A0A077ZC00_TRITR Loading...

adenylate kinase

Catalyzes the phosphorylation of pyrimidine nucleoside monophosphates at the expense of ATP. Plays an important role in de novo pyrimidine nucleotide biosynthesis. Has preference for UMP and CMP as phosphate acceptors.

AlphaFold DB , UniProt , Accession A0A077ZC00, Species TRITR (Trichuris trichiura, Whipworm), 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
1M72.8Confident92Very high176 Ų17663.9 Ų63.987%0.86738%0.381SS*.  0136.90-164.1151.993.500107.9K5 T6M1-K5 HydrophobicContact CE-CB 4.39Å; M1-K5 HydrophobicContact CG-CB 3.31Å; M1-K5 HydrophobicContact CG-CD 4.25Å; M1-K5 HydrophobicContact CG-CG 4.34Å; M1-K5 HydrophobicContact SD-CB 4.06Å; M1-T6 VanDerWaalsContact CE-CA 3.47Å
2T87.9Confident92.5Very high64 Ų6459.4 Ų59.439%0.39335%0.354SS..  trans-67.9154.5-179.959.10000110.4L4 K5 T6T2-L4 PolarHBondContact O-N 2.91Å; T2-L4 VanDerWaalsContact O-N 3.17Å; T2-K5 PolarHBondContact O-N 3.24Å; T2-K5 WeakPolarHBondContact OG1-CG 3.3Å; T2-K5 PolarHBondContact OG1-N 2.73Å; T2-T6 PolarHBondContact O-N 3.26Å; T2-T6 PolarHBondContact O-OG1 3.21Å
3P92.2Very high93Very high79 Ų7954.8 Ų54.851%0.51333%0.326SS..Hα-helixtrans-54-35.9177.4-27.635.1000113.4T6 A7 L82 L85P3-T6 PolarHBondContact O-N 2.83Å; P3-A7 WeakPolarHBondContact O-CB 3.46Å; P3-A7 PolarHBondContact O-N 3.22Å; P3-L82 HydrophobicContact CB-CD2 3.89Å; P3-L82 HydrophobicContact CG-CD2 4.17Å; P3-L85 HydrophobicContact CB-CD2 4.2Å
4L94Very high93.4Very high15 Ų1550.9 Ų50.98%0.07930%0.303CS..Hα-helixtrans-65.5-42.7176.8-62.5174.8000112.6T2 T6 A7 A8 M81 L82 L85 I111T2-L4 PolarHBondContact O-N 2.91Å; T2-L4 VanDerWaalsContact O-N 3.17Å; L4-T6 VanDerWaalsContact C-N 3.34Å; L4-A7 PolarHBondContact O-N 3.27Å; L4-A8 PolarHBondContact O-N 3.07Å; L4-M81 HydrophobicContact CD1-CB 4.13Å; L4-M81 HydrophobicContact CD1-SD 4.33Å; L4-M81 HydrophobicContact CD2-CB 3.69Å; L4-M81 HydrophobicContact CD2-CE 4.28Å; L4-L82 HydrophobicContact CD1-CD2 4.45Å; L4-L82 HydrophobicContact CD1-CG 4.38Å; L4-L82 HydrophobicContact CD2-CD2 4.07Å; L4-L82 HydrophobicContact CD2-CG 4.37Å; L4-L82 HydrophobicContact CG-CD2 3.87Å; L4-L82 HydrophobicContact CG-CG 4.28Å; L4-L85 HydrophobicContact CD2-CD2 4.47Å; L4-I111 HydrophobicContact CB-CG2 4.05Å; L4-I111 HydrophobicContact CD1-CG1 4.07Å; L4-I111 HydrophobicContact CD1-CG2 3.96Å
5K93.4Very high93.8Very high73 Ų7347.7 Ų47.732%0.31728%0.284SS..Hα-helixtrans-63.8-41174.2-78.8-177.2179.5-175.70111.5M1 T2 A8 A109 E110 I111M1-K5 HydrophobicContact CE-CB 4.39Å; M1-K5 HydrophobicContact CG-CB 3.31Å; M1-K5 HydrophobicContact CG-CD 4.25Å; M1-K5 HydrophobicContact CG-CG 4.34Å; M1-K5 HydrophobicContact SD-CB 4.06Å; T2-K5 PolarHBondContact O-N 3.24Å; T2-K5 WeakPolarHBondContact OG1-CG 3.3Å; T2-K5 PolarHBondContact OG1-N 2.73Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A109 PolarHBondContact NZ-O 3.21Å; K5-E110 VanDerWaalsContact CE-O 3.29Å; K5-E110 WeakPolarHBondContact CE-O 3.41Å; K5-I111 WeakPolarHBondContact CE-O 3.48Å; K5-I111 WeakPolarHBondContact CG-O 3.48Å
6T94.2Very high94Very high90 Ų9045.3 Ų45.355%0.55227%0.272SS*.Hα-helixtrans-65.1-38.5178.1-55.50000112.5M1 T2 P3 L4 A8M1-T6 VanDerWaalsContact CE-CA 3.47Å; T2-T6 PolarHBondContact O-N 3.26Å; T2-T6 PolarHBondContact O-OG1 3.21Å; P3-T6 PolarHBondContact O-N 2.83Å; L4-T6 VanDerWaalsContact C-N 3.34Å; T6-A8 VanDerWaalsContact C-N 3.28Å; T6-A8 PolarHBondContact O-N 2.97Å
7A93.8Very high94.2Very high35 Ų3542.6 Ų42.629%0.28926%0.256SS..Hα-helixtrans-67.6-28.9179.400000113.2P3 L4 L9 L85P3-A7 WeakPolarHBondContact O-CB 3.46Å; P3-A7 PolarHBondContact O-N 3.22Å; L4-A7 PolarHBondContact O-N 3.27Å; A7-L9 HydrophobicContact CB-CD1 4.41Å; A7-L9 HydrophobicContact CB-CG 4.08Å; A7-L9 PolarHBondContact O-N 3.29Å; A7-L85 HydrophobicContact CB-CD1 3.54Å; A7-L85 HydrophobicContact CB-CD2 3.93Å; A7-L85 HydrophobicContact CB-CG 4.41Å
8A94.2Very high94.4Very high67 Ų6740.7 Ų40.755%0.55425%0.245SC*.  trans49.233.7176.400000114.2L4 K5 T6L4-A8 PolarHBondContact O-N 3.07Å; K5-A8 PolarHBondContact O-N 3.02Å; T6-A8 VanDerWaalsContact C-N 3.28Å; T6-A8 PolarHBondContact O-N 2.97Å
9L95.8Very high94.5Very high34 Ų3438.9 Ų38.918%0.17824%0.236CC..  trans-76148.9-178.9-63.6178.9000111.2A7 L85 S89 F92A7-L9 HydrophobicContact CB-CD1 4.41Å; A7-L9 HydrophobicContact CB-CG 4.08Å; A7-L9 PolarHBondContact O-N 3.29Å; L9-L85 HydrophobicContact CD1-CD1 3.84Å; L9-S89 WeakPolarHBondContact CD1-O 3.36Å; L9-F92 HydrophobicContact CB-CD2 4.41Å; L9-F92 HydrophobicContact CB-CE2 4.09Å; L9-F92 HydrophobicContact CD1-CE2 3.93Å; L9-F92 HydrophobicContact CD1-CZ 4.35Å
10P95.8Very high94.7Very high66 Ų6637 Ų3743%0.42922%0.224SC..  trans-63.5137.4178.825.5-33.7000111.4K90 G91 F92P10-K90 WeakPolarHBondContact CD-O 3.47Å; P10-G91 CarbonylContact O-C 3.51Å; P10-G91 WeakPolarHBondContact O-CA 3.47Å; P10-F92 PolarHBondContact O-N 2.9Å
11I98Very high94.9Very high4 Ų436.2 Ų36.22%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-122.2125.2178.6-60.2172.9000108.3F13 M81 F92 I94 F107 I111 L112 C114 A115I11-F13 HydrophobicContact CG2-CD1 4.09Å; I11-F13 HydrophobicContact CG2-CE1 3.84Å; I11-M81 HydrophobicContact CD1-CE 3.78Å; I11-M81 HydrophobicContact CG1-CE 4.21Å; I11-F92 HydrophobicContact CG1-CB 4.49Å; I11-F92 HydrophobicContact CG1-CD2 4.16Å; I11-I94 HydrophobicContact CG2-CG1 3.85Å; I11-F107 HydrophobicContact CD1-CE1 3.73Å; I11-F107 HydrophobicContact CD1-CZ 3.89Å; I11-F107 HydrophobicContact CG2-CE1 3.95Å; I11-F107 HydrophobicContact CG2-CZ 3.91Å; I11-I111 HydrophobicContact CD1-CG2 3.93Å; I11-L112 HydrophobicContact CD1-CB 3.9Å; I11-C114 HydrophobicContact CG2-CB 4.42Å; I11-C114 CarbonylContact O-C 3.53Å; I11-C114 WeakPolarHBondContact O-CA 3.26Å; I11-A115 PolarHBondContact O-N 3.48Å
12I98.3Very high96.1Very high10 Ų1029 Ų295%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-117.2121.9175.3-61.1173.5000107.8V14 L35 F92 L93 I94 H116 L118 M192 L195I12-V14 HydrophobicContact CG2-CG2 4.41Å; I12-L35 HydrophobicContact CD1-CD1 4.1Å; I12-F92 PolarHBondContact N-O 2.81Å; I12-L93 HydrophobicContact CB-CD2 4.04Å; I12-L93 HydrophobicContact CD1-CD2 4.42Å; I12-L93 HydrophobicContact CG2-CD2 4.15Å; I12-L93 WeakPolarHBondContact O-CA 3.49Å; I12-I94 PolarHBondContact O-N 3.09Å; I12-H116 VanDerWaalsContact CA-O 3.32Å; I12-H116 WeakPolarHBondContact CA-O 3.37Å; I12-H116 HydrophobicContact CG1-CB 4.49Å; I12-L118 HydrophobicContact CG2-CD1 4.08Å; I12-L118 HydrophobicContact CG2-CG 3.79Å; I12-M192 HydrophobicContact CD1-CE 3.67Å; I12-M192 HydrophobicContact CD1-SD 3.85Å; I12-L195 HydrophobicContact CD1-CD1 4.44Å
13F98.8Very high96.5Very high0 Ų027.4 Ų27.40%018%0.184CC..EExtended strand (participates in β ladder)trans-80.5140.2170.4-64.3-26.8000110.1I11 V15 I94 F97 P98 F107 E108 C114 H116 V117 L118 Y166I11-F13 HydrophobicContact CG2-CD1 4.09Å; I11-F13 HydrophobicContact CG2-CE1 3.84Å; F13-V15 HydrophobicContact CB-CG2 4.41Å; F13-I94 HydrophobicContact CD1-CB 3.93Å; F13-I94 HydrophobicContact CD1-CG1 4.03Å; F13-I94 HydrophobicContact CE1-CB 4.36Å; F13-I94 HydrophobicContact CE1-CG1 4.14Å; F13-F97 HydrophobicContact CE1-CD1 4.21Å; F13-F97 HydrophobicContact CE1-CE1 4.46Å; F13-F97 HydrophobicContact CZ-CE1 4.4Å; F13-P98 VanDerWaalsContact CD2-CD 3.42Å; F13-P98 HydrophobicContact CD2-CG 4.09Å; F13-P98 HydrophobicContact CE2-CG 4.27Å; F13-F107 AromaticContact CE1-CD1 3.77Å; F13-F107 HydrophobicContact CE1-CD1 3.77Å; F13-F107 HydrophobicContact CE1-CD2 4.18Å; F13-F107 AromaticContact CE1-CE1 3.68Å; F13-F107 HydrophobicContact CE1-CE1 3.68Å; F13-F107 HydrophobicContact CE1-CE2 4.09Å; F13-F107 HydrophobicContact CE1-CG 4.04Å; F13-F107 AromaticContact CE1-CZ 3.85Å; F13-F107 HydrophobicContact CE1-CZ 3.85Å; F13-F107 HydrophobicContact CZ-CB 4.23Å; F13-F107 AromaticContact CZ-CD1 3.39Å; F13-F107 HydrophobicContact CZ-CD1 3.39Å; F13-F107 HydrophobicContact CZ-CD2 4.3Å; F13-F107 AromaticContact CZ-CE1 3.75Å; F13-F107 HydrophobicContact CZ-CE1 3.75Å; F13-F107 AromaticContact CZ-CG 3.72Å; F13-F107 HydrophobicContact CZ-CG 3.72Å; F13-F107 HydrophobicContact CZ-CZ 4.34Å; F13-E108 HydrophobicContact CE2-CG 4.5Å; F13-C114 HydrophobicContact CD1-CB 4.23Å; F13-C114 HydrophobicContact CD2-CB 3.64Å; F13-C114 HydrophobicContact CE1-CB 4.21Å; F13-C114 HydrophobicContact CE2-CB 3.6Å; F13-C114 HydrophobicContact CG-CB 3.98Å; F13-C114 HydrophobicContact CZ-CB 3.91Å; F13-H116 PolarHBondContact N-O 3.32Å; F13-V117 HydrophobicContact CB-CB 4.45Å; F13-V117 HydrophobicContact CB-CG1 4.17Å; F13-V117 HydrophobicContact CB-CG2 4.05Å; F13-V117 HydrophobicContact CD2-CG2 4.12Å; F13-V117 CarbonylContact O-C 3.52Å; F13-V117 WeakPolarHBondContact O-CA 3.42Å; F13-L118 PolarHBondContact O-N 3Å; F13-Y166 HydrophobicContact CD2-CE2 4.31Å; F13-Y166 HydrophobicContact CE2-CE1 4.47Å; F13-Y166 AromaticContact CE2-CZ 3.9Å; F13-Y166 WeakPolarHBondContact CE2-OH 3.24Å
14V98.8Very high96.8Very high0 Ų027.2 Ų27.20%018%0.181CC..EExtended strand (participates in β ladder)trans-120.5106.3178.6-175.40000108.7I12 K22 L93 I94 D95 G96 L118 F120I12-V14 HydrophobicContact CG2-CG2 4.41Å; V14-K22 HydrophobicContact CG1-CB 3.87Å; V14-K22 HydrophobicContact CG1-CD 4Å; V14-K22 HydrophobicContact CG1-CG 3.79Å; V14-K22 WeakPolarHBondContact O-CD 3.38Å; V14-L93 HydrophobicContact CG2-CB 4.37Å; V14-L93 HydrophobicContact CG2-CD2 4.11Å; V14-I94 PolarHBondContact N-O 3.44Å; V14-D95 HydrophobicContact CB-CB 4.43Å; V14-G96 PolarHBondContact O-N 3.3Å; V14-L118 HydrophobicContact CG2-CB 4.48Å; V14-L118 HydrophobicContact CG2-CD1 4.42Å; V14-F120 HydrophobicContact CG1-CD2 3.83Å; V14-F120 HydrophobicContact CG1-CE2 3.54Å
