 3.64Å; T36-M125 WeakPolarHBondContact OG1-CE 3.15Å; V121-M125 WeakPolarHBondContact O-CG 3.49Å; V121-M125 PolarHBondContact O-N 2.83Å; L122-M125 PolarHBondContact O-N 2.79Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 3.01Å; M125-V128 PolarHBondContact O-N 2.97Å; M125-A129 PolarHBondContact O-N 3.45Å
126K97.3Very high96.7Very high23 Ų2334.5 Ų34.510%0.120%0.196CC..Hα-helixtrans-59.6-49.7171.6174.6-180176165.70111.2L122 T123 K124 V128 A129 E130 V137 G164 L165L122-K126 WeakPolarHBondContact O-CB 3.26Å; L122-K126 PolarHBondContact O-N 2.89Å; T123-K126 WeakPolarHBondContact O-CB 3.46Å; T123-K126 PolarHBondContact O-N 3.17Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 3.48Å; K126-A129 PolarHBondContact O-N 3.07Å; K126-A129 VanDerWaalsContact O-N 3.16Å; K126-E130 WeakPolarHBondContact CE-OE1 3.13Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 WeakPolarHBondContact O-CB 3.42Å; K126-E130 VanDerWaalsContact O-CG 3.29Å; K126-E130 WeakPolarHBondContact O-CG 3.31Å; K126-E130 PolarHBondContact O-N 3.46Å; K126-V137 WeakPolarHBondContact CE-O 3.28Å; K126-V137 HydrophobicContact CG-CB 4.33Å; K126-V137 PolarHBondContact NZ-O 3.04Å; K126-G164 PolarHBondContact NZ-O 3.07Å; K126-L165 HydrophobicContact CB-CD2 4.36Å; K126-L165 HydrophobicContact CD-CD2 3.88Å; K126-L165 HydrophobicContact CD-CG 4.3Å; K126-L165 HydrophobicContact CG-CD2 4.22Å
127E95.9Very high96.7Very high70 Ų7033.8 Ų33.833%0.32719%0.192SC..Hα-helixtrans-59.4-42.7178.5-73.1171.3176.600112.8T123 K124 A129 E130 S131T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.26Å; K124-E127 PolarHBondContact O-N 3.39Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.9Å; E127-E130 PolarHBondContact O-N 2.94Å; E127-S131 WeakPolarHBondContact O-CB 3.45Å; E127-S131 PolarHBondContact O-N 3.38Å
128V97.8Very high96.6Very high10 Ų1035.9 Ų35.96%0.06121%0.207CC..Hα-helixtrans-58.8-46.4175.3167.40000110.4V16 I27 A28 N29 K124 M125 K126 Y132V16-V128 HydrophobicContact CG1-CB 4.32Å; V16-V128 HydrophobicContact CG1-CG1 3.88Å; I27-V128 HydrophobicContact CB-CG1 4.17Å; I27-V128 HydrophobicContact CG2-CG1 3.63Å; A28-V128 WeakPolarHBondContact O-CG1 3.42Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.85Å; K124-V128 VanDerWaalsContact O-CG2 3.3Å; K124-V128 WeakPolarHBondContact O-CG2 3.25Å; K124-V128 PolarHBondContact O-N 3.22Å; M125-V128 PolarHBondContact O-N 2.97Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 3.48Å; V128-Y132 PolarHBondContact O-N 2.87Å
129A97.4Very high96.6Very high0 Ų037.4 Ų37.40%022%0.215CC..Hα-helixtrans-66.3-42.6176.700000113I5 V16 I27 M125 K126 E127 S131 Y132 L133 V137I5-A129 HydrophobicContact CD1-CB 4.08Å; I5-A129 HydrophobicContact CG2-CB 3.84Å; V16-A129 HydrophobicContact CG2-CB 4.17Å; I27-A129 HydrophobicContact CD1-CB 3.87Å; M125-A129 PolarHBondContact O-N 3.45Å; K126-A129 PolarHBondContact O-N 3.07Å; K126-A129 VanDerWaalsContact O-N 3.16Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.9Å; A129-S131 VanDerWaalsContact C-N 3.34Å; A129-S131 PolarHBondContact O-N 3.47Å; A129-Y132 PolarHBondContact O-N 3.19Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.5Å; A129-L133 PolarHBondContact O-N 3.26Å; A129-V137 HydrophobicContact CB-CG2 4.16Å
130E96.2Very high96.6Very high36 Ų3637.2 Ų37.217%0.16821%0.214CC..Hα-helixtrans-62.5-40.9178.1-72.3-177.8157.700111.7K126 E127 Y132 L133 G134 R135 T136 V137K126-E130 WeakPolarHBondContact CE-OE1 3.13Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 WeakPolarHBondContact O-CB 3.42Å; K126-E130 VanDerWaalsContact O-CG 3.29Å; K126-E130 WeakPolarHBondContact O-CG 3.31Å; K126-E130 PolarHBondContact O-N 3.46Å; E127-E130 PolarHBondContact O-N 2.94Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 3.32Å; E130-L133 PolarHBondContact O-N 3.35Å; E130-G134 WeakPolarHBondContact O-CA 2.92Å; E130-G134 PolarHBondContact O-N 2.85Å; E130-R135 WeakPolarHBondContact CA-O 3.5Å; E130-R135 WeakPolarHBondContact CG-O 3.46Å; E130-T136 WeakPolarHBondContact OE1-CA 3.48Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.44Å; E130-V137 HydrophobicContact CG-CB 3.88Å; E130-V137 HydrophobicContact CG-CG2 3.74Å; E130-V137 PolarHBondContact OE1-N 3.3Å
131S95.7Very high96.6Very high106 Ų10636.8 Ų36.874%0.74121%0.212SC*.Hα-helixtrans-62.3-39.8175.9-173.20000112E127 A129E127-S131 WeakPolarHBondContact O-CB 3.45Å; E127-S131 PolarHBondContact O-N 3.38Å; A129-S131 VanDerWaalsContact C-N 3.34Å; A129-S131 PolarHBondContact O-N 3.47Å
132Y95.8Very high96.6Very high118 Ų11836.5 Ų36.546%0.46321%0.21SC..Hα-helixtrans-72.1-41.3176.8175.6-96.7000112.3V18 I27 V128 A129 E130V18-Y132 HydrophobicContact CG1-CD1 4.43Å; V18-Y132 HydrophobicContact CG1-CE1 4.09Å; I27-Y132 HydrophobicContact CD1-CD1 3.84Å; I27-Y132 HydrophobicContact CD1-CG 4.19Å; I27-Y132 HydrophobicContact CG1-CD1 4.09Å; I27-Y132 HydrophobicContact CG1-CG 4.25Å; I27-Y132 VanDerWaalsContact CG2-CB 3.48Å; I27-Y132 HydrophobicContact CG2-CD1 4.44Å; I27-Y132 HydrophobicContact CG2-CD2 4.09Å; I27-Y132 HydrophobicContact CG2-CG 3.77Å; V128-Y132 PolarHBondContact O-N 2.87Å; A129-Y132 PolarHBondContact O-N 3.19Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 3.32Å
133L94.9Very high96.6Very high27 Ų2736.5 Ų36.514%0.14121%0.21CC..Hα-helixtrans-81.7-19-175.1-67.5174.8000114I5 V18 A129 E130 R135 V137I5-L133 HydrophobicContact CG2-CD1 4.5Å; V18-L133 HydrophobicContact CG1-CD2 4.34Å; V18-L133 HydrophobicContact CG2-CD1 4.42Å; V18-L133 HydrophobicContact CG2-CD2 4.3Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.5Å; A129-L133 PolarHBondContact O-N 3.26Å; E130-L133 PolarHBondContact O-N 3.35Å; L133-R135 HydrophobicContact CB-CG 4.11Å; L133-R135 PolarHBondContact O-N 3.3Å; L133-V137 HydrophobicContact CD1-CG2 3.63Å
134G94.4Very high96.5Very high73 Ų7335.3 Ų35.375%0.75320%0.203SC*.THydrogen-bonded Turntrans66.421.1-17500000113.9E130E130-G134 WeakPolarHBondContact O-CA 2.92Å; E130-G134 PolarHBondContact O-N 2.85Å
135R94.3Very high96.3Very high67 Ų6733.8 Ų33.825%0.25320%0.196SC..SBendtrans-154.5160.9-179.368.8-178-169.5-132.80.4111.6M1 P2 N3 E130 L133M1-R135 VanDerWaalsContact CB-NH2 3.3Å; M1-R135 PolarHBondContact SD-NH1 3.36Å; P2-R135 PolarHBondContact O-NH2 2.84Å; N3-R135 PolarHBondContact OD1-NE 2.93Å; N3-R135 PolarHBondContact OD1-NH2 3.34Å; E130-R135 WeakPolarHBondContact CA-O 3.5Å; E130-R135 WeakPolarHBondContact CG-O 3.46Å; L133-R135 HydrophobicContact CB-CG 4.11Å; L133-R135 PolarHBondContact O-N 3.3Å
136T94.1Very high95.8Very high99 Ų9933.8 Ų33.861%0.60720%0.196SC*.  trans-63.2137.2176.6-530000112.4N3 E130N3-T136 PolarHBondContact ND2-O 2.93Å; E130-T136 WeakPolarHBondContact OE1-CA 3.48Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.44Å
137V96.1Very high95.1Very high0 Ų034.1 Ų34.10%020%0.197CC..  trans-104.6124.4175.6172.60000108.9I5 K126 A129 E130 L133 L165I5-V137 HydrophobicContact CB-CG1 4.42Å; I5-V137 HydrophobicContact CD1-CG1 3.73Å; I5-V137 HydrophobicContact CG1-CG1 3.73Å; I5-V137 HydrophobicContact CG2-CG1 3.9Å; I5-V137 HydrophobicContact CG2-CG2 4.31Å; K126-V137 WeakPolarHBondContact CE-O 3.28Å; K126-V137 HydrophobicContact CG-CB 4.33Å; K126-V137 PolarHBondContact NZ-O 3.04Å; A129-V137 HydrophobicContact CB-CG2 4.16Å; E130-V137 HydrophobicContact CG-CB 3.88Å; E130-V137 HydrophobicContact CG-CG2 3.74Å; E130-V137 PolarHBondContact OE1-N 3.3Å; L133-V137 HydrophobicContact CD1-CG2 3.63Å; V137-L165 HydrophobicContact CG1-CD2 4.26Å
138S95.2Very high94.6Very high46 Ų4631 Ų3132%0.32218%0.182SC..  trans-109.9-29.9-175.846.30000113.1N3 N166N3-S138 PolarHBondContact O-N 2.85Å; S138-N166 WeakPolarHBondContact O-CB 3.28Å; S138-N166 PolarHBondContact O-N 2.96Å
139D97.6Very high93.8Very high35 Ų3531.6 Ų31.619%0.18719%0.185CC..EExtended strand (participates in β ladder)trans-118.2144.3-167.3-58.6-76.6000110.5N3 A4 I5 N166 L168N3-D139 PolarHBondContact O-N 2.9Å; N3-D139 VanDerWaalsContact O-N 3.15Å; A4-D139 VanDerWaalsContact CA-O 3.28Å; A4-D139 WeakPolarHBondContact CA-O 3.29Å; A4-D139 HydrophobicContact CB-CB 3.88Å; I5-D139 PolarHBondContact N-O 3.48Å; I5-D139 VanDerWaalsContact N-O 3.1Å; D139-N166 WeakPolarHBondContact CA-O 3.49Å; D139-N166 WeakPolarHBondContact OD1-CB 3.47Å; D139-N166 PolarHBondContact OD1-ND2 3.18Å; D139-L168 HydrophobicContact CB-CD1 3.89Å; D139-L168 HydrophobicContact CB-CD2 4.24Å; D139-L168 HydrophobicContact CB-CG 3.97Å
140A98.3Very high93.1Very high0 Ų031.9 Ų31.90%019%0.187CC..EExtended strand (participates in β ladder)trans-146.2147.2178.200000112.7I5 I7 I142 L165 N166 V167 L168I5-A140 HydrophobicContact CG1-CB 4.09Å; I5-A140 CarbonylContact O-C 3.28Å; I5-A140 VanDerWaalsContact O-CA 3.29Å; I5-A140 WeakPolarHBondContact O-CA 3.33Å; I7-A140 HydrophobicContact CD1-CB 4.16Å; A140-I142 HydrophobicContact CB-CG1 4.25Å; A140-L165 HydrophobicContact CB-CB 4.3Å; A140-L165 HydrophobicContact CB-CD1 4.05Å; A140-L165 HydrophobicContact CB-CD2 4.22Å; A140-L165 HydrophobicContact CB-CG 4.43Å; A140-N166 PolarHBondContact N-O 3.41Å; A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.46Å; A140-L168 PolarHBondContact O-N 3.48Å
141V98.4Very high92.6Very high0 Ų030.4 Ų30.40%018%0.18CC..EExtended strand (participates in β ladder)trans-103.2126.2157.4173.70000107.2I5 I7 L168 R169 I171 A371 Q374 A375 L378I5-V141 PolarHBondContact O-N 3.46Å; I7-V141 PolarHBondContact N-O 2.8Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; V141-R169 WeakPolarHBondContact CA-O 3.29Å; V141-R169 HydrophobicContact CG1-CB 4.48Å; V141-R169 HydrophobicContact CG2-CB 4.23Å; V141-I171 HydrophobicContact CG1-CB 4.21Å; V141-I171 HydrophobicContact CG1-CG2 3.58Å; V141-A371 HydrophobicContact CG1-CB 4.26Å; V141-Q374 HydrophobicContact CG1-CB 4.24Å; V141-Q374 HydrophobicContact CG1-CG 4.17Å; V141-Q374 HydrophobicContact CG2-CB 4.48Å; V141-Q374 HydrophobicContact CG2-CG 4.27Å; V141-A375 HydrophobicContact CB-CB 4.14Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; V141-L378 HydrophobicContact CG2-CD1 3.89Å
142I98.6Very high92.4Very high0 Ų025.5 Ų25.50%015%0.146CC..EExtended strand (participates in β ladder)trans-114.8134.6-177.7-55174.8000108.5I7 L9 L122 A140 T156 V167 R169 I170 I171I7-I142 WeakPolarHBondContact O-CA 3.41Å; L9-I142 HydrophobicContact CB-CG2 4.03Å; L122-I142 HydrophobicContact CD1-CD1 3.93Å; L122-I142 HydrophobicContact CD2-CD1 4Å; L122-I142 HydrophobicContact CD2-CG1 4.45Å; L122-I142 HydrophobicContact CD2-CG2 4.38Å; A140-I142 HydrophobicContact CB-CG1 4.25Å; I142-T156 HydrophobicContact CB-CG2 4.42Å; I142-T156 HydrophobicContact CG2-CG2 3.64Å; I142-V167 HydrophobicContact CD1-CG1 4.32Å; I142-V167 HydrophobicContact CD1-CG2 3.79Å; I142-V167 HydrophobicContact CG1-CG1 4.46Å; I142-R169 PolarHBondContact N-O 3.13Å; I142-I170 HydrophobicContact CB-CD1 4.06Å; I142-I170 WeakPolarHBondContact O-CA 3.37Å; I142-I171 PolarHBondContact O-N 3.33Å; I142-I171 VanDerWaalsContact O-N 3.11Å
143T97.7Very high92.2Very high0 Ų020.2 Ų20.20%013%0.125CC..EExtended strand (participates in β ladder)trans-87153179.267.10000112.6I7 D8 I171 A176 V367 A371I7-T143 PolarHBondContact O-N 2.87Å; I7-T143 PolarHBondContact O-OG1 3.2Å; D8-T143 WeakPolarHBondContact CA-OG1 3.33Å; D8-T143 PolarHBondContact OD1-OG1 3.47Å; D8-T143 VanDerWaalsContact OD1-OG1 3.11Å; T143-I171 CarbonylContact C-O 3.58Å; T143-I171 VanDerWaalsContact CA-O 3.25Å; T143-I171 WeakPolarHBondContact CA-O 2.93Å; T143-I171 HydrophobicContact CG2-CG2 3.71Å; T143-A176 HydrophobicContact CG2-CB 4.16Å; T143-V367 HydrophobicContact CG2-CG1 3.42Å; T143-V367 VanDerWaalsContact CG2-CG1 3.42Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.49Å; T143-A371 HydrophobicContact CG2-CB 3.66Å
144V95.3Very high91.9Very high0 Ų020.2 Ų20.20%012%0.124CC..EExtended strand (participates in β ladder)trans-140.8155.6171.3-65.80000111F148 R153 T156 I170 I171 N172 E173V144-F148 HydrophobicContact CB-CB 4.38Å; V144-F148 HydrophobicContact CB-CD2 3.72Å; V144-F148 HydrophobicContact CB-CE2 4.34Å; V144-F148 HydrophobicContact CB-CG 4.2Å; V144-F148 HydrophobicContact CG1-CD2 3.86Å; V144-F148 HydrophobicContact CG1-CE2 4.26Å; V144-F148 HydrophobicContact CG2-CB 4.47Å; V144-R153 HydrophobicContact CG2-CG 4.29Å; V144-T156 HydrophobicContact CG1-CG2 3.79Å; V144-I170 HydrophobicContact CB-CG2 4.19Å; V144-I170 HydrophobicContact CG1-CG2 3.72Å; V144-I170 HydrophobicContact CG2-CG2 3.39Å; V144-I171 PolarHBondContact N-O 3.37Å; V144-N172 CarbonylContact O-C 3.48Å; V144-N172 VanDerWaalsContact O-CA 3.31Å; V144-N172 WeakPolarHBondContact O-CA 3.2Å; V144-E173 VanDerWaalsContact C-CD 3.45Å; V144-E173 WeakPolarHBondContact CA-OE1 3.12Å; V144-E173 WeakPolarHBondContact O-CG 3.28Å; V144-E173 PolarHBondContact O-N 3.49Å
145P92.3Very high91.8Very high0 Ų016.8 Ų16.80%09%0.089CC..  trans-56.6145.3171.4-26.437.6000110.8Y147 F148 E173 T202 D204P145-Y147 PolarHBondContact O-N 2.99Å; P145-F148 HydrophobicContact CB-CD1 3.69Å; P145-F148 HydrophobicContact CB-CE1 3.96Å; P145-F148 HydrophobicContact CB-CG 4.35Å; P145-F148 HydrophobicContact CG-CD1 3.66Å; P145-F148 HydrophobicContact CG-CE1 3.44Å; P145-F148 VanDerWaalsContact CG-CE1 3.44Å; P145-F148 HydrophobicContact CG-CG 4.33Å; P145-F148 HydrophobicContact CG-CZ 3.93Å; P145-F148 WeakPolarHBondContact O-CB 3.3Å; P145-F148 PolarHBondContact O-N 3.47Å; P145-F148 VanDerWaalsContact O-N 3.07Å; P145-E173 WeakPolarHBondContact CD-OE1 3.46Å; P145-E173 VanDerWaalsContact N-OE1 3.08Å; P145-T202 HydrophobicContact CB-CG2 4.27Å; P145-T202 HydrophobicContact CG-CG2 3.79Å; P145-D204 WeakPolarHBondContact CB-OD2 3.44Å
146A88Confident91.9Very high0 Ų013.7 Ų13.70%08%0.077CC..THydrogen-bonded Turntrans-61.5-35.7-17700000111.6F148 R153 N172 P174 D204 T220 P396A146-F148 VanDerWaalsContact C-N 3.25Å; A146-F148 PolarHBondContact O-N 2.7Å; A146-R153 PolarHBondContact O-NH2 3.33Å; A146-N172 HydrophobicContact CB-CB 4.35Å; A146-P174 HydrophobicContact CB-CG 3.82Å; A146-D204 PolarHBondContact N-OD1 3.48Å; A146-T220 HydrophobicContact CB-CG2 4.44Å; A146-T220 VanDerWaalsContact CB-OG1 3.3Å; A146-T220 WeakPolarHBondContact CB-OG1 3.38Å; A146-P396 WeakPolarHBondContact O-CG 3.5Å
147Y82.4Confident91.9Very high29 Ų2912.1 Ų12.111%0.1146%0.062CC..THydrogen-bonded Turntrans-774.3177.8-94.7-118.2000115.6P145 N149 D204 T220 A221 K317 P396 L397P145-Y147 PolarHBondContact O-N 2.99Å; Y147-N149 PolarHBondContact O-N 3.08Å; Y147-D204 PolarHBondContact N-OD1 2.79Å; Y147-T220 HydrophobicContact CE2-CG2 4.3Å; Y147-T220 PolarHBondContact OH-O 3.31Å; Y147-A221 VanDerWaalsContact CE2-C 3.4Å; Y147-K317 PolarHBondContact OH-NZ 3.41Å; Y147-P396 HydrophobicContact CD2-CB 3.9Å; Y147-P396 HydrophobicContact CE2-CB 3.88Å; Y147-P396 HydrophobicContact CG-CB 4.42Å; Y147-L397 HydrophobicContact CE1-CD2 4.13Å; Y147-L397 HydrophobicContact CE1-CG 4.36Å
148F86.5Confident91.7Very high5 Ų512.7 Ų12.72%0.0227%0.065CC..  trans-64.9132.3171.8-90.724.5000111.3K69 I72 V144 P145 A146 Q152 R153K69-F148 HydrophobicContact CG-CZ 4.09Å; I72-F148 HydrophobicContact CG2-CE2 3.71Å; I72-F148 HydrophobicContact CG2-CZ 3.93Å; V144-F148 HydrophobicContact CB-CB 4.38Å; V144-F148 HydrophobicContact CB-CD2 3.72Å; V144-F148 HydrophobicContact CB-CE2 4.34Å; V144-F148 HydrophobicContact CB-CG 4.2Å; V144-F148 HydrophobicContact CG1-CD2 3.86Å; V144-F148 HydrophobicContact CG1-CE2 4.26Å; V144-F148 HydrophobicContact CG2-CB 4.47Å; P145-F148 HydrophobicContact CB-CD1 3.69Å; P145-F148 HydrophobicContact CB-CE1 3.96Å; P145-F148 HydrophobicContact CB-CG 4.35Å; P145-F148 HydrophobicContact CG-CD1 3.66Å; P145-F148 HydrophobicContact CG-CE1 3.44Å; P145-F148 VanDerWaalsContact CG-CE1 3.44Å; P145-F148 HydrophobicContact CG-CG 4.33Å; P145-F148 HydrophobicContact CG-CZ 3.93Å; P145-F148 WeakPolarHBondContact O-CB 3.3Å; P145-F148 PolarHBondContact O-N 3.47Å; P145-F148 VanDerWaalsContact O-N 3.07Å; A146-F148 VanDerWaalsContact C-N 3.25Å; A146-F148 PolarHBondContact O-N 2.7Å; F148-Q152 HydrophobicContact CB-CB 4.04Å; F148-Q152 HydrophobicContact CD1-CB 4.42Å; F148-Q152 HydrophobicContact CD2-CB 3.46Å; F148-Q152 VanDerWaalsContact CD2-CB 3.46Å; F148-Q152 HydrophobicContact CE2-CB 3.91Å; F148-Q152 HydrophobicContact CG-CB 3.74Å; F148-R153 HydrophobicContact CB-CG 4.11Å; F148-R153 PolarHBondContact O-NE 3.49Å; F148-R153 PolarHBondContact O-NH2 2.94Å
149N81.4Confident91.8Very high23 Ų2310.5 Ų10.512%0.1235%0.05CC..  trans-80.6-179.6173.666.933.8000112.5Y147 S151 Q152 R153 E442 L454Y147-N149 PolarHBondContact O-N 3.08Å; N149-S151 VanDerWaalsContact C-N 3.3Å; N149-S151 PolarHBondContact O-N 2.75Å; N149-S151 WeakPolarHBondContact OD1-CB 3.44Å; N149-S151 PolarHBondContact OD1-N 3.35Å; N149-S151 VanDerWaalsContact OD1-N 3.09Å; N149-Q152 VanDerWaalsContact N-OE1 3.12Å; N149-Q152 PolarHBondContact O-N 3.46Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.46Å; N149-Q152 PolarHBondContact OD1-N 3.06Å; N149-R153 WeakPolarHBondContact O-CB 3.4Å; N149-R153 VanDerWaalsContact O-CG 3.26Å; N149-R153 WeakPolarHBondContact O-CG 3.28Å; N149-R153 PolarHBondContact O-N 2.81Å; N149-E442 WeakPolarHBondContact CB-OE2 3.43Å; N149-L454 HydrophobicContact CB-CD2 4.32Å
150D82.9Confident91.7Very high5 Ų58.8 Ų8.83%0.0274%0.041CC..Hα-helixtrans-57.5-40.9-178.273.9-35.8000113.1R153 Q154 L484D150-R153 PolarHBondContact O-N 3.07Å; D150-Q154 WeakPolarHBondContact O-CB 3.42Å; D150-Q154 PolarHBondContact O-N 2.94Å; D150-L484 HydrophobicContact CB-CB 4.38Å
151S85.7Confident91.5Very high5 Ų510.8 Ų10.84%0.0356%0.057CC..Hα-helixtrans-69.9-41.1-176.3-61.50000110.5N149 A155 N503N149-S151 VanDerWaalsContact C-N 3.3Å; N149-S151 PolarHBondContact O-N 2.75Å; N149-S151 WeakPolarHBondContact OD1-CB 3.44Å; N149-S151 PolarHBondContact OD1-N 3.35Å; N149-S151 VanDerWaalsContact OD1-N 3.09Å; S151-A155 VanDerWaalsContact O-CB 3.23Å; S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 2.96Å; S151-N503 WeakPolarHBondContact OG-CB 3.38Å; S151-N503 PolarHBondContact OG-ND2 3.47Å; S151-N503 VanDerWaalsContact OG-ND2 3.08Å
152Q90.1Very high91.3Very high4 Ų411 Ų112%0.0196%0.058CC..Hα-helixtrans-69.7-43.1175.8-60.2175.4-77.400111.7I72 F148 N149 Q154 A155 T156I72-Q152 WeakPolarHBondContact O-CG 3.48Å; F148-Q152 HydrophobicContact CB-CB 4.04Å; F148-Q152 HydrophobicContact CD1-CB 4.42Å; F148-Q152 HydrophobicContact CD2-CB 3.46Å; F148-Q152 VanDerWaalsContact CD2-CB 3.46Å; F148-Q152 HydrophobicContact CE2-CB 3.91Å; F148-Q152 HydrophobicContact CG-CB 3.74Å; N149-Q152 VanDerWaalsContact N-OE1 3.12Å; N149-Q152 PolarHBondContact O-N 3.46Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.46Å; N149-Q152 PolarHBondContact OD1-N 3.06Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.37Å; Q152-A155 PolarHBondContact O-N 2.89Å; Q152-T156 PolarHBondContact O-N 3.14Å; Q152-T156 PolarHBondContact O-OG1 3.45Å; Q152-T156 VanDerWaalsContact O-OG1 3.12Å
153R91.5Very high91.2Very high6 Ų611.4 Ų11.42%0.0236%0.061CC..Hα-helixtrans-60.4-44.1175.3-72.8169.4-176.7-79.2-9.7111.8V144 A146 F148 N149 D150 T156 K157 I170 N172 N481V144-R153 HydrophobicContact CG2-CG 4.29Å; A146-R153 PolarHBondContact O-NH2 3.33Å; F148-R153 HydrophobicContact CB-CG 4.11Å; F148-R153 PolarHBondContact O-NE 3.49Å; F148-R153 PolarHBondContact O-NH2 2.94Å; N149-R153 WeakPolarHBondContact O-CB 3.4Å; N149-R153 VanDerWaalsContact O-CG 3.26Å; N149-R153 WeakPolarHBondContact O-CG 3.28Å; N149-R153 PolarHBondContact O-N 2.81Å; D150-R153 PolarHBondContact O-N 3.07Å; R153-T156 PolarHBondContact O-N 3.19Å; R153-K157 PolarHBondContact O-N 2.69Å; R153-K157 VanDerWaalsContact O-N 3.09Å; R153-I170 HydrophobicContact CG-CG2 4.46Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 3.21Å; R153-N172 PolarHBondContact NH2-OD1 3.26Å; R153-N481 WeakPolarHBondContact CD-O 3.48Å; R153-N481 PolarHBondContact NH1-O 2.9Å
154Q89.8Confident91Very high27 Ų2713.3 Ų13.313%0.1268%0.082CC..Hα-helixtrans-63.8-48.5174.2-174.774.539.600111D150 Q152 T156 K157 D158 R507D150-Q154 WeakPolarHBondContact O-CB 3.42Å; D150-Q154 PolarHBondContact O-N 2.94Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.37Å; Q154-T156 PolarHBondContact O-N 2.62Å; Q154-K157 CarbonylContact O-C 3.52Å; Q154-K157 WeakPolarHBondContact O-CA 3.33Å; Q154-K157 VanDerWaalsContact O-CB 3.3Å; Q154-K157 WeakPolarHBondContact O-CB 3.02Å; Q154-K157 PolarHBondContact O-N 3.26Å; Q154-D158 PolarHBondContact NE2-OD1 3.4Å; Q154-D158 PolarHBondContact O-N 3.21Å; Q154-R507 VanDerWaalsContact CG-CZ 3.44Å
155A92.4Very high91.1Very high2 Ų213.7 Ų13.72%0.0178%0.084CC..Hα-helixtrans-58.2-35.9-178.200000111.8I72 E115 S151 Q152 D158 A159I72-A155 HydrophobicContact CD1-CB 4.34Å; I72-A155 HydrophobicContact CG1-CB 3.56Å; E115-A155 HydrophobicContact CG-CB 3.81Å; E115-A155 WeakPolarHBondContact CG-O 3.31Å; E115-A155 WeakPolarHBondContact OE1-CB 3.35Å; S151-A155 VanDerWaalsContact O-CB 3.23Å; S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 2.96Å; Q152-A155 PolarHBondContact O-N 2.89Å; A155-D158 PolarHBondContact O-N 3.32Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.94Å
156T95.2Very high91.3Very high1 Ų118.2 Ų18.21%0.00611%0.108CC..Hα-helixtrans-63.8-42.8169.8-57.20000112.4L9 I142 V144 Q152 R153 Q154 D158 A159 G160 I170L9-T156 HydrophobicContact CD2-CG2 4.21Å; I142-T156 HydrophobicContact CB-CG2 4.42Å; I142-T156 HydrophobicContact CG2-CG2 3.64Å; V144-T156 HydrophobicContact CG1-CG2 3.79Å; Q152-T156 PolarHBondContact O-N 3.14Å; Q152-T156 PolarHBondContact O-OG1 3.45Å; Q152-T156 VanDerWaalsContact O-OG1 3.12Å; R153-T156 PolarHBondContact O-N 3.19Å; Q154-T156 PolarHBondContact O-N 2.62Å; T156-D158 VanDerWaalsContact C-N 3.34Å; T156-A159 WeakPolarHBondContact O-CB 3.22Å; T156-A159 PolarHBondContact O-N 2.83Å; T156-G160 PolarHBondContact O-N 3.23Å; T156-I170 HydrophobicContact CG2-CD1 3.96Å
157K93.7Very high91.7Very high67 Ų6718.8 Ų18.829%0.29111%0.111SC..Hα-helixtrans-62.9-41.2175.5-172.9174.3-177.51730112R153 Q154 G160 A161 V167 I170 I483R153-K157 PolarHBondContact O-N 2.69Å; R153-K157 VanDerWaalsContact O-N 3.09Å; Q154-K157 CarbonylContact O-C 3.52Å; Q154-K157 WeakPolarHBondContact O-CA 3.33Å; Q154-K157 VanDerWaalsContact O-CB 3.3Å; Q154-K157 WeakPolarHBondContact O-CB 3.02Å; Q154-K157 PolarHBondContact O-N 3.26Å; K157-G160 PolarHBondContact O-N 3.21Å; K157-A161 PolarHBondContact O-N 3.43Å; K157-V167 HydrophobicContact CG-CB 4.15Å; K157-V167 HydrophobicContact CG-CG1 4.34Å; K157-V167 HydrophobicContact CG-CG2 4.44Å; K157-I170 HydrophobicContact CB-CD1 4.39Å; K157-I170 HydrophobicContact CB-CG1 4.36Å; K157-I483 HydrophobicContact CD-CD1 4.36Å
158D93.1Very high92.3Very high11 Ų1119.9 Ų19.96%0.05912%0.119CC..Hα-helixtrans-65.9-41.4176.9-63.4-15.3000110.4Q154 A155 T156 G160 A161 I162 L508 I513Q154-D158 PolarHBondContact NE2-OD1 3.4Å; Q154-D158 PolarHBondContact O-N 3.21Å; A155-D158 PolarHBondContact O-N 3.32Å; T156-D158 VanDerWaalsContact C-N 3.34Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.89Å; D158-A161 WeakPolarHBondContact O-CB 3.3Å; D158-A161 PolarHBondContact O-N 3.23Å; D158-A161 VanDerWaalsContact O-N 3.13Å; D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.43Å; D158-I162 PolarHBondContact O-N 3.46Å; D158-L508 HydrophobicContact CB-CD1 4.36Å; D158-I513 HydrophobicContact CB-CD1 4.29Å
159A96.5Very high92.8Very high0 Ų022.4 Ų22.40%013%0.128CC..Hα-helixtrans-58.7-39.8172.500000112.2I72 E115 S119 L122 A155 T156 I162 A163I72-A159 HydrophobicContact CD1-CB 4.44Å; E115-A159 HydrophobicContact CB-CB 4.27Å; S119-A159 WeakPolarHBondContact CB-O 3.36Å; L122-A159 HydrophobicContact CD1-CB 3.95Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.94Å; T156-A159 WeakPolarHBondContact O-CB 3.22Å; T156-A159 PolarHBondContact O-N 2.83Å; A159-I162 PolarHBondContact O-N 2.97Å; A159-A163 PolarHBondContact O-N 2.97Å; A159-A163 VanDerWaalsContact O-N 3.07Å
160G96.7Very high93.5Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-63-43.3172.600000112.9T156 K157 D158 I162 A163 G164 L165T156-G160 PolarHBondContact O-N 3.23Å; K157-G160 PolarHBondContact O-N 3.21Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.89Å; G160-I162 PolarHBondContact O-N 2.98Å; G160-A163 PolarHBondContact O-N 3.29Å; G160-G164 PolarHBondContact O-N 3.22Å; G160-L165 CarbonylContact C-O 3.56Å; G160-L165 WeakPolarHBondContact O-CB 3.39Å; G160-L165 PolarHBondContact O-N 2.95Å
161A93.5Very high94.1Very high41 Ų4121.3 Ų21.334%0.33912%0.122SC..Hα-helixtrans-62.5-42.1175.700000112.2K157 D158 A163 G164K157-A161 PolarHBondContact O-N 3.43Å; D158-A161 WeakPolarHBondContact O-CB 3.3Å; D158-A161 PolarHBondContact O-N 3.23Å; D158-A161 VanDerWaalsContact O-N 3.13Å; A161-A163 VanDerWaalsContact C-N 3.26Å; A161-A163 PolarHBondContact O-N 2.81Å; A161-G164 PolarHBondContact O-N 2.66Å
162I94.7Very high94.5Very high5 Ų521.2 Ų21.23%0.02612%0.121CC..Hα-helixtrans-61.6-35.5175.5-63.8162.8000111.1E115 S119 D158 A159 G160 G164 L508 I513 M516 A520E115-I162 HydrophobicContact CB-CD1 4.17Å; S119-I162 VanDerWaalsContact OG-CG2 3.23Å; S119-I162 WeakPolarHBondContact OG-CG2 3Å; D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.43Å; D158-I162 PolarHBondContact O-N 3.46Å; A159-I162 PolarHBondContact O-N 2.97Å; G160-I162 PolarHBondContact O-N 2.98Å; I162-G164 PolarHBondContact O-N 2.87Å; I162-L508 HydrophobicContact CD1-CD1 3.85Å; I162-I513 HydrophobicContact CG1-CG2 4.48Å; I162-M516 HydrophobicContact CD1-CB 3.96Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.76Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.18Å; I162-A520 HydrophobicContact CG2-CB 3.96Å
163A95.7Very high94.8Very high8 Ų821.4 Ų21.47%0.06612%0.122CC..THydrogen-bonded Turntrans-74.62.9174.700000114.1S119 L122 A159 G160 A161 L165S119-A163 WeakPolarHBondContact O-CB 3.5Å; L122-A163 HydrophobicContact CB-CB 3.73Å; A159-A163 PolarHBondContact O-N 2.97Å; A159-A163 VanDerWaalsContact O-N 3.07Å; G160-A163 PolarHBondContact O-N 3.29Å; A161-A163 VanDerWaalsContact C-N 3.26Å; A161-A163 PolarHBondContact O-N 2.81Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.33Å; A163-L165 HydrophobicContact CB-CG 4.48Å
164G93.8Very high95Very high41 Ų4121.1 Ų21.142%0.42312%0.121SC..THydrogen-bonded Turntrans66.734.5-176.300000112.9K126 G160 A161 I162K126-G164 PolarHBondContact NZ-O 3.07Å; G160-G164 PolarHBondContact O-N 3.22Å; A161-G164 PolarHBondContact O-N 2.66Å; I162-G164 PolarHBondContact O-N 2.87Å
165L96.7Very high95.2Very high8 Ų819.9 Ų19.94%0.04212%0.115CC..  trans-108.5132.1172.9-65.8167.8000110.1I7 L122 K126 V137 A140 G160 A163 V167I7-L165 HydrophobicContact CD1-CD1 3.85Å; L122-L165 HydrophobicContact CB-CD1 4.4Å; K126-L165 HydrophobicContact CB-CD2 4.36Å; K126-L165 HydrophobicContact CD-CD2 3.88Å; K126-L165 HydrophobicContact CD-CG 4.3Å; K126-L165 HydrophobicContact CG-CD2 4.22Å; V137-L165 HydrophobicContact CG1-CD2 4.26Å; A140-L165 HydrophobicContact CB-CB 4.3Å; A140-L165 HydrophobicContact CB-CD1 4.05Å; A140-L165 HydrophobicContact CB-CD2 4.22Å; A140-L165 HydrophobicContact CB-CG 4.43Å; G160-L165 CarbonylContact C-O 3.56Å; G160-L165 WeakPolarHBondContact O-CB 3.39Å; G160-L165 PolarHBondContact O-N 2.95Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.33Å; A163-L165 HydrophobicContact CB-CG 4.48Å; L165-V167 PolarHBondContact O-N 2.84Å
166N96.5Very high95.4Very high94 Ų9419.8 Ų19.850%0.50311%0.114SC..EExtended strand (participates in β ladder)trans-76.3102.5162.9177.936.6000108.8S138 D139 A140 L168S138-N166 WeakPolarHBondContact O-CB 3.28Å; S138-N166 PolarHBondContact O-N 2.96Å; D139-N166 WeakPolarHBondContact CA-O 3.49Å; D139-N166 WeakPolarHBondContact OD1-CB 3.47Å; D139-N166 PolarHBondContact OD1-ND2 3.18Å; A140-N166 PolarHBondContact N-O 3.41Å; N166-L168 PolarHBondContact O-N 2.99Å
167V96.5Very high95.4Very high13 Ų1319.7 Ų19.78%0.07911%0.114CC..EExtended strand (participates in β ladder)trans-75.597.7-179.9-175.20000109.6A140 I142 K157 L165 R169 I170A140-V167 CarbonylContact O-C 3.55Å; A140-V167 WeakPolarHBondContact O-CA 3.46Å; I142-V167 HydrophobicContact CD1-CG1 4.32Å; I142-V167 HydrophobicContact CD1-CG2 3.79Å; I142-V167 HydrophobicContact CG1-CG1 4.46Å; K157-V167 HydrophobicContact CG-CB 4.15Å; K157-V167 HydrophobicContact CG-CG1 4.34Å; K157-V167 HydrophobicContact CG-CG2 4.44Å; L165-V167 PolarHBondContact O-N 2.84Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 3.34Å; V167-I170 HydrophobicContact CG1-CD1 3.62Å; V167-I170 HydrophobicContact CG1-CG1 4.17Å
168L96Very high95.5Very high52 Ų5216.5 Ų16.527%0.27210%0.1SC..EExtended strand (participates in β ladder)trans-63.5-39.8-179.1-63.5-179.5000111.8A4 D139 A140 V141 N166 L378A4-L168 HydrophobicContact CB-CD1 4.02Å; D139-L168 HydrophobicContact CB-CD1 3.89Å; D139-L168 HydrophobicContact CB-CD2 4.24Å; D139-L168 HydrophobicContact CB-CG 3.97Å; A140-L168 PolarHBondContact O-N 3.48Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; N166-L168 PolarHBondContact O-N 2.99Å; L168-L378 HydrophobicContact CB-CD1 4.04Å; L168-L378 HydrophobicContact CD1-CB 4.09Å
169R95.9Very high95.6Very high57 Ų5716 Ų1622%0.21510%0.098CC..EExtended strand (participates in β ladder)trans-157.6143.8178.7-175.5170.8-69.1-170.5-5.1111.1V141 I142 V167 L378 N481V141-R169 WeakPolarHBondContact CA-O 3.29Å; V141-R169 HydrophobicContact CG1-CB 4.48Å; V141-R169 HydrophobicContact CG2-CB 4.23Å; I142-R169 PolarHBondContact N-O 3.13Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 3.34Å; R169-L378 HydrophobicContact CB-CD1 3.5Å; R169-L378 VanDerWaalsContact CB-CD1 3.5Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; R169-N481 VanDerWaalsContact CA-OD1 3.31Å; R169-N481 WeakPolarHBondContact CA-OD1 3.33Å
170I95.7Very high95.4Very high3 Ų316.4 Ų16.42%0.01510%0.101CC..EExtended strand (participates in β ladder)trans-93.7122.6159.2-61.1-61.5000107.6I142 V144 R153 T156 K157 V167 N481I142-I170 HydrophobicContact CB-CD1 4.06Å; I142-I170 WeakPolarHBondContact O-CA 3.37Å; V144-I170 HydrophobicContact CB-CG2 4.19Å; V144-I170 HydrophobicContact CG1-CG2 3.72Å; V144-I170 HydrophobicContact CG2-CG2 3.39Å; R153-I170 HydrophobicContact CG-CG2 4.46Å; T156-I170 HydrophobicContact CG2-CD1 3.96Å; K157-I170 HydrophobicContact CB-CD1 4.39Å; K157-I170 HydrophobicContact CB-CG1 4.36Å; V167-I170 HydrophobicContact CG1-CD1 3.62Å; V167-I170 HydrophobicContact CG1-CG1 4.17Å; I170-N481 HydrophobicContact CB-CB 4.25Å; I170-N481 PolarHBondContact N-OD1 3.33Å
171I95.7Very high95.2Very high3 Ų316.8 Ų16.82%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-116.8147.5-179.4-171.2171.1000110.6V141 I142 T143 V144 T175 A176 I179 Q374 L391V141-I171 HydrophobicContact CG1-CB 4.21Å; V141-I171 HydrophobicContact CG1-CG2 3.58Å; I142-I171 PolarHBondContact O-N 3.33Å; I142-I171 VanDerWaalsContact O-N 3.11Å; T143-I171 CarbonylContact C-O 3.58Å; T143-I171 VanDerWaalsContact CA-O 3.25Å; T143-I171 WeakPolarHBondContact CA-O 2.93Å; T143-I171 HydrophobicContact CG2-CG2 3.71Å; V144-I171 PolarHBondContact N-O 3.37Å; I171-T175 HydrophobicContact CD1-CG2 4.38Å; I171-T175 HydrophobicContact CG1-CG2 4.41Å; I171-A176 HydrophobicContact CD1-CB 4.25Å; I171-A176 HydrophobicContact CG2-CB 4.29Å; I171-I179 HydrophobicContact CD1-CD1 3.91Å; I171-Q374 HydrophobicContact CD1-CB 4.24Å; I171-Q374 HydrophobicContact CD1-CG 4.09Å; I171-L391 HydrophobicContact CD1-CD2 3.68Å; I171-L391 HydrophobicContact CG1-CD2 4.15Å
172N94.7Very high95.1Very high3 Ų315.2 Ų15.22%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-69.3135.7173.5-67.7-16000110.8V144 A146 R153 T175 A176 D393V144-N172 CarbonylContact O-C 3.48Å; V144-N172 VanDerWaalsContact O-CA 3.31Å; V144-N172 WeakPolarHBondContact O-CA 3.2Å; A146-N172 HydrophobicContact CB-CB 4.35Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 3.21Å; R153-N172 PolarHBondContact NH2-OD1 3.26Å; N172-T175 WeakPolarHBondContact CB-OG1 3.2Å; N172-T175 WeakPolarHBondContact O-CB 3.31Å; N172-T175 PolarHBondContact O-N 3.41Å; N172-T175 VanDerWaalsContact O-N 3.16Å; N172-A176 PolarHBondContact O-N 3.34Å; N172-D393 WeakPolarHBondContact CB-OD2 3.32Å; N172-D393 PolarHBondContact ND2-OD1 3.06Å; N172-D393 PolarHBondContact ND2-OD2 2.82Å
173E96.3Very high94.5Very high8 Ų816.5 Ų16.54%0.03710%0.097CC..Hα-helixtrans-52.3-53.8176.3-75.3163.5-155.800113.5K69 V144 P145 T175 A176 A177 V367K69-E173 IonicContact NZ-OE1 2.7Å; K69-E173 PolarHBondContact NZ-OE1 2.92Å; K69-E173 IonicContact NZ-OE2 3.54Å; V144-E173 VanDerWaalsContact C-CD 3.45Å; V144-E173 WeakPolarHBondContact CA-OE1 3.12Å; V144-E173 WeakPolarHBondContact O-CG 3.28Å; V144-E173 PolarHBondContact O-N 3.49Å; P145-E173 WeakPolarHBondContact CD-OE1 3.46Å; P145-E173 VanDerWaalsContact N-OE1 3.08Å; E173-T175 PolarHBondContact O-N 3.5Å; E173-A176 PolarHBondContact O-N 2.88Å; E173-A176 VanDerWaalsContact O-N 3.14Å; E173-A177 PolarHBondContact O-N 3.2Å; E173-V367 HydrophobicContact CB-CG1 4.19Å; E173-V367 HydrophobicContact CB-CG2 4.29Å; E173-V367 HydrophobicContact CG-CG1 3.81Å
174P94.9Very high93.4Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-64.2-30.3179.724.2-35.3000112.2A146 A178 I195 D204 S206A146-P174 HydrophobicContact CB-CG 3.82Å; P174-A178 WeakPolarHBondContact O-CB 3.42Å; P174-A178 PolarHBondContact O-N 2.98Å; P174-I195 HydrophobicContact CB-CB 4.14Å; P174-I195 HydrophobicContact CB-CG2 3.8Å; P174-D204 HydrophobicContact CG-CB 4.24Å; P174-S206 WeakPolarHBondContact CB-OG 3.41Å; P174-S206 VanDerWaalsContact CG-OG 3.25Å; P174-S206 WeakPolarHBondContact CG-OG 3.29Å
175T94.8Very high92.4Very high0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-69.2-43.2175.5-56.60000111.3I171 N172 E173 A178 I179 V217 L391 D393I171-T175 HydrophobicContact CD1-CG2 4.38Å; I171-T175 HydrophobicContact CG1-CG2 4.41Å; N172-T175 WeakPolarHBondContact CB-OG1 3.2Å; N172-T175 WeakPolarHBondContact O-CB 3.31Å; N172-T175 PolarHBondContact O-N 3.41Å; N172-T175 VanDerWaalsContact O-N 3.16Å; E173-T175 PolarHBondContact O-N 3.5Å; T175-A178 WeakPolarHBondContact O-CB 3.5Å; T175-A178 PolarHBondContact O-N 3.5Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.15Å; T175-I179 VanDerWaalsContact O-N 3.13Å; T175-V217 HydrophobicContact CG2-CG2 4.44Å; T175-L391 HydrophobicContact CG2-CD1 3.13Å; T175-L391 HydrophobicContact CG2-CD2 3.6Å; T175-L391 HydrophobicContact CG2-CG 3.72Å; T175-D393 PolarHBondContact OG1-OD2 3.16Å
176A96.7Very high90.7Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-62-44.4173.200000111.2T143 I171 N172 E173 A178 I179 A180 V367 G370T143-A176 HydrophobicContact CG2-CB 4.16Å; I171-A176 HydrophobicContact CD1-CB 4.25Å; I171-A176 HydrophobicContact CG2-CB 4.29Å; N172-A176 PolarHBondContact O-N 3.34Å; E173-A176 PolarHBondContact O-N 2.88Å; E173-A176 VanDerWaalsContact O-N 3.14Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.25Å; A176-I179 WeakPolarHBondContact O-CB 3.4Å; A176-I179 PolarHBondContact O-N 2.88Å; A176-I179 VanDerWaalsContact O-N 3.12Å; A176-A180 PolarHBondContact O-N 3.43Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A176-V367 HydrophobicContact CB-CG1 4.45Å; A176-V367 WeakPolarHBondContact CB-O 3.38Å; A176-G370 VanDerWaalsContact O-CA 3.27Å; A176-G370 WeakPolarHBondContact O-CA 3.3Å
177A96.3Very high88.8Confident0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-63.8-33.3176.700000113E173 A180 Y181 I195 V335 A366 V367E173-A177 PolarHBondContact O-N 3.2Å; A177-A180 PolarHBondContact O-N 3.39Å; A177-Y181 PolarHBondContact O-N 2.87Å; A177-I195 HydrophobicContact CB-CG2 4.24Å; A177-V335 HydrophobicContact CB-CB 4.31Å; A177-V335 HydrophobicContact CB-CG1 3.89Å; A177-V335 HydrophobicContact CB-CG2 3.49Å; A177-V335 VanDerWaalsContact CB-CG2 3.49Å; A177-A366 HydrophobicContact CB-CB 4.2Å; A177-V367 HydrophobicContact CB-CG2 4.29Å
178A95.2Very high87.5Confident0 Ų035.3 Ų35.30%019%0.192CC..Hα-helixtrans-63.6-40.3172.600000112.2P174 T175 A176 A180 Y181 G182 I195 L208 F215P174-A178 WeakPolarHBondContact O-CB 3.42Å; P174-A178 PolarHBondContact O-N 2.98Å; T175-A178 WeakPolarHBondContact O-CB 3.5Å; T175-A178 PolarHBondContact O-N 3.5Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 3.25Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 2.92Å; A178-Y181 PolarHBondContact O-N 2.88Å; A178-G182 PolarHBondContact O-N 2.79Å; A178-I195 HydrophobicContact CB-CD1 3.99Å; A178-I195 HydrophobicContact CB-CG1 4.06Å; A178-L208 HydrophobicContact CB-CD1 3.97Å; A178-L208 HydrophobicContact CB-CD2 3.53Å; A178-L208 HydrophobicContact CB-CG 4.32Å; A178-F215 HydrophobicContact CB-CD1 4.4Å; A178-F215 WeakPolarHBondContact O-CE1 3.44Å
179I94.1Very high86.9Confident0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-59-46.8173.3-66.4168.4000110.3I171 T175 A176 Y181 G182 L183 V373 L389 L391I171-I179 HydrophobicContact CD1-CD1 3.91Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.15Å; T175-I179 VanDerWaalsContact O-N 3.13Å; A176-I179 WeakPolarHBondContact O-CB 3.4Å; A176-I179 PolarHBondContact O-N 2.88Å; A176-I179 VanDerWaalsContact O-N 3.12Å; I179-Y181 VanDerWaalsContact C-N 3.3Å; I179-Y181 PolarHBondContact O-N 3.42Å; I179-G182 PolarHBondContact O-N 3.1Å; I179-L183 PolarHBondContact O-N 2.96Å; I179-V373 HydrophobicContact CG2-CB 3.77Å; I179-V373 HydrophobicContact CG2-CG1 3.68Å; I179-V373 HydrophobicContact CG2-CG2 4.09Å; I179-L389 HydrophobicContact CD1-CD2 4.41Å; I179-L389 HydrophobicContact CG1-CD1 4.33Å; I179-L389 HydrophobicContact CG1-CD2 4.5Å; I179-L389 HydrophobicContact CG2-CD1 3.82Å; I179-L391 HydrophobicContact CD1-CD1 4.2Å; I179-L391 HydrophobicContact CG1-CD1 4.41Å
180A93.9Very high86.7Confident9 Ų936.7 Ų36.77%0.07421%0.21CC..Hα-helixtrans-61.5-37.6178.100000112.7A176 A177 A178 A366 Y369A176-A180 PolarHBondContact O-N 3.43Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A177-A180 PolarHBondContact O-N 3.39Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 2.92Å; A180-A366 HydrophobicContact CB-CB 4.31Å; A180-A366 VanDerWaalsContact CB-O 3.24Å; A180-A366 WeakPolarHBondContact CB-O 2.99Å; A180-Y369 HydrophobicContact CB-CD1 3.58Å; A180-Y369 HydrophobicContact CB-CE1 4.41Å; A180-Y369 HydrophobicContact CB-CG 3.98Å
181Y92.6Very high86.6Confident7 Ų740.1 Ų40.13%0.02722%0.223CC..Hα-helixtrans-67.4-42.7173.1164.1-93.5000112.6A177 A178 I179 K185 R191 V193 I210 D331 V333 N358A177-Y181 PolarHBondContact O-N 2.87Å; A178-Y181 PolarHBondContact O-N 2.88Å; I179-Y181 VanDerWaalsContact C-N 3.3Å; I179-Y181 PolarHBondContact O-N 3.42Å; Y181-K185 WeakPolarHBondContact O-CG 3.37Å; Y181-R191 PolarHBondContact OH-NH1 3.02Å; Y181-V193 HydrophobicContact CD1-CG1 4.33Å; Y181-V193 HydrophobicContact CD1-CG2 4.38Å; Y181-V193 HydrophobicContact CE1-CG1 4.27Å; Y181-V193 HydrophobicContact CE1-CG2 3.72Å; Y181-I210 HydrophobicContact CD1-CD1 3.85Å; Y181-I210 HydrophobicContact CE1-CD1 3.94Å; Y181-D331 HydrophobicContact CE2-CB 4.43Å; Y181-D331 VanDerWaalsContact OH-CG 3.25Å; Y181-D331 PolarHBondContact OH-OD2 2.98Å; Y181-V333 HydrophobicContact CD1-CG2 4.39Å; Y181-V333 HydrophobicContact CD2-CG2 3.49Å; Y181-V333 VanDerWaalsContact CD2-CG2 3.49Å; Y181-V333 HydrophobicContact CE2-CG2 3.91Å; Y181-V333 HydrophobicContact CG-CG2 3.77Å; Y181-N358 WeakPolarHBondContact CE2-ND2 3.48Å
182G89.6Confident86.7Confident9 Ų940.4 Ų40.49%0.09322%0.224CC..Hα-helixtrans-83.3-26.5-169.500000115.4A178 I179 D184 K185A178-G182 PolarHBondContact O-N 2.79Å; I179-G182 PolarHBondContact O-N 3.1Å; G182-D184 PolarHBondContact O-N 3.33Å; G182-K185 PolarHBondContact O-N 3.01Å
