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Adenylate kinase 1

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP1. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism (By similarity).

AlphaFold DB , UniProt , Accession G4V9S0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.6Low86.5Confident214 Ų21486.7 Ų86.7100%1.05444%0.435SS*.  0139.80-68.9-172.4-152.300107.4
2T69.3Low87.5Confident70 Ų7079.8 Ų79.843%0.42940%0.4SS..  trans-59.3135.7172.6-45.90000110.1Q4 E109 V110T2-Q4 PolarHBondContact O-N 3.48Å; T2-E109 WeakPolarHBondContact CA-O 3.16Å; T2-V110 WeakPolarHBondContact CG2-O 3.39Å
3D77.8Confident88.4Confident35 Ų3573.6 Ų73.619%0.18737%0.369CS..  trans-64.2121.6175.1-162.8-69.3000110.9K5 L6 A7 K78 E109D3-K5 PolarHBondContact O-N 2.66Å; D3-K5 WeakPolarHBondContact OD1-CB 3.48Å; D3-K5 PolarHBondContact OD1-N 3.05Å; D3-L6 HydrophobicContact CB-CB 4.23Å; D3-L6 HydrophobicContact CB-CD1 4.33Å; D3-L6 HydrophobicContact CB-CG 4.31Å; D3-L6 CarbonylContact O-C 3.56Å; D3-L6 PolarHBondContact O-N 2.83Å; D3-A7 PolarHBondContact O-N 3.31Å; D3-A7 VanDerWaalsContact O-N 3.09Å; D3-K78 WeakPolarHBondContact OD2-CE 3.41Å; D3-K78 IonicContact OD2-NZ 3.26Å; D3-K78 PolarHBondContact OD2-NZ 2.99Å; D3-E109 PolarHBondContact N-O 2.72Å; D3-E109 VanDerWaalsContact N-O 3.09Å
4Q85.4Confident89.1Confident186 Ų18668.4 Ų68.487%0.86934%0.343SS*.G310 helixtrans-60-31.7-175.9-74-174.8-500112.7T2 L6 A7T2-Q4 PolarHBondContact O-N 3.48Å; Q4-L6 VanDerWaalsContact C-N 3.29Å; Q4-L6 PolarHBondContact O-N 3.49Å; Q4-A7 WeakPolarHBondContact O-CB 3.3Å; Q4-A7 PolarHBondContact O-N 3.3Å
5K92.9Very high89.7Confident87 Ų8764 Ų6438%0.37832%0.321SS..G310 helixtrans-71.4-28.6178.8-155.7-171.4-177.7-172.70111.8D3 I82 V85 D86D3-K5 PolarHBondContact O-N 2.66Å; D3-K5 WeakPolarHBondContact OD1-CB 3.48Å; D3-K5 PolarHBondContact OD1-N 3.05Å; K5-I82 HydrophobicContact CD-CG2 3.95Å; K5-I82 PolarHBondContact NZ-O 3.28Å; K5-V85 HydrophobicContact CD-CG1 3.73Å; K5-V85 VanDerWaalsContact CE-CG1 3.49Å; K5-V85 HydrophobicContact CG-CG1 3.86Å; K5-D86 VanDerWaalsContact CE-OD1 3.23Å; K5-D86 WeakPolarHBondContact CE-OD1 3.45Å; K5-D86 WeakPolarHBondContact CE-OD2 3.48Å; K5-D86 IonicContact NZ-OD1 3.8Å; K5-D86 IonicContact NZ-OD2 3.26Å; K5-D86 PolarHBondContact NZ-OD2 3.3Å
6L95.7Very high90.2Very high0 Ų060.5 Ų60.50%031%0.306CS..G310 helixtrans-98.42.9-178.5-57179000113.1D3 Q4 K8 A9 K78 M81 I82 V85 V110D3-L6 HydrophobicContact CB-CB 4.23Å; D3-L6 HydrophobicContact CB-CD1 4.33Å; D3-L6 HydrophobicContact CB-CG 4.31Å; D3-L6 CarbonylContact O-C 3.56Å; D3-L6 PolarHBondContact O-N 2.83Å; Q4-L6 VanDerWaalsContact C-N 3.29Å; Q4-L6 PolarHBondContact O-N 3.49Å; L6-K8 PolarHBondContact O-N 3.01Å; L6-A9 HydrophobicContact CB-CB 4.36Å; L6-A9 WeakPolarHBondContact O-CB 3.44Å; L6-A9 PolarHBondContact O-N 2.95Å; L6-K78 HydrophobicContact CD1-CG 4.22Å; L6-M81 HydrophobicContact CD1-CB 3.86Å; L6-M81 HydrophobicContact CD1-CE 4.26Å; L6-M81 HydrophobicContact CD1-SD 4.42Å; L6-M81 HydrophobicContact CD2-CB 3.89Å; L6-M81 HydrophobicContact CD2-CE 4.48Å; L6-I82 HydrophobicContact CD1-CG1 4.1Å; L6-I82 HydrophobicContact CD2-CG1 4.37Å; L6-I82 HydrophobicContact CG-CG1 4.22Å; L6-V85 HydrophobicContact CD2-CB 3.91Å; L6-V85 HydrophobicContact CD2-CG1 4.18Å; L6-V85 HydrophobicContact CD2-CG2 4.04Å; L6-V110 HydrophobicContact CB-CG1 4.24Å; L6-V110 HydrophobicContact CD1-CG1 3.67Å
7A90.3Very high90.6Very high64 Ų6457 Ų5753%0.52929%0.289SS..THydrogen-bonded Turntrans-58.7-23.8-17700000114.4D3 Q4D3-A7 PolarHBondContact O-N 3.31Å; D3-A7 VanDerWaalsContact O-N 3.09Å; Q4-A7 WeakPolarHBondContact O-CB 3.3Å; Q4-A7 PolarHBondContact O-N 3.3Å
8K92.6Very high90.9Very high180 Ų18054.4 Ų54.478%0.78328%0.276SS*.THydrogen-bonded Turntrans-102.65.4176.3-62.8-175.4-179178.20113.5L6 C89L6-K8 PolarHBondContact O-N 3.01Å; K8-C89 WeakPolarHBondContact O-CB 3.39Å
9A96.8Very high91.2Very high10 Ų1051.9 Ų51.98%0.08327%0.265CS..  trans-65139.4179.200000110.4L6 V11 M81 C89 F91L6-A9 HydrophobicContact CB-CB 4.36Å; L6-A9 WeakPolarHBondContact O-CB 3.44Å; L6-A9 PolarHBondContact O-N 2.95Å; A9-V11 HydrophobicContact CB-CG2 4.42Å; A9-M81 HydrophobicContact CB-CE 4.28Å; A9-C89 CarbonylContact C-O 3.53Å; A9-C89 VanDerWaalsContact CA-O 3.3Å; A9-C89 WeakPolarHBondContact CA-O 3.4Å; A9-F91 HydrophobicContact CB-CD2 4.06Å; A9-F91 HydrophobicContact CB-CE2 4.1Å
10K96.8Very high91.6Very high108 Ų10849.4 Ų49.447%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-112.5109.3171.8-68179.3-179.3178.50107.5C89 H90 F91K10-C89 PolarHBondContact N-O 2.94Å; K10-H90 WeakPolarHBondContact CD-NE2 3.48Å; K10-H90 WeakPolarHBondContact O-CA 3.46Å; K10-F91 PolarHBondContact O-N 3.36Å
11V98.2Very high91.8Very high0 Ų048.2 Ų48.20%025%0.253CS..EExtended strand (participates in β ladder)trans-108.3130.7-1721720000110.2A9 F13 M81 F91 I93 F106 C111 C113 L114A9-V11 HydrophobicContact CB-CG2 4.42Å; V11-F13 HydrophobicContact CG1-CD1 3.9Å; V11-F13 HydrophobicContact CG1-CE1 3.66Å; V11-F13 HydrophobicContact CG1-CZ 4.26Å; V11-M81 HydrophobicContact CG2-CE 3.67Å; V11-F91 HydrophobicContact CG2-CB 4.07Å; V11-I93 HydrophobicContact CG1-CD1 3.54Å; V11-I93 HydrophobicContact CG1-CG1 3.98Å; V11-I93 HydrophobicContact CG2-CD1 4.34Å; V11-F106 HydrophobicContact CB-CE1 4.3Å; V11-F106 HydrophobicContact CB-CZ 4.48Å; V11-F106 HydrophobicContact CG1-CE1 3.98Å; V11-F106 HydrophobicContact CG1-CZ 4.01Å; V11-F106 HydrophobicContact CG2-CE1 4.05Å; V11-F106 HydrophobicContact CG2-CZ 3.93Å; V11-C111 WeakPolarHBondContact CG2-SG 3.39Å; V11-C113 CarbonylContact O-C 3.53Å; V11-C113 WeakPolarHBondContact O-CA 3.28Å; V11-L114 PolarHBondContact O-N 2.99Å
12I98.7Very high93.8Very high3 Ų339.5 Ų39.52%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-111121.6167.3-60.7170.1000107.5F35 F91 L92 I93 L114 C115 I117 L191 V196I12-F35 HydrophobicContact CD1-CE1 4.46Å; I12-F35 HydrophobicContact CD1-CE2 4.22Å; I12-F35 HydrophobicContact CD1-CZ 3.79Å; I12-F91 PolarHBondContact N-O 3.47Å; I12-L92 HydrophobicContact CB-CD1 3.98Å; I12-L92 HydrophobicContact CG2-CD1 3.91Å; I12-I93 PolarHBondContact O-N 3.46Å; I12-L114 HydrophobicContact CG1-CD2 4.38Å; I12-C115 WeakPolarHBondContact CA-O 3.45Å; I12-I117 HydrophobicContact CG2-CD1 3.76Å; I12-I117 HydrophobicContact CG2-CG1 3.85Å; I12-L191 HydrophobicContact CD1-CD2 3.89Å; I12-V196 HydrophobicContact CD1-CG2 4.06Å
13F98.8Very high95.2Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-81.8138.9170.5-64.3-44.3000110.1V11 I93 Y96 P97 F106 C113 C115 V116 I117 Y165V11-F13 HydrophobicContact CG1-CD1 3.9Å; V11-F13 HydrophobicContact CG1-CE1 3.66Å; V11-F13 HydrophobicContact CG1-CZ 4.26Å; F13-I93 HydrophobicContact CD1-CB 3.96Å; F13-I93 HydrophobicContact CD1-CD1 4.49Å; F13-I93 HydrophobicContact CD1-CG2 4.09Å; F13-I93 HydrophobicContact CE1-CB 4.4Å; F13-I93 HydrophobicContact CE1-CD1 4.12Å; F13-I93 HydrophobicContact CE1-CG2 4.36Å; F13-Y96 HydrophobicContact CD1-CD1 4.35Å; F13-Y96 WeakPolarHBondContact CD1-O 3.47Å; F13-Y96 AromaticContact CE1-CD1 3.94Å; F13-Y96 HydrophobicContact CE1-CD1 3.94Å; F13-Y96 HydrophobicContact CE1-CE1 4.19Å; F13-Y96 HydrophobicContact CZ-CE1 4.46Å; F13-P97 HydrophobicContact CD2-CG 4.26Å; F13-P97 HydrophobicContact CE2-CG 4.28Å; F13-P97 VanDerWaalsContact CG-CD 3.5Å; F13-F106 HydrophobicContact CE1-CD1 4.01Å; F13-F106 HydrophobicContact CE1-CD2 4.4Å; F13-F106 HydrophobicContact CE1-CE1 4.01Å; F13-F106 HydrophobicContact CE1-CE2 4.39Å; F13-F106 HydrophobicContact CE1-CG 4.21Å; F13-F106 HydrophobicContact CE1-CZ 4.2Å; F13-F106 HydrophobicContact CZ-CB 4.28Å; F13-F106 AromaticContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD1 3.47Å; F13-F106 VanDerWaalsContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD2 4.45Å; F13-F106 AromaticContact CZ-CE1 3.82Å; F13-F106 HydrophobicContact CZ-CE1 3.82Å; F13-F106 AromaticContact CZ-CG 3.82Å; F13-F106 HydrophobicContact CZ-CG 3.82Å; F13-F106 HydrophobicContact CZ-CZ 4.45Å; F13-C113 HydrophobicContact CD2-CB 3.6Å; F13-C113 HydrophobicContact CE2-CB 3.48Å; F13-C113 VanDerWaalsContact CE2-CB 3.48Å; F13-C113 HydrophobicContact CG-CB 4.34Å; F13-C113 HydrophobicContact CZ-CB 4.11Å; F13-C115 PolarHBondContact N-O 2.95Å; F13-C115 VanDerWaalsContact N-O 3.09Å; F13-V116 HydrophobicContact CB-CG1 4.29Å; F13-V116 HydrophobicContact CB-CG2 4.17Å; F13-V116 HydrophobicContact CD2-CG2 4.15Å; F13-V116 CarbonylContact O-C 3.55Å; F13-V116 WeakPolarHBondContact O-CA 3.3Å; F13-I117 PolarHBondContact O-N 3.5Å; F13-Y165 HydrophobicContact CD2-CE2 4.39Å; F13-Y165 HydrophobicContact CE2-CE2 4.45Å
14V98.8Very high96.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-119109.7177-170.60000109.8K22 L92 I93 G95 I117 F119V14-K22 HydrophobicContact CG1-CB 3.9Å; V14-L92 HydrophobicContact CG2-CD1 3.21Å; V14-L92 HydrophobicContact CG2-CD2 4.2Å; V14-L92 HydrophobicContact CG2-CG 3.55Å; V14-I93 PolarHBondContact N-O 3.31Å; V14-G95 PolarHBondContact O-N 3.32Å; V14-I117 HydrophobicContact CG2-CD1 4.43Å; V14-F119 HydrophobicContact CG1-CD2 3.85Å; V14-F119 HydrophobicContact CG1-CE2 3.49Å; V14-F119 VanDerWaalsContact CG1-CE2 3.49Å
15L98.5Very high96.7Very high3 Ų330.2 Ų30.22%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-113.8165.5-177.1-55.4-172.9000111.1P97 V116 I117 F119 T158 V161 I162L15-P97 WeakPolarHBondContact CD2-O 3.42Å; L15-V116 HydrophobicContact CB-CG1 4.34Å; L15-V116 HydrophobicContact CD1-CG1 3.59Å; L15-V116 HydrophobicContact CG-CG1 3.75Å; L15-I117 PolarHBondContact N-O 3.42Å; L15-F119 PolarHBondContact O-N 2.87Å; L15-T158 HydrophobicContact CD1-CG2 4.49Å; L15-V161 HydrophobicContact CD1-CB 4.26Å; L15-V161 HydrophobicContact CD1-CG1 3.64Å; L15-I162 HydrophobicContact CD1-CG1 3.88Å
16G97.9Very high97Very high8 Ų826 Ų268%0.08215%0.153CC..EExtended strand (participates in β ladder)trans145.5149-176.600000109.2F119 F154G16-F119 WeakPolarHBondContact CA-O 3.19Å; G16-F154 VanDerWaalsContact C-CE2 3.4Å
17G97.2Very high97.1Very high1 Ų131.7 Ų31.71%0.0118%0.18CC..  trans-58.5164.3-176.700000112.9G19 S20 M126G17-G19 PolarHBondContact O-N 3.06Å; G17-S20 WeakPolarHBondContact O-CB 3.27Å; G17-S20 PolarHBondContact O-N 3.25Å; G17-S20 PolarHBondContact O-OG 3.49Å; G17-M126 VanDerWaalsContact CA-SD 3.51Å
18P95.9Very high97.5Very high10 Ų1031.2 Ų31.27%0.06517%0.166CC..THydrogen-bonded Turntrans-57.6130.7173.329.8-36.4000108.8S20 M126 L130 R150 F151P18-S20 VanDerWaalsContact C-N 3.35Å; P18-M126 VanDerWaalsContact O-CB 3.3Å; P18-M126 WeakPolarHBondContact O-CB 3.08Å; P18-M126 VanDerWaalsContact O-SD 3.38Å; P18-L130 HydrophobicContact CB-CD1 3.84Å; P18-L130 HydrophobicContact CB-CD2 4.16Å; P18-L130 HydrophobicContact CG-CD1 4.06Å; P18-L130 WeakPolarHBondContact O-CD1 3.45Å; P18-R150 HydrophobicContact CB-CB 4.26Å; P18-R150 HydrophobicContact CG-CB 3.83Å; P18-F151 HydrophobicContact CG-CD1 3.51Å; P18-F151 HydrophobicContact CG-CE1 3.56Å
19G96.6Very high97.7Very high7 Ų722.6 Ų22.67%0.07213%0.128CC..THydrogen-bonded Turntrans83.31.7-176.500000115.7G17 G21 R129G17-G19 PolarHBondContact O-N 3.06Å; G19-G21 PolarHBondContact O-N 2.92Å; G19-R129 WeakPolarHBondContact O-CD 3.44Å
20S97.9Very high97.7Very high1 Ų124.1 Ų24.11%0.00714%0.137CC..SBendtrans-62.4-19.5177.452.40000115.4G17 P18 R129 A176G17-S20 WeakPolarHBondContact O-CB 3.27Å; G17-S20 PolarHBondContact O-N 3.25Å; G17-S20 PolarHBondContact O-OG 3.49Å; P18-S20 VanDerWaalsContact C-N 3.35Å; S20-R129 PolarHBondContact O-NH1 3.14Å; S20-A176 WeakPolarHBondContact O-CB 3.2Å
21G97.3Very high97.8Very high26 Ų2625.7 Ų25.727%0.26815%0.146SC..SBendtrans95.93.9-176.600000114.5G19 G23 T24 Q25G19-G21 PolarHBondContact O-N 2.92Å; G21-G23 VanDerWaalsContact C-N 3.34Å; G21-G23 PolarHBondContact O-N 3.4Å; G21-T24 WeakPolarHBondContact O-CB 3.31Å; G21-T24 PolarHBondContact O-N 2.86Å; G21-T24 VanDerWaalsContact O-N 3.13Å; G21-Q25 PolarHBondContact O-N 3.19Å; G21-Q25 VanDerWaalsContact O-N 3.13Å
22K97.7Very high97.7Very high30 Ų3031 Ų3113%0.1317%0.169CC..Hα-helixtrans-49.2-47178.760.6-178.9-163.9-650114.6V14 T24 Q25 C26 D94 F119V14-K22 HydrophobicContact CG1-CB 3.9Å; K22-T24 PolarHBondContact O-N 3.28Å; K22-Q25 PolarHBondContact O-N 3.41Å; K22-Q25 VanDerWaalsContact O-N 3.09Å; K22-C26 PolarHBondContact O-N 3.39Å; K22-C26 PolarHBondContact O-SG 3.45Å; K22-D94 WeakPolarHBondContact CD-OD1 3.31Å; K22-D94 WeakPolarHBondContact CE-OD1 3.34Å; K22-D94 VanDerWaalsContact CG-OD1 3.28Å; K22-D94 WeakPolarHBondContact CG-OD1 3.49Å; K22-F119 HydrophobicContact CB-CD2 3.69Å; K22-F119 HydrophobicContact CB-CE2 4.12Å
23G96.6Very high97.6Very high26 Ų2632 Ų3227%0.26817%0.173SC..Hα-helixtrans-59.8-43.3179.800000113G21 Q25 C26 E27G21-G23 VanDerWaalsContact C-N 3.34Å; G21-G23 PolarHBondContact O-N 3.4Å; G23-Q25 VanDerWaalsContact C-N 3.31Å; G23-Q25 PolarHBondContact O-N 3.03Å; G23-C26 WeakPolarHBondContact O-CB 3.39Å; G23-C26 PolarHBondContact O-N 3.45Å; G23-E27 WeakPolarHBondContact O-CG 3.26Å; G23-E27 PolarHBondContact O-N 2.81Å
24T97.4Very high97.4Very high66 Ų6638.1 Ų38.141%0.40520%0.201SC..Hα-helixtrans-62.1-39.1175.5-53.20000111.9G21 K22 K28 V180G21-T24 WeakPolarHBondContact O-CB 3.31Å; G21-T24 PolarHBondContact O-N 2.86Å; G21-T24 VanDerWaalsContact O-N 3.13Å; K22-T24 PolarHBondContact O-N 3.28Å; T24-K28 PolarHBondContact O-N 3.33Å; T24-V180 HydrophobicContact CG2-CG1 3.64Å; T24-V180 HydrophobicContact CG2-CG2 4.09Å
25Q98.5Very high97.4Very high4 Ų438.5 Ų38.52%0.01920%0.203CC..Hα-helixtrans-72.2-36.9177.1-65.6-62.8-31.600111.8G21 K22 G23 E27 K28 L29 F119 V180 I183 F184G21-Q25 PolarHBondContact O-N 3.19Å; G21-Q25 VanDerWaalsContact O-N 3.13Å; K22-Q25 PolarHBondContact O-N 3.41Å; K22-Q25 VanDerWaalsContact O-N 3.09Å; G23-Q25 VanDerWaalsContact C-N 3.31Å; G23-Q25 PolarHBondContact O-N 3.03Å; Q25-E27 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.17Å; Q25-K28 PolarHBondContact O-N 3.29Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.29Å; Q25-L29 PolarHBondContact O-N 3Å; Q25-F119 HydrophobicContact CB-CE1 3.95Å; Q25-F119 HydrophobicContact CB-CE2 3.97Å; Q25-F119 HydrophobicContact CB-CZ 3.37Å; Q25-F119 HydrophobicContact CG-CD1 4.42Å; Q25-F119 HydrophobicContact CG-CE1 3.63Å; Q25-F119 HydrophobicContact CG-CE2 4.43Å; Q25-F119 HydrophobicContact CG-CZ 3.63Å; Q25-V180 PolarHBondContact NE2-O 3.06Å; Q25-I183 VanDerWaalsContact CD-CG2 3.46Å; Q25-I183 HydrophobicContact CG-CG2 3.83Å; Q25-F184 VanDerWaalsContact OE1-CA 3.26Å
26C98.4Very high97.4Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-58.4-42.7172.8-68.60000112K22 G23 K28 L29 V30 H37 L92K22-C26 PolarHBondContact O-N 3.39Å; K22-C26 PolarHBondContact O-SG 3.45Å; G23-C26 WeakPolarHBondContact O-CB 3.39Å; G23-C26 PolarHBondContact O-N 3.45Å; C26-K28 PolarHBondContact O-N 2.87Å; C26-L29 PolarHBondContact O-N 2.97Å; C26-V30 VanDerWaalsContact O-CG2 3.26Å; C26-V30 WeakPolarHBondContact O-CG2 3.41Å; C26-V30 PolarHBondContact O-N 2.78Å; C26-H37 WeakPolarHBondContact CB-NE2 3.46Å; C26-L92 HydrophobicContact CB-CD2 3.58Å; C26-L92 WeakPolarHBondContact SG-CD2 3.43Å
27E98.1Very high97.4Very high119 Ų11941 Ų4156%0.55621%0.212SC*.Hα-helixtrans-57.7-46.4176.2-72.4167.7-165.700111.9G23 Q25 V30 Q31G23-E27 WeakPolarHBondContact O-CG 3.26Å; G23-E27 PolarHBondContact O-N 2.81Å; Q25-E27 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.17Å; E27-V30 PolarHBondContact O-N 2.7Å; E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 3.04Å