15V98.6Very high97Very high2 Ų226.7 Ų26.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-116.6150.9-168.5179.30000110F13 V117 L118 F119 F120 T159 V162F13-V15 HydrophobicContact CB-CG2 4.41Å; V15-V117 HydrophobicContact CB-CG1 4.12Å; V15-V117 HydrophobicContact CG2-CG1 3.71Å; V15-L118 PolarHBondContact N-O 3.34Å; V15-F119 HydrophobicContact CG1-CD2 4.26Å; V15-F119 CarbonylContact O-C 3.59Å; V15-F119 WeakPolarHBondContact O-CA 3.16Å; V15-F120 PolarHBondContact O-N 3.03Å; V15-T159 HydrophobicContact CG1-CG2 3.89Å; V15-V162 HydrophobicContact CG1-CG1 4.3Å; V15-V162 HydrophobicContact CG2-CG1 4.21Å
16G98.2Very high97.2Very high9 Ų923.2 Ų23.29%0.09316%0.163CC..EExtended strand (participates in β ladder)trans155161.9-179.500000111.1K22G16-K22 PolarHBondContact O-NZ 3.23Å
17G97.8Very high97.4Very high1 Ų121.2 Ų21.21%0.0116%0.156CC..  trans-64.6168-177.100000114.4G19 S20 K22 M127G17-G19 PolarHBondContact O-N 3.4Å; G17-S20 VanDerWaalsContact O-CB 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.4Å; G17-S20 PolarHBondContact O-N 3.36Å; G17-S20 PolarHBondContact O-OG 2.83Å; G17-K22 PolarHBondContact O-NZ 3.3Å; G17-M127 VanDerWaalsContact CA-SD 3.52Å
18P96.9Very high97.6Very high7 Ų721.9 Ų21.95%0.04515%0.152CC..THydrogen-bonded Turntrans-58.2133.4173.430.1-37000109.3S20 M127 L131 R151 L152P18-S20 VanDerWaalsContact C-N 3.31Å; P18-S20 PolarHBondContact O-N 3.03Å; P18-M127 VanDerWaalsContact O-CB 3.27Å; P18-M127 WeakPolarHBondContact O-CB 3.43Å; P18-M127 VanDerWaalsContact O-CG 3.25Å; P18-M127 WeakPolarHBondContact O-CG 3.43Å; P18-L131 HydrophobicContact CB-CD1 3.81Å; P18-L131 HydrophobicContact CB-CD2 4.04Å; P18-L131 HydrophobicContact CG-CD1 3.99Å; P18-R151 HydrophobicContact CB-CB 4.28Å; P18-R151 HydrophobicContact CG-CB 3.96Å; P18-L152 HydrophobicContact CG-CD2 3.78Å; P18-L152 HydrophobicContact CG-CG 4.2Å
19G97.1Very high97.7Very high7 Ų718.7 Ų18.77%0.07213%0.126CC..THydrogen-bonded Turntrans79.65.5-179.100000115.3G17 G21 R130G17-G19 PolarHBondContact O-N 3.4Å; G19-G21 PolarHBondContact O-N 3.37Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G19-R130 WeakPolarHBondContact O-CD 3.34Å
20S98.2Very high97.8Very high1 Ų119.4 Ų19.41%0.00713%0.132CC..SBendtrans-721.3179.771.10000116.2G17 P18 K22 V122G17-S20 VanDerWaalsContact O-CB 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.4Å; G17-S20 PolarHBondContact O-N 3.36Å; G17-S20 PolarHBondContact O-OG 2.83Å; P18-S20 VanDerWaalsContact C-N 3.31Å; P18-S20 PolarHBondContact O-N 3.03Å; S20-K22 WeakPolarHBondContact OG-CG 3.34Å; S20-K22 PolarHBondContact OG-NZ 3.1Å; S20-V122 VanDerWaalsContact CB-CG1 3.43Å
21G97.7Very high97.7Very high21 Ų2122.9 Ų22.922%0.21614%0.142CC..SBendtrans84.74.2177.300000115.7G19 G23 T24 Q25G19-G21 PolarHBondContact O-N 3.37Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G21-G23 PolarHBondContact O-N 3.42Å; G21-T24 WeakPolarHBondContact O-CB 3.24Å; G21-T24 PolarHBondContact O-N 3.36Å; G21-T24 VanDerWaalsContact O-N 3.14Å; G21-Q25 WeakPolarHBondContact O-CG 3.43Å; G21-Q25 PolarHBondContact O-N 2.94Å
22K98.3Very high97.6Very high24 Ų2427.1 Ų27.110%0.10417%0.165CC..Hα-helixtrans-45.5-59.6179.8-64.9178.6-65.3-67.30113.8V14 G16 G17 S20 T24 Q25 C26 D95 F120V14-K22 HydrophobicContact CG1-CB 3.87Å; V14-K22 HydrophobicContact CG1-CD 4Å; V14-K22 HydrophobicContact CG1-CG 3.79Å; V14-K22 WeakPolarHBondContact O-CD 3.38Å; G16-K22 PolarHBondContact O-NZ 3.23Å; G17-K22 PolarHBondContact O-NZ 3.3Å; S20-K22 WeakPolarHBondContact OG-CG 3.34Å; S20-K22 PolarHBondContact OG-NZ 3.1Å; K22-T24 VanDerWaalsContact C-N 3.29Å; K22-T24 PolarHBondContact O-N 3.42Å; K22-Q25 CarbonylContact O-C 3.56Å; K22-Q25 WeakPolarHBondContact O-CA 3.34Å; K22-Q25 PolarHBondContact O-N 2.72Å; K22-C26 PolarHBondContact O-N 3.31Å; K22-C26 PolarHBondContact O-SG 3.02Å; K22-C26 VanDerWaalsContact O-SG 3.33Å; K22-D95 WeakPolarHBondContact CB-OD1 3.37Å; K22-D95 WeakPolarHBondContact CD-OD1 3.49Å; K22-D95 WeakPolarHBondContact CE-OD1 3.41Å; K22-F120 HydrophobicContact CG-CB 4.29Å; K22-F120 HydrophobicContact CG-CD2 3.85Å; K22-F120 HydrophobicContact CG-CG 4.18Å
23G97.2Very high97.5Very high31 Ų3128.7 Ų28.732%0.3217%0.171SC..Hα-helixtrans-58.3-38.9-177.800000113.5G21 Q25 C26 A27 D95G21-G23 PolarHBondContact O-N 3.42Å; G23-Q25 VanDerWaalsContact C-N 3.33Å; G23-Q25 PolarHBondContact O-N 3.04Å; G23-C26 PolarHBondContact O-N 3.05Å; G23-A27 PolarHBondContact O-N 3.22Å; G23-D95 VanDerWaalsContact CA-OD2 3.24Å; G23-D95 WeakPolarHBondContact CA-OD2 3.41Å; G23-D95 PolarHBondContact N-OD2 3.39Å
24T97.5Very high97.2Very high75 Ų7536.8 Ų36.846%0.4621%0.206SC..Hα-helixtrans-61.3-43.3174.2-54.80000111.4G21 K22 A27 V181G21-T24 WeakPolarHBondContact O-CB 3.24Å; G21-T24 PolarHBondContact O-N 3.36Å; G21-T24 VanDerWaalsContact O-N 3.14Å; K22-T24 VanDerWaalsContact C-N 3.29Å; K22-T24 PolarHBondContact O-N 3.42Å; T24-A27 PolarHBondContact O-N 3.28Å; T24-V181 HydrophobicContact CG2-CB 4.48Å; T24-V181 HydrophobicContact CG2-CG1 3.74Å; T24-V181 HydrophobicContact CG2-CG2 3.85Å
25Q98.5Very high97Very high3 Ų337.7 Ų37.71%0.01421%0.211CC..Hα-helixtrans-74.1-38.8-179.2-62.9-65.5-2400111.4G21 K22 G23 A27 K28 I29 F120 V181 I184 Y185G21-Q25 WeakPolarHBondContact O-CG 3.43Å; G21-Q25 PolarHBondContact O-N 2.94Å; K22-Q25 CarbonylContact O-C 3.56Å; K22-Q25 WeakPolarHBondContact O-CA 3.34Å; K22-Q25 PolarHBondContact O-N 2.72Å; G23-Q25 VanDerWaalsContact C-N 3.33Å; G23-Q25 PolarHBondContact O-N 3.04Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 3.21Å; Q25-K28 PolarHBondContact O-N 3.3Å; Q25-K28 VanDerWaalsContact O-N 3.1Å; Q25-I29 WeakPolarHBondContact O-CG1 3.5Å; Q25-I29 PolarHBondContact O-N 2.69Å; Q25-F120 HydrophobicContact CB-CE1 3.64Å; Q25-F120 HydrophobicContact CB-CZ 3.6Å; Q25-F120 HydrophobicContact CG-CD1 4.32Å; Q25-F120 HydrophobicContact CG-CE1 3.53Å; Q25-F120 HydrophobicContact CG-CZ 4.05Å; Q25-V181 PolarHBondContact NE2-O 3.47Å; Q25-I184 HydrophobicContact CG-CG2 3.96Å; Q25-Y185 VanDerWaalsContact OE1-CA 3.26Å; Q25-Y185 VanDerWaalsContact OE1-CB 3.31Å
26C98.5Very high97Very high0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-55.7-43.6171.4-71.80000112K22 G23 K28 I29 V30 H37 L93K22-C26 PolarHBondContact O-N 3.31Å; K22-C26 PolarHBondContact O-SG 3.02Å; K22-C26 VanDerWaalsContact O-SG 3.33Å; G23-C26 PolarHBondContact O-N 3.05Å; C26-K28 VanDerWaalsContact C-N 3.26Å; C26-K28 PolarHBondContact O-N 3.14Å; C26-I29 PolarHBondContact O-N 3.21Å; C26-I29 VanDerWaalsContact O-N 3.13Å; C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.39Å; C26-V30 PolarHBondContact O-N 3.32Å; C26-H37 WeakPolarHBondContact CB-NE2 3.42Å; C26-L93 HydrophobicContact CB-CD1 4.2Å
27A97.5Very high97Very high49 Ų4941.8 Ų41.841%0.40523%0.23SC..Hα-helixtrans-57.7-39.617700000112.3G23 T24 Q25 Q31G23-A27 PolarHBondContact O-N 3.22Å; T24-A27 PolarHBondContact O-N 3.28Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-A27 PolarHBondContact O-N 3.21Å; A27-Q31 WeakPolarHBondContact O-CG 3.2Å; A27-Q31 PolarHBondContact O-N 2.9Å
28K97.7Very high97.1Very high48 Ų4842.6 Ų42.621%0.20923%0.234CC..Hα-helixtrans-72.8-38.3175.2-60.2-173.168.757.60112.2Q25 C26 V30 Q31 N32 V181 D182 Y185Q25-K28 PolarHBondContact O-N 3.3Å; Q25-K28 VanDerWaalsContact O-N 3.1Å; C26-K28 VanDerWaalsContact C-N 3.26Å; C26-K28 PolarHBondContact O-N 3.14Å; K28-V30 VanDerWaalsContact C-N 3.34Å; K28-V30 PolarHBondContact O-N 3.3Å; K28-Q31 PolarHBondContact O-N 3.39Å; K28-N32 PolarHBondContact O-N 3.28Å; K28-V181 HydrophobicContact CD-CG1 3.73Å; K28-D182 IonicContact NZ-OD1 2.72Å; K28-Y185 HydrophobicContact CB-CD1 4.46Å; K28-Y185 HydrophobicContact CB-CD2 3.4Å; K28-Y185 VanDerWaalsContact CB-CD2 3.4Å; K28-Y185 HydrophobicContact CB-CE1 4.32Å; K28-Y185 HydrophobicContact CB-CE2 3.24Å; K28-Y185 HydrophobicContact CB-CG 4.03Å; K28-Y185 HydrophobicContact CD-CD1 4.33Å; K28-Y185 HydrophobicContact CD-CD2 3.96Å; K28-Y185 HydrophobicContact CD-CG 3.81Å; K28-Y185 VanDerWaalsContact CE-CD1 3.46Å; K28-Y185 VanDerWaalsContact CE-CG 3.41Å; K28-Y185 HydrophobicContact CG-CD2 4.26Å; K28-Y185 HydrophobicContact CG-CE2 4.48Å; K28-Y185 PolarHBondContact O-OH 3.17Å; K28-Y185 VanDerWaalsContact O-OH 3.09Å
29I97.4Very high97.2Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-60.3-44.1174.9-61.8165.8000110.6Q25 C26 Q31 N32 Y33 L35 L93 L118 Y185 V188 M192Q25-I29 WeakPolarHBondContact O-CG1 3.5Å; Q25-I29 PolarHBondContact O-N 2.69Å; C26-I29 PolarHBondContact O-N 3.21Å; C26-I29 VanDerWaalsContact O-N 3.13Å; I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 3.45Å; I29-N32 PolarHBondContact O-N 3.44Å; I29-Y33 HydrophobicContact CG2-CD2 3.82Å; I29-Y33 HydrophobicContact CG2-CG 4.35Å; I29-Y33 WeakPolarHBondContact O-CB 3.23Å; I29-Y33 PolarHBondContact O-N 3.49Å; I29-L35 HydrophobicContact CG2-CD1 4.27Å; I29-L93 HydrophobicContact CB-CD1 3.8Å; I29-L93 HydrophobicContact CD1-CD1 4.3Å; I29-L93 HydrophobicContact CD1-CD2 4.32Å; I29-L93 HydrophobicContact CG2-CD1 3.66Å; I29-L93 HydrophobicContact CG2-CD2 4.11Å; I29-L93 HydrophobicContact CG2-CG 4.39Å; I29-L118 HydrophobicContact CD1-CD1 3.85Å; I29-Y185 HydrophobicContact CG1-CE2 4.2Å; I29-V188 HydrophobicContact CD1-CG1 3.6Å; I29-V188 HydrophobicContact CG1-CG1 3.56Å; I29-M192 HydrophobicContact CG2-CE 3.95Å; I29-M192 HydrophobicContact CG2-CG 4.49Å; I29-M192 HydrophobicContact CG2-SD 4.43Å
30V96.4Very high97.2Very high49 Ų4942.9 Ų42.930%0.29724%0.235SC..Hα-helixtrans-58-42.2178.6170.40000111.5C26 K28 N32 K34 L35 H37 L93C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.39Å; C26-V30 PolarHBondContact O-N 3.32Å; K28-V30 VanDerWaalsContact C-N 3.34Å; K28-V30 PolarHBondContact O-N 3.3Å; V30-N32 PolarHBondContact O-N 3.19Å; V30-K34 WeakPolarHBondContact O-CA 3.45Å; V30-K34 PolarHBondContact O-N 3.14Å; V30-L35 WeakPolarHBondContact CG2-O 3.18Å; V30-H37 HydrophobicContact CG2-CB 3.53Å; V30-L93 HydrophobicContact CG2-CD1 4.08Å
31Q95.3Very high97.1Very high139 Ų13943.5 Ų43.565%0.6524%0.242SC*.Hα-helixtrans-60.8-41.9179-71.1172.1-5.600112.4A27 K28 I29A27-Q31 WeakPolarHBondContact O-CG 3.2Å; A27-Q31 PolarHBondContact O-N 2.9Å; K28-Q31 PolarHBondContact O-N 3.39Å; I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 3.45Å