183L82.8Confident86.8Confident31 Ų3140.3 Ų40.316%0.16222%0.224CC..THydrogen-bonded Turntrans-56.4-44.8-171.3-17070.3000113.7I179 K185 Y369 V373 A385 V386I179-L183 PolarHBondContact O-N 2.96Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-Y369 HydrophobicContact CD2-CE1 3.92Å; L183-V373 HydrophobicContact CD1-CG1 4.46Å; L183-V373 HydrophobicContact CD2-CG2 3.88Å; L183-A385 WeakPolarHBondContact CD1-O 3.49Å; L183-V386 HydrophobicContact CD1-CG1 4.11Å
184D73.8Confident86.9Confident127 Ų12739.9 Ų39.968%0.67922%0.222SC*.THydrogen-bonded Turntrans-87.8-4.6-179.2-69.7-33.6000113.2G182 K186G182-D184 PolarHBondContact O-N 3.33Å; D184-K186 PolarHBondContact O-N 3.33Å
185K70.9Confident87Confident95 Ų9539.9 Ų39.941%0.41322%0.222SC..  trans-95.383.3-175.4-67.2-63.9-178.2-169.20109.6Y181 G182 L183 V187Y181-K185 WeakPolarHBondContact O-CG 3.37Å; G182-K185 PolarHBondContact O-N 3.01Å; L183-K185 VanDerWaalsContact C-N 3.34Å; K185-V187 HydrophobicContact CB-CG2 3.95Å; K185-V187 PolarHBondContact O-N 2.82Å
186K61.1Low87.2Confident210 Ų21039.9 Ų39.991%0.91322%0.222SC*.  trans-68.565.5160.6-63.4-171.7-178.5-1730110.1D184D184-K186 PolarHBondContact O-N 3.33Å
187V56.6Low87.2Confident51 Ų5140.2 Ų40.231%0.30922%0.223SC..  trans-90.2125.3174.7-175.30000107.1K185 G189 R191K185-V187 HydrophobicContact CB-CG2 3.95Å; K185-V187 PolarHBondContact O-N 2.82Å; V187-G189 PolarHBondContact O-N 3.41Å; V187-R191 HydrophobicContact CG1-CG 4.31Å
188G70.9Confident87.2Confident77 Ų7740.2 Ų40.279%0.79422%0.223SC*.SBendtrans-68.7126.1170.800000110.3
189G83Confident87.2Confident39 Ų3940.8 Ų40.840%0.40223%0.229SC..SBendtrans94.1169172.600000115.4V187V187-G189 PolarHBondContact O-N 3.41Å
190E91Very high87.2Confident99 Ų9941.7 Ų41.746%0.46324%0.239SC..  trans-60129.5-179.7-169.5-169.6138.600112.4T209E190-T209 HydrophobicContact CG-CG2 3.3Å
191R93.8Very high87Confident75 Ų7541.3 Ų41.328%0.28324%0.236SC..EExtended strand (participates in β ladder)trans-126.4122.2172.8-84.2-157.9162171.77.2113.1Y181 V187 V193 T209 I210 D331Y181-R191 PolarHBondContact OH-NH1 3.02Å; V187-R191 HydrophobicContact CG1-CG 4.31Å; R191-V193 HydrophobicContact CB-CG2 4.43Å; R191-T209 CarbonylContact O-C 3.56Å; R191-T209 WeakPolarHBondContact O-CA 3.1Å; R191-I210 PolarHBondContact N-O 3.08Å; R191-I210 PolarHBondContact O-N 2.68Å; R191-D331 IonicContact CZ-OD2 3.38Å; R191-D331 IonicContact NE-OD2 2.74Å; R191-D331 IonicContact NH1-OD2 2.77Å; R191-D331 PolarHBondContact NH1-OD2 3.18Å
192N96.9Very high86.9Confident9 Ų941.4 Ų41.45%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-85.4123.2167.1-56.6-45.9000110.9L208 T209 M324 Q328 I329 H330N192-L208 CarbonylContact C-O 3.58Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.22Å; N192-T209 PolarHBondContact OD1-OG1 2.8Å; N192-M324 HydrophobicContact CB-CE 4.36Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 VanDerWaalsContact OD1-CE 3.3Å; N192-M324 WeakPolarHBondContact OD1-CE 3.46Å; N192-Q328 WeakPolarHBondContact CB-O 3.38Å; N192-Q328 PolarHBondContact ND2-O 2.79Å; N192-I329 HydrophobicContact CB-CD1 4.36Å; N192-H330 PolarHBondContact N-ND1 3.02Å; N192-H330 WeakPolarHBondContact O-CB 3.4Å; N192-H330 PolarHBondContact O-N 3.03Å; N192-H330 PolarHBondContact O-ND1 2.88Å
193V96.8Very high87.2Confident0 Ų041 Ų410%023%0.233CC..EExtended strand (participates in β ladder)trans-124134.6-176.1-176.30000109Y181 R191 I195 I207 L208 I210 D331 V333Y181-V193 HydrophobicContact CD1-CG1 4.33Å; Y181-V193 HydrophobicContact CD1-CG2 4.38Å; Y181-V193 HydrophobicContact CE1-CG1 4.27Å; Y181-V193 HydrophobicContact CE1-CG2 3.72Å; R191-V193 HydrophobicContact CB-CG2 4.43Å; V193-I195 HydrophobicContact CG1-CD1 3.88Å; V193-I207 WeakPolarHBondContact O-CA 3.47Å; V193-L208 PolarHBondContact N-O 2.8Å; V193-L208 PolarHBondContact O-N 3.31Å; V193-I210 HydrophobicContact CB-CD1 4.41Å; V193-I210 HydrophobicContact CG2-CD1 3.84Å; V193-I210 HydrophobicContact CG2-CG1 4.42Å; V193-D331 WeakPolarHBondContact CA-O 3.37Å; V193-D331 HydrophobicContact CG1-CB 4.2Å; V193-D331 HydrophobicContact CG2-CB 4.34Å; V193-V333 HydrophobicContact CG1-CG2 3.6Å
194L98.2Very high87.7Confident0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-99.2122168-175.4147.3000109.1F196 V205 S206 I207 V315 I329 D331 I332 V333 F352L194-F196 HydrophobicContact CD2-CB 3.8Å; L194-F196 HydrophobicContact CD2-CD2 4.43Å; L194-V205 HydrophobicContact CD1-CG1 3.88Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; L194-S206 WeakPolarHBondContact CA-O 3.47Å; L194-I207 HydrophobicContact CD1-CG1 4.2Å; L194-I207 HydrophobicContact CG-CG1 4.4Å; L194-V315 HydrophobicContact CD1-CG1 4.02Å; L194-I329 HydrophobicContact CB-CG2 3.86Å; L194-D331 PolarHBondContact N-O 2.94Å; L194-I332 HydrophobicContact CD2-CG2 4Å; L194-I332 CarbonylContact O-C 3.55Å; L194-I332 WeakPolarHBondContact O-CA 3.44Å; L194-V333 PolarHBondContact O-N 3.35Å; L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å
195I97.9Very high88.8Confident0 Ų033.5 Ų33.50%019%0.193CC..EExtended strand (participates in β ladder)trans-92.3118.6169.2-52.3-58.2000107.6P174 A177 A178 V193 V205 S206 L208 V333 V335P174-I195 HydrophobicContact CB-CB 4.14Å; P174-I195 HydrophobicContact CB-CG2 3.8Å; A177-I195 HydrophobicContact CB-CG2 4.24Å; A178-I195 HydrophobicContact CB-CD1 3.99Å; A178-I195 HydrophobicContact CB-CG1 4.06Å; V193-I195 HydrophobicContact CG1-CD1 3.88Å; I195-V205 VanDerWaalsContact O-CA 3.31Å; I195-V205 WeakPolarHBondContact O-CA 3.32Å; I195-S206 PolarHBondContact N-O 3.35Å; I195-S206 PolarHBondContact O-N 3.44Å; I195-L208 HydrophobicContact CB-CD1 4.45Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; I195-V333 HydrophobicContact CD1-CB 3.75Å; I195-V333 HydrophobicContact CD1-CG1 4.25Å; I195-V333 HydrophobicContact CD1-CG2 4.04Å; I195-V335 HydrophobicContact CG2-CB 4.48Å; I195-V335 HydrophobicContact CG2-CG2 3.71Å
196F98.1Very high90Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-107.797.1175.1-171.3-82.2000108L194 L198 F203 V205 T311 V315 V333 L334 V335 T339 V344 L348L194-F196 HydrophobicContact CD2-CB 3.8Å; L194-F196 HydrophobicContact CD2-CD2 4.43Å; F196-L198 HydrophobicContact CD1-CB 4.3Å; F196-L198 HydrophobicContact CE1-CB 3.84Å; F196-L198 HydrophobicContact CE1-CD2 4.27Å; F196-F203 HydrophobicContact CD1-CE2 4.05Å; F196-F203 AromaticContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.46Å; F196-F203 AromaticContact CE1-CE2 3.65Å; F196-F203 HydrophobicContact CE1-CE2 3.65Å; F196-F203 HydrophobicContact CE1-CZ 4.36Å; F196-F203 AromaticContact CE2-CE2 3.47Å; F196-F203 HydrophobicContact CE2-CE2 3.47Å; F196-F203 VanDerWaalsContact CE2-CE2 3.47Å; F196-F203 AromaticContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CG-CE2 4.15Å; F196-F203 HydrophobicContact CZ-CD2 4.4Å; F196-F203 AromaticContact CZ-CE2 3.35Å; F196-F203 HydrophobicContact CZ-CE2 3.35Å; F196-F203 AromaticContact CZ-CZ 3.61Å; F196-F203 HydrophobicContact CZ-CZ 3.61Å; F196-V205 HydrophobicContact CD2-CG2 4.25Å; F196-T311 HydrophobicContact CZ-CG2 4.41Å; F196-V315 HydrophobicContact CD2-CG2 3.89Å; F196-V315 HydrophobicContact CE2-CG2 3.79Å; F196-V333 PolarHBondContact N-O 3.39Å; F196-L334 HydrophobicContact CB-CD2 4.32Å; F196-L334 HydrophobicContact CD1-CD2 4.34Å; F196-V335 PolarHBondContact O-N 3.01Å; F196-T339 HydrophobicContact CD1-CG2 3.87Å; F196-T339 HydrophobicContact CE1-CG2 4.24Å; F196-V344 HydrophobicContact CE1-CG1 3.61Å; F196-V344 HydrophobicContact CZ-CG1 3.87Å; F196-L348 HydrophobicContact CB-CD2 4.03Å; F196-L348 HydrophobicContact CD1-CD2 4.21Å; F196-L348 HydrophobicContact CD2-CD1 3.83Å; F196-L348 HydrophobicContact CD2-CD2 3.67Å; F196-L348 HydrophobicContact CD2-CG 4.4Å; F196-L348 HydrophobicContact CE2-CD1 3.97Å; F196-L348 HydrophobicContact CE2-CD2 4.12Å; F196-L348 HydrophobicContact CG-CD2 3.71Å
197D97.1Very high91.8Very high6 Ų619 Ų193%0.03213%0.13CC..EExtended strand (participates in β ladder)trans-102.4101.2-176.6-169.3-9.1000110.5F203 D204 V335D197-F203 CarbonylContact O-C 3.55Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.11Å; D197-F203 VanDerWaalsContact O-CD2 3.25Å; D197-F203 WeakPolarHBondContact O-CD2 3.42Å; D197-D204 WeakPolarHBondContact CA-O 3.45Å; D197-D204 HydrophobicContact CB-CB 4.38Å; D197-D204 PolarHBondContact N-O 3.25Å; D197-D204 PolarHBondContact O-N 2.81Å; D197-V335 WeakPolarHBondContact CA-O 3.44Å; D197-V335 HydrophobicContact CB-CB 4Å; D197-V335 HydrophobicContact CB-CG1 4.28Å
198L97.2Very high93.7Very high0 Ų016.6 Ų16.60%012%0.115CC..EExtended strand (participates in β ladder)trans-116.595.6176.9-173.167.5000109.1F196 F203 L226 F231 T311 V335 G336 S338 T339 V344F196-L198 HydrophobicContact CD1-CB 4.3Å; F196-L198 HydrophobicContact CE1-CB 3.84Å; F196-L198 HydrophobicContact CE1-CD2 4.27Å; L198-F203 HydrophobicContact CB-CD2 3.96Å; L198-F203 HydrophobicContact CB-CE2 4.44Å; L198-F203 HydrophobicContact CD1-CB 3.71Å; L198-F203 HydrophobicContact CD1-CD2 3.55Å; L198-F203 HydrophobicContact CD1-CE2 4.44Å; L198-F203 HydrophobicContact CD1-CG 3.81Å; L198-F203 HydrophobicContact CG-CD2 4.32Å; L198-L226 HydrophobicContact CD1-CG 4.44Å; L198-F231 HydrophobicContact CD2-CE2 4.29Å; L198-F231 HydrophobicContact CD2-CZ 4.3Å; L198-T311 HydrophobicContact CD1-CG2 4.4Å; L198-V335 PolarHBondContact N-O 3.19Å; L198-G336 CarbonylContact O-C 3.56Å; L198-G336 WeakPolarHBondContact O-CA 3.36Å; L198-S338 VanDerWaalsContact O-CB 3.27Å; L198-S338 WeakPolarHBondContact O-CB 3.42Å; L198-S338 PolarHBondContact O-N 3.31Å; L198-T339 HydrophobicContact CB-CG2 3.81Å; L198-V344 HydrophobicContact CD2-CG1 3.92Å; L198-V344 HydrophobicContact CD2-CG2 4Å
199G95.1Very high94.9Very high12 Ų1213.3 Ų13.312%0.1248%0.08CC..  trans-89.4-155.1-17600000114.3T202 G227 G228 S338G199-T202 PolarHBondContact N-O 3.14Å; G199-G227 WeakPolarHBondContact O-CA 3.45Å; G199-G228 PolarHBondContact O-N 2.96Å; G199-S338 PolarHBondContact O-OG 3.13Å
200G93.3Very high95.4Very high20 Ų2012.5 Ų12.521%0.2067%0.066CC..SBendtrans-77.2-30.4177.100000113.9T12 G227 G228 E229T12-G200 WeakPolarHBondContact OG1-CA 3.38Å; G200-G227 CarbonylContact O-C 3.51Å; G200-G228 PolarHBondContact O-N 2.96Å; G200-E229 WeakPolarHBondContact O-CB 3.39Å; G200-E229 PolarHBondContact O-N 3.35Å
201G90.5Very high95.4Very high0 Ų011.9 Ų11.90%06%0.063CC..SBendtrans-147.23.3178.600000116.5R70 T224R70-G201 PolarHBondContact NH2-O 3.25Å; G201-T224 CarbonylContact O-C 3.56Å; G201-T224 VanDerWaalsContact O-O 3.08Å
202T91Very high95.1Very high9 Ų914.6 Ų14.66%0.0558%0.083CC..  trans-133147.5179.250.40000109.2P145 G199 L226P145-T202 HydrophobicContact CB-CG2 4.27Å; P145-T202 HydrophobicContact CG-CG2 3.79Å; G199-T202 PolarHBondContact N-O 3.14Å; T202-L226 CarbonylContact C-O 3.57Å
203F94.6Very high94.6Very high0 Ų015.4 Ų15.40%09%0.094CC..EExtended strand (participates in β ladder)trans-126.9118.7173.6175.3-128.3000109F196 D197 L198 V205 G222 D223 L226 T311 P314F196-F203 HydrophobicContact CD1-CE2 4.05Å; F196-F203 AromaticContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CZ 4Å; F196-F203 HydrophobicContact CE1-CD2 4.46Å; F196-F203 AromaticContact CE1-CE2 3.65Å; F196-F203 HydrophobicContact CE1-CE2 3.65Å; F196-F203 HydrophobicContact CE1-CZ 4.36Å; F196-F203 AromaticContact CE2-CE2 3.47Å; F196-F203 HydrophobicContact CE2-CE2 3.47Å; F196-F203 VanDerWaalsContact CE2-CE2 3.47Å; F196-F203 AromaticContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CE2-CZ 3.39Å; F196-F203 HydrophobicContact CG-CE2 4.15Å; F196-F203 HydrophobicContact CZ-CD2 4.4Å; F196-F203 AromaticContact CZ-CE2 3.35Å; F196-F203 HydrophobicContact CZ-CE2 3.35Å; F196-F203 AromaticContact CZ-CZ 3.61Å; F196-F203 HydrophobicContact CZ-CZ 3.61Å; D197-F203 CarbonylContact O-C 3.55Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.11Å; D197-F203 VanDerWaalsContact O-CD2 3.25Å; D197-F203 WeakPolarHBondContact O-CD2 3.42Å; L198-F203 HydrophobicContact CB-CD2 3.96Å; L198-F203 HydrophobicContact CB-CE2 4.44Å; L198-F203 HydrophobicContact CD1-CB 3.71Å; L198-F203 HydrophobicContact CD1-CD2 3.55Å; L198-F203 HydrophobicContact CD1-CE2 4.44Å; L198-F203 HydrophobicContact CD1-CG 3.81Å; L198-F203 HydrophobicContact CG-CD2 4.32Å; F203-V205 HydrophobicContact CE1-CG2 3.86Å; F203-V205 HydrophobicContact CE2-CG2 3.68Å; F203-V205 HydrophobicContact CZ-CG2 3.22Å; F203-G222 CarbonylContact O-C 3.46Å; F203-G222 WeakPolarHBondContact O-CA 3.49Å; F203-D223 PolarHBondContact N-O 2.76Å; F203-D223 PolarHBondContact O-N 3.2Å; F203-L226 HydrophobicContact CB-CB 4.08Å; F203-L226 HydrophobicContact CB-CD2 4.29Å; F203-L226 HydrophobicContact CB-CG 4.25Å; F203-L226 WeakPolarHBondContact CB-O 3.29Å; F203-L226 HydrophobicContact CD1-CD2 3.98Å; F203-L226 HydrophobicContact CG-CD2 4.35Å; F203-L226 PolarHBondContact N-O 3.18Å; F203-T311 HydrophobicContact CD1-CG2 4.46Å; F203-T311 VanDerWaalsContact CE1-CA 3.49Å; F203-T311 HydrophobicContact CE1-CG2 4.27Å; F203-T311 VanDerWaalsContact CE1-O 3.22Å; F203-T311 WeakPolarHBondContact CE1-O 3.43Å; F203-T311 HydrophobicContact CZ-CG2 4.38Å; F203-T311 VanDerWaalsContact CZ-O 3.25Å; F203-T311 WeakPolarHBondContact CZ-O 3.44Å; F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.94Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.57Å; F203-P314 HydrophobicContact CZ-CB 4.49Å
204D94.4Very high94.3Very high1 Ų118.6 Ų18.61%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-125.9144.4175.8-68.1-83.1000110.3P145 A146 Y147 P174 D197 A221P145-D204 WeakPolarHBondContact CB-OD2 3.44Å; A146-D204 PolarHBondContact N-OD1 3.48Å; Y147-D204 PolarHBondContact N-OD1 2.79Å; P174-D204 HydrophobicContact CG-CB 4.24Å; D197-D204 WeakPolarHBondContact CA-O 3.45Å; D197-D204 HydrophobicContact CB-CB 4.38Å; D197-D204 PolarHBondContact N-O 3.25Å; D197-D204 PolarHBondContact O-N 2.81Å; D204-A221 CarbonylContact C-O 3.56Å
205V96.6Very high94.1Very high0 Ų018.9 Ų18.90%011%0.112CC..EExtended strand (participates in β ladder)trans-129.1122174.1-177.80000107.5L194 I195 F196 F203 T220 A221 P314 V315 A318L194-V205 HydrophobicContact CD1-CG1 3.88Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; I195-V205 VanDerWaalsContact O-CA 3.31Å; I195-V205 WeakPolarHBondContact O-CA 3.32Å; F196-V205 HydrophobicContact CD2-CG2 4.25Å; F203-V205 HydrophobicContact CE1-CG2 3.86Å; F203-V205 HydrophobicContact CE2-CG2 3.68Å; F203-V205 HydrophobicContact CZ-CG2 3.22Å; V205-T220 CarbonylContact O-C 3.51Å; V205-T220 WeakPolarHBondContact O-CA 3.44Å; V205-A221 PolarHBondContact N-O 3.44Å; V205-A221 PolarHBondContact O-N 2.79Å; V205-A221 VanDerWaalsContact O-O 3.09Å; V205-P314 HydrophobicContact CG2-CB 4.06Å; V205-V315 HydrophobicContact CG1-CG2 4.21Å; V205-V315 HydrophobicContact CG2-CG2 3.85Å; V205-A318 HydrophobicContact CG1-CB 3.94Å
206S96.8Very high94Very high1 Ų121.7 Ų21.71%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-127.7140.4174.6-57.90000110.7P174 L194 I195 S219 T220P174-S206 WeakPolarHBondContact CB-OG 3.41Å; P174-S206 VanDerWaalsContact CG-OG 3.25Å; P174-S206 WeakPolarHBondContact CG-OG 3.29Å; L194-S206 WeakPolarHBondContact CA-O 3.47Å; I195-S206 PolarHBondContact N-O 3.35Å; I195-S206 PolarHBondContact O-N 3.44Å; S206-S219 WeakPolarHBondContact CA-O 3.28Å; S206-T220 PolarHBondContact OG-OG1 2.89Å
207I98.2Very high93.9Very high0 Ų021.7 Ų21.70%013%0.125CC..EExtended strand (participates in β ladder)trans-105.9125.2171.7-63.4174.5000107.2V193 L194 K218 S219 A318 L319 A322 M324 I329V193-I207 WeakPolarHBondContact O-CA 3.47Å; L194-I207 HydrophobicContact CD1-CG1 4.2Å; L194-I207 HydrophobicContact CG-CG1 4.4Å; I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.21Å; I207-S219 PolarHBondContact N-O 2.83Å; I207-S219 PolarHBondContact O-N 2.84Å; I207-A318 VanDerWaalsContact CD1-C 3.48Å; I207-A318 HydrophobicContact CD1-CB 3.99Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; I207-L319 HydrophobicContact CD1-CB 4.34Å; I207-L319 HydrophobicContact CD1-CD2 3.76Å; I207-L319 HydrophobicContact CD1-CG 3.95Å; I207-A322 HydrophobicContact CB-CB 4.28Å; I207-A322 HydrophobicContact CD1-CB 3.91Å; I207-A322 HydrophobicContact CG2-CB 4.14Å; I207-M324 HydrophobicContact CG2-SD 3.8Å; I207-I329 HydrophobicContact CD1-CD1 4.19Å; I207-I329 HydrophobicContact CG1-CD1 4.42Å; I207-I329 HydrophobicContact CG2-CD1 3.95Å
208L97Very high93.9Very high0 Ų024.4 Ų24.40%014%0.136CC..EExtended strand (participates in β ladder)trans-121.8146.9178.8-60.592.7000110.4A178 N192 V193 I195 E216 V217A178-L208 HydrophobicContact CB-CD1 3.97Å; A178-L208 HydrophobicContact CB-CD2 3.53Å; A178-L208 HydrophobicContact CB-CG 4.32Å; N192-L208 CarbonylContact C-O 3.58Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.22Å; V193-L208 PolarHBondContact N-O 2.8Å; V193-L208 PolarHBondContact O-N 3.31Å; I195-L208 HydrophobicContact CB-CD1 4.45Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; L208-E216 CarbonylContact C-O 3.52Å; L208-E216 VanDerWaalsContact CA-O 3.23Å; L208-E216 WeakPolarHBondContact CA-O 3.44Å; L208-V217 HydrophobicContact CD2-CG2 3.67Å; L208-V217 HydrophobicContact CG-CB 4.45Å; L208-V217 HydrophobicContact CG-CG2 3.98Å
209T95.7Very high93.9Very high8 Ų824.4 Ų24.45%0.04914%0.136CC..EExtended strand (participates in β ladder)trans-102.6125.6163.8-59.70000107.8E190 R191 N192 E216 K218E190-T209 HydrophobicContact CG-CG2 3.3Å; R191-T209 CarbonylContact O-C 3.56Å; R191-T209 WeakPolarHBondContact O-CA 3.1Å; N192-T209 PolarHBondContact OD1-OG1 2.8Å; T209-E216 PolarHBondContact N-O 3.41Å; T209-E216 PolarHBondContact O-N 2.87Å; T209-K218 WeakPolarHBondContact OG1-CE 3.43Å
210I93.2Very high93.8Very high23 Ų2323.9 Ų23.912%0.11813%0.13CC..EExtended strand (participates in β ladder)trans-114.3119.9179.2-53.1175.6000108Y181 R191 V193 I214 F215Y181-I210 HydrophobicContact CD1-CD1 3.85Å; Y181-I210 HydrophobicContact CE1-CD1 3.94Å; R191-I210 PolarHBondContact N-O 3.08Å; R191-I210 PolarHBondContact O-N 2.68Å; V193-I210 HydrophobicContact CB-CD1 4.41Å; V193-I210 HydrophobicContact CG2-CD1 3.84Å; V193-I210 HydrophobicContact CG2-CG1 4.42Å; I210-I214 WeakPolarHBondContact CA-O 3.45Å; I210-F215 HydrophobicContact CD1-CD1 3.9Å; I210-F215 HydrophobicContact CD1-CE1 3.78Å; I210-F215 HydrophobicContact CG1-CD1 3.82Å; I210-F215 HydrophobicContact CG1-CE1 4.09Å; I210-F215 HydrophobicContact CG2-CD1 4.18Å; I210-F215 HydrophobicContact CG2-CE1 3.91Å; I210-F215 HydrophobicContact CG2-CZ 4.11Å
211E91.6Very high93.6Very high85 Ų8522.9 Ų22.940%0.39712%0.121SC..EExtended strand (participates in β ladder)trans-148.5123.7179.8-174.9177-155.900109.5G213 I214E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.1Å; E211-G213 VanDerWaalsContact O-N 3.08Å; E211-I214 PolarHBondContact N-O 3.22Å; E211-I214 WeakPolarHBondContact O-CA 3.35Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.35Å; E211-I214 PolarHBondContact O-N 2.89Å
212D86.4Confident93.5Very high132 Ų13223.7 Ų23.771%0.70613%0.128SC*.THydrogen-bonded Turntrans45.644.6173.8-63.8-24000115.1I214D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.02Å
213G86.6Confident93.2Very high26 Ų2626.5 Ų26.527%0.26814%0.143SC..THydrogen-bonded Turntrans83-4.1-18000000114.9E211 F215 L389 L390E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.1Å; E211-G213 VanDerWaalsContact O-N 3.08Å; G213-F215 VanDerWaalsContact O-CD2 3.31Å; G213-F215 WeakPolarHBondContact O-CD2 3.29Å; G213-L389 WeakPolarHBondContact O-CA 3.46Å; G213-L390 PolarHBondContact O-N 2.9Å
214I91.3Very high92.5Very high67 Ų6727.7 Ų27.734%0.34415%0.151SC..EExtended strand (participates in β ladder)trans-88122.3173.2-53.2175000109I210 E211 D212 L390 L392I210-I214 WeakPolarHBondContact CA-O 3.45Å; E211-I214 PolarHBondContact N-O 3.22Å; E211-I214 WeakPolarHBondContact O-CA 3.35Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.35Å; E211-I214 PolarHBondContact O-N 2.89Å; D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.02Å; I214-L390 WeakPolarHBondContact CA-O 3.31Å; I214-L390 HydrophobicContact CG1-CB 4.33Å; I214-L390 HydrophobicContact CG1-CD2 4.46Å; I214-L390 HydrophobicContact CG2-CD2 4.43Å; I214-L392 HydrophobicContact CG2-CD1 4.23Å
215F93.9Very high91.9Very high7 Ų729.7 Ų29.73%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-109.7100.6175-67-103.5000108.3A178 I210 G213 L389 L390 L391 L392A178-F215 HydrophobicContact CB-CD1 4.4Å; A178-F215 WeakPolarHBondContact O-CE1 3.44Å; I210-F215 HydrophobicContact CD1-CD1 3.9Å; I210-F215 HydrophobicContact CD1-CE1 3.78Å; I210-F215 HydrophobicContact CG1-CD1 3.82Å; I210-F215 HydrophobicContact CG1-CE1 4.09Å; I210-F215 HydrophobicContact CG2-CD1 4.18Å; I210-F215 HydrophobicContact CG2-CE1 3.91Å; I210-F215 HydrophobicContact CG2-CZ 4.11Å; G213-F215 VanDerWaalsContact O-CD2 3.31Å; G213-F215 WeakPolarHBondContact O-CD2 3.29Å; F215-L389 HydrophobicContact CD2-CD1 4.17Å; F215-L389 HydrophobicContact CD2-CD2 4.18Å; F215-L389 HydrophobicContact CD2-CG 3.83Å; F215-L389 HydrophobicContact CE2-CD1 3.66Å; F215-L389 HydrophobicContact CE2-CD2 4.47Å; F215-L389 HydrophobicContact CE2-CG 3.69Å; F215-L389 HydrophobicContact CZ-CD1 4.3Å; F215-L390 PolarHBondContact N-O 3.31Å; F215-L391 HydrophobicContact CB-CD1 3.8Å; F215-L392 PolarHBondContact O-N 3.14Å
216E95.4Very high91.6Very high58 Ų5830 Ų3027%0.27116%0.162SC..EExtended strand (participates in β ladder)trans-108114.4-178-169.4-170.7158.800111.1L208 T209 K218 L392L208-E216 CarbonylContact C-O 3.52Å; L208-E216 VanDerWaalsContact CA-O 3.23Å; L208-E216 WeakPolarHBondContact CA-O 3.44Å; T209-E216 PolarHBondContact N-O 3.41Å; T209-E216 PolarHBondContact O-N 2.87Å; E216-K218 HydrophobicContact CG-CD 4.45Å; E216-K218 PolarHBondContact O-N 3.2Å; E216-K218 IonicContact OE1-NZ 2.76Å; E216-K218 PolarHBondContact OE1-NZ 3.07Å; E216-K218 WeakPolarHBondContact OE2-CE 3.45Å; E216-K218 IonicContact OE2-NZ 3.58Å; E216-K218 PolarHBondContact OE2-NZ 3Å; E216-L392 HydrophobicContact CB-CB 4.31Å; E216-L392 HydrophobicContact CB-CD1 4.41Å; E216-L392 HydrophobicContact CG-CB 4.01Å; E216-L392 HydrophobicContact CG-CD1 4.12Å
217V96.4Very high91.4Very high1 Ų130 Ų301%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-72120.8172.2-1730000108.7T175 L208 L392 V394T175-V217 HydrophobicContact CG2-CG2 4.44Å; L208-V217 HydrophobicContact CD2-CG2 3.67Å; L208-V217 HydrophobicContact CG-CB 4.45Å; L208-V217 HydrophobicContact CG-CG2 3.98Å; V217-L392 PolarHBondContact N-O 2.89Å; V217-V394 HydrophobicContact CB-CG1 4.23Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.5Å; V217-V394 HydrophobicContact CG1-CG2 3.64Å; V217-V394 WeakPolarHBondContact O-CG1 3.41Å
218K97.3Very high91.3Very high62 Ų6230.1 Ų30.127%0.2716%0.163SC..EExtended strand (participates in β ladder)trans-90.8-35.5177.8-61.5-61.9179.9178.80111.9I207 T209 E216 A322 M324I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.21Å; T209-K218 WeakPolarHBondContact OG1-CE 3.43Å; E216-K218 HydrophobicContact CG-CD 4.45Å; E216-K218 PolarHBondContact O-N 3.2Å; E216-K218 IonicContact OE1-NZ 2.76Å; E216-K218 PolarHBondContact OE1-NZ 3.07Å; E216-K218 WeakPolarHBondContact OE2-CE 3.45Å; E216-K218 IonicContact OE2-NZ 3.58Å; E216-K218 PolarHBondContact OE2-NZ 3Å; K218-A322 HydrophobicContact CB-CB 4.04Å; K218-M324 HydrophobicContact CG-CE 4.11Å
219S95.8Very high91.2Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-159.1154.8175.664.50000112S206 I207 A318 N415S206-S219 WeakPolarHBondContact CA-O 3.28Å; I207-S219 PolarHBondContact N-O 2.83Å; I207-S219 PolarHBondContact O-N 2.84Å; S219-A318 WeakPolarHBondContact CB-O 3.46Å; S219-A318 PolarHBondContact OG-O 3.38Å; S219-N415 WeakPolarHBondContact CA-OD1 3.44Å
220T93Very high91.2Very high1 Ų131.1 Ų31.11%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-136.9139.6171.4-168.60000111.5A146 Y147 V205 S206 V394 P396 N415A146-T220 HydrophobicContact CB-CG2 4.44Å; A146-T220 VanDerWaalsContact CB-OG1 3.3Å; A146-T220 WeakPolarHBondContact CB-OG1 3.38Å; Y147-T220 HydrophobicContact CE2-CG2 4.3Å; Y147-T220 PolarHBondContact OH-O 3.31Å; V205-T220 CarbonylContact O-C 3.51Å; V205-T220 WeakPolarHBondContact O-CA 3.44Å; S206-T220 PolarHBondContact OG-OG1 2.89Å; T220-V394 HydrophobicContact CG2-CG2 4.13Å; T220-P396 HydrophobicContact CG2-CB 3.71Å; T220-N415 PolarHBondContact N-OD1 2.74Å; T220-N415 VanDerWaalsContact N-OD1 3.16Å
221A90.4Very high91.4Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-141.1157.5178.100000109.2Y147 D204 V205 P314 K317 A318Y147-A221 VanDerWaalsContact CE2-C 3.4Å; D204-A221 CarbonylContact C-O 3.56Å; V205-A221 PolarHBondContact N-O 3.44Å; V205-A221 PolarHBondContact O-N 2.79Å; V205-A221 VanDerWaalsContact O-O 3.09Å; A221-P314 HydrophobicContact CB-CB 3.89Å; A221-P314 VanDerWaalsContact CB-O 3.24Å; A221-P314 WeakPolarHBondContact CB-O 3.5Å; A221-K317 HydrophobicContact CB-CB 4.2Å; A221-K317 HydrophobicContact CB-CD 4.08Å; A221-K317 HydrophobicContact CB-CG 4.21Å; A221-A318 HydrophobicContact CB-CB 4.08Å
222G88.2Confident91.7Very high16 Ų1626 Ų2617%0.16514%0.143CC..EExtended strand (participates in β ladder)trans179.9178.2179.300000113.8F203F203-G222 CarbonylContact O-C 3.46Å; F203-G222 WeakPolarHBondContact O-CA 3.49Å
223D83.5Confident92.1Very high68 Ų6820.4 Ų20.436%0.36411%0.113SC..EExtended strand (participates in β ladder)trans-133.6120.9170.1-172.5-13.6000109.1F203 H225 L226F203-D223 PolarHBondContact N-O 2.76Å; F203-D223 PolarHBondContact O-N 3.2Å; D223-H225 PolarHBondContact O-N 3.44Å; D223-H225 PolarHBondContact OD1-N 3.38Å; D223-L226 HydrophobicContact CB-CB 3.89Å; D223-L226 HydrophobicContact CB-CD2 4.49Å
224T80Confident92.6Very high26 Ų2622.8 Ų22.816%0.1611%0.114CC..THydrogen-bonded Turntrans-78.7-0.1-177.556.90000113.9R74 G201R74-T224 PolarHBondContact NH2-OG1 3.45Å; G201-T224 CarbonylContact O-C 3.56Å; G201-T224 VanDerWaalsContact O-O 3.08Å
225H82.7Confident92.9Very high43 Ų4319.6 Ų19.620%0.19910%0.098CC..THydrogen-bonded Turntrans-136.440178.7-53.190.2000112.2R74 S80 D84 D223R74-H225 VanDerWaalsContact CZ-NE2 3.29Å; R74-H225 PolarHBondContact NH2-CE1 2.89Å; R74-H225 PolarHBondContact NH2-NE2 3.14Å; S80-H225 WeakPolarHBondContact CB-CE1 3.14Å; S80-H225 WeakPolarHBondContact CB-NE2 3.43Å; S80-H225 PolarHBondContact OG-CE1 3.43Å; S80-H225 VanDerWaalsContact OG-CE1 3.25Å; S80-H225 PolarHBondContact OG-NE2 3.38Å; S80-H225 VanDerWaalsContact OG-NE2 3.14Å; D84-H225 IonicContact OD2-CD2 3.26Å; D223-H225 PolarHBondContact O-N 3.44Å; D223-H225 PolarHBondContact OD1-N 3.38Å
226L89.8Confident93.1Very high7 Ų719.6 Ų19.64%0.03710%0.098CC..  trans-131.1111.4173.8178.759.6000109.5L198 T202 F203 D223 D230 F231 L307 T311L198-L226 HydrophobicContact CD1-CG 4.44Å; T202-L226 CarbonylContact C-O 3.57Å; F203-L226 HydrophobicContact CB-CB 4.08Å; F203-L226 HydrophobicContact CB-CD2 4.29Å; F203-L226 HydrophobicContact CB-CG 4.25Å; F203-L226 WeakPolarHBondContact CB-O 3.29Å; F203-L226 HydrophobicContact CD1-CD2 3.98Å; F203-L226 HydrophobicContact CG-CD2 4.35Å; F203-L226 PolarHBondContact N-O 3.18Å; D223-L226 HydrophobicContact CB-CB 3.89Å; D223-L226 HydrophobicContact CB-CD2 4.49Å; L226-D230 WeakPolarHBondContact CA-OD2 3.5Å; L226-F231 HydrophobicContact CD1-CE1 4.21Å; L226-F231 HydrophobicContact CD1-CZ 4.47Å; L226-L307 HydrophobicContact CD1-CB 3.94Å; L226-L307 HydrophobicContact CD1-CD2 4.11Å; L226-L307 HydrophobicContact CD1-CG 4.45Å; L226-T311 HydrophobicContact CD2-CG2 3.79Å
227G93.9Very high93.1Very high0 Ų019.9 Ų19.90%010%0.102CC..SBendtrans-170.7-163.3175.900000114.2G199 G200 E229 D230 F231G199-G227 WeakPolarHBondContact O-CA 3.45Å; G200-G227 CarbonylContact O-C 3.51Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.39Å; G227-D230 PolarHBondContact N-OD2 3.15Å; G227-D230 WeakPolarHBondContact O-CB 3.3Å; G227-D230 PolarHBondContact O-N 2.66Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G227-F231 WeakPolarHBondContact O-CD2 3.2Å; G227-F231 PolarHBondContact O-N 2.75Å
228G96Very high93.2Very high3 Ų321.9 Ų21.93%0.03111%0.111CC..Hα-helixtrans-53.1-39.4-177.800000115G199 G200 D230 F231 D232 K269 S338G199-G228 PolarHBondContact O-N 2.96Å; G200-G228 PolarHBondContact O-N 2.96Å; G228-D230 VanDerWaalsContact C-N 3.33Å; G228-F231 PolarHBondContact O-N 2.97Å; G228-D232 VanDerWaalsContact O-CG 3.3Å; G228-D232 PolarHBondContact O-N 2.86Å; G228-D232 VanDerWaalsContact O-N 3.08Å; G228-K269 PolarHBondContact O-NZ 2.76Å; G228-S338 VanDerWaalsContact CA-OG 3.3Å; G228-S338 WeakPolarHBondContact CA-OG 3.38Å; G228-S338 PolarHBondContact N-OG 2.87Å
229E94.4Very high93.3Very high5 Ų519 Ų192%0.02310%0.098CC..Hα-helixtrans-67.1-33.2179.6-73.3-64.6152.700112.1G200 G227 F231 D232 N233 R262G200-E229 WeakPolarHBondContact O-CB 3.39Å; G200-E229 PolarHBondContact O-N 3.35Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.39Å; E229-F231 VanDerWaalsContact C-N 3.33Å; E229-D232 PolarHBondContact O-N 3.37Å; E229-N233 WeakPolarHBondContact O-CB 3.29Å; E229-N233 PolarHBondContact O-N 2.84Å; E229-N233 PolarHBondContact O-ND2 2.77Å; E229-R262 IonicContact OE2-NH1 2.71Å
230D95.2Very high93.3Very high23 Ų2319 Ų1912%0.12310%0.099CC..Hα-helixtrans-69.3-36.6177.9-55.3-67.5000110.5R70 L226 G227 G228 N233 R234 L307R70-D230 IonicContact NH2-OD1 2.87Å; R70-D230 IonicContact NH2-OD2 3.62Å; R70-D230 PolarHBondContact NH2-OD2 2.7Å; L226-D230 WeakPolarHBondContact CA-OD2 3.5Å; G227-D230 PolarHBondContact N-OD2 3.15Å; G227-D230 WeakPolarHBondContact O-CB 3.3Å; G227-D230 PolarHBondContact O-N 2.66Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G228-D230 VanDerWaalsContact C-N 3.33Å; D230-N233 PolarHBondContact O-N 2.62Å; D230-R234 WeakPolarHBondContact O-CG 3.35Å; D230-R234 PolarHBondContact O-N 2.88Å; D230-L307 HydrophobicContact CB-CD1 4.2Å
231F97.7Very high93.6Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-66.8-39.3172.1-49.3-35.8000112.1L198 L226 G227 G228 E229 R234 M235 K269 F300 N304 L307 F308 I341L198-F231 HydrophobicContact CD2-CE2 4.29Å; L198-F231 HydrophobicContact CD2-CZ 4.3Å; L226-F231 HydrophobicContact CD1-CE1 4.21Å; L226-F231 HydrophobicContact CD1-CZ 4.47Å; G227-F231 WeakPolarHBondContact O-CD2 3.2Å; G227-F231 PolarHBondContact O-N 2.75Å; G228-F231 PolarHBondContact O-N 2.97Å; E229-F231 VanDerWaalsContact C-N 3.33Å; F231-R234 PolarHBondContact O-N 2.97Å; F231-M235 PolarHBondContact O-N 2.96Å; F231-K269 HydrophobicContact CB-CD 4Å; F231-F300 HydrophobicContact CB-CE2 4.17Å; F231-F300 HydrophobicContact CB-CZ 4.26Å; F231-N304 WeakPolarHBondContact CA-OD1 3.47Å; F231-N304 HydrophobicContact CD1-CB 4.28Å; F231-L307 HydrophobicContact CD1-CB 4.35Å; F231-L307 HydrophobicContact CD1-CD1 3.84Å; F231-L307 HydrophobicContact CE1-CB 3.81Å; F231-L307 HydrophobicContact CE1-CD1 4.04Å; F231-F308 AromaticContact CD1-CE1 3.9Å; F231-F308 HydrophobicContact CD1-CE1 3.9Å; F231-F308 HydrophobicContact CD2-CE1 4.29Å; F231-F308 AromaticContact CE1-CD1 3.84Å; F231-F308 HydrophobicContact CE1-CD1 3.84Å; F231-F308 AromaticContact CE1-CE1 3.57Å; F231-F308 HydrophobicContact CE1-CE1 3.57Å; F231-F308 AromaticContact CE2-CE1 3.99Å; F231-F308 HydrophobicContact CE2-CE1 3.99Å; F231-F308 HydrophobicContact CG-CE1 4.26Å; F231-F308 AromaticContact CZ-CD1 3.94Å; F231-F308 HydrophobicContact CZ-CD1 3.94Å; F231-F308 AromaticContact CZ-CE1 3.64Å; F231-F308 HydrophobicContact CZ-CE1 3.64Å; F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.73Å
232D96.8Very high93.9Very high1 Ų126.7 Ų26.71%0.00513%0.132CC..Hα-helixtrans-64.9-41.1175.6-65.9-27.4000110.9G228 E229 R234 M235 V236 E266 K269G228-D232 VanDerWaalsContact O-CG 3.3Å; G228-D232 PolarHBondContact O-N 2.86Å; G228-D232 VanDerWaalsContact O-N 3.08Å; E229-D232 PolarHBondContact O-N 3.37Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 3.06Å; D232-M235 WeakPolarHBondContact O-CB 3.49Å; D232-M235 PolarHBondContact O-N 2.81Å; D232-M235 VanDerWaalsContact O-N 3.14Å; D232-V236 WeakPolarHBondContact O-CG2 3.23Å; D232-V236 PolarHBondContact O-N 2.75Å; D232-E266 WeakPolarHBondContact OD1-CA 3.48Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.46Å; D232-K269 WeakPolarHBondContact OD1-CE 3.41Å; D232-K269 IonicContact OD1-NZ 2.62Å; D232-K269 PolarHBondContact OD1-NZ 3.23Å; D232-K269 IonicContact OD2-NZ 3.95Å; D232-K269 PolarHBondContact OD2-NZ 3.3Å
233N95.2Very high94.4Very high15 Ų1525.9 Ų25.98%0.0812%0.124CC..Hα-helixtrans-57.7-44.3175.5-75.2-31.4000111.9E229 D230 M235 V236 D237 R262E229-N233 WeakPolarHBondContact O-CB 3.29Å; E229-N233 PolarHBondContact O-N 2.84Å; E229-N233 PolarHBondContact O-ND2 2.77Å; D230-N233 PolarHBondContact O-N 2.62Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.93Å; N233-V236 PolarHBondContact O-N 2.89Å; N233-D237 WeakPolarHBondContact O-CB 3.45Å; N233-D237 PolarHBondContact O-N 2.68Å; N233-R262 PolarHBondContact OD1-NH1 3.27Å; N233-R262 PolarHBondContact OD1-NH2 2.79Å
234R97Very high95Very high76 Ų7626.1 Ų26.129%0.28712%0.123SC..Hα-helixtrans-60.8-39.5175.9-65.3-60.7-174.586.6-1.1112.4D230 F231 D232 H238 L303 N304 D306 L307D230-R234 WeakPolarHBondContact O-CG 3.35Å; D230-R234 PolarHBondContact O-N 2.88Å; F231-R234 PolarHBondContact O-N 2.97Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 3.06Å; R234-H238 WeakPolarHBondContact O-CB 3.29Å; R234-H238 PolarHBondContact O-N 3.02Å; R234-H238 VanDerWaalsContact O-N 3.11Å; R234-L303 PolarHBondContact NH1-O 3.11Å; R234-N304 WeakPolarHBondContact CB-OD1 3.1Å; R234-N304 VanDerWaalsContact CG-OD1 3.24Å; R234-N304 WeakPolarHBondContact CG-OD1 3.25Å; R234-D306 IonicContact CZ-OD1 3.5Å; R234-D306 IonicContact CZ-OD2 2.66Å; R234-D306 IonicContact NH1-OD1 3.95Å; R234-D306 PolarHBondContact NH1-OD1 2.67Å; R234-D306 IonicContact NH1-OD2 3.02Å; R234-D306 PolarHBondContact NH1-OD2 2.92Å; R234-D306 IonicContact NH2-OD1 2.68Å; R234-D306 IonicContact NH2-OD2 3.41Å; R234-D306 PolarHBondContact NH2-OD2 2.82Å; R234-L307 HydrophobicContact CG-CD1 4.06Å
235M98.1Very high95.9Very high0 Ų033.9 Ų33.90%016%0.155CC..Hα-helixtrans-68-46.2176.3-68.4179.265.500111.5F231 D232 N233 D237 H238 F239 C265 A268 K269 I295 F300F231-M235 PolarHBondContact O-N 2.96Å; D232-M235 WeakPolarHBondContact O-CB 3.49Å; D232-M235 PolarHBondContact O-N 2.81Å; D232-M235 VanDerWaalsContact O-N 3.14Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.93Å; M235-D237 PolarHBondContact O-N 2.84Å; M235-H238 WeakPolarHBondContact O-CB 3.47Å; M235-H238 PolarHBondContact O-N 3.07Å; M235-F239 HydrophobicContact CB-CD2 4.41Å; M235-F239 HydrophobicContact CB-CE2 4.31Å; M235-F239 HydrophobicContact CE-CE2 4.13Å; M235-F239 WeakPolarHBondContact O-CD2 3.4Å; M235-F239 PolarHBondContact O-N 3.14Å; M235-C265 HydrophobicContact CB-CB 3.84Å; M235-C265 HydrophobicContact CE-CB 4.15Å; M235-C265 WeakPolarHBondContact CE-O 3.41Å; M235-C265 HydrophobicContact SD-CB 4.49Å; M235-A268 HydrophobicContact CE-CB 3.83Å; M235-K269 HydrophobicContact SD-CB 3.89Å; M235-I295 HydrophobicContact CE-CD1 4.26Å; M235-F300 HydrophobicContact CG-CD2 3.93Å; M235-F300 HydrophobicContact CG-CE2 4.23Å; M235-F300 HydrophobicContact SD-CD2 3.51Å; M235-F300 VanDerWaalsContact SD-CD2 3.51Å; M235-F300 HydrophobicContact SD-CE2 3.67Å
236V97.4Very high96.6Very high6 Ų636.8 Ų36.84%0.03617%0.167CC..Hα-helixtrans-57.8-49.4177.2171.90000110.3D232 N233 H238 F239 V240 L258 L261 R262 C265D232-V236 WeakPolarHBondContact O-CG2 3.23Å; D232-V236 PolarHBondContact O-N 2.75Å; N233-V236 PolarHBondContact O-N 2.89Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.95Å; V236-F239 PolarHBondContact O-N 3.04Å; V236-V240 HydrophobicContact CG1-CG2 4.07Å; V236-V240 WeakPolarHBondContact O-CB 3.08Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.46Å; V236-V240 PolarHBondContact O-N 3.36Å; V236-L258 HydrophobicContact CG1-CD2 4.35Å; V236-L261 HydrophobicContact CG1-CD2 4.36Å; V236-R262 HydrophobicContact CG2-CB 3.85Å; V236-R262 HydrophobicContact CG2-CG 4.2Å; V236-C265 HydrophobicContact CG2-CB 4.18Å
237D97Very high96.9Very high65 Ų6540.3 Ų40.335%0.34818%0.18SC..Hα-helixtrans-60.5-38.7178.8-79.3-16.7000112.8N233 M235 K241N233-D237 WeakPolarHBondContact O-CB 3.45Å; N233-D237 PolarHBondContact O-N 2.68Å; M235-D237 PolarHBondContact O-N 2.84Å; D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.26Å; D237-K241 PolarHBondContact O-N 2.87Å
238H98.1Very high96.9Very high42 Ų4247.3 Ų47.319%0.19422%0.218CC..Hα-helixtrans-62.6-49.5175.5178.450.2000111.4R234 M235 V236 K241 E242 R299 L303R234-H238 WeakPolarHBondContact O-CB 3.29Å; R234-H238 PolarHBondContact O-N 3.02Å; R234-H238 VanDerWaalsContact O-N 3.11Å; M235-H238 WeakPolarHBondContact O-CB 3.47Å; M235-H238 PolarHBondContact O-N 3.07Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.95Å; H238-K241 WeakPolarHBondContact O-CB 3.37Å; H238-K241 PolarHBondContact O-N 3.33Å; H238-E242 PolarHBondContact O-N 2.7Å; H238-R299 PolarHBondContact CE1-NH2 3.3Å; H238-L303 HydrophobicContact CB-CD1 3.98Å; H238-L303 HydrophobicContact CB-CD2 4.12Å
239F98.3Very high96.9Very high1 Ų150.5 Ų50.50%0.00423%0.231CC..Hα-helixtrans-76.7-27.4-176.5-68.8-56.5000114M235 V236 K241 E242 F243 L261 L280 F291 T293 I295M235-F239 HydrophobicContact CB-CD2 4.41Å; M235-F239 HydrophobicContact CB-CE2 4.31Å; M235-F239 HydrophobicContact CE-CE2 4.13Å; M235-F239 WeakPolarHBondContact O-CD2 3.4Å; M235-F239 PolarHBondContact O-N 3.14Å; V236-F239 PolarHBondContact O-N 3.04Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-E242 PolarHBondContact O-N 3.4Å; F239-F243 WeakPolarHBondContact O-CB 3.15Å; F239-F243 PolarHBondContact O-N 3.08Å; F239-L261 HydrophobicContact CB-CD1 3.85Å; F239-L261 HydrophobicContact CB-CD2 4.03Å; F239-L261 HydrophobicContact CB-CG 4.43Å; F239-L261 HydrophobicContact CG-CD1 4.46Å; F239-L280 HydrophobicContact CD2-CD2 3.76Å; F239-L280 HydrophobicContact CE1-CD1 4.29Å; F239-L280 HydrophobicContact CE2-CD1 3.8Å; F239-L280 HydrophobicContact CE2-CD2 3.51Å; F239-L280 HydrophobicContact CE2-CG 4.33Å; F239-L280 HydrophobicContact CG-CD2 4.45Å; F239-L280 HydrophobicContact CZ-CD1 3.52Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.41Å; F239-F291 HydrophobicContact CB-CE1 4.03Å; F239-F291 HydrophobicContact CB-CZ 4.28Å; F239-F291 HydrophobicContact CD1-CE1 4.16Å; F239-F291 HydrophobicContact CD1-CZ 4.09Å; F239-F291 HydrophobicContact CG-CE1 4.29Å; F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.47Å; F239-T293 VanDerWaalsContact CE1-CG2 3.47Å; F239-T293 HydrophobicContact CZ-CG2 4.25Å; F239-I295 HydrophobicContact CE2-CD1 4.12Å; F239-I295 HydrophobicContact CZ-CB 3.94Å; F239-I295 HydrophobicContact CZ-CD1 3.69Å; F239-I295 HydrophobicContact CZ-CG1 4.36Å; F239-I295 HydrophobicContact CZ-CG2 4.29Å
240V97.6Very high96.9Very high2 Ų253.5 Ų53.51%0.01225%0.247CC..Hα-helixtrans-60.2-45.5168.2168.10000110V236 E242 F243 Q244 I251 R252 L258 L261V236-V240 HydrophobicContact CG1-CG2 4.07Å; V236-V240 WeakPolarHBondContact O-CB 3.08Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.46Å; V236-V240 PolarHBondContact O-N 3.36Å; V240-E242 VanDerWaalsContact C-N 3.35Å; V240-F243 PolarHBondContact O-N 3.37Å; V240-Q244 WeakPolarHBondContact O-CB 3.2Å; V240-Q244 PolarHBondContact O-N 3.23Å; V240-I251 HydrophobicContact CG1-CG1 4.43Å; V240-I251 HydrophobicContact CG2-CD1 4.2Å; V240-I251 HydrophobicContact CG2-CG1 4.1Å; V240-R252 HydrophobicContact CG1-CG 3.79Å; V240-L258 HydrophobicContact CG2-CD2 3.67Å; V240-L261 HydrophobicContact CG2-CD2 3.76Å