28K98.2Very high97.4Very high53 Ų5341.5 Ų41.523%0.2322%0.215CC..Hα-helixtrans-64.6-41175.7-74.3-172.4163.8-77.50112.7T24 Q25 C26 V30 Q31 K32 V180 D181 F184T24-K28 PolarHBondContact O-N 3.33Å; Q25-K28 PolarHBondContact O-N 3.29Å; C26-K28 PolarHBondContact O-N 2.87Å; K28-V30 VanDerWaalsContact C-N 3.34Å; K28-V30 PolarHBondContact O-N 3.1Å; K28-Q31 PolarHBondContact O-N 3Å; K28-K32 WeakPolarHBondContact O-CB 3.47Å; K28-K32 PolarHBondContact O-N 3.35Å; K28-V180 HydrophobicContact CD-CG1 3.82Å; K28-V180 VanDerWaalsContact CE-CG1 3.41Å; K28-D181 WeakPolarHBondContact CE-OD1 3.28Å; K28-D181 IonicContact NZ-OD1 2.73Å; K28-D181 PolarHBondContact NZ-OD1 3.18Å; K28-F184 HydrophobicContact CB-CD2 3.42Å; K28-F184 VanDerWaalsContact CB-CD2 3.42Å; K28-F184 HydrophobicContact CB-CE2 3.54Å; K28-F184 HydrophobicContact CB-CG 4.11Å; K28-F184 HydrophobicContact CB-CZ 4.31Å; K28-F184 HydrophobicContact CD-CB 3.78Å; K28-F184 HydrophobicContact CD-CD1 4.41Å; K28-F184 HydrophobicContact CD-CD2 3.93Å; K28-F184 HydrophobicContact CD-CG 3.77Å; K28-F184 HydrophobicContact CG-CD2 4.33Å
29L97.8Very high97.6Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-62.5-40.6177-71.8171000112Q25 C26 K32 F33 F35 L92 I117 F184 V187 L191Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.29Å; Q25-L29 PolarHBondContact O-N 3Å; C26-L29 PolarHBondContact O-N 2.97Å; L29-K32 PolarHBondContact O-N 3.22Å; L29-F33 HydrophobicContact CD2-CD2 3.86Å; L29-F33 HydrophobicContact CD2-CE2 3.69Å; L29-F33 WeakPolarHBondContact O-CB 3.34Å; L29-F33 PolarHBondContact O-N 3.01Å; L29-F35 HydrophobicContact CB-CD2 4.31Å; L29-L92 HydrophobicContact CB-CD2 4.05Å; L29-L92 HydrophobicContact CD1-CD1 4.2Å; L29-L92 HydrophobicContact CD1-CD2 3.91Å; L29-I117 HydrophobicContact CD1-CD1 4.08Å; L29-F184 HydrophobicContact CD2-CD2 4.5Å; L29-F184 HydrophobicContact CD2-CE2 3.94Å; L29-F184 HydrophobicContact CG-CE2 4.28Å; L29-V187 HydrophobicContact CD1-CG1 4.12Å; L29-V187 HydrophobicContact CD2-CG1 3.83Å; L29-V187 HydrophobicContact CG-CG1 4.42Å; L29-L191 HydrophobicContact CD2-CD1 3.61Å
30V97.5Very high97.6Very high42 Ų4241.3 Ų41.326%0.25521%0.212SC..Hα-helixtrans-64.6-42.7175.4171.90000111.2C26 E27 K28 K32 H34 F35 H37C26-V30 VanDerWaalsContact O-CG2 3.26Å; C26-V30 WeakPolarHBondContact O-CG2 3.41Å; C26-V30 PolarHBondContact O-N 2.78Å; E27-V30 PolarHBondContact O-N 2.7Å; K28-V30 VanDerWaalsContact C-N 3.34Å; K28-V30 PolarHBondContact O-N 3.1Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.29Å; V30-H34 WeakPolarHBondContact O-CA 3.37Å; V30-H34 PolarHBondContact O-N 2.94Å; V30-F35 HydrophobicContact CG2-CB 4.48Å; V30-H37 HydrophobicContact CG2-CB 3.39Å
31Q97.3Very high97.4Very high141 Ų14141.3 Ų41.366%0.65921%0.213SC*.Hα-helixtrans-61.6-39.4177.1-72.1171.96.700111.9E27 K28E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3Å
32K96.3Very high97.4Very high112 Ų11243.5 Ų43.549%0.48722%0.219SC..Hα-helixtrans-79.6-47.3-177.6177.861.8179.9176.90114K28 L29 V30 F184K28-K32 WeakPolarHBondContact O-CB 3.47Å; K28-K32 PolarHBondContact O-N 3.35Å; L29-K32 PolarHBondContact O-N 3.22Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.29Å; K32-F184 HydrophobicContact CB-CZ 3.87Å; K32-F184 HydrophobicContact CG-CZ 4.13Å
33F96Very high97.3Very high22 Ų2244 Ų4410%0.09622%0.223CC..Hα-helixtrans-109.1-2.9-169.1-61.4-68.9000113.9L29 F35 N188 L191 V196 K197L29-F33 HydrophobicContact CD2-CD2 3.86Å; L29-F33 HydrophobicContact CD2-CE2 3.69Å; L29-F33 WeakPolarHBondContact O-CB 3.34Å; L29-F33 PolarHBondContact O-N 3.01Å; F33-F35 HydrophobicContact CB-CD1 4.33Å; F33-F35 HydrophobicContact CB-CD2 3.83Å; F33-F35 HydrophobicContact CB-CE1 4.15Å; F33-F35 HydrophobicContact CB-CE2 3.63Å; F33-F35 HydrophobicContact CB-CG 4.2Å; F33-F35 HydrophobicContact CB-CZ 3.82Å; F33-F35 HydrophobicContact CD2-CD2 4.45Å; F33-F35 AromaticContact CD2-CE2 3.8Å; F33-F35 HydrophobicContact CD2-CE2 3.8Å; F33-F35 HydrophobicContact CD2-CZ 4.35Å; F33-F35 AromaticContact CG-CE2 3.96Å; F33-F35 HydrophobicContact CG-CE2 3.96Å; F33-F35 HydrophobicContact CG-CZ 4.16Å; F33-F35 PolarHBondContact O-N 3.48Å; F33-N188 VanDerWaalsContact CZ-OD1 3.27Å; F33-N188 WeakPolarHBondContact CZ-OD1 3.5Å; F33-L191 HydrophobicContact CE2-CD1 4.16Å; F33-V196 HydrophobicContact CD1-CG1 3.89Å; F33-V196 HydrophobicContact CD2-CG1 4.48Å; F33-V196 HydrophobicContact CE1-CG1 3.89Å; F33-V196 HydrophobicContact CE2-CG1 4.48Å; F33-V196 HydrophobicContact CG-CG1 4.18Å; F33-V196 HydrophobicContact CZ-CG1 4.18Å; F33-K197 WeakPolarHBondContact CE1-OXT 3.41Å
34H95.8Very high97.3Very high129 Ų12943.3 Ų43.360%0.59721%0.213SC*.  trans57.829.7179.6-52.3-57.7000114.7V30 N88V30-H34 WeakPolarHBondContact O-CA 3.37Å; V30-H34 PolarHBondContact O-N 2.94Å; H34-N88 PolarHBondContact O-ND2 3.43Å
35F97.9Very high97.2Very high8 Ų842.1 Ų42.14%0.03520%0.201CC..  trans-57.2145.3175.1-68.2-45.1000112.5I12 L29 V30 F33 H37 H90 L92 V196I12-F35 HydrophobicContact CD1-CE1 4.46Å; I12-F35 HydrophobicContact CD1-CE2 4.22Å; I12-F35 HydrophobicContact CD1-CZ 3.79Å; L29-F35 HydrophobicContact CB-CD2 4.31Å; V30-F35 HydrophobicContact CG2-CB 4.48Å; F33-F35 HydrophobicContact CB-CD1 4.33Å; F33-F35 HydrophobicContact CB-CD2 3.83Å; F33-F35 HydrophobicContact CB-CE1 4.15Å; F33-F35 HydrophobicContact CB-CE2 3.63Å; F33-F35 HydrophobicContact CB-CG 4.2Å; F33-F35 HydrophobicContact CB-CZ 3.82Å; F33-F35 HydrophobicContact CD2-CD2 4.45Å; F33-F35 AromaticContact CD2-CE2 3.8Å; F33-F35 HydrophobicContact CD2-CE2 3.8Å; F33-F35 HydrophobicContact CD2-CZ 4.35Å; F33-F35 AromaticContact CG-CE2 3.96Å; F33-F35 HydrophobicContact CG-CE2 3.96Å; F33-F35 HydrophobicContact CG-CZ 4.16Å; F33-F35 PolarHBondContact O-N 3.48Å; F35-H37 PolarHBondContact O-N 2.91Å; F35-H90 HydrophobicContact CD1-CB 3.43Å; F35-H90 VanDerWaalsContact CD1-CB 3.43Å; F35-H90 HydrophobicContact CE1-CB 3.67Å; F35-L92 HydrophobicContact CB-CB 4.11Å; F35-L92 HydrophobicContact CD2-CB 4.34Å; F35-L92 HydrophobicContact CG-CB 4.43Å; F35-V196 HydrophobicContact CE1-CG1 4.37Å; F35-V196 HydrophobicContact CE2-CG1 4.4Å; F35-V196 HydrophobicContact CZ-CG1 3.57Å
36N98.2Very high97.1Very high3 Ų344.6 Ų44.62%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-71108.5159.3-72.6-38.8000108.7L84 N88 H90 F91 L92N36-L84 HydrophobicContact CB-CB 4.23Å; N36-L84 HydrophobicContact CB-CD1 4.22Å; N36-L84 PolarHBondContact ND2-O 3.37Å; N36-N88 PolarHBondContact ND2-O 2.83Å; N36-N88 PolarHBondContact ND2-OD1 2.92Å; N36-H90 WeakPolarHBondContact CB-O 3.29Å; N36-H90 PolarHBondContact N-O 3.36Å; N36-F91 HydrophobicContact CB-CD1 3.53Å; N36-F91 HydrophobicContact CB-CE1 3.56Å; N36-F91 HydrophobicContact CB-CG 4.23Å; N36-F91 HydrophobicContact CB-CZ 4.29Å; N36-F91 VanDerWaalsContact O-CA 3.31Å; N36-F91 WeakPolarHBondContact O-CA 3.41Å; N36-L92 PolarHBondContact O-N 2.97Å
37H98.4Very high96.9Very high60 Ų6046.8 Ų46.828%0.27823%0.232SC..EExtended strand (participates in β ladder)trans-95.1128-179.6174.3-129.7000111.7C26 V30 F35 L92 D94C26-H37 WeakPolarHBondContact CB-NE2 3.46Å; V30-H37 HydrophobicContact CG2-CB 3.39Å; F35-H37 PolarHBondContact O-N 2.91Å; H37-L92 WeakPolarHBondContact CA-O 3.41Å; H37-D94 VanDerWaalsContact NE2-CB 3.31Å; H37-D94 WeakPolarHBondContact NE2-CB 3.08Å
38L98.6Very high96.8Very high12 Ų1242.6 Ų42.66%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-130.7116.1176.5-66.7175.6000108.9L77 A80 M81 L84 F91 L92 I93 D94L38-L77 HydrophobicContact CB-CD2 4.19Å; L38-A80 HydrophobicContact CD1-CB 3.93Å; L38-A80 HydrophobicContact CD2-CB 3.59Å; L38-A80 HydrophobicContact CG-CB 4.41Å; L38-M81 HydrophobicContact CD1-CB 4.32Å; L38-M81 HydrophobicContact CD1-CG 3.42Å; L38-M81 VanDerWaalsContact CD1-CG 3.42Å; L38-L84 HydrophobicContact CD1-CD1 4.48Å; L38-L84 HydrophobicContact CD2-CD1 3.68Å; L38-L84 HydrophobicContact CG-CD1 4.16Å; L38-F91 HydrophobicContact CD1-CD1 4.08Å; L38-F91 HydrophobicContact CD1-CE1 4.25Å; L38-L92 PolarHBondContact N-O 3.07Å; L38-I93 CarbonylContact O-C 3.56Å; L38-I93 WeakPolarHBondContact O-CA 3.28Å; L38-D94 PolarHBondContact O-N 3.33Å
39S98.1Very high96.6Very high10 Ų1047.9 Ų47.97%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-97.9124.6171-173.70000109.7G41 D42 L43 D94S39-G41 PolarHBondContact O-N 2.89Å; S39-D42 WeakPolarHBondContact CB-OD2 3.31Å; S39-D42 PolarHBondContact O-N 2.97Å; S39-D42 VanDerWaalsContact O-N 3.09Å; S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.46Å; S39-D94 WeakPolarHBondContact CA-O 3.08Å; S39-D94 WeakPolarHBondContact CB-OD2 3.47Å; S39-D94 PolarHBondContact OG-OD2 3.32Å
40S96.5Very high96.4Very high3 Ų351.1 Ų51.12%0.02126%0.263CS..Hα-helixtrans-58.2-37.5176.966.50000111.3L44 D94 G95S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 WeakPolarHBondContact O-CD1 3.07Å; S40-L44 WeakPolarHBondContact O-CG 3.41Å; S40-L44 PolarHBondContact O-N 3.41Å; S40-D94 PolarHBondContact N-O 2.84Å; S40-G95 PolarHBondContact OG-O 3.47Å
41G95.1Very high96.1Very high2 Ų251.3 Ų51.32%0.02127%0.273CS..Hα-helixtrans-66.6-38177.200000112.7S39 R45S39-G41 PolarHBondContact O-N 2.89Å; G41-R45 WeakPolarHBondContact O-CB 3.38Å; G41-R45 WeakPolarHBondContact O-CG 3.2Å; G41-R45 PolarHBondContact O-N 3.39Å; G41-R45 PolarHBondContact O-NE 3.26Å; G41-R45 PolarHBondContact O-NH2 3.08Å
42D96.2Very high95.9Very high72 Ų7246.1 Ų46.139%0.38525%0.252SS..Hα-helixtrans-73.3-38.8178.4-68-31.9000111.6S39 L44 R45 A46 R139S39-D42 WeakPolarHBondContact CB-OD2 3.31Å; S39-D42 PolarHBondContact O-N 2.97Å; S39-D42 VanDerWaalsContact O-N 3.09Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 3.11Å; D42-R45 PolarHBondContact O-N 3.14Å; D42-R45 IonicContact OD1-CZ 2.96Å; D42-R45 IonicContact OD1-NE 3.9Å; D42-R45 PolarHBondContact OD1-NE 3.1Å; D42-R45 IonicContact OD1-NH2 3.72Å; D42-R45 PolarHBondContact OD1-NH2 2.9Å; D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 3.26Å; D42-R139 IonicContact OD1-NH2 3.83Å
43L97Very high95.8Very high41 Ų4145.7 Ų45.722%0.21526%0.261CS..Hα-helixtrans-59.2-44172.8-68.1173.8000111.5S39 A46 E47 L76 L77 A80S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.46Å; L43-A46 PolarHBondContact O-N 2.85Å; L43-E47 PolarHBondContact O-N 3.41Å; L43-E47 VanDerWaalsContact O-N 3.07Å; L43-L76 HydrophobicContact CB-CB 4.46Å; L43-L76 HydrophobicContact CD1-CB 4.5Å; L43-L77 HydrophobicContact CD1-CD2 3.66Å; L43-L77 HydrophobicContact CD1-CG 4.1Å; L43-A80 HydrophobicContact CD1-CB 4.26Å; L43-A80 HydrophobicContact CD2-CB 3.98Å
44L96.5Very high95.7Very high11 Ų1148.5 Ų48.56%0.05827%0.273CS..Hα-helixtrans-65.7-42.9175.9-69168.2000112.1S40 D42 A46 E47 V48 L58 M62 V68 V73 L76S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 WeakPolarHBondContact O-CD1 3.07Å; S40-L44 WeakPolarHBondContact O-CG 3.41Å; S40-L44 PolarHBondContact O-N 3.41Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 3.11Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 2.99Å; L44-E47 PolarHBondContact O-N 3.13Å; L44-V48 WeakPolarHBondContact O-CG2 3.3Å; L44-V48 PolarHBondContact O-N 3.46Å; L44-L58 HydrophobicContact CD2-CD1 4.01Å; L44-L58 HydrophobicContact CD2-CD2 4.12Å; L44-M62 HydrophobicContact CB-CE 4.49Å; L44-M62 HydrophobicContact CB-SD 3.88Å; L44-V68 HydrophobicContact CD1-CB 4.16Å; L44-V68 HydrophobicContact CD1-CG2 3.88Å; L44-V68 HydrophobicContact CD2-CB 4.2Å; L44-V68 HydrophobicContact CD2-CG1 3.8Å; L44-V68 HydrophobicContact CD2-CG2 4.06Å; L44-V73 HydrophobicContact CD1-CG2 4.36Å; L44-V73 HydrophobicContact CD2-CG2 4.44Å; L44-L76 HydrophobicContact CD2-CD1 3.78Å
45R95.6Very high95.7Very high41 Ų4142.4 Ų42.416%0.15525%0.245CC..Hα-helixtrans-63.6-37.3176-78.2-178.4-75.2-85.2-1.2112.4G41 D42 V48 Q49 M62G41-R45 WeakPolarHBondContact O-CB 3.38Å; G41-R45 WeakPolarHBondContact O-CG 3.2Å; G41-R45 PolarHBondContact O-N 3.39Å; G41-R45 PolarHBondContact O-NE 3.26Å; G41-R45 PolarHBondContact O-NH2 3.08Å; D42-R45 PolarHBondContact O-N 3.14Å; D42-R45 IonicContact OD1-CZ 2.96Å; D42-R45 IonicContact OD1-NE 3.9Å; D42-R45 PolarHBondContact OD1-NE 3.1Å; D42-R45 IonicContact OD1-NH2 3.72Å; D42-R45 PolarHBondContact OD1-NH2 2.9Å; R45-V48 WeakPolarHBondContact O-CB 3.39Å; R45-V48 PolarHBondContact O-N 2.88Å; R45-Q49 VanDerWaalsContact O-CG 3.29Å; R45-Q49 WeakPolarHBondContact O-CG 3.46Å; R45-Q49 PolarHBondContact O-N 2.79Å; R45-M62 HydrophobicContact CG-CE 3.7Å
46A95.4Very high95.6Very high55 Ų5549 Ų4946%0.45527%0.273SS..Hα-helixtrans-64.1-41.9174.500000111.3D42 L43 L44 Q49 S50D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 3.26Å; L43-A46 PolarHBondContact O-N 2.85Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 2.99Å; A46-Q49 PolarHBondContact O-N 2.95Å; A46-S50 PolarHBondContact O-N 3.18Å
47E95.3Very high95.4Very high46 Ų4654.7 Ų54.722%0.21530%0.3CS..Hα-helixtrans-63.6-40.7174-174.762.9-145.900111.7L43 L44 Q49 S50 S52 K54 L58L43-E47 PolarHBondContact O-N 3.41Å; L43-E47 VanDerWaalsContact O-N 3.07Å; L44-E47 PolarHBondContact O-N 3.13Å; E47-Q49 VanDerWaalsContact C-N 3.29Å; E47-Q49 PolarHBondContact O-N 2.82Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.46Å; E47-S50 PolarHBondContact O-N 2.92Å; E47-S50 VanDerWaalsContact O-N 3.16Å; E47-S50 PolarHBondContact O-OG 3.16Å; E47-S52 PolarHBondContact OE1-OG 2.64Å; E47-K54 HydrophobicContact CG-CD 4.4Å; E47-K54 HydrophobicContact CG-CG 4.5Å; E47-L58 HydrophobicContact CB-CD1 3.88Å; E47-L58 HydrophobicContact CG-CD1 3.48Å; E47-L58 VanDerWaalsContact CG-CD1 3.48Å
48V94.9Very high95.3Very high32 Ų3252.1 Ų52.119%0.19429%0.288CS..Hα-helixtrans-58.2-42.1173.3167.40000111.5L44 R45 S50 G51 L58 K59 M62L44-V48 WeakPolarHBondContact O-CG2 3.3Å; L44-V48 PolarHBondContact O-N 3.46Å; R45-V48 WeakPolarHBondContact O-CB 3.39Å; R45-V48 PolarHBondContact O-N 2.88Å; V48-S50 PolarHBondContact O-N 3.17Å; V48-G51 PolarHBondContact O-N 2.83Å; V48-L58 HydrophobicContact CG2-CB 3.83Å; V48-K59 HydrophobicContact CG1-CB 3.78Å; V48-K59 HydrophobicContact CG1-CD 4.14Å; V48-K59 HydrophobicContact CG1-CG 4.01Å; V48-K59 HydrophobicContact CG2-CB 4.07Å; V48-M62 HydrophobicContact CG2-SD 4.03Å
49Q95Very high95.1Very high163 Ų16356 Ų5676%0.76231%0.305SS*.Hα-helixtrans-67.5-20.1179.6-73.1170.77.800113.5R45 A46 E47 G51R45-Q49 VanDerWaalsContact O-CG 3.29Å; R45-Q49 WeakPolarHBondContact O-CG 3.46Å; R45-Q49 PolarHBondContact O-N 2.79Å; A46-Q49 PolarHBondContact O-N 2.95Å; E47-Q49 VanDerWaalsContact C-N 3.29Å; E47-Q49 PolarHBondContact O-N 2.82Å; Q49-G51 PolarHBondContact O-N 2.82Å
50S92.7Very high94.9Very high69 Ų6957 Ų5748%0.48331%0.314SS..THydrogen-bonded Turntrans-64-20.9175.777.60000113.5A46 E47 V48 S52A46-S50 PolarHBondContact O-N 3.18Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.46Å; E47-S50 PolarHBondContact O-N 2.92Å; E47-S50 VanDerWaalsContact O-N 3.16Å; E47-S50 PolarHBondContact O-OG 3.16Å; V48-S50 PolarHBondContact O-N 3.17Å; S50-S52 PolarHBondContact O-N 3.09Å; S50-S52 WeakPolarHBondContact OG-CB 3.16Å; S50-S52 PolarHBondContact OG-N 2.79Å; S50-S52 PolarHBondContact OG-OG 2.79Å
51G90.9Very high94.8Very high45 Ų4559 Ų5946%0.46432%0.323SS..THydrogen-bonded Turntrans70.86-175.800000114.7V48 Q49V48-G51 PolarHBondContact O-N 2.83Å; Q49-G51 PolarHBondContact O-N 2.82Å
52S93.6Very high94.8Very high32 Ų3259.7 Ų59.722%0.22433%0.326CS..  trans-61.6159178.277.70000111.7E47 S50 K54 G55 K56E47-S52 PolarHBondContact OE1-OG 2.64Å; S50-S52 PolarHBondContact O-N 3.09Å; S50-S52 WeakPolarHBondContact OG-CB 3.16Å; S50-S52 PolarHBondContact OG-N 2.79Å; S50-S52 PolarHBondContact OG-OG 2.79Å; S52-K54 PolarHBondContact O-N 2.89Å; S52-G55 WeakPolarHBondContact O-CA 3.28Å; S52-G55 PolarHBondContact O-N 3.09Å; S52-G55 PolarHBondContact OG-N 3.01Å; S52-K56 PolarHBondContact O-N 3.19Å
53P94.4Very high94.6Very high103 Ų10359.9 Ų59.967%0.66933%0.325SS*.Hα-helixtrans-52-43.6172.3-27.935.8000112.5G55 K56 E57P53-G55 PolarHBondContact O-N 2.83Å; P53-K56 WeakPolarHBondContact O-CB 3.44Å; P53-K56 PolarHBondContact O-N 2.9Å; P53-E57 PolarHBondContact O-N 3.3Å; P53-E57 VanDerWaalsContact O-N 3.17Å
54K93.9Very high94.3Very high81 Ų8162.7 Ų62.735%0.35233%0.332SS..Hα-helixtrans-59.9-45.5172.7-176.8-176.8177.5-170.60111.7E47 S52 K56 E57 L58 V72E47-K54 HydrophobicContact CG-CD 4.4Å; E47-K54 HydrophobicContact CG-CG 4.5Å; S52-K54 PolarHBondContact O-N 2.89Å; K54-K56 VanDerWaalsContact C-N 3.27Å; K54-K56 PolarHBondContact O-N 2.88Å; K54-E57 PolarHBondContact O-N 2.88Å; K54-L58 HydrophobicContact CG-CD1 4.26Å; K54-L58 HydrophobicContact CG-CG 4.42Å; K54-L58 VanDerWaalsContact O-CG 3.29Å; K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.9Å; K54-V72 VanDerWaalsContact CE-CG1 3.48Å