32N94.8Very high97.1Very high94 Ų9445.8 Ų45.850%0.50325%0.249SC..Hα-helixtrans-91.5-33.4-173.8-72.610.5000113.9K28 I29 V30 Y185K28-N32 PolarHBondContact O-N 3.28Å; I29-N32 PolarHBondContact O-N 3.44Å; V30-N32 PolarHBondContact O-N 3.19Å; N32-Y185 WeakPolarHBondContact CB-OH 3.42Å; N32-Y185 PolarHBondContact ND2-OH 3.47Å
33Y95.6Very high97.1Very high42 Ų4246.5 Ų46.517%0.16525%0.254CS..Hα-helixtrans-111.2-2.9-171.5-64.3-83.2000114.2I29 L35 D189 M192 Q193 V196I29-Y33 HydrophobicContact CG2-CD2 3.82Å; I29-Y33 HydrophobicContact CG2-CG 4.35Å; I29-Y33 WeakPolarHBondContact O-CB 3.23Å; I29-Y33 PolarHBondContact O-N 3.49Å; Y33-L35 PolarHBondContact O-N 3.06Å; Y33-L35 VanDerWaalsContact O-N 3.1Å; Y33-D189 PolarHBondContact OH-O 3.28Å; Y33-D189 PolarHBondContact OH-OD1 2.78Å; Y33-M192 HydrophobicContact CD1-CB 4.41Å; Y33-M192 HydrophobicContact CD1-CE 4.27Å; Y33-M192 HydrophobicContact CD2-CB 4.16Å; Y33-M192 HydrophobicContact CD2-CE 4.26Å; Y33-M192 HydrophobicContact CD2-CG 4.42Å; Y33-M192 HydrophobicContact CE1-CB 3.76Å; Y33-M192 HydrophobicContact CE2-CB 3.46Å; Y33-M192 VanDerWaalsContact CE2-CB 3.46Å; Y33-M192 HydrophobicContact CE2-CG 4.03Å; Y33-M192 HydrophobicContact CG-CE 4.05Å; Y33-M192 VanDerWaalsContact OH-CB 3.24Å; Y33-M192 WeakPolarHBondContact OH-CB 3.31Å; Y33-Q193 WeakPolarHBondContact OH-CG 3.32Å; Y33-Q193 PolarHBondContact OH-N 3.32Å; Y33-V196 HydrophobicContact CD1-CB 4.33Å; Y33-V196 HydrophobicContact CD1-CG1 4.39Å; Y33-V196 HydrophobicContact CD1-CG2 3.8Å; Y33-V196 HydrophobicContact CE1-CB 4.36Å; Y33-V196 HydrophobicContact CE1-CG2 4.09Å
34K92.5Very high97.1Very high170 Ų17045.7 Ų45.774%0.73924%0.242SC*.  trans56.128.9174.9-54.2179.9-179.7178.60114.2V30V30-K34 WeakPolarHBondContact O-CA 3.45Å; V30-K34 PolarHBondContact O-N 3.14Å
35L96.4Very high97Very high19 Ų1944 Ų4410%0.09923%0.227CC..PPolyproline II helixtrans-79.6158.1171.2-59.5177.8000110.3I12 I29 V30 Y33 L93 M192I12-L35 HydrophobicContact CD1-CD1 4.1Å; I29-L35 HydrophobicContact CG2-CD1 4.27Å; V30-L35 WeakPolarHBondContact CG2-O 3.18Å; Y33-L35 PolarHBondContact O-N 3.06Å; Y33-L35 VanDerWaalsContact O-N 3.1Å; L35-L93 HydrophobicContact CB-CD1 4.44Å; L35-L93 HydrophobicContact CB-CG 4.14Å; L35-L93 HydrophobicContact CD1-CD2 3.85Å; L35-L93 HydrophobicContact CD1-CG 3.96Å; L35-M192 HydrophobicContact CD1-CE 3.92Å
36T98.2Very high96.9Very high39 Ų3946.4 Ų46.424%0.23925%0.247CC..EExtended strand (participates in β ladder)trans-88.8123.9170.4-570000110.1L38 A84 S89 G91 F92 L93T36-L38 HydrophobicContact CG2-CD2 3.98Å; T36-L38 HydrophobicContact CG2-CG 4.23Å; T36-A84 HydrophobicContact CG2-CB 3.8Å; T36-S89 WeakPolarHBondContact CB-OG 3.28Å; T36-S89 VanDerWaalsContact OG1-CB 3.31Å; T36-S89 WeakPolarHBondContact OG1-CB 3.25Å; T36-S89 PolarHBondContact OG1-OG 3.05Å; T36-G91 PolarHBondContact N-O 2.69Å; T36-F92 WeakPolarHBondContact O-CA 3.46Å; T36-L93 PolarHBondContact O-N 3.37Å
37H98.5Very high96.8Very high58 Ų5847.2 Ų47.227%0.26925%0.252SS..EExtended strand (participates in β ladder)trans-88.5122.1174.3172.6-141.9000111.2C26 V30 D95C26-H37 WeakPolarHBondContact CB-NE2 3.42Å; V30-H37 HydrophobicContact CG2-CB 3.53Å; H37-D95 IonicContact CE1-OD2 3.54Å; H37-D95 WeakPolarHBondContact NE2-CB 3.5Å; H37-D95 IonicContact NE2-OD2 2.72Å; H37-D95 PolarHBondContact NE2-OD2 3.16Å
38L98.7Very high96.8Very high18 Ų1846.4 Ų46.49%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-123111175.2-59.2-179.1000108.6T36 A80 M81 F92 L93 I94 D95T36-L38 HydrophobicContact CG2-CD2 3.98Å; T36-L38 HydrophobicContact CG2-CG 4.23Å; L38-A80 HydrophobicContact CD1-CB 4.12Å; L38-A80 HydrophobicContact CD2-CB 3.88Å; L38-M81 HydrophobicContact CD1-CB 4.22Å; L38-M81 HydrophobicContact CD1-CG 3.39Å; L38-F92 HydrophobicContact CD1-CD1 3.83Å; L38-F92 HydrophobicContact CD1-CE1 4.28Å; L38-F92 HydrophobicContact CG-CD1 4.48Å; L38-L93 PolarHBondContact N-O 3.29Å; L38-I94 HydrophobicContact CB-CD1 4.31Å; L38-I94 HydrophobicContact CD1-CD1 4.17Å; L38-I94 CarbonylContact O-C 3.56Å; L38-I94 WeakPolarHBondContact O-CA 3.35Å; L38-D95 PolarHBondContact O-N 2.93Å
39S98.4Very high96.7Very high13 Ų1351.6 Ų51.69%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-99118.3179.6161.20000110.1G41 D42 L43 D95S39-G41 PolarHBondContact O-N 3.18Å; S39-D42 WeakPolarHBondContact CB-OD2 3.28Å; S39-D42 PolarHBondContact O-N 2.85Å; S39-D42 VanDerWaalsContact O-N 3.09Å; S39-D42 VanDerWaalsContact OG-CG 3.23Å; S39-D42 PolarHBondContact OG-N 2.91Å; S39-D42 VanDerWaalsContact OG-N 3.16Å; S39-D42 PolarHBondContact OG-OD2 3.13Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.14Å; S39-D95 WeakPolarHBondContact CA-O 3.4Å
40S97.5Very high96.6Very high7 Ų755 Ų555%0.04929%0.291CS..Hα-helixtrans-57.6-39.7178.566.80000111.2L43 L44 D95 G96S40-L43 PolarHBondContact O-N 2.83Å; S40-L44 WeakPolarHBondContact O-CB 3.4Å; S40-L44 WeakPolarHBondContact O-CG 3.42Å; S40-L44 PolarHBondContact O-N 3.35Å; S40-D95 PolarHBondContact N-O 3.09Å; S40-D95 PolarHBondContact OG-O 2.88Å; S40-G96 PolarHBondContact OG-O 2.61Å
41G96.3Very high96.4Very high15 Ų1554.9 Ų54.916%0.15530%0.299CS..Hα-helixtrans-66.6-36.4177.400000113.2S39 R45S39-G41 PolarHBondContact O-N 3.18Å; G41-R45 VanDerWaalsContact C-CZ 3.41Å; G41-R45 WeakPolarHBondContact O-CB 3.45Å; G41-R45 WeakPolarHBondContact O-CG 3.41Å; G41-R45 PolarHBondContact O-N 3.46Å; G41-R45 PolarHBondContact O-NE 3.17Å; G41-R45 PolarHBondContact O-NH2 3.43Å
42D97.2Very high96.4Very high68 Ų6850.2 Ų50.236%0.36428%0.282SS..Hα-helixtrans-75.9-36.4177.8-63.2-38.9000111.5S39 L44 R45 A46 R140S39-D42 WeakPolarHBondContact CB-OD2 3.28Å; S39-D42 PolarHBondContact O-N 2.85Å; S39-D42 VanDerWaalsContact O-N 3.09Å; S39-D42 VanDerWaalsContact OG-CG 3.23Å; S39-D42 PolarHBondContact OG-N 2.91Å; S39-D42 VanDerWaalsContact OG-N 3.16Å; S39-D42 PolarHBondContact OG-OD2 3.13Å; D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.1Å; D42-R45 PolarHBondContact O-N 3.3Å; D42-R45 IonicContact OD1-CZ 3.29Å; D42-R45 IonicContact OD1-NE 3.36Å; D42-R45 PolarHBondContact OD1-NE 2.89Å; D42-R45 VanDerWaalsContact OD1-NE 3.16Å; D42-R45 IonicContact OD1-NH2 3.95Å; D42-R45 PolarHBondContact OD1-NH2 2.86Å; D42-A46 WeakPolarHBondContact O-CB 3.48Å; D42-A46 PolarHBondContact O-N 3.37Å; D42-R140 IonicContact OD1-NH2 2.9Å; D42-R140 PolarHBondContact OD1-NH2 3.32Å
43L98.1Very high96.4Very high40 Ų4051.9 Ų51.921%0.20929%0.287CS..Hα-helixtrans-59.7-44.8171.1-68.7171.1000111.7S39 S40 A46 D47 L76 I77 A80S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.14Å; S40-L43 PolarHBondContact O-N 2.83Å; L43-A46 PolarHBondContact O-N 3.13Å; L43-D47 PolarHBondContact O-N 2.86Å; L43-D47 VanDerWaalsContact O-N 3.08Å; L43-L76 HydrophobicContact CB-CB 4.29Å; L43-L76 HydrophobicContact CD1-CB 4.43Å; L43-I77 HydrophobicContact CD1-CG1 4Å; L43-A80 HydrophobicContact CD1-CB 4.11Å; L43-A80 HydrophobicContact CD2-CB 3.86Å
44L97.7Very high96.4Very high14 Ų1454.2 Ų54.27%0.07330%0.295CS..Hα-helixtrans-64.6-41.9175.8-71.2168.3000112.3S40 D42 D47 V48 I58 M62 V68 V73 L76S40-L44 WeakPolarHBondContact O-CB 3.4Å; S40-L44 WeakPolarHBondContact O-CG 3.42Å; S40-L44 PolarHBondContact O-N 3.35Å; D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.1Å; L44-D47 PolarHBondContact O-N 2.93Å; L44-V48 WeakPolarHBondContact O-CG2 3.35Å; L44-V48 PolarHBondContact O-N 3.48Å; L44-I58 HydrophobicContact CB-CG2 4.14Å; L44-I58 HydrophobicContact CD2-CD1 3.93Å; L44-I58 HydrophobicContact CD2-CG1 4.39Å; L44-I58 HydrophobicContact CD2-CG2 4.01Å; L44-M62 HydrophobicContact CB-SD 3.87Å; L44-V68 HydrophobicContact CD1-CB 4.17Å; L44-V68 HydrophobicContact CD1-CG2 3.93Å; L44-V68 HydrophobicContact CD2-CB 4.03Å; L44-V68 HydrophobicContact CD2-CG1 3.8Å; L44-V68 HydrophobicContact CD2-CG2 3.98Å; L44-V73 HydrophobicContact CD1-CG2 4.25Å; L44-V73 HydrophobicContact CD2-CG2 4.3Å; L44-L76 HydrophobicContact CD2-CD1 3.76Å; L44-L76 HydrophobicContact CG-CD1 4.39Å
45R96.5Very high96.6Very high39 Ų3946.1 Ų46.115%0.14726%0.26CS..Hα-helixtrans-63.9-42176.3-79.9-178.8-78.3-82.8-4.9112.1G41 D42 D47 V48 E49 M62 R140G41-R45 VanDerWaalsContact C-CZ 3.41Å; G41-R45 WeakPolarHBondContact O-CB 3.45Å; G41-R45 WeakPolarHBondContact O-CG 3.41Å; G41-R45 PolarHBondContact O-N 3.46Å; G41-R45 PolarHBondContact O-NE 3.17Å; G41-R45 PolarHBondContact O-NH2 3.43Å; D42-R45 PolarHBondContact O-N 3.3Å; D42-R45 IonicContact OD1-CZ 3.29Å; D42-R45 IonicContact OD1-NE 3.36Å; D42-R45 PolarHBondContact OD1-NE 2.89Å; D42-R45 VanDerWaalsContact OD1-NE 3.16Å; D42-R45 IonicContact OD1-NH2 3.95Å; D42-R45 PolarHBondContact OD1-NH2 2.86Å; R45-D47 VanDerWaalsContact C-N 3.25Å; R45-D47 PolarHBondContact O-N 3.01Å; R45-V48 WeakPolarHBondContact O-CB 3.3Å; R45-V48 PolarHBondContact O-N 3.39Å; R45-V48 VanDerWaalsContact O-N 3.16Å; R45-E49 WeakPolarHBondContact O-CG 3.33Å; R45-E49 PolarHBondContact O-N 3.05Å; R45-M62 HydrophobicContact CG-CE 3.92Å; R45-R140 VanDerWaalsContact CZ-CZ 3.45Å
46A96.6Very high96.6Very high53 Ų5350.7 Ų50.744%0.43828%0.279SS..Hα-helixtrans-60.5-37.5174.400000111.6D42 L43 E49 S50D42-A46 WeakPolarHBondContact O-CB 3.48Å; D42-A46 PolarHBondContact O-N 3.37Å; L43-A46 PolarHBondContact O-N 3.13Å; A46-E49 PolarHBondContact O-N 3.22Å; A46-S50 PolarHBondContact O-N 2.87Å; A46-S50 VanDerWaalsContact O-N 3.09Å
47D96.2Very high96.5Very high17 Ų1754 Ų549%0.09129%0.292CS..Hα-helixtrans-69.9-35.9175.7-160.654.5000112.7L43 L44 R45 E49 S50 R54 G55 I58L43-D47 PolarHBondContact O-N 2.86Å; L43-D47 VanDerWaalsContact O-N 3.08Å; L44-D47 PolarHBondContact O-N 2.93Å; R45-D47 VanDerWaalsContact C-N 3.25Å; R45-D47 PolarHBondContact O-N 3.01Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-S50 WeakPolarHBondContact O-CB 3.41Å; D47-S50 PolarHBondContact O-N 2.89Å; D47-S50 PolarHBondContact O-OG 2.98Å; D47-R54 VanDerWaalsContact CG-NH2 3.27Å; D47-R54 IonicContact OD1-CZ 2.68Å; D47-R54 IonicContact OD1-NE 2.71Å; D47-R54 IonicContact OD1-NH2 3.27Å; D47-R54 PolarHBondContact OD1-NH2 3.16Å; D47-R54 IonicContact OD2-CZ 3.77Å; D47-R54 IonicContact OD2-NE 2.98Å; D47-R54 PolarHBondContact OD2-NE 3.47Å; D47-R54 IonicContact OD2-NH2 2.66Å; D47-R54 PolarHBondContact OD2-NH2 3.48Å; D47-G55 WeakPolarHBondContact O-CA 3.41Å; D47-I58 HydrophobicContact CB-CD1 4.2Å; D47-I58 WeakPolarHBondContact OD2-CD1 3.3Å