241K98Very high96.9Very high127 Ų12752.5 Ų52.555%0.55224%0.241SC*.Hα-helixtrans-65.1-39.3176-69.9169.1-176.1170.60111.7D237 H238 F239 K245D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.26Å; D237-K241 PolarHBondContact O-N 2.87Å; H238-K241 WeakPolarHBondContact O-CB 3.37Å; H238-K241 PolarHBondContact O-N 3.33Å; F239-K241 VanDerWaalsContact C-N 3.32Å; K241-K245 WeakPolarHBondContact O-CB 3.42Å; K241-K245 PolarHBondContact O-N 3.06Å
242E97.7Very high96.7Very high34 Ų3457.5 Ų57.516%0.15926%0.26CS..Hα-helixtrans-64.6-46.1176.6-169.9-176.5136.300112.1H238 F239 V240 Q244 K245 K246 F291 T293H238-E242 PolarHBondContact O-N 2.7Å; F239-E242 PolarHBondContact O-N 3.4Å; V240-E242 VanDerWaalsContact C-N 3.35Å; E242-Q244 VanDerWaalsContact C-N 3.35Å; E242-Q244 PolarHBondContact O-N 3.44Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K246 HydrophobicContact CG-CD 4.1Å; E242-K246 HydrophobicContact CG-CG 4.48Å; E242-K246 WeakPolarHBondContact O-CB 3.45Å; E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 2.94Å; E242-K246 VanDerWaalsContact OE1-CE 3.27Å; E242-K246 WeakPolarHBondContact OE1-CE 3.25Å; E242-K246 IonicContact OE1-NZ 3.56Å; E242-K246 PolarHBondContact OE1-NZ 3.18Å; E242-F291 HydrophobicContact CB-CZ 4.49Å; E242-F291 HydrophobicContact CG-CZ 4.48Å; E242-T293 WeakPolarHBondContact OE1-CB 3.24Å; E242-T293 PolarHBondContact OE1-OG1 3.04Å
243F97.7Very high96.4Very high0 Ų062.8 Ų62.80%030%0.297CS..Hα-helixtrans-60.3-45.9176.3-173.8-91.4000110.9F239 V240 K245 K246 Y247 K249 I251 L285 C286 I289 F291F239-F243 WeakPolarHBondContact O-CB 3.15Å; F239-F243 PolarHBondContact O-N 3.08Å; V240-F243 PolarHBondContact O-N 3.37Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.04Å; F243-K246 PolarHBondContact O-N 3.09Å; F243-Y247 HydrophobicContact CD1-CD2 4.48Å; F243-Y247 AromaticContact CD2-CD2 3.51Å; F243-Y247 HydrophobicContact CD2-CD2 3.51Å; F243-Y247 AromaticContact CD2-CE2 3.82Å; F243-Y247 HydrophobicContact CD2-CE2 3.82Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 AromaticContact CE2-CE2 3.96Å; F243-Y247 HydrophobicContact CE2-CE2 3.96Å; F243-Y247 HydrophobicContact CE2-CG 4.26Å; F243-Y247 AromaticContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CZ-CD2 4.09Å; F243-Y247 HydrophobicContact CZ-CG 4.42Å; F243-Y247 WeakPolarHBondContact O-CD2 3.47Å; F243-Y247 PolarHBondContact O-N 3.11Å; F243-K249 WeakPolarHBondContact CD1-O 3.31Å; F243-K249 HydrophobicContact CE1-CB 3.85Å; F243-I251 HydrophobicContact CD1-CG2 3.62Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.25Å; F243-L285 HydrophobicContact CD2-CD2 3.78Å; F243-L285 HydrophobicContact CE2-CB 4.44Å; F243-L285 HydrophobicContact CE2-CD2 3.91Å; F243-L285 HydrophobicContact CE2-CG 4.44Å; F243-L285 HydrophobicContact CG-CD2 4.43Å; F243-C286 HydrophobicContact CE1-CB 4.1Å; F243-C286 HydrophobicContact CZ-CB 3.86Å; F243-I289 HydrophobicContact CE2-CB 4.49Å; F243-I289 HydrophobicContact CE2-CG2 4.02Å; F243-I289 HydrophobicContact CZ-CB 4.28Å; F243-I289 HydrophobicContact CZ-CG2 4.19Å; F243-F291 HydrophobicContact CB-CE2 4.24Å; F243-F291 HydrophobicContact CD2-CB 4.14Å; F243-F291 AromaticContact CD2-CD2 3.62Å; F243-F291 HydrophobicContact CD2-CD2 3.62Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.91Å; F243-F291 HydrophobicContact CD2-CG 3.91Å; F243-F291 HydrophobicContact CE2-CB 4.26Å; F243-F291 HydrophobicContact CE2-CD2 4.38Å
244Q97.3Very high96.3Very high72 Ų7264.7 Ų64.734%0.33631%0.308SS..Hα-helixtrans-59.1-41.6175.2-173.317512.500111.9V240 E242 N248 K249 R252V240-Q244 WeakPolarHBondContact O-CB 3.2Å; V240-Q244 PolarHBondContact O-N 3.23Å; E242-Q244 VanDerWaalsContact C-N 3.35Å; E242-Q244 PolarHBondContact O-N 3.44Å; Q244-N248 WeakPolarHBondContact O-CA 3.41Å; Q244-N248 PolarHBondContact O-N 3.02Å; Q244-K249 VanDerWaalsContact CA-O 3.27Å; Q244-K249 WeakPolarHBondContact CA-O 3.16Å; Q244-R252 VanDerWaalsContact OE1-NH1 3.11Å
245K97.4Very high96.1Very high189 Ų18965.7 Ų65.782%0.82231%0.314SS*.Hα-helixtrans-68-41.2177.3-176.8-179.5176.8-177.10112.8K241 E242 F243K241-K245 WeakPolarHBondContact O-CB 3.42Å; K241-K245 PolarHBondContact O-N 3.06Å; E242-K245 PolarHBondContact O-N 3.45Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.04Å
246K97.2Very high95.9Very high105 Ų10572.5 Ų72.546%0.45734%0.34SS..Hα-helixtrans-75.5-38-176.5-77.7179.6171.3174.40112.8E242 F243 F291E242-K246 HydrophobicContact CG-CD 4.1Å; E242-K246 HydrophobicContact CG-CG 4.48Å; E242-K246 WeakPolarHBondContact O-CB 3.45Å; E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 2.94Å; E242-K246 VanDerWaalsContact OE1-CE 3.27Å; E242-K246 WeakPolarHBondContact OE1-CE 3.25Å; E242-K246 IonicContact OE1-NZ 3.56Å; E242-K246 PolarHBondContact OE1-NZ 3.18Å; F243-K246 PolarHBondContact O-N 3.09Å; K246-F291 HydrophobicContact CD-CE2 4.38Å
247Y96.3Very high95.8Very high80 Ų8072.3 Ų72.331%0.31434%0.339SS..Hα-helixtrans-1221.3-169.3-53.7-77.2000114.2F243 K249 I289 D290 F291F243-Y247 HydrophobicContact CD1-CD2 4.48Å; F243-Y247 AromaticContact CD2-CD2 3.51Å; F243-Y247 HydrophobicContact CD2-CD2 3.51Å; F243-Y247 AromaticContact CD2-CE2 3.82Å; F243-Y247 HydrophobicContact CD2-CE2 3.82Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 AromaticContact CE2-CE2 3.96Å; F243-Y247 HydrophobicContact CE2-CE2 3.96Å; F243-Y247 HydrophobicContact CE2-CG 4.26Å; F243-Y247 AromaticContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CZ-CD2 4.09Å; F243-Y247 HydrophobicContact CZ-CG 4.42Å; F243-Y247 WeakPolarHBondContact O-CD2 3.47Å; F243-Y247 PolarHBondContact O-N 3.11Å; Y247-K249 PolarHBondContact O-N 2.98Å; Y247-I289 HydrophobicContact CD1-CD1 4.31Å; Y247-I289 HydrophobicContact CD1-CG2 3.46Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.46Å; Y247-I289 HydrophobicContact CD2-CG2 4.15Å; Y247-I289 HydrophobicContact CE1-CG2 3.49Å; Y247-I289 VanDerWaalsContact CE1-CG2 3.49Å; Y247-I289 HydrophobicContact CE2-CG2 4.23Å; Y247-I289 HydrophobicContact CG-CD1 4.35Å; Y247-I289 HydrophobicContact CG-CG2 3.79Å; Y247-D290 PolarHBondContact OH-O 2.87Å; Y247-F291 AromaticContact CE2-CD2 3.84Å; Y247-F291 HydrophobicContact CE2-CD2 3.84Å; Y247-F291 HydrophobicContact CE2-CE2 4.3Å
248N95.1Very high95.7Very high147 Ų14771.4 Ų71.479%0.78633%0.333SS*.SBendtrans54.535.9-178.7-162.742.5000113.7Q244Q244-N248 WeakPolarHBondContact O-CA 3.41Å; Q244-N248 PolarHBondContact O-N 3.02Å
249K94.9Very high95.5Very high70 Ų7069.8 Ų69.830%0.30433%0.326SS..  trans-130.9130.8178.3-71.6-170.5-177.2-172.50110.9F243 Q244 Y247 D287 I289F243-K249 WeakPolarHBondContact CD1-O 3.31Å; F243-K249 HydrophobicContact CE1-CB 3.85Å; Q244-K249 VanDerWaalsContact CA-O 3.27Å; Q244-K249 WeakPolarHBondContact CA-O 3.16Å; Y247-K249 PolarHBondContact O-N 2.98Å; K249-D287 WeakPolarHBondContact CD-OD2 3.3Å; K249-D287 WeakPolarHBondContact CE-OD2 3.27Å; K249-D287 IonicContact NZ-OD2 3.59Å; K249-D287 PolarHBondContact NZ-OD2 3.42Å; K249-I289 HydrophobicContact CD-CD1 3.93Å
250D94.8Very high95.4Very high69 Ų6972.9 Ų72.937%0.36934%0.337SS..  trans-93.8122.9173-169-7.8000109.7R252D250-R252 WeakPolarHBondContact OD1-CB 3.28Å; D250-R252 WeakPolarHBondContact OD1-CG 3.5Å; D250-R252 IonicContact OD1-CZ 3.09Å; D250-R252 PolarHBondContact OD1-N 3.43Å; D250-R252 IonicContact OD1-NH1 2.73Å; D250-R252 PolarHBondContact OD1-NH1 3.34Å; D250-R252 IonicContact OD2-CZ 2.52Å; D250-R252 IonicContact OD2-NH1 2.7Å; D250-R252 PolarHBondContact OD2-NH1 3.12Å
251I95.4Very high95.4Very high1 Ų172.8 Ų72.81%0.00534%0.337CS..  trans-96.61.4-179.563.2171.3000113V240 F243 S253 N254 A257 L258 L261 L285 C286V240-I251 HydrophobicContact CG1-CG1 4.43Å; V240-I251 HydrophobicContact CG2-CD1 4.2Å; V240-I251 HydrophobicContact CG2-CG1 4.1Å; F243-I251 HydrophobicContact CD1-CG2 3.62Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.25Å; I251-S253 PolarHBondContact O-N 3.11Å; I251-S253 VanDerWaalsContact O-N 3.15Å; I251-N254 PolarHBondContact O-N 3.03Å; I251-A257 HydrophobicContact CB-CB 4.2Å; I251-A257 HydrophobicContact CD1-CB 4.46Å; I251-A257 HydrophobicContact CG2-CB 4.49Å; I251-L258 HydrophobicContact CD1-CD2 4.33Å; I251-L258 HydrophobicContact CG1-CD2 4.17Å; I251-L258 WeakPolarHBondContact O-CG 3.43Å; I251-L261 HydrophobicContact CD1-CD2 3.92Å; I251-L285 HydrophobicContact CD1-CD2 4.1Å; I251-L285 HydrophobicContact CD1-CG 4.46Å; I251-C286 HydrophobicContact CG2-CB 3.62Å
252R93.2Very high95.2Very high105 Ų10567.7 Ų67.740%0.39631%0.314SS..THydrogen-bonded Turntrans-57-31.3-175.8-75.4173.6-171.499.94.4114.2V240 Q244 D250 L258V240-R252 HydrophobicContact CG1-CG 3.79Å; Q244-R252 VanDerWaalsContact OE1-NH1 3.11Å; D250-R252 WeakPolarHBondContact OD1-CB 3.28Å; D250-R252 WeakPolarHBondContact OD1-CG 3.5Å; D250-R252 IonicContact OD1-CZ 3.09Å; D250-R252 PolarHBondContact OD1-N 3.43Å; D250-R252 IonicContact OD1-NH1 2.73Å; D250-R252 PolarHBondContact OD1-NH1 3.34Å; D250-R252 IonicContact OD2-CZ 2.52Å; D250-R252 IonicContact OD2-NH1 2.7Å; D250-R252 PolarHBondContact OD2-NH1 3.12Å; R252-L258 WeakPolarHBondContact O-CD1 3.41Å
253S91.2Very high95.1Very high112 Ų11268.5 Ų68.578%0.78332%0.322SS*.THydrogen-bonded Turntrans-83.2-15.2176.756.20000113.3I251 K255I251-S253 PolarHBondContact O-N 3.11Å; I251-S253 VanDerWaalsContact O-N 3.15Å; S253-K255 PolarHBondContact O-N 3.31Å
254N93.5Very high95.1Very high55 Ų5569.4 Ų69.429%0.29433%0.329SS..  trans-91.692.8-178.9-173.6-25.2000110.4I251 R256 A257 L258I251-N254 PolarHBondContact O-N 3.03Å; N254-R256 VanDerWaalsContact C-N 3.26Å; N254-R256 PolarHBondContact O-N 2.88Å; N254-R256 PolarHBondContact OD1-N 3.01Å; N254-A257 HydrophobicContact CB-CB 3.88Å; N254-A257 VanDerWaalsContact CG-CB 3.49Å; N254-A257 PolarHBondContact O-N 3.17Å; N254-A257 PolarHBondContact OD1-N 2.76Å; N254-L258 PolarHBondContact O-N 3.41Å
255K92.4Very high95.1Very high97 Ų9766 Ų6642%0.42231%0.313SS..Hα-helixtrans-56.1-37.5-178.2-63-175.4178.5-171.80113.2P61 T62 P89 S253 R259P61-K255 HydrophobicContact CG-CB 4.21Å; T62-K255 HydrophobicContact CG2-CD 3.43Å; T62-K255 VanDerWaalsContact CG2-CD 3.43Å; P89-K255 HydrophobicContact CB-CB 4.44Å; P89-K255 HydrophobicContact CB-CD 4.33Å; P89-K255 WeakPolarHBondContact O-CD 3.38Å; P89-K255 WeakPolarHBondContact O-CE 3.5Å; P89-K255 PolarHBondContact O-NZ 3.43Å; S253-K255 PolarHBondContact O-N 3.31Å; K255-R259 WeakPolarHBondContact O-CB 3.26Å; K255-R259 PolarHBondContact O-N 3.36Å
256R93.2Very high95.1Very high144 Ų14457.5 Ų57.554%0.54328%0.276SS..Hα-helixtrans-66.8-49.4177.5176167.4-173.9-1581.3111.2A58 N254 R259 R260A58-R256 WeakPolarHBondContact O-CG 3.4Å; N254-R256 VanDerWaalsContact C-N 3.26Å; N254-R256 PolarHBondContact O-N 2.88Å; N254-R256 PolarHBondContact OD1-N 3.01Å; R256-R259 PolarHBondContact O-N 3.17Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.34Å; R256-R260 PolarHBondContact O-N 3.17Å
257A95.3Very high95Very high1 Ų161.6 Ų61.61%0.00829%0.289CS..Hα-helixtrans-60.2-47.8177.700000111.3I251 N254 R259 R260 L261 L285I251-A257 HydrophobicContact CB-CB 4.2Å; I251-A257 HydrophobicContact CD1-CB 4.46Å; I251-A257 HydrophobicContact CG2-CB 4.49Å; N254-A257 HydrophobicContact CB-CB 3.88Å; N254-A257 VanDerWaalsContact CG-CB 3.49Å; N254-A257 PolarHBondContact O-N 3.17Å; N254-A257 PolarHBondContact OD1-N 2.76Å; A257-R259 VanDerWaalsContact C-N 3.34Å; A257-R259 PolarHBondContact O-N 3.18Å; A257-R260 PolarHBondContact O-N 3.14Å; A257-L261 PolarHBondContact O-N 3.43Å; A257-L285 HydrophobicContact CB-CD1 4.03Å; A257-L285 HydrophobicContact CB-CG 4.46Å; A257-L285 WeakPolarHBondContact CB-O 3.12Å; A257-L285 WeakPolarHBondContact O-CD1 3.47Å
258L94.8Very high95.1Very high46 Ų4657.9 Ų57.924%0.24128%0.275CS..Hα-helixtrans-58.6-43.3176.9-78.8-177.8000112.7V236 V240 I251 R252 N254 L261 R262V236-L258 HydrophobicContact CG1-CD2 4.35Å; V240-L258 HydrophobicContact CG2-CD2 3.67Å; I251-L258 HydrophobicContact CD1-CD2 4.33Å; I251-L258 HydrophobicContact CG1-CD2 4.17Å; I251-L258 WeakPolarHBondContact O-CG 3.43Å; R252-L258 WeakPolarHBondContact O-CD1 3.41Å; N254-L258 PolarHBondContact O-N 3.41Å; L258-L261 PolarHBondContact O-N 2.62Å; L258-R262 WeakPolarHBondContact O-CB 3.33Å; L258-R262 PolarHBondContact O-N 3.14Å
259R94.1Very high95.3Very high8 Ų851.8 Ų51.83%0.0324%0.241CC..Hα-helixtrans-66.2-39.3179.6-177.663.9-144.7-174.10112.2Y39 V57 P61 K255 R256 A257 R262 T263Y39-R259 PolarHBondContact OH-NH1 3.32Å; Y39-R259 PolarHBondContact OH-NH2 3.5Å; V57-R259 HydrophobicContact CB-CG 4.49Å; V57-R259 HydrophobicContact CG1-CG 3.97Å; V57-R259 HydrophobicContact CG2-CG 3.93Å; P61-R259 HydrophobicContact CB-CB 4.29Å; P61-R259 HydrophobicContact CB-CG 4.48Å; K255-R259 WeakPolarHBondContact O-CB 3.26Å; K255-R259 PolarHBondContact O-N 3.36Å; R256-R259 PolarHBondContact O-N 3.17Å; A257-R259 VanDerWaalsContact C-N 3.34Å; A257-R259 PolarHBondContact O-N 3.18Å; R259-R262 PolarHBondContact O-N 3.42Å; R259-T263 PolarHBondContact NE-OG1 3.34Å; R259-T263 WeakPolarHBondContact O-CB 3.48Å; R259-T263 PolarHBondContact O-N 3.27Å; R259-T263 PolarHBondContact O-OG1 3.32Å
260R95.7Very high95.3Very high67 Ų6754.2 Ų54.225%0.25325%0.249SC..Hα-helixtrans-63.1-44.2174.4-68176.672.5-150.5-1.1111.1A58 R256 A257 T263 A264 I282 D283 S284 L285A58-R260 HydrophobicContact CB-CG 3.92Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.34Å; R256-R260 PolarHBondContact O-N 3.17Å; A257-R260 PolarHBondContact O-N 3.14Å; R260-T263 PolarHBondContact O-N 2.88Å; R260-A264 PolarHBondContact O-N 3.39Å; R260-I282 HydrophobicContact CB-CG2 4.25Å; R260-D283 PolarHBondContact NH1-O 3.04Å; R260-D283 PolarHBondContact NH2-O 3.3Å; R260-S284 PolarHBondContact NH1-O 2.92Å; R260-L285 HydrophobicContact CB-CD1 4.39Å
261L97.3Very high95.5Very high0 Ų053 Ų530%024%0.244CC..Hα-helixtrans-60.9-46175179.859.9000112.2V236 F239 V240 I251 A257 L258 T263 A264 C265 L280 I282 L285 F291V236-L261 HydrophobicContact CG1-CD2 4.36Å; F239-L261 HydrophobicContact CB-CD1 3.85Å; F239-L261 HydrophobicContact CB-CD2 4.03Å; F239-L261 HydrophobicContact CB-CG 4.43Å; F239-L261 HydrophobicContact CG-CD1 4.46Å; V240-L261 HydrophobicContact CG2-CD2 3.76Å; I251-L261 HydrophobicContact CD1-CD2 3.92Å; A257-L261 PolarHBondContact O-N 3.43Å; L258-L261 PolarHBondContact O-N 2.62Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 3.4Å; L261-A264 PolarHBondContact O-N 3.47Å; L261-C265 PolarHBondContact O-N 3.01Å; L261-C265 PolarHBondContact O-SG 3.3Å; L261-L280 HydrophobicContact CD1-CD2 4.45Å; L261-I282 HydrophobicContact CB-CD1 4.26Å; L261-I282 HydrophobicContact CD1-CD1 3.79Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; L261-F291 HydrophobicContact CD1-CD1 4.35Å; L261-F291 HydrophobicContact CD1-CE1 4.19Å
262R95.7Very high95.6Very high20 Ų2053.1 Ų53.18%0.07524%0.244CC..Hα-helixtrans-58.3-45.3175.8-178.6179.9-66.3-77.1-3.4112.1E229 N233 V236 L258 R259 A264 C265 E266E229-R262 IonicContact OE2-NH1 2.71Å; N233-R262 PolarHBondContact OD1-NH1 3.27Å; N233-R262 PolarHBondContact OD1-NH2 2.79Å; V236-R262 HydrophobicContact CG2-CB 3.85Å; V236-R262 HydrophobicContact CG2-CG 4.2Å; L258-R262 WeakPolarHBondContact O-CB 3.33Å; L258-R262 PolarHBondContact O-N 3.14Å; R259-R262 PolarHBondContact O-N 3.42Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 2.81Å; R262-C265 WeakPolarHBondContact O-CB 3.43Å; R262-C265 PolarHBondContact O-N 2.65Å; R262-C265 VanDerWaalsContact O-N 3.1Å; R262-E266 PolarHBondContact O-N 3.03Å
263T94.6Very high95.8Very high51 Ų5149.5 Ų49.531%0.31324%0.235SC..Hα-helixtrans-61-41.3178.1-53.60000111.2R259 R260 L261 R267R259-T263 PolarHBondContact NE-OG1 3.34Å; R259-T263 WeakPolarHBondContact O-CB 3.48Å; R259-T263 PolarHBondContact O-N 3.27Å; R259-T263 PolarHBondContact O-OG1 3.32Å; R260-T263 PolarHBondContact O-N 2.88Å; L261-T263 VanDerWaalsContact C-N 3.34Å; L261-T263 PolarHBondContact O-N 3.4Å; T263-R267 WeakPolarHBondContact O-CB 3.39Å; T263-R267 PolarHBondContact O-N 2.89Å; T263-R267 VanDerWaalsContact O-N 3.1Å
264A97.2Very high96Very high19 Ų1948.8 Ų48.816%0.15723%0.23CC..Hα-helixtrans-66.6-37.1173.700000112.6R260 L261 R262 R267 A268 L280 I282R260-A264 PolarHBondContact O-N 3.39Å; L261-A264 PolarHBondContact O-N 3.47Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 2.81Å; A264-R267 PolarHBondContact O-N 3.31Å; A264-A268 VanDerWaalsContact O-CB 3.27Å; A264-A268 WeakPolarHBondContact O-CB 3.41Å; A264-A268 PolarHBondContact O-N 2.76Å; A264-L280 HydrophobicContact CB-CD2 4.18Å; A264-I282 HydrophobicContact CB-CD1 3.61Å; A264-I282 HydrophobicContact CB-CG1 3.86Å
265C98Very high96.2Very high0 Ų048.5 Ų48.50%023%0.233CC..Hα-helixtrans-65.1-47.1175.7-66.90000112M235 V236 L261 R262 R267 A268 K269M235-C265 HydrophobicContact CB-CB 3.84Å; M235-C265 HydrophobicContact CE-CB 4.15Å; M235-C265 WeakPolarHBondContact CE-O 3.41Å; M235-C265 HydrophobicContact SD-CB 4.49Å; V236-C265 HydrophobicContact CG2-CB 4.18Å; L261-C265 PolarHBondContact O-N 3.01Å; L261-C265 PolarHBondContact O-SG 3.3Å; R262-C265 WeakPolarHBondContact O-CB 3.43Å; R262-C265 PolarHBondContact O-N 2.65Å; R262-C265 VanDerWaalsContact O-N 3.1Å; C265-R267 VanDerWaalsContact C-N 3.32Å; C265-R267 PolarHBondContact O-N 2.83Å; C265-A268 PolarHBondContact O-N 3.13Å; C265-K269 WeakPolarHBondContact O-CB 3.38Å; C265-K269 PolarHBondContact O-N 3.09Å
266E96.4Very high96.5Very high11 Ų1147.3 Ų47.35%0.05124%0.241CC..Hα-helixtrans-57.1-47.3175.8-174-160172.300110.3K54 D232 R262 K269 R270K54-E266 IonicContact NZ-OE1 3.49Å; K54-E266 PolarHBondContact NZ-OE1 3.32Å; K54-E266 IonicContact NZ-OE2 2.95Å; K54-E266 PolarHBondContact NZ-OE2 2.9Å; D232-E266 WeakPolarHBondContact OD1-CA 3.48Å; R262-E266 PolarHBondContact O-N 3.03Å; E266-K269 WeakPolarHBondContact O-CB 3.05Å; E266-K269 PolarHBondContact O-N 2.86Å; E266-R270 WeakPolarHBondContact O-CG 3.04Å; E266-R270 PolarHBondContact O-N 3.46Å; E266-R270 IonicContact OE1-CZ 3.43Å; E266-R270 VanDerWaalsContact OE1-CZ 3.31Å; E266-R270 IonicContact OE1-NE 3.5Å; E266-R270 PolarHBondContact OE1-NE 3.36Å; E266-R270 IonicContact OE1-NH2 3.27Å; E266-R270 PolarHBondContact OE1-NH2 3.06Å
267R96.5Very high96.7Very high190 Ų19046.2 Ų46.272%0.71724%0.242SC*.Hα-helixtrans-60.8-47176.7-174.1178.3-178-1780.7111.4T263 A264 C265 R270 T271T263-R267 WeakPolarHBondContact O-CB 3.39Å; T263-R267 PolarHBondContact O-N 2.89Å; T263-R267 VanDerWaalsContact O-N 3.1Å; A264-R267 PolarHBondContact O-N 3.31Å; C265-R267 VanDerWaalsContact C-N 3.32Å; C265-R267 PolarHBondContact O-N 2.83Å; R267-R270 PolarHBondContact O-N 3.18Å; R267-T271 PolarHBondContact O-N 3.24Å; R267-T271 PolarHBondContact O-OG1 3.21Å; R267-T271 VanDerWaalsContact O-OG1 3.08Å
268A98.2Very high96.8Very high3 Ų347.4 Ų47.43%0.02525%0.249CC..Hα-helixtrans-61.1-45.1177.900000111.6M235 A264 C265 R270 T271 L272 T278 L280 I295M235-A268 HydrophobicContact CE-CB 3.83Å; A264-A268 VanDerWaalsContact O-CB 3.27Å; A264-A268 WeakPolarHBondContact O-CB 3.41Å; A264-A268 PolarHBondContact O-N 2.76Å; C265-A268 PolarHBondContact O-N 3.13Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 2.98Å; A268-T271 PolarHBondContact O-N 3.26Å; A268-L272 WeakPolarHBondContact O-CB 3.15Å; A268-L272 VanDerWaalsContact O-CG 3.24Å; A268-L272 WeakPolarHBondContact O-CG 3.41Å; A268-L272 PolarHBondContact O-N 3.23Å; A268-T278 HydrophobicContact CB-CG2 3.62Å; A268-L280 HydrophobicContact CB-CD1 3.94Å; A268-L280 HydrophobicContact CB-CD2 4.48Å; A268-L280 HydrophobicContact CB-CG 4.03Å; A268-I295 HydrophobicContact CB-CG2 4.4Å
269K97.9Very high97Very high18 Ų1849.1 Ų49.18%0.07826%0.258CS..Hα-helixtrans-54.4-47.6175.2179.2-173.272.3-161.70111.8G228 F231 D232 M235 C265 E266 L272 S273 F300G228-K269 PolarHBondContact O-NZ 2.76Å; F231-K269 HydrophobicContact CB-CD 4Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.46Å; D232-K269 WeakPolarHBondContact OD1-CE 3.41Å; D232-K269 IonicContact OD1-NZ 2.62Å; D232-K269 PolarHBondContact OD1-NZ 3.23Å; D232-K269 IonicContact OD2-NZ 3.95Å; D232-K269 PolarHBondContact OD2-NZ 3.3Å; M235-K269 HydrophobicContact SD-CB 3.89Å; C265-K269 WeakPolarHBondContact O-CB 3.38Å; C265-K269 PolarHBondContact O-N 3.09Å; E266-K269 WeakPolarHBondContact O-CB 3.05Å; E266-K269 PolarHBondContact O-N 2.86Å; K269-L272 PolarHBondContact O-N 2.63Å; K269-S273 PolarHBondContact O-N 3.31Å; K269-S273 PolarHBondContact O-OG 3.48Å; K269-F300 HydrophobicContact CB-CE2 4.48Å; K269-F300 HydrophobicContact CD-CE2 4.4Å; K269-F300 HydrophobicContact CD-CZ 4.28Å; K269-F300 HydrophobicContact CG-CE2 3.94Å; K269-F300 HydrophobicContact CG-CZ 3.77Å
270R96.7Very high97.1Very high122 Ų12248.8 Ų48.846%0.4626%0.257SS..Hα-helixtrans-61.3-49.3177.2-69.7177.3-175.6-146.7-0.1111.1Y13 E266 R267 A268 L272 S273Y13-R270 VanDerWaalsContact CZ-NH2 3.28Å; Y13-R270 PolarHBondContact OH-NH2 3.33Å; E266-R270 WeakPolarHBondContact O-CG 3.04Å; E266-R270 PolarHBondContact O-N 3.46Å; E266-R270 IonicContact OE1-CZ 3.43Å; E266-R270 VanDerWaalsContact OE1-CZ 3.31Å; E266-R270 IonicContact OE1-NE 3.5Å; E266-R270 PolarHBondContact OE1-NE 3.36Å; E266-R270 IonicContact OE1-NH2 3.27Å; E266-R270 PolarHBondContact OE1-NH2 3.06Å; R267-R270 PolarHBondContact O-N 3.18Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 2.98Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 2.93Å; R270-S273 VanDerWaalsContact O-CB 3.24Å; R270-S273 WeakPolarHBondContact O-CB 3.46Å; R270-S273 PolarHBondContact O-N 3.27Å; R270-S273 PolarHBondContact O-OG 3.13Å
271T97.8Very high97.1Very high44 Ų4451.4 Ų51.427%0.2727%0.272SS..Hα-helixtrans-59.1-39.1177.4-54.70000111.9R267 A268 S273 S274 S275 T278R267-T271 PolarHBondContact O-N 3.24Å; R267-T271 PolarHBondContact O-OG1 3.21Å; R267-T271 VanDerWaalsContact O-OG1 3.08Å; A268-T271 PolarHBondContact O-N 3.26Å; T271-S273 PolarHBondContact O-N 2.99Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 VanDerWaalsContact O-N 3.16Å; T271-S274 PolarHBondContact O-OG 2.98Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.41Å; T271-S275 PolarHBondContact O-N 3.37Å; T271-T278 WeakPolarHBondContact CG2-OG1 3.45Å
272L98.3Very high97.1Very high2 Ų251.8 Ų51.81%0.0127%0.274CS..Hα-helixtrans-65.4-17.1177.3-71.9177.4000113.6A268 K269 R270 S274 S275 T278 I295 R297 F300A268-L272 WeakPolarHBondContact O-CB 3.15Å; A268-L272 VanDerWaalsContact O-CG 3.24Å; A268-L272 WeakPolarHBondContact O-CG 3.41Å; A268-L272 PolarHBondContact O-N 3.23Å; K269-L272 PolarHBondContact O-N 2.63Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 2.93Å; L272-S274 VanDerWaalsContact C-N 3.29Å; L272-S274 PolarHBondContact O-N 3.44Å; L272-S275 CarbonylContact C-O 3.15Å; L272-S275 WeakPolarHBondContact CA-O 3.49Å; L272-T278 HydrophobicContact CD2-CG2 3.97Å; L272-T278 HydrophobicContact CG-CG2 3.88Å; L272-I295 HydrophobicContact CD1-CG1 4.38Å; L272-I295 HydrophobicContact CD1-CG2 4.03Å; L272-R297 HydrophobicContact CD2-CB 4.17Å; L272-R297 PolarHBondContact O-NE 3.39Å; L272-R297 PolarHBondContact O-NH2 2.89Å; L272-F300 HydrophobicContact CD1-CB 3.54Å; L272-F300 HydrophobicContact CD1-CD1 4.38Å; L272-F300 HydrophobicContact CD1-CG 3.9Å
273S96.3Very high97.1Very high29 Ų2955.1 Ų55.120%0.20329%0.294CS..Hα-helixtrans-70.4-26.6175.2-58.50000112.4K269 R270 T271 P342K269-S273 PolarHBondContact O-N 3.31Å; K269-S273 PolarHBondContact O-OG 3.48Å; R270-S273 VanDerWaalsContact O-CB 3.24Å; R270-S273 WeakPolarHBondContact O-CB 3.46Å; R270-S273 PolarHBondContact O-N 3.27Å; R270-S273 PolarHBondContact O-OG 3.13Å; T271-S273 PolarHBondContact O-N 2.99Å; S273-P342 VanDerWaalsContact O-CG 3.24Å; S273-P342 WeakPolarHBondContact O-CG 3.4Å
274S96.3Very high97.2Very high98 Ų9855.8 Ų55.869%0.68530%0.3SS*.Hα-helixtrans-110.5-27.3175.559.10000113.1T271 L272 R297T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 VanDerWaalsContact O-N 3.16Å; T271-S274 PolarHBondContact O-OG 2.98Å; L272-S274 VanDerWaalsContact C-N 3.29Å; L272-S274 PolarHBondContact O-N 3.44Å; S274-R297 PolarHBondContact O-NH2 2.88Å; S274-R297 VanDerWaalsContact O-NH2 3.14Å
275S97.8Very high97.1Very high49 Ų4955.1 Ų55.134%0.34329%0.294SS..SBendtrans-111.5148.5-174.4-61.80000113.2T271 L272 Q277 R297T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.41Å; T271-S275 PolarHBondContact O-N 3.37Å; L272-S275 CarbonylContact C-O 3.15Å; L272-S275 WeakPolarHBondContact CA-O 3.49Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.43Å; S275-R297 VanDerWaalsContact N-NH2 3.13Å; S275-R297 PolarHBondContact O-NE 3.39Å; S275-R297 PolarHBondContact O-NH2 3.19Å
276A97.8Very high96.9Very high72 Ų7255.7 Ų55.760%0.59530%0.298SS*.SBendtrans-74.8-19.5-178.900000113.4R297A276-R297 WeakPolarHBondContact O-CB 3.27Å; A276-R297 PolarHBondContact O-N 2.78Å
277Q98Very high96.7Very high121 Ų12160.7 Ų60.757%0.56533%0.325SS*.EExtended strand (participates in β ladder)trans-154.8163177.367.5-177.718.700110.5S275 I295 T296S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.43Å; Q277-I295 CarbonylContact C-O 3.58Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.42Å; Q277-T296 HydrophobicContact CB-CG2 4.29Å
278T98.2Very high96.6Very high25 Ų2554.3 Ų54.315%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-157.1161.5173.6-166.80000110.6A268 T271 L272 I295A268-T278 HydrophobicContact CB-CG2 3.62Å; T271-T278 WeakPolarHBondContact CG2-OG1 3.45Å; L272-T278 HydrophobicContact CD2-CG2 3.97Å; L272-T278 HydrophobicContact CG-CG2 3.88Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 3.24Å; T278-I295 PolarHBondContact O-N 2.95Å
279N97.5Very high96.5Very high82 Ų8256 Ų5644%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-97.1144.6177.9-58.7-10.5000110.2E281 T293 V294N279-E281 HydrophobicContact CB-CG 3.84Å; N279-E281 WeakPolarHBondContact CB-OE1 3.49Å; N279-E281 PolarHBondContact ND2-OE1 3.34Å; N279-T293 WeakPolarHBondContact CA-O 3.38Å; N279-V294 WeakPolarHBondContact OD1-CG2 3.31Å
280L97.3Very high96.4Very high2 Ų258.1 Ų58.11%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-104.8118.4160.6-69.988.7000107.5F239 L261 A264 A268 Y292 T293 I295F239-L280 HydrophobicContact CD2-CD2 3.76Å; F239-L280 HydrophobicContact CE1-CD1 4.29Å; F239-L280 HydrophobicContact CE2-CD1 3.8Å; F239-L280 HydrophobicContact CE2-CD2 3.51Å; F239-L280 HydrophobicContact CE2-CG 4.33Å; F239-L280 HydrophobicContact CG-CD2 4.45Å; F239-L280 HydrophobicContact CZ-CD1 3.52Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.41Å; L261-L280 HydrophobicContact CD1-CD2 4.45Å; A264-L280 HydrophobicContact CB-CD2 4.18Å; A268-L280 HydrophobicContact CB-CD1 3.94Å; A268-L280 HydrophobicContact CB-CD2 4.48Å; A268-L280 HydrophobicContact CB-CG 4.03Å; L280-Y292 WeakPolarHBondContact O-CA 3.49Å; L280-T293 HydrophobicContact CB-CG2 3.95Å; L280-T293 HydrophobicContact CD1-CG2 4.28Å; L280-T293 PolarHBondContact N-O 3.27Å; L280-T293 PolarHBondContact O-N 3.37Å; L280-I295 HydrophobicContact CD1-CB 4.22Å; L280-I295 HydrophobicContact CD1-CG2 3.46Å; L280-I295 VanDerWaalsContact CD1-CG2 3.46Å
281E95.5Very high96.5Very high122 Ų12252.3 Ų52.357%0.5732%0.317SS*.EExtended strand (participates in β ladder)trans-127111-175.9-54.2-173.9-177.900107.8N279 Y292N279-E281 HydrophobicContact CB-CG 3.84Å; N279-E281 WeakPolarHBondContact CB-OE1 3.49Å; N279-E281 PolarHBondContact ND2-OE1 3.34Å; E281-Y292 HydrophobicContact CB-CD1 3.74Å; E281-Y292 HydrophobicContact CB-CE1 3.88Å; E281-Y292 HydrophobicContact CG-CD1 3.87Å; E281-Y292 HydrophobicContact CG-CE1 4.37Å
282I97.2Very high96.5Very high8 Ų855.4 Ų55.44%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-135.2101.5-176.9-43.8173.9000109.8R260 L261 A264 L285 F291R260-I282 HydrophobicContact CB-CG2 4.25Å; L261-I282 HydrophobicContact CB-CD1 4.26Å; L261-I282 HydrophobicContact CD1-CD1 3.79Å; A264-I282 HydrophobicContact CB-CD1 3.61Å; A264-I282 HydrophobicContact CB-CG1 3.86Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.12Å; I282-L285 HydrophobicContact CG2-CD1 3.9Å; I282-F291 HydrophobicContact CD1-CD1 4.44Å; I282-F291 PolarHBondContact N-O 2.88Å; I282-F291 PolarHBondContact O-N 2.83Å
283D96.2Very high96.4Very high90 Ų9056.1 Ų56.148%0.48133%0.329SS..EExtended strand (participates in β ladder)trans-66.4137.6178.8-52.8-30.6000111.1R260 L285 D290 Y292R260-D283 PolarHBondContact NH1-O 3.04Å; R260-D283 PolarHBondContact NH2-O 3.3Å; D283-L285 PolarHBondContact O-N 2.88Å; D283-L285 VanDerWaalsContact O-N 3.15Å; D283-D290 WeakPolarHBondContact CA-OD1 3.43Å; D283-Y292 PolarHBondContact OD1-OH 3.25Å
284S95.3Very high96.5Very high65 Ų6558.6 Ų58.646%0.45534%0.342SS..EExtended strand (participates in β ladder)trans46.548.8176.4-65.80000112.4R260 C286 I289 D290R260-S284 PolarHBondContact NH1-O 2.92Å; S284-C286 VanDerWaalsContact C-N 3.29Å; S284-C286 PolarHBondContact O-N 3.32Å; S284-I289 CarbonylContact C-O 3.53Å; S284-I289 WeakPolarHBondContact CA-O 3.34Å; S284-D290 PolarHBondContact N-OD1 3.46Å
285L96Very high96.6Very high5 Ų554 Ų543%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-56.8-45.4-177.9175.461.7000110.9F243 I251 A257 R260 L261 I282 D283 I289 F291F243-L285 HydrophobicContact CD2-CD2 3.78Å; F243-L285 HydrophobicContact CE2-CB 4.44Å; F243-L285 HydrophobicContact CE2-CD2 3.91Å; F243-L285 HydrophobicContact CE2-CG 4.44Å; F243-L285 HydrophobicContact CG-CD2 4.43Å; I251-L285 HydrophobicContact CD1-CD2 4.1Å; I251-L285 HydrophobicContact CD1-CG 4.46Å; A257-L285 HydrophobicContact CB-CD1 4.03Å; A257-L285 HydrophobicContact CB-CG 4.46Å; A257-L285 WeakPolarHBondContact CB-O 3.12Å; A257-L285 WeakPolarHBondContact O-CD1 3.47Å; R260-L285 HydrophobicContact CB-CD1 4.39Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.12Å; I282-L285 HydrophobicContact CG2-CD1 3.9Å; D283-L285 PolarHBondContact O-N 2.88Å; D283-L285 VanDerWaalsContact O-N 3.15Å; L285-I289 PolarHBondContact N-O 3.39Å; L285-F291 HydrophobicContact CB-CB 4.02Å; L285-F291 HydrophobicContact CD2-CB 3.57Å; L285-F291 HydrophobicContact CD2-CD1 3.88Å; L285-F291 HydrophobicContact CD2-CG 3.87Å; L285-F291 HydrophobicContact CG-CB 4.44Å
286C94.3Very high96.6Very high11 Ų1154.5 Ų54.57%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-149.2132.1176-169.70000110.4F243 I251 S284 G288 I289F243-C286 HydrophobicContact CE1-CB 4.1Å; F243-C286 HydrophobicContact CZ-CB 3.86Å; I251-C286 HydrophobicContact CG2-CB 3.62Å; S284-C286 VanDerWaalsContact C-N 3.29Å; S284-C286 PolarHBondContact O-N 3.32Å; C286-G288 VanDerWaalsContact C-N 3.28Å; C286-G288 PolarHBondContact O-N 2.97Å; C286-I289 VanDerWaalsContact O-CB 3.25Å; C286-I289 WeakPolarHBondContact O-CB 3.45Å; C286-I289 WeakPolarHBondContact O-CG1 3.24Å; C286-I289 PolarHBondContact O-N 3.27Å
287D91.2Very high96.7Very high117 Ų11753.9 Ų53.963%0.62629%0.293SS*.THydrogen-bonded Turntrans49.941.2176.7-56.4-24000114.9K249 I289K249-D287 WeakPolarHBondContact CD-OD2 3.3Å; K249-D287 WeakPolarHBondContact CE-OD2 3.27Å; K249-D287 IonicContact NZ-OD2 3.59Å; K249-D287 PolarHBondContact NZ-OD2 3.42Å; D287-I289 PolarHBondContact O-N 2.79Å
288G93.8Very high96.7Very high56 Ų5651.4 Ų51.458%0.57729%0.294SS*.THydrogen-bonded Turntrans73.16-178.500000114.9C286C286-G288 VanDerWaalsContact C-N 3.28Å; C286-G288 PolarHBondContact O-N 2.97Å
289I96.5Very high96.7Very high37 Ų3754.2 Ų54.219%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-86.3118176.7-56.7177.7000109.1F243 Y247 K249 S284 L285 C286 D287F243-I289 HydrophobicContact CE2-CB 4.49Å; F243-I289 HydrophobicContact CE2-CG2 4.02Å; F243-I289 HydrophobicContact CZ-CB 4.28Å; F243-I289 HydrophobicContact CZ-CG2 4.19Å; Y247-I289 HydrophobicContact CD1-CD1 4.31Å; Y247-I289 HydrophobicContact CD1-CG2 3.46Å; Y247-I289 VanDerWaalsContact CD1-CG2 3.46Å; Y247-I289 HydrophobicContact CD2-CG2 4.15Å; Y247-I289 HydrophobicContact CE1-CG2 3.49Å; Y247-I289 VanDerWaalsContact CE1-CG2 3.49Å; Y247-I289 HydrophobicContact CE2-CG2 4.23Å; Y247-I289 HydrophobicContact CG-CD1 4.35Å; Y247-I289 HydrophobicContact CG-CG2 3.79Å; K249-I289 HydrophobicContact CD-CD1 3.93Å; S284-I289 CarbonylContact C-O 3.53Å; S284-I289 WeakPolarHBondContact CA-O 3.34Å; L285-I289 PolarHBondContact N-O 3.39Å; C286-I289 VanDerWaalsContact O-CB 3.25Å; C286-I289 WeakPolarHBondContact O-CB 3.45Å; C286-I289 WeakPolarHBondContact O-CG1 3.24Å; C286-I289 PolarHBondContact O-N 3.27Å; D287-I289 PolarHBondContact O-N 2.79Å
290D97.3Very high96.7Very high63 Ų6350.5 Ų50.534%0.33728%0.281SS..EExtended strand (participates in β ladder)trans-72.8141.7169.6-50.9-35.9000110.5Y247 D283 S284 Y292Y247-D290 PolarHBondContact OH-O 2.87Å; D283-D290 WeakPolarHBondContact CA-OD1 3.43Å; S284-D290 PolarHBondContact N-OD1 3.46Å; D290-Y292 HydrophobicContact CB-CD2 3.95Å; D290-Y292 HydrophobicContact CB-CE2 3.27Å
291F97.9Very high96.8Very high0 Ų052.5 Ų52.50%029%0.291CS..EExtended strand (participates in β ladder)trans-115.7105.9176.2-173.1-124.3000110.4F239 E242 F243 K246 Y247 L261 I282 L285 T293F239-F291 HydrophobicContact CB-CE1 4.03Å; F239-F291 HydrophobicContact CB-CZ 4.28Å; F239-F291 HydrophobicContact CD1-CE1 4.16Å; F239-F291 HydrophobicContact CD1-CZ 4.09Å; F239-F291 HydrophobicContact CG-CE1 4.29Å; E242-F291 HydrophobicContact CB-CZ 4.49Å; E242-F291 HydrophobicContact CG-CZ 4.48Å; F243-F291 HydrophobicContact CB-CE2 4.24Å; F243-F291 HydrophobicContact CD2-CB 4.14Å; F243-F291 AromaticContact CD2-CD2 3.62Å; F243-F291 HydrophobicContact CD2-CD2 3.62Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.91Å; F243-F291 HydrophobicContact CD2-CG 3.91Å; F243-F291 HydrophobicContact CE2-CB 4.26Å; F243-F291 HydrophobicContact CE2-CD2 4.38Å; K246-F291 HydrophobicContact CD-CE2 4.38Å; Y247-F291 AromaticContact CE2-CD2 3.84Å; Y247-F291 HydrophobicContact CE2-CD2 3.84Å; Y247-F291 HydrophobicContact CE2-CE2 4.3Å; L261-F291 HydrophobicContact CD1-CD1 4.35Å; L261-F291 HydrophobicContact CD1-CE1 4.19Å; I282-F291 HydrophobicContact CD1-CD1 4.44Å; I282-F291 PolarHBondContact N-O 2.88Å; I282-F291 PolarHBondContact O-N 2.83Å; L285-F291 HydrophobicContact CB-CB 4.02Å; L285-F291 HydrophobicContact CD2-CB 3.57Å; L285-F291 HydrophobicContact CD2-CD1 3.88Å; L285-F291 HydrophobicContact CD2-CG 3.87Å; L285-F291 HydrophobicContact CG-CB 4.44Å; F291-T293 HydrophobicContact CE1-CG2 3.73Å; F291-T293 HydrophobicContact CE2-CG2 4.46Å; F291-T293 HydrophobicContact CZ-CG2 3.71Å
292Y97.2Very high96.9Very high109 Ų10952.5 Ų52.543%0.42729%0.291SS..EExtended strand (participates in β ladder)trans-114124.7173.4-55.9-74.4000109.4L280 E281 D283 D290L280-Y292 WeakPolarHBondContact O-CA 3.49Å; E281-Y292 HydrophobicContact CB-CD1 3.74Å; E281-Y292 HydrophobicContact CB-CE1 3.88Å; E281-Y292 HydrophobicContact CG-CD1 3.87Å; E281-Y292 HydrophobicContact CG-CE1 4.37Å; D283-Y292 PolarHBondContact OD1-OH 3.25Å; D290-Y292 HydrophobicContact CB-CD2 3.95Å; D290-Y292 HydrophobicContact CB-CE2 3.27Å
293T97.5Very high97Very high18 Ų1853.6 Ų53.611%0.1130%0.296CS..EExtended strand (participates in β ladder)trans-150.9165.2174.3-164.60000110.9F239 E242 N279 L280 F291F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.47Å; F239-T293 VanDerWaalsContact CE1-CG2 3.47Å; F239-T293 HydrophobicContact CZ-CG2 4.25Å; E242-T293 WeakPolarHBondContact OE1-CB 3.24Å; E242-T293 PolarHBondContact OE1-OG1 3.04Å; N279-T293 WeakPolarHBondContact CA-O 3.38Å; L280-T293 HydrophobicContact CB-CG2 3.95Å; L280-T293 HydrophobicContact CD1-CG2 4.28Å; L280-T293 PolarHBondContact N-O 3.27Å; L280-T293 PolarHBondContact O-N 3.37Å; F291-T293 HydrophobicContact CE1-CG2 3.73Å; F291-T293 HydrophobicContact CE2-CG2 4.46Å; F291-T293 HydrophobicContact CZ-CG2 3.71Å
294V97.8Very high97.1Very high80 Ų8049.3 Ų49.349%0.48527%0.273SS..EExtended strand (participates in β ladder)trans-120.7139.9-179.7-178.50000108.2N279N279-V294 WeakPolarHBondContact OD1-CG2 3.31Å
295I98.5Very high97.2Very high3 Ų347.3 Ų47.32%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-126.6134.7171.4-172.6160000110.6M235 F239 A268 L272 Q277 T278 L280 R299 F300 L303M235-I295 HydrophobicContact CE-CD1 4.26Å; F239-I295 HydrophobicContact CE2-CD1 4.12Å; F239-I295 HydrophobicContact CZ-CB 3.94Å; F239-I295 HydrophobicContact CZ-CD1 3.69Å; F239-I295 HydrophobicContact CZ-CG1 4.36Å; F239-I295 HydrophobicContact CZ-CG2 4.29Å; A268-I295 HydrophobicContact CB-CG2 4.4Å; L272-I295 HydrophobicContact CD1-CG1 4.38Å; L272-I295 HydrophobicContact CD1-CG2 4.03Å; Q277-I295 CarbonylContact C-O 3.58Å; Q277-I295 VanDerWaalsContact CA-O 3.3Å; Q277-I295 WeakPolarHBondContact CA-O 3.42Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 3.24Å; T278-I295 PolarHBondContact O-N 2.95Å; L280-I295 HydrophobicContact CD1-CB 4.22Å; L280-I295 HydrophobicContact CD1-CG2 3.46Å; L280-I295 VanDerWaalsContact CD1-CG2 3.46Å; I295-R299 HydrophobicContact CD1-CG 4.46Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.33Å; I295-F300 HydrophobicContact CD1-CB 4.27Å; I295-L303 HydrophobicContact CD1-CD1 4.28Å
296T98.4Very high97.3Very high58 Ų5850.9 Ų50.936%0.35628%0.28SS..EExtended strand (participates in β ladder)trans-91.4153.8172.665.50000110Q277 A298 R299 F300Q277-T296 HydrophobicContact CB-CG2 4.29Å; T296-A298 PolarHBondContact O-N 3.41Å; T296-R299 PolarHBondContact O-N 2.86Å; T296-R299 VanDerWaalsContact O-N 3.11Å; T296-R299 WeakPolarHBondContact OG1-CB 3.39Å; T296-R299 PolarHBondContact OG1-N 2.68Å; T296-F300 PolarHBondContact O-N 2.86Å
297R98.4Very high97.4Very high59 Ų5952 Ų5222%0.22329%0.285CS..Hα-helixtrans-56.1-42.7172.7-174.8-172.4-63.1168.2-2.1110.7L272 S274 S275 A276 R299 F300 E301L272-R297 HydrophobicContact CD2-CB 4.17Å; L272-R297 PolarHBondContact O-NE 3.39Å; L272-R297 PolarHBondContact O-NH2 2.89Å; S274-R297 PolarHBondContact O-NH2 2.88Å; S274-R297 VanDerWaalsContact O-NH2 3.14Å; S275-R297 VanDerWaalsContact N-NH2 3.13Å; S275-R297 PolarHBondContact O-NE 3.39Å; S275-R297 PolarHBondContact O-NH2 3.19Å; A276-R297 WeakPolarHBondContact O-CB 3.27Å; A276-R297 PolarHBondContact O-N 2.78Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.39Å; R297-F300 WeakPolarHBondContact O-CB 3.49Å; R297-F300 PolarHBondContact O-N 3.1Å; R297-E301 WeakPolarHBondContact CD-OE1 3.24Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.31Å; R297-E301 WeakPolarHBondContact O-CB 3.47Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.34Å; R297-E301 PolarHBondContact O-N 3.01Å
298A98.2Very high97.7Very high69 Ų6946.4 Ų46.457%0.5726%0.255SS*.Hα-helixtrans-57.4-41.817700000112.4T296 E301 E302T296-A298 PolarHBondContact O-N 3.41Å; A298-E301 PolarHBondContact O-N 3.18Å; A298-E302 WeakPolarHBondContact O-CB 3.24Å; A298-E302 PolarHBondContact O-N 3.48Å
299R98.4Very high97.9Very high85 Ų8551 Ų5132%0.32126%0.255SS..Hα-helixtrans-68.5-43.1176.7-178.358-179.8170.95.2112H238 I295 T296 R297 E301 E302 L303H238-R299 PolarHBondContact CE1-NH2 3.3Å; I295-R299 HydrophobicContact CD1-CG 4.46Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.33Å; T296-R299 PolarHBondContact O-N 2.86Å; T296-R299 VanDerWaalsContact O-N 3.11Å; T296-R299 WeakPolarHBondContact OG1-CB 3.39Å; T296-R299 PolarHBondContact OG1-N 2.68Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.39Å; R299-E301 VanDerWaalsContact C-N 3.3Å; R299-E301 PolarHBondContact O-N 3.22Å; R299-E302 WeakPolarHBondContact CD-OE2 3.32Å; R299-E302 IonicContact CZ-OE2 3.07Å; R299-E302 IonicContact NH1-OE1 3.4Å; R299-E302 PolarHBondContact NH1-OE1 3.44Å; R299-E302 VanDerWaalsContact NH1-OE1 3.09Å; R299-E302 IonicContact NH1-OE2 3.31Å; R299-E302 PolarHBondContact NH1-OE2 3.32Å; R299-E302 WeakPolarHBondContact O-CB 3.46Å; R299-E302 PolarHBondContact O-N 3.02Å; R299-L303 HydrophobicContact CG-CD1 4.48Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.21Å; R299-L303 PolarHBondContact O-N 3.1Å