55G95.2Very high93.9Very high1 Ų162.6 Ų62.61%0.0133%0.334CS..Hα-helixtrans-57.9-37176.200000113.1S52 P53 K59S52-G55 WeakPolarHBondContact O-CA 3.28Å; S52-G55 PolarHBondContact O-N 3.09Å; S52-G55 PolarHBondContact OG-N 3.01Å; P53-G55 PolarHBondContact O-N 2.83Å; G55-K59 WeakPolarHBondContact O-CB 3.42Å; G55-K59 PolarHBondContact O-N 2.82Å
56K95.3Very high93.7Very high146 Ų14665 Ų6564%0.63535%0.347SS*.Hα-helixtrans-67.9-42.7175.4-66.7177.9-176.4178.90112.5S52 P53 K54 K59 A60S52-K56 PolarHBondContact O-N 3.19Å; P53-K56 WeakPolarHBondContact O-CB 3.44Å; P53-K56 PolarHBondContact O-N 2.9Å; K54-K56 VanDerWaalsContact C-N 3.27Å; K54-K56 PolarHBondContact O-N 2.88Å; K56-K59 WeakPolarHBondContact O-CB 3.35Å; K56-K59 PolarHBondContact O-N 3.49Å; K56-A60 PolarHBondContact O-N 2.99Å
57E95.3Very high93.6Very high124 Ų12464.1 Ų64.158%0.57934%0.335SS*.Hα-helixtrans-62.9-44.8175.5-69.3173.5-169.700111.6P53 K54 K59 A60 M61P53-E57 PolarHBondContact O-N 3.3Å; P53-E57 VanDerWaalsContact O-N 3.17Å; K54-E57 PolarHBondContact O-N 2.88Å; E57-K59 VanDerWaalsContact C-N 3.33Å; E57-K59 PolarHBondContact O-N 3.47Å; E57-A60 PolarHBondContact O-N 3.26Å; E57-M61 PolarHBondContact O-N 3.06Å
58L95.8Very high93.6Very high5 Ų562.3 Ų62.33%0.02633%0.327CS..Hα-helixtrans-60.8-42.8176-69-179000111.8L44 E47 V48 K54 A60 M61 M62 V68 V72L44-L58 HydrophobicContact CD2-CD1 4.01Å; L44-L58 HydrophobicContact CD2-CD2 4.12Å; E47-L58 HydrophobicContact CB-CD1 3.88Å; E47-L58 HydrophobicContact CG-CD1 3.48Å; E47-L58 VanDerWaalsContact CG-CD1 3.48Å; V48-L58 HydrophobicContact CG2-CB 3.83Å; K54-L58 HydrophobicContact CG-CD1 4.26Å; K54-L58 HydrophobicContact CG-CG 4.42Å; K54-L58 VanDerWaalsContact O-CG 3.29Å; K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.9Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.44Å; L58-M61 PolarHBondContact O-N 3.43Å; L58-M62 WeakPolarHBondContact O-CB 3.47Å; L58-M62 WeakPolarHBondContact O-CG 3.48Å; L58-M62 PolarHBondContact O-N 3.25Å; L58-V68 HydrophobicContact CD2-CB 4.21Å; L58-V68 HydrophobicContact CD2-CG1 3.34Å; L58-V68 HydrophobicContact CD2-CG2 3.78Å; L58-V72 HydrophobicContact CD2-CG1 4.24Å
59K95.2Very high93.7Very high94 Ų9463.9 Ų63.941%0.40934%0.338SS..Hα-helixtrans-56.2-48.3176.9-175.5176.4169.5179.20110.8V48 G55 K56 E57 M61 M62 E63V48-K59 HydrophobicContact CG1-CB 3.78Å; V48-K59 HydrophobicContact CG1-CD 4.14Å; V48-K59 HydrophobicContact CG1-CG 4.01Å; V48-K59 HydrophobicContact CG2-CB 4.07Å; G55-K59 WeakPolarHBondContact O-CB 3.42Å; G55-K59 PolarHBondContact O-N 2.82Å; K56-K59 WeakPolarHBondContact O-CB 3.35Å; K56-K59 PolarHBondContact O-N 3.49Å; E57-K59 VanDerWaalsContact C-N 3.33Å; E57-K59 PolarHBondContact O-N 3.47Å; K59-M61 PolarHBondContact O-N 3.05Å; K59-M62 PolarHBondContact O-N 3.41Å; K59-E63 WeakPolarHBondContact CE-OE1 3.42Å; K59-E63 IonicContact NZ-OE1 3.92Å; K59-E63 WeakPolarHBondContact O-CB 3Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.25Å
60A94.2Very high93.8Very high31 Ų3157.3 Ų57.326%0.25631%0.307SS..Hα-helixtrans-64.3-40.8-179.200000112.4K56 E57 L58 R64K56-A60 PolarHBondContact O-N 2.99Å; E57-A60 PolarHBondContact O-N 3.26Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.44Å; A60-R64 WeakPolarHBondContact O-CG 3.48Å; A60-R64 PolarHBondContact O-N 3.11Å; A60-R64 PolarHBondContact O-NH1 3.44Å; A60-R64 VanDerWaalsContact O-NH1 3.12Å
61M94.3Very high94Very high46 Ų4659 Ų5923%0.22731%0.308CS..Hα-helixtrans-63.3-44.2174.5-68.9177.2-174.800111.9E57 L58 K59 R64 G65 E66E57-M61 PolarHBondContact O-N 3.06Å; L58-M61 PolarHBondContact O-N 3.43Å; K59-M61 PolarHBondContact O-N 3.05Å; M61-R64 CarbonylContact O-C 3.55Å; M61-R64 PolarHBondContact O-N 2.91Å; M61-R64 VanDerWaalsContact O-N 3.16Å; M61-G65 PolarHBondContact O-N 2.88Å; M61-G65 VanDerWaalsContact O-N 3.15Å; M61-E66 HydrophobicContact CB-CB 4.46Å; M61-E66 PolarHBondContact O-N 3.48Å; M61-E66 VanDerWaalsContact O-N 3.07Å
62M93.3Very high94.3Very high16 Ų1658.6 Ų58.68%0.07930%0.296CS..Hα-helixtrans-65.5-41.3179.8-70.3-179.466.600112.1L44 R45 V48 L58 K59 R64 G65 V68 D141L44-M62 HydrophobicContact CB-CE 4.49Å; L44-M62 HydrophobicContact CB-SD 3.88Å; R45-M62 HydrophobicContact CG-CE 3.7Å; V48-M62 HydrophobicContact CG2-SD 4.03Å; L58-M62 WeakPolarHBondContact O-CB 3.47Å; L58-M62 WeakPolarHBondContact O-CG 3.48Å; L58-M62 PolarHBondContact O-N 3.25Å; K59-M62 PolarHBondContact O-N 3.41Å; M62-R64 PolarHBondContact O-N 2.95Å; M62-G65 PolarHBondContact O-N 3.28Å; M62-V68 HydrophobicContact CG-CG2 4.44Å; M62-D141 WeakPolarHBondContact O-CB 3.16Å
63E92.6Very high94.5Very high76 Ų7657.4 Ų57.436%0.35529%0.288SS..Hα-helixtrans-58.3-36.5172.5-79.4170.9173.200111.5K59 G65 V140 T146K59-E63 WeakPolarHBondContact CE-OE1 3.42Å; K59-E63 IonicContact NZ-OE1 3.92Å; K59-E63 WeakPolarHBondContact O-CB 3Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.25Å; E63-G65 VanDerWaalsContact C-N 3.3Å; E63-G65 PolarHBondContact O-N 3.03Å; E63-V140 HydrophobicContact CG-CB 3.73Å; E63-V140 HydrophobicContact CG-CG2 3.73Å; E63-T146 PolarHBondContact O-OG1 3.08Å
64R91.8Very high94.6Very high99 Ų9952.8 Ų52.837%0.37426%0.257SS..THydrogen-bonded Turntrans-81-3.6176-66.4-171.2-53.8-87-2.3114.4A60 M61 M62 E66 K149A60-R64 WeakPolarHBondContact O-CG 3.48Å; A60-R64 PolarHBondContact O-N 3.11Å; A60-R64 PolarHBondContact O-NH1 3.44Å; A60-R64 VanDerWaalsContact O-NH1 3.12Å; M61-R64 CarbonylContact O-C 3.55Å; M61-R64 PolarHBondContact O-N 2.91Å; M61-R64 VanDerWaalsContact O-N 3.16Å; M62-R64 PolarHBondContact O-N 2.95Å; R64-E66 HydrophobicContact CB-CG 3.99Å; R64-E66 WeakPolarHBondContact CD-OE1 3.23Å; R64-E66 IonicContact CZ-OE1 3.74Å; R64-E66 IonicContact CZ-OE2 3.35Å; R64-E66 IonicContact NE-OE1 2.78Å; R64-E66 PolarHBondContact NE-OE1 2.88Å; R64-E66 IonicContact NE-OE2 3.14Å; R64-E66 PolarHBondContact NE-OE2 3.43Å; R64-E66 VanDerWaalsContact NE-OE2 3.14Å; R64-E66 IonicContact NH2-OE1 3.82Å; R64-E66 IonicContact NH2-OE2 2.74Å; R64-E66 PolarHBondContact NH2-OE2 3.29Å; R64-E66 PolarHBondContact O-N 2.72Å; R64-K149 WeakPolarHBondContact O-CD 3.5Å
65G88.3Confident94.8Very high9 Ų951.5 Ų51.59%0.09326%0.262CS..THydrogen-bonded Turntrans70.617.1-177.600000114.4M61 M62 E63M61-G65 PolarHBondContact O-N 2.88Å; M61-G65 VanDerWaalsContact O-N 3.15Å; M62-G65 PolarHBondContact O-N 3.28Å; E63-G65 VanDerWaalsContact C-N 3.3Å; E63-G65 PolarHBondContact O-N 3.03Å
66E90.7Very high94.8Very high91 Ų9152.4 Ų52.443%0.42527%0.266SS..PPolyproline II helixtrans-78.7155.7-179.1-70.4166.3-167.600111.3M61 R64 V68M61-E66 HydrophobicContact CB-CB 4.46Å; M61-E66 PolarHBondContact O-N 3.48Å; M61-E66 VanDerWaalsContact O-N 3.07Å; R64-E66 HydrophobicContact CB-CG 3.99Å; R64-E66 WeakPolarHBondContact CD-OE1 3.23Å; R64-E66 IonicContact CZ-OE1 3.74Å; R64-E66 IonicContact CZ-OE2 3.35Å; R64-E66 IonicContact NE-OE1 2.78Å; R64-E66 PolarHBondContact NE-OE1 2.88Å; R64-E66 IonicContact NE-OE2 3.14Å; R64-E66 PolarHBondContact NE-OE2 3.43Å; R64-E66 VanDerWaalsContact NE-OE2 3.14Å; R64-E66 IonicContact NH2-OE1 3.82Å; R64-E66 IonicContact NH2-OE2 2.74Å; R64-E66 PolarHBondContact NH2-OE2 3.29Å; R64-E66 PolarHBondContact O-N 2.72Å; E66-V68 PolarHBondContact O-N 2.97Å
67L93.5Very high95Very high38 Ų3845.4 Ų45.420%0.19924%0.236CC..PPolyproline II helixtrans-70.1130.7166.2-70.7-174.6000109.4R98 E99 T153 L157L67-R98 HydrophobicContact CD2-CB 3.71Å; L67-R98 HydrophobicContact CD2-CG 4.44Å; L67-E99 HydrophobicContact CD1-CB 4.05Å; L67-E99 HydrophobicContact CD1-CG 4.35Å; L67-T153 HydrophobicContact CD1-CG2 4.28Å; L67-T153 HydrophobicContact CD2-CG2 3.62Å; L67-T153 HydrophobicContact CG-CG2 3.79Å; L67-L157 HydrophobicContact CD1-CD1 3.5Å; L67-L157 HydrophobicContact CG-CD1 4.32Å
68V95.4Very high95.1Very high8 Ų842 Ų425%0.04822%0.219CC..PPolyproline II helixtrans-69.1139.5165.1173.80000108.1L44 L58 M62 E66 L70 V72 V73L44-V68 HydrophobicContact CD1-CB 4.16Å; L44-V68 HydrophobicContact CD1-CG2 3.88Å; L44-V68 HydrophobicContact CD2-CB 4.2Å; L44-V68 HydrophobicContact CD2-CG1 3.8Å; L44-V68 HydrophobicContact CD2-CG2 4.06Å; L58-V68 HydrophobicContact CD2-CB 4.21Å; L58-V68 HydrophobicContact CD2-CG1 3.34Å; L58-V68 HydrophobicContact CD2-CG2 3.78Å; M62-V68 HydrophobicContact CG-CG2 4.44Å; E66-V68 PolarHBondContact O-N 2.97Å; V68-L70 PolarHBondContact O-N 3.48Å; V68-V72 HydrophobicContact CG1-CB 3.97Å; V68-V72 HydrophobicContact CG1-CG1 3.94Å; V68-V73 HydrophobicContact CB-CG2 3.89Å; V68-V73 HydrophobicContact CG1-CG2 3.81Å
69P96.1Very high95.1Very high65 Ų6546.6 Ų46.642%0.42224%0.24SC..PPolyproline II helixtrans-49.7133.5-179.8-30.735.8000113.2E71 V72 V73P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 PolarHBondContact O-N 3.49Å; P69-E71 VanDerWaalsContact O-N 3.14Å; P69-V72 HydrophobicContact CB-CG2 4.28Å; P69-V72 WeakPolarHBondContact O-CB 3.46Å; P69-V72 PolarHBondContact O-N 3.06Å; P69-V73 PolarHBondContact O-N 3.37Å
70L97.5Very high95.3Very high24 Ų2442.8 Ų42.813%0.12623%0.226CC..Hα-helixtrans-45.5-47.4-177.7178160.5000113.1V68 V72 V73 L74 D101 Q102 K105V68-L70 PolarHBondContact O-N 3.48Å; L70-V72 VanDerWaalsContact C-N 3.27Å; L70-V72 PolarHBondContact O-N 3.11Å; L70-V73 PolarHBondContact O-N 3.44Å; L70-L74 HydrophobicContact CD2-CB 4.48Å; L70-L74 HydrophobicContact CD2-CD2 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 PolarHBondContact O-N 2.98Å; L70-D101 HydrophobicContact CD1-CB 3.77Å; L70-D101 WeakPolarHBondContact CD1-O 3.42Å; L70-Q102 HydrophobicContact CB-CG 4Å; L70-Q102 VanDerWaalsContact CD1-CA 3.5Å; L70-Q102 HydrophobicContact CD1-CB 4.21Å; L70-Q102 HydrophobicContact CD1-CG 3.72Å; L70-Q102 VanDerWaalsContact CD1-N 3.3Å; L70-Q102 HydrophobicContact CG-CB 4.39Å; L70-Q102 HydrophobicContact CG-CG 3.6Å; L70-K105 HydrophobicContact CD2-CB 4.19Å; L70-K105 HydrophobicContact CD2-CD 3.37Å; L70-K105 HydrophobicContact CD2-CG 4.3Å
71E97.2Very high95.4Very high105 Ų10541.3 Ų41.349%0.49121%0.214SC..Hα-helixtrans-59.3-39.2-177.9-58.5-55.5154.800112.5P69 A75 K105P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 PolarHBondContact O-N 3.49Å; P69-E71 VanDerWaalsContact O-N 3.14Å; E71-A75 VanDerWaalsContact O-CB 3.23Å; E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 2.97Å; E71-K105 IonicContact OE1-NZ 3.68Å; E71-K105 PolarHBondContact OE1-NZ 2.98Å; E71-K105 IonicContact OE2-NZ 2.94Å; E71-K105 PolarHBondContact OE2-NZ 3.48Å
72V96.3Very high95.6Very high36 Ų3641.5 Ų41.522%0.21822%0.216CC..Hα-helixtrans-67.7-44.5-180176.50000110K54 L58 V68 P69 L70 L76K54-V72 VanDerWaalsContact CE-CG1 3.48Å; L58-V72 HydrophobicContact CD2-CG1 4.24Å; V68-V72 HydrophobicContact CG1-CB 3.97Å; V68-V72 HydrophobicContact CG1-CG1 3.94Å; P69-V72 HydrophobicContact CB-CG2 4.28Å; P69-V72 WeakPolarHBondContact O-CB 3.46Å; P69-V72 PolarHBondContact O-N 3.06Å; L70-V72 VanDerWaalsContact C-N 3.27Å; L70-V72 PolarHBondContact O-N 3.11Å; V72-L76 HydrophobicContact CG1-CD1 4.3Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 2.79Å; V72-L76 VanDerWaalsContact O-N 3.16Å
73V97.6Very high95.8Very high8 Ų847.6 Ų47.65%0.04824%0.242CC..Hα-helixtrans-68.4-43.8-179.7-172.90000111L44 V68 P69 L70 L76 L77 Y96L44-V73 HydrophobicContact CD1-CG2 4.36Å; L44-V73 HydrophobicContact CD2-CG2 4.44Å; V68-V73 HydrophobicContact CB-CG2 3.89Å; V68-V73 HydrophobicContact CG1-CG2 3.81Å; P69-V73 PolarHBondContact O-N 3.37Å; L70-V73 PolarHBondContact O-N 3.44Å; V73-L76 PolarHBondContact O-N 3.5Å; V73-L77 HydrophobicContact CG1-CD1 4.02Å; V73-L77 WeakPolarHBondContact O-CB 3.26Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.31Å; V73-Y96 HydrophobicContact CB-CE2 4.43Å; V73-Y96 HydrophobicContact CG1-CD2 3.68Å; V73-Y96 HydrophobicContact CG1-CE2 3.9Å
74L98Very high96Very high5 Ų546.6 Ų46.63%0.02624%0.238CC..Hα-helixtrans-63.9-41.5178.7-178.960000111.6L70 L77 K78 K105 F106 V110L70-L74 HydrophobicContact CD2-CB 4.48Å; L70-L74 HydrophobicContact CD2-CD2 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 3.1Å; L74-K78 VanDerWaalsContact O-CB 3.23Å; L74-K78 WeakPolarHBondContact O-CB 3.29Å; L74-K78 PolarHBondContact O-N 2.84Å; L74-K105 HydrophobicContact CD2-CB 4.34Å; L74-K105 HydrophobicContact CD2-CD 3.73Å; L74-K105 HydrophobicContact CD2-CG 3.76Å; L74-F106 HydrophobicContact CD1-CB 4.3Å; L74-F106 HydrophobicContact CD1-CD2 3.8Å; L74-F106 HydrophobicContact CD1-CG 4.44Å; L74-V110 HydrophobicContact CD1-CG2 3.98Å
75A96.6Very high96.3Very high54 Ų5442.7 Ų42.745%0.44623%0.226SC..Hα-helixtrans-61.6-47.3176.300000112E71 L77 K78 E79E71-A75 VanDerWaalsContact O-CB 3.23Å; E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 2.97Å; A75-L77 PolarHBondContact O-N 3.3Å; A75-K78 PolarHBondContact O-N 3.17Å; A75-E79 WeakPolarHBondContact O-CB 3.4Å; A75-E79 PolarHBondContact O-N 2.77Å
76L96.9Very high96.6Very high20 Ų2048.3 Ų48.311%0.10525%0.253CS..Hα-helixtrans-61.2-44.7177.1-72.8171.8000111.9L43 L44 V72 V73 A80L43-L76 HydrophobicContact CB-CB 4.46Å; L43-L76 HydrophobicContact CD1-CB 4.5Å; L44-L76 HydrophobicContact CD2-CD1 3.78Å; V72-L76 HydrophobicContact CG1-CD1 4.3Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 2.79Å; V72-L76 VanDerWaalsContact O-N 3.16Å; V73-L76 PolarHBondContact O-N 3.5Å; L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.27Å; L76-A80 VanDerWaalsContact O-N 3.07Å
77L98.2Very high96.9Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-61.8-48.7176.8-79.9168.8000111.2L38 L43 V73 L74 A75 E79 A80 M81 I93 Y96L38-L77 HydrophobicContact CB-CD2 4.19Å; L43-L77 HydrophobicContact CD1-CD2 3.66Å; L43-L77 HydrophobicContact CD1-CG 4.1Å; V73-L77 HydrophobicContact CG1-CD1 4.02Å; V73-L77 WeakPolarHBondContact O-CB 3.26Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.31Å; L74-L77 PolarHBondContact O-N 3.1Å; A75-L77 PolarHBondContact O-N 3.3Å; L77-E79 PolarHBondContact O-N 3.43Å; L77-A80 PolarHBondContact O-N 3Å; L77-M81 WeakPolarHBondContact O-CB 3.41Å; L77-M81 VanDerWaalsContact O-CG 3.25Å; L77-M81 WeakPolarHBondContact O-CG 3.3Å; L77-M81 PolarHBondContact O-N 2.84Å; L77-I93 HydrophobicContact CD1-CG2 4.42Å; L77-I93 HydrophobicContact CD2-CG2 4.07Å; L77-Y96 HydrophobicContact CD1-CD1 3.74Å; L77-Y96 HydrophobicContact CD1-CD2 3.55Å; L77-Y96 HydrophobicContact CD1-CE1 3.98Å; L77-Y96 HydrophobicContact CD1-CE2 3.76Å; L77-Y96 HydrophobicContact CD1-CG 3.51Å
78K97.4Very high96.9Very high52 Ų5251 Ų5123%0.22626%0.264CS..Hα-helixtrans-61.9-45-178.2-176173.8174.7174.10111.8D3 L6 L74 A75 A80 M81 I82D3-K78 WeakPolarHBondContact OD2-CE 3.41Å; D3-K78 IonicContact OD2-NZ 3.26Å; D3-K78 PolarHBondContact OD2-NZ 2.99Å; L6-K78 HydrophobicContact CD1-CG 4.22Å; L74-K78 VanDerWaalsContact O-CB 3.23Å; L74-K78 WeakPolarHBondContact O-CB 3.29Å; L74-K78 PolarHBondContact O-N 2.84Å; A75-K78 PolarHBondContact O-N 3.17Å; K78-A80 VanDerWaalsContact C-N 3.35Å; K78-A80 PolarHBondContact O-N 2.9Å; K78-M81 PolarHBondContact O-N 3.42Å; K78-I82 HydrophobicContact CG-CD1 3.99Å; K78-I82 VanDerWaalsContact O-CG1 3.29Å; K78-I82 WeakPolarHBondContact O-CG1 3.23Å; K78-I82 PolarHBondContact O-N 3.09Å
79E96.6Very high96.9Very high102 Ų10252.5 Ų52.548%0.47727%0.274SS..Hα-helixtrans-59.2-46.2175.5-173.7-173.2160.700111.4A75 L77 I82 K83A75-E79 WeakPolarHBondContact O-CB 3.4Å; A75-E79 PolarHBondContact O-N 2.77Å; L77-E79 PolarHBondContact O-N 3.43Å; E79-I82 PolarHBondContact O-N 3.28Å; E79-K83 WeakPolarHBondContact O-CG 3.39Å; E79-K83 PolarHBondContact O-N 3.19Å; E79-K83 WeakPolarHBondContact OE1-CE 3.48Å; E79-K83 IonicContact OE1-NZ 3.9Å; E79-K83 PolarHBondContact OE1-NZ 3.26Å