48V96.2Very high96.4Very high33 Ų3351.4 Ų51.420%0.228%0.28CS..Hα-helixtrans-60.5-44.81701710000111L44 R45 S50 G51 G55 I58 K59 M62L44-V48 WeakPolarHBondContact O-CG2 3.35Å; L44-V48 PolarHBondContact O-N 3.48Å; R45-V48 WeakPolarHBondContact O-CB 3.3Å; R45-V48 PolarHBondContact O-N 3.39Å; R45-V48 VanDerWaalsContact O-N 3.16Å; V48-S50 PolarHBondContact O-N 3.47Å; V48-G51 PolarHBondContact O-N 2.81Å; V48-G51 VanDerWaalsContact O-N 3.17Å; V48-G55 WeakPolarHBondContact CG2-O 3.41Å; V48-I58 HydrophobicContact CG2-CB 3.97Å; V48-I58 HydrophobicContact CG2-CG2 3.5Å; V48-I58 VanDerWaalsContact CG2-CG2 3.5Å; V48-K59 HydrophobicContact CG1-CB 3.81Å; V48-K59 HydrophobicContact CG1-CD 4.04Å; V48-K59 HydrophobicContact CG1-CG 3.93Å; V48-K59 HydrophobicContact CG2-CB 4.04Å; V48-M62 HydrophobicContact CG2-SD 4.43Å
49E96.1Very high96.3Very high157 Ų15756 Ų5673%0.73430%0.299SS*.Hα-helixtrans-65.6-24.1-179.7-73166.6-17000112.8R45 A46 D47 G51R45-E49 WeakPolarHBondContact O-CG 3.33Å; R45-E49 PolarHBondContact O-N 3.05Å; A46-E49 PolarHBondContact O-N 3.22Å; D47-E49 VanDerWaalsContact C-N 3.34Å; E49-G51 PolarHBondContact O-N 3.32Å
50S95.2Very high96.1Very high71 Ų7161.6 Ų61.650%0.49732%0.324SS..THydrogen-bonded Turntrans-62.5-19.5173.879.60000113.9A46 D47 V48 S52A46-S50 PolarHBondContact O-N 2.87Å; A46-S50 VanDerWaalsContact O-N 3.09Å; D47-S50 WeakPolarHBondContact O-CB 3.41Å; D47-S50 PolarHBondContact O-N 2.89Å; D47-S50 PolarHBondContact O-OG 2.98Å; V48-S50 PolarHBondContact O-N 3.47Å; S50-S52 PolarHBondContact O-N 3.21Å; S50-S52 WeakPolarHBondContact OG-CB 3.46Å; S50-S52 PolarHBondContact OG-N 3.39Å; S50-S52 PolarHBondContact OG-OG 2.86Å
51G93.5Very high96.1Very high46 Ų4663.7 Ų63.747%0.47433%0.334SS..THydrogen-bonded Turntrans71.75.8-176.600000114.9V48 E49V48-G51 PolarHBondContact O-N 2.81Å; V48-G51 VanDerWaalsContact O-N 3.17Å; E49-G51 PolarHBondContact O-N 3.32Å
52S94.8Very high96Very high42 Ų4264 Ų6429%0.29433%0.332SS..  trans-62.9161.6179.373.30000112.6S50 R54 G55 K56S50-S52 PolarHBondContact O-N 3.21Å; S50-S52 WeakPolarHBondContact OG-CB 3.46Å; S50-S52 PolarHBondContact OG-N 3.39Å; S50-S52 PolarHBondContact OG-OG 2.86Å; S52-R54 VanDerWaalsContact C-N 3.26Å; S52-R54 PolarHBondContact O-N 2.8Å; S52-G55 WeakPolarHBondContact O-CA 3.42Å; S52-G55 PolarHBondContact O-N 2.89Å; S52-G55 VanDerWaalsContact O-N 3.1Å; S52-G55 PolarHBondContact OG-N 3.06Å; S52-K56 WeakPolarHBondContact O-CG 3.32Å; S52-K56 PolarHBondContact O-N 2.81Å
53Q94.8Very high95.9Very high128 Ų12862.6 Ų62.660%0.59833%0.329SS*.Hα-helixtrans-60.1-38.7176.4-174.359.424.500111.9K56 Q57Q53-K56 PolarHBondContact O-N 2.72Å; Q53-Q57 PolarHBondContact O-N 3.16Å
54R95Very high95.7Very high92 Ų9264.1 Ų64.135%0.34734%0.338SS..Hα-helixtrans-62.3-46.3172-176.8179.669.7-176.3-0.8111D47 S52 K56 Q57 I58D47-R54 VanDerWaalsContact CG-NH2 3.27Å; D47-R54 IonicContact OD1-CZ 2.68Å; D47-R54 IonicContact OD1-NE 2.71Å; D47-R54 IonicContact OD1-NH2 3.27Å; D47-R54 PolarHBondContact OD1-NH2 3.16Å; D47-R54 IonicContact OD2-CZ 3.77Å; D47-R54 IonicContact OD2-NE 2.98Å; D47-R54 PolarHBondContact OD2-NE 3.47Å; D47-R54 IonicContact OD2-NH2 2.66Å; D47-R54 PolarHBondContact OD2-NH2 3.48Å; S52-R54 VanDerWaalsContact C-N 3.26Å; S52-R54 PolarHBondContact O-N 2.8Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 2.76Å; R54-Q57 WeakPolarHBondContact O-CB 3.4Å; R54-Q57 PolarHBondContact O-N 3.34Å; R54-Q57 VanDerWaalsContact O-N 3.14Å; R54-I58 HydrophobicContact CG-CD1 3.92Å; R54-I58 HydrophobicContact CG-CG1 4.46Å; R54-I58 WeakPolarHBondContact O-CG1 3.42Å; R54-I58 PolarHBondContact O-N 3.35Å
55G96.2Very high95.6Very high0 Ų063.6 Ų63.60%034%0.336CS..Hα-helixtrans-57.6-38.9176.900000113.3D47 V48 S52 I58 K59D47-G55 WeakPolarHBondContact O-CA 3.41Å; V48-G55 WeakPolarHBondContact CG2-O 3.41Å; S52-G55 WeakPolarHBondContact O-CA 3.42Å; S52-G55 PolarHBondContact O-N 2.89Å; S52-G55 VanDerWaalsContact O-N 3.1Å; S52-G55 PolarHBondContact OG-N 3.06Å; G55-I58 PolarHBondContact O-N 2.94Å; G55-K59 WeakPolarHBondContact O-CB 3.45Å; G55-K59 PolarHBondContact O-N 2.75Å
56K96Very high95.5Very high115 Ų11567 Ų6750%0.535%0.353SS..Hα-helixtrans-63-44.5174.7-68.2175.3-172.8175.40112.3S52 Q53 R54 K59 E60S52-K56 WeakPolarHBondContact O-CG 3.32Å; S52-K56 PolarHBondContact O-N 2.81Å; Q53-K56 PolarHBondContact O-N 2.72Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 2.76Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.22Å; K56-E60 PolarHBondContact O-N 3.41Å
57Q96Very high95.5Very high108 Ų10865.9 Ų65.951%0.50534%0.34SS..Hα-helixtrans-64.3-43.1176.4-67.2172.3-27.700111.6Q53 R54 K59 E60 I61Q53-Q57 PolarHBondContact O-N 3.16Å; R54-Q57 WeakPolarHBondContact O-CB 3.4Å; R54-Q57 PolarHBondContact O-N 3.34Å; R54-Q57 VanDerWaalsContact O-N 3.14Å; Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 2.83Å; Q57-E60 PolarHBondContact O-N 2.93Å; Q57-I61 WeakPolarHBondContact O-CG1 3.22Å; Q57-I61 PolarHBondContact O-N 3.05Å; Q57-I61 VanDerWaalsContact O-N 3.11Å
58I97Very high95.5Very high4 Ų465.6 Ų65.62%0.02134%0.339CS..Hα-helixtrans-58.7-42.8174.8-70.2170.2000110.6L44 D47 V48 R54 G55 E60 I61 M62 V68 T72L44-I58 HydrophobicContact CB-CG2 4.14Å; L44-I58 HydrophobicContact CD2-CD1 3.93Å; L44-I58 HydrophobicContact CD2-CG1 4.39Å; L44-I58 HydrophobicContact CD2-CG2 4.01Å; D47-I58 HydrophobicContact CB-CD1 4.2Å; D47-I58 WeakPolarHBondContact OD2-CD1 3.3Å; V48-I58 HydrophobicContact CG2-CB 3.97Å; V48-I58 HydrophobicContact CG2-CG2 3.5Å; V48-I58 VanDerWaalsContact CG2-CG2 3.5Å; R54-I58 HydrophobicContact CG-CD1 3.92Å; R54-I58 HydrophobicContact CG-CG1 4.46Å; R54-I58 WeakPolarHBondContact O-CG1 3.42Å; R54-I58 PolarHBondContact O-N 3.35Å; G55-I58 PolarHBondContact O-N 2.94Å; I58-E60 VanDerWaalsContact C-N 3.34Å; I58-E60 PolarHBondContact O-N 2.91Å; I58-I61 PolarHBondContact O-N 2.97Å; I58-M62 HydrophobicContact CG2-CG 4.08Å; I58-M62 HydrophobicContact CG2-SD 3.61Å; I58-M62 WeakPolarHBondContact O-CB 3.24Å; I58-M62 VanDerWaalsContact O-CG 3.29Å; I58-M62 WeakPolarHBondContact O-CG 3.42Å; I58-M62 PolarHBondContact O-N 2.88Å; I58-V68 HydrophobicContact CG1-CG1 4.1Å; I58-V68 HydrophobicContact CG1-CG2 4.49Å; I58-V68 HydrophobicContact CG2-CG2 4.06Å; I58-T72 HydrophobicContact CD1-CG2 4.05Å
59K96Very high95.6Very high113 Ų11366.9 Ų66.949%0.49135%0.352SS..Hα-helixtrans-57.6-45.8179.2-171.7-179.2178.9177.60111.7V48 G55 K56 Q57 M62 A63V48-K59 HydrophobicContact CG1-CB 3.81Å; V48-K59 HydrophobicContact CG1-CD 4.04Å; V48-K59 HydrophobicContact CG1-CG 3.93Å; V48-K59 HydrophobicContact CG2-CB 4.04Å; G55-K59 WeakPolarHBondContact O-CB 3.45Å; G55-K59 PolarHBondContact O-N 2.75Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.22Å; Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 2.83Å; K59-M62 PolarHBondContact O-N 3.46Å; K59-A63 VanDerWaalsContact O-CB 3.32Å; K59-A63 WeakPolarHBondContact O-CB 3.44Å; K59-A63 PolarHBondContact O-N 3.47Å
60E95.6Very high95.6Very high132 Ų13261.1 Ų61.162%0.61733%0.326SS*.Hα-helixtrans-65.3-44.2178.9-69.4173.3-172.100112.1K56 Q57 I58 M62 A63 N64K56-E60 PolarHBondContact O-N 3.41Å; Q57-E60 PolarHBondContact O-N 2.93Å; I58-E60 VanDerWaalsContact C-N 3.34Å; I58-E60 PolarHBondContact O-N 2.91Å; E60-M62 PolarHBondContact O-N 2.77Å; E60-A63 PolarHBondContact O-N 2.99Å; E60-N64 PolarHBondContact O-N 3.02Å; E60-N64 VanDerWaalsContact O-N 3.17Å; E60-N64 PolarHBondContact O-ND2 3.5Å
61I96.8Very high95.8Very high50 Ų5061.8 Ų61.826%0.25632%0.322SS..Hα-helixtrans-61.3-45.9176.9-66166.7000110.5Q57 I58 N64 G65 Q66 L67 V68Q57-I61 WeakPolarHBondContact O-CG1 3.22Å; Q57-I61 PolarHBondContact O-N 3.05Å; Q57-I61 VanDerWaalsContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 2.97Å; I61-N64 PolarHBondContact O-N 3.27Å; I61-G65 PolarHBondContact O-N 3.33Å; I61-Q66 HydrophobicContact CG2-CB 3.81Å; I61-Q66 PolarHBondContact O-N 2.83Å; I61-L67 WeakPolarHBondContact CG2-O 3.32Å; I61-V68 HydrophobicContact CB-CG2 4.38Å; I61-V68 HydrophobicContact CG2-CG2 3.91Å
62M95.3Very high95.9Very high22 Ų2261.2 Ų61.211%0.10831%0.309CS..Hα-helixtrans-66.5-40.4179.7-72.3-176.56400112.5L44 R45 V48 I58 K59 E60 N64 G65 V68L44-M62 HydrophobicContact CB-SD 3.87Å; R45-M62 HydrophobicContact CG-CE 3.92Å; V48-M62 HydrophobicContact CG2-SD 4.43Å; I58-M62 HydrophobicContact CG2-CG 4.08Å; I58-M62 HydrophobicContact CG2-SD 3.61Å; I58-M62 WeakPolarHBondContact O-CB 3.24Å; I58-M62 VanDerWaalsContact O-CG 3.29Å; I58-M62 WeakPolarHBondContact O-CG 3.42Å; I58-M62 PolarHBondContact O-N 2.88Å; K59-M62 PolarHBondContact O-N 3.46Å; E60-M62 PolarHBondContact O-N 2.77Å; M62-N64 PolarHBondContact O-N 3.14Å; M62-G65 PolarHBondContact O-N 2.87Å; M62-V68 HydrophobicContact CG-CG2 4.19Å
63A94Very high96.1Very high38 Ų3859.6 Ų59.631%0.31430%0.298SS..Hα-helixtrans-60.3-3117500000111.9K59 E60 G65 T147K59-A63 VanDerWaalsContact O-CB 3.32Å; K59-A63 WeakPolarHBondContact O-CB 3.44Å; K59-A63 PolarHBondContact O-N 3.47Å; E60-A63 PolarHBondContact O-N 2.99Å; A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.86Å; A63-T147 VanDerWaalsContact O-CG2 3.27Å; A63-T147 WeakPolarHBondContact O-CG2 3.49Å; A63-T147 PolarHBondContact O-OG1 3.37Å
64N94.9Very high96.2Very high72 Ų7253.5 Ų53.539%0.38527%0.269SS..THydrogen-bonded Turntrans-83.62.3174.8-73.8-52.7000114.5E60 I61 M62 Q66 K150E60-N64 PolarHBondContact O-N 3.02Å; E60-N64 VanDerWaalsContact O-N 3.17Å; E60-N64 PolarHBondContact O-ND2 3.5Å; I61-N64 PolarHBondContact O-N 3.27Å; M62-N64 PolarHBondContact O-N 3.14Å; N64-Q66 HydrophobicContact CB-CG 4.15Å; N64-Q66 PolarHBondContact O-N 2.84Å; N64-K150 WeakPolarHBondContact O-CD 3.45Å