300F98.5Very high97.8Very high3 Ų350.4 Ų50.41%0.01326%0.258CS..Hα-helixtrans-58.5-42.7173.5166-105.5000112.1F231 M235 K269 L272 I295 T296 R297 E302 L303 N304 F308 I341F231-F300 HydrophobicContact CB-CE2 4.17Å; F231-F300 HydrophobicContact CB-CZ 4.26Å; M235-F300 HydrophobicContact CG-CD2 3.93Å; M235-F300 HydrophobicContact CG-CE2 4.23Å; M235-F300 HydrophobicContact SD-CD2 3.51Å; M235-F300 VanDerWaalsContact SD-CD2 3.51Å; M235-F300 HydrophobicContact SD-CE2 3.67Å; K269-F300 HydrophobicContact CB-CE2 4.48Å; K269-F300 HydrophobicContact CD-CE2 4.4Å; K269-F300 HydrophobicContact CD-CZ 4.28Å; K269-F300 HydrophobicContact CG-CE2 3.94Å; K269-F300 HydrophobicContact CG-CZ 3.77Å; L272-F300 HydrophobicContact CD1-CB 3.54Å; L272-F300 HydrophobicContact CD1-CD1 4.38Å; L272-F300 HydrophobicContact CD1-CG 3.9Å; I295-F300 HydrophobicContact CD1-CB 4.27Å; T296-F300 PolarHBondContact O-N 2.86Å; R297-F300 WeakPolarHBondContact O-CB 3.49Å; R297-F300 PolarHBondContact O-N 3.1Å; F300-E302 VanDerWaalsContact C-N 3.34Å; F300-L303 PolarHBondContact O-N 3.14Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.33Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.3Å; F300-N304 PolarHBondContact O-N 2.85Å; F300-N304 PolarHBondContact O-ND2 3.38Å; F300-F308 HydrophobicContact CE1-CE2 4.33Å; F300-F308 AromaticContact CE1-CZ 3.74Å; F300-F308 HydrophobicContact CE1-CZ 3.74Å; F300-F308 AromaticContact CZ-CZ 3.9Å; F300-F308 HydrophobicContact CZ-CZ 3.9Å; F300-I341 HydrophobicContact CE1-CD1 4.35Å; F300-I341 HydrophobicContact CE1-CG2 4.07Å; F300-I341 HydrophobicContact CZ-CD1 4.14Å
301E98.3Very high97.8Very high45 Ų4547.5 Ų47.521%0.2124%0.243CC..Hα-helixtrans-65-37.8177.3-71.5178.2-167.800112.5R297 A298 R299 N304 A305 F308 K343R297-E301 WeakPolarHBondContact CD-OE1 3.24Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.31Å; R297-E301 WeakPolarHBondContact O-CB 3.47Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.34Å; R297-E301 PolarHBondContact O-N 3.01Å; A298-E301 PolarHBondContact O-N 3.18Å; R299-E301 VanDerWaalsContact C-N 3.3Å; R299-E301 PolarHBondContact O-N 3.22Å; E301-N304 CarbonylContact O-C 3.48Å; E301-N304 PolarHBondContact O-N 2.87Å; E301-A305 WeakPolarHBondContact O-CA 3.2Å; E301-A305 WeakPolarHBondContact O-CB 3.44Å; E301-A305 PolarHBondContact O-N 3.25Å; E301-F308 HydrophobicContact CB-CE2 4.43Å; E301-F308 HydrophobicContact CG-CE2 4.29Å; E301-K343 HydrophobicContact CB-CG 4.44Å; E301-K343 HydrophobicContact CG-CB 3.73Å; E301-K343 HydrophobicContact CG-CG 4.01Å
302E98.2Very high97.8Very high121 Ų12148.8 Ų48.857%0.56525%0.25SC*.Hα-helixtrans-63.7-44.3174.6-170-166166.100111.8A298 R299 F300 N304 A305A298-E302 WeakPolarHBondContact O-CB 3.24Å; A298-E302 PolarHBondContact O-N 3.48Å; R299-E302 WeakPolarHBondContact CD-OE2 3.32Å; R299-E302 IonicContact CZ-OE2 3.07Å; R299-E302 IonicContact NH1-OE1 3.4Å; R299-E302 PolarHBondContact NH1-OE1 3.44Å; R299-E302 VanDerWaalsContact NH1-OE1 3.09Å; R299-E302 IonicContact NH1-OE2 3.31Å; R299-E302 PolarHBondContact NH1-OE2 3.32Å; R299-E302 WeakPolarHBondContact O-CB 3.46Å; R299-E302 PolarHBondContact O-N 3.02Å; F300-E302 VanDerWaalsContact C-N 3.34Å; E302-N304 PolarHBondContact O-N 3.02Å; E302-A305 WeakPolarHBondContact O-CB 3.31Å; E302-A305 PolarHBondContact O-N 2.83Å
303L98.2Very high97.8Very high31 Ų3148.8 Ų48.816%0.16226%0.257CS..Hα-helixtrans-62.6-25.9179.7-70171.7000113.5R234 H238 I295 R299 F300R234-L303 PolarHBondContact NH1-O 3.11Å; H238-L303 HydrophobicContact CB-CD1 3.98Å; H238-L303 HydrophobicContact CB-CD2 4.12Å; I295-L303 HydrophobicContact CD1-CD1 4.28Å; R299-L303 HydrophobicContact CG-CD1 4.48Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.21Å; R299-L303 PolarHBondContact O-N 3.1Å; F300-L303 PolarHBondContact O-N 3.14Å
304N98.4Very high97.6Very high0 Ų048.6 Ų48.60%026%0.256CS..THydrogen-bonded Turntrans-11511.9-175.9-66.7-71.5000112.9F231 R234 F300 E301 E302 D306 L307 F308F231-N304 WeakPolarHBondContact CA-OD1 3.47Å; F231-N304 HydrophobicContact CD1-CB 4.28Å; R234-N304 WeakPolarHBondContact CB-OD1 3.1Å; R234-N304 VanDerWaalsContact CG-OD1 3.24Å; R234-N304 WeakPolarHBondContact CG-OD1 3.25Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.33Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.3Å; F300-N304 PolarHBondContact O-N 2.85Å; F300-N304 PolarHBondContact O-ND2 3.38Å; E301-N304 CarbonylContact O-C 3.48Å; E301-N304 PolarHBondContact O-N 2.87Å; E302-N304 PolarHBondContact O-N 3.02Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.49Å; N304-L307 PolarHBondContact O-N 3.4Å; N304-L307 VanDerWaalsContact O-N 3.13Å; N304-F308 HydrophobicContact CB-CD1 4.36Å; N304-F308 HydrophobicContact CB-CD2 4.11Å; N304-F308 HydrophobicContact CB-CE1 3.94Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.43Å; N304-F308 HydrophobicContact CB-CZ 3.59Å; N304-F308 WeakPolarHBondContact O-CG 3.46Å; N304-F308 PolarHBondContact O-N 3.37Å
305A98Very high97.6Very high23 Ų2344.8 Ų44.819%0.1923%0.233CC..Hα-helixtrans-62.5-31.8-169.600000113.2E301 E302 R309E301-A305 WeakPolarHBondContact O-CA 3.2Å; E301-A305 WeakPolarHBondContact O-CB 3.44Å; E301-A305 PolarHBondContact O-N 3.25Å; E302-A305 WeakPolarHBondContact O-CB 3.31Å; E302-A305 PolarHBondContact O-N 2.83Å; A305-R309 VanDerWaalsContact C-NH1 3.3Å; A305-R309 VanDerWaalsContact O-CG 3.28Å; A305-R309 WeakPolarHBondContact O-CG 3.18Å; A305-R309 PolarHBondContact O-N 3.43Å; A305-R309 PolarHBondContact O-NH1 3.32Å
306D97.4Very high97.6Very high81 Ų8148.7 Ų48.743%0.43325%0.251SS..Hα-helixtrans-71.3-47174.360.7-50000111.6R234 N304 F308 R309 G310R234-D306 IonicContact CZ-OD1 3.5Å; R234-D306 IonicContact CZ-OD2 2.66Å; R234-D306 IonicContact NH1-OD1 3.95Å; R234-D306 PolarHBondContact NH1-OD1 2.67Å; R234-D306 IonicContact NH1-OD2 3.02Å; R234-D306 PolarHBondContact NH1-OD2 2.92Å; R234-D306 IonicContact NH2-OD1 2.68Å; R234-D306 IonicContact NH2-OD2 3.41Å; R234-D306 PolarHBondContact NH2-OD2 2.82Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.49Å; D306-F308 VanDerWaalsContact C-N 3.34Å; D306-F308 PolarHBondContact O-N 3.21Å; D306-R309 PolarHBondContact O-N 3.48Å; D306-R309 VanDerWaalsContact O-N 3.16Å; D306-G310 PolarHBondContact O-N 2.81Å
307L97.2Very high97.4Very high33 Ų3348.7 Ų48.717%0.17325%0.246CC..Hα-helixtrans-61.6-41.9178.3-60.8-179.3000111.8L226 D230 F231 R234 N304 R309 G310 T311L226-L307 HydrophobicContact CD1-CB 3.94Å; L226-L307 HydrophobicContact CD1-CD2 4.11Å; L226-L307 HydrophobicContact CD1-CG 4.45Å; D230-L307 HydrophobicContact CB-CD1 4.2Å; F231-L307 HydrophobicContact CD1-CB 4.35Å; F231-L307 HydrophobicContact CD1-CD1 3.84Å; F231-L307 HydrophobicContact CE1-CB 3.81Å; F231-L307 HydrophobicContact CE1-CD1 4.04Å; R234-L307 HydrophobicContact CG-CD1 4.06Å; N304-L307 PolarHBondContact O-N 3.4Å; N304-L307 VanDerWaalsContact O-N 3.13Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.06Å; L307-G310 PolarHBondContact O-N 2.81Å; L307-T311 PolarHBondContact O-N 3.16Å
308F98.1Very high97.2Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-66.7-32.1176.1-63.4-24.8000113.6F231 F300 E301 N304 D306 T311 I341 K343 V344 L347F231-F308 AromaticContact CD1-CE1 3.9Å; F231-F308 HydrophobicContact CD1-CE1 3.9Å; F231-F308 HydrophobicContact CD2-CE1 4.29Å; F231-F308 AromaticContact CE1-CD1 3.84Å; F231-F308 HydrophobicContact CE1-CD1 3.84Å; F231-F308 AromaticContact CE1-CE1 3.57Å; F231-F308 HydrophobicContact CE1-CE1 3.57Å; F231-F308 AromaticContact CE2-CE1 3.99Å; F231-F308 HydrophobicContact CE2-CE1 3.99Å; F231-F308 HydrophobicContact CG-CE1 4.26Å; F231-F308 AromaticContact CZ-CD1 3.94Å; F231-F308 HydrophobicContact CZ-CD1 3.94Å; F231-F308 AromaticContact CZ-CE1 3.64Å; F231-F308 HydrophobicContact CZ-CE1 3.64Å; F300-F308 HydrophobicContact CE1-CE2 4.33Å; F300-F308 AromaticContact CE1-CZ 3.74Å; F300-F308 HydrophobicContact CE1-CZ 3.74Å; F300-F308 AromaticContact CZ-CZ 3.9Å; F300-F308 HydrophobicContact CZ-CZ 3.9Å; E301-F308 HydrophobicContact CB-CE2 4.43Å; E301-F308 HydrophobicContact CG-CE2 4.29Å; N304-F308 HydrophobicContact CB-CD1 4.36Å; N304-F308 HydrophobicContact CB-CD2 4.11Å; N304-F308 HydrophobicContact CB-CE1 3.94Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.43Å; N304-F308 HydrophobicContact CB-CZ 3.59Å; N304-F308 WeakPolarHBondContact O-CG 3.46Å; N304-F308 PolarHBondContact O-N 3.37Å; D306-F308 VanDerWaalsContact C-N 3.34Å; D306-F308 PolarHBondContact O-N 3.21Å; F308-T311 PolarHBondContact O-OG1 2.86Å; F308-I341 HydrophobicContact CE1-CD1 4.2Å; F308-I341 HydrophobicContact CE1-CG2 4.33Å; F308-I341 HydrophobicContact CE2-CG2 4.38Å; F308-I341 HydrophobicContact CZ-CD1 4.35Å; F308-I341 HydrophobicContact CZ-CG2 3.87Å; F308-K343 HydrophobicContact CD2-CB 4.03Å; F308-K343 HydrophobicContact CD2-CG 3.54Å; F308-K343 HydrophobicContact CE2-CB 3.99Å; F308-K343 HydrophobicContact CE2-CG 3.96Å; F308-K343 HydrophobicContact CG-CG 4.36Å; F308-V344 HydrophobicContact CD1-CG2 3.81Å; F308-V344 HydrophobicContact CE1-CG2 3.99Å; F308-V344 HydrophobicContact CG-CG2 4.44Å; F308-L347 HydrophobicContact CB-CD1 3.71Å; F308-L347 WeakPolarHBondContact O-CD1 3.35Å
309R97Very high97.2Very high153 Ų15343.1 Ų43.158%0.57721%0.211SC*.Hα-helixtrans-72.8-37.3173-73.6179.8-164.2103.6-8.2110.9A305 D306 L307 T311 L312A305-R309 VanDerWaalsContact C-NH1 3.3Å; A305-R309 VanDerWaalsContact O-CG 3.28Å; A305-R309 WeakPolarHBondContact O-CG 3.18Å; A305-R309 PolarHBondContact O-N 3.43Å; A305-R309 PolarHBondContact O-NH1 3.32Å; D306-R309 PolarHBondContact O-N 3.48Å; D306-R309 VanDerWaalsContact O-N 3.16Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.06Å; R309-T311 PolarHBondContact O-N 3.21Å; R309-T311 VanDerWaalsContact O-N 3.13Å; R309-L312 WeakPolarHBondContact O-CB 3.39Å; R309-L312 PolarHBondContact O-N 3Å
310G95.7Very high97.2Very high25 Ų2547.4 Ų47.426%0.25823%0.227SC..Hα-helixtrans-57.6-23.9177.100000113.9D306 L307 L312 D313 P314D306-G310 PolarHBondContact O-N 2.81Å; L307-G310 PolarHBondContact O-N 2.81Å; G310-L312 PolarHBondContact O-N 2.97Å; G310-D313 PolarHBondContact O-N 3.11Å; G310-P314 WeakPolarHBondContact O-CD 3.49Å
311T97.2Very high97Very high1 Ų149.3 Ų49.31%0.00624%0.237CC..THydrogen-bonded Turntrans-67.8-18.6175.267.40000113.6F196 L198 F203 L226 L307 F308 R309 V315F196-T311 HydrophobicContact CZ-CG2 4.41Å; L198-T311 HydrophobicContact CD1-CG2 4.4Å; F203-T311 HydrophobicContact CD1-CG2 4.46Å; F203-T311 VanDerWaalsContact CE1-CA 3.49Å; F203-T311 HydrophobicContact CE1-CG2 4.27Å; F203-T311 VanDerWaalsContact CE1-O 3.22Å; F203-T311 WeakPolarHBondContact CE1-O 3.43Å; F203-T311 HydrophobicContact CZ-CG2 4.38Å; F203-T311 VanDerWaalsContact CZ-O 3.25Å; F203-T311 WeakPolarHBondContact CZ-O 3.44Å; L226-T311 HydrophobicContact CD2-CG2 3.79Å; L307-T311 PolarHBondContact O-N 3.16Å; F308-T311 PolarHBondContact O-OG1 2.86Å; R309-T311 PolarHBondContact O-N 3.21Å; R309-T311 VanDerWaalsContact O-N 3.13Å; T311-V315 WeakPolarHBondContact O-CG2 3.46Å
312L97.8Very high96.9Very high28 Ų2847.9 Ų47.915%0.14723%0.234CC..Hα-helixtrans-79.9-25.4179.3-63.4179.6000112.7R309 G310 V315 E316 F351R309-L312 WeakPolarHBondContact O-CB 3.39Å; R309-L312 PolarHBondContact O-N 3Å; G310-L312 PolarHBondContact O-N 2.97Å; L312-V315 WeakPolarHBondContact O-CB 3.24Å; L312-V315 PolarHBondContact O-N 3.31Å; L312-V315 VanDerWaalsContact O-N 3.13Å; L312-E316 PolarHBondContact O-N 2.96Å; L312-F351 HydrophobicContact CD1-CD2 4.34Å; L312-F351 HydrophobicContact CD2-CB 3.95Å; L312-F351 HydrophobicContact CD2-CD2 4.12Å; L312-F351 HydrophobicContact CD2-CG 4.08Å
313D95.8Very high96.9Very high108 Ų10851 Ų5158%0.57825%0.245SC*.Hα-helixtrans-63.3-45.5-178.7-62.3-19.3000111.7G310 V315 E316 K317G310-D313 PolarHBondContact O-N 3.11Å; D313-V315 VanDerWaalsContact C-N 3.33Å; D313-V315 PolarHBondContact O-N 3.33Å; D313-E316 PolarHBondContact O-N 2.98Å; D313-K317 WeakPolarHBondContact O-CB 3.44Å; D313-K317 PolarHBondContact O-N 2.89Å
314P94Very high96.9Very high14 Ų1450.8 Ų50.89%0.09124%0.244CC..Hα-helixtrans-62.8-34.3171.5-28.140.1000113.8F203 V205 A221 G310 K317 A318F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.94Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.57Å; F203-P314 HydrophobicContact CZ-CB 4.49Å; V205-P314 HydrophobicContact CG2-CB 4.06Å; A221-P314 HydrophobicContact CB-CB 3.89Å; A221-P314 VanDerWaalsContact CB-O 3.24Å; A221-P314 WeakPolarHBondContact CB-O 3.5Å; G310-P314 WeakPolarHBondContact O-CD 3.49Å; P314-K317 PolarHBondContact O-N 3.38Å; P314-A318 WeakPolarHBondContact O-CB 3.4Å; P314-A318 PolarHBondContact O-N 3.31Å
315V97.9Very high96.8Very high0 Ų056.3 Ų56.30%027%0.273CS..Hα-helixtrans-63.7-47.8176.4176.30000111.1L194 F196 V205 T311 L312 D313 K317 A318 L319 L348 F351 F352L194-V315 HydrophobicContact CD1-CG1 4.02Å; F196-V315 HydrophobicContact CD2-CG2 3.89Å; F196-V315 HydrophobicContact CE2-CG2 3.79Å; V205-V315 HydrophobicContact CG1-CG2 4.21Å; V205-V315 HydrophobicContact CG2-CG2 3.85Å; T311-V315 WeakPolarHBondContact O-CG2 3.46Å; L312-V315 WeakPolarHBondContact O-CB 3.24Å; L312-V315 PolarHBondContact O-N 3.31Å; L312-V315 VanDerWaalsContact O-N 3.13Å; D313-V315 VanDerWaalsContact C-N 3.33Å; D313-V315 PolarHBondContact O-N 3.33Å; V315-K317 VanDerWaalsContact C-N 3.33Å; V315-K317 PolarHBondContact O-N 3.26Å; V315-A318 PolarHBondContact O-N 2.84Å; V315-L319 HydrophobicContact CG1-CD1 4.26Å; V315-L319 WeakPolarHBondContact O-CG 3.39Å; V315-L319 PolarHBondContact O-N 2.95Å; V315-L319 VanDerWaalsContact O-N 3.09Å; V315-L348 HydrophobicContact CG2-CD1 4.25Å; V315-F351 HydrophobicContact CG1-CD1 4.02Å; V315-F351 HydrophobicContact CG1-CE1 3.54Å; V315-F351 HydrophobicContact CG1-CZ 4.05Å; V315-F352 HydrophobicContact CG1-CE2 3.82Å; V315-F352 HydrophobicContact CG1-CZ 4.03Å
316E97.7Very high96.7Very high85 Ų8558.3 Ų58.340%0.39728%0.278SS..Hα-helixtrans-61.8-41.9175.4-74.1-174.4-171.100112.2L312 D313 R320 F351L312-E316 PolarHBondContact O-N 2.96Å; D313-E316 PolarHBondContact O-N 2.98Å; E316-R320 WeakPolarHBondContact O-CB 3.45Å; E316-R320 PolarHBondContact O-N 3.07Å; E316-F351 HydrophobicContact CG-CE2 3.44Å; E316-F351 VanDerWaalsContact CG-CE2 3.44Å; E316-F351 HydrophobicContact CG-CZ 3.49Å; E316-F351 VanDerWaalsContact CG-CZ 3.49Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.31Å
317K94.4Very high96.7Very high59 Ų5959.4 Ų59.426%0.25729%0.291SS..Hα-helixtrans-62.2-47.1178-177.2-179.5173.4-1680111.1Y147 A221 D313 P314 V315 R320 D321 R414Y147-K317 PolarHBondContact OH-NZ 3.41Å; A221-K317 HydrophobicContact CB-CB 4.2Å; A221-K317 HydrophobicContact CB-CD 4.08Å; A221-K317 HydrophobicContact CB-CG 4.21Å; D313-K317 WeakPolarHBondContact O-CB 3.44Å; D313-K317 PolarHBondContact O-N 2.89Å; P314-K317 PolarHBondContact O-N 3.38Å; V315-K317 VanDerWaalsContact C-N 3.33Å; V315-K317 PolarHBondContact O-N 3.26Å; K317-R320 PolarHBondContact O-N 3.34Å; K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 3.08Å; K317-R414 VanDerWaalsContact CG-NH2 3.33Å
318A95.4Very high96.7Very high0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-60.6-47.4178.400000111.6V205 I207 S219 A221 P314 V315 R320 D321 A322V205-A318 HydrophobicContact CG1-CB 3.94Å; I207-A318 VanDerWaalsContact CD1-C 3.48Å; I207-A318 HydrophobicContact CD1-CB 3.99Å; I207-A318 HydrophobicContact CG1-CB 4.2Å; S219-A318 WeakPolarHBondContact CB-O 3.46Å; S219-A318 PolarHBondContact OG-O 3.38Å; A221-A318 HydrophobicContact CB-CB 4.08Å; P314-A318 WeakPolarHBondContact O-CB 3.4Å; P314-A318 PolarHBondContact O-N 3.31Å; V315-A318 PolarHBondContact O-N 2.84Å; A318-R320 PolarHBondContact O-N 3.12Å; A318-D321 PolarHBondContact O-N 3.12Å; A318-A322 WeakPolarHBondContact O-CB 3.29Å; A318-A322 PolarHBondContact O-N 3.19Å
319L98.3Very high96.6Very high10 Ų1061.6 Ų61.65%0.05230%0.301CS..Hα-helixtrans-58.3-46.2177-77.7166.8000112.3I207 V315 D321 A322 K323 M324 K326 I329 F351 F352I207-L319 HydrophobicContact CD1-CB 4.34Å; I207-L319 HydrophobicContact CD1-CD2 3.76Å; I207-L319 HydrophobicContact CD1-CG 3.95Å; V315-L319 HydrophobicContact CG1-CD1 4.26Å; V315-L319 WeakPolarHBondContact O-CG 3.39Å; V315-L319 PolarHBondContact O-N 2.95Å; V315-L319 VanDerWaalsContact O-N 3.09Å; L319-D321 VanDerWaalsContact C-N 3.35Å; L319-D321 PolarHBondContact O-N 2.66Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-K323 PolarHBondContact O-N 3.49Å; L319-M324 HydrophobicContact CD2-CB 4.48Å; L319-M324 PolarHBondContact O-N 2.86Å; L319-K326 HydrophobicContact CD1-CG 3.89Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG1 3.66Å; L319-F351 HydrophobicContact CD1-CE1 3.67Å; L319-F351 HydrophobicContact CD1-CZ 4.01Å; L319-F352 HydrophobicContact CD1-CE1 4.34Å; L319-F352 HydrophobicContact CD1-CZ 4.07Å
320R97.3Very high96.6Very high176 Ų17658.4 Ų58.466%0.66429%0.292SS*.Hα-helixtrans-61.5-42.9179.6-168.6-172.6-52158.67.3111.9E316 K317 A318 K323E316-R320 WeakPolarHBondContact O-CB 3.45Å; E316-R320 PolarHBondContact O-N 3.07Å; K317-R320 PolarHBondContact O-N 3.34Å; A318-R320 PolarHBondContact O-N 3.12Å; R320-K323 PolarHBondContact O-N 2.81Å
321D94.4Very high96.6Very high42 Ų4258.5 Ų58.523%0.22529%0.287CS..Hα-helixtrans-70.4-39.3179-66.2-12.2000113K317 A318 L319 K323 R414 N415K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 3.08Å; A318-D321 PolarHBondContact O-N 3.12Å; L319-D321 VanDerWaalsContact C-N 3.35Å; L319-D321 PolarHBondContact O-N 2.66Å; D321-K323 PolarHBondContact O-N 3.49Å; D321-R414 IonicContact OD1-CZ 2.69Å; D321-R414 VanDerWaalsContact OD1-CZ 3.32Å; D321-R414 IonicContact OD1-NE 3.9Å; D321-R414 IonicContact OD1-NH2 3.4Å; D321-R414 PolarHBondContact OD1-NH2 3.34Å; D321-R414 IonicContact OD2-CZ 2.96Å; D321-R414 IonicContact OD2-NE 3.06Å; D321-R414 PolarHBondContact OD2-NE 3.25Å; D321-R414 IonicContact OD2-NH2 3.31Å; D321-R414 PolarHBondContact OD2-NH2 3.14Å; D321-N415 VanDerWaalsContact CB-ND2 3.29Å; D321-N415 WeakPolarHBondContact CB-ND2 3.23Å; D321-N415 VanDerWaalsContact CG-ND2 3.32Å; D321-N415 PolarHBondContact OD2-ND2 2.9Å
322A97Very high96.7Very high16 Ų1658.4 Ų58.413%0.13229%0.287CS..Hα-helixtrans-66.8-12.2174.500000111.7I207 K218 A318 L319 M324I207-A322 HydrophobicContact CB-CB 4.28Å; I207-A322 HydrophobicContact CD1-CB 3.91Å; I207-A322 HydrophobicContact CG2-CB 4.14Å; K218-A322 HydrophobicContact CB-CB 4.04Å; A318-A322 WeakPolarHBondContact O-CB 3.29Å; A318-A322 PolarHBondContact O-N 3.19Å; L319-A322 PolarHBondContact O-N 3.23Å; A322-M324 HydrophobicContact CB-CB 4.29Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.22Å; A322-M324 PolarHBondContact O-N 3.34Å
323K97.3Very high96.6Very high187 Ų18757.1 Ų57.181%0.81328%0.28SS*.THydrogen-bonded Turntrans55.341.2-173.1-55174.3-176.3171.90111.1L319 R320 D321L319-K323 PolarHBondContact O-N 3.49Å; R320-K323 PolarHBondContact O-N 2.81Å; D321-K323 PolarHBondContact O-N 3.49Å
324M97.8Very high96.8Very high26 Ų2652.3 Ų52.313%0.12825%0.254CS..  trans-117.9136.6-179.2-70.3-178.1-176.300110.6N192 I207 K218 L319 A322 Q328 I329N192-M324 HydrophobicContact CB-CE 4.36Å; N192-M324 HydrophobicContact CB-SD 4.01Å; N192-M324 VanDerWaalsContact OD1-CE 3.3Å; N192-M324 WeakPolarHBondContact OD1-CE 3.46Å; I207-M324 HydrophobicContact CG2-SD 3.8Å; K218-M324 HydrophobicContact CG-CE 4.11Å; L319-M324 HydrophobicContact CD2-CB 4.48Å; L319-M324 PolarHBondContact O-N 2.86Å; A322-M324 HydrophobicContact CB-CB 4.29Å; A322-M324 HydrophobicContact CB-CG 4.07Å; A322-M324 HydrophobicContact CB-SD 4.22Å; A322-M324 PolarHBondContact O-N 3.34Å; M324-Q328 HydrophobicContact CB-CB 4.43Å; M324-I329 HydrophobicContact SD-CD1 4.16Å
325D96.6Very high96.9Very high115 Ų11551.7 Ų51.762%0.61525%0.25SS*.  trans-76.4156.2165.4-79-59.2000111.1S327 Q328D325-S327 PolarHBondContact O-N 3.16Å; D325-S327 VanDerWaalsContact O-N 3.08Å; D325-Q328 HydrophobicContact CB-CG 4.5Å; D325-Q328 WeakPolarHBondContact O-CB 3.39Å; D325-Q328 PolarHBondContact O-N 3.19Å
326K96.5Very high96.8Very high66 Ų6652.2 Ų52.229%0.28726%0.255SS..G310 helixtrans-55.8-30.1178.4-54.8-169.3-163.4-167.50113.1L319 Q328 I329 F351 F352L319-K326 HydrophobicContact CD1-CG 3.89Å; K326-Q328 VanDerWaalsContact C-N 3.28Å; K326-Q328 PolarHBondContact O-N 2.99Å; K326-I329 PolarHBondContact O-N 2.79Å; K326-F351 HydrophobicContact CD-CD1 3.89Å; K326-F351 HydrophobicContact CD-CE1 3.58Å; K326-F351 HydrophobicContact CD-CZ 4.07Å; K326-F351 WeakPolarHBondContact CD-O 3.04Å; K326-F351 HydrophobicContact CG-CE1 4.15Å; K326-F351 VanDerWaalsContact NZ-CE1 3.35Å; K326-F351 PolarHBondContact NZ-O 3.37Å; K326-F352 HydrophobicContact CB-CD1 3.81Å; K326-F352 HydrophobicContact CB-CE1 3.92Å; K326-F352 HydrophobicContact CD-CD1 4.48Å; K326-F352 HydrophobicContact CG-CD1 4.37Å; K326-F352 HydrophobicContact CG-CE1 4.25Å
327S96.5Very high96.7Very high103 Ų10349.4 Ų49.472%0.7225%0.249SC*.G310 helixtrans-70.4-22.6178.452.80000113.4D325D325-S327 PolarHBondContact O-N 3.16Å; D325-S327 VanDerWaalsContact O-N 3.08Å
328Q97.4Very high96.9Very high79 Ų7947.1 Ų47.137%0.36924%0.241SC..G310 helixtrans-82.8-17179.2-63.3178.6-93.300112.7N192 M324 D325 K326 H330N192-Q328 WeakPolarHBondContact CB-O 3.38Å; N192-Q328 PolarHBondContact ND2-O 2.79Å; M324-Q328 HydrophobicContact CB-CB 4.43Å; D325-Q328 HydrophobicContact CB-CG 4.5Å; D325-Q328 WeakPolarHBondContact O-CB 3.39Å; D325-Q328 PolarHBondContact O-N 3.19Å; K326-Q328 VanDerWaalsContact C-N 3.28Å; K326-Q328 PolarHBondContact O-N 2.99Å; Q328-H330 PolarHBondContact O-CE1 3.47Å; Q328-H330 PolarHBondContact O-N 3.21Å; Q328-H330 PolarHBondContact O-ND1 3.31Å
329I97.9Very high97Very high0 Ų047.2 Ų47.20%024%0.241CC..  trans-73.3121.9171.8-56.2-53.7000108N192 L194 I207 L319 M324 K326 D331 I332 F352 K355N192-I329 HydrophobicContact CB-CD1 4.36Å; L194-I329 HydrophobicContact CB-CG2 3.86Å; I207-I329 HydrophobicContact CD1-CD1 4.19Å; I207-I329 HydrophobicContact CG1-CD1 4.42Å; I207-I329 HydrophobicContact CG2-CD1 3.95Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG1 3.66Å; M324-I329 HydrophobicContact SD-CD1 4.16Å; K326-I329 PolarHBondContact O-N 2.79Å; I329-D331 VanDerWaalsContact CG2-O 3.31Å; I329-D331 WeakPolarHBondContact CG2-O 3.43Å; I329-I332 HydrophobicContact CG2-CG1 4.12Å; I329-F352 HydrophobicContact CB-CE1 4.08Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.38Å; I329-K355 WeakPolarHBondContact O-CE 3.47Å; I329-K355 PolarHBondContact O-NZ 3.22Å
330H96Very high97Very high86 Ų8652.2 Ų52.240%0.39826%0.259SS..  trans-82.8-55.8-179.8-61.682.1000109.9N192 Q328 K355N192-H330 PolarHBondContact N-ND1 3.02Å; N192-H330 WeakPolarHBondContact O-CB 3.4Å; N192-H330 PolarHBondContact O-N 3.03Å; N192-H330 PolarHBondContact O-ND1 2.88Å; Q328-H330 PolarHBondContact O-CE1 3.47Å; Q328-H330 PolarHBondContact O-N 3.21Å; Q328-H330 PolarHBondContact O-ND1 3.31Å; H330-K355 PolarHBondContact O-NZ 2.87Å
331D96.2Very high97Very high27 Ų2744 Ų4414%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-120.3144.9-176-73.1-73.4000111.5Y181 R191 V193 L194 I329 N358Y181-D331 HydrophobicContact CE2-CB 4.43Å; Y181-D331 VanDerWaalsContact OH-CG 3.25Å; Y181-D331 PolarHBondContact OH-OD2 2.98Å; R191-D331 IonicContact CZ-OD2 3.38Å; R191-D331 IonicContact NE-OD2 2.74Å; R191-D331 IonicContact NH1-OD2 2.77Å; R191-D331 PolarHBondContact NH1-OD2 3.18Å; V193-D331 WeakPolarHBondContact CA-O 3.37Å; V193-D331 HydrophobicContact CG1-CB 4.2Å; V193-D331 HydrophobicContact CG2-CB 4.34Å; L194-D331 PolarHBondContact N-O 2.94Å; I329-D331 VanDerWaalsContact CG2-O 3.31Å; I329-D331 WeakPolarHBondContact CG2-O 3.43Å; D331-N358 PolarHBondContact OD1-ND2 2.73Å; D331-N358 VanDerWaalsContact OD1-ND2 3.16Å
332I98Very high97.2Very high0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-118.2106.7171.7-60.4163.9000107.2L194 I329 L348 F352 K355 L357 N358L194-I332 HydrophobicContact CD2-CG2 4Å; L194-I332 CarbonylContact O-C 3.55Å; L194-I332 WeakPolarHBondContact O-CA 3.44Å; I329-I332 HydrophobicContact CG2-CG1 4.12Å; I332-L348 HydrophobicContact CG2-CD2 3.6Å; I332-L348 HydrophobicContact CG2-CG 4.17Å; I332-F352 HydrophobicContact CD1-CB 3.77Å; I332-F352 HydrophobicContact CD1-CD1 3.9Å; I332-F352 HydrophobicContact CD1-CD2 3.32Å; I332-F352 HydrophobicContact CD1-CE1 4.35Å; I332-F352 HydrophobicContact CD1-CE2 3.84Å; I332-F352 HydrophobicContact CD1-CG 3.39Å; I332-F352 HydrophobicContact CD1-CZ 4.35Å; I332-F352 HydrophobicContact CG1-CD2 4.33Å; I332-F352 HydrophobicContact CG1-CE2 4.4Å; I332-F352 HydrophobicContact CG1-CG 4.5Å; I332-K355 HydrophobicContact CD1-CB 4.45Å; I332-K355 HydrophobicContact CD1-CD 3.64Å; I332-K355 HydrophobicContact CD1-CG 4.24Å; I332-K355 HydrophobicContact CG1-CD 4.08Å; I332-L357 HydrophobicContact CB-CD2 4.03Å; I332-L357 HydrophobicContact CD1-CD2 4.01Å; I332-L357 HydrophobicContact CG2-CD2 3.79Å; I332-N358 WeakPolarHBondContact O-CA 3.3Å; I332-N358 WeakPolarHBondContact O-CB 3.27Å; I332-N358 PolarHBondContact O-N 2.9Å
333V97.6Very high97.2Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-95.3128.5-176-177.70000109.4Y181 V193 L194 I195 F196 V335 N358 I361Y181-V333 HydrophobicContact CD1-CG2 4.39Å; Y181-V333 HydrophobicContact CD2-CG2 3.49Å; Y181-V333 VanDerWaalsContact CD2-CG2 3.49Å; Y181-V333 HydrophobicContact CE2-CG2 3.91Å; Y181-V333 HydrophobicContact CG-CG2 3.77Å; V193-V333 HydrophobicContact CG1-CG2 3.6Å; L194-V333 PolarHBondContact O-N 3.35Å; I195-V333 HydrophobicContact CD1-CB 3.75Å; I195-V333 HydrophobicContact CD1-CG1 4.25Å; I195-V333 HydrophobicContact CD1-CG2 4.04Å; F196-V333 PolarHBondContact N-O 3.39Å; V333-V335 HydrophobicContact CG1-CG2 4.21Å; V333-N358 HydrophobicContact CG2-CB 4.24Å; V333-I361 HydrophobicContact CG1-CD1 3.41Å; V333-I361 VanDerWaalsContact CG1-CD1 3.41Å; V333-I361 HydrophobicContact CG1-CG1 4.01Å
334L98.1Very high97.3Very high8 Ų837 Ų374%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-91.9128.1177.6-59.8-178.6000110.7F196 T339 Q345 L348 L357 K359F196-L334 HydrophobicContact CB-CD2 4.32Å; F196-L334 HydrophobicContact CD1-CD2 4.34Å; L334-T339 HydrophobicContact CB-CG2 4.24Å; L334-T339 HydrophobicContact CD2-CG2 4.4Å; L334-Q345 HydrophobicContact CD1-CG 3.94Å; L334-L348 HydrophobicContact CD2-CD2 3.86Å; L334-L357 HydrophobicContact CD1-CB 4.15Å; L334-L357 HydrophobicContact CD1-CD1 3.93Å; L334-L357 HydrophobicContact CD2-CD1 4.23Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.46Å; L334-K359 HydrophobicContact CD1-CG 4.44Å
335V97.3Very high97.3Very high1 Ų137.2 Ų37.21%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.4143.1180-175.30000109.1A177 I195 F196 D197 L198 V333 T339 V367A177-V335 HydrophobicContact CB-CB 4.31Å; A177-V335 HydrophobicContact CB-CG1 3.89Å; A177-V335 HydrophobicContact CB-CG2 3.49Å; A177-V335 VanDerWaalsContact CB-CG2 3.49Å; I195-V335 HydrophobicContact CG2-CB 4.48Å; I195-V335 HydrophobicContact CG2-CG2 3.71Å; F196-V335 PolarHBondContact O-N 3.01Å; D197-V335 WeakPolarHBondContact CA-O 3.44Å; D197-V335 HydrophobicContact CB-CB 4Å; D197-V335 HydrophobicContact CB-CG1 4.28Å; L198-V335 PolarHBondContact N-O 3.19Å; V333-V335 HydrophobicContact CG1-CG2 4.21Å; V335-T339 WeakPolarHBondContact O-CG2 3.35Å; V335-V367 HydrophobicContact CG1-CG2 3.66Å
336G96.3Very high97.3Very high10 Ų1037 Ų3710%0.10319%0.192CC..SBendtrans84.3140.2-17800000114L198 S338 T339 P363L198-G336 CarbonylContact O-C 3.56Å; L198-G336 WeakPolarHBondContact O-CA 3.36Å; G336-S338 PolarHBondContact O-N 3.38Å; G336-S338 VanDerWaalsContact O-N 3.12Å; G336-T339 WeakPolarHBondContact O-CB 3.32Å; G336-T339 PolarHBondContact O-N 3.26Å; G336-T339 PolarHBondContact O-OG1 2.98Å; G336-P363 PolarHBondContact N-O 2.78Å
337G95.5Very high97.4Very high27 Ų2735.1 Ų35.128%0.27819%0.185SC..G310 helixtrans-60.8-24.2-172.400000115.6T339 R340 D364G337-T339 PolarHBondContact O-N 3.5Å; G337-R340 VanDerWaalsContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CB 3.27Å; G337-R340 WeakPolarHBondContact O-CG 3.31Å; G337-R340 PolarHBondContact O-N 2.8Å; G337-D364 WeakPolarHBondContact CA-OD1 3.5Å; G337-D364 PolarHBondContact N-OD1 3.09Å; G337-D364 VanDerWaalsContact N-OD1 3.16Å
338S97.7Very high97.5Very high11 Ų1130.3 Ų30.38%0.07715%0.151CC..G310 helixtrans-72.8-16.1178.4-61.10000112.7L198 G199 G228 G336 R340 I341L198-S338 VanDerWaalsContact O-CB 3.27Å; L198-S338 WeakPolarHBondContact O-CB 3.42Å; L198-S338 PolarHBondContact O-N 3.31Å; G199-S338 PolarHBondContact O-OG 3.13Å; G228-S338 VanDerWaalsContact CA-OG 3.3Å; G228-S338 WeakPolarHBondContact CA-OG 3.38Å; G228-S338 PolarHBondContact N-OG 2.87Å; G336-S338 PolarHBondContact O-N 3.38Å; G336-S338 VanDerWaalsContact O-N 3.12Å; S338-R340 PolarHBondContact O-N 3.35Å; S338-I341 WeakPolarHBondContact O-CB 3.3Å; S338-I341 WeakPolarHBondContact O-CG1 3.35Å; S338-I341 PolarHBondContact O-N 3.31Å
339T97.8Very high97.5Very high2 Ų229.5 Ų29.51%0.01215%0.147CC..G310 helixtrans-66.2-15.1170.963.20000113.3F196 L198 L334 V335 G336 G337 I341 Q345F196-T339 HydrophobicContact CD1-CG2 3.87Å; F196-T339 HydrophobicContact CE1-CG2 4.24Å; L198-T339 HydrophobicContact CB-CG2 3.81Å; L334-T339 HydrophobicContact CB-CG2 4.24Å; L334-T339 HydrophobicContact CD2-CG2 4.4Å; V335-T339 WeakPolarHBondContact O-CG2 3.35Å; G336-T339 WeakPolarHBondContact O-CB 3.32Å; G336-T339 PolarHBondContact O-N 3.26Å; G336-T339 PolarHBondContact O-OG1 2.98Å; G337-T339 PolarHBondContact O-N 3.5Å; T339-I341 PolarHBondContact O-N 2.76Å; T339-Q345 VanDerWaalsContact O-CG 3.24Å; T339-Q345 WeakPolarHBondContact O-CG 3.24Å; T339-Q345 PolarHBondContact O-NE2 2.96Å
340R97.3Very high97.5Very high114 Ų11433.9 Ų33.943%0.4317%0.17SC..G310 helixtrans-68.3-15.6174.6-61.9176.8-178.2-82.92.8112.8G337 S338 P342 N362 D364G337-R340 VanDerWaalsContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CB 3.27Å; G337-R340 WeakPolarHBondContact O-CG 3.31Å; G337-R340 PolarHBondContact O-N 2.8Å; S338-R340 PolarHBondContact O-N 3.35Å; R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.46Å; R340-N362 PolarHBondContact NH2-OD1 3.42Å; R340-D364 IonicContact CZ-OD2 3.97Å; R340-D364 IonicContact NE-OD2 3.64Å; R340-D364 PolarHBondContact NE-OD2 3.23Å; R340-D364 IonicContact NH2-OD2 2.96Å; R340-D364 PolarHBondContact NH2-OD2 3.49Å
341I98.2Very high97.6Very high4 Ų430.7 Ų30.72%0.02116%0.155CC..  trans-64.8119.4177.8-64.4169.7000109.5F231 F300 F308 S338 T339 K343 V344 Q345F231-I341 HydrophobicContact CD2-CD1 3.63Å; F231-I341 HydrophobicContact CE2-CD1 3.73Å; F300-I341 HydrophobicContact CE1-CD1 4.35Å; F300-I341 HydrophobicContact CE1-CG2 4.07Å; F300-I341 HydrophobicContact CZ-CD1 4.14Å; F308-I341 HydrophobicContact CE1-CD1 4.2Å; F308-I341 HydrophobicContact CE1-CG2 4.33Å; F308-I341 HydrophobicContact CE2-CG2 4.38Å; F308-I341 HydrophobicContact CZ-CD1 4.35Å; F308-I341 HydrophobicContact CZ-CG2 3.87Å; S338-I341 WeakPolarHBondContact O-CB 3.3Å; S338-I341 WeakPolarHBondContact O-CG1 3.35Å; S338-I341 PolarHBondContact O-N 3.31Å; T339-I341 PolarHBondContact O-N 2.76Å; I341-K343 HydrophobicContact CG2-CB 4.2Å; I341-K343 PolarHBondContact O-N 3.4Å; I341-K343 VanDerWaalsContact O-N 3.14Å; I341-V344 HydrophobicContact CB-CB 4.38Å; I341-V344 HydrophobicContact CB-CG2 4Å; I341-V344 HydrophobicContact CG2-CG2 4.06Å; I341-V344 PolarHBondContact O-N 3.08Å; I341-V344 VanDerWaalsContact O-N 3.1Å; I341-Q345 PolarHBondContact O-N 3.29Å
342P97.7Very high97.7Very high39 Ų3929.8 Ų29.825%0.25315%0.15SC..Hα-helixtrans-57.9-33.7-175.8-29.436.4000114.2S273 R340 Q345 K346S273-P342 VanDerWaalsContact O-CG 3.24Å; S273-P342 WeakPolarHBondContact O-CG 3.4Å; R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.46Å; P342-Q345 PolarHBondContact O-N 3.07Å; P342-K346 WeakPolarHBondContact O-CB 3.37Å; P342-K346 PolarHBondContact O-N 2.78Å
343K98Very high97.7Very high59 Ų5936.5 Ų36.526%0.25719%0.186SC..Hα-helixtrans-66.3-38.4179-172.755174.3179.90113.2E301 F308 I341 K346 L347E301-K343 HydrophobicContact CB-CG 4.44Å; E301-K343 HydrophobicContact CG-CB 3.73Å; E301-K343 HydrophobicContact CG-CG 4.01Å; F308-K343 HydrophobicContact CD2-CB 4.03Å; F308-K343 HydrophobicContact CD2-CG 3.54Å; F308-K343 HydrophobicContact CE2-CB 3.99Å; F308-K343 HydrophobicContact CE2-CG 3.96Å; F308-K343 HydrophobicContact CG-CG 4.36Å; I341-K343 HydrophobicContact CG2-CB 4.2Å; I341-K343 PolarHBondContact O-N 3.4Å; I341-K343 VanDerWaalsContact O-N 3.14Å; K343-K346 PolarHBondContact O-N 3.06Å; K343-L347 HydrophobicContact CD-CD1 4.48Å; K343-L347 HydrophobicContact CD-CG 4.39Å; K343-L347 HydrophobicContact CG-CD1 4.29Å; K343-L347 WeakPolarHBondContact O-CB 3.47Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.63Å
344V98Very high97.6Very high1 Ų139.2 Ų39.21%0.00621%0.214CC..Hα-helixtrans-64-49.3176.1173.30000109.4F196 L198 F308 I341 K346 L347 L348F196-V344 HydrophobicContact CE1-CG1 3.61Å; F196-V344 HydrophobicContact CZ-CG1 3.87Å; L198-V344 HydrophobicContact CD2-CG1 3.92Å; L198-V344 HydrophobicContact CD2-CG2 4Å; F308-V344 HydrophobicContact CD1-CG2 3.81Å; F308-V344 HydrophobicContact CE1-CG2 3.99Å; F308-V344 HydrophobicContact CG-CG2 4.44Å; I341-V344 HydrophobicContact CB-CB 4.38Å; I341-V344 HydrophobicContact CB-CG2 4Å; I341-V344 HydrophobicContact CG2-CG2 4.06Å; I341-V344 PolarHBondContact O-N 3.08Å; I341-V344 VanDerWaalsContact O-N 3.1Å; V344-K346 PolarHBondContact O-N 3.16Å; V344-L347 PolarHBondContact O-N 3.43Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 PolarHBondContact O-N 3.27Å
345Q98.1Very high97.6Very high30 Ų3041.7 Ų41.714%0.1422%0.224CC..Hα-helixtrans-58.5-47.1176.6-67.3-175.827.100111.7L334 T339 I341 P342 L347 L348 Q349 L357L334-Q345 HydrophobicContact CD1-CG 3.94Å; T339-Q345 VanDerWaalsContact O-CG 3.24Å; T339-Q345 WeakPolarHBondContact O-CG 3.24Å; T339-Q345 PolarHBondContact O-NE2 2.96Å; I341-Q345 PolarHBondContact O-N 3.29Å; P342-Q345 PolarHBondContact O-N 3.07Å; Q345-L347 PolarHBondContact O-N 3.06Å; Q345-L348 PolarHBondContact O-N 3.06Å; Q345-Q349 WeakPolarHBondContact O-CG 3.08Å; Q345-Q349 PolarHBondContact O-N 3.33Å; Q345-L357 HydrophobicContact CB-CD1 3.59Å; Q345-L357 HydrophobicContact CG-CD1 3.82Å
346K98Very high97.6Very high111 Ų11149.6 Ų49.648%0.48326%0.261SS..Hα-helixtrans-60-47.5179.2-179172.2-179.5174.10112P342 K343 V344 L348 Q349 D350P342-K346 WeakPolarHBondContact O-CB 3.37Å; P342-K346 PolarHBondContact O-N 2.78Å; K343-K346 PolarHBondContact O-N 3.06Å; V344-K346 PolarHBondContact O-N 3.16Å; K346-L348 VanDerWaalsContact C-N 3.28Å; K346-L348 PolarHBondContact O-N 2.83Å; K346-Q349 PolarHBondContact O-N 2.86Å; K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.48Å; K346-D350 PolarHBondContact O-N 2.93Å
347L98Very high97.7Very high26 Ų2649.4 Ų49.414%0.13626%0.258CS..Hα-helixtrans-60.6-39.9178.4-74.8171000111.9F308 K343 V344 Q345 F351F308-L347 HydrophobicContact CB-CD1 3.71Å; F308-L347 WeakPolarHBondContact O-CD1 3.35Å; K343-L347 HydrophobicContact CD-CD1 4.48Å; K343-L347 HydrophobicContact CD-CG 4.39Å; K343-L347 HydrophobicContact CG-CD1 4.29Å; K343-L347 WeakPolarHBondContact O-CB 3.47Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.63Å; V344-L347 PolarHBondContact O-N 3.43Å; Q345-L347 PolarHBondContact O-N 3.06Å; L347-F351 VanDerWaalsContact O-CB 3.26Å; L347-F351 WeakPolarHBondContact O-CB 3.34Å; L347-F351 PolarHBondContact O-N 3.28Å
348L97.9Very high97.6Very high1 Ų149.2 Ų49.21%0.00525%0.25CS..Hα-helixtrans-68.1-44177.6-168.759.9000111.8F196 V315 I332 L334 V344 Q345 K346 F351 F352 L357F196-L348 HydrophobicContact CB-CD2 4.03Å; F196-L348 HydrophobicContact CD1-CD2 4.21Å; F196-L348 HydrophobicContact CD2-CD1 3.83Å; F196-L348 HydrophobicContact CD2-CD2 3.67Å; F196-L348 HydrophobicContact CD2-CG 4.4Å; F196-L348 HydrophobicContact CE2-CD1 3.97Å; F196-L348 HydrophobicContact CE2-CD2 4.12Å; F196-L348 HydrophobicContact CG-CD2 3.71Å; V315-L348 HydrophobicContact CG2-CD1 4.25Å; I332-L348 HydrophobicContact CG2-CD2 3.6Å; I332-L348 HydrophobicContact CG2-CG 4.17Å; L334-L348 HydrophobicContact CD2-CD2 3.86Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 PolarHBondContact O-N 3.27Å; Q345-L348 PolarHBondContact O-N 3.06Å; K346-L348 VanDerWaalsContact C-N 3.28Å; K346-L348 PolarHBondContact O-N 2.83Å; L348-F351 PolarHBondContact O-N 2.79Å; L348-F352 HydrophobicContact CD1-CD2 3.93Å; L348-F352 HydrophobicContact CD1-CE2 3.76Å; L348-F352 HydrophobicContact CG-CD2 4.36Å; L348-F352 WeakPolarHBondContact O-CD2 3.25Å; L348-F352 PolarHBondContact O-N 2.69Å; L348-L357 HydrophobicContact CB-CD2 4.44Å; L348-L357 HydrophobicContact CD2-CD2 3.99Å; L348-L357 HydrophobicContact CG-CD2 4.06Å
349Q98.1Very high97.4Very high62 Ų6255.2 Ų55.229%0.2928%0.275SS..Hα-helixtrans-61-48.5174.4-71.7-179.1-62.800111.7Q345 K346 F351 F352 N353 G354 L357Q345-Q349 WeakPolarHBondContact O-CG 3.08Å; Q345-Q349 PolarHBondContact O-N 3.33Å; K346-Q349 PolarHBondContact O-N 2.86Å; Q349-F351 VanDerWaalsContact C-N 3.28Å; Q349-F351 PolarHBondContact O-N 2.64Å; Q349-F352 CarbonylContact O-C 3.33Å; Q349-F352 VanDerWaalsContact O-C 3.28Å; Q349-F352 PolarHBondContact O-N 2.71Å; Q349-F352 VanDerWaalsContact O-N 3.11Å; Q349-N353 PolarHBondContact O-N 3.2Å; Q349-N353 VanDerWaalsContact O-N 3.15Å; Q349-G354 PolarHBondContact O-N 2.93Å; Q349-L357 HydrophobicContact CG-CD1 3.75Å; Q349-L357 HydrophobicContact CG-CD2 3.83Å; Q349-L357 HydrophobicContact CG-CG 3.5Å
350D98Very high97.1Very high93 Ų9358.4 Ų58.450%0.49730%0.298SS..Hα-helixtrans-58.2-43.7177.9-69.7-16.2000110K346 F352 N353K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.48Å; K346-D350 PolarHBondContact O-N 2.93Å; D350-F352 VanDerWaalsContact C-N 3.31Å; D350-F352 PolarHBondContact O-N 3.42Å; D350-N353 PolarHBondContact O-N 2.74Å; D350-N353 VanDerWaalsContact O-N 3.15Å
351F98Very high96.9Very high19 Ų1954.5 Ų54.58%0.08329%0.285CS..Hα-helixtrans-60.8-38.4176.7-179.3-88.5000112.6L312 V315 E316 L319 K326 L347 L348 Q349 N353L312-F351 HydrophobicContact CD1-CD2 4.34Å; L312-F351 HydrophobicContact CD2-CB 3.95Å; L312-F351 HydrophobicContact CD2-CD2 4.12Å; L312-F351 HydrophobicContact CD2-CG 4.08Å; V315-F351 HydrophobicContact CG1-CD1 4.02Å; V315-F351 HydrophobicContact CG1-CE1 3.54Å; V315-F351 HydrophobicContact CG1-CZ 4.05Å; E316-F351 HydrophobicContact CG-CE2 3.44Å; E316-F351 VanDerWaalsContact CG-CE2 3.44Å; E316-F351 HydrophobicContact CG-CZ 3.49Å; E316-F351 VanDerWaalsContact CG-CZ 3.49Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.31Å; L319-F351 HydrophobicContact CD1-CE1 3.67Å; L319-F351 HydrophobicContact CD1-CZ 4.01Å; K326-F351 HydrophobicContact CD-CD1 3.89Å; K326-F351 HydrophobicContact CD-CE1 3.58Å; K326-F351 HydrophobicContact CD-CZ 4.07Å; K326-F351 WeakPolarHBondContact CD-O 3.04Å; K326-F351 HydrophobicContact CG-CE1 4.15Å; K326-F351 VanDerWaalsContact NZ-CE1 3.35Å; K326-F351 PolarHBondContact NZ-O 3.37Å; L347-F351 VanDerWaalsContact O-CB 3.26Å; L347-F351 WeakPolarHBondContact O-CB 3.34Å; L347-F351 PolarHBondContact O-N 3.28Å; L348-F351 PolarHBondContact O-N 2.79Å; Q349-F351 VanDerWaalsContact C-N 3.28Å; Q349-F351 PolarHBondContact O-N 2.64Å; F351-N353 VanDerWaalsContact C-N 3.32Å; F351-N353 PolarHBondContact O-N 3Å