80A97.9Very high97Very high13 Ų1352.4 Ų52.411%0.10727%0.268CS..Hα-helixtrans-65.8-39178.900000112.4L38 L43 L76 L77 K78 K83 L84L38-A80 HydrophobicContact CD1-CB 3.93Å; L38-A80 HydrophobicContact CD2-CB 3.59Å; L38-A80 HydrophobicContact CG-CB 4.41Å; L43-A80 HydrophobicContact CD1-CB 4.26Å; L43-A80 HydrophobicContact CD2-CB 3.98Å; L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.27Å; L76-A80 VanDerWaalsContact O-N 3.07Å; L77-A80 PolarHBondContact O-N 3Å; K78-A80 VanDerWaalsContact C-N 3.35Å; K78-A80 PolarHBondContact O-N 2.9Å; A80-K83 PolarHBondContact O-N 3.13Å; A80-L84 WeakPolarHBondContact O-CG 3.2Å; A80-L84 PolarHBondContact O-N 2.95Å
81M98.4Very high97.1Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-62.4-44.7174.6-72177.773.700111.8L6 A9 V11 L38 L77 K78 K83 L84 V85 F91 I93 F106 V110L6-M81 HydrophobicContact CD1-CB 3.86Å; L6-M81 HydrophobicContact CD1-CE 4.26Å; L6-M81 HydrophobicContact CD1-SD 4.42Å; L6-M81 HydrophobicContact CD2-CB 3.89Å; L6-M81 HydrophobicContact CD2-CE 4.48Å; A9-M81 HydrophobicContact CB-CE 4.28Å; V11-M81 HydrophobicContact CG2-CE 3.67Å; L38-M81 HydrophobicContact CD1-CB 4.32Å; L38-M81 HydrophobicContact CD1-CG 3.42Å; L38-M81 VanDerWaalsContact CD1-CG 3.42Å; L77-M81 WeakPolarHBondContact O-CB 3.41Å; L77-M81 VanDerWaalsContact O-CG 3.25Å; L77-M81 WeakPolarHBondContact O-CG 3.3Å; L77-M81 PolarHBondContact O-N 2.84Å; K78-M81 PolarHBondContact O-N 3.42Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 3.13Å; M81-L84 PolarHBondContact O-N 2.79Å; M81-L84 VanDerWaalsContact O-N 3.07Å; M81-V85 WeakPolarHBondContact O-CB 3.39Å; M81-V85 PolarHBondContact O-N 3.37Å; M81-F91 HydrophobicContact CB-CE1 3.97Å; M81-F91 HydrophobicContact CB-CZ 4.12Å; M81-F91 HydrophobicContact CE-CD1 4.36Å; M81-F91 HydrophobicContact CE-CD2 3.98Å; M81-F91 HydrophobicContact CE-CE2 4.25Å; M81-F91 HydrophobicContact CE-CG 4.04Å; M81-F91 HydrophobicContact CG-CD1 3.95Å; M81-F91 HydrophobicContact CG-CE1 3.85Å; M81-F91 HydrophobicContact CG-CZ 4.36Å; M81-I93 HydrophobicContact CE-CD1 4.47Å; M81-I93 HydrophobicContact SD-CD1 3.93Å; M81-F106 HydrophobicContact CE-CZ 3.95Å; M81-F106 HydrophobicContact SD-CE2 3.8Å; M81-F106 HydrophobicContact SD-CZ 3.74Å; M81-V110 HydrophobicContact CE-CG1 3.74Å; M81-V110 HydrophobicContact SD-CG1 3.93Å
82I97.3Very high97.1Very high51 Ų5146.3 Ų46.326%0.26224%0.239SC..Hα-helixtrans-59.9-36178.8-74.1166.7000111.9K5 L6 K78 E79 L84K5-I82 HydrophobicContact CD-CG2 3.95Å; K5-I82 PolarHBondContact NZ-O 3.28Å; L6-I82 HydrophobicContact CD1-CG1 4.1Å; L6-I82 HydrophobicContact CD2-CG1 4.37Å; L6-I82 HydrophobicContact CG-CG1 4.22Å; K78-I82 HydrophobicContact CG-CD1 3.99Å; K78-I82 VanDerWaalsContact O-CG1 3.29Å; K78-I82 WeakPolarHBondContact O-CG1 3.23Å; K78-I82 PolarHBondContact O-N 3.09Å; E79-I82 PolarHBondContact O-N 3.28Å; I82-L84 VanDerWaalsContact C-N 3.32Å
83K97.3Very high97.2Very high144 Ų14444.6 Ų44.663%0.62623%0.228SC*.Hα-helixtrans-71.4-24.9177.2-70.2174.3-174.7171.20113.3E79 A80 M81E79-K83 WeakPolarHBondContact O-CG 3.39Å; E79-K83 PolarHBondContact O-N 3.19Å; E79-K83 WeakPolarHBondContact OE1-CE 3.48Å; E79-K83 IonicContact OE1-NZ 3.9Å; E79-K83 PolarHBondContact OE1-NZ 3.26Å; A80-K83 PolarHBondContact O-N 3.13Å; M81-K83 VanDerWaalsContact C-N 3.26Å; M81-K83 PolarHBondContact O-N 3.13Å
84L97.7Very high97.2Very high55 Ų5544.7 Ų44.729%0.28823%0.229SC..Hα-helixtrans-106.3-20.2-172.4-69.4175.4000114.4N36 L38 A80 M81 I82 D86 K87 F91N36-L84 HydrophobicContact CB-CB 4.23Å; N36-L84 HydrophobicContact CB-CD1 4.22Å; N36-L84 PolarHBondContact ND2-O 3.37Å; L38-L84 HydrophobicContact CD1-CD1 4.48Å; L38-L84 HydrophobicContact CD2-CD1 3.68Å; L38-L84 HydrophobicContact CG-CD1 4.16Å; A80-L84 WeakPolarHBondContact O-CG 3.2Å; A80-L84 PolarHBondContact O-N 2.95Å; M81-L84 PolarHBondContact O-N 2.79Å; M81-L84 VanDerWaalsContact O-N 3.07Å; I82-L84 VanDerWaalsContact C-N 3.32Å; L84-D86 PolarHBondContact O-N 3.09Å; L84-D86 VanDerWaalsContact O-N 3.11Å; L84-K87 VanDerWaalsContact O-CB 3.29Å; L84-K87 WeakPolarHBondContact O-CB 3.26Å; L84-K87 PolarHBondContact O-N 3.17Å; L84-F91 HydrophobicContact CB-CE1 3.97Å; L84-F91 HydrophobicContact CB-CZ 4.32Å
85V96.9Very high97.1Very high17 Ų1744.6 Ų44.610%0.10323%0.229CC..THydrogen-bonded Turntrans-59.7-27.4-172.568.80000113.7K5 L6 M81 K87 N88 F91K5-V85 HydrophobicContact CD-CG1 3.73Å; K5-V85 VanDerWaalsContact CE-CG1 3.49Å; K5-V85 HydrophobicContact CG-CG1 3.86Å; L6-V85 HydrophobicContact CD2-CB 3.91Å; L6-V85 HydrophobicContact CD2-CG1 4.18Å; L6-V85 HydrophobicContact CD2-CG2 4.04Å; M81-V85 WeakPolarHBondContact O-CB 3.39Å; M81-V85 PolarHBondContact O-N 3.37Å; V85-K87 VanDerWaalsContact C-N 3.27Å; V85-K87 PolarHBondContact O-N 2.82Å; V85-N88 CarbonylContact C-O 3.6Å; V85-N88 CarbonylContact O-C 3.55Å; V85-N88 VanDerWaalsContact O-C 3.25Å; V85-N88 PolarHBondContact O-N 3.2Å; V85-F91 HydrophobicContact CB-CE2 4.25Å; V85-F91 HydrophobicContact CB-CZ 3.97Å; V85-F91 HydrophobicContact CG2-CE2 4.19Å; V85-F91 HydrophobicContact CG2-CZ 4.42Å
86D95.7Very high97.2Very high126 Ų12642 Ų4267%0.67421%0.208SC*.THydrogen-bonded Turntrans-72.4-20.9178.3-57.5-37.6000112.3K5 L84K5-D86 VanDerWaalsContact CE-OD1 3.23Å; K5-D86 WeakPolarHBondContact CE-OD1 3.45Å; K5-D86 WeakPolarHBondContact CE-OD2 3.48Å; K5-D86 IonicContact NZ-OD1 3.8Å; K5-D86 IonicContact NZ-OD2 3.26Å; K5-D86 PolarHBondContact NZ-OD2 3.3Å; L84-D86 PolarHBondContact O-N 3.09Å; L84-D86 VanDerWaalsContact O-N 3.11Å
87K95.8Very high97.3Very high148 Ų14841.1 Ų41.164%0.64320%0.203SC*.THydrogen-bonded Turntrans-72-46.7172.5178.6-178.6167.8-166.20111.2L84 V85L84-K87 VanDerWaalsContact O-CB 3.29Å; L84-K87 WeakPolarHBondContact O-CB 3.26Å; L84-K87 PolarHBondContact O-N 3.17Å; V85-K87 VanDerWaalsContact C-N 3.27Å; V85-K87 PolarHBondContact O-N 2.82Å
88N94.5Very high97.3Very high38 Ų3844.3 Ų44.320%0.20322%0.215CC..  trans-17016416865.770.6000109.7H34 N36 V85 H90H34-N88 PolarHBondContact O-ND2 3.43Å; N36-N88 PolarHBondContact ND2-O 2.83Å; N36-N88 PolarHBondContact ND2-OD1 2.92Å; V85-N88 CarbonylContact C-O 3.6Å; V85-N88 CarbonylContact O-C 3.55Å; V85-N88 VanDerWaalsContact O-C 3.25Å; V85-N88 PolarHBondContact O-N 3.2Å; N88-H90 PolarHBondContact OD1-N 3.31Å; N88-H90 PolarHBondContact OD1-O 3.21Å; N88-H90 VanDerWaalsContact OD1-O 3.1Å
89C95.8Very high97.3Very high39 Ų3944 Ų4426%0.26421%0.214SC..SBendtrans-88.24.7-177.366.70000115.1K8 A9 K10 F91K8-C89 WeakPolarHBondContact O-CB 3.39Å; A9-C89 CarbonylContact C-O 3.53Å; A9-C89 VanDerWaalsContact CA-O 3.3Å; A9-C89 WeakPolarHBondContact CA-O 3.4Å; K10-C89 PolarHBondContact N-O 2.94Å; C89-F91 WeakPolarHBondContact O-CD2 3.42Å
90H97.7Very high97.4Very high64 Ų6441.8 Ų41.830%0.29621%0.206SC..EExtended strand (participates in β ladder)trans-101.4124.8-174.5-57.394.1000111.4K10 F35 N36 N88K10-H90 WeakPolarHBondContact CD-NE2 3.48Å; K10-H90 WeakPolarHBondContact O-CA 3.46Å; F35-H90 HydrophobicContact CD1-CB 3.43Å; F35-H90 VanDerWaalsContact CD1-CB 3.43Å; F35-H90 HydrophobicContact CE1-CB 3.67Å; N36-H90 WeakPolarHBondContact CB-O 3.29Å; N36-H90 PolarHBondContact N-O 3.36Å; N88-H90 PolarHBondContact OD1-N 3.31Å; N88-H90 PolarHBondContact OD1-O 3.21Å; N88-H90 VanDerWaalsContact OD1-O 3.1Å
91F98.4Very high97.4Very high0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-122.4135.4-174.1-71-89.7000112.1A9 K10 V11 I12 N36 L38 M81 L84 V85 C89 I93A9-F91 HydrophobicContact CB-CD2 4.06Å; A9-F91 HydrophobicContact CB-CE2 4.1Å; K10-F91 PolarHBondContact O-N 3.36Å; V11-F91 HydrophobicContact CG2-CB 4.07Å; I12-F91 PolarHBondContact N-O 3.47Å; N36-F91 HydrophobicContact CB-CD1 3.53Å; N36-F91 HydrophobicContact CB-CE1 3.56Å; N36-F91 HydrophobicContact CB-CG 4.23Å; N36-F91 HydrophobicContact CB-CZ 4.29Å; N36-F91 VanDerWaalsContact O-CA 3.31Å; N36-F91 WeakPolarHBondContact O-CA 3.41Å; L38-F91 HydrophobicContact CD1-CD1 4.08Å; L38-F91 HydrophobicContact CD1-CE1 4.25Å; M81-F91 HydrophobicContact CB-CE1 3.97Å; M81-F91 HydrophobicContact CB-CZ 4.12Å; M81-F91 HydrophobicContact CE-CD1 4.36Å; M81-F91 HydrophobicContact CE-CD2 3.98Å; M81-F91 HydrophobicContact CE-CE2 4.25Å; M81-F91 HydrophobicContact CE-CG 4.04Å; M81-F91 HydrophobicContact CG-CD1 3.95Å; M81-F91 HydrophobicContact CG-CE1 3.85Å; M81-F91 HydrophobicContact CG-CZ 4.36Å; L84-F91 HydrophobicContact CB-CE1 3.97Å; L84-F91 HydrophobicContact CB-CZ 4.32Å; V85-F91 HydrophobicContact CB-CE2 4.25Å; V85-F91 HydrophobicContact CB-CZ 3.97Å; V85-F91 HydrophobicContact CG2-CE2 4.19Å; V85-F91 HydrophobicContact CG2-CZ 4.42Å; C89-F91 WeakPolarHBondContact O-CD2 3.42Å; F91-I93 HydrophobicContact CB-CG1 4.43Å
92L98.2Very high97.4Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-107115.4165.6-164.970.3000108.1I12 V14 C26 L29 F35 N36 H37 L38I12-L92 HydrophobicContact CB-CD1 3.98Å; I12-L92 HydrophobicContact CG2-CD1 3.91Å; V14-L92 HydrophobicContact CG2-CD1 3.21Å; V14-L92 HydrophobicContact CG2-CD2 4.2Å; V14-L92 HydrophobicContact CG2-CG 3.55Å; C26-L92 HydrophobicContact CB-CD2 3.58Å; C26-L92 WeakPolarHBondContact SG-CD2 3.43Å; L29-L92 HydrophobicContact CB-CD2 4.05Å; L29-L92 HydrophobicContact CD1-CD1 4.2Å; L29-L92 HydrophobicContact CD1-CD2 3.91Å; F35-L92 HydrophobicContact CB-CB 4.11Å; F35-L92 HydrophobicContact CD2-CB 4.34Å; F35-L92 HydrophobicContact CG-CB 4.43Å; N36-L92 PolarHBondContact O-N 2.97Å; H37-L92 WeakPolarHBondContact CA-O 3.41Å; L38-L92 PolarHBondContact N-O 3.07Å
93I98.7Very high97.5Very high0 Ų043.9 Ų43.90%022%0.216CC..EExtended strand (participates in β ladder)trans-106.3103.1-178.4-62.7-173.8000108.7V11 I12 F13 V14 L38 L77 M81 F91 Y96 F106V11-I93 HydrophobicContact CG1-CD1 3.54Å; V11-I93 HydrophobicContact CG1-CG1 3.98Å; V11-I93 HydrophobicContact CG2-CD1 4.34Å; I12-I93 PolarHBondContact O-N 3.46Å; F13-I93 HydrophobicContact CD1-CB 3.96Å; F13-I93 HydrophobicContact CD1-CD1 4.49Å; F13-I93 HydrophobicContact CD1-CG2 4.09Å; F13-I93 HydrophobicContact CE1-CB 4.4Å; F13-I93 HydrophobicContact CE1-CD1 4.12Å; F13-I93 HydrophobicContact CE1-CG2 4.36Å; V14-I93 PolarHBondContact N-O 3.31Å; L38-I93 CarbonylContact O-C 3.56Å; L38-I93 WeakPolarHBondContact O-CA 3.28Å; L77-I93 HydrophobicContact CD1-CG2 4.42Å; L77-I93 HydrophobicContact CD2-CG2 4.07Å; M81-I93 HydrophobicContact CE-CD1 4.47Å; M81-I93 HydrophobicContact SD-CD1 3.93Å; F91-I93 HydrophobicContact CB-CG1 4.43Å; I93-Y96 HydrophobicContact CG2-CD1 4.02Å; I93-Y96 HydrophobicContact CG2-CG 4.27Å; I93-F106 HydrophobicContact CD1-CE2 3.59Å; I93-F106 HydrophobicContact CD1-CZ 3.47Å; I93-F106 VanDerWaalsContact CD1-CZ 3.47Å
94D98.2Very high97.5Very high10 Ų1040.8 Ų40.85%0.05321%0.205CC..EExtended strand (participates in β ladder)trans-87.7127.1-176.1171.937.8000112.5K22 H37 L38 S39 S40 Y96K22-D94 WeakPolarHBondContact CD-OD1 3.31Å; K22-D94 WeakPolarHBondContact CE-OD1 3.34Å; K22-D94 VanDerWaalsContact CG-OD1 3.28Å; K22-D94 WeakPolarHBondContact CG-OD1 3.49Å; H37-D94 VanDerWaalsContact NE2-CB 3.31Å; H37-D94 WeakPolarHBondContact NE2-CB 3.08Å; L38-D94 PolarHBondContact O-N 3.33Å; S39-D94 WeakPolarHBondContact CA-O 3.08Å; S39-D94 WeakPolarHBondContact CB-OD2 3.47Å; S39-D94 PolarHBondContact OG-OD2 3.32Å; S40-D94 PolarHBondContact N-O 2.84Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 3.38Å
95G95.8Very high97.5Very high4 Ų440.4 Ų40.44%0.04120%0.201CC..THydrogen-bonded Turntrans71.326.8175.200000113.7V14 S40 R98V14-G95 PolarHBondContact O-N 3.32Å; S40-G95 PolarHBondContact OG-O 3.47Å; G95-R98 VanDerWaalsContact O-CG 3.23Å; G95-R98 WeakPolarHBondContact O-CG 3.25Å; G95-R98 PolarHBondContact O-NE 3.01Å
96Y98.4Very high97.6Very high0 Ų039.6 Ų39.60%020%0.196CC..  trans-147.2144.5171177.5-80.7000109.5F13 V73 L77 I93 D94 Q102 F106F13-Y96 HydrophobicContact CD1-CD1 4.35Å; F13-Y96 WeakPolarHBondContact CD1-O 3.47Å; F13-Y96 AromaticContact CE1-CD1 3.94Å; F13-Y96 HydrophobicContact CE1-CD1 3.94Å; F13-Y96 HydrophobicContact CE1-CE1 4.19Å; F13-Y96 HydrophobicContact CZ-CE1 4.46Å; V73-Y96 HydrophobicContact CB-CE2 4.43Å; V73-Y96 HydrophobicContact CG1-CD2 3.68Å; V73-Y96 HydrophobicContact CG1-CE2 3.9Å; L77-Y96 HydrophobicContact CD1-CD1 3.74Å; L77-Y96 HydrophobicContact CD1-CD2 3.55Å; L77-Y96 HydrophobicContact CD1-CE1 3.98Å; L77-Y96 HydrophobicContact CD1-CE2 3.76Å; L77-Y96 HydrophobicContact CD1-CG 3.51Å; I93-Y96 HydrophobicContact CG2-CD1 4.02Å; I93-Y96 HydrophobicContact CG2-CG 4.27Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 3.38Å; Y96-Q102 HydrophobicContact CD2-CB 4.37Å; Y96-Q102 HydrophobicContact CD2-CG 4.46Å; Y96-Q102 HydrophobicContact CE1-CB 4.46Å; Y96-Q102 HydrophobicContact CE2-CB 3.62Å; Y96-Q102 HydrophobicContact CE2-CG 3.71Å; Y96-Q102 PolarHBondContact OH-O 3.45Å; Y96-F106 HydrophobicContact CD1-CD2 4.5Å; Y96-F106 HydrophobicContact CE1-CB 3.88Å; Y96-F106 AromaticContact CE1-CD2 3.65Å; Y96-F106 HydrophobicContact CE1-CD2 3.65Å; Y96-F106 AromaticContact CE1-CG 4Å; Y96-F106 HydrophobicContact CE1-CG 4Å
97P98.6Very high97.7Very high0 Ų035.4 Ų35.40%017%0.173CC..  cis-76.8149.6-3.426-27.8000113.3F13 L15 Q102 G103 V161 Y165F13-P97 HydrophobicContact CD2-CG 4.26Å; F13-P97 HydrophobicContact CE2-CG 4.28Å; F13-P97 VanDerWaalsContact CG-CD 3.5Å; L15-P97 WeakPolarHBondContact CD2-O 3.42Å; P97-Q102 HydrophobicContact CB-CB 3.46Å; P97-Q102 VanDerWaalsContact CB-CB 3.46Å; P97-G103 VanDerWaalsContact CB-N 3.34Å; P97-V161 HydrophobicContact CB-CG1 4.49Å; P97-V161 HydrophobicContact CG-CG1 3.66Å; P97-Y165 HydrophobicContact CG-CE2 4.47Å
98R97.6Very high97.7Very high67 Ų6735.4 Ų35.425%0.25317%0.172SC..SBendtrans-103.1-8.2177.7-61.8-165.3-176.4-174.97.9114.2L67 G95 L157 T158L67-R98 HydrophobicContact CD2-CB 3.71Å; L67-R98 HydrophobicContact CD2-CG 4.44Å; G95-R98 VanDerWaalsContact O-CG 3.23Å; G95-R98 WeakPolarHBondContact O-CG 3.25Å; G95-R98 PolarHBondContact O-NE 3.01Å; R98-L157 CarbonylContact O-C 3.59Å; R98-L157 VanDerWaalsContact O-C 3.27Å; R98-T158 WeakPolarHBondContact O-CA 3.44Å; R98-T158 PolarHBondContact O-N 3.25Å; R98-T158 PolarHBondContact O-OG1 3.48Å
99E98.2Very high97.7Very high45 Ų4536.2 Ų36.221%0.2118%0.175CC..SBendtrans-145.1158.3172.369-162.814800108.9L67 D101 Q102 L157 V161L67-E99 HydrophobicContact CD1-CB 4.05Å; L67-E99 HydrophobicContact CD1-CG 4.35Å; E99-D101 PolarHBondContact O-N 3.08Å; E99-Q102 HydrophobicContact CG-CB 4.08Å; E99-Q102 HydrophobicContact CG-CG 3.63Å; E99-Q102 WeakPolarHBondContact O-CB 2.8Å; E99-Q102 PolarHBondContact O-N 3.21Å; E99-Q102 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q102 PolarHBondContact OE1-NE2 3.06Å; E99-L157 HydrophobicContact CB-CB 4.22Å; E99-V161 WeakPolarHBondContact O-CG2 3.45Å
100L98.3Very high97.7Very high56 Ų5634.3 Ų34.329%0.29316%0.162SC..Hα-helixtrans-59.8-44.1-171.5-179.258.1000112.9Q102 G103 I104 H164L100-Q102 PolarHBondContact O-N 2.91Å; L100-G103 PolarHBondContact O-N 3.43Å; L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.31Å; L100-I104 HydrophobicContact CD2-CD1 4.33Å; L100-I104 HydrophobicContact CG-CD1 3.81Å; L100-I104 HydrophobicContact CG-CG1 4.37Å; L100-I104 PolarHBondContact O-N 2.97Å; L100-I104 VanDerWaalsContact O-N 3.08Å; L100-H164 HydrophobicContact CD1-CB 3.54Å; L100-H164 VanDerWaalsContact CD1-CG 3.45Å
101D98.4Very high97.6Very high105 Ų10531.5 Ų31.556%0.56115%0.15SC*.Hα-helixtrans-62-31-178.2-71.6-12.3000112.4L70 E99 G103 I104 K105L70-D101 HydrophobicContact CD1-CB 3.77Å; L70-D101 WeakPolarHBondContact CD1-O 3.42Å; E99-D101 PolarHBondContact O-N 3.08Å; D101-G103 VanDerWaalsContact C-N 3.33Å; D101-G103 PolarHBondContact O-N 2.99Å; D101-I104 PolarHBondContact O-N 3.23Å; D101-K105 VanDerWaalsContact O-CB 3.28Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 2.88Å