65G94.1Very high96.3Very high3 Ų352.3 Ų52.33%0.03127%0.27CS..THydrogen-bonded Turntrans68.716.6179.200000114.3I61 M62 A63 T154I61-G65 PolarHBondContact O-N 3.33Å; M62-G65 PolarHBondContact O-N 2.87Å; A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.86Å; G65-T154 PolarHBondContact O-OG1 3.15Å; G65-T154 VanDerWaalsContact O-OG1 3.09Å
66Q95.6Very high96.4Very high111 Ų11153 Ų5352%0.51927%0.273SS..PPolyproline II helixtrans-87.9163.6-179.3-68.1173.5-42.500111.4I61 N64I61-Q66 HydrophobicContact CG2-CB 3.81Å; I61-Q66 PolarHBondContact O-N 2.83Å; N64-Q66 HydrophobicContact CB-CG 4.15Å; N64-Q66 PolarHBondContact O-N 2.84Å
67L96Very high96.5Very high30 Ų3047.5 Ų47.516%0.15725%0.249CC..PPolyproline II helixtrans-80.1134.9170.7-58.9-170000109.7I61 R99 T154 Q158I61-L67 WeakPolarHBondContact CG2-O 3.32Å; L67-R99 HydrophobicContact CD1-CB 3.92Å; L67-R99 HydrophobicContact CD2-CB 3.9Å; L67-R99 HydrophobicContact CD2-CG 4.47Å; L67-T154 HydrophobicContact CD1-CG2 4.42Å; L67-T154 HydrophobicContact CD2-CG2 3.69Å; L67-T154 HydrophobicContact CG-CG2 3.77Å; L67-Q158 HydrophobicContact CD1-CB 4.4Å; L67-Q158 VanDerWaalsContact CD1-OE1 3.25Å
68V97.2Very high96.6Very high11 Ų1144.5 Ų44.57%0.06723%0.234CC..PPolyproline II helixtrans-68.8149.7166.7178.20000108.8L44 I58 I61 M62 L70 T72 V73L44-V68 HydrophobicContact CD1-CB 4.17Å; L44-V68 HydrophobicContact CD1-CG2 3.93Å; L44-V68 HydrophobicContact CD2-CB 4.03Å; L44-V68 HydrophobicContact CD2-CG1 3.8Å; L44-V68 HydrophobicContact CD2-CG2 3.98Å; I58-V68 HydrophobicContact CG1-CG1 4.1Å; I58-V68 HydrophobicContact CG1-CG2 4.49Å; I58-V68 HydrophobicContact CG2-CG2 4.06Å; I61-V68 HydrophobicContact CB-CG2 4.38Å; I61-V68 HydrophobicContact CG2-CG2 3.91Å; M62-V68 HydrophobicContact CG-CG2 4.19Å; V68-L70 PolarHBondContact O-N 3.3Å; V68-T72 HydrophobicContact CG1-CG2 4.02Å; V68-V73 HydrophobicContact CB-CG2 3.89Å; V68-V73 HydrophobicContact CG1-CG2 4.05Å
69A96.9Very high96.7Very high59 Ų5949.6 Ų49.649%0.48826%0.258SS..PPolyproline II helixtrans-52.4136.4-178.300000112.3E71 T72 V73A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.49Å; A69-T72 WeakPolarHBondContact O-CB 3.44Å; A69-T72 PolarHBondContact O-N 3.29Å; A69-T72 VanDerWaalsContact O-N 3.15Å; A69-V73 PolarHBondContact O-N 3.1Å; A69-V73 VanDerWaalsContact O-N 3.14Å
70L97.6Very high96.8Very high36 Ų3645.1 Ų45.119%0.18824%0.242CC..Hα-helixtrans-44.7-54.1-179.3165.661.5000112.6V68 T72 V73 L74 T102 Q103 K106V68-L70 PolarHBondContact O-N 3.3Å; L70-T72 VanDerWaalsContact C-N 3.33Å; L70-T72 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 2.91Å; L70-L74 VanDerWaalsContact O-CB 3.32Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 PolarHBondContact O-N 3.38Å; L70-T102 HydrophobicContact CD2-CG2 4.12Å; L70-Q103 HydrophobicContact CD1-CB 4.06Å; L70-Q103 HydrophobicContact CD1-CG 3.48Å; L70-Q103 VanDerWaalsContact CD1-CG 3.48Å; L70-K106 HydrophobicContact CD1-CB 4.29Å; L70-K106 HydrophobicContact CD1-CG 4.42Å; L70-K106 HydrophobicContact CD2-CB 4.07Å; L70-K106 HydrophobicContact CD2-CG 4.07Å; L70-K106 HydrophobicContact CG-CG 4.49Å
71E97.5Very high96.9Very high85 Ų8538.9 Ų38.940%0.39721%0.213SC..Hα-helixtrans-62.8-41.2-173.8-59.2-60.6171.800111.5A69 V73 L74 D75 K106A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.49Å; E71-V73 PolarHBondContact O-N 3.36Å; E71-L74 PolarHBondContact O-N 3.28Å; E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 VanDerWaalsContact O-CG 3.26Å; E71-D75 PolarHBondContact O-N 3.39Å; E71-K106 WeakPolarHBondContact OE1-CE 3.41Å; E71-K106 IonicContact OE1-NZ 3.69Å
72T97Very high97Very high35 Ų3539.7 Ų39.722%0.21522%0.217CC..Hα-helixtrans-61.1-44.9175.4-55.40000112I58 V68 A69 L70 L76I58-T72 HydrophobicContact CD1-CG2 4.05Å; V68-T72 HydrophobicContact CG1-CG2 4.02Å; A69-T72 WeakPolarHBondContact O-CB 3.44Å; A69-T72 PolarHBondContact O-N 3.29Å; A69-T72 VanDerWaalsContact O-N 3.15Å; L70-T72 VanDerWaalsContact C-N 3.33Å; L70-T72 PolarHBondContact O-N 3.45Å; T72-L76 HydrophobicContact CG2-CD1 4.38Å; T72-L76 VanDerWaalsContact O-CG 3.31Å; T72-L76 WeakPolarHBondContact O-CG 3.43Å; T72-L76 PolarHBondContact O-N 3.31Å
73V98.1Very high97.1Very high8 Ų845.5 Ų45.55%0.04824%0.242CC..Hα-helixtrans-67.5-43.6179.8-179.30000110.7L44 V68 A69 L70 E71 L76 I77 F97L44-V73 HydrophobicContact CD1-CG2 4.25Å; L44-V73 HydrophobicContact CD2-CG2 4.3Å; V68-V73 HydrophobicContact CB-CG2 3.89Å; V68-V73 HydrophobicContact CG1-CG2 4.05Å; A69-V73 PolarHBondContact O-N 3.1Å; A69-V73 VanDerWaalsContact O-N 3.14Å; L70-V73 PolarHBondContact O-N 2.91Å; E71-V73 PolarHBondContact O-N 3.36Å; V73-L76 PolarHBondContact O-N 3.32Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 2.92Å; V73-F97 HydrophobicContact CG1-CD2 3.88Å; V73-F97 HydrophobicContact CG1-CE2 4.08Å
74L98.1Very high97.3Very high0 Ų044.1 Ų44.10%023%0.231CC..Hα-helixtrans-66.5-40.3-178.2-177.759.6000111.8L70 E71 I77 K78 K106 F107 I111L70-L74 VanDerWaalsContact O-CB 3.32Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 PolarHBondContact O-N 3.38Å; E71-L74 PolarHBondContact O-N 3.28Å; L74-I77 PolarHBondContact O-N 3.42Å; L74-K78 HydrophobicContact CG-CD 4.46Å; L74-K78 WeakPolarHBondContact O-CG 3.42Å; L74-K78 PolarHBondContact O-N 2.88Å; L74-K106 HydrophobicContact CD2-CB 4.43Å; L74-K106 HydrophobicContact CD2-CG 3.53Å; L74-F107 HydrophobicContact CD1-CB 4.19Å; L74-F107 HydrophobicContact CD1-CD2 3.83Å; L74-F107 HydrophobicContact CD1-CG 4.37Å; L74-I111 HydrophobicContact CD1-CD1 3.81Å
75D97.3Very high97.5Very high67 Ų6742.9 Ų42.936%0.35822%0.224SC..Hα-helixtrans-65.1-45177.1-73.4-16.7000111.7E71 I77 K78 E79E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 VanDerWaalsContact O-CG 3.26Å; E71-D75 PolarHBondContact O-N 3.39Å; D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 2.91Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 VanDerWaalsContact O-N 3.16Å; D75-K78 IonicContact OD1-NZ 3.22Å; D75-K78 PolarHBondContact OD1-NZ 2.78Å; D75-E79 WeakPolarHBondContact O-CG 3.35Å; D75-E79 PolarHBondContact O-N 2.89Å
76L97.8Very high97.6Very high13 Ų1348.4 Ų48.47%0.06826%0.257CS..Hα-helixtrans-58.2-40.9173.9-71.9171.4000111.9L43 L44 T72 V73 A80L43-L76 HydrophobicContact CB-CB 4.29Å; L43-L76 HydrophobicContact CD1-CB 4.43Å; L44-L76 HydrophobicContact CD2-CD1 3.76Å; L44-L76 HydrophobicContact CG-CD1 4.39Å; T72-L76 HydrophobicContact CG2-CD1 4.38Å; T72-L76 VanDerWaalsContact O-CG 3.31Å; T72-L76 WeakPolarHBondContact O-CG 3.43Å; T72-L76 PolarHBondContact O-N 3.31Å; V73-L76 PolarHBondContact O-N 3.32Å; L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 2.87Å; L76-A80 VanDerWaalsContact O-N 3.1Å
77I98.6Very high97.7Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-65.9-45.8176.4-69.3166.6000110.7L43 V73 L74 D75 E79 A80 M81 I94 F97 F107L43-I77 HydrophobicContact CD1-CG1 4Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 2.92Å; L74-I77 PolarHBondContact O-N 3.42Å; D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 2.91Å; I77-E79 PolarHBondContact O-N 3.4Å; I77-A80 PolarHBondContact O-N 3.12Å; I77-M81 HydrophobicContact CG2-CG 4.12Å; I77-M81 HydrophobicContact CG2-SD 3.86Å; I77-M81 WeakPolarHBondContact O-CB 3.32Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.5Å; I77-M81 PolarHBondContact O-N 2.77Å; I77-I94 HydrophobicContact CD1-CG2 3.98Å; I77-I94 HydrophobicContact CG2-CD1 4.34Å; I77-I94 HydrophobicContact CG2-CG2 4.28Å; I77-F97 HydrophobicContact CD1-CB 4.18Å; I77-F97 HydrophobicContact CD1-CD1 4.34Å; I77-F97 HydrophobicContact CD1-CD2 3.61Å; I77-F97 HydrophobicContact CD1-CE2 4.01Å; I77-F97 HydrophobicContact CD1-CG 3.78Å; I77-F107 HydrophobicContact CG2-CE2 3.87Å
78K98.1Very high97.7Very high45 Ų4550.1 Ų50.120%0.19628%0.279CS..Hα-helixtrans-59.4-47.1178-74.4170.7-173.3154.10111.9L74 D75 A80 M81 L82 E110 I111L74-K78 HydrophobicContact CG-CD 4.46Å; L74-K78 WeakPolarHBondContact O-CG 3.42Å; L74-K78 PolarHBondContact O-N 2.88Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 VanDerWaalsContact O-N 3.16Å; D75-K78 IonicContact OD1-NZ 3.22Å; D75-K78 PolarHBondContact OD1-NZ 2.78Å; K78-A80 VanDerWaalsContact C-N 3.32Å; K78-A80 PolarHBondContact O-N 3.22Å; K78-M81 PolarHBondContact O-N 3.36Å; K78-L82 WeakPolarHBondContact O-CB 3.5Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.92Å; K78-E110 WeakPolarHBondContact CE-OE2 3.23Å; K78-E110 IonicContact NZ-OE2 3.73Å; K78-E110 PolarHBondContact NZ-OE2 3.39Å; K78-I111 HydrophobicContact CG-CD1 3.74Å; K78-I111 HydrophobicContact CG-CG1 4.11Å
79E97.8Very high97.7Very high112 Ų11250.1 Ų50.152%0.52328%0.28SS..Hα-helixtrans-57.8-46.6177.7-72.6172.1-173.500110.9D75 I77 L82 K83D75-E79 WeakPolarHBondContact O-CG 3.35Å; D75-E79 PolarHBondContact O-N 2.89Å; I77-E79 PolarHBondContact O-N 3.4Å; E79-L82 PolarHBondContact O-N 2.87Å; E79-K83 WeakPolarHBondContact O-CB 3.49Å; E79-K83 PolarHBondContact O-N 2.83Å
80A98.4Very high97.6Very high18 Ų1854.2 Ų54.215%0.14929%0.287CS..Hα-helixtrans-66-40.5178.200000112.6L38 L43 L76 I77 K78 K83 A84L38-A80 HydrophobicContact CD1-CB 4.12Å; L38-A80 HydrophobicContact CD2-CB 3.88Å; L43-A80 HydrophobicContact CD1-CB 4.11Å; L43-A80 HydrophobicContact CD2-CB 3.86Å; L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 2.87Å; L76-A80 VanDerWaalsContact O-N 3.1Å; I77-A80 PolarHBondContact O-N 3.12Å; K78-A80 VanDerWaalsContact C-N 3.32Å; K78-A80 PolarHBondContact O-N 3.22Å; A80-K83 PolarHBondContact O-N 2.85Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 2.9Å; A80-A84 PolarHBondContact O-N 2.95Å