352F98.1Very high96.8Very high7 Ų757.1 Ų57.13%0.03130%0.299CS..THydrogen-bonded Turntrans-92.426.5176.4-76.8-84.6000113.7L194 V315 L319 K326 I329 I332 L348 Q349 D350 G354 K355L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å; V315-F352 HydrophobicContact CG1-CE2 3.82Å; V315-F352 HydrophobicContact CG1-CZ 4.03Å; L319-F352 HydrophobicContact CD1-CE1 4.34Å; L319-F352 HydrophobicContact CD1-CZ 4.07Å; K326-F352 HydrophobicContact CB-CD1 3.81Å; K326-F352 HydrophobicContact CB-CE1 3.92Å; K326-F352 HydrophobicContact CD-CD1 4.48Å; K326-F352 HydrophobicContact CG-CD1 4.37Å; K326-F352 HydrophobicContact CG-CE1 4.25Å; I329-F352 HydrophobicContact CB-CE1 4.08Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CB 3.77Å; I332-F352 HydrophobicContact CD1-CD1 3.9Å; I332-F352 HydrophobicContact CD1-CD2 3.32Å; I332-F352 HydrophobicContact CD1-CE1 4.35Å; I332-F352 HydrophobicContact CD1-CE2 3.84Å; I332-F352 HydrophobicContact CD1-CG 3.39Å; I332-F352 HydrophobicContact CD1-CZ 4.35Å; I332-F352 HydrophobicContact CG1-CD2 4.33Å; I332-F352 HydrophobicContact CG1-CE2 4.4Å; I332-F352 HydrophobicContact CG1-CG 4.5Å; L348-F352 HydrophobicContact CD1-CD2 3.93Å; L348-F352 HydrophobicContact CD1-CE2 3.76Å; L348-F352 HydrophobicContact CG-CD2 4.36Å; L348-F352 WeakPolarHBondContact O-CD2 3.25Å; L348-F352 PolarHBondContact O-N 2.69Å; Q349-F352 CarbonylContact O-C 3.33Å; Q349-F352 VanDerWaalsContact O-C 3.28Å; Q349-F352 PolarHBondContact O-N 2.71Å; Q349-F352 VanDerWaalsContact O-N 3.11Å; D350-F352 VanDerWaalsContact C-N 3.31Å; D350-F352 PolarHBondContact O-N 3.42Å; F352-G354 VanDerWaalsContact C-N 3.32Å; F352-G354 PolarHBondContact O-N 2.89Å; F352-K355 HydrophobicContact CB-CB 3.85Å; F352-K355 HydrophobicContact CB-CD 4.47Å; F352-K355 WeakPolarHBondContact O-CB 3.38Å; F352-K355 PolarHBondContact O-N 2.77Å
353N97Very high96.8Very high142 Ų14256.2 Ų56.276%0.75929%0.293SS*.THydrogen-bonded Turntrans57.238.8174.5-52.8-50.2000114.1Q349 D350 F351Q349-N353 PolarHBondContact O-N 3.2Å; Q349-N353 VanDerWaalsContact O-N 3.15Å; D350-N353 PolarHBondContact O-N 2.74Å; D350-N353 VanDerWaalsContact O-N 3.15Å; F351-N353 VanDerWaalsContact C-N 3.32Å; F351-N353 PolarHBondContact O-N 3Å
354G96.7Very high96.7Very high56 Ų5656 Ų5658%0.57730%0.295SS*.THydrogen-bonded Turntrans82.510178.800000114.9Q349 F352 E356Q349-G354 PolarHBondContact O-N 2.93Å; F352-G354 VanDerWaalsContact C-N 3.32Å; F352-G354 PolarHBondContact O-N 2.89Å; G354-E356 PolarHBondContact O-N 3.35Å
355K97.6Very high96.6Very high60 Ų6057.4 Ų57.426%0.26130%0.301SS..PPolyproline II helixtrans-54.1136.3174.2-177.3-178.3-82.6-82.90110.8I329 H330 I332 F352I329-K355 WeakPolarHBondContact O-CE 3.47Å; I329-K355 PolarHBondContact O-NZ 3.22Å; H330-K355 PolarHBondContact O-NZ 2.87Å; I332-K355 HydrophobicContact CD1-CB 4.45Å; I332-K355 HydrophobicContact CD1-CD 3.64Å; I332-K355 HydrophobicContact CD1-CG 4.24Å; I332-K355 HydrophobicContact CG1-CD 4.08Å; F352-K355 HydrophobicContact CB-CB 3.85Å; F352-K355 HydrophobicContact CB-CD 4.47Å; F352-K355 WeakPolarHBondContact O-CB 3.38Å; F352-K355 PolarHBondContact O-N 2.77Å
356E97.3Very high96.6Very high167 Ų16756.1 Ų56.178%0.7830%0.295SS*.PPolyproline II helixtrans-67.5134.4177.3-170.6173.3-174.900111.1G354G354-E356 PolarHBondContact O-N 3.35Å
357L97.7Very high96.6Very high7 Ų751 Ų514%0.03727%0.274CS..PPolyproline II helixtrans-83.3136.3177-55179.6000109.7I332 L334 Q345 L348 Q349 K359I332-L357 HydrophobicContact CB-CD2 4.03Å; I332-L357 HydrophobicContact CD1-CD2 4.01Å; I332-L357 HydrophobicContact CG2-CD2 3.79Å; L334-L357 HydrophobicContact CD1-CB 4.15Å; L334-L357 HydrophobicContact CD1-CD1 3.93Å; L334-L357 HydrophobicContact CD2-CD1 4.23Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.46Å; Q345-L357 HydrophobicContact CB-CD1 3.59Å; Q345-L357 HydrophobicContact CG-CD1 3.82Å; L348-L357 HydrophobicContact CB-CD2 4.44Å; L348-L357 HydrophobicContact CD2-CD2 3.99Å; L348-L357 HydrophobicContact CG-CD2 4.06Å; Q349-L357 HydrophobicContact CG-CD1 3.75Å; Q349-L357 HydrophobicContact CG-CD2 3.83Å; Q349-L357 HydrophobicContact CG-CG 3.5Å; L357-K359 PolarHBondContact O-N 3.21Å
358N95.2Very high96.6Very high23 Ų2349.8 Ų49.812%0.12327%0.267CS..BIsolated β-bridgetrans-78.5115.8179.5-165.1-52.4000110.4Y181 D331 I332 V333 S360Y181-N358 WeakPolarHBondContact CE2-ND2 3.48Å; D331-N358 PolarHBondContact OD1-ND2 2.73Å; D331-N358 VanDerWaalsContact OD1-ND2 3.16Å; I332-N358 WeakPolarHBondContact O-CA 3.3Å; I332-N358 WeakPolarHBondContact O-CB 3.27Å; I332-N358 PolarHBondContact O-N 2.9Å; V333-N358 HydrophobicContact CG2-CB 4.24Å; N358-S360 VanDerWaalsContact OD1-CB 3.3Å; N358-S360 WeakPolarHBondContact OD1-CB 3.48Å; N358-S360 PolarHBondContact OD1-N 2.99Å; N358-S360 PolarHBondContact OD1-OG 3.29Å
359K92.4Very high96.6Very high137 Ų13752 Ų5260%0.59628%0.276SS*.  trans-114.923.2179.3-60.6177.1179.5-179.30112L334 L357 I361L334-K359 HydrophobicContact CD1-CG 4.44Å; L357-K359 PolarHBondContact O-N 3.21Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.1Å
360S92Very high96.5Very high69 Ų6949 Ų4948%0.48326%0.262SS..SBendtrans-76.9-12.2-173.664.10000114.5N358N358-S360 VanDerWaalsContact OD1-CB 3.3Å; N358-S360 WeakPolarHBondContact OD1-CB 3.48Å; N358-S360 PolarHBondContact OD1-N 2.99Å; N358-S360 PolarHBondContact OD1-OG 3.29Å
361I93.5Very high96.5Very high31 Ų3144.6 Ų44.616%0.15924%0.239CC..SBendtrans-118.2154.1176.167.3179.5000110.3V333 K359 P363 A366V333-I361 HydrophobicContact CG1-CD1 3.41Å; V333-I361 VanDerWaalsContact CG1-CD1 3.41Å; V333-I361 HydrophobicContact CG1-CG1 4.01Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.1Å; I361-P363 WeakPolarHBondContact O-CD 3.37Å; I361-A366 HydrophobicContact CD1-CB 3.56Å; I361-A366 HydrophobicContact CG1-CB 4.19Å
362N95.7Very high96.4Very high59 Ų5943.8 Ų43.832%0.31624%0.235SC..  trans-74.1117.2173.2-175.6-12000109.6R340 D364 E365 A366R340-N362 PolarHBondContact NH2-OD1 3.42Å; N362-D364 PolarHBondContact O-N 2.85Å; N362-D364 PolarHBondContact OD1-N 2.89Å; N362-D364 VanDerWaalsContact OD1-N 3.14Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.31Å; N362-E365 WeakPolarHBondContact ND2-CG 3.5Å; N362-E365 PolarHBondContact ND2-OE1 3.04Å; N362-E365 PolarHBondContact ND2-OE2 2.86Å; N362-E365 PolarHBondContact O-N 2.94Å; N362-E365 VanDerWaalsContact O-N 3.17Å; N362-A366 WeakPolarHBondContact O-CB 3.18Å; N362-A366 PolarHBondContact O-N 2.7Å
363P96.7Very high96.3Very high20 Ų2043.4 Ų43.413%0.1323%0.233CC..THydrogen-bonded Turntrans-63.4-23.9-175.526.1-36.1000113.6G336 I361G336-P363 PolarHBondContact N-O 2.78Å; I361-P363 WeakPolarHBondContact O-CD 3.37Å
364D96.3Very high96.2Very high56 Ų5636.9 Ų36.930%0.29920%0.198SC..THydrogen-bonded Turntrans-88.7-10-178-59.2-61.6000113T35 G337 R340 N362T35-D364 HydrophobicContact CG2-CB 4.31Å; G337-D364 WeakPolarHBondContact CA-OD1 3.5Å; G337-D364 PolarHBondContact N-OD1 3.09Å; G337-D364 VanDerWaalsContact N-OD1 3.16Å; R340-D364 IonicContact CZ-OD2 3.97Å; R340-D364 IonicContact NE-OD2 3.64Å; R340-D364 PolarHBondContact NE-OD2 3.23Å; R340-D364 IonicContact NH2-OD2 2.96Å; R340-D364 PolarHBondContact NH2-OD2 3.49Å; N362-D364 PolarHBondContact O-N 2.85Å; N362-D364 PolarHBondContact OD1-N 2.89Å; N362-D364 VanDerWaalsContact OD1-N 3.14Å
365E97.2Very high96.1Very high29 Ų2934.2 Ų34.214%0.13617%0.171CC..THydrogen-bonded Turntrans-119.2-21.4-175.7-62.8173.4-175.400112.8I26 R34 N362 V367 A368 Y369I26-E365 HydrophobicContact CD1-CB 4.49Å; I26-E365 HydrophobicContact CG1-CB 4.19Å; I26-E365 HydrophobicContact CG1-CG 4.48Å; I26-E365 HydrophobicContact CG2-CG 4.22Å; R34-E365 WeakPolarHBondContact CD-OE1 3.36Å; R34-E365 IonicContact NH1-OE1 2.91Å; R34-E365 PolarHBondContact NH1-OE1 3.21Å; R34-E365 IonicContact NH1-OE2 2.73Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.31Å; N362-E365 WeakPolarHBondContact ND2-CG 3.5Å; N362-E365 PolarHBondContact ND2-OE1 3.04Å; N362-E365 PolarHBondContact ND2-OE2 2.86Å; N362-E365 PolarHBondContact O-N 2.94Å; N362-E365 VanDerWaalsContact O-N 3.17Å; E365-V367 VanDerWaalsContact C-N 3.27Å; E365-V367 PolarHBondContact O-N 3.12Å; E365-V367 VanDerWaalsContact O-N 3.17Å; E365-A368 PolarHBondContact O-N 3.07Å; E365-Y369 WeakPolarHBondContact O-CB 3.42Å; E365-Y369 PolarHBondContact O-N 2.85Å
366A97Very high95.9Very high3 Ų331.6 Ų31.63%0.02516%0.161CC..Hα-helixtrans-53-40-172.900000114A177 A180 I361 N362 Y369 G370A177-A366 HydrophobicContact CB-CB 4.2Å; A180-A366 HydrophobicContact CB-CB 4.31Å; A180-A366 VanDerWaalsContact CB-O 3.24Å; A180-A366 WeakPolarHBondContact CB-O 2.99Å; I361-A366 HydrophobicContact CD1-CB 3.56Å; I361-A366 HydrophobicContact CG1-CB 4.19Å; N362-A366 WeakPolarHBondContact O-CB 3.18Å; N362-A366 PolarHBondContact O-N 2.7Å; A366-Y369 WeakPolarHBondContact O-CB 3.35Å; A366-Y369 PolarHBondContact O-N 3.26Å; A366-G370 PolarHBondContact O-N 2.78Å
367V98Very high95.7Very high5 Ų525.8 Ų25.83%0.0313%0.134CC..Hα-helixtrans-67-50.9-179.6174.60000111D8 T143 E173 A176 A177 V335 E365 Y369 G370 A371D8-V367 HydrophobicContact CB-CB 4.14Å; D8-V367 HydrophobicContact CB-CG1 3.76Å; T143-V367 HydrophobicContact CG2-CG1 3.42Å; T143-V367 VanDerWaalsContact CG2-CG1 3.42Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.49Å; E173-V367 HydrophobicContact CB-CG1 4.19Å; E173-V367 HydrophobicContact CB-CG2 4.29Å; E173-V367 HydrophobicContact CG-CG1 3.81Å; A176-V367 HydrophobicContact CB-CG1 4.45Å; A176-V367 WeakPolarHBondContact CB-O 3.38Å; A177-V367 HydrophobicContact CB-CG2 4.29Å; V335-V367 HydrophobicContact CG1-CG2 3.66Å; E365-V367 VanDerWaalsContact C-N 3.27Å; E365-V367 PolarHBondContact O-N 3.12Å; E365-V367 VanDerWaalsContact O-N 3.17Å; V367-Y369 PolarHBondContact O-N 2.98Å; V367-G370 PolarHBondContact O-N 2.84Å; V367-A371 WeakPolarHBondContact O-CB 3.46Å; V367-A371 PolarHBondContact O-N 3.08Å
368A98.3Very high95.4Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-62.7-35176.600000111.5D8 C15 I26 E365 A371 A372D8-A368 HydrophobicContact CB-CB 3.89Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.54Å; I26-A368 HydrophobicContact CD1-CB 4.22Å; E365-A368 PolarHBondContact O-N 3.07Å; A368-A371 PolarHBondContact O-N 2.94Å; A368-A372 WeakPolarHBondContact O-CB 3.33Å; A368-A372 PolarHBondContact O-N 2.55Å
369Y97.2Very high95.3Very high47 Ų4729.3 Ų29.318%0.18416%0.156CC..Hα-helixtrans-59.6-53.6175.5-171.3-68.6000111.1V24 A180 L183 E365 A366 V367 A371 A372 V373V24-Y369 HydrophobicContact CB-CD1 4.18Å; V24-Y369 HydrophobicContact CB-CD2 3.69Å; V24-Y369 HydrophobicContact CB-CE1 3.95Å; V24-Y369 HydrophobicContact CB-CE2 3.48Å; V24-Y369 VanDerWaalsContact CB-CE2 3.48Å; V24-Y369 HydrophobicContact CB-CG 4.03Å; V24-Y369 HydrophobicContact CG1-CD1 4.39Å; V24-Y369 HydrophobicContact CG1-CD2 3.67Å; V24-Y369 HydrophobicContact CG1-CE2 4.02Å; V24-Y369 HydrophobicContact CG1-CG 3.88Å; V24-Y369 HydrophobicContact CG2-CD1 3.83Å; V24-Y369 HydrophobicContact CG2-CD2 4.26Å; V24-Y369 HydrophobicContact CG2-CE1 3.53Å; V24-Y369 HydrophobicContact CG2-CE2 4.06Å; V24-Y369 HydrophobicContact CG2-CG 4.16Å; A180-Y369 HydrophobicContact CB-CD1 3.58Å; A180-Y369 HydrophobicContact CB-CE1 4.41Å; A180-Y369 HydrophobicContact CB-CG 3.98Å; L183-Y369 HydrophobicContact CD2-CE1 3.92Å; E365-Y369 WeakPolarHBondContact O-CB 3.42Å; E365-Y369 PolarHBondContact O-N 2.85Å; A366-Y369 WeakPolarHBondContact O-CB 3.35Å; A366-Y369 PolarHBondContact O-N 3.26Å; V367-Y369 PolarHBondContact O-N 2.98Å; Y369-A371 VanDerWaalsContact C-N 3.31Å; Y369-A371 PolarHBondContact O-N 2.72Å; Y369-A372 WeakPolarHBondContact O-CB 3.48Å; Y369-A372 PolarHBondContact O-N 3.35Å; Y369-A372 VanDerWaalsContact O-N 3.11Å; Y369-V373 HydrophobicContact CD1-CG2 4.12Å; Y369-V373 HydrophobicContact CE1-CG2 3.95Å; Y369-V373 PolarHBondContact O-N 2.66Å; Y369-V373 VanDerWaalsContact O-N 3.12Å
370G96.3Very high95Very high0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-63.1-37178.200000113.5A176 A366 V367 A372 V373 Q374A176-G370 VanDerWaalsContact O-CA 3.27Å; A176-G370 WeakPolarHBondContact O-CA 3.3Å; A366-G370 PolarHBondContact O-N 2.78Å; V367-G370 PolarHBondContact O-N 2.84Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 2.71Å; G370-V373 PolarHBondContact O-N 2.9Å; G370-Q374 PolarHBondContact O-N 2.79Å
371A97.8Very high94.6Very high0 Ų024.1 Ų24.10%014%0.141CC..Hα-helixtrans-61.7-38.1173.600000111.8G6 V141 T143 V367 A368 Y369 Q374 A375G6-A371 VanDerWaalsContact CA-C 3.5Å; V141-A371 HydrophobicContact CG1-CB 4.26Å; T143-A371 HydrophobicContact CG2-CB 3.66Å; V367-A371 WeakPolarHBondContact O-CB 3.46Å; V367-A371 PolarHBondContact O-N 3.08Å; A368-A371 PolarHBondContact O-N 2.94Å; Y369-A371 VanDerWaalsContact C-N 3.31Å; Y369-A371 PolarHBondContact O-N 2.72Å; A371-Q374 PolarHBondContact O-N 3.26Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 2.98Å
372A96.8Very high93.9Very high1 Ų131.1 Ų31.11%0.00817%0.17CC..Hα-helixtrans-68.6-38.6178.700000111.7V24 A368 Y369 G370 A375 A376V24-A372 HydrophobicContact CG1-CB 3.79Å; V24-A372 HydrophobicContact CG2-CB 4.28Å; A368-A372 WeakPolarHBondContact O-CB 3.33Å; A368-A372 PolarHBondContact O-N 2.55Å; Y369-A372 WeakPolarHBondContact O-CB 3.48Å; Y369-A372 PolarHBondContact O-N 3.35Å; Y369-A372 VanDerWaalsContact O-N 3.11Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 2.71Å; A372-A375 PolarHBondContact O-N 3.26Å; A372-A376 PolarHBondContact O-N 2.97Å
373V94.9Very high93.3Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-60.1-48.7171176.80000110.5V24 I179 L183 Y369 G370 A375 A376 I377 V386 L389V24-V373 HydrophobicContact CG2-CG2 3.53Å; I179-V373 HydrophobicContact CG2-CB 3.77Å; I179-V373 HydrophobicContact CG2-CG1 3.68Å; I179-V373 HydrophobicContact CG2-CG2 4.09Å; L183-V373 HydrophobicContact CD1-CG1 4.46Å; L183-V373 HydrophobicContact CD2-CG2 3.88Å; Y369-V373 HydrophobicContact CD1-CG2 4.12Å; Y369-V373 HydrophobicContact CE1-CG2 3.95Å; Y369-V373 PolarHBondContact O-N 2.66Å; Y369-V373 VanDerWaalsContact O-N 3.12Å; G370-V373 PolarHBondContact O-N 2.9Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.81Å; V373-A376 VanDerWaalsContact O-CB 3.3Å; V373-A376 WeakPolarHBondContact O-CB 3.47Å; V373-A376 PolarHBondContact O-N 2.84Å; V373-A376 VanDerWaalsContact O-N 3.11Å; V373-I377 HydrophobicContact CG1-CD1 4Å; V373-I377 WeakPolarHBondContact O-CG1 3.24Å; V373-I377 PolarHBondContact O-N 3.14Å; V373-V386 HydrophobicContact CG1-CB 4.47Å; V373-V386 HydrophobicContact CG1-CG1 3.83Å; V373-L389 HydrophobicContact CG1-CD1 4.18Å
374Q95Very high92.4Very high4 Ų437.4 Ų37.42%0.01920%0.2CC..Hα-helixtrans-62.3-37.6179.3-172.861.645.100112.2V141 I171 G370 A371 A376 I377 L378V141-Q374 HydrophobicContact CG1-CB 4.24Å; V141-Q374 HydrophobicContact CG1-CG 4.17Å; V141-Q374 HydrophobicContact CG2-CB 4.48Å; V141-Q374 HydrophobicContact CG2-CG 4.27Å; I171-Q374 HydrophobicContact CD1-CB 4.24Å; I171-Q374 HydrophobicContact CD1-CG 4.09Å; G370-Q374 PolarHBondContact O-N 2.79Å; A371-Q374 PolarHBondContact O-N 3.26Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-I377 PolarHBondContact O-N 2.87Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.31Å; Q374-L378 WeakPolarHBondContact O-CG 3.33Å; Q374-L378 PolarHBondContact O-N 3.23Å
375A95.9Very high91.3Very high0 Ų037.3 Ų37.30%021%0.207CC..Hα-helixtrans-63.1-39.9174.800000111.6A4 V141 A371 A372 V373 S379A4-A375 HydrophobicContact CB-CB 3.91Å; V141-A375 HydrophobicContact CB-CB 4.14Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; A371-A375 WeakPolarHBondContact O-CB 3.45Å; A371-A375 PolarHBondContact O-N 2.98Å; A372-A375 PolarHBondContact O-N 3.26Å; V373-A375 VanDerWaalsContact C-N 3.29Å; V373-A375 PolarHBondContact O-N 2.81Å; A375-S379 WeakPolarHBondContact O-CB 3.39Å; A375-S379 PolarHBondContact O-N 2.91Å; A375-S379 PolarHBondContact O-OG 3.22Å
376A93.8Very high90.6Very high6 Ų636 Ų365%0.0520%0.201CC..Hα-helixtrans-62.4-48.8175.600000112F19 A372 V373 Q374 L378 S379 G380 D381F19-A376 HydrophobicContact CB-CB 3.51Å; F19-A376 HydrophobicContact CD1-CB 3.74Å; F19-A376 HydrophobicContact CD2-CB 4.36Å; F19-A376 HydrophobicContact CG-CB 3.62Å; A372-A376 PolarHBondContact O-N 2.97Å; V373-A376 VanDerWaalsContact O-CB 3.3Å; V373-A376 WeakPolarHBondContact O-CB 3.47Å; V373-A376 PolarHBondContact O-N 2.84Å; V373-A376 VanDerWaalsContact O-N 3.11Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; A376-L378 PolarHBondContact O-N 3.16Å; A376-S379 CarbonylContact O-C 3.52Å; A376-S379 PolarHBondContact O-N 3.23Å; A376-S379 VanDerWaalsContact O-N 3.14Å; A376-G380 PolarHBondContact O-N 3.28Å; A376-D381 HydrophobicContact CB-CB 3.99Å; A376-D381 WeakPolarHBondContact O-CB 3.33Å; A376-D381 PolarHBondContact O-N 3.34Å
377I92.1Very high89.7Confident44 Ų4441.9 Ų41.923%0.22623%0.228CC..Hα-helixtrans-57.8-48.9178.6-66.2165.3000110.5V373 Q374 S379 G380 V386 L389V373-I377 HydrophobicContact CG1-CD1 4Å; V373-I377 WeakPolarHBondContact O-CG1 3.24Å; V373-I377 PolarHBondContact O-N 3.14Å; Q374-I377 PolarHBondContact O-N 2.87Å; I377-S379 PolarHBondContact O-N 2.85Å; I377-G380 PolarHBondContact O-N 3.35Å; I377-G380 VanDerWaalsContact O-N 3.09Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.91Å; I377-V386 HydrophobicContact CG1-CG2 4.28Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.22Å; I377-L389 HydrophobicContact CD1-CD2 3.87Å; I377-L389 HydrophobicContact CD1-CG 4.16Å
378L92.4Very high88.8Confident64 Ų6447.5 Ų47.534%0.33526%0.258SS..Hα-helixtrans-68.9-22.4-178.9-67.8173.1000113.3V141 L168 R169 Q374 A376 G380V141-L378 HydrophobicContact CG2-CD1 3.89Å; L168-L378 HydrophobicContact CB-CD1 4.04Å; L168-L378 HydrophobicContact CD1-CB 4.09Å; R169-L378 HydrophobicContact CB-CD1 3.5Å; R169-L378 VanDerWaalsContact CB-CD1 3.5Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.31Å; Q374-L378 WeakPolarHBondContact O-CG 3.33Å; Q374-L378 PolarHBondContact O-N 3.23Å; A376-L378 PolarHBondContact O-N 3.16Å; L378-G380 VanDerWaalsContact C-N 3.3Å
379S91.4Very high88.3Confident41 Ų4148.7 Ų48.729%0.28726%0.264SS..THydrogen-bonded Turntrans-904.4175.5-50.50000113.4A4 A375 A376 I377A4-S379 WeakPolarHBondContact CB-OG 3.49Å; A375-S379 WeakPolarHBondContact O-CB 3.39Å; A375-S379 PolarHBondContact O-N 2.91Å; A375-S379 PolarHBondContact O-OG 3.22Å; A376-S379 CarbonylContact O-C 3.52Å; A376-S379 PolarHBondContact O-N 3.23Å; A376-S379 VanDerWaalsContact O-N 3.14Å; I377-S379 PolarHBondContact O-N 2.85Å
380G86.3Confident88Confident50 Ų5050.6 Ų50.652%0.51528%0.277SS..THydrogen-bonded Turntrans76.928.9176.100000114.4A376 I377 L378A376-G380 PolarHBondContact O-N 3.28Å; I377-G380 PolarHBondContact O-N 3.35Å; I377-G380 VanDerWaalsContact O-N 3.09Å; L378-G380 VanDerWaalsContact C-N 3.3Å
381D83.7Confident87.8Confident47 Ų4752 Ų5225%0.25128%0.284SS..  trans-59.2138.4168.2-158.1-59000109.9A376 C383 V386A376-D381 HydrophobicContact CB-CB 3.99Å; A376-D381 WeakPolarHBondContact O-CB 3.33Å; A376-D381 PolarHBondContact O-N 3.34Å; D381-C383 VanDerWaalsContact OD1-CB 3.28Å; D381-C383 WeakPolarHBondContact OD1-CB 3.3Å; D381-C383 PolarHBondContact OD1-N 3.11Å; D381-V386 HydrophobicContact CB-CG2 4.49Å
382K79.9Confident87.5Confident177 Ų17754.4 Ų54.477%0.7730%0.297SS*.  trans-111.515.4-174.6-60.3-173.2179.8-177.70112.4E384K382-E384 PolarHBondContact O-N 2.83Å
383C81.8Confident87.3Confident35 Ų3555.1 Ų55.124%0.23630%0.3CS..  trans-60.9131173.9-174.20000109.8F19 D381 A385 V386 Q387F19-C383 HydrophobicContact CE1-CB 3.94Å; F19-C383 HydrophobicContact CZ-CB 4.06Å; D381-C383 VanDerWaalsContact OD1-CB 3.28Å; D381-C383 WeakPolarHBondContact OD1-CB 3.3Å; D381-C383 PolarHBondContact OD1-N 3.11Å; C383-A385 PolarHBondContact O-N 3.18Å; C383-V386 HydrophobicContact CB-CG2 4.22Å; C383-V386 WeakPolarHBondContact O-CG2 3.46Å; C383-V386 PolarHBondContact O-N 2.9Å; C383-Q387 PolarHBondContact O-N 2.82Å
384E78.8Confident87.2Confident176 Ų17655.2 Ų55.282%0.82230%0.301SS*.Hα-helixtrans-52.9-28.6177-69.2-176.4170.600112.4K382 V386K382-E384 PolarHBondContact O-N 2.83Å; E384-V386 VanDerWaalsContact C-N 3.26Å; E384-V386 PolarHBondContact O-N 3.27Å
385A73.6Confident86.9Confident54 Ų5455.2 Ų55.245%0.44630%0.302SS..Hα-helixtrans-64.9-26179.700000114L183 C383L183-A385 WeakPolarHBondContact CD1-O 3.49Å; C383-A385 PolarHBondContact O-N 3.18Å
386V81.8Confident86.4Confident1 Ų156.3 Ų56.31%0.00631%0.309CS..Hα-helixtrans-121.3-13-172.3-57.90000113.9F19 L183 V373 I377 D381 C383 E384 D388 L389F19-V386 HydrophobicContact CD2-CG1 4.44Å; F19-V386 HydrophobicContact CE2-CG1 3.67Å; F19-V386 HydrophobicContact CZ-CG1 3.71Å; F19-V386 HydrophobicContact CZ-CG2 4.45Å; L183-V386 HydrophobicContact CD1-CG1 4.11Å; V373-V386 HydrophobicContact CG1-CB 4.47Å; V373-V386 HydrophobicContact CG1-CG1 3.83Å; I377-V386 HydrophobicContact CD1-CB 4.37Å; I377-V386 HydrophobicContact CG1-CB 3.91Å; I377-V386 HydrophobicContact CG1-CG2 4.28Å; D381-V386 HydrophobicContact CB-CG2 4.49Å; C383-V386 HydrophobicContact CB-CG2 4.22Å; C383-V386 WeakPolarHBondContact O-CG2 3.46Å; C383-V386 PolarHBondContact O-N 2.9Å; E384-V386 VanDerWaalsContact C-N 3.26Å; E384-V386 PolarHBondContact O-N 3.27Å; V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.96Å; V386-L389 PolarHBondContact O-N 2.88Å
387Q77.3Confident86.1Confident127 Ų12757.5 Ų57.559%0.59331%0.314SS*.Hα-helixtrans-63.4-35.5-170.9-176.3174.8-13.200113.5C383C383-Q387 PolarHBondContact O-N 2.82Å
388D80.4Confident86Confident124 Ų12455.8 Ų55.866%0.66331%0.306SS*.THydrogen-bonded Turntrans-95.29.1-175.4-61.8-35.2000113.2V386 L390V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.96Å; D388-L390 PolarHBondContact O-N 3.45Å
389L87.9Confident86Confident24 Ų2453.5 Ų53.513%0.12629%0.294CS..  trans-77.2117.4-178.2-167.1154.1000111.3I179 G213 F215 V373 I377 V386I179-L389 HydrophobicContact CD1-CD2 4.41Å; I179-L389 HydrophobicContact CG1-CD1 4.33Å; I179-L389 HydrophobicContact CG1-CD2 4.5Å; I179-L389 HydrophobicContact CG2-CD1 3.82Å; G213-L389 WeakPolarHBondContact O-CA 3.46Å; F215-L389 HydrophobicContact CD2-CD1 4.17Å; F215-L389 HydrophobicContact CD2-CD2 4.18Å; F215-L389 HydrophobicContact CD2-CG 3.83Å; F215-L389 HydrophobicContact CE2-CD1 3.66Å; F215-L389 HydrophobicContact CE2-CD2 4.47Å; F215-L389 HydrophobicContact CE2-CG 3.69Å; F215-L389 HydrophobicContact CZ-CD1 4.3Å; V373-L389 HydrophobicContact CG1-CD1 4.18Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.22Å; I377-L389 HydrophobicContact CD1-CD2 3.87Å; I377-L389 HydrophobicContact CD1-CG 4.16Å; V386-L389 PolarHBondContact O-N 2.88Å
390L89.9Confident86.1Confident88 Ų8851.5 Ų51.546%0.46128%0.28SS..EExtended strand (participates in β ladder)trans-113.3128.9172.8-179.764.9000110.5G213 I214 F215 D388 L392G213-L390 PolarHBondContact O-N 2.9Å; I214-L390 WeakPolarHBondContact CA-O 3.31Å; I214-L390 HydrophobicContact CG1-CB 4.33Å; I214-L390 HydrophobicContact CG1-CD2 4.46Å; I214-L390 HydrophobicContact CG2-CD2 4.43Å; F215-L390 PolarHBondContact N-O 3.31Å; D388-L390 PolarHBondContact O-N 3.45Å; L390-L392 HydrophobicContact CD2-CG 4.49Å; L390-L392 HydrophobicContact CG-CD2 4.48Å; L390-L392 HydrophobicContact CG-CG 4.42Å
391L91.3Very high86.5Confident28 Ų2849.3 Ų49.315%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-109.3122.1179-167.769.5000111.2I171 T175 I179 F215I171-L391 HydrophobicContact CD1-CD2 3.68Å; I171-L391 HydrophobicContact CG1-CD2 4.15Å; T175-L391 HydrophobicContact CG2-CD1 3.13Å; T175-L391 HydrophobicContact CG2-CD2 3.6Å; T175-L391 HydrophobicContact CG2-CG 3.72Å; I179-L391 HydrophobicContact CD1-CD1 4.2Å; I179-L391 HydrophobicContact CG1-CD1 4.41Å; F215-L391 HydrophobicContact CB-CD1 3.8Å
392L92.6Very high86.9Confident52 Ų5250.2 Ų50.227%0.27226%0.259SS..EExtended strand (participates in β ladder)trans-118.696.8174.6-60.9176.3000109I214 F215 E216 V217 L390 T417I214-L392 HydrophobicContact CG2-CD1 4.23Å; F215-L392 PolarHBondContact O-N 3.14Å; E216-L392 HydrophobicContact CB-CB 4.31Å; E216-L392 HydrophobicContact CB-CD1 4.41Å; E216-L392 HydrophobicContact CG-CB 4.01Å; E216-L392 HydrophobicContact CG-CD1 4.12Å; V217-L392 PolarHBondContact N-O 2.89Å; L390-L392 HydrophobicContact CD2-CG 4.49Å; L390-L392 HydrophobicContact CG-CD2 4.48Å; L390-L392 HydrophobicContact CG-CG 4.42Å; L392-T417 HydrophobicContact CB-CG2 4.08Å; L392-T417 HydrophobicContact CD2-CG2 4.31Å
393D93.3Very high87.4Confident15 Ų1543.7 Ų43.78%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-90.6173.1178.3-144.4-41.5000111.2N172 T175 T417 I418N172-D393 WeakPolarHBondContact CB-OD2 3.32Å; N172-D393 PolarHBondContact ND2-OD1 3.06Å; N172-D393 PolarHBondContact ND2-OD2 2.82Å; T175-D393 PolarHBondContact OG1-OD2 3.16Å; D393-T417 CarbonylContact O-C 3.53Å; D393-T417 VanDerWaalsContact O-CA 3.24Å; D393-T417 WeakPolarHBondContact O-CA 3.41Å; D393-I418 HydrophobicContact CB-CD1 4.38Å; D393-I418 HydrophobicContact CB-CG1 4.07Å; D393-I418 PolarHBondContact O-N 3.1Å
394V91.9Very high87.4Confident2 Ų244.9 Ų44.91%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-133.2158.3-177.8-60.40000113.4V217 T220 N415 T416V217-V394 HydrophobicContact CB-CG1 4.23Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.5Å; V217-V394 HydrophobicContact CG1-CG2 3.64Å; V217-V394 WeakPolarHBondContact O-CG1 3.41Å; T220-V394 HydrophobicContact CG2-CG2 4.13Å; V394-N415 WeakPolarHBondContact CG1-O 3.27Å; V394-N415 HydrophobicContact CG2-CB 4.48Å; V394-T416 CarbonylContact C-O 3.52Å; V394-T416 VanDerWaalsContact CA-O 3.27Å; V394-T416 WeakPolarHBondContact CA-O 3.23Å
395A89Confident87.6Confident5 Ų539.9 Ų39.94%0.04124%0.243CC..  trans-72.8126171.500000111.2L397 I412 R414 N415 T416 I418 I478A395-L397 PolarHBondContact O-N 3.42Å; A395-I412 HydrophobicContact CB-CG2 4.41Å; A395-R414 CarbonylContact O-C 3.48Å; A395-N415 WeakPolarHBondContact O-CA 3.39Å; A395-N415 PolarHBondContact O-N 3.01Å; A395-T416 PolarHBondContact N-O 3.47Å; A395-I418 HydrophobicContact CB-CG2 4.25Å; A395-I478 HydrophobicContact CB-CD1 4.16Å
396P85.5Confident88.1Confident22 Ų2238.2 Ų38.214%0.14323%0.231CC..SBendtrans-70.7-29.1-175.128.8-37.9000114.1A146 Y147 T220A146-P396 WeakPolarHBondContact O-CG 3.5Å; Y147-P396 HydrophobicContact CD2-CB 3.9Å; Y147-P396 HydrophobicContact CE2-CB 3.88Å; Y147-P396 HydrophobicContact CG-CB 4.42Å; T220-P396 HydrophobicContact CG2-CB 3.71Å
397L87.4Confident88.4Confident31 Ų3141.1 Ų41.116%0.16225%0.248CC..SBendtrans-133.7157-178.8-67.6175.2000110.2Y147 A395 E442 E444Y147-L397 HydrophobicContact CE1-CD2 4.13Å; Y147-L397 HydrophobicContact CE1-CG 4.36Å; A395-L397 PolarHBondContact O-N 3.42Å; L397-E442 HydrophobicContact CB-CB 4.47Å; L397-E442 HydrophobicContact CD1-CG 4.31Å; L397-E444 HydrophobicContact CD2-CG 4.3Å
398S89.7Confident89Confident8 Ų836 Ų366%0.05623%0.225CC..  trans-69.8138.4173.4-55.40000110.5I412 R414 E442 G443 E444S398-I412 CarbonylContact C-O 3.58Å; S398-I412 VanDerWaalsContact CA-O 3.23Å; S398-I412 WeakPolarHBondContact CA-O 3.12Å; S398-R414 PolarHBondContact OG-N 3.22Å; S398-E442 VanDerWaalsContact O-CA 3.31Å; S398-E442 WeakPolarHBondContact O-CA 3.5Å; S398-G443 PolarHBondContact O-N 2.96Å; S398-E444 WeakPolarHBondContact CB-OE1 3.43Å; S398-E444 PolarHBondContact N-OE1 2.91Å; S398-E444 PolarHBondContact OG-OE1 2.82Å; S398-E444 PolarHBondContact OG-OE2 2.91Å
399L92.3Very high89.7Confident16 Ų1631.8 Ų31.88%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-113.4132.9178-56.8172.8000109.1L411 I412 E442 L454 F476 I478 L484L399-L411 PolarHBondContact O-N 3.34Å; L399-I412 HydrophobicContact CB-CB 4.37Å; L399-I412 PolarHBondContact N-O 2.93Å; L399-I412 PolarHBondContact O-N 3.15Å; L399-I412 VanDerWaalsContact O-N 3.13Å; L399-E442 HydrophobicContact CD2-CB 3.64Å; L399-L454 HydrophobicContact CD2-CD1 3.85Å; L399-F476 HydrophobicContact CB-CD1 3.88Å; L399-F476 HydrophobicContact CB-CE1 3.99Å; L399-I478 HydrophobicContact CD1-CD1 3.34Å; L399-I478 HydrophobicContact CD1-CG1 3.9Å; L399-L484 HydrophobicContact CB-CD2 4.33Å; L399-L484 HydrophobicContact CD1-CB 4.46Å; L399-L484 HydrophobicContact CD1-CD1 4.05Å; L399-L484 HydrophobicContact CD1-CD2 3.84Å; L399-L484 HydrophobicContact CD1-CG 4.33Å; L399-L484 HydrophobicContact CD2-CD2 4.19Å; L399-L484 HydrophobicContact CG-CD2 4.34Å
400G93.2Very high89.9Confident0 Ų032.5 Ų32.50%021%0.213CC..EExtended strand (participates in β ladder)trans-164.7-176.9-172.300000113.2M408 T409 V440 F441G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; G400-T409 CarbonylContact C-O 3.57Å; G400-T409 WeakPolarHBondContact CA-O 3.38Å; G400-V440 WeakPolarHBondContact O-CA 3.49Å; G400-F441 PolarHBondContact N-O 2.87Å; G400-F441 VanDerWaalsContact N-O 3.07Å; G400-F441 PolarHBondContact O-N 2.81Å
401L94.6Very high90.1Very high4 Ų429.3 Ų29.32%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-127.2160-178.264.985.6000112.2T403 T409 L411 F426 Q439 V474 F476L401-T403 HydrophobicContact CD1-CG2 3.67Å; L401-T409 PolarHBondContact N-O 2.97Å; L401-T409 PolarHBondContact O-N 3.45Å; L401-L411 HydrophobicContact CD2-CD1 4.22Å; L401-L411 HydrophobicContact CG-CD1 4.26Å; L401-F426 HydrophobicContact CD1-CD1 4.25Å; L401-F426 HydrophobicContact CD1-CE1 3.9Å; L401-F426 HydrophobicContact CD1-CE2 4.45Å; L401-F426 HydrophobicContact CD1-CZ 4.02Å; L401-F426 HydrophobicContact CD2-CD2 4.13Å; L401-F426 HydrophobicContact CD2-CE1 4.48Å; L401-F426 HydrophobicContact CD2-CE2 3.62Å; L401-F426 HydrophobicContact CD2-CZ 3.82Å; L401-F426 HydrophobicContact CG-CE1 4.47Å; L401-F426 HydrophobicContact CG-CE2 4.39Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; L401-Q439 WeakPolarHBondContact CA-O 3.15Å; L401-Q439 WeakPolarHBondContact CB-O 3.37Å; L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.66Å; L401-V474 HydrophobicContact CD2-CG2 4.05Å; L401-F476 HydrophobicContact CB-CZ 4.29Å; L401-F476 HydrophobicContact CD2-CE2 4.15Å
402E92.7Very high90.3Very high65 Ų6528 Ų2830%0.30419%0.189SC..EExtended strand (participates in β ladder)trans-73.9125.1173-169.5170102.600111.7Q439 F441 T448E402-Q439 HydrophobicContact CB-CB 4.25Å; E402-Q439 VanDerWaalsContact CD-NE2 3.34Å; E402-Q439 PolarHBondContact N-O 2.89Å; E402-Q439 PolarHBondContact OE1-NE2 3.5Å; E402-F441 HydrophobicContact CB-CE2 3.82Å; E402-T448 HydrophobicContact CB-CG2 3.77Å; E402-T448 HydrophobicContact CG-CG2 3.87Å; E402-T448 WeakPolarHBondContact OE2-CB 3.44Å; E402-T448 PolarHBondContact OE2-OG1 2.76Å
403T89.5Confident90.4Very high40 Ų4032.4 Ų32.425%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-108.5179.916759.10000111.1L401 G405 G406 V407 T409 F426L401-T403 HydrophobicContact CD1-CG2 3.67Å; T403-G405 PolarHBondContact O-N 2.57Å; T403-G406 PolarHBondContact O-N 2.73Å; T403-G406 VanDerWaalsContact O-N 3.13Å; T403-V407 PolarHBondContact N-O 2.94Å; T403-V407 PolarHBondContact O-N 2.83Å; T403-V407 PolarHBondContact OG1-O 2.81Å; T403-T409 HydrophobicContact CG2-CG2 4.47Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.18Å; T403-T409 PolarHBondContact OG1-OG1 2.67Å; T403-F426 HydrophobicContact CG2-CD1 3.99Å; T403-F426 HydrophobicContact CG2-CE1 3.74Å
404A83.2Confident90.3Very high60 Ų6034.2 Ų34.250%0.49621%0.212SC..THydrogen-bonded Turntrans-47.8133.7-176.200000113Y429A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE2 3.47Å; A404-Y429 VanDerWaalsContact CB-CE2 3.47Å
405G81.9Confident90.2Very high72 Ų7235.5 Ų35.574%0.74222%0.219SC*.THydrogen-bonded Turntrans8210.9-178.600000115T403T403-G405 PolarHBondContact O-N 2.57Å
406G85Confident90.5Very high19 Ų1937.1 Ų37.120%0.19623%0.228CC..THydrogen-bonded Turntrans75.827179.800000112.9T403 L447 T448T403-G406 PolarHBondContact O-N 2.73Å; T403-G406 VanDerWaalsContact O-N 3.13Å; G406-L447 CarbonylContact O-C 3.53Å; G406-L447 VanDerWaalsContact O-CA 3.29Å; G406-L447 WeakPolarHBondContact O-CA 3.19Å; G406-T448 PolarHBondContact O-N 3.01Å; G406-T448 PolarHBondContact O-OG1 3.21Å; G406-T448 VanDerWaalsContact O-OG1 3.11Å
407V88.5Confident91Very high61 Ų6138.7 Ų38.737%0.3724%0.238SC..EExtended strand (participates in β ladder)trans-87.2133.3-177178.10000109.8T403 T409 L447T403-V407 PolarHBondContact N-O 2.94Å; T403-V407 PolarHBondContact O-N 2.83Å; T403-V407 PolarHBondContact OG1-O 2.81Å; V407-T409 PolarHBondContact O-N 3.35Å; V407-L447 HydrophobicContact CG2-CD2 4.33Å
408M89.8Confident91.3Very high21 Ų2137.9 Ų37.910%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-76.6119.1174.117957.7169.600110.2G400 F441 R445 A446 T448 N451G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.3Å; M408-F441 HydrophobicContact CE-CB 3.88Å; M408-F441 WeakPolarHBondContact CE-O 3.5Å; M408-F441 HydrophobicContact SD-CB 3.79Å; M408-R445 WeakPolarHBondContact CB-O 3.33Å; M408-A446 PolarHBondContact N-O 2.72Å; M408-T448 HydrophobicContact CB-CG2 4.05Å; M408-T448 HydrophobicContact SD-CG2 4.27Å; M408-N451 WeakPolarHBondContact CB-ND2 3.5Å; M408-N451 WeakPolarHBondContact CG-ND2 3.26Å
409T94Very high91.5Very high34 Ų3441.8 Ų41.821%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-110.1103.7173.6-55.90000109.6G400 L401 T403 V407 L411 F426G400-T409 CarbonylContact C-O 3.57Å; G400-T409 WeakPolarHBondContact CA-O 3.38Å; L401-T409 PolarHBondContact N-O 2.97Å; L401-T409 PolarHBondContact O-N 3.45Å; T403-T409 HydrophobicContact CG2-CG2 4.47Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.18Å; T403-T409 PolarHBondContact OG1-OG1 2.67Å; V407-T409 PolarHBondContact O-N 3.35Å; T409-L411 VanDerWaalsContact O-CD1 3.31Å; T409-L411 WeakPolarHBondContact O-CD1 3.16Å; T409-F426 HydrophobicContact CG2-CE1 4.11Å; T409-F426 HydrophobicContact CG2-CZ 4.23Å
410A91.6Very high91.7Very high40 Ų4042.3 Ų42.333%0.33126%0.263SS..EExtended strand (participates in β ladder)trans-75.7126.518000000111.6
411L95.8Very high91.8Very high20 Ų2048.5 Ų48.511%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-97.9-40.9173.5-80.471.9000110.8L399 L401 T409 Q422 Q424 F426 F476L399-L411 PolarHBondContact O-N 3.34Å; L401-L411 HydrophobicContact CD2-CD1 4.22Å; L401-L411 HydrophobicContact CG-CD1 4.26Å; T409-L411 VanDerWaalsContact O-CD1 3.31Å; T409-L411 WeakPolarHBondContact O-CD1 3.16Å; L411-Q422 HydrophobicContact CB-CB 4.43Å; L411-Q424 HydrophobicContact CD2-CB 3.99Å; L411-Q424 HydrophobicContact CG-CB 4.19Å; L411-F426 HydrophobicContact CD1-CE2 4.36Å; L411-F426 HydrophobicContact CD1-CZ 3.95Å; L411-F426 HydrophobicContact CD2-CE2 4.38Å; L411-F476 HydrophobicContact CB-CD2 4.35Å; L411-F476 HydrophobicContact CB-CG 4.28Å; L411-F476 HydrophobicContact CD1-CE2 4.45Å; L411-F476 HydrophobicContact CD2-CD2 3.54Å; L411-F476 HydrophobicContact CD2-CE2 3.9Å; L411-F476 HydrophobicContact CD2-CG 4.23Å; L411-F476 HydrophobicContact CG-CD2 4.42Å
412I94.8Very high91.9Very high1 Ų152.3 Ų52.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-111.8119.4172.4-60.3172.4000106.7A395 S398 L399 T416 T420 Q422 F476 I478A395-I412 HydrophobicContact CB-CG2 4.41Å; S398-I412 CarbonylContact C-O 3.58Å; S398-I412 VanDerWaalsContact CA-O 3.23Å; S398-I412 WeakPolarHBondContact CA-O 3.12Å; L399-I412 HydrophobicContact CB-CB 4.37Å; L399-I412 PolarHBondContact N-O 2.93Å; L399-I412 PolarHBondContact O-N 3.15Å; L399-I412 VanDerWaalsContact O-N 3.13Å; I412-T416 HydrophobicContact CG2-CG2 4.16Å; I412-T420 HydrophobicContact CD1-CG2 3.9Å; I412-T420 HydrophobicContact CG1-CG2 4.35Å; I412-T420 HydrophobicContact CG2-CG2 4.13Å; I412-Q422 HydrophobicContact CG1-CB 3.9Å; I412-Q422 HydrophobicContact CG1-CG 3.67Å; I412-F476 HydrophobicContact CD1-CB 3.65Å; I412-F476 HydrophobicContact CG1-CB 4.14Å; I412-I478 HydrophobicContact CB-CD1 4.44Å; I412-I478 HydrophobicContact CD1-CD1 3.5Å; I412-I478 VanDerWaalsContact CD1-CD1 3.5Å; I412-I478 HydrophobicContact CD1-CG1 3.63Å; I412-I478 HydrophobicContact CG2-CD1 3.88Å
413K93.7Very high92.1Very high145 Ų14552.5 Ų52.563%0.6331%0.313SS*.  trans-82.1152.8178.5-64.6179.9-178.6176.40109.8T416K413-T416 PolarHBondContact N-OG1 2.9Å; K413-T416 VanDerWaalsContact O-CB 3.24Å; K413-T416 WeakPolarHBondContact O-CB 3.37Å; K413-T416 PolarHBondContact O-N 2.97Å; K413-T416 VanDerWaalsContact O-N 3.17Å; K413-T416 PolarHBondContact O-OG1 2.9Å
414R91.1Very high92.4Very high52 Ų5254.4 Ų54.420%0.19632%0.319CS..THydrogen-bonded Turntrans-50.2150167.265.5-172.6-92.5-160.1-1.5111.3K317 D321 A395 S398 T416 E444K317-R414 VanDerWaalsContact CG-NH2 3.33Å; D321-R414 IonicContact OD1-CZ 2.69Å; D321-R414 VanDerWaalsContact OD1-CZ 3.32Å; D321-R414 IonicContact OD1-NE 3.9Å; D321-R414 IonicContact OD1-NH2 3.4Å; D321-R414 PolarHBondContact OD1-NH2 3.34Å; D321-R414 IonicContact OD2-CZ 2.96Å; D321-R414 IonicContact OD2-NE 3.06Å; D321-R414 PolarHBondContact OD2-NE 3.25Å; D321-R414 IonicContact OD2-NH2 3.31Å; D321-R414 PolarHBondContact OD2-NH2 3.14Å; A395-R414 CarbonylContact O-C 3.48Å; S398-R414 PolarHBondContact OG-N 3.22Å; R414-T416 PolarHBondContact O-N 3.49Å; R414-E444 WeakPolarHBondContact CD-OE1 3.48Å; R414-E444 WeakPolarHBondContact CD-OE2 3.32Å
415N91.6Very high93Very high30 Ų3054.5 Ų54.516%0.1631%0.313CS..THydrogen-bonded Turntrans60.315.2-174.5-52.4-46.1000114.7S219 T220 D321 V394 A395S219-N415 WeakPolarHBondContact CA-OD1 3.44Å; T220-N415 PolarHBondContact N-OD1 2.74Å; T220-N415 VanDerWaalsContact N-OD1 3.16Å; D321-N415 VanDerWaalsContact CB-ND2 3.29Å; D321-N415 WeakPolarHBondContact CB-ND2 3.23Å; D321-N415 VanDerWaalsContact CG-ND2 3.32Å; D321-N415 PolarHBondContact OD2-ND2 2.9Å; V394-N415 WeakPolarHBondContact CG1-O 3.27Å; V394-N415 HydrophobicContact CG2-CB 4.48Å; A395-N415 WeakPolarHBondContact O-CA 3.39Å; A395-N415 PolarHBondContact O-N 3.01Å
416T95.1Very high93.5Very high39 Ų3952.6 Ų52.624%0.23928%0.284CS..  trans-70.9130.3167.8-57.90000109V394 A395 I412 K413 R414 T420V394-T416 CarbonylContact C-O 3.52Å; V394-T416 VanDerWaalsContact CA-O 3.27Å; V394-T416 WeakPolarHBondContact CA-O 3.23Å; A395-T416 PolarHBondContact N-O 3.47Å; I412-T416 HydrophobicContact CG2-CG2 4.16Å; K413-T416 PolarHBondContact N-OG1 2.9Å; K413-T416 VanDerWaalsContact O-CB 3.24Å; K413-T416 WeakPolarHBondContact O-CB 3.37Å; K413-T416 PolarHBondContact O-N 2.97Å; K413-T416 VanDerWaalsContact O-N 3.17Å; K413-T416 PolarHBondContact O-OG1 2.9Å; R414-T416 PolarHBondContact O-N 3.49Å; T416-T420 HydrophobicContact CG2-CG2 3.99Å
417T95.7Very high93.8Very high55 Ų5555.3 Ų55.334%0.33730%0.297SS..EExtended strand (participates in β ladder)trans-56.6137.9176.2-48.70000111.7L392 D393 T420L392-T417 HydrophobicContact CB-CG2 4.08Å; L392-T417 HydrophobicContact CD2-CG2 4.31Å; D393-T417 CarbonylContact O-C 3.53Å; D393-T417 VanDerWaalsContact O-CA 3.24Å; D393-T417 WeakPolarHBondContact O-CA 3.41Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.42Å
418I92.5Very high93.8Very high13 Ų1352.6 Ų52.67%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-116.9149.1177.262.1168.4000110.8D393 A395 T420 I478D393-I418 HydrophobicContact CB-CD1 4.38Å; D393-I418 HydrophobicContact CB-CG1 4.07Å; D393-I418 PolarHBondContact O-N 3.1Å; A395-I418 HydrophobicContact CB-CG2 4.25Å; I418-T420 HydrophobicContact CG2-CG2 4.26Å; I418-I478 HydrophobicContact CB-CG2 4.21Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.12Å; I418-I478 HydrophobicContact CG2-CD1 4.1Å; I418-I478 HydrophobicContact CG2-CG2 3.77Å