102Q98.6Very high97.5Very high4 Ų435.6 Ų35.62%0.01918%0.176CC..Hα-helixtrans-59.3-47173.4-79.4173.416.800110.3L70 Y96 P97 E99 L100 F106L70-Q102 HydrophobicContact CB-CG 4Å; L70-Q102 VanDerWaalsContact CD1-CA 3.5Å; L70-Q102 HydrophobicContact CD1-CB 4.21Å; L70-Q102 HydrophobicContact CD1-CG 3.72Å; L70-Q102 VanDerWaalsContact CD1-N 3.3Å; L70-Q102 HydrophobicContact CG-CB 4.39Å; L70-Q102 HydrophobicContact CG-CG 3.6Å; Y96-Q102 HydrophobicContact CD2-CB 4.37Å; Y96-Q102 HydrophobicContact CD2-CG 4.46Å; Y96-Q102 HydrophobicContact CE1-CB 4.46Å; Y96-Q102 HydrophobicContact CE2-CB 3.62Å; Y96-Q102 HydrophobicContact CE2-CG 3.71Å; Y96-Q102 PolarHBondContact OH-O 3.45Å; P97-Q102 HydrophobicContact CB-CB 3.46Å; P97-Q102 VanDerWaalsContact CB-CB 3.46Å; E99-Q102 HydrophobicContact CG-CB 4.08Å; E99-Q102 HydrophobicContact CG-CG 3.63Å; E99-Q102 WeakPolarHBondContact O-CB 2.8Å; E99-Q102 PolarHBondContact O-N 3.21Å; E99-Q102 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q102 PolarHBondContact OE1-NE2 3.06Å; L100-Q102 PolarHBondContact O-N 2.91Å; Q102-F106 VanDerWaalsContact O-CB 3.28Å; Q102-F106 WeakPolarHBondContact O-CB 3.46Å; Q102-F106 PolarHBondContact O-N 3.32Å
103G98.4Very high97.5Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-63.2-49.6178.300000112.5P97 L100 D101 K105 F106 E107P97-G103 VanDerWaalsContact CB-N 3.34Å; L100-G103 PolarHBondContact O-N 3.43Å; D101-G103 VanDerWaalsContact C-N 3.33Å; D101-G103 PolarHBondContact O-N 2.99Å; G103-K105 PolarHBondContact O-N 3.47Å; G103-F106 PolarHBondContact O-N 2.87Å; G103-E107 PolarHBondContact O-N 3.29Å
104I98.2Very high97.4Very high78 Ų7838.8 Ų38.840%0.419%0.193SC..Hα-helixtrans-59.6-47.1-179.5-65.5173000110.8L100 D101 E107 K108L100-I104 HydrophobicContact CD1-CD1 4.18Å; L100-I104 HydrophobicContact CD1-CG1 4.31Å; L100-I104 HydrophobicContact CD2-CD1 4.33Å; L100-I104 HydrophobicContact CG-CD1 3.81Å; L100-I104 HydrophobicContact CG-CG1 4.37Å; L100-I104 PolarHBondContact O-N 2.97Å; L100-I104 VanDerWaalsContact O-N 3.08Å; D101-I104 PolarHBondContact O-N 3.23Å; I104-E107 PolarHBondContact O-N 3.18Å; I104-K108 WeakPolarHBondContact O-CB 3.25Å; I104-K108 PolarHBondContact O-N 3.29Å; I104-K108 VanDerWaalsContact O-N 3.1Å
105K98Very high97.4Very high48 Ų4838.3 Ų38.321%0.20919%0.191CC..Hα-helixtrans-67.4-40.4-178.8-163.6176.4-170.2179.50111.7L70 E71 L74 D101 G103 K108 E109L70-K105 HydrophobicContact CD2-CB 4.19Å; L70-K105 HydrophobicContact CD2-CD 3.37Å; L70-K105 HydrophobicContact CD2-CG 4.3Å; E71-K105 IonicContact OE1-NZ 3.68Å; E71-K105 PolarHBondContact OE1-NZ 2.98Å; E71-K105 IonicContact OE2-NZ 2.94Å; E71-K105 PolarHBondContact OE2-NZ 3.48Å; L74-K105 HydrophobicContact CD2-CB 4.34Å; L74-K105 HydrophobicContact CD2-CD 3.73Å; L74-K105 HydrophobicContact CD2-CG 3.76Å; D101-K105 VanDerWaalsContact O-CB 3.28Å; D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 2.88Å; G103-K105 PolarHBondContact O-N 3.47Å; K105-K108 PolarHBondContact O-N 2.69Å; K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-E109 HydrophobicContact CG-CG 4.31Å; K105-E109 IonicContact NZ-OE1 2.72Å; K105-E109 WeakPolarHBondContact O-CB 3.44Å; K105-E109 PolarHBondContact O-N 3.27Å
106F98.2Very high97.5Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-57.8-50.8174.6-175.2-78.5000111.5V11 F13 L74 M81 I93 Y96 Q102 G103 K108 E109 V110 C111V11-F106 HydrophobicContact CB-CE1 4.3Å; V11-F106 HydrophobicContact CB-CZ 4.48Å; V11-F106 HydrophobicContact CG1-CE1 3.98Å; V11-F106 HydrophobicContact CG1-CZ 4.01Å; V11-F106 HydrophobicContact CG2-CE1 4.05Å; V11-F106 HydrophobicContact CG2-CZ 3.93Å; F13-F106 HydrophobicContact CE1-CD1 4.01Å; F13-F106 HydrophobicContact CE1-CD2 4.4Å; F13-F106 HydrophobicContact CE1-CE1 4.01Å; F13-F106 HydrophobicContact CE1-CE2 4.39Å; F13-F106 HydrophobicContact CE1-CG 4.21Å; F13-F106 HydrophobicContact CE1-CZ 4.2Å; F13-F106 HydrophobicContact CZ-CB 4.28Å; F13-F106 AromaticContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD1 3.47Å; F13-F106 VanDerWaalsContact CZ-CD1 3.47Å; F13-F106 HydrophobicContact CZ-CD2 4.45Å; F13-F106 AromaticContact CZ-CE1 3.82Å; F13-F106 HydrophobicContact CZ-CE1 3.82Å; F13-F106 AromaticContact CZ-CG 3.82Å; F13-F106 HydrophobicContact CZ-CG 3.82Å; F13-F106 HydrophobicContact CZ-CZ 4.45Å; L74-F106 HydrophobicContact CD1-CB 4.3Å; L74-F106 HydrophobicContact CD1-CD2 3.8Å; L74-F106 HydrophobicContact CD1-CG 4.44Å; M81-F106 HydrophobicContact CE-CZ 3.95Å; M81-F106 HydrophobicContact SD-CE2 3.8Å; M81-F106 HydrophobicContact SD-CZ 3.74Å; I93-F106 HydrophobicContact CD1-CE2 3.59Å; I93-F106 HydrophobicContact CD1-CZ 3.47Å; I93-F106 VanDerWaalsContact CD1-CZ 3.47Å; Y96-F106 HydrophobicContact CD1-CD2 4.5Å; Y96-F106 HydrophobicContact CE1-CB 3.88Å; Y96-F106 AromaticContact CE1-CD2 3.65Å; Y96-F106 HydrophobicContact CE1-CD2 3.65Å; Y96-F106 AromaticContact CE1-CG 4Å; Y96-F106 HydrophobicContact CE1-CG 4Å; Q102-F106 VanDerWaalsContact O-CB 3.28Å; Q102-F106 WeakPolarHBondContact O-CB 3.46Å; Q102-F106 PolarHBondContact O-N 3.32Å; G103-F106 PolarHBondContact O-N 2.87Å; F106-K108 PolarHBondContact O-N 3.05Å; F106-E109 PolarHBondContact O-N 2.91Å; F106-V110 HydrophobicContact CD1-CB 4.04Å; F106-V110 HydrophobicContact CD2-CB 4.23Å; F106-V110 HydrophobicContact CD2-CG2 4.03Å; F106-V110 HydrophobicContact CE1-CB 3.87Å; F106-V110 HydrophobicContact CE1-CG1 3.88Å; F106-V110 HydrophobicContact CE2-CB 4.06Å; F106-V110 HydrophobicContact CE2-CG1 3.97Å; F106-V110 HydrophobicContact CE2-CG2 4.07Å; F106-V110 HydrophobicContact CG-CB 4.23Å; F106-V110 HydrophobicContact CG-CG2 4.33Å; F106-V110 HydrophobicContact CZ-CB 3.88Å; F106-V110 HydrophobicContact CZ-CG1 3.55Å; F106-V110 HydrophobicContact CZ-CG2 4.4Å; F106-V110 WeakPolarHBondContact O-CA 3.28Å; F106-V110 VanDerWaalsContact O-CB 3.29Å; F106-V110 WeakPolarHBondContact O-CB 3.41Å; F106-V110 PolarHBondContact O-N 3.47Å; F106-C111 WeakPolarHBondContact CD1-O 3.29Å; F106-C111 WeakPolarHBondContact CE1-O 3.16Å; F106-C111 PolarHBondContact O-N 3.03Å
107E97Very high97.5Very high38 Ų3838.1 Ų38.118%0.17819%0.189CC..Hα-helixtrans-63.4-33.9-178.4-66.6-158142.600112.2G103 I104 C111 P112 C113 K170G103-E107 PolarHBondContact O-N 3.29Å; I104-E107 PolarHBondContact O-N 3.18Å; E107-C111 WeakPolarHBondContact CA-O 3.39Å; E107-P112 WeakPolarHBondContact OE1-CA 3.48Å; E107-C113 PolarHBondContact OE1-N 3.49Å; E107-C113 PolarHBondContact OE1-SG 2.88Å; E107-K170 IonicContact OE1-NZ 2.7Å; E107-K170 PolarHBondContact OE1-NZ 3.21Å
108K95.7Very high97.5Very high147 Ų14738.6 Ų38.664%0.63919%0.191SC*.Hα-helixtrans-69.6-38.3176.5-177.6-180177.4-178.10113.8I104 K105 F106I104-K108 WeakPolarHBondContact O-CB 3.25Å; I104-K108 PolarHBondContact O-N 3.29Å; I104-K108 VanDerWaalsContact O-N 3.1Å; K105-K108 PolarHBondContact O-N 2.69Å; F106-K108 PolarHBondContact O-N 3.05Å
109E95.4Very high97.6Very high55 Ų5535.5 Ų35.526%0.25718%0.18SC..Hα-helixtrans-105.9-19.7-170.3-64.7-169.8-177.200114.6T2 D3 K105 F106T2-E109 WeakPolarHBondContact CA-O 3.16Å; D3-E109 PolarHBondContact N-O 2.72Å; D3-E109 VanDerWaalsContact N-O 3.09Å; K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-E109 HydrophobicContact CG-CG 4.31Å; K105-E109 IonicContact NZ-OE1 2.72Å; K105-E109 WeakPolarHBondContact O-CB 3.44Å; K105-E109 PolarHBondContact O-N 3.27Å; F106-E109 PolarHBondContact O-N 2.91Å
110V96.4Very high97.6Very high0 Ų037.3 Ų37.30%019%0.191CC..THydrogen-bonded Turntrans-117.1-71.9-174.4-175.60000111.2T2 L6 L74 M81 F106T2-V110 WeakPolarHBondContact CG2-O 3.39Å; L6-V110 HydrophobicContact CB-CG1 4.24Å; L6-V110 HydrophobicContact CD1-CG1 3.67Å; L74-V110 HydrophobicContact CD1-CG2 3.98Å; M81-V110 HydrophobicContact CE-CG1 3.74Å; M81-V110 HydrophobicContact SD-CG1 3.93Å; F106-V110 HydrophobicContact CD1-CB 4.04Å; F106-V110 HydrophobicContact CD2-CB 4.23Å; F106-V110 HydrophobicContact CD2-CG2 4.03Å; F106-V110 HydrophobicContact CE1-CB 3.87Å; F106-V110 HydrophobicContact CE1-CG1 3.88Å; F106-V110 HydrophobicContact CE2-CB 4.06Å; F106-V110 HydrophobicContact CE2-CG1 3.97Å; F106-V110 HydrophobicContact CE2-CG2 4.07Å; F106-V110 HydrophobicContact CG-CB 4.23Å; F106-V110 HydrophobicContact CG-CG2 4.33Å; F106-V110 HydrophobicContact CZ-CB 3.88Å; F106-V110 HydrophobicContact CZ-CG1 3.55Å; F106-V110 HydrophobicContact CZ-CG2 4.4Å; F106-V110 WeakPolarHBondContact O-CA 3.28Å; F106-V110 VanDerWaalsContact O-CB 3.29Å; F106-V110 WeakPolarHBondContact O-CB 3.41Å; F106-V110 PolarHBondContact O-N 3.47Å
111C95.4Very high97.5Very high5 Ų535.2 Ų35.23%0.03418%0.18CC..  trans-176.4153.7172.759.10000110.1V11 F106 E107V11-C111 WeakPolarHBondContact CG2-SG 3.39Å; F106-C111 WeakPolarHBondContact CD1-O 3.29Å; F106-C111 WeakPolarHBondContact CE1-O 3.16Å; F106-C111 PolarHBondContact O-N 3.03Å; E107-C111 WeakPolarHBondContact CA-O 3.39Å
112P95.8Very high97.5Very high85 Ų8533.4 Ų33.455%0.55218%0.176SC*.  trans-57139.1168.9-23.934.4000112E107E107-P112 WeakPolarHBondContact OE1-CA 3.48Å
113C97.4Very high97.5Very high4 Ų437.7 Ų37.73%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-72.5145.7171.4720000110.7V11 F13 E107 Y165 K170V11-C113 CarbonylContact O-C 3.53Å; V11-C113 WeakPolarHBondContact O-CA 3.28Å; F13-C113 HydrophobicContact CD2-CB 3.6Å; F13-C113 HydrophobicContact CE2-CB 3.48Å; F13-C113 VanDerWaalsContact CE2-CB 3.48Å; F13-C113 HydrophobicContact CG-CB 4.34Å; F13-C113 HydrophobicContact CZ-CB 4.11Å; E107-C113 PolarHBondContact OE1-N 3.49Å; E107-C113 PolarHBondContact OE1-SG 2.88Å; C113-Y165 WeakPolarHBondContact SG-CE1 3.47Å; C113-K170 PolarHBondContact O-NZ 3.22Å
114L96.9Very high97.4Very high63 Ų6345.4 Ų45.433%0.3323%0.232SC..EExtended strand (participates in β ladder)trans-69.5-51.2172.817763.8000110.3V11 I12 F194 V196V11-L114 PolarHBondContact O-N 2.99Å; I12-L114 HydrophobicContact CG1-CD2 4.38Å; L114-F194 HydrophobicContact CD2-CB 4.48Å; L114-V196 HydrophobicContact CD2-CG2 3.85Å
115C98Very high97.4Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-158.4172.2177.265.40000111.2I12 F13 K170 F194I12-C115 WeakPolarHBondContact CA-O 3.45Å; F13-C115 PolarHBondContact N-O 2.95Å; F13-C115 VanDerWaalsContact N-O 3.09Å; C115-K170 CarbonylContact C-O 3.52Å; C115-K170 VanDerWaalsContact CA-O 3.28Å; C115-K170 WeakPolarHBondContact CA-O 3.37Å; C115-K170 VanDerWaalsContact CB-O 3.26Å; C115-K170 WeakPolarHBondContact CB-O 2.81Å; C115-F194 HydrophobicContact CB-CD1 3.64Å; C115-F194 HydrophobicContact CB-CE1 3.59Å; C115-F194 HydrophobicContact CB-CG 4.14Å; C115-F194 HydrophobicContact CB-CZ 4.07Å
116V98.6Very high97.4Very high0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans-121.2122.1174.4-176.80000108.3F13 L15 Y165 K170 V171 I172F13-V116 HydrophobicContact CB-CG1 4.29Å; F13-V116 HydrophobicContact CB-CG2 4.17Å; F13-V116 HydrophobicContact CD2-CG2 4.15Å; F13-V116 CarbonylContact O-C 3.55Å; F13-V116 WeakPolarHBondContact O-CA 3.3Å; L15-V116 HydrophobicContact CB-CG1 4.34Å; L15-V116 HydrophobicContact CD1-CG1 3.59Å; L15-V116 HydrophobicContact CG-CG1 3.75Å; V116-Y165 HydrophobicContact CG2-CD1 4.22Å; V116-Y165 HydrophobicContact CG2-CD2 3.76Å; V116-Y165 HydrophobicContact CG2-CE2 4.38Å; V116-Y165 HydrophobicContact CG2-CG 3.65Å; V116-K170 PolarHBondContact N-O 2.62Å; V116-V171 HydrophobicContact CB-CG2 4.12Å; V116-V171 CarbonylContact O-C 3.58Å; V116-V171 WeakPolarHBondContact O-CA 3.42Å; V116-I172 PolarHBondContact O-N 3Å
117I98.6Very high97.3Very high0 Ų047.5 Ų47.50%024%0.239CC..EExtended strand (participates in β ladder)trans-90.4120.2168.7-54.8168.3000107.3I12 F13 V14 L15 L29 F119 I174 V187 L191I12-I117 HydrophobicContact CG2-CD1 3.76Å; I12-I117 HydrophobicContact CG2-CG1 3.85Å; F13-I117 PolarHBondContact O-N 3.5Å; V14-I117 HydrophobicContact CG2-CD1 4.43Å; L15-I117 PolarHBondContact N-O 3.42Å; L29-I117 HydrophobicContact CD1-CD1 4.08Å; I117-F119 HydrophobicContact CG2-CD2 4.21Å; I117-F119 HydrophobicContact CG2-CE1 4.33Å; I117-F119 HydrophobicContact CG2-CE2 3.7Å; I117-F119 HydrophobicContact CG2-CZ 3.75Å; I117-I174 HydrophobicContact CG2-CG1 4.25Å; I117-V187 HydrophobicContact CD1-CG1 3.93Å; I117-L191 HydrophobicContact CD1-CD1 4.16Å; I117-L191 HydrophobicContact CD1-CD2 4.1Å; I117-L191 HydrophobicContact CD1-CG 4.37Å; I117-L191 HydrophobicContact CG1-CD2 4.39Å
118N98.6Very high97.3Very high10 Ų1053.6 Ų53.65%0.05327%0.265CS..EExtended strand (participates in β ladder)trans-108.3115.9174.4175.144.3000110.1D120 I162 V171 I172 T173 I174N118-D120 PolarHBondContact O-N 3.37Å; N118-I162 HydrophobicContact CB-CD1 4.44Å; N118-I162 HydrophobicContact CB-CG2 4.4Å; N118-I162 VanDerWaalsContact OD1-CD1 3.26Å; N118-I162 WeakPolarHBondContact OD1-CD1 3.48Å; N118-V171 HydrophobicContact CB-CG1 4.21Å; N118-I172 PolarHBondContact N-O 3.16Å; N118-T173 WeakPolarHBondContact O-CA 3.48Å; N118-I174 PolarHBondContact O-N 3.23Å
119F98.6Very high97.3Very high2 Ų250.4 Ų50.41%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-87.8105.4172.1-69.4-74.1000110.5V14 L15 G16 K22 Q25 I117 I174 A176 I183 V187V14-F119 HydrophobicContact CG1-CD2 3.85Å; V14-F119 HydrophobicContact CG1-CE2 3.49Å; V14-F119 VanDerWaalsContact CG1-CE2 3.49Å; L15-F119 PolarHBondContact O-N 2.87Å; G16-F119 WeakPolarHBondContact CA-O 3.19Å; K22-F119 HydrophobicContact CB-CD2 3.69Å; K22-F119 HydrophobicContact CB-CE2 4.12Å; Q25-F119 HydrophobicContact CB-CE1 3.95Å; Q25-F119 HydrophobicContact CB-CE2 3.97Å; Q25-F119 HydrophobicContact CB-CZ 3.37Å; Q25-F119 HydrophobicContact CG-CD1 4.42Å; Q25-F119 HydrophobicContact CG-CE1 3.63Å; Q25-F119 HydrophobicContact CG-CE2 4.43Å; Q25-F119 HydrophobicContact CG-CZ 3.63Å; I117-F119 HydrophobicContact CG2-CD2 4.21Å; I117-F119 HydrophobicContact CG2-CE1 4.33Å; I117-F119 HydrophobicContact CG2-CE2 3.7Å; I117-F119 HydrophobicContact CG2-CZ 3.75Å; F119-I174 HydrophobicContact CD1-CB 4.07Å; F119-I174 HydrophobicContact CD1-CG2 4.18Å; F119-I174 HydrophobicContact CE1-CB 4.19Å; F119-I174 HydrophobicContact CE1-CG2 4.13Å; F119-A176 HydrophobicContact CB-CB 4.03Å; F119-A176 HydrophobicContact CD1-CB 4.08Å; F119-I183 HydrophobicContact CD1-CG2 4.07Å; F119-I183 HydrophobicContact CE1-CG2 3.64Å; F119-V187 HydrophobicContact CE1-CG2 3.62Å; F119-V187 HydrophobicContact CZ-CG2 3.76Å
120D98.3Very high97.3Very high84 Ų8447.8 Ų47.845%0.44924%0.236SC..EExtended strand (participates in β ladder)trans-96.4128.8-179.9-172.651000111N118 T173 I174 A176N118-D120 PolarHBondContact O-N 3.37Å; D120-T173 HydrophobicContact CB-CG2 3.96Å; D120-I174 PolarHBondContact N-O 3.24Å; D120-A176 PolarHBondContact O-N 2.65Å
121V98.1Very high97.2Very high12 Ų1250.9 Ų50.97%0.07325%0.252CS..  trans-162.1151.2176.958.20000108.7V125 M126 A176V121-V125 HydrophobicContact CG2-CB 3.7Å; V121-V125 HydrophobicContact CG2-CG1 3.5Å; V121-V125 VanDerWaalsContact CG2-CG1 3.5Å; V121-V125 HydrophobicContact CG2-CG2 4.38Å; V121-M126 HydrophobicContact CG1-CG 3.61Å; V121-M126 HydrophobicContact CG1-SD 4.14Å; V121-A176 HydrophobicContact CB-CB 4.09Å; V121-A176 HydrophobicContact CG1-CB 4.24Å
122S97.9Very high97.2Very high66 Ų6656.6 Ų56.646%0.46228%0.277SS..  trans-58.3146.4-177.460.10000112.9E124 V125 M126S122-E124 PolarHBondContact O-N 3.19Å; S122-V125 PolarHBondContact O-N 2.98Å; S122-V125 VanDerWaalsContact OG-CG2 3.25Å; S122-V125 WeakPolarHBondContact OG-CG2 3.15Å; S122-M126 WeakPolarHBondContact O-CG 3.23Å; S122-M126 PolarHBondContact O-N 3.48Å
123E97.7Very high97.1Very high95 Ų9555.8 Ų55.844%0.44426%0.263SS..Hα-helixtrans-57.9-36.3176.9-169.917412800112.1M126 R127 F151E123-M126 HydrophobicContact CB-CE 4.27Å; E123-M126 WeakPolarHBondContact O-CB 3.26Å; E123-M126 PolarHBondContact O-N 3.07Å; E123-R127 WeakPolarHBondContact O-CB 3.45Å; E123-R127 PolarHBondContact O-N 2.65Å; E123-F151 HydrophobicContact CG-CD1 4.08Å; E123-F151 HydrophobicContact CG-CD2 3.61Å; E123-F151 HydrophobicContact CG-CE1 4.13Å; E123-F151 HydrophobicContact CG-CE2 3.67Å; E123-F151 HydrophobicContact CG-CG 3.84Å; E123-F151 HydrophobicContact CG-CZ 3.95Å
124E97.5Very high96.9Very high162 Ų16257.5 Ų57.576%0.75728%0.278SS*.Hα-helixtrans-59-49.5175.8-172.3-169157.400112S122 M126 R127 K128S122-E124 PolarHBondContact O-N 3.19Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.96Å; E124-R127 PolarHBondContact O-N 2.78Å; E124-K128 PolarHBondContact O-N 3.09Å