81M98.6Very high97.6Very high2 Ų252.5 Ų52.51%0.0128%0.278CS..Hα-helixtrans-63.8-43.2175.1-72.9-178.980.200111.9L4 I11 L38 I77 K78 A84 L85 F92 I94 F107 I111L4-M81 HydrophobicContact CD1-CB 4.13Å; L4-M81 HydrophobicContact CD1-SD 4.33Å; L4-M81 HydrophobicContact CD2-CB 3.69Å; L4-M81 HydrophobicContact CD2-CE 4.28Å; I11-M81 HydrophobicContact CD1-CE 3.78Å; I11-M81 HydrophobicContact CG1-CE 4.21Å; L38-M81 HydrophobicContact CD1-CB 4.22Å; L38-M81 HydrophobicContact CD1-CG 3.39Å; I77-M81 HydrophobicContact CG2-CG 4.12Å; I77-M81 HydrophobicContact CG2-SD 3.86Å; I77-M81 WeakPolarHBondContact O-CB 3.32Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.5Å; I77-M81 PolarHBondContact O-N 2.77Å; K78-M81 PolarHBondContact O-N 3.36Å; M81-A84 PolarHBondContact O-N 3.32Å; M81-L85 WeakPolarHBondContact O-CB 3.29Å; M81-L85 PolarHBondContact O-N 2.99Å; M81-F92 HydrophobicContact CB-CE1 4.08Å; M81-F92 HydrophobicContact CB-CZ 4.24Å; M81-F92 HydrophobicContact CE-CB 4.46Å; M81-F92 HydrophobicContact CE-CD1 4.28Å; M81-F92 HydrophobicContact CE-CD2 3.53Å; M81-F92 HydrophobicContact CE-CE1 4.43Å; M81-F92 HydrophobicContact CE-CE2 3.71Å; M81-F92 HydrophobicContact CE-CG 3.83Å; M81-F92 HydrophobicContact CE-CZ 4.16Å; M81-F92 HydrophobicContact CG-CD1 4.06Å; M81-F92 HydrophobicContact CG-CE1 4.05Å; M81-F92 HydrophobicContact CG-CG 4.49Å; M81-F92 HydrophobicContact CG-CZ 4.45Å; M81-I94 HydrophobicContact CG-CD1 4.41Å; M81-I94 HydrophobicContact SD-CD1 4.22Å; M81-F107 HydrophobicContact CE-CZ 4.22Å; M81-F107 HydrophobicContact SD-CE2 4.04Å; M81-F107 HydrophobicContact SD-CZ 3.9Å; M81-I111 HydrophobicContact CE-CG2 3.88Å; M81-I111 HydrophobicContact SD-CD1 4.11Å; M81-I111 HydrophobicContact SD-CG2 4.19Å
82L98.1Very high97.6Very high66 Ų6648.7 Ų48.735%0.34626%0.26SS..Hα-helixtrans-63.4-44.7177.5-73.8169.3000111.1P3 L4 K78 E79 A84 L85 T86P3-L82 HydrophobicContact CB-CD2 3.89Å; P3-L82 HydrophobicContact CG-CD2 4.17Å; L4-L82 HydrophobicContact CD1-CD2 4.45Å; L4-L82 HydrophobicContact CD1-CG 4.38Å; L4-L82 HydrophobicContact CD2-CD2 4.07Å; L4-L82 HydrophobicContact CD2-CG 4.37Å; L4-L82 HydrophobicContact CG-CD2 3.87Å; L4-L82 HydrophobicContact CG-CG 4.28Å; K78-L82 WeakPolarHBondContact O-CB 3.5Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.92Å; E79-L82 PolarHBondContact O-N 2.87Å; L82-A84 VanDerWaalsContact C-N 3.35Å; L82-A84 PolarHBondContact O-N 3.37Å; L82-L85 WeakPolarHBondContact O-CB 3.49Å; L82-L85 PolarHBondContact O-N 3.41Å; L82-T86 WeakPolarHBondContact O-CG2 3.43Å; L82-T86 PolarHBondContact O-N 3.5Å; L82-T86 VanDerWaalsContact O-N 3.14Å
83K98.4Very high97.7Very high144 Ų14447 Ų4763%0.62625%0.25SC*.Hα-helixtrans-60.3-44.3174.2-178.2178.7179.1179.40111.7E79 A80 L85 T86 L87E79-K83 WeakPolarHBondContact O-CB 3.49Å; E79-K83 PolarHBondContact O-N 2.83Å; A80-K83 PolarHBondContact O-N 2.85Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.33Å; K83-T86 PolarHBondContact O-N 3.35Å; K83-T86 PolarHBondContact O-OG1 2.86Å; K83-L87 HydrophobicContact CG-CD1 4.44Å; K83-L87 WeakPolarHBondContact O-CG 3.19Å; K83-L87 PolarHBondContact O-N 3.36Å
84A98.2Very high97.7Very high10 Ų1046.6 Ų46.68%0.08325%0.247CC..Hα-helixtrans-65.9-32.8177.600000112.7T36 A80 M81 L82 L87 G88 S89 F92T36-A84 HydrophobicContact CG2-CB 3.8Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 2.9Å; A80-A84 PolarHBondContact O-N 2.95Å; M81-A84 PolarHBondContact O-N 3.32Å; L82-A84 VanDerWaalsContact C-N 3.35Å; L82-A84 PolarHBondContact O-N 3.37Å; A84-L87 CarbonylContact O-C 3.51Å; A84-L87 PolarHBondContact O-N 3.1Å; A84-G88 PolarHBondContact O-N 3Å; A84-S89 VanDerWaalsContact O-CB 3.23Å; A84-S89 WeakPolarHBondContact O-CB 3.43Å; A84-S89 PolarHBondContact O-N 3.29Å; A84-F92 HydrophobicContact CB-CE1 3.81Å
85L97.1Very high97.8Very high46 Ų4647 Ų4724%0.24125%0.25CC..Hα-helixtrans-63.8-41.8174.4-175.364.4000111.4P3 L4 A7 L9 M81 L82 K83 L87 G88P3-L85 HydrophobicContact CB-CD2 4.2Å; L4-L85 HydrophobicContact CD2-CD2 4.47Å; A7-L85 HydrophobicContact CB-CD1 3.54Å; A7-L85 HydrophobicContact CB-CD2 3.93Å; A7-L85 HydrophobicContact CB-CG 4.41Å; L9-L85 HydrophobicContact CD1-CD1 3.84Å; M81-L85 WeakPolarHBondContact O-CB 3.29Å; M81-L85 PolarHBondContact O-N 2.99Å; L82-L85 WeakPolarHBondContact O-CB 3.49Å; L82-L85 PolarHBondContact O-N 3.41Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.33Å; L85-L87 PolarHBondContact O-N 2.9Å; L85-G88 PolarHBondContact O-N 2.81Å
86T97.3Very high97.8Very high118 Ų11844.5 Ų44.572%0.72424%0.239SC*.Hα-helixtrans-66.8-23.217671.90000112.9L82 K83 G88L82-T86 WeakPolarHBondContact O-CG2 3.43Å; L82-T86 PolarHBondContact O-N 3.5Å; L82-T86 VanDerWaalsContact O-N 3.14Å; K83-T86 PolarHBondContact O-N 3.35Å; K83-T86 PolarHBondContact O-OG1 2.86Å; T86-G88 VanDerWaalsContact C-N 3.31Å
87L97.6Very high97.8Very high135 Ų13543.9 Ų43.971%0.70724%0.236SC*.THydrogen-bonded Turntrans-88.17.6174-61.7174.3000113.5K83 A84 L85K83-L87 HydrophobicContact CG-CD1 4.44Å; K83-L87 WeakPolarHBondContact O-CG 3.19Å; K83-L87 PolarHBondContact O-N 3.36Å; A84-L87 CarbonylContact O-C 3.51Å; A84-L87 PolarHBondContact O-N 3.1Å; L85-L87 PolarHBondContact O-N 2.9Å
88G96.4Very high97.8Very high42 Ų4244 Ų4443%0.43324%0.237SC..THydrogen-bonded Turntrans81.825.5173.100000115.2A84 L85 T86 K90A84-G88 PolarHBondContact O-N 3Å; L85-G88 PolarHBondContact O-N 2.81Å; T86-G88 VanDerWaalsContact C-N 3.31Å; G88-K90 WeakPolarHBondContact O-CE 3.49Å
89S97.2Very high97.8Very high12 Ų1244.7 Ų44.78%0.08424%0.238CC..  trans-48.2146.9174-175.90000112.5L9 T36 A84 G91L9-S89 WeakPolarHBondContact CD1-O 3.36Å; T36-S89 WeakPolarHBondContact CB-OG 3.28Å; T36-S89 VanDerWaalsContact OG1-CB 3.31Å; T36-S89 WeakPolarHBondContact OG1-CB 3.25Å; T36-S89 PolarHBondContact OG1-OG 3.05Å; A84-S89 VanDerWaalsContact O-CB 3.23Å; A84-S89 WeakPolarHBondContact O-CB 3.43Å; A84-S89 PolarHBondContact O-N 3.29Å; S89-G91 PolarHBondContact OG-N 3.08Å; S89-G91 PolarHBondContact OG-O 3.16Å; S89-G91 VanDerWaalsContact OG-O 3.13Å
90K95.1Very high97.8Very high145 Ų14540.8 Ų40.863%0.6322%0.221SC*.  trans-1102.6178.9-57.3-57178.5-170.60113.5P10 G88P10-K90 WeakPolarHBondContact CD-O 3.47Å; G88-K90 WeakPolarHBondContact O-CE 3.49Å
91G96.9Very high97.8Very high0 Ų041.6 Ų41.60%022%0.224CC..  trans151.6168.1-175.300000111.3P10 T36 S89P10-G91 CarbonylContact O-C 3.51Å; P10-G91 WeakPolarHBondContact O-CA 3.47Å; T36-G91 PolarHBondContact N-O 2.69Å; S89-G91 PolarHBondContact OG-N 3.08Å; S89-G91 PolarHBondContact OG-O 3.16Å; S89-G91 VanDerWaalsContact OG-O 3.13Å
92F98.3Very high97.8Very high4 Ų445.5 Ų45.52%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-129.4134.8-167.2-57.8-83.3000112.5L9 P10 I11 I12 T36 L38 M81 A84 I94L9-F92 HydrophobicContact CB-CD2 4.41Å; L9-F92 HydrophobicContact CB-CE2 4.09Å; L9-F92 HydrophobicContact CD1-CE2 3.93Å; L9-F92 HydrophobicContact CD1-CZ 4.35Å; P10-F92 PolarHBondContact O-N 2.9Å; I11-F92 HydrophobicContact CG1-CB 4.49Å; I11-F92 HydrophobicContact CG1-CD2 4.16Å; I12-F92 PolarHBondContact N-O 2.81Å; T36-F92 WeakPolarHBondContact O-CA 3.46Å; L38-F92 HydrophobicContact CD1-CD1 3.83Å; L38-F92 HydrophobicContact CD1-CE1 4.28Å; L38-F92 HydrophobicContact CG-CD1 4.48Å; M81-F92 HydrophobicContact CB-CE1 4.08Å; M81-F92 HydrophobicContact CB-CZ 4.24Å; M81-F92 HydrophobicContact CE-CB 4.46Å; M81-F92 HydrophobicContact CE-CD1 4.28Å; M81-F92 HydrophobicContact CE-CD2 3.53Å; M81-F92 HydrophobicContact CE-CE1 4.43Å; M81-F92 HydrophobicContact CE-CE2 3.71Å; M81-F92 HydrophobicContact CE-CG 3.83Å; M81-F92 HydrophobicContact CE-CZ 4.16Å; M81-F92 HydrophobicContact CG-CD1 4.06Å; M81-F92 HydrophobicContact CG-CE1 4.05Å; M81-F92 HydrophobicContact CG-CG 4.49Å; M81-F92 HydrophobicContact CG-CZ 4.45Å; A84-F92 HydrophobicContact CB-CE1 3.81Å; F92-I94 HydrophobicContact CB-CD1 3.73Å
93L98.5Very high97.8Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-98.6115.1157.8-61.7168.2000107.4I12 V14 C26 I29 V30 L35 T36 L38I12-L93 HydrophobicContact CB-CD2 4.04Å; I12-L93 HydrophobicContact CD1-CD2 4.42Å; I12-L93 HydrophobicContact CG2-CD2 4.15Å; I12-L93 WeakPolarHBondContact O-CA 3.49Å; V14-L93 HydrophobicContact CG2-CB 4.37Å; V14-L93 HydrophobicContact CG2-CD2 4.11Å; C26-L93 HydrophobicContact CB-CD1 4.2Å; I29-L93 HydrophobicContact CB-CD1 3.8Å; I29-L93 HydrophobicContact CD1-CD1 4.3Å; I29-L93 HydrophobicContact CD1-CD2 4.32Å; I29-L93 HydrophobicContact CG2-CD1 3.66Å; I29-L93 HydrophobicContact CG2-CD2 4.11Å; I29-L93 HydrophobicContact CG2-CG 4.39Å; V30-L93 HydrophobicContact CG2-CD1 4.08Å; L35-L93 HydrophobicContact CB-CD1 4.44Å; L35-L93 HydrophobicContact CB-CG 4.14Å; L35-L93 HydrophobicContact CD1-CD2 3.85Å; L35-L93 HydrophobicContact CD1-CG 3.96Å; T36-L93 PolarHBondContact O-N 3.37Å; L38-L93 PolarHBondContact N-O 3.29Å
94I98.8Very high97.8Very high0 Ų035.8 Ų35.80%020%0.203CC..EExtended strand (participates in β ladder)trans-98.299.2173.7-40.7-60.8000108I11 I12 F13 V14 L38 I77 M81 F92 F97 F107I11-I94 HydrophobicContact CG2-CG1 3.85Å; I12-I94 PolarHBondContact O-N 3.09Å; F13-I94 HydrophobicContact CD1-CB 3.93Å; F13-I94 HydrophobicContact CD1-CG1 4.03Å; F13-I94 HydrophobicContact CE1-CB 4.36Å; F13-I94 HydrophobicContact CE1-CG1 4.14Å; V14-I94 PolarHBondContact N-O 3.44Å; L38-I94 HydrophobicContact CB-CD1 4.31Å; L38-I94 HydrophobicContact CD1-CD1 4.17Å; L38-I94 CarbonylContact O-C 3.56Å; L38-I94 WeakPolarHBondContact O-CA 3.35Å; I77-I94 HydrophobicContact CD1-CG2 3.98Å; I77-I94 HydrophobicContact CG2-CD1 4.34Å; I77-I94 HydrophobicContact CG2-CG2 4.28Å; M81-I94 HydrophobicContact CG-CD1 4.41Å; M81-I94 HydrophobicContact SD-CD1 4.22Å; F92-I94 HydrophobicContact CB-CD1 3.73Å; I94-F97 HydrophobicContact CG2-CB 3.7Å; I94-F97 HydrophobicContact CG2-CD1 4.16Å; I94-F97 HydrophobicContact CG2-CG 4.17Å; I94-F107 HydrophobicContact CG1-CE2 4.32Å; I94-F107 HydrophobicContact CG1-CZ 4.26Å
95D98.6Very high97.9Very high9 Ų939.5 Ų39.55%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-89.5131.4-174.4176.714.5000112.4V14 K22 G23 H37 L38 S39 S40 F97V14-D95 HydrophobicContact CB-CB 4.43Å; K22-D95 WeakPolarHBondContact CB-OD1 3.37Å; K22-D95 WeakPolarHBondContact CD-OD1 3.49Å; K22-D95 WeakPolarHBondContact CE-OD1 3.41Å; G23-D95 VanDerWaalsContact CA-OD2 3.24Å; G23-D95 WeakPolarHBondContact CA-OD2 3.41Å; G23-D95 PolarHBondContact N-OD2 3.39Å; H37-D95 IonicContact CE1-OD2 3.54Å; H37-D95 WeakPolarHBondContact NE2-CB 3.5Å; H37-D95 IonicContact NE2-OD2 2.72Å; H37-D95 PolarHBondContact NE2-OD2 3.16Å; L38-D95 PolarHBondContact O-N 2.93Å; S39-D95 WeakPolarHBondContact CA-O 3.4Å; S40-D95 PolarHBondContact N-O 3.09Å; S40-D95 PolarHBondContact OG-O 2.88Å; D95-F97 VanDerWaalsContact C-N 3.29Å