419P94.4Very high93.7Very high91 Ų9158.9 Ų58.959%0.59131%0.305SS*.SBendcis-68.7149.1129.7-35.9000113.3I478P419-I478 CarbonylContact C-O 3.5Å; P419-I478 WeakPolarHBondContact CA-O 3.25Å; P419-I478 VanDerWaalsContact CB-O 3.29Å; P419-I478 WeakPolarHBondContact CB-O 3.25Å
420T96.1Very high93.4Very high27 Ų2760 Ų6017%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-152.2151.3-179.9-164.60000112.4I412 T416 T417 I418 I478I412-T420 HydrophobicContact CD1-CG2 3.9Å; I412-T420 HydrophobicContact CG1-CG2 4.35Å; I412-T420 HydrophobicContact CG2-CG2 4.13Å; T416-T420 HydrophobicContact CG2-CG2 3.99Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.42Å; I418-T420 HydrophobicContact CG2-CG2 4.26Å; T420-I478 HydrophobicContact CG2-CB 4.48Å; T420-I478 HydrophobicContact CG2-CD1 4.29Å; T420-I478 PolarHBondContact N-O 3.41Å; T420-I478 PolarHBondContact O-N 3.39Å
421K96.7Very high93.4Very high130 Ų13062.7 Ų62.757%0.56532%0.323SS*.EExtended strand (participates in β ladder)trans-132.2124.2180-173.4176.3-176.1176.50110.1T475 F476 D477K421-T475 HydrophobicContact CD-CG2 4.19Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; K421-F476 CarbonylContact C-O 3.54Å; K421-F476 WeakPolarHBondContact CA-O 3.27Å; K421-D477 HydrophobicContact CG-CB 4.25Å
422Q96.9Very high93.3Very high84 Ų8466.3 Ų66.339%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-125.5134.1178.5-66.2-64.2-15.100110.1L411 I412 T475 F476L411-Q422 HydrophobicContact CB-CB 4.43Å; I412-Q422 HydrophobicContact CG1-CB 3.9Å; I412-Q422 HydrophobicContact CG1-CG 3.67Å; Q422-T475 CarbonylContact O-C 3.59Å; Q422-T475 WeakPolarHBondContact O-CA 3.25Å; Q422-F476 PolarHBondContact N-O 3.38Å; Q422-F476 PolarHBondContact O-N 3.41Å
423T96.3Very high93Very high68 Ų6868.2 Ų68.242%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-125.9133.4-179.7-640000109.8E473 V474 T475T423-E473 HydrophobicContact CG2-CG 3.22Å; T423-V474 WeakPolarHBondContact CA-O 3.46Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.3Å; T423-T475 PolarHBondContact OG1-OG1 3.24Å
424Q95.7Very high92.9Very high81 Ų8165.7 Ų65.738%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-138.6142.2175.8-172.71725.200110.7L411 F426 V474L411-Q424 HydrophobicContact CD2-CB 3.99Å; L411-Q424 HydrophobicContact CG-CB 4.19Å; Q424-F426 HydrophobicContact CB-CE2 3.77Å; Q424-F426 HydrophobicContact CB-CZ 4.13Å; Q424-F426 HydrophobicContact CG-CE2 3.89Å; Q424-F426 HydrophobicContact CG-CZ 3.89Å; Q424-F426 WeakPolarHBondContact O-CD2 3.36Å; Q424-V474 PolarHBondContact N-O 3.14Å; Q424-V474 PolarHBondContact O-N 3.37Å
425T94.9Very high92.7Very high61 Ų6163.6 Ų63.637%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-93.2128.8177.8-53.40000110.8Q471 I472T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.25Å; T425-I472 CarbonylContact C-O 3.1Å; T425-I472 WeakPolarHBondContact CA-O 3.24Å
426F93.6Very high92.7Very high32 Ų3263.1 Ų63.114%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-115.2174.1174.9-63.1-87.7000110.1L401 T403 T409 L411 Q424 I472 V474L401-F426 HydrophobicContact CD1-CD1 4.25Å; L401-F426 HydrophobicContact CD1-CE1 3.9Å; L401-F426 HydrophobicContact CD1-CE2 4.45Å; L401-F426 HydrophobicContact CD1-CZ 4.02Å; L401-F426 HydrophobicContact CD2-CD2 4.13Å; L401-F426 HydrophobicContact CD2-CE1 4.48Å; L401-F426 HydrophobicContact CD2-CE2 3.62Å; L401-F426 HydrophobicContact CD2-CZ 3.82Å; L401-F426 HydrophobicContact CG-CE1 4.47Å; L401-F426 HydrophobicContact CG-CE2 4.39Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; T403-F426 HydrophobicContact CG2-CD1 3.99Å; T403-F426 HydrophobicContact CG2-CE1 3.74Å; T409-F426 HydrophobicContact CG2-CE1 4.11Å; T409-F426 HydrophobicContact CG2-CZ 4.23Å; L411-F426 HydrophobicContact CD1-CE2 4.36Å; L411-F426 HydrophobicContact CD1-CZ 3.95Å; L411-F426 HydrophobicContact CD2-CE2 4.38Å; Q424-F426 HydrophobicContact CB-CE2 3.77Å; Q424-F426 HydrophobicContact CB-CZ 4.13Å; Q424-F426 HydrophobicContact CG-CE2 3.89Å; Q424-F426 HydrophobicContact CG-CZ 3.89Å; Q424-F426 WeakPolarHBondContact O-CD2 3.36Å; F426-I472 PolarHBondContact N-O 2.85Å; F426-I472 PolarHBondContact O-N 3.4Å; F426-V474 HydrophobicContact CD2-CB 3.98Å; F426-V474 HydrophobicContact CD2-CG2 3.72Å; F426-V474 HydrophobicContact CE2-CB 4.04Å; F426-V474 HydrophobicContact CE2-CG2 4.23Å
427T90.5Very high92.4Very high76 Ų7665.3 Ų65.347%0.46635%0.352SS..EExtended strand (participates in β ladder)trans-136.7165.4178.861.40000111.4P470T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.39Å; T427-P470 WeakPolarHBondContact CB-O 3.31Å; T427-P470 WeakPolarHBondContact CG2-O 3.47Å
428T89.5Confident92.3Very high4 Ų463.1 Ų63.13%0.02534%0.338CS..  trans-67.3146.5175.452.20000111.7Q433 V436 I462 G468 P470T428-Q433 HydrophobicContact CG2-CB 4.07Å; T428-Q433 HydrophobicContact CG2-CG 4.25Å; T428-V436 HydrophobicContact CG2-CG2 3.9Å; T428-I462 HydrophobicContact CG2-CD1 4.19Å; T428-I462 HydrophobicContact CG2-CG2 4.37Å; T428-G468 PolarHBondContact O-N 2.89Å; T428-P470 HydrophobicContact CG2-CB 3.91Å; T428-P470 HydrophobicContact CG2-CG 3.87Å; T428-P470 WeakPolarHBondContact OG1-CD 3.44Å
429Y86.6Confident92.3Very high153 Ų15364.2 Ų64.260%0.634%0.343SS*.SBendtrans-85.7-31.2-177.7-179.6-110.4000112.5A404 R467A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE2 3.47Å; A404-Y429 VanDerWaalsContact CB-CE2 3.47Å; Y429-R467 WeakPolarHBondContact O-CD 3.3Å
430S89Confident92.2Very high58 Ų5859.9 Ų59.941%0.40632%0.315SS..SBendtrans-124152.9-177.1-63.50000112.3Q433S430-Q433 VanDerWaalsContact O-CB 3.29Å; S430-Q433 WeakPolarHBondContact O-CB 3.43Å; S430-Q433 PolarHBondContact O-N 3.19Å
431D91.7Very high91.8Very high97 Ų9759.1 Ų59.152%0.51931%0.309SS..THydrogen-bonded Turntrans-63.1139.5176.2-65.3-20.7000110.1Q433 R467D431-Q433 PolarHBondContact O-N 2.94Å; D431-Q433 VanDerWaalsContact O-N 3.09Å; D431-R467 WeakPolarHBondContact OD1-CB 3.02Å; D431-R467 WeakPolarHBondContact OD1-CG 3.41Å; D431-R467 PolarHBondContact OD1-N 2.85Å
432N92Very high91.3Very high96 Ų9654 Ų5451%0.51329%0.287SS..THydrogen-bonded Turntrans54.827.5178.8-52.1-53.4000113.9P434 P464 A465N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.31Å; N432-P464 HydrophobicContact CB-CB 4.04Å; N432-P464 VanDerWaalsContact OD1-CB 3.29Å; N432-P464 WeakPolarHBondContact OD1-CB 3.36Å; N432-A465 PolarHBondContact N-O 3.12Å; N432-A465 PolarHBondContact OD1-N 2.87Å
433Q89.9Confident90.7Very high40 Ų4050.5 Ų50.519%0.18727%0.274CS..  trans-61.5114.5176.8175.9173.5-12.100110T428 S430 D431 G435T428-Q433 HydrophobicContact CG2-CB 4.07Å; T428-Q433 HydrophobicContact CG2-CG 4.25Å; S430-Q433 VanDerWaalsContact O-CB 3.29Å; S430-Q433 WeakPolarHBondContact O-CB 3.43Å; S430-Q433 PolarHBondContact O-N 3.19Å; D431-Q433 PolarHBondContact O-N 2.94Å; D431-Q433 VanDerWaalsContact O-N 3.09Å; Q433-G435 VanDerWaalsContact C-N 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.43Å; Q433-G435 PolarHBondContact NE2-O 2.92Å; Q433-G435 PolarHBondContact O-N 3.24Å
434P90.1Very high90.1Very high92 Ų9251.4 Ų51.460%0.59727%0.273SS*.  trans-75.9-14.7-171.730.6-36.3000113.6N432 G461 I462N432-P434 VanDerWaalsContact O-CD 3.32Å; N432-P434 WeakPolarHBondContact O-CD 3.31Å; P434-G461 PolarHBondContact O-N 3.31Å; P434-I462 PolarHBondContact O-N 3.27Å
435G88.8Confident89.5Confident8 Ų855.5 Ų55.58%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-164.5158.9179.400000112.9Q433 L459Q433-G435 VanDerWaalsContact C-N 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.43Å; Q433-G435 PolarHBondContact NE2-O 2.92Å; Q433-G435 PolarHBondContact O-N 3.24Å; G435-L459 CarbonylContact C-O 3.55Å; G435-L459 WeakPolarHBondContact CA-O 3.45Å
436V89.7Confident89Confident20 Ų2056.3 Ų56.312%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-115.8123.2178.7174.30000109.4T428 I438 E458 L459 I462 I472T428-V436 HydrophobicContact CG2-CG2 3.9Å; V436-I438 HydrophobicContact CG1-CD1 3.63Å; V436-I438 HydrophobicContact CG1-CG1 4.28Å; V436-I438 PolarHBondContact O-N 3.48Å; V436-E458 WeakPolarHBondContact O-CA 3.39Å; V436-L459 PolarHBondContact N-O 2.87Å; V436-L459 PolarHBondContact O-N 2.81Å; V436-I462 HydrophobicContact CB-CD1 4.23Å; V436-I462 HydrophobicContact CG2-CD1 3.57Å; V436-I472 HydrophobicContact CG2-CG1 4.26Å
437L90.8Very high88.4Confident86 Ų8657.8 Ų57.845%0.4531%0.307SS..EExtended strand (participates in β ladder)trans-81.5110.8169.1-179.469.4000109Q439 K456L437-Q439 HydrophobicContact CD2-CG 3.95Å; L437-Q439 HydrophobicContact CG-CG 3.89Å; L437-K456 HydrophobicContact CD1-CB 4.36Å; L437-K456 HydrophobicContact CD1-CD 4.43Å
438I91.7Very high88.2Confident8 Ų854.4 Ų54.44%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-90.3119.8172.5-56.8-64.9000107.9V436 V440 K456 F457 V474 A488V436-I438 HydrophobicContact CG1-CD1 3.63Å; V436-I438 HydrophobicContact CG1-CG1 4.28Å; V436-I438 PolarHBondContact O-N 3.48Å; I438-V440 HydrophobicContact CG2-CG2 4.13Å; I438-K456 CarbonylContact O-C 3.53Å; I438-K456 WeakPolarHBondContact O-CA 3.44Å; I438-K456 WeakPolarHBondContact O-CB 3.39Å; I438-F457 HydrophobicContact CB-CD1 3.86Å; I438-F457 HydrophobicContact CB-CE1 3.49Å; I438-F457 VanDerWaalsContact CB-CE1 3.49Å; I438-F457 HydrophobicContact CB-CE2 4.21Å; I438-F457 HydrophobicContact CB-CG 4.39Å; I438-F457 HydrophobicContact CB-CZ 3.69Å; I438-F457 HydrophobicContact CG1-CE1 4.26Å; I438-F457 HydrophobicContact CG1-CE2 4.16Å; I438-F457 HydrophobicContact CG1-CZ 3.92Å; I438-F457 HydrophobicContact CG2-CD1 4.1Å; I438-F457 HydrophobicContact CG2-CE1 3.36Å; I438-F457 HydrophobicContact CG2-CZ 3.72Å; I438-F457 PolarHBondContact N-O 3.11Å; I438-F457 PolarHBondContact O-N 3.21Å; I438-V474 HydrophobicContact CD1-CG2 3.95Å; I438-A488 HydrophobicContact CG1-CB 4.11Å
439Q92.6Very high88Confident36 Ų3661.8 Ų61.817%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-114.7124.2175.1-58.6-174.898.100108.1L401 E402 L437 F441 L453 K456L401-Q439 WeakPolarHBondContact CA-O 3.15Å; L401-Q439 WeakPolarHBondContact CB-O 3.37Å; E402-Q439 HydrophobicContact CB-CB 4.25Å; E402-Q439 VanDerWaalsContact CD-NE2 3.34Å; E402-Q439 PolarHBondContact N-O 2.89Å; E402-Q439 PolarHBondContact OE1-NE2 3.5Å; L437-Q439 HydrophobicContact CD2-CG 3.95Å; L437-Q439 HydrophobicContact CG-CG 3.89Å; Q439-F441 HydrophobicContact CB-CD2 4.43Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.04Å; Q439-F441 WeakPolarHBondContact O-CD2 3.47Å; Q439-L453 HydrophobicContact CB-CD1 4.36Å; Q439-K456 HydrophobicContact CB-CB 4.28Å; Q439-K456 HydrophobicContact CG-CB 3.87Å; Q439-K456 HydrophobicContact CG-CD 4.42Å
440V92.3Very high87.7Confident0 Ų059 Ų590%031%0.314CS..EExtended strand (participates in β ladder)trans-107.4133.6-174-176.60000110.2G400 I438 L454 G455 F457 F476 L484 V486 I501G400-V440 WeakPolarHBondContact O-CA 3.49Å; I438-V440 HydrophobicContact CG2-CG2 4.13Å; V440-L454 PolarHBondContact O-N 2.95Å; V440-G455 PolarHBondContact N-O 3.33Å; V440-G455 PolarHBondContact O-N 2.98Å; V440-F457 HydrophobicContact CG2-CE1 4.48Å; V440-F476 HydrophobicContact CB-CZ 4.44Å; V440-F476 HydrophobicContact CG1-CE1 3.58Å; V440-F476 HydrophobicContact CG1-CZ 3.67Å; V440-F476 HydrophobicContact CG2-CZ 4.09Å; V440-L484 HydrophobicContact CG1-CD2 3.98Å; V440-V486 HydrophobicContact CG1-CG2 4.37Å; V440-V486 HydrophobicContact CG2-CB 4.25Å; V440-V486 HydrophobicContact CG2-CG1 3.98Å; V440-V486 HydrophobicContact CG2-CG2 4.17Å; V440-I501 HydrophobicContact CB-CD1 3.6Å; V440-I501 HydrophobicContact CG1-CD1 3.35Å; V440-I501 HydrophobicContact CG2-CD1 3.8Å; V440-I501 HydrophobicContact CG2-CG1 4.42Å
441F88.4Confident87.3Confident11 Ų1157.3 Ų57.35%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-129.4156.7-175.5-61.9-99.1000111.1G400 E402 M408 Q439 T448 N451 N452 L453G400-F441 PolarHBondContact N-O 2.87Å; G400-F441 VanDerWaalsContact N-O 3.07Å; G400-F441 PolarHBondContact O-N 2.81Å; E402-F441 HydrophobicContact CB-CE2 3.82Å; M408-F441 HydrophobicContact CE-CB 3.88Å; M408-F441 WeakPolarHBondContact CE-O 3.5Å; M408-F441 HydrophobicContact SD-CB 3.79Å; Q439-F441 HydrophobicContact CB-CD2 4.43Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.04Å; Q439-F441 WeakPolarHBondContact O-CD2 3.47Å; F441-T448 HydrophobicContact CD1-CG2 4.46Å; F441-T448 HydrophobicContact CD2-CG2 3.73Å; F441-T448 HydrophobicContact CE1-CG2 4.46Å; F441-T448 WeakPolarHBondContact CE1-O 3.31Å; F441-T448 HydrophobicContact CE2-CG2 3.75Å; F441-T448 HydrophobicContact CG-CG2 4.12Å; F441-T448 HydrophobicContact CZ-CG2 4.12Å; F441-N451 HydrophobicContact CB-CB 4.29Å; F441-N451 HydrophobicContact CD1-CB 4.32Å; F441-N452 CarbonylContact C-O 3.48Å; F441-N452 WeakPolarHBondContact CA-O 3.49Å; F441-N452 WeakPolarHBondContact CB-O 3.48Å; F441-L453 HydrophobicContact CD1-CB 4.03Å; F441-L453 HydrophobicContact CD1-CD1 4.15Å; F441-L453 HydrophobicContact CD2-CD1 4.47Å; F441-L453 HydrophobicContact CE1-CB 3.79Å; F441-L453 HydrophobicContact CE1-CD1 3.65Å; F441-L453 HydrophobicContact CE1-CG 4.3Å; F441-L453 HydrophobicContact CE2-CD1 3.99Å; F441-L453 HydrophobicContact CZ-CD1 3.56Å
442E87.1Confident86.9Confident23 Ų2355.6 Ų55.611%0.10729%0.291CS..EExtended strand (participates in β ladder)trans-115.6141.6161.569.1-177.5-164.700110.1N149 L397 S398 L399 N451 N452 L454N149-E442 WeakPolarHBondContact CB-OE2 3.43Å; L397-E442 HydrophobicContact CB-CB 4.47Å; L397-E442 HydrophobicContact CD1-CG 4.31Å; S398-E442 VanDerWaalsContact O-CA 3.31Å; S398-E442 WeakPolarHBondContact O-CA 3.5Å; L399-E442 HydrophobicContact CD2-CB 3.64Å; E442-N451 WeakPolarHBondContact O-CB 3.38Å; E442-N452 HydrophobicContact CG-CB 3.67Å; E442-N452 PolarHBondContact N-O 2.82Å; E442-N452 PolarHBondContact O-N 3.27Å; E442-N452 PolarHBondContact OE1-ND2 3.21Å; E442-L454 HydrophobicContact CB-CD1 3.99Å; E442-L454 HydrophobicContact CB-CD2 4.4Å; E442-L454 HydrophobicContact CB-CG 4.21Å; E442-L454 HydrophobicContact CG-CD1 4.41Å; E442-L454 HydrophobicContact CG-CD2 3.89Å; E442-L454 HydrophobicContact CG-CG 4.16Å
443G83.2Confident86.6Confident10 Ų1053.6 Ų53.610%0.10328%0.28CS..SBendtrans139.8175.1172.700000114.3S398 N451S398-G443 PolarHBondContact O-N 2.96Å; G443-N451 WeakPolarHBondContact CA-OD1 3.45Å
444E85Confident86.3Confident87 Ų8751.9 Ų51.941%0.40727%0.272SS..SBendtrans-112.14.5-170.1-55.4-61.1130.800113L397 S398 R414 N451L397-E444 HydrophobicContact CD2-CG 4.3Å; S398-E444 WeakPolarHBondContact CB-OE1 3.43Å; S398-E444 PolarHBondContact N-OE1 2.91Å; S398-E444 PolarHBondContact OG-OE1 2.82Å; S398-E444 PolarHBondContact OG-OE2 2.91Å; R414-E444 WeakPolarHBondContact CD-OE1 3.48Å; R414-E444 WeakPolarHBondContact CD-OE2 3.32Å; E444-N451 PolarHBondContact N-OD1 3.4Å
445R81.2Confident86.1Confident168 Ų16847.9 Ų47.963%0.63425%0.247SC*.  trans-82148.7177.5-55.8-61.3-155.1175.24.9110.6M408 L447 D450 N451M408-R445 WeakPolarHBondContact CB-O 3.33Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.35Å; R445-D450 HydrophobicContact CB-CB 3.83Å; R445-D450 HydrophobicContact CG-CB 3.87Å; R445-D450 WeakPolarHBondContact CG-O 3.34Å; R445-N451 WeakPolarHBondContact CA-OD1 3.41Å; R445-N451 WeakPolarHBondContact CB-OD1 3.11Å; R445-N451 PolarHBondContact N-OD1 3.31Å; R445-N451 PolarHBondContact O-ND2 3.3Å
446A84.4Confident86.1Confident78 Ų7853 Ų5365%0.64527%0.268SS*.SBendtrans-68-29.9-178.600000113.5M408M408-A446 PolarHBondContact N-O 2.72Å
447L81.8Confident86.1Confident63 Ų6353 Ų5333%0.3327%0.266SS..BIsolated β-bridgetrans-107.9137.9179.6-59.5176.6000110.2G406 V407 R445 K449 D450 N451G406-L447 CarbonylContact O-C 3.53Å; G406-L447 VanDerWaalsContact O-CA 3.29Å; G406-L447 WeakPolarHBondContact O-CA 3.19Å; V407-L447 HydrophobicContact CG2-CD2 4.33Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 3.35Å; L447-K449 VanDerWaalsContact C-N 3.29Å; L447-K449 HydrophobicContact CB-CG 4.09Å; L447-K449 PolarHBondContact O-N 2.91Å; L447-D450 PolarHBondContact O-N 3.45Å; L447-D450 VanDerWaalsContact O-N 3.16Å; L447-N451 PolarHBondContact O-ND2 2.86Å
448T87.1Confident86Confident5 Ų554.4 Ų54.43%0.03127%0.27CS..G310 helixtrans-64.1-31.7-177.150.50000113.4E402 G406 M408 F441 D450 N451E402-T448 HydrophobicContact CB-CG2 3.77Å; E402-T448 HydrophobicContact CG-CG2 3.87Å; E402-T448 WeakPolarHBondContact OE2-CB 3.44Å; E402-T448 PolarHBondContact OE2-OG1 2.76Å; G406-T448 PolarHBondContact O-N 3.01Å; G406-T448 PolarHBondContact O-OG1 3.21Å; G406-T448 VanDerWaalsContact O-OG1 3.11Å; M408-T448 HydrophobicContact CB-CG2 4.05Å; M408-T448 HydrophobicContact SD-CG2 4.27Å; F441-T448 HydrophobicContact CD1-CG2 4.46Å; F441-T448 HydrophobicContact CD2-CG2 3.73Å; F441-T448 HydrophobicContact CE1-CG2 4.46Å; F441-T448 WeakPolarHBondContact CE1-O 3.31Å; F441-T448 HydrophobicContact CE2-CG2 3.75Å; F441-T448 HydrophobicContact CG-CG2 4.12Å; F441-T448 HydrophobicContact CZ-CG2 4.12Å; T448-D450 PolarHBondContact O-N 3.36Å; T448-D450 VanDerWaalsContact O-N 3.13Å; T448-N451 PolarHBondContact O-N 3.05Å
449K83.9Confident85.9Confident159 Ų15954 Ų5469%0.69127%0.268SS*.G310 helixtrans-58.4-23.6175.271.2176.2-171174.60114.1L447L447-K449 VanDerWaalsContact C-N 3.29Å; L447-K449 HydrophobicContact CB-CG 4.09Å; L447-K449 PolarHBondContact O-N 2.91Å
450D80.1Confident85.8Confident94 Ų9455.5 Ų55.550%0.50328%0.282SS..G310 helixtrans-102.62.5-178.2-55.4-50.2000111.7R445 L447 T448R445-D450 HydrophobicContact CB-CB 3.83Å; R445-D450 HydrophobicContact CG-CB 3.87Å; R445-D450 WeakPolarHBondContact CG-O 3.34Å; L447-D450 PolarHBondContact O-N 3.45Å; L447-D450 VanDerWaalsContact O-N 3.16Å; T448-D450 PolarHBondContact O-N 3.36Å; T448-D450 VanDerWaalsContact O-N 3.13Å
451N81.4Confident85.5Confident23 Ų2357.1 Ų57.112%0.12330%0.299CS..SBendtrans-107.8170.9175.9-73.6-38.8000110.6M408 F441 E442 G443 E444 R445 L447 T448M408-N451 WeakPolarHBondContact CB-ND2 3.5Å; M408-N451 WeakPolarHBondContact CG-ND2 3.26Å; F441-N451 HydrophobicContact CB-CB 4.29Å; F441-N451 HydrophobicContact CD1-CB 4.32Å; E442-N451 WeakPolarHBondContact O-CB 3.38Å; G443-N451 WeakPolarHBondContact CA-OD1 3.45Å; E444-N451 PolarHBondContact N-OD1 3.4Å; R445-N451 WeakPolarHBondContact CA-OD1 3.41Å; R445-N451 WeakPolarHBondContact CB-OD1 3.11Å; R445-N451 PolarHBondContact N-OD1 3.31Å; R445-N451 PolarHBondContact O-ND2 3.3Å; L447-N451 PolarHBondContact O-ND2 2.86Å; T448-N451 PolarHBondContact O-N 3.05Å
452N82.6Confident85.4Confident61 Ų6157 Ų5733%0.32630%0.299SS..EExtended strand (participates in β ladder)trans-87.3126.6178.2-178.735.4000110.5F441 E442F441-N452 CarbonylContact C-O 3.48Å; F441-N452 WeakPolarHBondContact CA-O 3.49Å; F441-N452 WeakPolarHBondContact CB-O 3.48Å; E442-N452 HydrophobicContact CG-CB 3.67Å; E442-N452 PolarHBondContact N-O 2.82Å; E442-N452 PolarHBondContact O-N 3.27Å; E442-N452 PolarHBondContact OE1-ND2 3.21Å
453L86.3Confident85.5Confident54 Ų5458.8 Ų58.828%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-81.4118.5176.5175.671000109.5Q439 F441Q439-L453 HydrophobicContact CB-CD1 4.36Å; F441-L453 HydrophobicContact CD1-CB 4.03Å; F441-L453 HydrophobicContact CD1-CD1 4.15Å; F441-L453 HydrophobicContact CD2-CD1 4.47Å; F441-L453 HydrophobicContact CE1-CB 3.79Å; F441-L453 HydrophobicContact CE1-CD1 3.65Å; F441-L453 HydrophobicContact CE1-CG 4.3Å; F441-L453 HydrophobicContact CE2-CD1 3.99Å; F441-L453 HydrophobicContact CZ-CD1 3.56Å
454L83.8Confident85.9Confident3 Ų363.3 Ų63.32%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-88.1-38.6177.6-64.4-174.2000112.6N149 L399 V440 E442 L484 I501N149-L454 HydrophobicContact CB-CD2 4.32Å; L399-L454 HydrophobicContact CD2-CD1 3.85Å; V440-L454 PolarHBondContact O-N 2.95Å; E442-L454 HydrophobicContact CB-CD1 3.99Å; E442-L454 HydrophobicContact CB-CD2 4.4Å; E442-L454 HydrophobicContact CB-CG 4.21Å; E442-L454 HydrophobicContact CG-CD1 4.41Å; E442-L454 HydrophobicContact CG-CD2 3.89Å; E442-L454 HydrophobicContact CG-CG 4.16Å; L454-L484 HydrophobicContact CD1-CD2 4.01Å; L454-I501 HydrophobicContact CB-CG2 4.36Å
455G86.1Confident86.2Confident8 Ų860.1 Ų60.18%0.08233%0.329CS..EExtended strand (participates in β ladder)trans177.9174.7-179.500000113V440V440-G455 PolarHBondContact N-O 3.33Å; V440-G455 PolarHBondContact O-N 2.98Å
456K89.5Confident86.8Confident117 Ų11756 Ų5651%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-154152.217864.5-176.3-176.6178.80112.2L437 I438 Q439L437-K456 HydrophobicContact CD1-CB 4.36Å; L437-K456 HydrophobicContact CD1-CD 4.43Å; I438-K456 CarbonylContact O-C 3.53Å; I438-K456 WeakPolarHBondContact O-CA 3.44Å; I438-K456 WeakPolarHBondContact O-CB 3.39Å; Q439-K456 HydrophobicContact CB-CB 4.28Å; Q439-K456 HydrophobicContact CG-CB 3.87Å; Q439-K456 HydrophobicContact CG-CD 4.42Å
457F88.7Confident87Confident20 Ų2060.1 Ų60.19%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-154.2158.4178.764.5-74.4000111.4I438 V440 V486 A488 I499I438-F457 HydrophobicContact CB-CD1 3.86Å; I438-F457 HydrophobicContact CB-CE1 3.49Å; I438-F457 VanDerWaalsContact CB-CE1 3.49Å; I438-F457 HydrophobicContact CB-CE2 4.21Å; I438-F457 HydrophobicContact CB-CG 4.39Å; I438-F457 HydrophobicContact CB-CZ 3.69Å; I438-F457 HydrophobicContact CG1-CE1 4.26Å; I438-F457 HydrophobicContact CG1-CE2 4.16Å; I438-F457 HydrophobicContact CG1-CZ 3.92Å; I438-F457 HydrophobicContact CG2-CD1 4.1Å; I438-F457 HydrophobicContact CG2-CE1 3.36Å; I438-F457 HydrophobicContact CG2-CZ 3.72Å; I438-F457 PolarHBondContact N-O 3.11Å; I438-F457 PolarHBondContact O-N 3.21Å; V440-F457 HydrophobicContact CG2-CE1 4.48Å; F457-V486 HydrophobicContact CE1-CB 4.45Å; F457-V486 HydrophobicContact CE1-CG1 3.92Å; F457-V486 HydrophobicContact CZ-CG1 4.05Å; F457-A488 HydrophobicContact CE2-CB 3.66Å; F457-A488 HydrophobicContact CZ-CB 3.87Å; F457-I499 HydrophobicContact CB-CB 4.12Å; F457-I499 HydrophobicContact CB-CD1 3.54Å; F457-I499 HydrophobicContact CB-CG1 4.39Å; F457-I499 HydrophobicContact CB-CG2 4.13Å; F457-I499 HydrophobicContact CD1-CB 4.01Å; F457-I499 HydrophobicContact CD1-CD1 4.46Å; F457-I499 HydrophobicContact CD1-CG2 3.11Å; F457-I499 HydrophobicContact CD2-CB 4.19Å; F457-I499 HydrophobicContact CD2-CG2 3.99Å; F457-I499 HydrophobicContact CE1-CB 4.41Å; F457-I499 HydrophobicContact CE1-CG2 3.25Å; F457-I499 HydrophobicContact CE2-CG2 4.1Å; F457-I499 HydrophobicContact CG-CB 3.87Å; F457-I499 HydrophobicContact CG-CD1 4.2Å; F457-I499 HydrophobicContact CG-CG2 3.49Å; F457-I499 VanDerWaalsContact CG-CG2 3.49Å; F457-I499 HydrophobicContact CZ-CG2 3.75Å
458E89.6Confident87.4Confident114 Ų11459 Ų5953%0.53333%0.326SS..EExtended strand (participates in β ladder)trans-108.7127.3-179.6-169.4177177.900110.7V436 N497V436-E458 WeakPolarHBondContact O-CA 3.39Å; E458-N497 PolarHBondContact O-ND2 2.96Å
459L88.9Confident87.6Confident1 Ų162.9 Ų62.91%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-91.8101.4164.3176.766.4000108.1G435 V436 I472 A488 D490 N497G435-L459 CarbonylContact C-O 3.55Å; G435-L459 WeakPolarHBondContact CA-O 3.45Å; V436-L459 PolarHBondContact N-O 2.87Å; V436-L459 PolarHBondContact O-N 2.81Å; L459-I472 HydrophobicContact CD2-CD1 3.94Å; L459-I472 HydrophobicContact CD2-CG2 3.65Å; L459-A488 HydrophobicContact CD2-CB 4.21Å; L459-D490 HydrophobicContact CD2-CB 4.36Å; L459-N497 HydrophobicContact CD1-CB 3.74Å
460S89.5Confident87.9Confident67 Ų6756 Ų5647%0.46932%0.321SS..EExtended strand (participates in β ladder)trans-102.4166.8-177.463.50000112.9
461G86.2Confident88.5Confident34 Ų3456 Ų5635%0.35132%0.318SS..  trans80.127.3177.300000114.1P434 K495P434-G461 PolarHBondContact O-N 3.31Å; G461-K495 PolarHBondContact O-NZ 2.98Å
462I87Confident89Confident8 Ų855 Ų554%0.04131%0.313CS..PPolyproline II helixtrans-71.3126.4171.2-59.8174.1000108.1T428 P434 V436 P470 I472T428-I462 HydrophobicContact CG2-CD1 4.19Å; T428-I462 HydrophobicContact CG2-CG2 4.37Å; P434-I462 PolarHBondContact O-N 3.27Å; V436-I462 HydrophobicContact CB-CD1 4.23Å; V436-I462 HydrophobicContact CG2-CD1 3.57Å; I462-P470 HydrophobicContact CG2-CB 3.8Å; I462-P470 HydrophobicContact CG2-CG 3.87Å; I462-I472 HydrophobicContact CD1-CD1 3.91Å; I462-I472 HydrophobicContact CG1-CD1 4.49Å
463P89.1Confident89.6Confident61 Ų6154.7 Ų54.740%0.39631%0.31SS..PPolyproline II helixtrans-59.4144.7178.2-2434000112.4A465 T493P463-A465 PolarHBondContact O-N 3.3Å; P463-A465 VanDerWaalsContact O-N 3.09Å; P463-T493 HydrophobicContact CG-CG2 3.35Å
464P91.6Very high90Very high104 Ų10452.1 Ų52.168%0.67530%0.296SS*.PPolyproline II helixtrans-57.6116.2174.2-23.733.8000111.3N432N432-P464 HydrophobicContact CB-CB 4.04Å; N432-P464 VanDerWaalsContact OD1-CB 3.29Å; N432-P464 WeakPolarHBondContact OD1-CB 3.36Å
465A91.6Very high90.5Very high21 Ų2152.5 Ų52.517%0.17430%0.299CS..  trans-148.8158.6176.300000110N432 P463 T469 P470N432-A465 PolarHBondContact N-O 3.12Å; N432-A465 PolarHBondContact OD1-N 2.87Å; P463-A465 PolarHBondContact O-N 3.3Å; P463-A465 VanDerWaalsContact O-N 3.09Å; A465-T469 HydrophobicContact CB-CG2 4.36Å; A465-P470 HydrophobicContact CB-CG 4.04Å
466P93.1Very high90.9Very high80 Ų8052.1 Ų52.152%0.51930%0.295SS..  trans-56143.9171.6-22.533.4000111.2T469 P470P466-T469 WeakPolarHBondContact O-CB 3.48Å; P466-T469 PolarHBondContact O-N 2.85Å; P466-T469 PolarHBondContact O-OG1 2.83Å; P466-P470 WeakPolarHBondContact O-CD 3.46Å
467R89.9Confident91.2Very high166 Ų16649.3 Ų49.363%0.62629%0.285SS*.THydrogen-bonded Turntrans-50145174.569.3-175.4178.6168.9-1.4110.8Y429 D431 T469Y429-R467 WeakPolarHBondContact O-CD 3.3Å; D431-R467 WeakPolarHBondContact OD1-CB 3.02Å; D431-R467 WeakPolarHBondContact OD1-CG 3.41Å; D431-R467 PolarHBondContact OD1-N 2.85Å; R467-T469 PolarHBondContact O-N 3.49Å
468G88.7Confident91.3Very high40 Ų4048.6 Ų48.641%0.41228%0.282SS..THydrogen-bonded Turntrans81.7-14.5-174.900000115.3T428T428-G468 PolarHBondContact O-N 2.89Å
469T92.1Very high91.4Very high85 Ų8545.3 Ų45.352%0.52127%0.268SS..  trans-81.8-50.1179-47.70000112.7A465 P466 R467 Q471A465-T469 HydrophobicContact CB-CG2 4.36Å; P466-T469 WeakPolarHBondContact O-CB 3.48Å; P466-T469 PolarHBondContact O-N 2.85Å; P466-T469 PolarHBondContact O-OG1 2.83Å; R467-T469 PolarHBondContact O-N 3.49Å; T469-Q471 PolarHBondContact O-N 3.1Å
470P90.9Very high91.4Very high14 Ų1447.3 Ų47.39%0.09129%0.285CS..SBendtrans-63.1131.6173.7-20.333.9000110.9T427 T428 I462 A465 P466 I472T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.39Å; T427-P470 WeakPolarHBondContact CB-O 3.31Å; T427-P470 WeakPolarHBondContact CG2-O 3.47Å; T428-P470 HydrophobicContact CG2-CB 3.91Å; T428-P470 HydrophobicContact CG2-CG 3.87Å; T428-P470 WeakPolarHBondContact OG1-CD 3.44Å; I462-P470 HydrophobicContact CG2-CB 3.8Å; I462-P470 HydrophobicContact CG2-CG 3.87Å; A465-P470 HydrophobicContact CB-CG 4.04Å; P466-P470 WeakPolarHBondContact O-CD 3.46Å; P470-I472 HydrophobicContact CB-CD1 4.45Å
471Q92.8Very high91.3Very high95 Ų9545.2 Ų45.244%0.44427%0.268SS..EExtended strand (participates in β ladder)trans-108.1113.9179.3-68.9-173.316.700109.7T425 T469 K491T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.25Å; T469-Q471 PolarHBondContact O-N 3.1Å; Q471-K491 HydrophobicContact CB-CB 4.18Å; Q471-K491 HydrophobicContact CB-CD 4.17Å; Q471-K491 HydrophobicContact CB-CG 4.27Å; Q471-K491 PolarHBondContact O-N 3.02Å
472I92.1Very high91.3Very high1 Ų144.2 Ų44.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-105.2105.6-177.4-48.3-52.6000108.5T425 F426 V436 L459 I462 P470 V474 A488 V489 D490T425-I472 CarbonylContact C-O 3.1Å; T425-I472 WeakPolarHBondContact CA-O 3.24Å; F426-I472 PolarHBondContact N-O 2.85Å; F426-I472 PolarHBondContact O-N 3.4Å; V436-I472 HydrophobicContact CG2-CG1 4.26Å; L459-I472 HydrophobicContact CD2-CD1 3.94Å; L459-I472 HydrophobicContact CD2-CG2 3.65Å; I462-I472 HydrophobicContact CD1-CD1 3.91Å; I462-I472 HydrophobicContact CG1-CD1 4.49Å; P470-I472 HydrophobicContact CB-CD1 4.45Å; I472-V474 HydrophobicContact CG2-CG2 4.19Å; I472-V474 PolarHBondContact O-N 3.18Å; I472-A488 HydrophobicContact CG2-CB 4.21Å; I472-V489 CarbonylContact C-O 3.39Å; I472-V489 WeakPolarHBondContact CA-O 3.3Å; I472-D490 HydrophobicContact CD1-CB 3.97Å
473E94.2Very high91.3Very high56 Ų5644.2 Ų44.226%0.26226%0.259SS..EExtended strand (participates in β ladder)trans-81.6115.4175.7-169170.395.300109.6T423 A488 V489 K491T423-E473 HydrophobicContact CG2-CG 3.22Å; E473-A488 CarbonylContact O-C 3.59Å; E473-A488 VanDerWaalsContact O-CA 3.31Å; E473-A488 WeakPolarHBondContact O-CA 3.48Å; E473-V489 PolarHBondContact N-O 3.2Å; E473-V489 PolarHBondContact O-N 3.35Å; E473-K491 HydrophobicContact CB-CD 4.28Å; E473-K491 HydrophobicContact CB-CG 4.14Å; E473-K491 IonicContact OE2-NZ 3.65Å; E473-K491 PolarHBondContact OE2-NZ 3.27Å
474V94.1Very high91.2Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-108.4130.5177.3-175.20000109L401 T423 Q424 F426 I438 I472 F476 V486 S487 A488L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.66Å; L401-V474 HydrophobicContact CD2-CG2 4.05Å; T423-V474 WeakPolarHBondContact CA-O 3.46Å; Q424-V474 PolarHBondContact N-O 3.14Å; Q424-V474 PolarHBondContact O-N 3.37Å; F426-V474 HydrophobicContact CD2-CB 3.98Å; F426-V474 HydrophobicContact CD2-CG2 3.72Å; F426-V474 HydrophobicContact CE2-CB 4.04Å; F426-V474 HydrophobicContact CE2-CG2 4.23Å; I438-V474 HydrophobicContact CD1-CG2 3.95Å; I472-V474 HydrophobicContact CG2-CG2 4.19Å; I472-V474 PolarHBondContact O-N 3.18Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; V474-V486 HydrophobicContact CG1-CG1 3.89Å; V474-S487 CarbonylContact C-O 3.55Å; V474-S487 WeakPolarHBondContact CA-O 3.31Å; V474-A488 HydrophobicContact CG2-CB 4.2Å
475T95.2Very high91.1Very high11 Ų1138 Ų387%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-122.1126.5-177.9-62.20000110K421 Q422 T423 V486 S487K421-T475 HydrophobicContact CD-CG2 4.19Å; K421-T475 HydrophobicContact CG-CG2 3.78Å; Q422-T475 CarbonylContact O-C 3.59Å; Q422-T475 WeakPolarHBondContact O-CA 3.25Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.3Å; T423-T475 PolarHBondContact OG1-OG1 3.24Å; T475-V486 CarbonylContact O-C 3.51Å; T475-V486 VanDerWaalsContact O-CA 3.26Å; T475-V486 WeakPolarHBondContact O-CA 3.45Å; T475-S487 PolarHBondContact N-O 3.3Å; T475-S487 PolarHBondContact O-N 2.97Å
476F95.2Very high91.1Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-103.6127170.7-79.3-129.9000108L399 L401 L411 I412 K421 Q422 V440 V474 L484 V486L399-F476 HydrophobicContact CB-CD1 3.88Å; L399-F476 HydrophobicContact CB-CE1 3.99Å; L401-F476 HydrophobicContact CB-CZ 4.29Å; L401-F476 HydrophobicContact CD2-CE2 4.15Å; L411-F476 HydrophobicContact CB-CD2 4.35Å; L411-F476 HydrophobicContact CB-CG 4.28Å; L411-F476 HydrophobicContact CD1-CE2 4.45Å; L411-F476 HydrophobicContact CD2-CD2 3.54Å; L411-F476 HydrophobicContact CD2-CE2 3.9Å; L411-F476 HydrophobicContact CD2-CG 4.23Å; L411-F476 HydrophobicContact CG-CD2 4.42Å; I412-F476 HydrophobicContact CD1-CB 3.65Å; I412-F476 HydrophobicContact CG1-CB 4.14Å; K421-F476 CarbonylContact C-O 3.54Å; K421-F476 WeakPolarHBondContact CA-O 3.27Å; Q422-F476 PolarHBondContact N-O 3.38Å; Q422-F476 PolarHBondContact O-N 3.41Å; V440-F476 HydrophobicContact CB-CZ 4.44Å; V440-F476 HydrophobicContact CG1-CE1 3.58Å; V440-F476 HydrophobicContact CG1-CZ 3.67Å; V440-F476 HydrophobicContact CG2-CZ 4.09Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; F476-L484 HydrophobicContact CB-CD1 4.11Å; F476-L484 HydrophobicContact CD1-CD1 3.78Å; F476-L484 HydrophobicContact CD1-CD2 4.15Å; F476-L484 HydrophobicContact CE1-CD2 4.21Å; F476-L484 HydrophobicContact CG-CD1 4.24Å; F476-V486 HydrophobicContact CD1-CG2 3.88Å; F476-V486 HydrophobicContact CD2-CB 4.49Å; F476-V486 HydrophobicContact CD2-CG1 3.89Å; F476-V486 HydrophobicContact CD2-CG2 3.81Å; F476-V486 HydrophobicContact CE1-CG2 3.94Å; F476-V486 HydrophobicContact CE2-CB 4.45Å; F476-V486 HydrophobicContact CE2-CG1 3.62Å; F476-V486 HydrophobicContact CE2-CG2 3.87Å; F476-V486 HydrophobicContact CG-CG2 3.81Å; F476-V486 HydrophobicContact CZ-CG1 4.22Å; F476-V486 HydrophobicContact CZ-CG2 3.94Å
477D94Very high91Very high57 Ų5734.5 Ų34.531%0.30519%0.193SC..EExtended strand (participates in β ladder)trans-132.5110.6-176.6-175.86.6000109K421 N485K421-D477 HydrophobicContact CG-CB 4.25Å; D477-N485 HydrophobicContact CB-CB 4.27Å; D477-N485 PolarHBondContact N-O 2.87Å; D477-N485 PolarHBondContact O-N 3.26Å
478I91.3Very high91.1Very high5 Ų526.6 Ų26.63%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-103.2124177.4-54172.2000108.3A395 L399 I412 I418 P419 T420 L484A395-I478 HydrophobicContact CB-CD1 4.16Å; L399-I478 HydrophobicContact CD1-CD1 3.34Å; L399-I478 HydrophobicContact CD1-CG1 3.9Å; I412-I478 HydrophobicContact CB-CD1 4.44Å; I412-I478 HydrophobicContact CD1-CD1 3.5Å; I412-I478 VanDerWaalsContact CD1-CD1 3.5Å; I412-I478 HydrophobicContact CD1-CG1 3.63Å; I412-I478 HydrophobicContact CG2-CD1 3.88Å; I418-I478 HydrophobicContact CB-CG2 4.21Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.12Å; I418-I478 HydrophobicContact CG2-CD1 4.1Å; I418-I478 HydrophobicContact CG2-CG2 3.77Å; P419-I478 CarbonylContact C-O 3.5Å; P419-I478 WeakPolarHBondContact CA-O 3.25Å; P419-I478 VanDerWaalsContact CB-O 3.29Å; P419-I478 WeakPolarHBondContact CB-O 3.25Å; T420-I478 HydrophobicContact CG2-CB 4.48Å; T420-I478 HydrophobicContact CG2-CD1 4.29Å; T420-I478 PolarHBondContact N-O 3.41Å; T420-I478 PolarHBondContact O-N 3.39Å; I478-L484 HydrophobicContact CG1-CD1 3.91Å
479D90.9Very high91.3Very high45 Ų4526.1 Ų26.124%0.24115%0.152CC..  trans-82.5-179.1178.281.4-7.8000113.1N481 G482 I483D479-N481 PolarHBondContact O-N 2.73Å; D479-N481 WeakPolarHBondContact OD1-CA 3.34Å; D479-N481 WeakPolarHBondContact OD1-CB 3.49Å; D479-N481 PolarHBondContact OD1-N 3.07Å; D479-N481 PolarHBondContact OD2-ND2 3.01Å; D479-N481 VanDerWaalsContact OD2-ND2 3.07Å; D479-G482 PolarHBondContact O-N 3.25Å; D479-G482 PolarHBondContact OD1-N 3.2Å; D479-G482 VanDerWaalsContact OD1-N 3.12Å; D479-I483 PolarHBondContact N-O 2.77Å; D479-I483 PolarHBondContact OD1-N 3.36Å
480A90.3Very high91.2Very high44 Ų4422.2 Ų22.236%0.36413%0.128SC..THydrogen-bonded Turntrans-69.2-8.4178.800000114.3
481N87.2Confident91.2Very high22 Ų2226.7 Ų26.712%0.11815%0.146CC..THydrogen-bonded Turntrans-94-4.3172.9-59-65.6000112R153 R169 I170 D479 I483R153-N481 WeakPolarHBondContact CD-O 3.48Å; R153-N481 PolarHBondContact NH1-O 2.9Å; R169-N481 VanDerWaalsContact CA-OD1 3.31Å; R169-N481 WeakPolarHBondContact CA-OD1 3.33Å; I170-N481 HydrophobicContact CB-CB 4.25Å; I170-N481 PolarHBondContact N-OD1 3.33Å; D479-N481 PolarHBondContact O-N 2.73Å; D479-N481 WeakPolarHBondContact OD1-CA 3.34Å; D479-N481 WeakPolarHBondContact OD1-CB 3.49Å; D479-N481 PolarHBondContact OD1-N 3.07Å; D479-N481 PolarHBondContact OD2-ND2 3.01Å; D479-N481 VanDerWaalsContact OD2-ND2 3.07Å; N481-I483 HydrophobicContact CB-CD1 3.94Å; N481-I483 HydrophobicContact CB-CG1 3.99Å
482G86.1Confident90.8Very high14 Ų1425.5 Ų25.514%0.14416%0.159CC..  trans77.819.5-171.900000113.6D479D479-G482 PolarHBondContact O-N 3.25Å; D479-G482 PolarHBondContact OD1-N 3.2Å; D479-G482 VanDerWaalsContact OD1-N 3.12Å
483I86.7Confident90.3Very high8 Ų828.2 Ų28.24%0.04118%0.176CC..  trans-88.7124.1179.8-60.7170.6000109.5K157 D479 N481K157-I483 HydrophobicContact CD-CD1 4.36Å; D479-I483 PolarHBondContact N-O 2.77Å; D479-I483 PolarHBondContact OD1-N 3.36Å; N481-I483 HydrophobicContact CB-CD1 3.94Å; N481-I483 HydrophobicContact CB-CG1 3.99Å
484L87.5Confident89.5Confident3 Ų328 Ų282%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-86.2129.1-177.917761.8000112.3D150 L399 V440 L454 F476 I478 V486 I501D150-L484 HydrophobicContact CB-CB 4.38Å; L399-L484 HydrophobicContact CB-CD2 4.33Å; L399-L484 HydrophobicContact CD1-CB 4.46Å; L399-L484 HydrophobicContact CD1-CD1 4.05Å; L399-L484 HydrophobicContact CD1-CD2 3.84Å; L399-L484 HydrophobicContact CD1-CG 4.33Å; L399-L484 HydrophobicContact CD2-CD2 4.19Å; L399-L484 HydrophobicContact CG-CD2 4.34Å; V440-L484 HydrophobicContact CG1-CD2 3.98Å; L454-L484 HydrophobicContact CD1-CD2 4.01Å; F476-L484 HydrophobicContact CB-CD1 4.11Å; F476-L484 HydrophobicContact CD1-CD1 3.78Å; F476-L484 HydrophobicContact CD1-CD2 4.15Å; F476-L484 HydrophobicContact CE1-CD2 4.21Å; F476-L484 HydrophobicContact CG-CD1 4.24Å; I478-L484 HydrophobicContact CG1-CD1 3.91Å; L484-V486 HydrophobicContact CD1-CG2 3.87Å; L484-V486 HydrophobicContact CD2-CG2 4.07Å; L484-V486 HydrophobicContact CG-CG2 3.87Å; L484-I501 HydrophobicContact CD2-CD1 3.4Å; L484-I501 VanDerWaalsContact CD2-CD1 3.4Å; L484-I501 HydrophobicContact CG-CD1 3.78Å
485N89.2Confident88.6Confident30 Ų3033 Ų3316%0.1621%0.21CC..EExtended strand (participates in β ladder)trans-115.6134169.9-62.3-89.6000109.5D477 T500D477-N485 HydrophobicContact CB-CB 4.27Å; D477-N485 PolarHBondContact N-O 2.87Å; D477-N485 PolarHBondContact O-N 3.26Å; N485-T500 WeakPolarHBondContact OD1-CB 3.38Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.31Å; N485-T500 PolarHBondContact OD1-OG1 3.04Å
486V91.2Very high87.4Confident0 Ų039.1 Ų39.10%024%0.238CC..EExtended strand (participates in β ladder)trans-130.5109.4-178.7179.10000112.6V440 F457 V474 T475 F476 L484 I499 I501V440-V486 HydrophobicContact CG1-CG2 4.37Å; V440-V486 HydrophobicContact CG2-CB 4.25Å; V440-V486 HydrophobicContact CG2-CG1 3.98Å; V440-V486 HydrophobicContact CG2-CG2 4.17Å; F457-V486 HydrophobicContact CE1-CB 4.45Å; F457-V486 HydrophobicContact CE1-CG1 3.92Å; F457-V486 HydrophobicContact CZ-CG1 4.05Å; V474-V486 HydrophobicContact CG1-CG1 3.89Å; T475-V486 CarbonylContact O-C 3.51Å; T475-V486 VanDerWaalsContact O-CA 3.26Å; T475-V486 WeakPolarHBondContact O-CA 3.45Å; F476-V486 HydrophobicContact CD1-CG2 3.88Å; F476-V486 HydrophobicContact CD2-CB 4.49Å; F476-V486 HydrophobicContact CD2-CG1 3.89Å; F476-V486 HydrophobicContact CD2-CG2 3.81Å; F476-V486 HydrophobicContact CE1-CG2 3.94Å; F476-V486 HydrophobicContact CE2-CB 4.45Å; F476-V486 HydrophobicContact CE2-CG1 3.62Å; F476-V486 HydrophobicContact CE2-CG2 3.87Å; F476-V486 HydrophobicContact CG-CG2 3.81Å; F476-V486 HydrophobicContact CZ-CG1 4.22Å; F476-V486 HydrophobicContact CZ-CG2 3.94Å; L484-V486 HydrophobicContact CD1-CG2 3.87Å; L484-V486 HydrophobicContact CD2-CG2 4.07Å; L484-V486 HydrophobicContact CG-CG2 3.87Å; V486-I499 CarbonylContact C-O 3.43Å; V486-I499 PolarHBondContact N-O 3.07Å; V486-I499 VanDerWaalsContact N-O 3.12Å; V486-I499 CarbonylContact O-C 3.53Å; V486-I499 WeakPolarHBondContact O-CG2 3.39Å; V486-I499 PolarHBondContact O-N 2.81Å; V486-I501 HydrophobicContact CB-CD1 4.14Å; V486-I501 HydrophobicContact CB-CG1 3.88Å; V486-I501 HydrophobicContact CG2-CD1 3.56Å; V486-I501 HydrophobicContact CG2-CG1 3.8Å
487S92.3Very high85.9Confident29 Ų2942.2 Ų42.220%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-102.8146.9175.354.90000112.3V474 T475V474-S487 CarbonylContact C-O 3.55Å; V474-S487 WeakPolarHBondContact CA-O 3.31Å; T475-S487 PolarHBondContact N-O 3.3Å; T475-S487 PolarHBondContact O-N 2.97Å
488A91.4Very high84.3Confident0 Ų046 Ų460%027%0.269CS..EExtended strand (participates in β ladder)trans-124.1135.3168.600000111.2I438 F457 L459 I472 E473 V474 N497I438-A488 HydrophobicContact CG1-CB 4.11Å; F457-A488 HydrophobicContact CE2-CB 3.66Å; F457-A488 HydrophobicContact CZ-CB 3.87Å; L459-A488 HydrophobicContact CD2-CB 4.21Å; I472-A488 HydrophobicContact CG2-CB 4.21Å; E473-A488 CarbonylContact O-C 3.59Å; E473-A488 VanDerWaalsContact O-CA 3.31Å; E473-A488 WeakPolarHBondContact O-CA 3.48Å; V474-A488 HydrophobicContact CG2-CB 4.2Å; A488-N497 PolarHBondContact N-O 2.79Å; A488-N497 CarbonylContact O-C 3.35Å; A488-N497 PolarHBondContact O-N 3.41Å