125V97.8Very high96.7Very high44 Ų4460.8 Ų60.827%0.26729%0.291SS..Hα-helixtrans-64.8-41.2178168.90000110.5V121 S122 K128 R129V121-V125 HydrophobicContact CG2-CB 3.7Å; V121-V125 HydrophobicContact CG2-CG1 3.5Å; V121-V125 VanDerWaalsContact CG2-CG1 3.5Å; V121-V125 HydrophobicContact CG2-CG2 4.38Å; S122-V125 PolarHBondContact O-N 2.98Å; S122-V125 VanDerWaalsContact OG-CG2 3.25Å; S122-V125 WeakPolarHBondContact OG-CG2 3.15Å; V125-K128 PolarHBondContact O-N 3.26Å; V125-R129 HydrophobicContact CG1-CG 4.5Å; V125-R129 VanDerWaalsContact CG1-CZ 3.44Å; V125-R129 WeakPolarHBondContact O-CB 3.44Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.33Å; V125-R129 PolarHBondContact O-N 3.24Å
126M97.7Very high96.4Very high9 Ų966.4 Ų66.44%0.04433%0.326CS..Hα-helixtrans-59.4-47174.9-72.6-165.8-7000112G17 P18 V121 S122 E123 E124 R129 L130 F151G17-M126 VanDerWaalsContact CA-SD 3.51Å; P18-M126 VanDerWaalsContact O-CB 3.3Å; P18-M126 WeakPolarHBondContact O-CB 3.08Å; P18-M126 VanDerWaalsContact O-SD 3.38Å; V121-M126 HydrophobicContact CG1-CG 3.61Å; V121-M126 HydrophobicContact CG1-SD 4.14Å; S122-M126 WeakPolarHBondContact O-CG 3.23Å; S122-M126 PolarHBondContact O-N 3.48Å; E123-M126 HydrophobicContact CB-CE 4.27Å; E123-M126 WeakPolarHBondContact O-CB 3.26Å; E123-M126 PolarHBondContact O-N 3.07Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.96Å; M126-R129 PolarHBondContact O-N 2.87Å; M126-L130 VanDerWaalsContact O-CG 3.28Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 3.23Å; M126-F151 HydrophobicContact CB-CE1 3.61Å; M126-F151 HydrophobicContact CB-CZ 3.8Å; M126-F151 HydrophobicContact CE-CD1 4.21Å; M126-F151 HydrophobicContact CE-CE1 3.97Å; M126-F151 HydrophobicContact SD-CE1 4.23Å
127R96.5Very high95.9Very high116 Ų11667.9 Ų67.944%0.43834%0.336SS..Hα-helixtrans-61.7-47.5-179.7-171.9175.1179.9-154.3-3.4110.8E123 E124 R129 L130 L131 E144 I147 F151E123-R127 WeakPolarHBondContact O-CB 3.45Å; E123-R127 PolarHBondContact O-N 2.65Å; E124-R127 PolarHBondContact O-N 2.78Å; R127-R129 VanDerWaalsContact C-N 3.31Å; R127-R129 PolarHBondContact O-N 3.14Å; R127-L130 PolarHBondContact O-N 3.34Å; R127-L130 VanDerWaalsContact O-N 3.15Å; R127-L131 HydrophobicContact CG-CD1 4.16Å; R127-L131 HydrophobicContact CG-CG 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 2.83Å; R127-E144 IonicContact CZ-OE1 2.57Å; R127-E144 IonicContact NE-OE1 3.47Å; R127-E144 PolarHBondContact NE-OE1 2.9Å; R127-E144 IonicContact NE-OE2 3.47Å; R127-E144 VanDerWaalsContact NH2-CD 3.31Å; R127-E144 IonicContact NH2-OE1 3.86Å; R127-E144 PolarHBondContact NH2-OE1 3.36Å; R127-E144 IonicContact NH2-OE2 3.35Å; R127-I147 HydrophobicContact CG-CG2 4.48Å; R127-F151 HydrophobicContact CB-CE2 3.88Å; R127-F151 HydrophobicContact CB-CZ 3.93Å; R127-F151 HydrophobicContact CG-CE2 4.27Å
128K96Very high95.4Very high166 Ų16676.1 Ų76.172%0.72238%0.38SS*.Hα-helixtrans-56.6-44175.5-175.2177.3-179.5176.60112.1E124 V125 K132E124-K128 PolarHBondContact O-N 3.09Å; V125-K128 PolarHBondContact O-N 3.26Å; K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 3.22Å
129R96.4Very high94.9Very high80 Ų8079.3 Ų79.330%0.30239%0.391SS..Hα-helixtrans-66.2-38.7177.5-71.3170-179.9177.12.1112.2G19 S20 V125 M126 R127 R133 A176G19-R129 WeakPolarHBondContact O-CD 3.44Å; S20-R129 PolarHBondContact O-NH1 3.14Å; V125-R129 HydrophobicContact CG1-CG 4.5Å; V125-R129 VanDerWaalsContact CG1-CZ 3.44Å; V125-R129 WeakPolarHBondContact O-CB 3.44Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.33Å; V125-R129 PolarHBondContact O-N 3.24Å; M126-R129 PolarHBondContact O-N 2.87Å; R127-R129 VanDerWaalsContact C-N 3.31Å; R127-R129 PolarHBondContact O-N 3.14Å; R129-R133 WeakPolarHBondContact O-CB 3.23Å; R129-R133 PolarHBondContact O-N 3.21Å; R129-A176 PolarHBondContact NH1-O 2.74Å; R129-A176 PolarHBondContact NH2-O 3.14Å
130L95.6Very high94.3Very high0 Ų082 Ų820%041%0.408CS..Hα-helixtrans-67.8-47.4178.1-70.8168.8000111.9P18 M126 R127 K132 R133 A134 I147 F151P18-L130 HydrophobicContact CB-CD1 3.84Å; P18-L130 HydrophobicContact CB-CD2 4.16Å; P18-L130 HydrophobicContact CG-CD1 4.06Å; P18-L130 WeakPolarHBondContact O-CD1 3.45Å; M126-L130 VanDerWaalsContact O-CG 3.28Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 3.23Å; R127-L130 PolarHBondContact O-N 3.34Å; R127-L130 VanDerWaalsContact O-N 3.15Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.31Å; L130-R133 CarbonylContact O-C 3.25Å; L130-R133 WeakPolarHBondContact O-CB 3.43Å; L130-R133 PolarHBondContact O-N 2.81Å; L130-R133 VanDerWaalsContact O-N 3.08Å; L130-A134 PolarHBondContact O-N 2.57Å; L130-I147 HydrophobicContact CB-CD1 3.65Å; L130-I147 HydrophobicContact CB-CG1 4.08Å; L130-I147 HydrophobicContact CD1-CB 4.37Å; L130-I147 HydrophobicContact CD1-CD1 4.43Å; L130-I147 HydrophobicContact CD1-CG1 3.99Å; L130-I147 HydrophobicContact CD1-CG2 3.66Å; L130-F151 HydrophobicContact CD1-CE1 3.91Å; L130-F151 HydrophobicContact CD1-CZ 3.69Å
131L94.1Very high93.9Very high65 Ų6578.5 Ų78.534%0.3439%0.389SS..Hα-helixtrans-60.1-43.2176.4-67.7175.6000111.3R127 R133 A134 E135 E144 I147R127-L131 HydrophobicContact CG-CD1 4.16Å; R127-L131 HydrophobicContact CG-CG 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 2.83Å; L131-R133 VanDerWaalsContact C-N 3.27Å; L131-R133 PolarHBondContact O-N 3.21Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 2.97Å; L131-A134 VanDerWaalsContact O-N 3.15Å; L131-E135 PolarHBondContact O-N 2.8Å; L131-E144 WeakPolarHBondContact CD2-OE2 3.35Å; L131-I147 HydrophobicContact CD2-CD1 3.93Å; L131-I147 HydrophobicContact CG-CD1 4.44Å
132K94.7Very high93.5Very high125 Ų12578 Ų7854%0.54339%0.386SS..Hα-helixtrans-61.6-36.7175.2-174.956.6179.9173.30112.6K128 L130 E135K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 3.22Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.31Å; K132-E135 WeakPolarHBondContact CD-OE2 3.34Å; K132-E135 IonicContact NZ-OE1 3.56Å; K132-E135 IonicContact NZ-OE2 3.46Å; K132-E135 PolarHBondContact NZ-OE2 3.31Å
133R94.3Very high93.1Very high68 Ų6878 Ų7826%0.25738%0.381SS..Hα-helixtrans-72.1-32.7176.3-171.2174.371.5-149.8-2.3112.3R129 L130 L131 E135 T136 S137 D142R129-R133 WeakPolarHBondContact O-CB 3.23Å; R129-R133 PolarHBondContact O-N 3.21Å; L130-R133 CarbonylContact O-C 3.25Å; L130-R133 WeakPolarHBondContact O-CB 3.43Å; L130-R133 PolarHBondContact O-N 2.81Å; L130-R133 VanDerWaalsContact O-N 3.08Å; L131-R133 VanDerWaalsContact C-N 3.27Å; L131-R133 PolarHBondContact O-N 3.21Å; R133-E135 PolarHBondContact O-N 2.67Å; R133-T136 PolarHBondContact O-N 2.8Å; R133-T136 VanDerWaalsContact O-N 3.14Å; R133-T136 PolarHBondContact O-OG1 2.85Å; R133-S137 WeakPolarHBondContact O-CB 3.4Å; R133-S137 PolarHBondContact O-N 3.21Å; R133-S137 PolarHBondContact O-OG 3.15Å; R133-S137 VanDerWaalsContact O-OG 3.04Å; R133-D142 IonicContact CZ-OD1 3.67Å; R133-D142 IonicContact CZ-OD2 2.71Å; R133-D142 VanDerWaalsContact CZ-OD2 3.26Å; R133-D142 IonicContact NE-OD1 3.83Å; R133-D142 IonicContact NE-OD2 2.68Å; R133-D142 PolarHBondContact NE-OD2 2.92Å; R133-D142 VanDerWaalsContact NH2-CG 3.28Å; R133-D142 IonicContact NH2-OD1 3.16Å; R133-D142 PolarHBondContact NH2-OD1 3.06Å; R133-D142 IonicContact NH2-OD2 3.92Å; R133-D142 PolarHBondContact NH2-OD2 3.47Å
134A92.8Very high92.7Very high41 Ų4176.8 Ų76.834%0.33938%0.375SS..Hα-helixtrans-60.9-31176.900000112.2L130 L131 T136 D142L130-A134 PolarHBondContact O-N 2.57Å; L131-A134 WeakPolarHBondContact O-CB 3.36Å; L131-A134 PolarHBondContact O-N 2.97Å; L131-A134 VanDerWaalsContact O-N 3.15Å; A134-T136 PolarHBondContact O-N 2.99Å; A134-D142 HydrophobicContact CB-CB 4.08Å; A134-D142 VanDerWaalsContact CB-O 3.28Å; A134-D142 WeakPolarHBondContact CB-O 3.37Å
135E92.9Very high92.5Very high131 Ų13176.1 Ų76.161%0.61237%0.372SS*.THydrogen-bonded Turntrans-62-29.1175.7-64171.5-157.700113.5L131 K132 R133L131-E135 PolarHBondContact O-N 2.8Å; K132-E135 WeakPolarHBondContact CD-OE2 3.34Å; K132-E135 IonicContact NZ-OE1 3.56Å; K132-E135 IonicContact NZ-OE2 3.46Å; K132-E135 PolarHBondContact NZ-OE2 3.31Å; R133-E135 PolarHBondContact O-N 2.67Å
136T92.1Very high92.3Very high119 Ų11974.2 Ų74.273%0.7336%0.36SS*.THydrogen-bonded Turntrans-120.6-13.4-171.362.10000114.1R133 A134R133-T136 PolarHBondContact O-N 2.8Å; R133-T136 VanDerWaalsContact O-N 3.14Å; R133-T136 PolarHBondContact O-OG1 2.85Å; A134-T136 PolarHBondContact O-N 2.99Å
137S87.9Confident92.2Very high31 Ų3173.8 Ų73.822%0.21736%0.358CS..  trans-106.2143.5-173.383.90000112.3R133 R139 D142R133-S137 WeakPolarHBondContact O-CB 3.4Å; R133-S137 PolarHBondContact O-N 3.21Å; R133-S137 PolarHBondContact O-OG 3.15Å; R133-S137 VanDerWaalsContact O-OG 3.04Å; S137-R139 PolarHBondContact O-N 3.33Å; S137-R139 VanDerWaalsContact O-N 3.15Å; S137-D142 PolarHBondContact OG-OD2 2.81Å
138N87.4Confident92.1Very high173 Ų17372.2 Ų72.293%0.92536%0.361SS*.  trans-82.925.6173.1-64.6-30.7000112.6V140N138-V140 PolarHBondContact O-N 2.9Å
139R89.5Confident92.1Very high77 Ų7768.7 Ų68.729%0.29135%0.346SS..  trans-79.8110.9-179.4-76-174.4175.5176.81109.7D42 S137 D141 D142D42-R139 IonicContact OD1-NH2 3.83Å; S137-R139 PolarHBondContact O-N 3.33Å; S137-R139 VanDerWaalsContact O-N 3.15Å; R139-D141 WeakPolarHBondContact CB-OD1 3.32Å; R139-D141 PolarHBondContact O-N 3.35Å; R139-D141 VanDerWaalsContact O-N 3.13Å; R139-D142 HydrophobicContact CB-CB 4.16Å; R139-D142 WeakPolarHBondContact CB-OD2 3.47Å; R139-D142 WeakPolarHBondContact CD-OD2 3.38Å; R139-D142 PolarHBondContact O-N 3.23Å
140V86.3Confident92Very high59 Ų5966 Ų6636%0.35834%0.336SS..G310 helixtrans-59.3-23.9177.3-60.10000113E63 N138 N143E63-V140 HydrophobicContact CG-CB 3.73Å; E63-V140 HydrophobicContact CG-CG2 3.73Å; N138-V140 PolarHBondContact O-N 2.9Å; V140-N143 PolarHBondContact O-ND2 3.47Å
141D89Confident92Very high9 Ų966.2 Ų66.25%0.04834%0.337CS..G310 helixtrans-91.29.6-178.366-45.6000114.8M62 R139 T146 R150M62-D141 WeakPolarHBondContact O-CB 3.16Å; R139-D141 WeakPolarHBondContact CB-OD1 3.32Å; R139-D141 PolarHBondContact O-N 3.35Å; R139-D141 VanDerWaalsContact O-N 3.13Å; D141-T146 HydrophobicContact CB-CG2 3.91Å; D141-T146 WeakPolarHBondContact O-CG2 3.48Å; D141-R150 WeakPolarHBondContact O-CD 3.39Å; D141-R150 PolarHBondContact O-NH1 3.42Å; D141-R150 IonicContact OD2-CZ 3.92Å; D141-R150 IonicContact OD2-NE 2.67Å; D141-R150 IonicContact OD2-NH1 3.19Å; D141-R150 PolarHBondContact OD2-NH1 2.68Å; D141-R150 IonicContact OD2-NH2 2.65Å; D141-R150 PolarHBondContact OD2-NH2 3.14Å
142D90.1Very high92.2Very high3 Ų370.6 Ų70.62%0.01635%0.349CS..G310 helixtrans-104.517.2178.2-76.4-18.1000113.7R133 A134 S137 R139 I147 R150R133-D142 IonicContact CZ-OD1 3.67Å; R133-D142 IonicContact CZ-OD2 2.71Å; R133-D142 VanDerWaalsContact CZ-OD2 3.26Å; R133-D142 IonicContact NE-OD1 3.83Å; R133-D142 IonicContact NE-OD2 2.68Å; R133-D142 PolarHBondContact NE-OD2 2.92Å; R133-D142 VanDerWaalsContact NH2-CG 3.28Å; R133-D142 IonicContact NH2-OD1 3.16Å; R133-D142 PolarHBondContact NH2-OD1 3.06Å; R133-D142 IonicContact NH2-OD2 3.92Å; R133-D142 PolarHBondContact NH2-OD2 3.47Å; A134-D142 HydrophobicContact CB-CB 4.08Å; A134-D142 VanDerWaalsContact CB-O 3.28Å; A134-D142 WeakPolarHBondContact CB-O 3.37Å; S137-D142 PolarHBondContact OG-OD2 2.81Å; R139-D142 HydrophobicContact CB-CB 4.16Å; R139-D142 WeakPolarHBondContact CB-OD2 3.47Å; R139-D142 WeakPolarHBondContact CD-OD2 3.38Å; R139-D142 PolarHBondContact O-N 3.23Å; D142-I147 WeakPolarHBondContact O-CD1 3.5Å; D142-R150 IonicContact OD1-CZ 3.34Å; D142-R150 IonicContact OD1-NH1 2.65Å; D142-R150 PolarHBondContact OD1-NH1 3.3Å
143N88.3Confident92.2Very high66 Ų6665.9 Ų65.935%0.35333%0.331SS..SBendtrans-80.1157.8168.773.176.5000111.8V140 E145 T146 I147V140-N143 PolarHBondContact O-ND2 3.47Å; N143-E145 PolarHBondContact O-N 3.4Å; N143-E145 PolarHBondContact OD1-N 3.16Å; N143-T146 WeakPolarHBondContact ND2-CB 3.49Å; N143-T146 PolarHBondContact ND2-OG1 3.43Å; N143-T146 PolarHBondContact O-N 2.96Å; N143-T146 PolarHBondContact OD1-N 3.34Å; N143-T146 PolarHBondContact OD1-OG1 2.73Å; N143-T146 VanDerWaalsContact OD1-OG1 3.1Å; N143-I147 VanDerWaalsContact O-CG1 3.27Å; N143-I147 WeakPolarHBondContact O-CG1 3.37Å; N143-I147 PolarHBondContact O-N 3.4Å
144E90.1Very high92.3Very high69 Ų6963.4 Ų63.432%0.32232%0.322SS..Hα-helixtrans-54.1-48.4-173-172.669.5-129.500113.6R127 L131 T146 I147 V148R127-E144 IonicContact CZ-OE1 2.57Å; R127-E144 IonicContact NE-OE1 3.47Å; R127-E144 PolarHBondContact NE-OE1 2.9Å; R127-E144 IonicContact NE-OE2 3.47Å; R127-E144 VanDerWaalsContact NH2-CD 3.31Å; R127-E144 IonicContact NH2-OE1 3.86Å; R127-E144 PolarHBondContact NH2-OE1 3.36Å; R127-E144 IonicContact NH2-OE2 3.35Å; L131-E144 WeakPolarHBondContact CD2-OE2 3.35Å; E144-T146 VanDerWaalsContact C-N 3.32Å; E144-T146 PolarHBondContact O-N 3.06Å; E144-I147 WeakPolarHBondContact O-CB 3.47Å; E144-I147 PolarHBondContact O-N 3.15Å; E144-V148 PolarHBondContact O-N 2.71Å; E144-V148 VanDerWaalsContact O-N 3.16Å
145E92.3Very high92.4Very high147 Ų14764.1 Ų64.169%0.68732%0.32SS*.Hα-helixtrans-62.4-42.1-178.7-63.5-176.7-178.900111.5N143 V148 K149N143-E145 PolarHBondContact O-N 3.4Å; N143-E145 PolarHBondContact OD1-N 3.16Å; E145-V148 PolarHBondContact O-N 2.87Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 3.27Å
146T93.9Very high92.6Very high4 Ų462.8 Ų62.83%0.02531%0.314CS..Hα-helixtrans-70.6-34.9178.4-54.50000111.8E63 D141 N143 E144 V148 K149 R150E63-T146 PolarHBondContact O-OG1 3.08Å; D141-T146 HydrophobicContact CB-CG2 3.91Å; D141-T146 WeakPolarHBondContact O-CG2 3.48Å; N143-T146 WeakPolarHBondContact ND2-CB 3.49Å; N143-T146 PolarHBondContact ND2-OG1 3.43Å; N143-T146 PolarHBondContact O-N 2.96Å; N143-T146 PolarHBondContact OD1-N 3.34Å; N143-T146 PolarHBondContact OD1-OG1 2.73Å; N143-T146 VanDerWaalsContact OD1-OG1 3.1Å; E144-T146 VanDerWaalsContact C-N 3.32Å; E144-T146 PolarHBondContact O-N 3.06Å; T146-V148 PolarHBondContact O-N 3.47Å; T146-K149 PolarHBondContact O-N 3.04Å; T146-R150 HydrophobicContact CG2-CG 4.27Å; T146-R150 WeakPolarHBondContact O-CB 3.36Å; T146-R150 WeakPolarHBondContact O-CG 3.4Å; T146-R150 PolarHBondContact O-N 3.07Å
147I95Very high92.9Very high0 Ų060.3 Ų60.30%030%0.296CS..Hα-helixtrans-58.2-48.7174.4-73166.9000110.5R127 L130 L131 D142 N143 E144 K149 R150 F151R127-I147 HydrophobicContact CG-CG2 4.48Å; L130-I147 HydrophobicContact CB-CD1 3.65Å; L130-I147 HydrophobicContact CB-CG1 4.08Å; L130-I147 HydrophobicContact CD1-CB 4.37Å; L130-I147 HydrophobicContact CD1-CD1 4.43Å; L130-I147 HydrophobicContact CD1-CG1 3.99Å; L130-I147 HydrophobicContact CD1-CG2 3.66Å; L131-I147 HydrophobicContact CD2-CD1 3.93Å; L131-I147 HydrophobicContact CG-CD1 4.44Å; D142-I147 WeakPolarHBondContact O-CD1 3.5Å; N143-I147 VanDerWaalsContact O-CG1 3.27Å; N143-I147 WeakPolarHBondContact O-CG1 3.37Å; N143-I147 PolarHBondContact O-N 3.4Å; E144-I147 WeakPolarHBondContact O-CB 3.47Å; E144-I147 PolarHBondContact O-N 3.15Å; I147-K149 VanDerWaalsContact C-N 3.33Å; I147-K149 PolarHBondContact O-N 2.72Å; I147-R150 PolarHBondContact O-N 3.45Å; I147-R150 VanDerWaalsContact O-N 3.13Å; I147-F151 HydrophobicContact CG2-CD2 3.94Å; I147-F151 HydrophobicContact CG2-CE2 3.35Å; I147-F151 HydrophobicContact CG2-CZ 3.75Å; I147-F151 PolarHBondContact O-N 2.96Å
148V95.1Very high93.3Very high83 Ų8359.2 Ų59.250%0.50329%0.288SS..Hα-helixtrans-58.8-45.6178.6174.60000111.1E144 E145 T146 R150 F151 R152E144-V148 PolarHBondContact O-N 2.71Å; E144-V148 VanDerWaalsContact O-N 3.16Å; E145-V148 PolarHBondContact O-N 2.87Å; T146-V148 PolarHBondContact O-N 3.47Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.33Å; V148-F151 PolarHBondContact O-N 2.96Å; V148-R152 PolarHBondContact O-N 3.04Å
149K95.4Very high93.8Very high92 Ų9255.3 Ų55.340%0.426%0.263SS..Hα-helixtrans-63.2-38.4177-68.3177.8-174.5173.80112.2R64 E145 T146 I147 R152 T153R64-K149 WeakPolarHBondContact O-CD 3.5Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 3.27Å; T146-K149 PolarHBondContact O-N 3.04Å; I147-K149 VanDerWaalsContact C-N 3.33Å; I147-K149 PolarHBondContact O-N 2.72Å; K149-R152 WeakPolarHBondContact O-CB 3.28Å; K149-R152 PolarHBondContact O-N 2.88Å; K149-T153 WeakPolarHBondContact O-CB 3.35Å; K149-T153 PolarHBondContact O-N 3.45Å; K149-T153 PolarHBondContact O-OG1 3.44Å; K149-T153 VanDerWaalsContact O-OG1 3.09Å