96G97.4Very high97.9Very high14 Ų1440.5 Ų40.514%0.14422%0.221CC..THydrogen-bonded Turntrans73.525.2-177.600000112.2V14 S40 R99V14-G96 PolarHBondContact O-N 3.3Å; S40-G96 PolarHBondContact OG-O 2.61Å; G96-R99 WeakPolarHBondContact O-CD 3.41Å; G96-R99 WeakPolarHBondContact O-CG 3.34Å
97F98.6Very high98Very high0 Ų034.9 Ų34.90%019%0.187CC..BIsolated β-bridgetrans-148.6146.1176-172.2-84.2000109.9F13 V73 I77 I94 D95 Q103 F107F13-F97 HydrophobicContact CE1-CD1 4.21Å; F13-F97 HydrophobicContact CE1-CE1 4.46Å; F13-F97 HydrophobicContact CZ-CE1 4.4Å; V73-F97 HydrophobicContact CG1-CD2 3.88Å; V73-F97 HydrophobicContact CG1-CE2 4.08Å; I77-F97 HydrophobicContact CD1-CB 4.18Å; I77-F97 HydrophobicContact CD1-CD1 4.34Å; I77-F97 HydrophobicContact CD1-CD2 3.61Å; I77-F97 HydrophobicContact CD1-CE2 4.01Å; I77-F97 HydrophobicContact CD1-CG 3.78Å; I94-F97 HydrophobicContact CG2-CB 3.7Å; I94-F97 HydrophobicContact CG2-CD1 4.16Å; I94-F97 HydrophobicContact CG2-CG 4.17Å; D95-F97 VanDerWaalsContact C-N 3.29Å; F97-Q103 HydrophobicContact CD2-CB 4.49Å; F97-Q103 HydrophobicContact CE1-CB 4.39Å; F97-Q103 HydrophobicContact CE2-CB 3.69Å; F97-Q103 HydrophobicContact CE2-CG 3.83Å; F97-Q103 HydrophobicContact CZ-CB 3.63Å; F97-Q103 HydrophobicContact CZ-CG 4.23Å; F97-Q103 VanDerWaalsContact CZ-O 3.27Å; F97-Q103 WeakPolarHBondContact CZ-O 3.31Å; F97-F107 HydrophobicContact CD1-CD2 4.25Å; F97-F107 HydrophobicContact CE1-CB 3.66Å; F97-F107 AromaticContact CE1-CD2 3.6Å; F97-F107 HydrophobicContact CE1-CD2 3.6Å; F97-F107 AromaticContact CE1-CG 3.89Å; F97-F107 HydrophobicContact CE1-CG 3.89Å; F97-F107 HydrophobicContact CZ-CB 4Å; F97-F107 HydrophobicContact CZ-CD2 4.17Å
98P98.6Very high98Very high1 Ų129.6 Ų29.61%0.00616%0.158CC..  cis-74.6154.5-9.830.6-33000111.7F13 D100 Q103 G104 V162 Y166F13-P98 VanDerWaalsContact CD2-CD 3.42Å; F13-P98 HydrophobicContact CD2-CG 4.09Å; F13-P98 HydrophobicContact CE2-CG 4.27Å; P98-D100 WeakPolarHBondContact CB-O 3.24Å; P98-Q103 HydrophobicContact CB-CB 3.59Å; P98-G104 VanDerWaalsContact CB-N 3.35Å; P98-V162 HydrophobicContact CG-CG1 3.76Å; P98-Y166 HydrophobicContact CG-CE2 3.93Å
99R98.1Very high98Very high60 Ų6030.7 Ų30.723%0.22616%0.163CC..SBendtrans-106.8-3177.1-57.7-168.974.8-164.9-0.1113.1L67 G96 Q158 T159L67-R99 HydrophobicContact CD1-CB 3.92Å; L67-R99 HydrophobicContact CD2-CB 3.9Å; L67-R99 HydrophobicContact CD2-CG 4.47Å; G96-R99 WeakPolarHBondContact O-CD 3.41Å; G96-R99 WeakPolarHBondContact O-CG 3.34Å; R99-Q158 CarbonylContact O-C 3.21Å; R99-T159 WeakPolarHBondContact O-CA 3.3Å; R99-T159 WeakPolarHBondContact O-CB 3.27Å; R99-T159 PolarHBondContact O-N 2.99Å; R99-T159 VanDerWaalsContact O-N 3.15Å; R99-T159 PolarHBondContact O-OG1 3.5Å
100D98.3Very high97.9Very high30 Ų3032.8 Ų32.816%0.1617%0.172CC..SBendtrans-149.7167.8166.664.561.1000109.3P98 T102 Q103 Q158 V162P98-D100 WeakPolarHBondContact CB-O 3.24Å; D100-T102 WeakPolarHBondContact OD1-CB 3.11Å; D100-T102 PolarHBondContact OD1-N 3.2Å; D100-Q103 WeakPolarHBondContact O-CB 3.43Å; D100-Q103 WeakPolarHBondContact OD1-CB 3.22Å; D100-Q103 WeakPolarHBondContact OD1-CG 3.42Å; D100-Q103 PolarHBondContact OD1-N 2.68Å; D100-Q103 VanDerWaalsContact OD2-CD 3.27Å; D100-Q103 WeakPolarHBondContact OD2-CG 3.31Å; D100-Q103 PolarHBondContact OD2-NE2 3.16Å; D100-Q158 WeakPolarHBondContact CA-O 3.4Å; D100-Q158 HydrophobicContact CB-CB 4.44Å; D100-V162 WeakPolarHBondContact O-CG2 3.37Å
101V98.4Very high98Very high35 Ų3526 Ų2621%0.21214%0.143CC..Hα-helixtrans-67.2-40.6-175.41740000111.8Q103 G104 E105 P161 V162 Y165V101-Q103 VanDerWaalsContact C-N 3.27Å; V101-Q103 PolarHBondContact O-N 3.39Å; V101-G104 WeakPolarHBondContact O-CA 3.47Å; V101-G104 PolarHBondContact O-N 3.3Å; V101-E105 HydrophobicContact CG1-CG 4.25Å; V101-E105 PolarHBondContact O-N 2.88Å; V101-P161 HydrophobicContact CG2-CB 4.16Å; V101-V162 HydrophobicContact CG2-CG2 4.44Å; V101-Y165 HydrophobicContact CG1-CD1 4.19Å; V101-Y165 HydrophobicContact CG1-CD2 3.5Å; V101-Y165 VanDerWaalsContact CG1-CD2 3.5Å; V101-Y165 HydrophobicContact CG1-CE1 4.24Å; V101-Y165 HydrophobicContact CG1-CE2 3.55Å; V101-Y165 HydrophobicContact CG1-CG 3.82Å; V101-Y165 HydrophobicContact CG2-CD2 4.37Å; V101-Y165 HydrophobicContact CG2-CG 4.2Å
102T98.3Very high98Very high85 Ų8528.4 Ų28.452%0.52116%0.155SC..Hα-helixtrans-60.9-36.3-179.2-50.60000111.9L70 D100 E105 K106L70-T102 HydrophobicContact CD2-CG2 4.12Å; D100-T102 WeakPolarHBondContact OD1-CB 3.11Å; D100-T102 PolarHBondContact OD1-N 3.2Å; T102-E105 PolarHBondContact O-N 3.47Å; T102-K106 VanDerWaalsContact O-CB 3.28Å; T102-K106 WeakPolarHBondContact O-CB 3.4Å; T102-K106 PolarHBondContact O-N 3.22Å
103Q98.6Very high97.9Very high6 Ų631.4 Ų31.43%0.02818%0.175CC..Hα-helixtrans-57-47.6171.1-81.61771900112L70 F97 P98 D100 V101 F107L70-Q103 HydrophobicContact CD1-CB 4.06Å; L70-Q103 HydrophobicContact CD1-CG 3.48Å; L70-Q103 VanDerWaalsContact CD1-CG 3.48Å; F97-Q103 HydrophobicContact CD2-CB 4.49Å; F97-Q103 HydrophobicContact CE1-CB 4.39Å; F97-Q103 HydrophobicContact CE2-CB 3.69Å; F97-Q103 HydrophobicContact CE2-CG 3.83Å; F97-Q103 HydrophobicContact CZ-CB 3.63Å; F97-Q103 HydrophobicContact CZ-CG 4.23Å; F97-Q103 VanDerWaalsContact CZ-O 3.27Å; F97-Q103 WeakPolarHBondContact CZ-O 3.31Å; P98-Q103 HydrophobicContact CB-CB 3.59Å; D100-Q103 WeakPolarHBondContact O-CB 3.43Å; D100-Q103 WeakPolarHBondContact OD1-CB 3.22Å; D100-Q103 WeakPolarHBondContact OD1-CG 3.42Å; D100-Q103 PolarHBondContact OD1-N 2.68Å; D100-Q103 VanDerWaalsContact OD2-CD 3.27Å; D100-Q103 WeakPolarHBondContact OD2-CG 3.31Å; D100-Q103 PolarHBondContact OD2-NE2 3.16Å; V101-Q103 VanDerWaalsContact C-N 3.27Å; V101-Q103 PolarHBondContact O-N 3.39Å; Q103-F107 VanDerWaalsContact O-CB 3.31Å; Q103-F107 WeakPolarHBondContact O-CB 3.29Å; Q103-F107 PolarHBondContact O-N 2.89Å
104G98.6Very high97.9Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-61.9-48176.900000111.8P98 V101 F107 E108 Y166P98-G104 VanDerWaalsContact CB-N 3.35Å; V101-G104 WeakPolarHBondContact O-CA 3.47Å; V101-G104 PolarHBondContact O-N 3.3Å; G104-F107 PolarHBondContact O-N 3.49Å; G104-E108 WeakPolarHBondContact O-CG 3.35Å; G104-E108 PolarHBondContact O-N 3.44Å; G104-Y166 VanDerWaalsContact CA-OH 3.31Å; G104-Y166 WeakPolarHBondContact CA-OH 3.32Å
105E98.5Very high97.8Very high88 Ų8833.6 Ų33.641%0.41119%0.192SC..Hα-helixtrans-61.3-48.1-179-70.7-17914900112.8V101 T102 F107 E108 A109 Y165V101-E105 HydrophobicContact CG1-CG 4.25Å; V101-E105 PolarHBondContact O-N 2.88Å; T102-E105 PolarHBondContact O-N 3.47Å; E105-F107 PolarHBondContact O-N 3.33Å; E105-E108 PolarHBondContact O-N 2.8Å; E105-A109 WeakPolarHBondContact O-CB 3.17Å; E105-A109 PolarHBondContact O-N 2.68Å; E105-Y165 HydrophobicContact CG-CE1 4.4Å; E105-Y165 WeakPolarHBondContact CG-OH 3.45Å; E105-Y165 WeakPolarHBondContact OE1-CE2 3.46Å; E105-Y165 PolarHBondContact OE1-OH 3.25Å
106K98.4Very high97.7Very high66 Ų6635.8 Ų35.829%0.28720%0.202SC..Hα-helixtrans-63.2-42.9178.6-174.370.8155.5164.50111.4L70 E71 L74 T102 A109 E110L70-K106 HydrophobicContact CD1-CB 4.29Å; L70-K106 HydrophobicContact CD1-CG 4.42Å; L70-K106 HydrophobicContact CD2-CB 4.07Å; L70-K106 HydrophobicContact CD2-CG 4.07Å; L70-K106 HydrophobicContact CG-CG 4.49Å; E71-K106 WeakPolarHBondContact OE1-CE 3.41Å; E71-K106 IonicContact OE1-NZ 3.69Å; L74-K106 HydrophobicContact CD2-CB 4.43Å; L74-K106 HydrophobicContact CD2-CG 3.53Å; T102-K106 VanDerWaalsContact O-CB 3.28Å; T102-K106 WeakPolarHBondContact O-CB 3.4Å; T102-K106 PolarHBondContact O-N 3.22Å; K106-A109 PolarHBondContact O-N 2.66Å; K106-E110 HydrophobicContact CD-CG 4.41Å; K106-E110 WeakPolarHBondContact CD-OE1 3.06Å; K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 IonicContact NZ-OE1 2.61Å; K106-E110 PolarHBondContact NZ-OE1 3.02Å; K106-E110 WeakPolarHBondContact O-CG 3.35Å; K106-E110 PolarHBondContact O-N 2.95Å; K106-E110 VanDerWaalsContact O-N 3.08Å
107F98.4Very high97.8Very high0 Ų035.1 Ų35.10%020%0.196CC..Hα-helixtrans-58.9-51.3174.6-177.6-70.3000111.3I11 F13 L74 I77 M81 I94 F97 Q103 G104 E105 A109 E110 I111 L112I11-F107 HydrophobicContact CD1-CE1 3.73Å; I11-F107 HydrophobicContact CD1-CZ 3.89Å; I11-F107 HydrophobicContact CG2-CE1 3.95Å; I11-F107 HydrophobicContact CG2-CZ 3.91Å; F13-F107 AromaticContact CE1-CD1 3.77Å; F13-F107 HydrophobicContact CE1-CD1 3.77Å; F13-F107 HydrophobicContact CE1-CD2 4.18Å; F13-F107 AromaticContact CE1-CE1 3.68Å; F13-F107 HydrophobicContact CE1-CE1 3.68Å; F13-F107 HydrophobicContact CE1-CE2 4.09Å; F13-F107 HydrophobicContact CE1-CG 4.04Å; F13-F107 AromaticContact CE1-CZ 3.85Å; F13-F107 HydrophobicContact CE1-CZ 3.85Å; F13-F107 HydrophobicContact CZ-CB 4.23Å; F13-F107 AromaticContact CZ-CD1 3.39Å; F13-F107 HydrophobicContact CZ-CD1 3.39Å; F13-F107 HydrophobicContact CZ-CD2 4.3Å; F13-F107 AromaticContact CZ-CE1 3.75Å; F13-F107 HydrophobicContact CZ-CE1 3.75Å; F13-F107 AromaticContact CZ-CG 3.72Å; F13-F107 HydrophobicContact CZ-CG 3.72Å; F13-F107 HydrophobicContact CZ-CZ 4.34Å; L74-F107 HydrophobicContact CD1-CB 4.19Å; L74-F107 HydrophobicContact CD1-CD2 3.83Å; L74-F107 HydrophobicContact CD1-CG 4.37Å; I77-F107 HydrophobicContact CG2-CE2 3.87Å; M81-F107 HydrophobicContact CE-CZ 4.22Å; M81-F107 HydrophobicContact SD-CE2 4.04Å; M81-F107 HydrophobicContact SD-CZ 3.9Å; I94-F107 HydrophobicContact CG1-CE2 4.32Å; I94-F107 HydrophobicContact CG1-CZ 4.26Å; F97-F107 HydrophobicContact CD1-CD2 4.25Å; F97-F107 HydrophobicContact CE1-CB 3.66Å; F97-F107 AromaticContact CE1-CD2 3.6Å; F97-F107 HydrophobicContact CE1-CD2 3.6Å; F97-F107 AromaticContact CE1-CG 3.89Å; F97-F107 HydrophobicContact CE1-CG 3.89Å; F97-F107 HydrophobicContact CZ-CB 4Å; F97-F107 HydrophobicContact CZ-CD2 4.17Å; Q103-F107 VanDerWaalsContact O-CB 3.31Å; Q103-F107 WeakPolarHBondContact O-CB 3.29Å; Q103-F107 PolarHBondContact O-N 2.89Å; G104-F107 PolarHBondContact O-N 3.49Å; E105-F107 PolarHBondContact O-N 3.33Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 3.34Å; F107-E110 PolarHBondContact O-N 3.08Å; F107-I111 HydrophobicContact CD1-CB 4.19Å; F107-I111 HydrophobicContact CD1-CD1 4.31Å; F107-I111 HydrophobicContact CD2-CD1 3.55Å; F107-I111 HydrophobicContact CE1-CB 3.93Å; F107-I111 HydrophobicContact CE1-CD1 4.18Å; F107-I111 HydrophobicContact CE1-CG2 3.94Å; F107-I111 HydrophobicContact CE2-CD1 3.39Å; F107-I111 HydrophobicContact CG-CD1 4.01Å; F107-I111 HydrophobicContact CZ-CB 4.16Å; F107-I111 HydrophobicContact CZ-CD1 3.73Å; F107-I111 HydrophobicContact CZ-CG2 3.95Å; F107-I111 WeakPolarHBondContact O-CB 3.48Å; F107-I111 PolarHBondContact O-N 3.45Å; F107-L112 WeakPolarHBondContact CE1-O 3.26Å