489V92Very high82.6Confident29 Ų2947.1 Ų47.118%0.17627%0.274CS..EExtended strand (participates in β ladder)trans-132.4128-177.7-172.40000110.3I472 E473 K491 Q496I472-V489 CarbonylContact C-O 3.39Å; I472-V489 WeakPolarHBondContact CA-O 3.3Å; E473-V489 PolarHBondContact N-O 3.2Å; E473-V489 PolarHBondContact O-N 3.35Å; V489-K491 PolarHBondContact O-N 3.05Å; V489-Q496 HydrophobicContact CB-CB 4.31Å; V489-Q496 HydrophobicContact CG1-CB 4.09Å; V489-Q496 HydrophobicContact CG2-CB 3.65Å
490D90.9Very high81Confident4 Ų447.2 Ų47.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-78.8115166.9169.825.1000109.7L459 I472 G492 T493 G494 K495L459-D490 HydrophobicContact CD2-CB 4.36Å; I472-D490 HydrophobicContact CD1-CB 3.97Å; D490-G492 PolarHBondContact O-N 3.45Å; D490-G492 PolarHBondContact OD1-N 2.82Å; D490-T493 WeakPolarHBondContact OD2-CB 3.48Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.48Å; D490-T493 PolarHBondContact OD2-N 2.92Å; D490-T493 PolarHBondContact OD2-OG1 3.01Å; D490-G494 VanDerWaalsContact O-CA 3.32Å; D490-G494 WeakPolarHBondContact O-CA 3.23Å; D490-G494 PolarHBondContact O-N 2.84Å; D490-K495 PolarHBondContact N-O 3.43Å
491K89.7Confident79.3Confident107 Ų10745.2 Ų45.247%0.46526%0.26SS..THydrogen-bonded Turntrans-67.3-23-178.2-58.7-171.977.8138.70113.1Q471 E473 V489Q471-K491 HydrophobicContact CB-CB 4.18Å; Q471-K491 HydrophobicContact CB-CD 4.17Å; Q471-K491 HydrophobicContact CB-CG 4.27Å; Q471-K491 PolarHBondContact O-N 3.02Å; E473-K491 HydrophobicContact CB-CD 4.28Å; E473-K491 HydrophobicContact CB-CG 4.14Å; E473-K491 IonicContact OE2-NZ 3.65Å; E473-K491 PolarHBondContact OE2-NZ 3.27Å; V489-K491 PolarHBondContact O-N 3.05Å
492G84Confident77.5Confident71 Ų7146.4 Ų46.473%0.73227%0.268SS*.THydrogen-bonded Turntrans-75.1-43-179.400000112.9D490D490-G492 PolarHBondContact O-N 3.45Å; D490-G492 PolarHBondContact OD1-N 2.82Å
493T83.1Confident75.7Confident57 Ų5747.2 Ų47.235%0.3527%0.269SS..THydrogen-bonded Turntrans-99.1-15.1-17959.80000114.1P463 D490 K495P463-T493 HydrophobicContact CG-CG2 3.35Å; D490-T493 WeakPolarHBondContact OD2-CB 3.48Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.48Å; D490-T493 PolarHBondContact OD2-N 2.92Å; D490-T493 PolarHBondContact OD2-OG1 3.01Å; T493-K495 PolarHBondContact O-N 2.93Å; T493-K495 WeakPolarHBondContact OG1-CB 3.41Å; T493-K495 WeakPolarHBondContact OG1-CG 3.31Å; T493-K495 PolarHBondContact OG1-N 2.73Å
494G77.2Confident73.9Confident51 Ų5152.4 Ų52.453%0.52630%0.296SS..  trans68.73.6-168.900000113.4D490 Q496D490-G494 VanDerWaalsContact O-CA 3.32Å; D490-G494 WeakPolarHBondContact O-CA 3.23Å; D490-G494 PolarHBondContact O-N 2.84Å; G494-Q496 PolarHBondContact O-N 2.86Å
495K74.5Confident72.1Confident107 Ų10760.4 Ų60.447%0.46533%0.331SS..  trans-65.4120.5174.4-72.9-178.4-177.6175.50108.8G461 D490 T493G461-K495 PolarHBondContact O-NZ 2.98Å; D490-K495 PolarHBondContact N-O 3.43Å; T493-K495 PolarHBondContact O-N 2.93Å; T493-K495 WeakPolarHBondContact OG1-CB 3.41Å; T493-K495 WeakPolarHBondContact OG1-CG 3.31Å; T493-K495 PolarHBondContact OG1-N 2.73Å
496Q70.6Confident70.3Confident138 Ų13860.4 Ų60.465%0.64534%0.338SS*.EExtended strand (participates in β ladder)trans-107.8131.1173.160.7-179.712.100109.4V489 G494V489-Q496 HydrophobicContact CB-CB 4.31Å; V489-Q496 HydrophobicContact CG1-CB 4.09Å; V489-Q496 HydrophobicContact CG2-CB 3.65Å; G494-Q496 PolarHBondContact O-N 2.86Å
497N64.1Low69Low65 Ų6562.3 Ų62.335%0.34835%0.345SS..EExtended strand (participates in β ladder)trans-109.5109155.4-83-9.1000106.3E458 L459 A488E458-N497 PolarHBondContact O-ND2 2.96Å; L459-N497 HydrophobicContact CD1-CB 3.74Å; A488-N497 PolarHBondContact N-O 2.79Å; A488-N497 CarbonylContact O-C 3.35Å; A488-N497 PolarHBondContact O-N 3.41Å
498K60.7Low67.5Low138 Ų13861.6 Ų61.660%0.634%0.339SS*.EExtended strand (participates in β ladder)trans-89.5126.3167176.7173.8179.2-176.20107.5
499I55.4Low66.5Low28 Ų2863.7 Ų63.714%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-104.1126.4153.4-160.9152.2000105.4F457 V486 I501F457-I499 HydrophobicContact CB-CB 4.12Å; F457-I499 HydrophobicContact CB-CD1 3.54Å; F457-I499 HydrophobicContact CB-CG1 4.39Å; F457-I499 HydrophobicContact CB-CG2 4.13Å; F457-I499 HydrophobicContact CD1-CB 4.01Å; F457-I499 HydrophobicContact CD1-CD1 4.46Å; F457-I499 HydrophobicContact CD1-CG2 3.11Å; F457-I499 HydrophobicContact CD2-CB 4.19Å; F457-I499 HydrophobicContact CD2-CG2 3.99Å; F457-I499 HydrophobicContact CE1-CB 4.41Å; F457-I499 HydrophobicContact CE1-CG2 3.25Å; F457-I499 HydrophobicContact CE2-CG2 4.1Å; F457-I499 HydrophobicContact CG-CB 3.87Å; F457-I499 HydrophobicContact CG-CD1 4.2Å; F457-I499 HydrophobicContact CG-CG2 3.49Å; F457-I499 VanDerWaalsContact CG-CG2 3.49Å; F457-I499 HydrophobicContact CZ-CG2 3.75Å; V486-I499 CarbonylContact C-O 3.43Å; V486-I499 PolarHBondContact N-O 3.07Å; V486-I499 VanDerWaalsContact N-O 3.12Å; V486-I499 CarbonylContact O-C 3.53Å; V486-I499 WeakPolarHBondContact O-CG2 3.39Å; V486-I499 PolarHBondContact O-N 2.81Å; I499-I501 HydrophobicContact CG2-CG1 4.5Å
500T56.8Low65.6Low46 Ų4669.2 Ų69.228%0.28238%0.375SS..EExtended strand (participates in β ladder)trans-64.3130.6142.6-73.10000103.1N485 T502N485-T500 WeakPolarHBondContact OD1-CB 3.38Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.31Å; N485-T500 PolarHBondContact OD1-OG1 3.04Å; T500-T502 HydrophobicContact CG2-CG2 4.2Å; T500-T502 PolarHBondContact O-N 3.33Å; T500-T502 PolarHBondContact O-OG1 3.42Å
501I54.7Low65.1Low3 Ų375.1 Ų75.12%0.01540%0.403CS..  trans-58.489.9175.4-60-177.5000106.8V440 L454 L484 V486 I499 N503 R507V440-I501 HydrophobicContact CB-CD1 3.6Å; V440-I501 HydrophobicContact CG1-CD1 3.35Å; V440-I501 HydrophobicContact CG2-CD1 3.8Å; V440-I501 HydrophobicContact CG2-CG1 4.42Å; L454-I501 HydrophobicContact CB-CG2 4.36Å; L484-I501 HydrophobicContact CD2-CD1 3.4Å; L484-I501 VanDerWaalsContact CD2-CD1 3.4Å; L484-I501 HydrophobicContact CG-CD1 3.78Å; V486-I501 HydrophobicContact CB-CD1 4.14Å; V486-I501 HydrophobicContact CB-CG1 3.88Å; V486-I501 HydrophobicContact CG2-CD1 3.56Å; V486-I501 HydrophobicContact CG2-CG1 3.8Å; I499-I501 HydrophobicContact CG2-CG1 4.5Å; I501-N503 PolarHBondContact O-N 2.97Å; I501-R507 PolarHBondContact O-NH1 3.34Å
502T48.2Very low64.5Low47 Ų4772.1 Ų72.129%0.28839%0.391SS..  trans-90.399.6167.351.8000099.1T500 D504T500-T502 HydrophobicContact CG2-CG2 4.2Å; T500-T502 PolarHBondContact O-N 3.33Å; T500-T502 PolarHBondContact O-OG1 3.42Å; T502-D504 WeakPolarHBondContact CB-OD1 3.3Å; T502-D504 PolarHBondContact O-N 2.67Å; T502-D504 PolarHBondContact OG1-OD1 2.84Å
503N49.5Very low63.9Low31 Ų3170.3 Ų70.317%0.16636%0.364CS..  trans-61.577.3159-162.90.2000105.9S151 I501 K505 R507S151-N503 WeakPolarHBondContact OG-CB 3.38Å; S151-N503 PolarHBondContact OG-ND2 3.47Å; S151-N503 VanDerWaalsContact OG-ND2 3.08Å; I501-N503 PolarHBondContact O-N 2.97Å; N503-K505 PolarHBondContact O-N 2.79Å; N503-K505 VanDerWaalsContact O-N 3.09Å; N503-R507 WeakPolarHBondContact O-CG 3.36Å; N503-R507 PolarHBondContact O-N 2.86Å
504D48.4Very low63.7Low116 Ų11672.4 Ų72.462%0.6237%0.37SS*.THydrogen-bonded Turntrans-57.8-27.9-175.2-72.6-18.1000109.5T502 G506T502-D504 WeakPolarHBondContact CB-OD1 3.3Å; T502-D504 PolarHBondContact O-N 2.67Å; T502-D504 PolarHBondContact OG1-OD1 2.84Å; D504-G506 VanDerWaalsContact C-N 3.29Å; D504-G506 PolarHBondContact O-N 2.88Å
505K49.6Very low64.2Low171 Ų17176.4 Ų76.474%0.74337%0.369SS*.THydrogen-bonded Turntrans-80.574.8173-64.4-168.6178.5-170.30110.9N503N503-K505 PolarHBondContact O-N 2.79Å; N503-K505 VanDerWaalsContact O-N 3.09Å
506G51.7Low64.7Low30 Ų3071.4 Ų71.431%0.30935%0.347SS..THydrogen-bonded Turntrans146.9-38.3173.100000112.8D504D504-G506 VanDerWaalsContact C-N 3.29Å; D504-G506 PolarHBondContact O-N 2.88Å
507R63.6Low65.1Low41 Ų4166.9 Ų66.916%0.15533%0.329CS..SBendtrans-68.7149.5-177.5-71.2173.483.8151.7-5.5112.5K98 Q154 I501 N503K98-R507 WeakPolarHBondContact CE-O 3.09Å; K98-R507 PolarHBondContact NZ-O 3.31Å; Q154-R507 VanDerWaalsContact CG-CZ 3.44Å; I501-R507 PolarHBondContact O-NH1 3.34Å; N503-R507 WeakPolarHBondContact O-CG 3.36Å; N503-R507 PolarHBondContact O-N 2.86Å
508L61.7Low66.2Low14 Ų1466.4 Ų66.47%0.07333%0.334CS..PPolyproline II helixtrans-72.6130.6170.2-58174.5000109.1E115 D158 I162 E512 I513 M516E115-L508 HydrophobicContact CB-CD1 4.02Å; E115-L508 HydrophobicContact CG-CD1 4.16Å; D158-L508 HydrophobicContact CB-CD1 4.36Å; I162-L508 HydrophobicContact CD1-CD1 3.85Å; L508-E512 WeakPolarHBondContact CA-OE2 3.04Å; L508-E512 HydrophobicContact CB-CB 4.26Å; L508-E512 HydrophobicContact CD2-CB 4.38Å; L508-I513 HydrophobicContact CB-CD1 4.21Å; L508-I513 HydrophobicContact CB-CG1 3.59Å; L508-I513 HydrophobicContact CD1-CG1 4.16Å; L508-M516 HydrophobicContact CD1-CE 4.17Å; L508-M516 HydrophobicContact CD1-SD 3.39Å; L508-M516 WeakPolarHBondContact CD1-SD 3.49Å; L508-M516 HydrophobicContact CD2-CE 3.32Å; L508-M516 HydrophobicContact CD2-SD 3.72Å; L508-M516 HydrophobicContact CG-CE 4.36Å; L508-M516 HydrophobicContact CG-SD 4.15Å
509S70.6Confident67.4Low44 Ų4462.2 Ų62.231%0.30832%0.318SS..PPolyproline II helixtrans-66.3162.1167.391.80000109.5E511 E512 I513S509-E511 VanDerWaalsContact CB-OE2 3.27Å; S509-E511 WeakPolarHBondContact CB-OE2 3.31Å; S509-E511 PolarHBondContact O-N 3.04Å; S509-E511 PolarHBondContact OG-N 3.24Å; S509-E511 PolarHBondContact OG-OE2 3.38Å; S509-E512 PolarHBondContact N-OE2 3.34Å; S509-E512 PolarHBondContact O-N 3.47Å; S509-E512 PolarHBondContact OG-N 2.83Å; S509-I513 WeakPolarHBondContact O-CG1 3.19Å; S509-I513 PolarHBondContact O-N 3.17Å
510K72.9Confident68.6Low144 Ų14461.8 Ų61.863%0.62632%0.319SS*.Hα-helixtrans-58.4-39.2176-168-173.1178.3-1490111.2I513 E514K510-I513 PolarHBondContact O-N 3.44Å; K510-E514 WeakPolarHBondContact CE-OE1 3.33Å; K510-E514 IonicContact NZ-OE1 3.55Å; K510-E514 PolarHBondContact NZ-OE1 2.63Å; K510-E514 WeakPolarHBondContact O-CB 3.33Å; K510-E514 VanDerWaalsContact O-CG 3.29Å; K510-E514 WeakPolarHBondContact O-CG 3.5Å; K510-E514 PolarHBondContact O-N 2.79Å
511E79.5Confident69.8Low128 Ų12864.4 Ų64.460%0.59833%0.331SS*.Hα-helixtrans-67-36176.3-54.773-158.600111.9S509 R515S509-E511 VanDerWaalsContact CB-OE2 3.27Å; S509-E511 WeakPolarHBondContact CB-OE2 3.31Å; S509-E511 PolarHBondContact O-N 3.04Å; S509-E511 PolarHBondContact OG-N 3.24Å; S509-E511 PolarHBondContact OG-OE2 3.38Å; E511-R515 VanDerWaalsContact O-CB 3.29Å; E511-R515 WeakPolarHBondContact O-CB 3.39Å; E511-R515 PolarHBondContact O-N 3.48Å
512E76.7Confident71.3Confident45 Ų4569.6 Ų69.621%0.2135%0.354CS..Hα-helixtrans-68.5-41.3173.3-67.6177.5115.400111.6K98 L508 S509 R515 M516K98-E512 IonicContact NZ-OE1 2.71Å; K98-E512 PolarHBondContact NZ-OE1 2.76Å; K98-E512 IonicContact NZ-OE2 3.74Å; K98-E512 PolarHBondContact NZ-OE2 3.42Å; L508-E512 WeakPolarHBondContact CA-OE2 3.04Å; L508-E512 HydrophobicContact CB-CB 4.26Å; L508-E512 HydrophobicContact CD2-CB 4.38Å; S509-E512 PolarHBondContact N-OE2 3.34Å; S509-E512 PolarHBondContact O-N 3.47Å; S509-E512 PolarHBondContact OG-N 2.83Å; E512-R515 PolarHBondContact O-N 3.2Å; E512-R515 IonicContact OE1-NH2 2.87Å; E512-M516 WeakPolarHBondContact O-CB 3.45Å; E512-M516 WeakPolarHBondContact O-CG 3.22Å; E512-M516 PolarHBondContact O-N 2.8Å
513I71.5Confident73.1Confident32 Ų3268.5 Ų68.516%0.16434%0.344CS..Hα-helixtrans-61.8-48.6173.6-65171.3000109.6D158 I162 L508 S509 K510 R515 M516 V517D158-I513 HydrophobicContact CB-CD1 4.29Å; I162-I513 HydrophobicContact CG1-CG2 4.48Å; L508-I513 HydrophobicContact CB-CD1 4.21Å; L508-I513 HydrophobicContact CB-CG1 3.59Å; L508-I513 HydrophobicContact CD1-CG1 4.16Å; S509-I513 WeakPolarHBondContact O-CG1 3.19Å; S509-I513 PolarHBondContact O-N 3.17Å; K510-I513 PolarHBondContact O-N 3.44Å; I513-R515 VanDerWaalsContact C-N 3.31Å; I513-R515 PolarHBondContact O-N 3.32Å; I513-M516 CarbonylContact O-C 3.58Å; I513-M516 PolarHBondContact O-N 3.15Å; I513-M516 VanDerWaalsContact O-N 3.09Å; I513-V517 HydrophobicContact CG2-CG2 4.21Å; I513-V517 WeakPolarHBondContact O-CB 3.35Å; I513-V517 VanDerWaalsContact O-CG2 3.25Å; I513-V517 WeakPolarHBondContact O-CG2 3.47Å; I513-V517 PolarHBondContact O-N 3.4Å
514E80.6Confident74.6Confident102 Ų10270.6 Ų70.648%0.47735%0.352SS..Hα-helixtrans-60-41177.9-75172.4-171.400111.6K510 V517 A518K510-E514 WeakPolarHBondContact CE-OE1 3.33Å; K510-E514 IonicContact NZ-OE1 3.55Å; K510-E514 PolarHBondContact NZ-OE1 2.63Å; K510-E514 WeakPolarHBondContact O-CB 3.33Å; K510-E514 VanDerWaalsContact O-CG 3.29Å; K510-E514 WeakPolarHBondContact O-CG 3.5Å; K510-E514 PolarHBondContact O-N 2.79Å; E514-V517 PolarHBondContact O-N 3.07Å; E514-A518 WeakPolarHBondContact O-CB 3.44Å; E514-A518 PolarHBondContact O-N 3.11Å
515R87.8Confident76.4Confident134 Ų13467.6 Ų67.651%0.50634%0.343SS..Hα-helixtrans-63.8-43172.3-178.6-177.261.9-161.1-6.3111.9E511 E512 I513 A518 D519E511-R515 VanDerWaalsContact O-CB 3.29Å; E511-R515 WeakPolarHBondContact O-CB 3.39Å; E511-R515 PolarHBondContact O-N 3.48Å; E512-R515 PolarHBondContact O-N 3.2Å; E512-R515 IonicContact OE1-NH2 2.87Å; I513-R515 VanDerWaalsContact C-N 3.31Å; I513-R515 PolarHBondContact O-N 3.32Å; R515-A518 WeakPolarHBondContact O-CB 3.19Å; R515-A518 PolarHBondContact O-N 3.43Å; R515-D519 WeakPolarHBondContact O-CB 3.43Å; R515-D519 PolarHBondContact O-N 2.86Å
516M84.3Confident78.1Confident3 Ų361.9 Ų61.92%0.01532%0.319CS..Hα-helixtrans-68.4-34.5178.8-74.8175-178.300112.3E116 I162 L508 E512 I513 D519 A520E116-M516 VanDerWaalsContact CD-CE 3.49Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.87Å; E116-M516 HydrophobicContact CG-SD 3.52Å; E116-M516 VanDerWaalsContact CG-SD 3.52Å; E116-M516 VanDerWaalsContact OE2-CE 3.29Å; E116-M516 WeakPolarHBondContact OE2-CE 3.5Å; I162-M516 HydrophobicContact CD1-CB 3.96Å; I162-M516 HydrophobicContact CD1-CG 4.49Å; I162-M516 HydrophobicContact CD1-SD 3.76Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.18Å; L508-M516 HydrophobicContact CD1-CE 4.17Å; L508-M516 HydrophobicContact CD1-SD 3.39Å; L508-M516 WeakPolarHBondContact CD1-SD 3.49Å; L508-M516 HydrophobicContact CD2-CE 3.32Å; L508-M516 HydrophobicContact CD2-SD 3.72Å; L508-M516 HydrophobicContact CG-CE 4.36Å; L508-M516 HydrophobicContact CG-SD 4.15Å; E512-M516 WeakPolarHBondContact O-CB 3.45Å; E512-M516 WeakPolarHBondContact O-CG 3.22Å; E512-M516 PolarHBondContact O-N 2.8Å; I513-M516 CarbonylContact O-C 3.58Å; I513-M516 PolarHBondContact O-N 3.15Å; I513-M516 VanDerWaalsContact O-N 3.09Å; M516-D519 PolarHBondContact O-N 2.97Å; M516-A520 WeakPolarHBondContact O-CB 3.34Å; M516-A520 PolarHBondContact O-N 2.74Å
517V79.4Confident79.6Confident43 Ų4362.3 Ų62.326%0.26132%0.315SS..Hα-helixtrans-62.8-47.1170.1170.70000109.4I513 E514 D519 A520 D521I513-V517 HydrophobicContact CG2-CG2 4.21Å; I513-V517 WeakPolarHBondContact O-CB 3.35Å; I513-V517 VanDerWaalsContact O-CG2 3.25Å; I513-V517 WeakPolarHBondContact O-CG2 3.47Å; I513-V517 PolarHBondContact O-N 3.4Å; E514-V517 PolarHBondContact O-N 3.07Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.19Å; V517-A520 WeakPolarHBondContact O-CB 3.13Å; V517-A520 PolarHBondContact O-N 3.32Å; V517-D521 WeakPolarHBondContact O-CB 3.33Å; V517-D521 PolarHBondContact O-N 3.02Å
518A86.4Confident80.7Confident55 Ų5564.2 Ų64.246%0.45533%0.325SS..Hα-helixtrans-63-39.2176.400000112.6E514 R515 K522E514-A518 WeakPolarHBondContact O-CB 3.44Å; E514-A518 PolarHBondContact O-N 3.11Å; R515-A518 WeakPolarHBondContact O-CB 3.19Å; R515-A518 PolarHBondContact O-N 3.43Å; A518-K522 VanDerWaalsContact O-CB 3.29Å; A518-K522 WeakPolarHBondContact O-CB 3.17Å; A518-K522 PolarHBondContact O-N 3.49Å
519D86.2Confident82Confident50 Ų5069.2 Ų69.227%0.26735%0.346SS..Hα-helixtrans-67.3-40.2174.2-74.6-26000110.9R515 M516 V517 K522 Y523R515-D519 WeakPolarHBondContact O-CB 3.43Å; R515-D519 PolarHBondContact O-N 2.86Å; M516-D519 PolarHBondContact O-N 2.97Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.19Å; D519-K522 WeakPolarHBondContact O-CB 3.4Å; D519-K522 PolarHBondContact O-N 3.42Å; D519-Y523 HydrophobicContact CB-CD2 4.43Å; D519-Y523 HydrophobicContact CB-CE2 4.05Å; D519-Y523 WeakPolarHBondContact O-CD2 3.45Å; D519-Y523 VanDerWaalsContact O-CG 3.28Å; D519-Y523 PolarHBondContact O-N 2.82Å
520A80.4Confident82.6Confident19 Ų1968.3 Ų68.316%0.15734%0.337CS..Hα-helixtrans-62.8-44.6175.200000111.6I162 M516 V517 Y523 K524I162-A520 HydrophobicContact CG2-CB 3.96Å; M516-A520 WeakPolarHBondContact O-CB 3.34Å; M516-A520 PolarHBondContact O-N 2.74Å; V517-A520 WeakPolarHBondContact O-CB 3.13Å; V517-A520 PolarHBondContact O-N 3.32Å; A520-Y523 PolarHBondContact O-N 3.04Å; A520-K524 VanDerWaalsContact O-CB 3.28Å; A520-K524 WeakPolarHBondContact O-CB 3.24Å; A520-K524 PolarHBondContact O-N 3.22Å
521D81.6Confident83.1Confident101 Ų10168.8 Ų68.854%0.5434%0.335SS..Hα-helixtrans-63-42174-77.1-25.2000111.5V517 K524 A525V517-D521 WeakPolarHBondContact O-CB 3.33Å; V517-D521 PolarHBondContact O-N 3.02Å; D521-K524 PolarHBondContact O-N 3Å; D521-A525 WeakPolarHBondContact O-CB 3.29Å; D521-A525 PolarHBondContact O-N 2.73Å
522K87.7Confident83.6Confident112 Ų11265.7 Ų65.749%0.48732%0.323SS..Hα-helixtrans-59.7-50.9173.9175.9-173.8171.2-173.20111A518 D519 K524 A525 E526A518-K522 VanDerWaalsContact O-CB 3.29Å; A518-K522 WeakPolarHBondContact O-CB 3.17Å; A518-K522 PolarHBondContact O-N 3.49Å; D519-K522 WeakPolarHBondContact O-CB 3.4Å; D519-K522 PolarHBondContact O-N 3.42Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 2.54Å; K522-A525 PolarHBondContact O-N 3Å; K522-E526 WeakPolarHBondContact CE-OE1 3.45Å; K522-E526 WeakPolarHBondContact O-CG 3.38Å; K522-E526 PolarHBondContact O-N 3.38Å
523Y84.3Confident84.3Confident23 Ų2365 Ų659%0.0932%0.318CS..Hα-helixtrans-66.6-35.4-179.7-65.2-55.9000112Y105 F112 D519 A520 A525 E526 D527Y105-Y523 HydrophobicContact CD1-CE1 4.4Å; Y105-Y523 HydrophobicContact CE1-CD1 4.18Å; Y105-Y523 HydrophobicContact CE1-CE1 4.01Å; F112-Y523 AromaticContact CE1-CE2 3.88Å; F112-Y523 HydrophobicContact CE1-CE2 3.88Å; F112-Y523 HydrophobicContact CZ-CE2 4.45Å; D519-Y523 HydrophobicContact CB-CD2 4.43Å; D519-Y523 HydrophobicContact CB-CE2 4.05Å; D519-Y523 WeakPolarHBondContact O-CD2 3.45Å; D519-Y523 VanDerWaalsContact O-CG 3.28Å; D519-Y523 PolarHBondContact O-N 2.82Å; A520-Y523 PolarHBondContact O-N 3.04Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; Y523-E526 WeakPolarHBondContact O-CB 3.17Å; Y523-E526 PolarHBondContact O-N 2.93Å; Y523-D527 WeakPolarHBondContact O-CB 3.11Å; Y523-D527 PolarHBondContact O-N 3.09Å
524K81.2Confident85Confident75 Ų7565.8 Ų65.833%0.32632%0.324SS..Hα-helixtrans-58.9-46.6171.9-178.1-177.9178.1-179.40111A520 D521 K522 E526 D527 E528A520-K524 VanDerWaalsContact O-CB 3.28Å; A520-K524 WeakPolarHBondContact O-CB 3.24Å; A520-K524 PolarHBondContact O-N 3.22Å; D521-K524 PolarHBondContact O-N 3Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 2.54Å; K524-E526 VanDerWaalsContact C-N 3.3Å; K524-E526 PolarHBondContact O-N 3.29Å; K524-D527 PolarHBondContact O-N 3.17Å; K524-E528 VanDerWaalsContact CE-OE1 3.31Å; K524-E528 WeakPolarHBondContact CE-OE1 3.38Å; K524-E528 WeakPolarHBondContact O-CB 3.29Å; K524-E528 WeakPolarHBondContact O-CG 3.27Å; K524-E528 PolarHBondContact O-N 3.08Å
525A86.8Confident85.3Confident54 Ų5464.4 Ų64.445%0.44633%0.326SS..Hα-helixtrans-63.4-3617600000112.4D521 K522 Y523 K529D521-A525 WeakPolarHBondContact O-CB 3.29Å; D521-A525 PolarHBondContact O-N 2.73Å; K522-A525 PolarHBondContact O-N 3Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; A525-K529 WeakPolarHBondContact O-CB 3.24Å; A525-K529 PolarHBondContact O-N 3.34Å
526E85.9Confident85.5Confident51 Ų5158.6 Ų58.624%0.23831%0.306CS..Hα-helixtrans-64.7-43.2172.6-71.1-179-162.100112.2K106 K522 Y523 K524 K529 Q530K106-E526 IonicContact NZ-OE2 3.22Å; K106-E526 PolarHBondContact NZ-OE2 3.3Å; K522-E526 WeakPolarHBondContact CE-OE1 3.45Å; K522-E526 WeakPolarHBondContact O-CG 3.38Å; K522-E526 PolarHBondContact O-N 3.38Å; Y523-E526 WeakPolarHBondContact O-CB 3.17Å; Y523-E526 PolarHBondContact O-N 2.93Å; K524-E526 VanDerWaalsContact C-N 3.3Å; K524-E526 PolarHBondContact O-N 3.29Å; E526-K529 PolarHBondContact O-N 3.09Å; E526-Q530 WeakPolarHBondContact O-CB 3.17Å; E526-Q530 PolarHBondContact O-N 3.22Å
527D83.2Confident85.9Confident39 Ų3960 Ų6021%0.20931%0.313CS..Hα-helixtrans-66.1-39.7177.2-64.9-22.9000110.9R47 Y523 K524 Q530 R531R47-D527 IonicContact CZ-OD2 2.67Å; R47-D527 IonicContact NE-OD1 2.89Å; R47-D527 IonicContact NE-OD2 3.58Å; R47-D527 PolarHBondContact NE-OD2 3.38Å; R47-D527 IonicContact NH2-OD2 3.79Å; R47-D527 PolarHBondContact NH2-OD2 2.9Å; Y523-D527 WeakPolarHBondContact O-CB 3.11Å; Y523-D527 PolarHBondContact O-N 3.09Å; K524-D527 PolarHBondContact O-N 3.17Å; D527-Q530 PolarHBondContact O-N 3.01Å; D527-R531 WeakPolarHBondContact O-CB 3.4Å; D527-R531 PolarHBondContact O-N 2.96Å
528E85.8Confident86.4Confident81 Ų8161.6 Ų61.638%0.37932%0.319SS..Hα-helixtrans-63.2-44.7173-74.6178.417700111.8K524 Q530 R531 D532K524-E528 VanDerWaalsContact CE-OE1 3.31Å; K524-E528 WeakPolarHBondContact CE-OE1 3.38Å; K524-E528 WeakPolarHBondContact O-CB 3.29Å; K524-E528 WeakPolarHBondContact O-CG 3.27Å; K524-E528 PolarHBondContact O-N 3.08Å; E528-Q530 VanDerWaalsContact C-N 3.28Å; E528-Q530 PolarHBondContact O-N 3.02Å; E528-R531 PolarHBondContact O-N 2.8Å; E528-D532 WeakPolarHBondContact O-CB 3.28Å; E528-D532 PolarHBondContact O-N 2.93Å
529K88.6Confident86.7Confident118 Ų11861 Ų6151%0.51331%0.312SS..Hα-helixtrans-59-42.5174.5-173.2-168.7175.8-154.60110.9A525 E526 D532 R533 E585A525-K529 WeakPolarHBondContact O-CB 3.24Å; A525-K529 PolarHBondContact O-N 3.34Å; E526-K529 PolarHBondContact O-N 3.09Å; K529-D532 PolarHBondContact O-N 3.38Å; K529-R533 WeakPolarHBondContact O-CB 3.4Å; K529-R533 PolarHBondContact O-N 3.14Å; K529-E585 WeakPolarHBondContact CE-OE2 3.45Å; K529-E585 IonicContact NZ-OE1 2.94Å; K529-E585 IonicContact NZ-OE2 2.57Å; K529-E585 PolarHBondContact NZ-OE2 2.88Å
530Q84.5Confident87.1Confident26 Ų2658.6 Ų58.612%0.12130%0.299CS..Hα-helixtrans-65.9-44.1178.1179.568.9-9.200111.6E46 E526 D527 E528 D532 R533 V534E46-Q530 HydrophobicContact CB-CG 3.94Å; E526-Q530 WeakPolarHBondContact O-CB 3.17Å; E526-Q530 PolarHBondContact O-N 3.22Å; D527-Q530 PolarHBondContact O-N 3.01Å; E528-Q530 VanDerWaalsContact C-N 3.28Å; E528-Q530 PolarHBondContact O-N 3.02Å; Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.14Å; Q530-R533 WeakPolarHBondContact O-CB 3.34Å; Q530-R533 PolarHBondContact O-N 3.25Å; Q530-V534 WeakPolarHBondContact O-CG2 3.22Å; Q530-V534 PolarHBondContact O-N 3.09Å
531R83.7Confident87.7Confident154 Ų15460.8 Ų60.858%0.58131%0.306SS*.Hα-helixtrans-58.8-45.5175.2-176-17767.2-164.7-3.4111.3D527 E528 R533 V534 S535D527-R531 WeakPolarHBondContact O-CB 3.4Å; D527-R531 PolarHBondContact O-N 2.96Å; E528-R531 PolarHBondContact O-N 2.8Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 3.4Å; R531-V534 PolarHBondContact O-N 2.79Å; R531-S535 WeakPolarHBondContact O-CB 3.47Å; R531-S535 PolarHBondContact O-N 3.47Å
532D89.7Confident88.3Confident63 Ų6359.3 Ų59.334%0.33730%0.304SS..Hα-helixtrans-61.2-41.8176.3-89.922.6000112.4E528 K529 Q530 S535 A536 K586E528-D532 WeakPolarHBondContact O-CB 3.28Å; E528-D532 PolarHBondContact O-N 2.93Å; K529-D532 PolarHBondContact O-N 3.38Å; Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.14Å; D532-S535 PolarHBondContact O-N 3.43Å; D532-A536 WeakPolarHBondContact O-CB 3.36Å; D532-A536 PolarHBondContact O-N 3.07Å; D532-K586 HydrophobicContact CB-CD 4.14Å; D532-K586 IonicContact OD2-NZ 2.85Å; D532-K586 PolarHBondContact OD2-NZ 2.87Å
533R89.9Confident88.6Confident30 Ų3056.5 Ų56.511%0.11329%0.291CS..Hα-helixtrans-61.6-46.6175.4-175.5-167.777.877.75.3111.4K529 Q530 R531 S535 A536 K537 Q582 A584 K586 Y589K529-R533 WeakPolarHBondContact O-CB 3.4Å; K529-R533 PolarHBondContact O-N 3.14Å; Q530-R533 WeakPolarHBondContact O-CB 3.34Å; Q530-R533 PolarHBondContact O-N 3.25Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 3.4Å; R533-S535 VanDerWaalsContact C-N 3.34Å; R533-A536 PolarHBondContact O-N 2.96Å; R533-K537 PolarHBondContact O-N 2.71Å; R533-Q582 PolarHBondContact NH1-O 2.57Å; R533-A584 WeakPolarHBondContact CD-O 3.39Å; R533-A584 VanDerWaalsContact CG-O 3.32Å; R533-A584 WeakPolarHBondContact CG-O 3.07Å; R533-A584 PolarHBondContact NH1-O 2.98Å; R533-A584 VanDerWaalsContact NH1-O 3.17Å; R533-K586 HydrophobicContact CB-CB 4.46Å; R533-Y589 HydrophobicContact CG-CD2 4.35Å; R533-Y589 HydrophobicContact CG-CE2 3.99Å
534V86.3Confident89.1Confident48 Ų4855.4 Ų55.429%0.29129%0.286SS..Hα-helixtrans-64.2-40176.7173.40000110.8Q530 R531 K537 N538Q530-V534 WeakPolarHBondContact O-CG2 3.22Å; Q530-V534 PolarHBondContact O-N 3.09Å; R531-V534 PolarHBondContact O-N 2.79Å; V534-K537 WeakPolarHBondContact O-CB 3.36Å; V534-K537 PolarHBondContact O-N 2.98Å; V534-N538 WeakPolarHBondContact O-CB 3.46Å; V534-N538 PolarHBondContact O-N 3.13Å; V534-N538 PolarHBondContact O-OD1 3.2Å
535S88.1Confident89.7Confident74 Ų7457.4 Ų57.452%0.51729%0.293SS..Hα-helixtrans-61.6-44.3175-175.50000112.2R531 D532 R533 N538 S539R531-S535 WeakPolarHBondContact O-CB 3.47Å; R531-S535 PolarHBondContact O-N 3.47Å; D532-S535 PolarHBondContact O-N 3.43Å; R533-S535 VanDerWaalsContact C-N 3.34Å; S535-N538 PolarHBondContact O-N 2.74Å; S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.47Å; S535-S539 PolarHBondContact O-N 3.29Å
536A91.7Very high90Very high11 Ų1158 Ų589%0.09129%0.29CS..Hα-helixtrans-63.1-42.517600000112.2D532 R533 S539 L540 K586 E590D532-A536 WeakPolarHBondContact O-CB 3.36Å; D532-A536 PolarHBondContact O-N 3.07Å; R533-A536 PolarHBondContact O-N 2.96Å; A536-S539 PolarHBondContact O-N 3.3Å; A536-L540 PolarHBondContact O-N 2.99Å; A536-K586 HydrophobicContact CB-CG 3.92Å; A536-E590 HydrophobicContact CB-CG 4.29Å
537K91.7Very high90.3Very high33 Ų3356 Ų5614%0.14328%0.281CS..Hα-helixtrans-57.8-52.5172.9-177-170.2176-162.50111.5R533 V534 S539 L540 E541 L578 Y589R533-K537 PolarHBondContact O-N 2.71Å; V534-K537 WeakPolarHBondContact O-CB 3.36Å; V534-K537 PolarHBondContact O-N 2.98Å; K537-S539 VanDerWaalsContact C-N 3.27Å; K537-S539 PolarHBondContact O-N 2.88Å; K537-L540 WeakPolarHBondContact O-CB 3.44Å; K537-L540 PolarHBondContact O-N 3.33Å; K537-E541 WeakPolarHBondContact O-CB 3.43Å; K537-E541 PolarHBondContact O-N 3.09Å; K537-L578 HydrophobicContact CG-CD2 3.98Å; K537-Y589 HydrophobicContact CB-CD1 4.03Å; K537-Y589 HydrophobicContact CB-CD2 3.93Å; K537-Y589 HydrophobicContact CB-CE1 3.83Å; K537-Y589 HydrophobicContact CB-CE2 3.7Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.3Å; K537-Y589 HydrophobicContact CG-CD1 4.15Å; K537-Y589 HydrophobicContact CG-CE1 3.61Å; K537-Y589 HydrophobicContact CG-CE2 4.24Å
538N90.4Very high90.7Very high76 Ų7656.2 Ų56.241%0.40628%0.281SS..Hα-helixtrans-63.6-34.6-179.3-67.3-5.2000111.5V534 S535 S542V534-N538 WeakPolarHBondContact O-CB 3.46Å; V534-N538 PolarHBondContact O-N 3.13Å; V534-N538 PolarHBondContact O-OD1 3.2Å; S535-N538 PolarHBondContact O-N 2.74Å; N538-S542 WeakPolarHBondContact O-CB 3.03Å; N538-S542 PolarHBondContact O-N 3.23Å; N538-S542 PolarHBondContact O-OG 3.46Å
539S92.6Very high91Very high42 Ų4259.3 Ų59.329%0.29430%0.295SS..Hα-helixtrans-64.7-44.9174.11780000111.8S535 A536 K537 Y543 R593S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.47Å; S535-S539 PolarHBondContact O-N 3.29Å; A536-S539 PolarHBondContact O-N 3.3Å; K537-S539 VanDerWaalsContact C-N 3.27Å; K537-S539 PolarHBondContact O-N 2.88Å; S539-Y543 WeakPolarHBondContact O-CB 3.38Å; S539-Y543 PolarHBondContact O-N 3.44Å; S539-R593 PolarHBondContact OG-NH1 3.22Å
540L95.2Very high91.1Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-60.6-50.6174175.360.3000110.9A536 K537 S542 Y543 V544 T574 W577 L578 Y589 K592 R593A536-L540 PolarHBondContact O-N 2.99Å; K537-L540 WeakPolarHBondContact O-CB 3.44Å; K537-L540 PolarHBondContact O-N 3.33Å; L540-S542 PolarHBondContact O-N 3.38Å; L540-Y543 PolarHBondContact O-N 2.71Å; L540-V544 HydrophobicContact CD1-CG2 4.11Å; L540-V544 HydrophobicContact CG-CG2 4.43Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å; L540-V544 PolarHBondContact O-N 3.13Å; L540-T574 HydrophobicContact CD1-CG2 3.79Å; L540-T574 HydrophobicContact CD2-CG2 4.15Å; L540-T574 HydrophobicContact CG-CG2 4.09Å; L540-W577 HydrophobicContact CD2-CZ3 4.27Å; L540-L578 HydrophobicContact CD2-CD1 4.42Å; L540-L578 HydrophobicContact CD2-CD2 3.9Å; L540-L578 HydrophobicContact CD2-CG 4.16Å; L540-L578 HydrophobicContact CG-CD1 4.29Å; L540-L578 HydrophobicContact CG-CD2 4.44Å; L540-Y589 HydrophobicContact CD2-CD1 4.01Å; L540-K592 HydrophobicContact CD2-CB 3.8Å; L540-K592 HydrophobicContact CD2-CG 3.95Å; L540-R593 HydrophobicContact CD1-CB 3.78Å; L540-R593 HydrophobicContact CD1-CG 3.98Å
541E92.8Very high91.4Very high65 Ų6555.9 Ų55.930%0.30428%0.281SS..Hα-helixtrans-58.4-47.9179.7-174170-165.800111.6K537 Y543 V544 Y545 L578K537-E541 WeakPolarHBondContact O-CB 3.43Å; K537-E541 PolarHBondContact O-N 3.09Å; E541-Y543 VanDerWaalsContact C-N 3.34Å; E541-Y543 PolarHBondContact O-N 2.9Å; E541-V544 PolarHBondContact O-N 3.27Å; E541-Y545 HydrophobicContact CG-CD2 3.75Å; E541-Y545 HydrophobicContact CG-CE2 3.41Å; E541-Y545 VanDerWaalsContact CG-CE2 3.41Å; E541-Y545 WeakPolarHBondContact O-CD2 3.48Å; E541-Y545 PolarHBondContact O-N 3.23Å; E541-L578 HydrophobicContact CB-CD1 4Å; E541-L578 HydrophobicContact CG-CD1 4.35Å
542S93.5Very high91.6Very high71 Ų7152.6 Ų52.650%0.49727%0.272SS..Hα-helixtrans-61.2-41.1176.9-60.20000112.3N538 L540 T546N538-S542 WeakPolarHBondContact O-CB 3.03Å; N538-S542 PolarHBondContact O-N 3.23Å; N538-S542 PolarHBondContact O-OG 3.46Å; L540-S542 PolarHBondContact O-N 3.38Å; S542-T546 VanDerWaalsContact O-CB 3.29Å; S542-T546 WeakPolarHBondContact O-CB 3.42Å; S542-T546 PolarHBondContact O-N 3.46Å; S542-T546 PolarHBondContact O-OG1 2.91Å
543Y94.7Very high91.6Very high53 Ų5351.6 Ų51.621%0.20828%0.277CS..Hα-helixtrans-64.8-44.7177.7-179.3-109.3000111.7S539 L540 E541 Y545 T546 M547 R593 L596 E597S539-Y543 WeakPolarHBondContact O-CB 3.38Å; S539-Y543 PolarHBondContact O-N 3.44Å; L540-Y543 PolarHBondContact O-N 2.71Å; E541-Y543 VanDerWaalsContact C-N 3.34Å; E541-Y543 PolarHBondContact O-N 2.9Å; Y543-Y545 PolarHBondContact O-N 2.91Å; Y543-T546 PolarHBondContact O-N 2.85Å; Y543-M547 HydrophobicContact CE2-CE 3.99Å; Y543-M547 VanDerWaalsContact O-CB 3.28Å; Y543-M547 WeakPolarHBondContact O-CB 3.1Å; Y543-M547 PolarHBondContact O-N 3.37Å; Y543-M547 WeakPolarHBondContact OH-CE 3.13Å; Y543-R593 HydrophobicContact CD1-CG 4.16Å; Y543-R593 HydrophobicContact CG-CG 4.49Å; Y543-L596 HydrophobicContact CD1-CD2 3.66Å; Y543-L596 HydrophobicContact CD1-CG 4.12Å; Y543-L596 HydrophobicContact CE1-CB 4.21Å; Y543-L596 HydrophobicContact CE1-CD2 3.79Å; Y543-L596 HydrophobicContact CE1-CG 3.72Å; Y543-E597 HydrophobicContact CD1-CG 4.44Å; Y543-E597 HydrophobicContact CE1-CG 3.65Å; Y543-E597 HydrophobicContact CE2-CG 4.28Å; Y543-E597 WeakPolarHBondContact OH-CG 3.44Å
544V95.3Very high91.3Very high0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-57.8-49.8177.1173.20000111L540 E541 M547 K548 C571 T574 I575 L596L540-V544 HydrophobicContact CD1-CG2 4.11Å; L540-V544 HydrophobicContact CG-CG2 4.43Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å; L540-V544 PolarHBondContact O-N 3.13Å; E541-V544 PolarHBondContact O-N 3.27Å; V544-M547 PolarHBondContact O-N 3.37Å; V544-K548 WeakPolarHBondContact O-CB 3.47Å; V544-K548 PolarHBondContact O-N 3Å; V544-C571 HydrophobicContact CG1-CB 3.97Å; V544-T574 HydrophobicContact CG2-CG2 3.47Å; V544-T574 VanDerWaalsContact CG2-CG2 3.47Å; V544-I575 HydrophobicContact CG1-CD1 3.92Å; V544-I575 HydrophobicContact CG1-CG1 3.54Å; V544-L596 HydrophobicContact CB-CD2 4.29Å; V544-L596 HydrophobicContact CG2-CD2 3.42Å; V544-L596 VanDerWaalsContact CG2-CD2 3.42Å
545Y93.4Very high91.3Very high117 Ų11755.6 Ų55.646%0.45929%0.294SS..Hα-helixtrans-67.6-40.6179.9-73.2-59.9000112.7E541 Y543 M547 K548 Q549 I575E541-Y545 HydrophobicContact CG-CD2 3.75Å; E541-Y545 HydrophobicContact CG-CE2 3.41Å; E541-Y545 VanDerWaalsContact CG-CE2 3.41Å; E541-Y545 WeakPolarHBondContact O-CD2 3.48Å; E541-Y545 PolarHBondContact O-N 3.23Å; Y543-Y545 PolarHBondContact O-N 2.91Å; Y545-M547 PolarHBondContact O-N 2.94Å; Y545-K548 PolarHBondContact O-N 3.37Å; Y545-Q549 WeakPolarHBondContact O-CB 3.16Å; Y545-Q549 PolarHBondContact O-N 3.16Å; Y545-I575 HydrophobicContact CE1-CD1 4.06Å
546T92.9Very high91.2Very high65 Ų6557.4 Ų57.440%0.39929%0.292SS..Hα-helixtrans-61.2-45.1176-58.70000111S542 Y543 Q549 Q550S542-T546 VanDerWaalsContact O-CB 3.29Å; S542-T546 WeakPolarHBondContact O-CB 3.42Å; S542-T546 PolarHBondContact O-N 3.46Å; S542-T546 PolarHBondContact O-OG1 2.91Å; Y543-T546 PolarHBondContact O-N 2.85Å; T546-Q549 PolarHBondContact O-N 3.3Å; T546-Q550 HydrophobicContact CG2-CG 4.47Å; T546-Q550 WeakPolarHBondContact O-CG 3.48Å; T546-Q550 PolarHBondContact O-N 3.16Å
547M92.4Very high91Very high9 Ų966 Ų664%0.04433%0.33CS..Hα-helixtrans-64.9-44.1179.9-174.157.357.200111.5Y543 V544 Y545 Q549 Q550 V551 I567 C600 I604Y543-M547 HydrophobicContact CE2-CE 3.99Å; Y543-M547 VanDerWaalsContact O-CB 3.28Å; Y543-M547 WeakPolarHBondContact O-CB 3.1Å; Y543-M547 PolarHBondContact O-N 3.37Å; Y543-M547 WeakPolarHBondContact OH-CE 3.13Å; V544-M547 PolarHBondContact O-N 3.37Å; Y545-M547 PolarHBondContact O-N 2.94Å; M547-Q549 VanDerWaalsContact C-N 3.32Å; M547-Q549 PolarHBondContact O-N 3.42Å; M547-Q550 PolarHBondContact O-N 2.95Å; M547-V551 WeakPolarHBondContact O-CB 3.26Å; M547-V551 WeakPolarHBondContact O-CG2 3.24Å; M547-V551 PolarHBondContact O-N 3.21Å; M547-V551 HydrophobicContact SD-CG2 4.02Å; M547-I567 HydrophobicContact CG-CG2 3.57Å; M547-I567 HydrophobicContact SD-CG2 4.17Å; M547-C600 HydrophobicContact CE-CB 3.82Å; M547-C600 HydrophobicContact CG-CB 4.3Å; M547-C600 HydrophobicContact SD-CB 3.96Å; M547-I604 HydrophobicContact CE-CG1 4.38Å; M547-I604 HydrophobicContact SD-CD1 4.08Å; M547-I604 HydrophobicContact SD-CG1 4.16Å
548K91.2Very high90.8Very high45 Ų4571.1 Ų71.120%0.19635%0.353CS..Hα-helixtrans-59.2-45.5175.4-169.9166.6-176.1160.50110.8V544 Y545 Q550 V551 E552 E572V544-K548 WeakPolarHBondContact O-CB 3.47Å; V544-K548 PolarHBondContact O-N 3Å; Y545-K548 PolarHBondContact O-N 3.37Å; K548-Q550 PolarHBondContact O-N 2.67Å; K548-V551 PolarHBondContact O-N 3.42Å; K548-E552 WeakPolarHBondContact CE-OE1 3.32Å; K548-E552 WeakPolarHBondContact O-CB 3.49Å; K548-E552 WeakPolarHBondContact O-CG 3.29Å; K548-E552 PolarHBondContact O-N 3.09Å; K548-E572 IonicContact NZ-OE1 3.91Å; K548-E572 PolarHBondContact NZ-OE1 2.7Å
549Q92.5Very high90.6Very high146 Ų14668 Ų6868%0.68234%0.336SS*.Hα-helixtrans-62-43.6177-171.4-178.820.400112.9Y545 T546 M547 G553Y545-Q549 WeakPolarHBondContact O-CB 3.16Å; Y545-Q549 PolarHBondContact O-N 3.16Å; T546-Q549 PolarHBondContact O-N 3.3Å; M547-Q549 VanDerWaalsContact C-N 3.32Å; M547-Q549 PolarHBondContact O-N 3.42Å; Q549-G553 WeakPolarHBondContact O-CA 3.34Å; Q549-G553 PolarHBondContact O-N 2.86Å
550Q90.3Very high90.5Very high71 Ų7169.3 Ų69.333%0.33234%0.344SS..Hα-helixtrans-64-43.7179.6-76.7179.3-16.200112.5T546 M547 K548 G553 E554 L555T546-Q550 HydrophobicContact CG2-CG 4.47Å; T546-Q550 WeakPolarHBondContact O-CG 3.48Å; T546-Q550 PolarHBondContact O-N 3.16Å; M547-Q550 PolarHBondContact O-N 2.95Å; K548-Q550 PolarHBondContact O-N 2.67Å; Q550-G553 CarbonylContact O-C 3.59Å; Q550-G553 PolarHBondContact O-N 3.37Å; Q550-E554 PolarHBondContact O-N 3.45Å; Q550-L555 HydrophobicContact CB-CD1 4.2Å; Q550-L555 WeakPolarHBondContact O-CB 3.38Å; Q550-L555 PolarHBondContact O-N 3.13Å
551V90Very high90.2Very high0 Ų073.9 Ų73.90%037%0.365CS..Hα-helixtrans-75.5-27.7-177.4172.20000112.4M547 K548 K556 I559 R564 I567 I568 I604M547-V551 WeakPolarHBondContact O-CB 3.26Å; M547-V551 WeakPolarHBondContact O-CG2 3.24Å; M547-V551 PolarHBondContact O-N 3.21Å; M547-V551 HydrophobicContact SD-CG2 4.02Å; K548-V551 PolarHBondContact O-N 3.42Å; V551-K556 WeakPolarHBondContact O-CA 3.32Å; V551-I559 HydrophobicContact CG2-CD1 4.04Å; V551-R564 HydrophobicContact CG1-CB 4.06Å; V551-R564 HydrophobicContact CG1-CG 3.56Å; V551-R564 PolarHBondContact O-NE 3.48Å; V551-I567 HydrophobicContact CG2-CB 4.36Å; V551-I567 HydrophobicContact CG2-CD1 3.85Å; V551-I567 HydrophobicContact CG2-CG2 3.88Å; V551-I568 HydrophobicContact CG1-CD1 4.38Å; V551-I568 HydrophobicContact CG1-CG1 4.2Å; V551-I604 HydrophobicContact CG2-CD1 4.45Å
552E89.1Confident90.1Very high85 Ų8574.5 Ų74.540%0.39738%0.377SS..Hα-helixtrans-87.6-15.7173.1-67.5-179.9163.300113.3K548 I568K548-E552 WeakPolarHBondContact CE-OE1 3.32Å; K548-E552 WeakPolarHBondContact O-CB 3.49Å; K548-E552 WeakPolarHBondContact O-CG 3.29Å; K548-E552 PolarHBondContact O-N 3.09Å; E552-I568 HydrophobicContact CG-CD1 4.08Å
553G88.9Confident90Very high43 Ų4373.5 Ų73.544%0.44337%0.366SS..THydrogen-bonded Turntrans-106.3-113.2177.900000113.1Q549 Q550 L555 K556Q549-G553 WeakPolarHBondContact O-CA 3.34Å; Q549-G553 PolarHBondContact O-N 2.86Å; Q550-G553 CarbonylContact O-C 3.59Å; Q550-G553 PolarHBondContact O-N 3.37Å; G553-L555 PolarHBondContact O-N 3Å; G553-L555 VanDerWaalsContact O-N 3.14Å; G553-K556 WeakPolarHBondContact O-CB 3.49Å; G553-K556 PolarHBondContact O-N 3.39Å
554E85.2Confident89.8Confident157 Ų15772.6 Ų72.673%0.73436%0.362SS*.THydrogen-bonded Turntrans-58.6-29.4-168-62.6-175.9174.900115.2Q550Q550-E554 PolarHBondContact O-N 3.45Å
555L85.6Confident89.7Confident5 Ų577.7 Ų77.73%0.02639%0.386CS..THydrogen-bonded Turntrans-95.3-4.3-177.5-56.7179.6000112.8Q550 G553 E557 K558 I559 I604 V607Q550-L555 HydrophobicContact CB-CD1 4.2Å; Q550-L555 WeakPolarHBondContact O-CB 3.38Å; Q550-L555 PolarHBondContact O-N 3.13Å; G553-L555 PolarHBondContact O-N 3Å; G553-L555 VanDerWaalsContact O-N 3.14Å; L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 2.73Å; L555-K558 HydrophobicContact CD2-CD 4.32Å; L555-K558 PolarHBondContact O-N 2.93Å; L555-I559 HydrophobicContact CB-CD1 3.48Å; L555-I559 VanDerWaalsContact CB-CD1 3.48Å; L555-I559 HydrophobicContact CB-CG1 3.96Å; L555-I559 HydrophobicContact CD1-CD1 4.06Å; L555-I559 HydrophobicContact CG-CD1 4.39Å; L555-I559 WeakPolarHBondContact O-CG1 3.12Å; L555-I559 PolarHBondContact O-N 3.49Å; L555-I604 HydrophobicContact CD1-CD1 3.37Å; L555-V607 HydrophobicContact CD2-CG1 4.35Å
556K85.8Confident89.7Confident111 Ų11175.8 Ų75.848%0.48339%0.386SS..THydrogen-bonded Turntrans-54.6-40.9-176-175.6178.8179.7179.10113.1V551 G553V551-K556 WeakPolarHBondContact O-CA 3.32Å; G553-K556 WeakPolarHBondContact O-CB 3.49Å; G553-K556 PolarHBondContact O-N 3.39Å
557E86.5Confident89.7Confident191 Ų19172.7 Ų72.789%0.89337%0.367SS*.THydrogen-bonded Turntrans-88.8-11.8179.4-62.5-174.2170.600113.5L555L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 2.73Å