150R95.4Very high94.2Very high24 Ų2454.4 Ų54.49%0.09127%0.266CS..Hα-helixtrans-68-34.1176.9-69.4168.267.2-171.311.7112.4P18 D141 D142 T146 I147 V148 F154P18-R150 HydrophobicContact CB-CB 4.26Å; P18-R150 HydrophobicContact CG-CB 3.83Å; D141-R150 WeakPolarHBondContact O-CD 3.39Å; D141-R150 PolarHBondContact O-NH1 3.42Å; D141-R150 IonicContact OD2-CZ 3.92Å; D141-R150 IonicContact OD2-NE 2.67Å; D141-R150 IonicContact OD2-NH1 3.19Å; D141-R150 PolarHBondContact OD2-NH1 2.68Å; D141-R150 IonicContact OD2-NH2 2.65Å; D141-R150 PolarHBondContact OD2-NH2 3.14Å; D142-R150 IonicContact OD1-CZ 3.34Å; D142-R150 IonicContact OD1-NH1 2.65Å; D142-R150 PolarHBondContact OD1-NH1 3.3Å; T146-R150 HydrophobicContact CG2-CG 4.27Å; T146-R150 WeakPolarHBondContact O-CB 3.36Å; T146-R150 WeakPolarHBondContact O-CG 3.4Å; T146-R150 PolarHBondContact O-N 3.07Å; I147-R150 PolarHBondContact O-N 3.45Å; I147-R150 VanDerWaalsContact O-N 3.13Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.33Å; R150-F154 WeakPolarHBondContact O-CB 3.46Å; R150-F154 PolarHBondContact O-N 3.32Å
151F96.5Very high94.8Very high5 Ų551.6 Ų51.62%0.02225%0.249CC..Hα-helixtrans-64.7-45.3170.2-68.4-37.9000111.6P18 E123 M126 R127 L130 I147 V148 F154 N155P18-F151 HydrophobicContact CG-CD1 3.51Å; P18-F151 HydrophobicContact CG-CE1 3.56Å; E123-F151 HydrophobicContact CG-CD1 4.08Å; E123-F151 HydrophobicContact CG-CD2 3.61Å; E123-F151 HydrophobicContact CG-CE1 4.13Å; E123-F151 HydrophobicContact CG-CE2 3.67Å; E123-F151 HydrophobicContact CG-CG 3.84Å; E123-F151 HydrophobicContact CG-CZ 3.95Å; M126-F151 HydrophobicContact CB-CE1 3.61Å; M126-F151 HydrophobicContact CB-CZ 3.8Å; M126-F151 HydrophobicContact CE-CD1 4.21Å; M126-F151 HydrophobicContact CE-CE1 3.97Å; M126-F151 HydrophobicContact SD-CE1 4.23Å; R127-F151 HydrophobicContact CB-CE2 3.88Å; R127-F151 HydrophobicContact CB-CZ 3.93Å; R127-F151 HydrophobicContact CG-CE2 4.27Å; L130-F151 HydrophobicContact CD1-CE1 3.91Å; L130-F151 HydrophobicContact CD1-CZ 3.69Å; I147-F151 HydrophobicContact CG2-CD2 3.94Å; I147-F151 HydrophobicContact CG2-CE2 3.35Å; I147-F151 HydrophobicContact CG2-CZ 3.75Å; I147-F151 PolarHBondContact O-N 2.96Å; V148-F151 PolarHBondContact O-N 2.96Å; F151-F154 PolarHBondContact O-N 3.22Å; F151-N155 WeakPolarHBondContact O-CB 3.36Å; F151-N155 PolarHBondContact O-N 3.16Å; F151-N155 PolarHBondContact O-ND2 2.78Å
152R96.3Very high95.2Very high156 Ų15651.6 Ų51.659%0.58925%0.249SC*.Hα-helixtrans-56.9-52.2174.9-175.2179.8176.4-173-4.2111.7V148 K149 F154 N155 E156V148-R152 PolarHBondContact O-N 3.04Å; K149-R152 WeakPolarHBondContact O-CB 3.28Å; K149-R152 PolarHBondContact O-N 2.88Å; R152-F154 VanDerWaalsContact C-N 3.3Å; R152-F154 PolarHBondContact O-N 3.24Å; R152-N155 PolarHBondContact O-N 3.46Å; R152-N155 VanDerWaalsContact O-N 3.14Å; R152-E156 VanDerWaalsContact CG-CD 3.44Å; R152-E156 HydrophobicContact CG-CG 4.18Å; R152-E156 VanDerWaalsContact CG-OE1 3.29Å; R152-E156 WeakPolarHBondContact CG-OE1 3.39Å; R152-E156 IonicContact CZ-OE1 4Å; R152-E156 IonicContact CZ-OE2 3.14Å; R152-E156 VanDerWaalsContact NE-CD 3.32Å; R152-E156 IonicContact NE-OE1 2.84Å; R152-E156 PolarHBondContact NE-OE1 3.27Å; R152-E156 IonicContact NE-OE2 3.56Å; R152-E156 PolarHBondContact NE-OE2 2.68Å; R152-E156 VanDerWaalsContact NE-OE2 3.16Å; R152-E156 IonicContact NH2-OE1 2.68Å; R152-E156 PolarHBondContact NH2-OE1 3Å; R152-E156 IonicContact NH2-OE2 2.78Å; R152-E156 WeakPolarHBondContact O-CB 3.45Å; R152-E156 WeakPolarHBondContact O-CG 3.47Å; R152-E156 PolarHBondContact O-N 2.86Å
153T95Very high95.6Very high26 Ų2655.9 Ų55.916%0.1627%0.269CS..Hα-helixtrans-55.6-44.1175.9-64.20000112L67 K149 L157 T158L67-T153 HydrophobicContact CD1-CG2 4.28Å; L67-T153 HydrophobicContact CD2-CG2 3.62Å; L67-T153 HydrophobicContact CG-CG2 3.79Å; K149-T153 WeakPolarHBondContact O-CB 3.35Å; K149-T153 PolarHBondContact O-N 3.45Å; K149-T153 PolarHBondContact O-OG1 3.44Å; K149-T153 VanDerWaalsContact O-OG1 3.09Å; T153-L157 HydrophobicContact CG2-CD1 4.34Å; T153-L157 WeakPolarHBondContact O-CA 3.48Å; T153-L157 WeakPolarHBondContact O-CB 3.32Å; T153-L157 PolarHBondContact O-N 2.84Å; T153-T158 PolarHBondContact O-N 3.42Å
154F96.2Very high96.1Very high17 Ų1755.2 Ų55.28%0.07526%0.264CS..Iπ-helixtrans-61.9-47.7176.7175.4-103.5000111.7G16 R150 F151 R152 T158 K159 I162G16-F154 VanDerWaalsContact C-CE2 3.4Å; R150-F154 WeakPolarHBondContact O-CB 3.46Å; R150-F154 PolarHBondContact O-N 3.32Å; F151-F154 PolarHBondContact O-N 3.22Å; R152-F154 VanDerWaalsContact C-N 3.3Å; R152-F154 PolarHBondContact O-N 3.24Å; F154-T158 HydrophobicContact CD2-CG2 3.71Å; F154-T158 HydrophobicContact CE2-CG2 3.82Å; F154-T158 CarbonylContact O-C 3.27Å; F154-T158 WeakPolarHBondContact O-CA 3.35Å; F154-T158 WeakPolarHBondContact O-CB 3.23Å; F154-T158 PolarHBondContact O-N 2.84Å; F154-T158 VanDerWaalsContact O-N 3.14Å; F154-K159 HydrophobicContact CE1-CG 4.23Å; F154-K159 HydrophobicContact CZ-CG 4.45Å; F154-K159 PolarHBondContact O-N 3.16Å; F154-I162 HydrophobicContact CE2-CD1 4.36Å; F154-I162 HydrophobicContact CZ-CD1 4.27Å
155N96.7Very high96.5Very high56 Ų5651.9 Ų51.930%0.29925%0.248SC..Iπ-helixtrans-66.4-41.7-178.2-75.2-36.7000112.8F151 R152 K159F151-N155 WeakPolarHBondContact O-CB 3.36Å; F151-N155 PolarHBondContact O-N 3.16Å; F151-N155 PolarHBondContact O-ND2 2.78Å; R152-N155 PolarHBondContact O-N 3.46Å; R152-N155 VanDerWaalsContact O-N 3.14Å; N155-K159 WeakPolarHBondContact OD1-CE 3.19Å; N155-K159 PolarHBondContact OD1-NZ 3.49Å
156E97.2Very high96.7Very high102 Ų10250.2 Ų50.248%0.47724%0.239SC..Iπ-helixtrans-85-37.8-174.5-68.2178.2178.900112.8R152 P160R152-E156 VanDerWaalsContact CG-CD 3.44Å; R152-E156 HydrophobicContact CG-CG 4.18Å; R152-E156 VanDerWaalsContact CG-OE1 3.29Å; R152-E156 WeakPolarHBondContact CG-OE1 3.39Å; R152-E156 IonicContact CZ-OE1 4Å; R152-E156 IonicContact CZ-OE2 3.14Å; R152-E156 VanDerWaalsContact NE-CD 3.32Å; R152-E156 IonicContact NE-OE1 2.84Å; R152-E156 PolarHBondContact NE-OE1 3.27Å; R152-E156 IonicContact NE-OE2 3.56Å; R152-E156 PolarHBondContact NE-OE2 2.68Å; R152-E156 VanDerWaalsContact NE-OE2 3.16Å; R152-E156 IonicContact NH2-OE1 2.68Å; R152-E156 PolarHBondContact NH2-OE1 3Å; R152-E156 IonicContact NH2-OE2 2.78Å; R152-E156 WeakPolarHBondContact O-CB 3.45Å; R152-E156 WeakPolarHBondContact O-CG 3.47Å; R152-E156 PolarHBondContact O-N 2.86Å; E156-P160 WeakPolarHBondContact O-CG 3.42Å
157L97.1Very high96.9Very high67 Ų6757.5 Ų57.535%0.35127%0.272SS..Iπ-helixtrans-114.7-37.4-169.2-55.2-178.6000113.5L67 R98 E99 T153 P160L67-L157 HydrophobicContact CD1-CD1 3.5Å; L67-L157 HydrophobicContact CG-CD1 4.32Å; R98-L157 CarbonylContact O-C 3.59Å; R98-L157 VanDerWaalsContact O-C 3.27Å; E99-L157 HydrophobicContact CB-CB 4.22Å; T153-L157 HydrophobicContact CG2-CD1 4.34Å; T153-L157 WeakPolarHBondContact O-CA 3.48Å; T153-L157 WeakPolarHBondContact O-CB 3.32Å; T153-L157 PolarHBondContact O-N 2.84Å; L157-P160 WeakPolarHBondContact O-CD 3.21Å
158T97.1Very high97Very high8 Ų860.9 Ų60.95%0.04929%0.289CS..Iπ-helixtrans-83-35.9-178.9-49.70000112.7L15 R98 T153 F154 V161 I162L15-T158 HydrophobicContact CD1-CG2 4.49Å; R98-T158 WeakPolarHBondContact O-CA 3.44Å; R98-T158 PolarHBondContact O-N 3.25Å; R98-T158 PolarHBondContact O-OG1 3.48Å; T153-T158 PolarHBondContact O-N 3.42Å; F154-T158 HydrophobicContact CD2-CG2 3.71Å; F154-T158 HydrophobicContact CE2-CG2 3.82Å; F154-T158 CarbonylContact O-C 3.27Å; F154-T158 WeakPolarHBondContact O-CA 3.35Å; F154-T158 WeakPolarHBondContact O-CB 3.23Å; F154-T158 PolarHBondContact O-N 2.84Å; F154-T158 VanDerWaalsContact O-N 3.14Å; T158-V161 WeakPolarHBondContact O-CB 3.39Å; T158-V161 PolarHBondContact O-N 3.41Å; T158-I162 PolarHBondContact O-N 2.89Å
159K97Very high97.1Very high92 Ų9263.8 Ų63.840%0.430%0.301SS..Hα-helixtrans-57.4-42.2175.3-76.7-175.6173.21680113.6F154 N155 V161 I162 E163F154-K159 HydrophobicContact CE1-CG 4.23Å; F154-K159 HydrophobicContact CZ-CG 4.45Å; F154-K159 PolarHBondContact O-N 3.16Å; N155-K159 WeakPolarHBondContact OD1-CE 3.19Å; N155-K159 PolarHBondContact OD1-NZ 3.49Å; K159-V161 PolarHBondContact O-N 2.95Å; K159-I162 WeakPolarHBondContact O-CB 3.39Å; K159-I162 PolarHBondContact O-N 3.09Å; K159-E163 PolarHBondContact O-N 3.48Å
160P98.3Very high97.2Very high57 Ų5761.3 Ų61.337%0.3729%0.29SS..Hα-helixtrans-55.4-32.3172.2-29.735.5000115E156 L157 E163 H164E156-P160 WeakPolarHBondContact O-CG 3.42Å; L157-P160 WeakPolarHBondContact O-CD 3.21Å; P160-E163 PolarHBondContact O-N 3.28Å; P160-H164 WeakPolarHBondContact O-CB 3.47Å; P160-H164 PolarHBondContact O-N 2.88Å
161V98.6Very high97.3Very high0 Ų061.4 Ų61.40%029%0.294CS..Hα-helixtrans-61.4-48173.1179.30000110.5L15 P97 E99 T158 K159 E163 H164 Y165L15-V161 HydrophobicContact CD1-CB 4.26Å; L15-V161 HydrophobicContact CD1-CG1 3.64Å; P97-V161 HydrophobicContact CB-CG1 4.49Å; P97-V161 HydrophobicContact CG-CG1 3.66Å; E99-V161 WeakPolarHBondContact O-CG2 3.45Å; T158-V161 WeakPolarHBondContact O-CB 3.39Å; T158-V161 PolarHBondContact O-N 3.41Å; K159-V161 PolarHBondContact O-N 2.95Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 2.97Å; V161-H164 PolarHBondContact O-N 3.19Å; V161-Y165 HydrophobicContact CG1-CD2 3.83Å; V161-Y165 HydrophobicContact CG1-CE2 3.84Å; V161-Y165 VanDerWaalsContact O-CD2 3.3Å; V161-Y165 WeakPolarHBondContact O-CD2 3.29Å; V161-Y165 PolarHBondContact O-N 3.13Å; V161-Y165 VanDerWaalsContact O-N 3.11Å
162I98.1Very high97.4Very high9 Ų961.5 Ų61.55%0.04629%0.294CS..Hα-helixtrans-60.6-47.2-179.2-61.8163.4000109.1L15 N118 F154 T158 K159 H164 Y165 K166 V171L15-I162 HydrophobicContact CD1-CG1 3.88Å; N118-I162 HydrophobicContact CB-CD1 4.44Å; N118-I162 HydrophobicContact CB-CG2 4.4Å; N118-I162 VanDerWaalsContact OD1-CD1 3.26Å; N118-I162 WeakPolarHBondContact OD1-CD1 3.48Å; F154-I162 HydrophobicContact CE2-CD1 4.36Å; F154-I162 HydrophobicContact CZ-CD1 4.27Å; T158-I162 PolarHBondContact O-N 2.89Å; K159-I162 WeakPolarHBondContact O-CB 3.39Å; K159-I162 PolarHBondContact O-N 3.09Å; I162-H164 PolarHBondContact O-N 3.13Å; I162-Y165 PolarHBondContact O-N 3.37Å; I162-K166 WeakPolarHBondContact O-CB 3.49Å; I162-K166 PolarHBondContact O-N 3.24Å; I162-V171 HydrophobicContact CG2-CG1 4.1Å; I162-V171 HydrophobicContact CG2-CG2 4.46Å; I162-V171 WeakPolarHBondContact O-CG2 3.27Å
163E98.1Very high97.5Very high94 Ų9457.9 Ų57.944%0.43929%0.289SS..Hα-helixtrans-62.9-40.3178.6-64.9-52.2128.400112.6K159 P160 V161 Y165 K166 Q167K159-E163 PolarHBondContact O-N 3.48Å; P160-E163 PolarHBondContact O-N 3.28Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 2.97Å; E163-Y165 PolarHBondContact O-N 3.14Å; E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 3.24Å; E163-K166 IonicContact OE1-NZ 2.72Å; E163-K166 IonicContact OE2-NZ 3.53Å; E163-Q167 WeakPolarHBondContact O-CG 3.42Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.11Å
164H98.6Very high97.6Very high51 Ų5156.9 Ų56.924%0.23628%0.283CS..Hα-helixtrans-58.8-47.8176.2176.478000112.8L100 P160 V161 I162 Q168L100-H164 HydrophobicContact CD1-CB 3.54Å; L100-H164 VanDerWaalsContact CD1-CG 3.45Å; P160-H164 WeakPolarHBondContact O-CB 3.47Å; P160-H164 PolarHBondContact O-N 2.88Å; V161-H164 PolarHBondContact O-N 3.19Å; I162-H164 PolarHBondContact O-N 3.13Å; H164-Q168 PolarHBondContact CD2-NE2 2.92Å; H164-Q168 PolarHBondContact NE2-NE2 3.4Å
165Y98.3Very high97.7Very high0 Ų059.7 Ų59.70%030%0.299CS..Hα-helixtrans-76.6-23.8178.7-73.6-69.1000113.1F13 P97 C113 V116 V161 I162 E163 Q168 N169 K170F13-Y165 HydrophobicContact CD2-CE2 4.39Å; F13-Y165 HydrophobicContact CE2-CE2 4.45Å; P97-Y165 HydrophobicContact CG-CE2 4.47Å; C113-Y165 WeakPolarHBondContact SG-CE1 3.47Å; V116-Y165 HydrophobicContact CG2-CD1 4.22Å; V116-Y165 HydrophobicContact CG2-CD2 3.76Å; V116-Y165 HydrophobicContact CG2-CE2 4.38Å; V116-Y165 HydrophobicContact CG2-CG 3.65Å; V161-Y165 HydrophobicContact CG1-CD2 3.83Å; V161-Y165 HydrophobicContact CG1-CE2 3.84Å; V161-Y165 VanDerWaalsContact O-CD2 3.3Å; V161-Y165 WeakPolarHBondContact O-CD2 3.29Å; V161-Y165 PolarHBondContact O-N 3.13Å; V161-Y165 VanDerWaalsContact O-N 3.11Å; I162-Y165 PolarHBondContact O-N 3.37Å; E163-Y165 PolarHBondContact O-N 3.14Å; Y165-Q168 PolarHBondContact O-N 2.99Å; Y165-Q168 VanDerWaalsContact O-N 3.14Å; Y165-N169 PolarHBondContact O-N 3.3Å; Y165-K170 HydrophobicContact CD1-CD 4.08Å; Y165-K170 PolarHBondContact O-N 3.29Å; Y165-K170 VanDerWaalsContact O-N 3.08Å
166K97.7Very high97.8Very high111 Ų11157 Ų5748%0.48329%0.285SS..Hα-helixtrans-65.6-40.6174.5-172.8-177.8-177.5-176.80111I162 E163 Q168 N169 V171I162-K166 WeakPolarHBondContact O-CB 3.49Å; I162-K166 PolarHBondContact O-N 3.24Å; E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 3.24Å; E163-K166 IonicContact OE1-NZ 2.72Å; E163-K166 IonicContact OE2-NZ 3.53Å; K166-Q168 PolarHBondContact O-N 3.46Å; K166-Q168 VanDerWaalsContact O-N 3.13Å; K166-N169 PolarHBondContact O-N 3.15Å; K166-V171 HydrophobicContact CB-CB 4.24Å; K166-V171 HydrophobicContact CB-CG2 3.99Å; K166-V171 VanDerWaalsContact N-CG2 3.29Å
167Q97.8Very high97.8Very high157 Ų15755.6 Ų55.673%0.73429%0.286SS*.THydrogen-bonded Turntrans-60.2-20.4172.9-69.3172.4-3.900113.2E163E163-Q167 WeakPolarHBondContact O-CG 3.42Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.11Å
168Q97Very high97.7Very high72 Ų7254.3 Ų54.334%0.33629%0.289SS..THydrogen-bonded Turntrans-96.87.2177-57.3177.431.800113.3H164 Y165 K166 K170H164-Q168 PolarHBondContact CD2-NE2 2.92Å; H164-Q168 PolarHBondContact NE2-NE2 3.4Å; Y165-Q168 PolarHBondContact O-N 2.99Å; Y165-Q168 VanDerWaalsContact O-N 3.14Å; K166-Q168 PolarHBondContact O-N 3.46Å; K166-Q168 VanDerWaalsContact O-N 3.13Å; Q168-K170 HydrophobicContact CB-CD 4.4Å; Q168-K170 HydrophobicContact CB-CG 4.17Å; Q168-K170 PolarHBondContact O-N 3.34Å
169N96.5Very high97.7Very high143 Ų14358.5 Ų58.577%0.76532%0.315SS*.THydrogen-bonded Turntrans57.628.8-174.4-55.3-58.9000113.9Y165 K166Y165-N169 PolarHBondContact O-N 3.3Å; K166-N169 PolarHBondContact O-N 3.15Å
170K97.3Very high97.8Very high40 Ų4057.1 Ų57.117%0.17431%0.314CS..  trans-100.6-5.3-178.8-72.6-172-178.7-173.60114.2E107 C113 C115 V116 Y165 Q168E107-K170 IonicContact OE1-NZ 2.7Å; E107-K170 PolarHBondContact OE1-NZ 3.21Å; C113-K170 PolarHBondContact O-NZ 3.22Å; C115-K170 CarbonylContact C-O 3.52Å; C115-K170 VanDerWaalsContact CA-O 3.28Å; C115-K170 WeakPolarHBondContact CA-O 3.37Å; C115-K170 VanDerWaalsContact CB-O 3.26Å; C115-K170 WeakPolarHBondContact CB-O 2.81Å; V116-K170 PolarHBondContact N-O 2.62Å; Y165-K170 HydrophobicContact CD1-CD 4.08Å; Y165-K170 PolarHBondContact O-N 3.29Å; Y165-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 HydrophobicContact CB-CD 4.4Å; Q168-K170 HydrophobicContact CB-CG 4.17Å; Q168-K170 PolarHBondContact O-N 3.34Å
171V98.3Very high97.8Very high27 Ų2758.8 Ų58.816%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-96.4126.4-173.2175.40000111.9V116 N118 I162 K166V116-V171 HydrophobicContact CB-CG2 4.12Å; V116-V171 CarbonylContact O-C 3.58Å; V116-V171 WeakPolarHBondContact O-CA 3.42Å; N118-V171 HydrophobicContact CB-CG1 4.21Å; I162-V171 HydrophobicContact CG2-CG1 4.1Å; I162-V171 HydrophobicContact CG2-CG2 4.46Å; I162-V171 WeakPolarHBondContact O-CG2 3.27Å; K166-V171 HydrophobicContact CB-CB 4.24Å; K166-V171 HydrophobicContact CB-CG2 3.99Å; K166-V171 VanDerWaalsContact N-CG2 3.29Å
172I98Very high97.8Very high7 Ų760.9 Ų60.94%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-101.1111165.4-59.1165.6000107.2V116 N118 I174 E190 L191 F194V116-I172 PolarHBondContact O-N 3Å; N118-I172 PolarHBondContact N-O 3.16Å; I172-I174 HydrophobicContact CG2-CD1 3.65Å; I172-I174 HydrophobicContact CG2-CG1 3.98Å; I172-E190 HydrophobicContact CB-CB 4.47Å; I172-E190 HydrophobicContact CD1-CB 4Å; I172-E190 HydrophobicContact CG1-CB 4.22Å; I172-E190 HydrophobicContact CG2-CB 3.42Å; I172-E190 VanDerWaalsContact CG2-CB 3.42Å; I172-E190 HydrophobicContact CG2-CG 3.66Å; I172-L191 HydrophobicContact CD1-CD2 3.96Å; I172-F194 HydrophobicContact CD1-CD2 3.69Å; I172-F194 HydrophobicContact CD1-CE2 3.59Å; I172-F194 HydrophobicContact CD1-CZ 4.43Å; I172-F194 HydrophobicContact CG1-CD2 4.17Å; I172-F194 HydrophobicContact CG1-CE2 3.52Å; I172-F194 HydrophobicContact CG1-CZ 4.14Å
173T98.1Very high97.8Very high79 Ų7960.9 Ų60.949%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-95.5126.2174.5-61.10000110.3N118 D120N118-T173 WeakPolarHBondContact O-CA 3.48Å; D120-T173 HydrophobicContact CB-CG2 3.96Å
174I98.4Very high97.8Very high6 Ų657.7 Ų57.73%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-119.3121.6-178.1-55.8-65.9000108.8I117 N118 F119 D120 I172 A176 I183 K186 V187 E190I117-I174 HydrophobicContact CG2-CG1 4.25Å; N118-I174 PolarHBondContact O-N 3.23Å; F119-I174 HydrophobicContact CD1-CB 4.07Å; F119-I174 HydrophobicContact CD1-CG2 4.18Å; F119-I174 HydrophobicContact CE1-CB 4.19Å; F119-I174 HydrophobicContact CE1-CG2 4.13Å; D120-I174 PolarHBondContact N-O 3.24Å; I172-I174 HydrophobicContact CG2-CD1 3.65Å; I172-I174 HydrophobicContact CG2-CG1 3.98Å; I174-A176 PolarHBondContact O-N 3.26Å; I174-I183 HydrophobicContact CG2-CG2 3.83Å; I174-K186 HydrophobicContact CD1-CB 4.07Å; I174-K186 HydrophobicContact CG2-CB 4.39Å; I174-V187 HydrophobicContact CB-CG2 4.49Å; I174-V187 HydrophobicContact CD1-CG2 4.26Å; I174-V187 HydrophobicContact CG1-CG2 3.86Å; I174-V187 HydrophobicContact CG2-CG2 4.16Å; I174-E190 HydrophobicContact CD1-CG 4.16Å
175D98.1Very high97.7Very high76 Ų7659.9 Ų59.941%0.40634%0.335SS..EExtended strand (participates in β ladder)trans-63.8112.9166.7170.613.2000109.9S177D175-S177 VanDerWaalsContact CG-OG 3.27Å; D175-S177 WeakPolarHBondContact OD1-CB 3.48Å; D175-S177 PolarHBondContact OD1-N 3.32Å; D175-S177 PolarHBondContact OD1-OG 3.41Å; D175-S177 PolarHBondContact OD2-OG 3.07Å
176A98.2Very high97.7Very high0 Ų064.5 Ų64.50%036%0.355CS..  trans-99.720.7-176.200000113.5S20 F119 D120 V121 R129 I174 I183S20-A176 WeakPolarHBondContact O-CB 3.2Å; F119-A176 HydrophobicContact CB-CB 4.03Å; F119-A176 HydrophobicContact CD1-CB 4.08Å; D120-A176 PolarHBondContact O-N 2.65Å; V121-A176 HydrophobicContact CB-CB 4.09Å; V121-A176 HydrophobicContact CG1-CB 4.24Å; R129-A176 PolarHBondContact NH1-O 2.74Å; R129-A176 PolarHBondContact NH2-O 3.14Å; I174-A176 PolarHBondContact O-N 3.26Å; A176-I183 HydrophobicContact CB-CD1 4.24Å
177S96.5Very high97.7Very high71 Ų7159.3 Ų59.350%0.49733%0.333SS..SBendtrans-79.1-22.9174.967.30000114D175D175-S177 VanDerWaalsContact CG-OG 3.27Å; D175-S177 WeakPolarHBondContact OD1-CB 3.48Å; D175-S177 PolarHBondContact OD1-N 3.32Å; D175-S177 PolarHBondContact OD1-OG 3.41Å; D175-S177 PolarHBondContact OD2-OG 3.07Å
178G95.5Very high97.7Very high41 Ų4153.4 Ų53.442%0.42331%0.306SS..SBendtrans-78.8-166-17600000115.9I183G178-I183 WeakPolarHBondContact O-CD1 3.41Å
179T97.7Very high97.7Very high95 Ų9554.9 Ų54.958%0.58331%0.313SS*.  trans-73.1157.6174.266.10000111.3D181 A182 I183T179-D181 VanDerWaalsContact C-N 3.28Å; T179-D181 PolarHBondContact O-N 3.4Å; T179-A182 PolarHBondContact O-N 3.27Å; T179-A182 WeakPolarHBondContact OG1-CB 3.48Å; T179-A182 PolarHBondContact OG1-N 3.34Å; T179-I183 WeakPolarHBondContact O-CD1 3.35Å; T179-I183 VanDerWaalsContact O-CG1 3.23Å; T179-I183 WeakPolarHBondContact O-CG1 3.41Å; T179-I183 PolarHBondContact O-N 3.1Å
180V97.9Very high97.7Very high63 Ų6350.7 Ų50.738%0.38229%0.289SS..Hα-helixtrans-56.1-43.4-179.2-177.60000111.6T24 Q25 K28 F184T24-V180 HydrophobicContact CG2-CG1 3.64Å; T24-V180 HydrophobicContact CG2-CG2 4.09Å; Q25-V180 PolarHBondContact NE2-O 3.06Å; K28-V180 HydrophobicContact CD-CG1 3.82Å; K28-V180 VanDerWaalsContact CE-CG1 3.41Å; V180-F184 WeakPolarHBondContact O-CB 3.29Å; V180-F184 PolarHBondContact O-N 3.02Å
181D98.3Very high97.6Very high93 Ų9348.8 Ų48.850%0.49728%0.28SS..Hα-helixtrans-70.8-42.6-179.2-63-38.5000112.2K28 T179 I183 F184 D185K28-D181 WeakPolarHBondContact CE-OD1 3.28Å; K28-D181 IonicContact NZ-OD1 2.73Å; K28-D181 PolarHBondContact NZ-OD1 3.18Å; T179-D181 VanDerWaalsContact C-N 3.28Å; T179-D181 PolarHBondContact O-N 3.4Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 2.64Å; D181-F184 WeakPolarHBondContact O-CB 3.48Å; D181-F184 PolarHBondContact O-N 3.15Å; D181-F184 VanDerWaalsContact O-N 3.1Å; D181-D185 PolarHBondContact O-N 3.35Å
182A98.3Very high97.4Very high43 Ų4352.2 Ų52.236%0.35529%0.294SS..Hα-helixtrans-64-35.8177.600000112.5T179 K186T179-A182 PolarHBondContact O-N 3.27Å; T179-A182 WeakPolarHBondContact OG1-CB 3.48Å; T179-A182 PolarHBondContact OG1-N 3.34Å; A182-K186 WeakPolarHBondContact O-CG 3.35Å; A182-K186 PolarHBondContact O-N 3.29Å
183I98.5Very high97.1Very high10 Ų1058 Ų585%0.05132%0.319CS..Hα-helixtrans-66.2-45.6172.9-66.2164.5000109.7Q25 F119 I174 A176 G178 T179 D181 D185 K186 V187Q25-I183 VanDerWaalsContact CD-CG2 3.46Å; Q25-I183 HydrophobicContact CG-CG2 3.83Å; F119-I183 HydrophobicContact CD1-CG2 4.07Å; F119-I183 HydrophobicContact CE1-CG2 3.64Å; I174-I183 HydrophobicContact CG2-CG2 3.83Å; A176-I183 HydrophobicContact CB-CD1 4.24Å; G178-I183 WeakPolarHBondContact O-CD1 3.41Å; T179-I183 WeakPolarHBondContact O-CD1 3.35Å; T179-I183 VanDerWaalsContact O-CG1 3.23Å; T179-I183 WeakPolarHBondContact O-CG1 3.41Å; T179-I183 PolarHBondContact O-N 3.1Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 2.64Å; I183-D185 PolarHBondContact O-N 2.84Å; I183-K186 PolarHBondContact O-N 2.91Å; I183-V187 HydrophobicContact CG2-CG2 4.4Å; I183-V187 VanDerWaalsContact O-CG2 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.22Å; I183-V187 PolarHBondContact O-N 3.45Å
184F98.4Very high96.7Very high26 Ų2657 Ų5711%0.11431%0.309CS..Hα-helixtrans-61.4-42.3-179.8177.9-103.9000112.3Q25 K28 L29 K32 V180 D181 K186 V187 N188Q25-F184 VanDerWaalsContact OE1-CA 3.26Å; K28-F184 HydrophobicContact CB-CD2 3.42Å; K28-F184 VanDerWaalsContact CB-CD2 3.42Å; K28-F184 HydrophobicContact CB-CE2 3.54Å; K28-F184 HydrophobicContact CB-CG 4.11Å; K28-F184 HydrophobicContact CB-CZ 4.31Å; K28-F184 HydrophobicContact CD-CB 3.78Å; K28-F184 HydrophobicContact CD-CD1 4.41Å; K28-F184 HydrophobicContact CD-CD2 3.93Å; K28-F184 HydrophobicContact CD-CG 3.77Å; K28-F184 HydrophobicContact CG-CD2 4.33Å; L29-F184 HydrophobicContact CD2-CD2 4.5Å; L29-F184 HydrophobicContact CD2-CE2 3.94Å; L29-F184 HydrophobicContact CG-CE2 4.28Å; K32-F184 HydrophobicContact CB-CZ 3.87Å; K32-F184 HydrophobicContact CG-CZ 4.13Å; V180-F184 WeakPolarHBondContact O-CB 3.29Å; V180-F184 PolarHBondContact O-N 3.02Å; D181-F184 WeakPolarHBondContact O-CB 3.48Å; D181-F184 PolarHBondContact O-N 3.15Å; D181-F184 VanDerWaalsContact O-N 3.1Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.12Å; F184-V187 PolarHBondContact O-N 3.28Å; F184-N188 HydrophobicContact CE1-CB 4.47Å; F184-N188 VanDerWaalsContact O-CB 3.31Å; F184-N188 WeakPolarHBondContact O-CB 2.97Å; F184-N188 PolarHBondContact O-N 3.07Å
185D97.9Very high96.3Very high98 Ų9859.4 Ų59.452%0.52434%0.335SS..Hα-helixtrans-60-41.8178.2-71.8-22.3000111.6D181 I183 N188 H189D181-D185 PolarHBondContact O-N 3.35Å; I183-D185 PolarHBondContact O-N 2.84Å; D185-N188 PolarHBondContact O-N 3.16Å; D185-H189 WeakPolarHBondContact O-CB 3.29Å; D185-H189 PolarHBondContact O-N 3.18Å
186K97.9Very high95.8Very high97 Ų9756.4 Ų56.442%0.42232%0.319SS..Hα-helixtrans-62.7-48173.9-66.9175.4-175.9-179.90111.3I174 A182 I183 F184 N188 H189 E190I174-K186 HydrophobicContact CD1-CB 4.07Å; I174-K186 HydrophobicContact CG2-CB 4.39Å; A182-K186 WeakPolarHBondContact O-CG 3.35Å; A182-K186 PolarHBondContact O-N 3.29Å; I183-K186 PolarHBondContact O-N 2.91Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.12Å; K186-N188 VanDerWaalsContact C-N 3.34Å; K186-N188 PolarHBondContact O-N 3.49Å; K186-H189 PolarHBondContact O-N 2.89Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å
187V97.9Very high94.9Very high1 Ų166.5 Ų66.51%0.00636%0.363CS..Hα-helixtrans-58.9-48178.4179.40000110.6L29 I117 F119 I174 I183 F184 H189 E190 L191L29-V187 HydrophobicContact CD1-CG1 4.12Å; L29-V187 HydrophobicContact CD2-CG1 3.83Å; L29-V187 HydrophobicContact CG-CG1 4.42Å; I117-V187 HydrophobicContact CD1-CG1 3.93Å; F119-V187 HydrophobicContact CE1-CG2 3.62Å; F119-V187 HydrophobicContact CZ-CG2 3.76Å; I174-V187 HydrophobicContact CB-CG2 4.49Å; I174-V187 HydrophobicContact CD1-CG2 4.26Å; I174-V187 HydrophobicContact CG1-CG2 3.86Å; I174-V187 HydrophobicContact CG2-CG2 4.16Å; I183-V187 HydrophobicContact CG2-CG2 4.4Å; I183-V187 VanDerWaalsContact O-CG2 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.22Å; I183-V187 PolarHBondContact O-N 3.45Å; F184-V187 PolarHBondContact O-N 3.28Å; V187-H189 VanDerWaalsContact C-N 3.35Å; V187-H189 PolarHBondContact O-N 3.4Å; V187-E190 PolarHBondContact O-N 3.45Å; V187-L191 HydrophobicContact CG1-CD1 3.88Å; V187-L191 HydrophobicContact CG1-CG 4.21Å; V187-L191 WeakPolarHBondContact O-CB 3.3Å; V187-L191 WeakPolarHBondContact O-CG 3.49Å; V187-L191 PolarHBondContact O-N 2.95Å
188N96.5Very high94.9Very high33 Ų3366.3 Ų66.318%0.17636%0.356CS..Hα-helixtrans-60-44179.5174.160.2000111.6F33 F184 D185 K186 Q192F33-N188 VanDerWaalsContact CZ-OD1 3.27Å; F33-N188 WeakPolarHBondContact CZ-OD1 3.5Å; F184-N188 HydrophobicContact CE1-CB 4.47Å; F184-N188 VanDerWaalsContact O-CB 3.31Å; F184-N188 WeakPolarHBondContact O-CB 2.97Å; F184-N188 PolarHBondContact O-N 3.07Å; D185-N188 PolarHBondContact O-N 3.16Å; K186-N188 VanDerWaalsContact C-N 3.34Å; K186-N188 PolarHBondContact O-N 3.49Å; N188-Q192 PolarHBondContact ND2-NE2 3.32Å; N188-Q192 WeakPolarHBondContact O-CG 3.37Å; N188-Q192 PolarHBondContact O-N 3.05Å
189H96.8Very high94.8Very high104 Ų10467.6 Ų67.648%0.48135%0.353SS..Hα-helixtrans-61.9-45.3176.4179.974000112.4D185 K186 V187 Q192 K193D185-H189 WeakPolarHBondContact O-CB 3.29Å; D185-H189 PolarHBondContact O-N 3.18Å; K186-H189 PolarHBondContact O-N 2.89Å; V187-H189 VanDerWaalsContact C-N 3.35Å; V187-H189 PolarHBondContact O-N 3.4Å; H189-Q192 PolarHBondContact O-N 3.27Å; H189-K193 WeakPolarHBondContact NE2-CE 3.5Å
190E96.8Very high94.7Very high55 Ų5566.1 Ų66.126%0.25734%0.34SS..Hα-helixtrans-68.8-39.1-179.9-67.1-58.3137.800112.4I172 I174 K186 V187 Q192 K193I172-E190 HydrophobicContact CB-CB 4.47Å; I172-E190 HydrophobicContact CD1-CB 4Å; I172-E190 HydrophobicContact CG1-CB 4.22Å; I172-E190 HydrophobicContact CG2-CB 3.42Å; I172-E190 VanDerWaalsContact CG2-CB 3.42Å; I172-E190 HydrophobicContact CG2-CG 3.66Å; I174-E190 HydrophobicContact CD1-CG 4.16Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å; V187-E190 PolarHBondContact O-N 3.45Å; E190-Q192 VanDerWaalsContact C-N 3.26Å; E190-Q192 PolarHBondContact O-N 3.37Å; E190-K193 VanDerWaalsContact O-CB 3.3Å; E190-K193 WeakPolarHBondContact O-CB 3.45Å; E190-K193 PolarHBondContact O-N 3.22Å; E190-K193 IonicContact OE1-NZ 2.66Å; E190-K193 PolarHBondContact OE1-NZ 2.95Å; E190-K193 WeakPolarHBondContact OE2-CD 3.5Å; E190-K193 WeakPolarHBondContact OE2-CE 2.9Å; E190-K193 IonicContact OE2-NZ 2.83Å; E190-K193 PolarHBondContact OE2-NZ 2.9Å
191L95.9Very high94.5Very high0 Ų066.3 Ų66.30%034%0.338CS..Hα-helixtrans-62.4-31.5178.3-79.3-178.9000113.3I12 L29 F33 I117 I172 V187 K193 F194 G195 V196I12-L191 HydrophobicContact CD1-CD2 3.89Å; L29-L191 HydrophobicContact CD2-CD1 3.61Å; F33-L191 HydrophobicContact CE2-CD1 4.16Å; I117-L191 HydrophobicContact CD1-CD1 4.16Å; I117-L191 HydrophobicContact CD1-CD2 4.1Å; I117-L191 HydrophobicContact CD1-CG 4.37Å; I117-L191 HydrophobicContact CG1-CD2 4.39Å; I172-L191 HydrophobicContact CD1-CD2 3.96Å; V187-L191 HydrophobicContact CG1-CD1 3.88Å; V187-L191 HydrophobicContact CG1-CG 4.21Å; V187-L191 WeakPolarHBondContact O-CB 3.3Å; V187-L191 WeakPolarHBondContact O-CG 3.49Å; V187-L191 PolarHBondContact O-N 2.95Å; L191-K193 PolarHBondContact O-N 3.5Å; L191-F194 CarbonylContact O-C 3.59Å; L191-F194 WeakPolarHBondContact O-CA 3.41Å; L191-F194 PolarHBondContact O-N 3Å; L191-G195 PolarHBondContact O-N 2.93Å; L191-V196 HydrophobicContact CB-CB 4.08Å; L191-V196 HydrophobicContact CB-CG1 4.33Å; L191-V196 HydrophobicContact CD2-CG2 4.38Å; L191-V196 WeakPolarHBondContact O-CB 3.39Å; L191-V196 PolarHBondContact O-N 3.2Å
192Q93.4Very high94.2Very high98 Ų9864.6 Ų64.646%0.45833%0.328SS..Hα-helixtrans-61.1-31.3174.5-71.3172.930.100112.6N188 H189 E190 F194 G195 V196N188-Q192 PolarHBondContact ND2-NE2 3.32Å; N188-Q192 WeakPolarHBondContact O-CG 3.37Å; N188-Q192 PolarHBondContact O-N 3.05Å; H189-Q192 PolarHBondContact O-N 3.27Å; E190-Q192 VanDerWaalsContact C-N 3.26Å; E190-Q192 PolarHBondContact O-N 3.37Å; Q192-F194 PolarHBondContact O-N 3.29Å; Q192-G195 PolarHBondContact O-N 3.17Å; Q192-V196 WeakPolarHBondContact CA-O 3.42Å
193K92.4Very high94Very high129 Ų12966.1 Ų66.156%0.56133%0.326SS*.Hα-helixtrans-67.1-21.8175.5-54.8177.2-172167.70112.4H189 E190 L191H189-K193 WeakPolarHBondContact NE2-CE 3.5Å; E190-K193 VanDerWaalsContact O-CB 3.3Å; E190-K193 WeakPolarHBondContact O-CB 3.45Å; E190-K193 PolarHBondContact O-N 3.22Å; E190-K193 IonicContact OE1-NZ 2.66Å; E190-K193 PolarHBondContact OE1-NZ 2.95Å; E190-K193 WeakPolarHBondContact OE2-CD 3.5Å; E190-K193 WeakPolarHBondContact OE2-CE 2.9Å; E190-K193 IonicContact OE2-NZ 2.83Å; E190-K193 PolarHBondContact OE2-NZ 2.9Å; L191-K193 PolarHBondContact O-N 3.5Å
194F90.4Very high93.6Very high58 Ų5870.1 Ų70.125%0.25435%0.345SS..THydrogen-bonded Turntrans-94.810.9174.5-71.9-96.1000113L114 C115 I172 L191 Q192 V196L114-F194 HydrophobicContact CD2-CB 4.48Å; C115-F194 HydrophobicContact CB-CD1 3.64Å; C115-F194 HydrophobicContact CB-CE1 3.59Å; C115-F194 HydrophobicContact CB-CG 4.14Å; C115-F194 HydrophobicContact CB-CZ 4.07Å; I172-F194 HydrophobicContact CD1-CD2 3.69Å; I172-F194 HydrophobicContact CD1-CE2 3.59Å; I172-F194 HydrophobicContact CD1-CZ 4.43Å; I172-F194 HydrophobicContact CG1-CD2 4.17Å; I172-F194 HydrophobicContact CG1-CE2 3.52Å; I172-F194 HydrophobicContact CG1-CZ 4.14Å; L191-F194 CarbonylContact O-C 3.59Å; L191-F194 WeakPolarHBondContact O-CA 3.41Å; L191-F194 PolarHBondContact O-N 3Å; Q192-F194 PolarHBondContact O-N 3.29Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 2.78Å
195G88.9Confident93.3Very high56 Ų5673.5 Ų73.558%0.57736%0.363SS*.THydrogen-bonded Turntrans74.914.3177.900000114.5L191 Q192L191-G195 PolarHBondContact O-N 2.93Å; Q192-G195 PolarHBondContact O-N 3.17Å
196V87.6Confident92.9Very high13 Ų1371.4 Ų71.48%0.07935%0.35CS..  trans-82.3122.2170.6177.60000108.2I12 F33 F35 L114 L191 Q192 F194I12-V196 HydrophobicContact CD1-CG2 4.06Å; F33-V196 HydrophobicContact CD1-CG1 3.89Å; F33-V196 HydrophobicContact CD2-CG1 4.48Å; F33-V196 HydrophobicContact CE1-CG1 3.89Å; F33-V196 HydrophobicContact CE2-CG1 4.48Å; F33-V196 HydrophobicContact CG-CG1 4.18Å; F33-V196 HydrophobicContact CZ-CG1 4.18Å; F35-V196 HydrophobicContact CE1-CG1 4.37Å; F35-V196 HydrophobicContact CE2-CG1 4.4Å; F35-V196 HydrophobicContact CZ-CG1 3.57Å; L114-V196 HydrophobicContact CD2-CG2 3.85Å; L191-V196 HydrophobicContact CB-CB 4.08Å; L191-V196 HydrophobicContact CB-CG1 4.33Å; L191-V196 HydrophobicContact CD2-CG2 4.38Å; L191-V196 WeakPolarHBondContact O-CB 3.39Å; L191-V196 PolarHBondContact O-N 3.2Å; Q192-V196 WeakPolarHBondContact CA-O 3.42Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 2.78Å
197K79.9Confident92.4Very high213 Ų21369.1 Ų69.193%0.92634%0.343SS*.  trans-135.40-176-64.3-175-178.8-178.40110.9F33F33-K197 WeakPolarHBondContact CE1-OXT 3.41Å

Retrieved 197 of 197 residues in 81.7 ms (Link to these results)

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