558K87.4Confident89.7Confident141 Ų14173 Ų7361%0.61337%0.369SS*.THydrogen-bonded Turntrans-99.8-16.7-175.7-60.3179.5-177.71710112.9L555 V607L555-K558 HydrophobicContact CD2-CD 4.32Å; L555-K558 PolarHBondContact O-N 2.93Å; K558-V607 HydrophobicContact CB-CG1 3.71Å
559I87.8Confident89.9Confident10 Ų1073.6 Ų73.65%0.05138%0.379CS..SBendtrans-103.3132.9179.3-62.9172.9000108.9V551 L555 E561 D563 R564 I603 I604 V607V551-I559 HydrophobicContact CG2-CD1 4.04Å; L555-I559 HydrophobicContact CB-CD1 3.48Å; L555-I559 VanDerWaalsContact CB-CD1 3.48Å; L555-I559 HydrophobicContact CB-CG1 3.96Å; L555-I559 HydrophobicContact CD1-CD1 4.06Å; L555-I559 HydrophobicContact CG-CD1 4.39Å; L555-I559 WeakPolarHBondContact O-CG1 3.12Å; L555-I559 PolarHBondContact O-N 3.49Å; I559-E561 PolarHBondContact O-N 2.93Å; I559-D563 HydrophobicContact CG2-CB 3.67Å; I559-R564 HydrophobicContact CG2-CB 3.98Å; I559-I603 HydrophobicContact CG2-CG2 4Å; I559-I604 HydrophobicContact CD1-CD1 3.97Å; I559-V607 HydrophobicContact CD1-CG2 4.49Å; I559-V607 HydrophobicContact CG1-CG1 4.48Å; I559-V607 HydrophobicContact CG1-CG2 3.57Å
560P89.4Confident90Very high70 Ų7068.9 Ų68.946%0.45536%0.356SS..  trans-55137.1169.9-23.933.8000111.6S562 D563 R564P560-S562 PolarHBondContact O-N 2.77Å; P560-D563 PolarHBondContact O-N 3.3Å; P560-R564 PolarHBondContact O-N 3.45Å
561E89Confident90.3Very high96 Ų9665.5 Ų65.545%0.44934%0.34SS..Hα-helixtrans-54.7-33.4-176-178.759.5-161.600112.8I559 R564 Q565I559-E561 PolarHBondContact O-N 2.93Å; E561-R564 PolarHBondContact O-N 2.74Å; E561-R564 IonicContact OE1-NH1 2.72Å; E561-R564 PolarHBondContact OE1-NH1 3.5Å; E561-R564 IonicContact OE2-CZ 3.98Å; E561-R564 IonicContact OE2-NH1 2.55Å; E561-R564 PolarHBondContact OE2-NH1 3.38Å; E561-Q565 HydrophobicContact CG-CG 4.39Å; E561-Q565 WeakPolarHBondContact O-CB 3.42Å; E561-Q565 VanDerWaalsContact O-CG 3.23Å; E561-Q565 WeakPolarHBondContact O-CG 3.32Å; E561-Q565 PolarHBondContact O-N 3.08Å; E561-Q565 PolarHBondContact OE1-NE2 3.15Å
562S90.9Very high90.5Very high79 Ų7969.8 Ų69.855%0.55236%0.36SS*.Hα-helixtrans-59.7-46.317456.60000112.9P560 V566P560-S562 PolarHBondContact O-N 2.77Å; S562-V566 VanDerWaalsContact O-CG2 3.32Å; S562-V566 WeakPolarHBondContact O-CG2 3.31Å; S562-V566 PolarHBondContact O-N 3.09Å
563D91.8Very high90.8Very high50 Ų5070 Ų7027%0.26736%0.364SS..Hα-helixtrans-71.9-36.2-178.8-72-0.3000110.4I559 P560 V566 I567 I603I559-D563 HydrophobicContact CG2-CB 3.67Å; P560-D563 PolarHBondContact O-N 3.3Å; D563-V566 PolarHBondContact O-N 3.11Å; D563-I567 PolarHBondContact O-N 3.01Å; D563-I567 VanDerWaalsContact O-N 3.13Å; D563-I603 HydrophobicContact CB-CD1 4.12Å; D563-I603 HydrophobicContact CB-CG1 4.35Å; D563-I603 HydrophobicContact CB-CG2 3.75Å
564R91.2Very high91.1Very high33 Ų3367.9 Ų67.913%0.12534%0.343CS..Hα-helixtrans-61.2-47.7174.3164.9162.7-178.3-80.4-14.2112.1V551 I559 P560 E561 V566 I567 I568V551-R564 HydrophobicContact CG1-CB 4.06Å; V551-R564 HydrophobicContact CG1-CG 3.56Å; V551-R564 PolarHBondContact O-NE 3.48Å; I559-R564 HydrophobicContact CG2-CB 3.98Å; P560-R564 PolarHBondContact O-N 3.45Å; E561-R564 PolarHBondContact O-N 2.74Å; E561-R564 IonicContact OE1-NH1 2.72Å; E561-R564 PolarHBondContact OE1-NH1 3.5Å; E561-R564 IonicContact OE2-CZ 3.98Å; E561-R564 IonicContact OE2-NH1 2.55Å; E561-R564 PolarHBondContact OE2-NH1 3.38Å; R564-V566 VanDerWaalsContact C-N 3.29Å; R564-V566 PolarHBondContact O-N 3.33Å; R564-I567 PolarHBondContact O-N 3.12Å; R564-I568 HydrophobicContact CG-CD1 3.95Å; R564-I568 WeakPolarHBondContact O-CG1 3.42Å; R564-I568 PolarHBondContact O-N 2.7Å
565Q92.3Very high91.6Very high107 Ų10761.9 Ų61.950%0.532%0.315SS..Hα-helixtrans-59.7-40.5176.7-73.4-78.2-2600111.8E561 I567 I568 S569E561-Q565 HydrophobicContact CG-CG 4.39Å; E561-Q565 WeakPolarHBondContact O-CB 3.42Å; E561-Q565 VanDerWaalsContact O-CG 3.23Å; E561-Q565 WeakPolarHBondContact O-CG 3.32Å; E561-Q565 PolarHBondContact O-N 3.08Å; E561-Q565 PolarHBondContact OE1-NE2 3.15Å; Q565-I567 PolarHBondContact O-N 3.36Å; Q565-I568 PolarHBondContact O-N 3.08Å; Q565-S569 WeakPolarHBondContact O-CB 3.33Å; Q565-S569 PolarHBondContact O-N 2.87Å
566V92.8Very high92Very high77 Ų7765 Ų6547%0.46734%0.337SS..Hα-helixtrans-60.6-44.1176.6169.70000111.6S562 D563 R564 K570 V599S562-V566 VanDerWaalsContact O-CG2 3.32Å; S562-V566 WeakPolarHBondContact O-CG2 3.31Å; S562-V566 PolarHBondContact O-N 3.09Å; D563-V566 PolarHBondContact O-N 3.11Å; R564-V566 VanDerWaalsContact C-N 3.29Å; R564-V566 PolarHBondContact O-N 3.33Å; V566-K570 WeakPolarHBondContact O-CB 3.37Å; V566-K570 PolarHBondContact O-N 3.42Å; V566-K570 VanDerWaalsContact O-N 3.13Å; V566-V599 HydrophobicContact CG1-CG1 3.7Å
567I93.4Very high92.5Very high0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-65.7-48.8178.2-65.3168.3000111.1M547 V551 D563 R564 Q565 S569 K570 C571 I603 I604M547-I567 HydrophobicContact CG-CG2 3.57Å; M547-I567 HydrophobicContact SD-CG2 4.17Å; V551-I567 HydrophobicContact CG2-CB 4.36Å; V551-I567 HydrophobicContact CG2-CD1 3.85Å; V551-I567 HydrophobicContact CG2-CG2 3.88Å; D563-I567 PolarHBondContact O-N 3.01Å; D563-I567 VanDerWaalsContact O-N 3.13Å; R564-I567 PolarHBondContact O-N 3.12Å; Q565-I567 PolarHBondContact O-N 3.36Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 2.82Å; I567-K570 PolarHBondContact O-N 2.62Å; I567-C571 PolarHBondContact O-N 2.78Å; I567-C571 PolarHBondContact O-SG 2.71Å; I567-I603 HydrophobicContact CD1-CB 4.11Å; I567-I603 HydrophobicContact CD1-CD1 3.99Å; I567-I603 HydrophobicContact CD1-CG2 3.78Å; I567-I603 HydrophobicContact CG1-CD1 3.79Å; I567-I604 HydrophobicContact CD1-CD1 4.44Å
568I93.5Very high92.8Very high15 Ų1553.4 Ų53.48%0.07728%0.283CS..Hα-helixtrans-59.6-46.7-178.1-68.7171.3000110.7V551 E552 R564 Q565 K570 C571 E572V551-I568 HydrophobicContact CG1-CD1 4.38Å; V551-I568 HydrophobicContact CG1-CG1 4.2Å; E552-I568 HydrophobicContact CG-CD1 4.08Å; R564-I568 HydrophobicContact CG-CD1 3.95Å; R564-I568 WeakPolarHBondContact O-CG1 3.42Å; R564-I568 PolarHBondContact O-N 2.7Å; Q565-I568 PolarHBondContact O-N 3.08Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 3.45Å; I568-C571 WeakPolarHBondContact O-CB 3.15Å; I568-C571 PolarHBondContact O-N 2.91Å; I568-E572 HydrophobicContact CG2-CG 4.49Å; I568-E572 WeakPolarHBondContact O-CG 3.34Å; I568-E572 PolarHBondContact O-N 2.87Å
569S94.6Very high93Very high59 Ų5951.9 Ų51.941%0.41328%0.282SS..Hα-helixtrans-58.8-44.5177.3175.30000111.6Q565 I567 C571 E572 D573Q565-S569 WeakPolarHBondContact O-CB 3.33Å; Q565-S569 PolarHBondContact O-N 2.87Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 2.82Å; S569-C571 VanDerWaalsContact C-N 3.34Å; S569-C571 PolarHBondContact O-N 2.85Å; S569-E572 PolarHBondContact O-N 2.78Å; S569-D573 VanDerWaalsContact O-CG 3.32Å; S569-D573 PolarHBondContact O-N 3.26Å
570K95.5Very high93.1Very high46 Ų4656.9 Ų56.920%0.231%0.313CS..Hα-helixtrans-67.2-34.3178.3-169.367.9-177.7179.40112.3V566 I567 I568 T574 E595 L596 V599V566-K570 WeakPolarHBondContact O-CB 3.37Å; V566-K570 PolarHBondContact O-N 3.42Å; V566-K570 VanDerWaalsContact O-N 3.13Å; I567-K570 PolarHBondContact O-N 2.62Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 3.45Å; K570-T574 WeakPolarHBondContact O-CB 3.39Å; K570-T574 PolarHBondContact O-N 3.17Å; K570-T574 VanDerWaalsContact O-N 3.12Å; K570-T574 PolarHBondContact O-OG1 2.99Å; K570-E595 IonicContact NZ-OE2 2.66Å; K570-E595 PolarHBondContact NZ-OE2 3.3Å; K570-L596 HydrophobicContact CB-CD1 3.93Å; K570-L596 HydrophobicContact CG-CD1 3.49Å; K570-L596 VanDerWaalsContact CG-CD1 3.49Å; K570-V599 HydrophobicContact CB-CG1 4.43Å; K570-V599 HydrophobicContact CD-CG2 4.39Å; K570-V599 HydrophobicContact CG-CB 4.38Å; K570-V599 HydrophobicContact CG-CG2 4.22Å
571C95.3Very high93.2Very high0 Ų056.9 Ų56.90%031%0.306CS..Hα-helixtrans-62.9-47.4171.9-74.20000111.1V544 I567 I568 S569 D573 T574 I575V544-C571 HydrophobicContact CG1-CB 3.97Å; I567-C571 PolarHBondContact O-N 2.78Å; I567-C571 PolarHBondContact O-SG 2.71Å; I568-C571 WeakPolarHBondContact O-CB 3.15Å; I568-C571 PolarHBondContact O-N 2.91Å; S569-C571 VanDerWaalsContact C-N 3.34Å; S569-C571 PolarHBondContact O-N 2.85Å; C571-D573 PolarHBondContact O-N 2.93Å; C571-T574 WeakPolarHBondContact O-CA 3.06Å; C571-T574 WeakPolarHBondContact O-CB 3.44Å; C571-T574 PolarHBondContact O-N 2.84Å; C571-I575 WeakPolarHBondContact O-CG1 3.31Å; C571-I575 PolarHBondContact O-N 3.24Å
572E95.3Very high93Very high90 Ų9056.4 Ų56.442%0.42130%0.304SS..Hα-helixtrans-64.4-39.8-180-71.6177170.800113K548 I568 S569 T574 I575 S576K548-E572 IonicContact NZ-OE1 3.91Å; K548-E572 PolarHBondContact NZ-OE1 2.7Å; I568-E572 HydrophobicContact CG2-CG 4.49Å; I568-E572 WeakPolarHBondContact O-CG 3.34Å; I568-E572 PolarHBondContact O-N 2.87Å; S569-E572 PolarHBondContact O-N 2.78Å; E572-T574 PolarHBondContact O-N 3.36Å; E572-I575 PolarHBondContact O-N 2.95Å; E572-S576 WeakPolarHBondContact O-CB 3.13Å; E572-S576 PolarHBondContact O-N 2.52Å; E572-S576 PolarHBondContact O-OG 3.22Å
573D95.3Very high92.7Very high89 Ų8957.6 Ų57.648%0.47631%0.312SS..Hα-helixtrans-59.6-38.3171.1-71.9-14.8000111.5S569 C571 W577S569-D573 VanDerWaalsContact O-CG 3.32Å; S569-D573 PolarHBondContact O-N 3.26Å; C571-D573 PolarHBondContact O-N 2.93Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.16Å; D573-W577 PolarHBondContact O-N 3.07Å
574T95.4Very high92.6Very high0 Ų055.6 Ų55.60%030%0.303CS..Hα-helixtrans-72.8-38.4-179.9-55.40000111.8L540 V544 K570 C571 E572 W577 L578 K592 L596L540-T574 HydrophobicContact CD1-CG2 3.79Å; L540-T574 HydrophobicContact CD2-CG2 4.15Å; L540-T574 HydrophobicContact CG-CG2 4.09Å; V544-T574 HydrophobicContact CG2-CG2 3.47Å; V544-T574 VanDerWaalsContact CG2-CG2 3.47Å; K570-T574 WeakPolarHBondContact O-CB 3.39Å; K570-T574 PolarHBondContact O-N 3.17Å; K570-T574 VanDerWaalsContact O-N 3.12Å; K570-T574 PolarHBondContact O-OG1 2.99Å; C571-T574 WeakPolarHBondContact O-CA 3.06Å; C571-T574 WeakPolarHBondContact O-CB 3.44Å; C571-T574 PolarHBondContact O-N 2.84Å; E572-T574 PolarHBondContact O-N 3.36Å; T574-W577 PolarHBondContact O-N 3.4Å; T574-L578 WeakPolarHBondContact O-CG 3.43Å; T574-L578 PolarHBondContact O-N 3.02Å; T574-K592 HydrophobicContact CG2-CG 3.99Å; T574-L596 HydrophobicContact CG2-CD2 4.47Å
575I94Very high92.6Very high30 Ų3057.6 Ų57.615%0.15431%0.313CS..Hα-helixtrans-62.2-50.1172.5-64.2172.7000110V544 Y545 C571 E572 W577 L578 D579V544-I575 HydrophobicContact CG1-CD1 3.92Å; V544-I575 HydrophobicContact CG1-CG1 3.54Å; Y545-I575 HydrophobicContact CE1-CD1 4.06Å; C571-I575 WeakPolarHBondContact O-CG1 3.31Å; C571-I575 PolarHBondContact O-N 3.24Å; E572-I575 PolarHBondContact O-N 2.95Å; I575-W577 PolarHBondContact O-N 3.37Å; I575-L578 WeakPolarHBondContact O-CB 3.23Å; I575-L578 PolarHBondContact O-N 3.44Å; I575-D579 PolarHBondContact O-N 2.93Å
576S94.6Very high92.6Very high70 Ų7055.9 Ų55.949%0.4931%0.305SS..Hα-helixtrans-59.4-37.3178.7-54.80000111.5E572 V580E572-S576 WeakPolarHBondContact O-CB 3.13Å; E572-S576 PolarHBondContact O-N 2.52Å; E572-S576 PolarHBondContact O-OG 3.22Å; S576-V580 PolarHBondContact O-N 3.19Å
577W95.6Very high92.7Very high51 Ų5158 Ų5819%0.19331%0.309CS..Hα-helixtrans-65.9-46.3174-176.190.2000111.8L540 D573 T574 I575 D579 V580 H581 A584 E588 Y589 K592L540-W577 HydrophobicContact CD2-CZ3 4.27Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.16Å; D573-W577 PolarHBondContact O-N 3.07Å; T574-W577 PolarHBondContact O-N 3.4Å; I575-W577 PolarHBondContact O-N 3.37Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.94Å; W577-V580 PolarHBondContact O-N 3.45Å; W577-H581 AromaticContact CD1-CE1 3.48Å; W577-H581 VanDerWaalsContact CD1-CE1 3.48Å; W577-H581 AromaticContact CD1-ND1 3.44Å; W577-H581 HydrophobicContact CD2-CB 4.1Å; W577-H581 AromaticContact CD2-ND1 3.79Å; W577-H581 AromaticContact CE2-CD2 3.96Å; W577-H581 AromaticContact CE2-CG 3.53Å; W577-H581 AromaticContact CE2-ND1 3.59Å; W577-H581 HydrophobicContact CE3-CB 4.2Å; W577-H581 AromaticContact CG-ND1 3.71Å; W577-H581 HydrophobicContact CH2-CB 3.83Å; W577-H581 HydrophobicContact CZ2-CB 3.71Å; W577-H581 AromaticContact CZ2-CG 3.74Å; W577-H581 HydrophobicContact CZ3-CB 4.06Å; W577-H581 AromaticContact NE1-CD2 3.82Å; W577-H581 AromaticContact NE1-CE1 3.38Å; W577-H581 PolarHBondContact NE1-CE1 2.89Å; W577-H581 AromaticContact NE1-CG 3.65Å; W577-H581 AromaticContact NE1-ND1 3.36Å; W577-H581 PolarHBondContact NE1-ND1 2.85Å; W577-H581 AromaticContact NE1-NE2 3.66Å; W577-H581 WeakPolarHBondContact O-CB 3.46Å; W577-H581 PolarHBondContact O-N 3.02Å; W577-H581 PolarHBondContact O-ND1 3.21Å; W577-A584 HydrophobicContact CH2-CB 3.8Å; W577-A584 HydrophobicContact CZ2-CB 4.3Å; W577-E588 HydrophobicContact CH2-CB 4.22Å; W577-E588 HydrophobicContact CZ2-CB 4.39Å; W577-Y589 HydrophobicContact CH2-CD1 4Å; W577-Y589 HydrophobicContact CH2-CE1 4.07Å; W577-Y589 AromaticContact CZ3-CD1 3.63Å; W577-Y589 HydrophobicContact CZ3-CD1 3.63Å; W577-Y589 AromaticContact CZ3-CE1 3.69Å; W577-Y589 HydrophobicContact CZ3-CE1 3.69Å; W577-K592 HydrophobicContact CD2-CD 4.13Å; W577-K592 HydrophobicContact CD2-CG 4.25Å; W577-K592 HydrophobicContact CE3-CD 4.42Å; W577-K592 HydrophobicContact CE3-CG 4.02Å; W577-K592 HydrophobicContact CG-CD 4.33Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å
578L93.2Very high92.8Very high8 Ų861.5 Ų61.54%0.04233%0.325CS..Hα-helixtrans-55.6-45.9176.5-83.9169.3000111.3K537 L540 E541 T574 I575 V580 H581 Q582 Y589K537-L578 HydrophobicContact CG-CD2 3.98Å; L540-L578 HydrophobicContact CD2-CD1 4.42Å; L540-L578 HydrophobicContact CD2-CD2 3.9Å; L540-L578 HydrophobicContact CD2-CG 4.16Å; L540-L578 HydrophobicContact CG-CD1 4.29Å; L540-L578 HydrophobicContact CG-CD2 4.44Å; E541-L578 HydrophobicContact CB-CD1 4Å; E541-L578 HydrophobicContact CG-CD1 4.35Å; T574-L578 WeakPolarHBondContact O-CG 3.43Å; T574-L578 PolarHBondContact O-N 3.02Å; I575-L578 WeakPolarHBondContact O-CB 3.23Å; I575-L578 PolarHBondContact O-N 3.44Å; L578-V580 VanDerWaalsContact C-N 3.25Å; L578-V580 PolarHBondContact O-N 3.43Å; L578-H581 PolarHBondContact O-N 2.93Å; L578-Q582 PolarHBondContact O-N 3.31Å; L578-Q582 PolarHBondContact O-NE2 3.06Å; L578-Y589 HydrophobicContact CD2-CD1 4.02Å; L578-Y589 HydrophobicContact CD2-CE1 3.74Å
579D91.4Very high92.9Very high109 Ų10960.8 Ų60.858%0.58332%0.322SS*.Hα-helixtrans-57.9-36.9-179.2-71.7-20.1000112.9I575 W577I575-D579 PolarHBondContact O-N 2.93Å; W577-D579 VanDerWaalsContact C-N 3.31Å; W577-D579 PolarHBondContact O-N 2.94Å
580V91.4Very high93Very high116 Ų11661.9 Ų61.970%0.70332%0.32SS*.Hα-helixtrans-85.1-30179.3179.80000112.3S576 W577 L578S576-V580 PolarHBondContact O-N 3.19Å; W577-V580 PolarHBondContact O-N 3.45Å; L578-V580 VanDerWaalsContact C-N 3.25Å; L578-V580 PolarHBondContact O-N 3.43Å
581H90.9Very high93Very high70 Ų7062.3 Ų62.332%0.32433%0.329SS..  trans-109.441.9-169.5-61.682000113.5W577 L578 S583 A584 Y589W577-H581 AromaticContact CD1-CE1 3.48Å; W577-H581 VanDerWaalsContact CD1-CE1 3.48Å; W577-H581 AromaticContact CD1-ND1 3.44Å; W577-H581 HydrophobicContact CD2-CB 4.1Å; W577-H581 AromaticContact CD2-ND1 3.79Å; W577-H581 AromaticContact CE2-CD2 3.96Å; W577-H581 AromaticContact CE2-CG 3.53Å; W577-H581 AromaticContact CE2-ND1 3.59Å; W577-H581 HydrophobicContact CE3-CB 4.2Å; W577-H581 AromaticContact CG-ND1 3.71Å; W577-H581 HydrophobicContact CH2-CB 3.83Å; W577-H581 HydrophobicContact CZ2-CB 3.71Å; W577-H581 AromaticContact CZ2-CG 3.74Å; W577-H581 HydrophobicContact CZ3-CB 4.06Å; W577-H581 AromaticContact NE1-CD2 3.82Å; W577-H581 AromaticContact NE1-CE1 3.38Å; W577-H581 PolarHBondContact NE1-CE1 2.89Å; W577-H581 AromaticContact NE1-CG 3.65Å; W577-H581 AromaticContact NE1-ND1 3.36Å; W577-H581 PolarHBondContact NE1-ND1 2.85Å; W577-H581 AromaticContact NE1-NE2 3.66Å; W577-H581 WeakPolarHBondContact O-CB 3.46Å; W577-H581 PolarHBondContact O-N 3.02Å; W577-H581 PolarHBondContact O-ND1 3.21Å; L578-H581 PolarHBondContact O-N 2.93Å; H581-S583 PolarHBondContact O-N 2.93Å; H581-S583 VanDerWaalsContact O-N 3.07Å; H581-A584 HydrophobicContact CB-CB 4.08Å; H581-A584 WeakPolarHBondContact O-CB 3.37Å; H581-A584 PolarHBondContact O-N 2.84Å; H581-Y589 PolarHBondContact O-OH 2.96Å
582Q85.6Confident93Very high86 Ų8663.9 Ų63.940%0.40234%0.336SS..THydrogen-bonded Turntrans-59.2-24-177.1-62.5-74.5-48.900114.1R533 L578 Y589R533-Q582 PolarHBondContact NH1-O 2.57Å; L578-Q582 PolarHBondContact O-N 3.31Å; L578-Q582 PolarHBondContact O-NE2 3.06Å; Q582-Y589 VanDerWaalsContact C-OH 3.28Å; Q582-Y589 PolarHBondContact O-OH 2.78Å
583S83.8Confident93Very high104 Ų10463.6 Ų63.673%0.72733%0.331SS*.THydrogen-bonded Turntrans-105.811.1179.855.60000114.4H581H581-S583 PolarHBondContact O-N 2.93Å; H581-S583 VanDerWaalsContact O-N 3.07Å
584A89.2Confident93.1Very high8 Ų864 Ų647%0.06633%0.33CS..  trans-59.2156.317600000112.5R533 W577 H581 E588 Y589R533-A584 WeakPolarHBondContact CD-O 3.39Å; R533-A584 VanDerWaalsContact CG-O 3.32Å; R533-A584 WeakPolarHBondContact CG-O 3.07Å; R533-A584 PolarHBondContact NH1-O 2.98Å; R533-A584 VanDerWaalsContact NH1-O 3.17Å; W577-A584 HydrophobicContact CH2-CB 3.8Å; W577-A584 HydrophobicContact CZ2-CB 4.3Å; H581-A584 HydrophobicContact CB-CB 4.08Å; H581-A584 WeakPolarHBondContact O-CB 3.37Å; H581-A584 PolarHBondContact O-N 2.84Å; A584-E588 WeakPolarHBondContact CA-OE2 3.4Å; A584-E588 HydrophobicContact CB-CB 4.08Å; A584-E588 WeakPolarHBondContact CB-OE2 3.19Å; A584-Y589 HydrophobicContact CB-CE1 4.22Å; A584-Y589 HydrophobicContact CB-CE2 4.13Å; A584-Y589 WeakPolarHBondContact O-CE2 3.47Å
585E91.1Very high93Very high74 Ų7467.4 Ų67.435%0.34635%0.346SS..  trans-75.6158.8178.6-69.6-74.5162.200111.9K529 H587 E588 Y589K529-E585 WeakPolarHBondContact CE-OE2 3.45Å; K529-E585 IonicContact NZ-OE1 2.94Å; K529-E585 IonicContact NZ-OE2 2.57Å; K529-E585 PolarHBondContact NZ-OE2 2.88Å; E585-H587 VanDerWaalsContact C-N 3.31Å; E585-H587 PolarHBondContact O-N 2.86Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.07Å; E585-E588 WeakPolarHBondContact O-CB 3.4Å; E585-E588 PolarHBondContact O-N 2.91Å; E585-Y589 WeakPolarHBondContact O-CD2 2.97Å; E585-Y589 PolarHBondContact O-N 2.81Å
586K92.5Very high93.1Very high72 Ų7266 Ų6631%0.31334%0.339SS..Hα-helixtrans-49.6-49.1-177.9-179.7-175.5-177.3170.60112.8D532 R533 A536 E588 Y589 E590D532-K586 HydrophobicContact CB-CD 4.14Å; D532-K586 IonicContact OD2-NZ 2.85Å; D532-K586 PolarHBondContact OD2-NZ 2.87Å; R533-K586 HydrophobicContact CB-CB 4.46Å; A536-K586 HydrophobicContact CB-CG 3.92Å; K586-E588 VanDerWaalsContact C-N 3.25Å; K586-E588 PolarHBondContact O-N 2.87Å; K586-Y589 PolarHBondContact O-N 2.89Å; K586-E590 WeakPolarHBondContact CE-OE1 3.47Å; K586-E590 HydrophobicContact CG-CG 4.47Å; K586-E590 WeakPolarHBondContact O-CG 3.45Å; K586-E590 PolarHBondContact O-N 3.13Å
587H95.2Very high93.1Very high121 Ų12165.5 Ų65.556%0.5633%0.329SS*.Hα-helixtrans-65.8-26.6-177.372.4-82000113.1E585 S591E585-H587 VanDerWaalsContact C-N 3.31Å; E585-H587 PolarHBondContact O-N 2.86Å; H587-S591 WeakPolarHBondContact O-CB 3.46Å; H587-S591 PolarHBondContact O-N 2.99Å
588E95.4Very high93.1Very high74 Ų7469.7 Ų69.735%0.34635%0.348SS..Hα-helixtrans-70.7-42.8175.5-61.4-179.490.400110.2W577 A584 E585 K586 K592W577-E588 HydrophobicContact CH2-CB 4.22Å; W577-E588 HydrophobicContact CZ2-CB 4.39Å; A584-E588 WeakPolarHBondContact CA-OE2 3.4Å; A584-E588 HydrophobicContact CB-CB 4.08Å; A584-E588 WeakPolarHBondContact CB-OE2 3.19Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.07Å; E585-E588 WeakPolarHBondContact O-CB 3.4Å; E585-E588 PolarHBondContact O-N 2.91Å; K586-E588 VanDerWaalsContact C-N 3.25Å; K586-E588 PolarHBondContact O-N 2.87Å; E588-K592 VanDerWaalsContact O-CB 3.28Å; E588-K592 WeakPolarHBondContact O-CB 3.42Å; E588-K592 PolarHBondContact O-N 2.96Å
589Y95.6Very high93Very high0 Ų071.3 Ų71.30%036%0.359CS..Hα-helixtrans-63.5-44.4173.2-65.7-60.1000112.3R533 K537 L540 W577 L578 H581 Q582 A584 E585 K586 K592 R593R533-Y589 HydrophobicContact CG-CD2 4.35Å; R533-Y589 HydrophobicContact CG-CE2 3.99Å; K537-Y589 HydrophobicContact CB-CD1 4.03Å; K537-Y589 HydrophobicContact CB-CD2 3.93Å; K537-Y589 HydrophobicContact CB-CE1 3.83Å; K537-Y589 HydrophobicContact CB-CE2 3.7Å; K537-Y589 HydrophobicContact CB-CG 4.09Å; K537-Y589 HydrophobicContact CD-CE1 4.3Å; K537-Y589 HydrophobicContact CG-CD1 4.15Å; K537-Y589 HydrophobicContact CG-CE1 3.61Å; K537-Y589 HydrophobicContact CG-CE2 4.24Å; L540-Y589 HydrophobicContact CD2-CD1 4.01Å; W577-Y589 HydrophobicContact CH2-CD1 4Å; W577-Y589 HydrophobicContact CH2-CE1 4.07Å; W577-Y589 AromaticContact CZ3-CD1 3.63Å; W577-Y589 HydrophobicContact CZ3-CD1 3.63Å; W577-Y589 AromaticContact CZ3-CE1 3.69Å; W577-Y589 HydrophobicContact CZ3-CE1 3.69Å; L578-Y589 HydrophobicContact CD2-CD1 4.02Å; L578-Y589 HydrophobicContact CD2-CE1 3.74Å; H581-Y589 PolarHBondContact O-OH 2.96Å; Q582-Y589 VanDerWaalsContact C-OH 3.28Å; Q582-Y589 PolarHBondContact O-OH 2.78Å; A584-Y589 HydrophobicContact CB-CE1 4.22Å; A584-Y589 HydrophobicContact CB-CE2 4.13Å; A584-Y589 WeakPolarHBondContact O-CE2 3.47Å; E585-Y589 WeakPolarHBondContact O-CD2 2.97Å; E585-Y589 PolarHBondContact O-N 2.81Å; K586-Y589 PolarHBondContact O-N 2.89Å; Y589-K592 PolarHBondContact O-N 2.88Å; Y589-R593 WeakPolarHBondContact O-CB 3.49Å; Y589-R593 PolarHBondContact O-N 3.26Å
590E95.9Very high93.1Very high81 Ų8166.1 Ų66.138%0.37933%0.331SS..Hα-helixtrans-63.4-46.2177.6-71.5173.5162.900111.3A536 K586 K592 R593 E594A536-E590 HydrophobicContact CB-CG 4.29Å; K586-E590 WeakPolarHBondContact CE-OE1 3.47Å; K586-E590 HydrophobicContact CG-CG 4.47Å; K586-E590 WeakPolarHBondContact O-CG 3.45Å; K586-E590 PolarHBondContact O-N 3.13Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 2.63Å; E590-R593 WeakPolarHBondContact O-CB 3.21Å; E590-R593 PolarHBondContact O-N 2.9Å; E590-R593 VanDerWaalsContact O-N 3.13Å; E590-E594 PolarHBondContact O-N 2.81Å
591S96.1Very high93Very high56 Ų5662.8 Ų62.839%0.39232%0.315SS..Hα-helixtrans-60-41.7174.8-1770000111.5H587 R593 E594 E595H587-S591 WeakPolarHBondContact O-CB 3.46Å; H587-S591 PolarHBondContact O-N 2.99Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 3.29Å; S591-E594 PolarHBondContact O-N 2.66Å; S591-E595 WeakPolarHBondContact O-CG 3.49Å; S591-E595 PolarHBondContact O-N 2.86Å
592K96.2Very high93Very high32 Ų3262.6 Ų62.614%0.13932%0.32CS..Hα-helixtrans-66.3-35.1177.2-161.973.5-169.7165.40112L540 T574 W577 E588 Y589 E590 E595 L596L540-K592 HydrophobicContact CD2-CB 3.8Å; L540-K592 HydrophobicContact CD2-CG 3.95Å; T574-K592 HydrophobicContact CG2-CG 3.99Å; W577-K592 HydrophobicContact CD2-CD 4.13Å; W577-K592 HydrophobicContact CD2-CG 4.25Å; W577-K592 HydrophobicContact CE3-CD 4.42Å; W577-K592 HydrophobicContact CE3-CG 4.02Å; W577-K592 HydrophobicContact CG-CD 4.33Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å; E588-K592 VanDerWaalsContact O-CB 3.28Å; E588-K592 WeakPolarHBondContact O-CB 3.42Å; E588-K592 PolarHBondContact O-N 2.96Å; Y589-K592 PolarHBondContact O-N 2.88Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 2.63Å; K592-E595 IonicContact NZ-OE2 2.78Å; K592-E595 PolarHBondContact NZ-OE2 2.97Å; K592-E595 PolarHBondContact O-N 2.87Å; K592-L596 PolarHBondContact O-N 3.46Å
593R95.7Very high93.1Very high85 Ų8559.4 Ų59.432%0.32131%0.306SS..Hα-helixtrans-64.6-47.4172.7-156.1-176.985.2-164.4-4111.2S539 L540 Y543 Y589 E590 S591 E595 L596 E597S539-R593 PolarHBondContact OG-NH1 3.22Å; L540-R593 HydrophobicContact CD1-CB 3.78Å; L540-R593 HydrophobicContact CD1-CG 3.98Å; Y543-R593 HydrophobicContact CD1-CG 4.16Å; Y543-R593 HydrophobicContact CG-CG 4.49Å; Y589-R593 WeakPolarHBondContact O-CB 3.49Å; Y589-R593 PolarHBondContact O-N 3.26Å; E590-R593 WeakPolarHBondContact O-CB 3.21Å; E590-R593 PolarHBondContact O-N 2.9Å; E590-R593 VanDerWaalsContact O-N 3.13Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 3.29Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 3.31Å; R593-L596 PolarHBondContact O-N 2.89Å; R593-L596 VanDerWaalsContact O-N 3.14Å; R593-E597 IonicContact CZ-OE1 3.64Å; R593-E597 IonicContact NE-OE1 3.8Å; R593-E597 PolarHBondContact NE-OE1 3.35Å; R593-E597 IonicContact NH2-OE1 2.83Å; R593-E597 PolarHBondContact NH2-OE1 3.03Å; R593-E597 WeakPolarHBondContact O-CB 3.44Å; R593-E597 WeakPolarHBondContact O-CG 3.35Å; R593-E597 PolarHBondContact O-N 3.06Å
594E95.7Very high93.2Very high96 Ų9655.4 Ų55.445%0.44928%0.276SS..Hα-helixtrans-60.7-39.2176.4-73-173.9-166.800112.6E590 S591 L596 E597 K598E590-E594 PolarHBondContact O-N 2.81Å; S591-E594 PolarHBondContact O-N 2.66Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 2.84Å; E594-E597 PolarHBondContact O-N 2.78Å; E594-K598 VanDerWaalsContact O-CB 3.31Å; E594-K598 WeakPolarHBondContact O-CB 3.31Å; E594-K598 WeakPolarHBondContact O-CD 3.49Å; E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 3.47Å; E594-K598 IonicContact OE2-NZ 3.89Å; E594-K598 PolarHBondContact OE2-NZ 3.49Å; E594-K598 VanDerWaalsContact OE2-NZ 3.16Å
595E95Very high93.1Very high73 Ų7358.2 Ų58.234%0.34129%0.292SS..Hα-helixtrans-59-43.1174.3-80.6-179.5-153.100111.9K570 S591 K592 R593K570-E595 IonicContact NZ-OE2 2.66Å; K570-E595 PolarHBondContact NZ-OE2 3.3Å; S591-E595 WeakPolarHBondContact O-CG 3.49Å; S591-E595 PolarHBondContact O-N 2.86Å; K592-E595 IonicContact NZ-OE2 2.78Å; K592-E595 PolarHBondContact NZ-OE2 2.97Å; K592-E595 PolarHBondContact O-N 2.87Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 3.31Å
596L95.2Very high92.8Very high0 Ų061.2 Ų61.20%030%0.304CS..Hα-helixtrans-70.1-45.2177.7-177.660.7000110.8Y543 V544 K570 T574 K592 R593 E594 K598 V599 C600Y543-L596 HydrophobicContact CD1-CD2 3.66Å; Y543-L596 HydrophobicContact CD1-CG 4.12Å; Y543-L596 HydrophobicContact CE1-CB 4.21Å; Y543-L596 HydrophobicContact CE1-CD2 3.79Å; Y543-L596 HydrophobicContact CE1-CG 3.72Å; V544-L596 HydrophobicContact CB-CD2 4.29Å; V544-L596 HydrophobicContact CG2-CD2 3.42Å; V544-L596 VanDerWaalsContact CG2-CD2 3.42Å; K570-L596 HydrophobicContact CB-CD1 3.93Å; K570-L596 HydrophobicContact CG-CD1 3.49Å; K570-L596 VanDerWaalsContact CG-CD1 3.49Å; T574-L596 HydrophobicContact CG2-CD2 4.47Å; K592-L596 PolarHBondContact O-N 3.46Å; R593-L596 PolarHBondContact O-N 2.89Å; R593-L596 VanDerWaalsContact O-N 3.14Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 2.84Å; L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 3.13Å; L596-V599 PolarHBondContact O-N 2.87Å; L596-C600 PolarHBondContact O-N 2.93Å; L596-C600 PolarHBondContact O-SG 2.78Å
597E94.8Very high92.3Very high59 Ų5958.9 Ų58.928%0.27630%0.296SS..Hα-helixtrans-58.3-40.3175.7-74.6173.2-171.700112.1Y543 R593 E594 V599 C600 A601Y543-E597 HydrophobicContact CD1-CG 4.44Å; Y543-E597 HydrophobicContact CE1-CG 3.65Å; Y543-E597 HydrophobicContact CE2-CG 4.28Å; Y543-E597 WeakPolarHBondContact OH-CG 3.44Å; R593-E597 IonicContact CZ-OE1 3.64Å; R593-E597 IonicContact NE-OE1 3.8Å; R593-E597 PolarHBondContact NE-OE1 3.35Å; R593-E597 IonicContact NH2-OE1 2.83Å; R593-E597 PolarHBondContact NH2-OE1 3.03Å; R593-E597 WeakPolarHBondContact O-CB 3.44Å; R593-E597 WeakPolarHBondContact O-CG 3.35Å; R593-E597 PolarHBondContact O-N 3.06Å; E594-E597 PolarHBondContact O-N 2.78Å; E597-V599 PolarHBondContact O-N 2.77Å; E597-C600 PolarHBondContact O-N 3.02Å; E597-A601 WeakPolarHBondContact O-CB 3.16Å; E597-A601 PolarHBondContact O-N 2.9Å
598K94.8Very high91.5Very high139 Ų13960.1 Ų60.160%0.60430%0.297SS*.Hα-helixtrans-61.6-29176.7-78.7164.7-172.1153.40112.8E594 L596 P602E594-K598 VanDerWaalsContact O-CB 3.31Å; E594-K598 WeakPolarHBondContact O-CB 3.31Å; E594-K598 WeakPolarHBondContact O-CD 3.49Å; E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 3.47Å; E594-K598 IonicContact OE2-NZ 3.89Å; E594-K598 PolarHBondContact OE2-NZ 3.49Å; E594-K598 VanDerWaalsContact OE2-NZ 3.16Å; L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 3.13Å; K598-P602 VanDerWaalsContact O-CD 3.3Å; K598-P602 WeakPolarHBondContact O-CD 3.08Å; K598-P602 WeakPolarHBondContact O-CG 3.28Å
599V92.7Very high90.6Very high43 Ų4363.4 Ų63.426%0.26131%0.312SS..Hα-helixtrans-83.7-47.5175.1176.80000110.6V566 K570 L596 E597 I603V566-V599 HydrophobicContact CG1-CG1 3.7Å; K570-V599 HydrophobicContact CB-CG1 4.43Å; K570-V599 HydrophobicContact CD-CG2 4.39Å; K570-V599 HydrophobicContact CG-CB 4.38Å; K570-V599 HydrophobicContact CG-CG2 4.22Å; L596-V599 PolarHBondContact O-N 2.87Å; E597-V599 PolarHBondContact O-N 2.77Å; V599-I603 WeakPolarHBondContact O-CD1 3.4Å
600C91.6Very high89.2Confident0 Ų067.7 Ų67.70%035%0.348CS..Hα-helixtrans-75.7-46.2-172.7-61.90000113M547 L596 E597 I603 I604M547-C600 HydrophobicContact CE-CB 3.82Å; M547-C600 HydrophobicContact CG-CB 4.3Å; M547-C600 HydrophobicContact SD-CB 3.96Å; L596-C600 PolarHBondContact O-N 2.93Å; L596-C600 PolarHBondContact O-SG 2.78Å; E597-C600 PolarHBondContact O-N 3.02Å; C600-I603 PolarHBondContact O-N 2.82Å; C600-I604 VanDerWaalsContact O-CG1 3.24Å; C600-I604 WeakPolarHBondContact O-CG1 3.29Å; C600-I604 PolarHBondContact O-N 2.9Å
601A90.3Very high87.3Confident45 Ų4566.4 Ų66.437%0.37236%0.356SS..Hα-helixtrans-59.8-42.2-170.300000114.3E597 I603 I604 T605E597-A601 WeakPolarHBondContact O-CB 3.16Å; E597-A601 PolarHBondContact O-N 2.9Å; A601-I603 VanDerWaalsContact C-N 3.35Å; A601-I603 PolarHBondContact O-N 2.99Å; A601-I604 PolarHBondContact O-N 3.32Å; A601-T605 WeakPolarHBondContact O-CB 3.29Å; A601-T605 PolarHBondContact O-N 3.38Å; A601-T605 PolarHBondContact O-OG1 2.81Å
602P90.2Very high84.6Confident67 Ų6766.4 Ų66.444%0.43537%0.365SS..Hα-helixtrans-65.3-36.7177.5-22.534.6000113.2K598 K606K598-P602 VanDerWaalsContact O-CD 3.3Å; K598-P602 WeakPolarHBondContact O-CD 3.08Å; K598-P602 WeakPolarHBondContact O-CG 3.28Å; P602-K606 WeakPolarHBondContact O-CB 3.45Å; P602-K606 VanDerWaalsContact O-CG 3.29Å; P602-K606 WeakPolarHBondContact O-CG 3.35Å; P602-K606 PolarHBondContact O-N 3.16Å; P602-K606 VanDerWaalsContact O-N 3.1Å
603I87.6Confident81.4Confident18 Ų1873.1 Ų73.19%0.09240%0.399CS..Hα-helixtrans-67.6-50.9178.4-64169.9000109.2I559 D563 I567 V599 C600 A601 T605 K606 V607I559-I603 HydrophobicContact CG2-CG2 4Å; D563-I603 HydrophobicContact CB-CD1 4.12Å; D563-I603 HydrophobicContact CB-CG1 4.35Å; D563-I603 HydrophobicContact CB-CG2 3.75Å; I567-I603 HydrophobicContact CD1-CB 4.11Å; I567-I603 HydrophobicContact CD1-CD1 3.99Å; I567-I603 HydrophobicContact CD1-CG2 3.78Å; I567-I603 HydrophobicContact CG1-CD1 3.79Å; V599-I603 WeakPolarHBondContact O-CD1 3.4Å; C600-I603 PolarHBondContact O-N 2.82Å; A601-I603 VanDerWaalsContact C-N 3.35Å; A601-I603 PolarHBondContact O-N 2.99Å; I603-T605 PolarHBondContact O-N 2.78Å; I603-K606 PolarHBondContact O-N 2.61Å; I603-V607 WeakPolarHBondContact O-CG2 3.29Å; I603-V607 PolarHBondContact O-N 3.13Å; I603-V607 VanDerWaalsContact O-N 3.17Å
604I85.9Confident78.4Confident21 Ų2175 Ų7511%0.10842%0.422CS..Hα-helixtrans-63.1-42.8-179.7-61.1-68000110.9M547 V551 L555 I559 I567 C600 A601 K606 V607 Y608M547-I604 HydrophobicContact CE-CG1 4.38Å; M547-I604 HydrophobicContact SD-CD1 4.08Å; M547-I604 HydrophobicContact SD-CG1 4.16Å; V551-I604 HydrophobicContact CG2-CD1 4.45Å; L555-I604 HydrophobicContact CD1-CD1 3.37Å; I559-I604 HydrophobicContact CD1-CD1 3.97Å; I567-I604 HydrophobicContact CD1-CD1 4.44Å; C600-I604 VanDerWaalsContact O-CG1 3.24Å; C600-I604 WeakPolarHBondContact O-CG1 3.29Å; C600-I604 PolarHBondContact O-N 2.9Å; A601-I604 PolarHBondContact O-N 3.32Å; I604-K606 PolarHBondContact O-N 3.11Å; I604-V607 WeakPolarHBondContact O-CB 3.32Å; I604-V607 PolarHBondContact O-N 2.77Å; I604-V607 VanDerWaalsContact O-N 3.15Å; I604-Y608 HydrophobicContact CG2-CD2 3.72Å; I604-Y608 HydrophobicContact CG2-CE2 3.54Å; I604-Y608 VanDerWaalsContact O-CD2 3.26Å; I604-Y608 WeakPolarHBondContact O-CD2 3.29Å; I604-Y608 PolarHBondContact O-N 2.94Å; I604-Y608 VanDerWaalsContact O-N 3.07Å
605T87.4Confident75.2Confident66 Ų6673.9 Ų73.941%0.40544%0.436SS..Hα-helixtrans-61.7-42.1177.6-58.80000111.7A601 I603 V607 Y608 Q609A601-T605 WeakPolarHBondContact O-CB 3.29Å; A601-T605 PolarHBondContact O-N 3.38Å; A601-T605 PolarHBondContact O-OG1 2.81Å; I603-T605 PolarHBondContact O-N 2.78Å; T605-V607 VanDerWaalsContact C-N 3.28Å; T605-V607 PolarHBondContact O-N 3.4Å; T605-Y608 PolarHBondContact O-N 3.33Å; T605-Q609 HydrophobicContact CG2-CG 4.1Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.48Å; T605-Q609 PolarHBondContact O-N 3.47Å
606K85Confident72Confident137 Ų13774 Ų7460%0.59646%0.457SS*.Hα-helixtrans-60.7-38175.4-79.2175.1-178178.30112.1P602 I603 I604 Q609 A610P602-K606 WeakPolarHBondContact O-CB 3.45Å; P602-K606 VanDerWaalsContact O-CG 3.29Å; P602-K606 WeakPolarHBondContact O-CG 3.35Å; P602-K606 PolarHBondContact O-N 3.16Å; P602-K606 VanDerWaalsContact O-N 3.1Å; I603-K606 PolarHBondContact O-N 2.61Å; I604-K606 PolarHBondContact O-N 3.11Å; K606-Q609 PolarHBondContact O-N 3Å; K606-A610 WeakPolarHBondContact O-CB 3.38Å; K606-A610 PolarHBondContact O-N 3.43Å
607V81.5Confident68.7Low23 Ų2382.3 Ų82.314%0.13950%0.498CS..Hα-helixtrans-66.3-43.4178.8177.80000110.6L555 K558 I559 I603 I604 T605 G611L555-V607 HydrophobicContact CD2-CG1 4.35Å; K558-V607 HydrophobicContact CB-CG1 3.71Å; I559-V607 HydrophobicContact CD1-CG2 4.49Å; I559-V607 HydrophobicContact CG1-CG1 4.48Å; I559-V607 HydrophobicContact CG1-CG2 3.57Å; I603-V607 WeakPolarHBondContact O-CG2 3.29Å; I603-V607 PolarHBondContact O-N 3.13Å; I603-V607 VanDerWaalsContact O-N 3.17Å; I604-V607 WeakPolarHBondContact O-CB 3.32Å; I604-V607 PolarHBondContact O-N 2.77Å; I604-V607 VanDerWaalsContact O-N 3.15Å; T605-V607 VanDerWaalsContact C-N 3.28Å; T605-V607 PolarHBondContact O-N 3.4Å; V607-G611 PolarHBondContact O-N 3.34Å; V607-G611 VanDerWaalsContact O-N 3.16Å
608Y79.6Confident65.5Low147 Ų14787.3 Ų87.358%0.57652%0.521SS*.Hα-helixtrans-70.5-37.2175.7-76.8-72.4000113.2I604 T605 G611 G612I604-Y608 HydrophobicContact CG2-CD2 3.72Å; I604-Y608 HydrophobicContact CG2-CE2 3.54Å; I604-Y608 VanDerWaalsContact O-CD2 3.26Å; I604-Y608 WeakPolarHBondContact O-CD2 3.29Å; I604-Y608 PolarHBondContact O-N 2.94Å; I604-Y608 VanDerWaalsContact O-N 3.07Å; T605-Y608 PolarHBondContact O-N 3.33Å; Y608-G611 CarbonylContact O-C 3.49Å; Y608-G611 WeakPolarHBondContact O-CA 3.48Å; Y608-G611 PolarHBondContact O-N 3.32Å; Y608-G612 PolarHBondContact O-N 3.44Å
609Q77Confident62.2Low143 Ų14388.8 Ų88.867%0.66853%0.53SS*.Hα-helixtrans-72.7-36.7177.4-75-179.3-12.800112.9T605 K606 G611 G612T605-Q609 HydrophobicContact CG2-CG 4.1Å; T605-Q609 WeakPolarHBondContact O-CB 3.21Å; T605-Q609 WeakPolarHBondContact O-CG 3.48Å; T605-Q609 PolarHBondContact O-N 3.47Å; K606-Q609 PolarHBondContact O-N 3Å; Q609-G611 PolarHBondContact O-N 3.39Å; Q609-G612 PolarHBondContact O-N 2.88Å
610A64.9Low59Low91 Ų9191.3 Ų91.375%0.75256%0.556SS**Hα-helixtrans-65.3-22.6169.300000111.6K606 G612K606-A610 WeakPolarHBondContact O-CB 3.38Å; K606-A610 PolarHBondContact O-N 3.43Å; A610-G612 VanDerWaalsContact C-N 3.26Å; A610-G612 PolarHBondContact O-N 3.09Å
611G56.6Low56Low54 Ų5496.6 Ų96.656%0.55759%0.593SS**THydrogen-bonded Turntrans-78.84.4167.500000115.2V607 Y608 Q609 M613V607-G611 PolarHBondContact O-N 3.34Å; V607-G611 VanDerWaalsContact O-N 3.16Å; Y608-G611 CarbonylContact O-C 3.49Å; Y608-G611 WeakPolarHBondContact O-CA 3.48Å; Y608-G611 PolarHBondContact O-N 3.32Å; Q609-G611 PolarHBondContact O-N 3.39Å; G611-M613 PolarHBondContact O-N 3.09Å
612G38.5Very low53Low55 Ų55102.4 Ų102.457%0.56762%0.618SS**  trans-63.9109.9179.200000113.8Y608 Q609 A610Y608-G612 PolarHBondContact O-N 3.44Å; Q609-G612 PolarHBondContact O-N 2.88Å; A610-G612 VanDerWaalsContact C-N 3.26Å; A610-G612 PolarHBondContact O-N 3.09Å
613M29.8Very low50.2Low174 Ų174104.1 Ų104.186%0.85764%0.637SS**  trans61.5113.3169.1-76.7-105.4-129.200118.2G611G611-M613 PolarHBondContact O-N 3.09Å
614P32.9Very low47.4Very low124 Ų124107 Ų10781%0.80567%0.672SS**  -108.1117.8122.714.72.2000109.1
615G27.6Very low44.6Very low72 Ų72110 Ų11074%0.74271%0.707SS**  trans-58.4142.5166.100000111.2
616G29.3Very low41.8Very low77 Ų77110.5 Ų110.579%0.79473%0.726SS**  trans-178.862.8-176.300000111.8H618G616-H618 PolarHBondContact O-N 3.28Å
617M24.6Very low39.5Very low173 Ų173109.2 Ų109.285%0.85273%0.734SS**  trans-32.7122161.8-172.1166.7166.500113.6
618H28Very low37.3Very low165 Ų165111.9 Ų111.976%0.76477%0.766SS**  trans179.194.3143.7-93.8-60000106.9G616G616-H618 PolarHBondContact O-N 3.28Å
619E24.7Very low35.1Very low169 Ų169114.9 Ų114.979%0.7978%0.782SS**  66.4117.597.8-89.1-168.915600115.4
620A27.2Very low33Very low97 Ų97110.7 Ų110.780%0.80278%0.777SS**  trans66133.5156.800000116.3
621S28.2Very low31.7Very low110 Ų110112.6 Ų112.677%0.76978%0.782SS**  cis-175.6149.419.228.40000107.7
622D26.5Very low30.6Very low168 Ų168116.7 Ų116.790%0.89880%0.796SS**  trans0.7121.3163.3-75.7-41.9000119.3
623A32.1Very low30.5Very low103 Ų103121.6 Ų121.685%0.85181%0.808SS**  trans-159.5118.9137.300000110.1
624G27.8Very low30.8Very low79 Ų79121.7 Ų121.781%0.81481%0.806SS**  trans-65.7165.2-173.600000115.9G626G624-G626 PolarHBondContact O-N 3.38Å
625G26.7Very low30.9Very low83 Ų83125 Ų12586%0.85681%0.811SS**  trans-55120.8-168.900000115.1S627G625-S627 PolarHBondContact O-N 2.94Å
626G29.6Very low31.5Very low77 Ų77128.3 Ų128.379%0.79482%0.816SS**  trans-74.810016100000109.7G624 G628G624-G626 PolarHBondContact O-N 3.38Å; G626-G628 PolarHBondContact O-N 2.86Å
627S35.7Very low32.1Very low109 Ų109136 Ų13676%0.76284%0.839SS**  trans-52.9119.1159.151.60000109G625 K629G625-S627 PolarHBondContact O-N 2.94Å; S627-K629 PolarHBondContact O-N 3.34Å
628G36.6Very low32.5Very low79 Ų79134.2 Ų134.281%0.81484%0.839SS**  trans-52.8121.3178.600000111.2G626 G630G626-G628 PolarHBondContact O-N 2.86Å; G628-G630 PolarHBondContact O-N 3.05Å; G628-G630 VanDerWaalsContact O-N 3.13Å
629K32.5Very low32.7Very low211 Ų211132.5 Ų132.592%0.91784%0.843SS**  trans-66.4107.5170.3-75.3-176174.2-176.40108.2S627S627-K629 PolarHBondContact O-N 3.34Å
630G32.9Very low33.2Very low54 Ų54130.5 Ų130.556%0.55785%0.845SS**PPolyproline II helixtrans-62.9161.3163.600000111.3G628 T632G628-G630 PolarHBondContact O-N 3.05Å; G628-G630 VanDerWaalsContact O-N 3.13Å; G630-T632 PolarHBondContact O-N 2.78Å
631P37.3Very low33.5Very low132 Ų132132.5 Ų132.586%0.85785%0.848SS**PPolyproline II helixtrans-66.4125.8-172.225.3-32000111.9
632T33.4Very low33.8Very low139 Ų139133.9 Ų133.985%0.85385%0.853SS**PPolyproline II helixtrans-77.9124.5171.229.60000110.4G630G630-T632 PolarHBondContact O-N 2.78Å
633I37.6Very low34.3Very low159 Ų159131.6 Ų131.682%0.81585%0.85SS**PPolyproline II helixtrans-92118.9170.2-63.4168000106.9
634E34.6Very low34.5Very low176 Ų176133.6 Ų133.682%0.82285%0.85SS**PPolyproline II helixtrans-77.7118.5172.2-77.3-177.9157.500109.4
635E35.9Very low35Very low193 Ų193137.8 Ų137.890%0.90285%0.853SS**PPolyproline II helixtrans-68.9126.2168.7-68.4-179.5161.500108.8
636V41.3Very low35.7Very low142 Ų142142.4 Ų142.486%0.86185%0.852SS**PPolyproline II helixtrans-101.3124.2171.5-169.50000107.4
637D41.1Very low36.3Very low238 Ų238148.4 Ų148.4100%1.27386%0.858SS**  trans-41.60-175.5-69.9-41.2000116.8

Retrieved 637 of 637 residues in 876.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).