108E97.9Very high97.8Very high24 Ų2435.1 Ų35.111%0.11220%0.196CC..Hα-helixtrans-64.3-32.5-176.7-66.1-164.6133.300111.8F13 G104 E105 P113 C114 K169 K171F13-E108 HydrophobicContact CE2-CG 4.5Å; G104-E108 WeakPolarHBondContact O-CG 3.35Å; G104-E108 PolarHBondContact O-N 3.44Å; E105-E108 PolarHBondContact O-N 2.8Å; E108-P113 WeakPolarHBondContact OE1-CA 3.5Å; E108-C114 PolarHBondContact OE1-N 2.83Å; E108-C114 PolarHBondContact OE1-SG 2.7Å; E108-K169 IonicContact OE2-NZ 3.16Å; E108-K169 PolarHBondContact OE2-NZ 3.26Å; E108-K171 IonicContact OE1-NZ 3.81Å; E108-K171 PolarHBondContact OE1-NZ 3.25Å; E108-K171 VanDerWaalsContact OE1-NZ 3.16Å
109A96.6Very high97.7Very high65 Ų6535.2 Ų35.254%0.53720%0.196SC..Hα-helixtrans-69.4-42.8175.800000113.1K5 E105 K106 F107K5-A109 PolarHBondContact NZ-O 3.21Å; E105-A109 WeakPolarHBondContact O-CB 3.17Å; E105-A109 PolarHBondContact O-N 2.68Å; K106-A109 PolarHBondContact O-N 2.66Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 3.34Å
110E95.6Very high97.8Very high57 Ų5732.4 Ų32.427%0.26619%0.185SC..Hα-helixtrans-91.3-31.7-172-66.1-169.2-179.200114.2K5 K78 K106 F107K5-E110 VanDerWaalsContact CE-O 3.29Å; K5-E110 WeakPolarHBondContact CE-O 3.41Å; K78-E110 WeakPolarHBondContact CE-OE2 3.23Å; K78-E110 IonicContact NZ-OE2 3.73Å; K78-E110 PolarHBondContact NZ-OE2 3.39Å; K106-E110 HydrophobicContact CD-CG 4.41Å; K106-E110 WeakPolarHBondContact CD-OE1 3.06Å; K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 IonicContact NZ-OE1 2.61Å; K106-E110 PolarHBondContact NZ-OE1 3.02Å; K106-E110 WeakPolarHBondContact O-CG 3.35Å; K106-E110 PolarHBondContact O-N 2.95Å; K106-E110 VanDerWaalsContact O-N 3.08Å; F107-E110 PolarHBondContact O-N 3.08Å
111I96.6Very high97.8Very high3 Ų334 Ų342%0.01519%0.194CC..THydrogen-bonded Turntrans-108.1-83.9-176.3-60.9163.1000109.4L4 K5 I11 L74 K78 M81 F107L4-I111 HydrophobicContact CB-CG2 4.05Å; L4-I111 HydrophobicContact CD1-CG1 4.07Å; L4-I111 HydrophobicContact CD1-CG2 3.96Å; K5-I111 WeakPolarHBondContact CE-O 3.48Å; K5-I111 WeakPolarHBondContact CG-O 3.48Å; I11-I111 HydrophobicContact CD1-CG2 3.93Å; L74-I111 HydrophobicContact CD1-CD1 3.81Å; K78-I111 HydrophobicContact CG-CD1 3.74Å; K78-I111 HydrophobicContact CG-CG1 4.11Å; M81-I111 HydrophobicContact CE-CG2 3.88Å; M81-I111 HydrophobicContact SD-CD1 4.11Å; M81-I111 HydrophobicContact SD-CG2 4.19Å; F107-I111 HydrophobicContact CD1-CB 4.19Å; F107-I111 HydrophobicContact CD1-CD1 4.31Å; F107-I111 HydrophobicContact CD2-CD1 3.55Å; F107-I111 HydrophobicContact CE1-CB 3.93Å; F107-I111 HydrophobicContact CE1-CD1 4.18Å; F107-I111 HydrophobicContact CE1-CG2 3.94Å; F107-I111 HydrophobicContact CE2-CD1 3.39Å; F107-I111 HydrophobicContact CG-CD1 4.01Å; F107-I111 HydrophobicContact CZ-CB 4.16Å; F107-I111 HydrophobicContact CZ-CD1 3.73Å; F107-I111 HydrophobicContact CZ-CG2 3.95Å; F107-I111 WeakPolarHBondContact O-CB 3.48Å; F107-I111 PolarHBondContact O-N 3.45Å
112L96.2Very high97.8Very high50 Ų5033 Ų3326%0.26219%0.188SC..  trans-166.7148.8178.5-169.870000108.5I11 F107 C114I11-L112 HydrophobicContact CD1-CB 3.9Å; F107-L112 WeakPolarHBondContact CE1-O 3.26Å; L112-C114 PolarHBondContact O-N 2.83Å
113P97.3Very high97.7Very high67 Ų6731.2 Ų31.244%0.43518%0.179SC..  trans-51.3135.5166.5-28.337000112.1E108E108-P113 WeakPolarHBondContact OE1-CA 3.5Å
114C97.9Very high97.7Very high3 Ų335 Ų352%0.0220%0.197CC..  trans-65146171.4660000109.7I11 F13 E108 L112 Y166 K171I11-C114 HydrophobicContact CG2-CB 4.42Å; I11-C114 CarbonylContact O-C 3.53Å; I11-C114 WeakPolarHBondContact O-CA 3.26Å; F13-C114 HydrophobicContact CD1-CB 4.23Å; F13-C114 HydrophobicContact CD2-CB 3.64Å; F13-C114 HydrophobicContact CE1-CB 4.21Å; F13-C114 HydrophobicContact CE2-CB 3.6Å; F13-C114 HydrophobicContact CG-CB 3.98Å; F13-C114 HydrophobicContact CZ-CB 3.91Å; E108-C114 PolarHBondContact OE1-N 2.83Å; E108-C114 PolarHBondContact OE1-SG 2.7Å; L112-C114 PolarHBondContact O-N 2.83Å; C114-Y166 WeakPolarHBondContact SG-CE1 3.42Å; C114-K171 WeakPolarHBondContact O-CD 3.47Å; C114-K171 VanDerWaalsContact O-CE 3.31Å; C114-K171 WeakPolarHBondContact O-CE 3.5Å; C114-K171 PolarHBondContact O-NZ 3.1Å
115A96.4Very high97.7Very high42 Ų4240.4 Ų40.435%0.34723%0.225SC..SBendtrans-71.9-49.8171.100000109.8I11I11-A115 PolarHBondContact O-N 3.48Å
116H97.2Very high97.7Very high56 Ų5637.4 Ų37.426%0.25921%0.213SC..EExtended strand (participates in β ladder)trans-144.4161.8-176.5-65.3-72.6000112.3I12 F13 K171 L195I12-H116 VanDerWaalsContact CA-O 3.32Å; I12-H116 WeakPolarHBondContact CA-O 3.37Å; I12-H116 HydrophobicContact CG1-CB 4.49Å; F13-H116 PolarHBondContact N-O 3.32Å; H116-K171 WeakPolarHBondContact CA-O 3.34Å; H116-L195 HydrophobicContact CB-CD1 3.7Å; H116-L195 VanDerWaalsContact CE1-CD2 3.45Å; H116-L195 WeakPolarHBondContact CE1-CD2 3.47Å; H116-L195 WeakPolarHBondContact NE2-CD2 3.35Å
117V98.4Very high97.7Very high0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-122.3119170.6-175.60000108.9F13 V15 Y166 K171 L172 A173F13-V117 HydrophobicContact CB-CB 4.45Å; F13-V117 HydrophobicContact CB-CG1 4.17Å; F13-V117 HydrophobicContact CB-CG2 4.05Å; F13-V117 HydrophobicContact CD2-CG2 4.12Å; F13-V117 CarbonylContact O-C 3.52Å; F13-V117 WeakPolarHBondContact O-CA 3.42Å; V15-V117 HydrophobicContact CB-CG1 4.12Å; V15-V117 HydrophobicContact CG2-CG1 3.71Å; V117-Y166 HydrophobicContact CB-CG 4.44Å; V117-Y166 HydrophobicContact CG2-CD1 3.62Å; V117-Y166 HydrophobicContact CG2-CD2 3.9Å; V117-Y166 HydrophobicContact CG2-CE1 4.21Å; V117-Y166 HydrophobicContact CG2-CE2 4.44Å; V117-Y166 HydrophobicContact CG2-CG 3.46Å; V117-Y166 VanDerWaalsContact CG2-CG 3.46Å; V117-K171 PolarHBondContact N-O 2.95Å; V117-L172 HydrophobicContact CB-CD1 4.1Å; V117-L172 HydrophobicContact CG1-CD1 3.89Å; V117-L172 CarbonylContact O-C 3.6Å; V117-L172 WeakPolarHBondContact O-CA 3.39Å; V117-A173 PolarHBondContact O-N 3.23Å
118L98.5Very high97.6Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-88.2113.9169.4-59.9-179.1000108.7I12 F13 V14 V15 I29 F120 A173 V191 M192I12-L118 HydrophobicContact CG2-CD1 4.08Å; I12-L118 HydrophobicContact CG2-CG 3.79Å; F13-L118 PolarHBondContact O-N 3Å; V14-L118 HydrophobicContact CG2-CB 4.48Å; V14-L118 HydrophobicContact CG2-CD1 4.42Å; V15-L118 PolarHBondContact N-O 3.34Å; I29-L118 HydrophobicContact CD1-CD1 3.85Å; L118-F120 HydrophobicContact CB-CE2 4Å; L118-A173 HydrophobicContact CD2-CB 4.14Å; L118-V191 HydrophobicContact CD2-CG1 3.68Å; L118-M192 HydrophobicContact CD1-SD 4.01Å
119F98.6Very high97.6Very high3 Ų342.1 Ų42.11%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-104.1114.5176.4170.9-124000111.1V15 D121 F155 V163 L172 A173 Q174 I175V15-F119 HydrophobicContact CG1-CD2 4.26Å; V15-F119 CarbonylContact O-C 3.59Å; V15-F119 WeakPolarHBondContact O-CA 3.16Å; F119-D121 HydrophobicContact CD1-CB 4.18Å; F119-D121 HydrophobicContact CE1-CB 3.63Å; F119-D121 HydrophobicContact CZ-CB 4.02Å; F119-D121 PolarHBondContact O-N 2.76Å; F119-F155 HydrophobicContact CE2-CE2 4.45Å; F119-F155 HydrophobicContact CE2-CZ 4.14Å; F119-V163 HydrophobicContact CD1-CG1 3.68Å; F119-V163 HydrophobicContact CD1-CG2 4.08Å; F119-V163 HydrophobicContact CD2-CG2 3.65Å; F119-V163 HydrophobicContact CE1-CG1 3.87Å; F119-V163 HydrophobicContact CE1-CG2 4.05Å; F119-V163 HydrophobicContact CE2-CG2 3.62Å; F119-V163 HydrophobicContact CG-CG1 4.14Å; F119-V163 HydrophobicContact CG-CG2 3.89Å; F119-V163 HydrophobicContact CZ-CG1 4.46Å; F119-V163 HydrophobicContact CZ-CG2 3.84Å; F119-L172 HydrophobicContact CB-CD1 3.68Å; F119-L172 HydrophobicContact CB-CG 4.26Å; F119-A173 PolarHBondContact N-O 2.93Å; F119-Q174 HydrophobicContact CD1-CB 4.36Å; F119-Q174 HydrophobicContact CD1-CG 3.87Å; F119-Q174 HydrophobicContact CE1-CG 4.34Å; F119-I175 PolarHBondContact O-N 3.4Å
120F98.7Very high97.6Very high1 Ų142.5 Ų42.50%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-87.199.3176.9-73-95000110V14 V15 K22 Q25 L118 I175 A177 I184 V188V14-F120 HydrophobicContact CG1-CD2 3.83Å; V14-F120 HydrophobicContact CG1-CE2 3.54Å; V15-F120 PolarHBondContact O-N 3.03Å; K22-F120 HydrophobicContact CG-CB 4.29Å; K22-F120 HydrophobicContact CG-CD2 3.85Å; K22-F120 HydrophobicContact CG-CG 4.18Å; Q25-F120 HydrophobicContact CB-CE1 3.64Å; Q25-F120 HydrophobicContact CB-CZ 3.6Å; Q25-F120 HydrophobicContact CG-CD1 4.32Å; Q25-F120 HydrophobicContact CG-CE1 3.53Å; Q25-F120 HydrophobicContact CG-CZ 4.05Å; L118-F120 HydrophobicContact CB-CE2 4Å; F120-I175 HydrophobicContact CD1-CB 4.3Å; F120-I175 HydrophobicContact CD1-CG2 4.15Å; F120-I175 HydrophobicContact CE1-CB 4.32Å; F120-I175 HydrophobicContact CE1-CG2 3.97Å; F120-A177 HydrophobicContact CB-CB 3.91Å; F120-A177 HydrophobicContact CD1-CB 3.84Å; F120-A177 HydrophobicContact CG-CB 4.39Å; F120-I184 HydrophobicContact CD1-CG2 4.26Å; F120-I184 HydrophobicContact CE1-CG2 3.97Å; F120-V188 HydrophobicContact CE1-CG2 3.66Å; F120-V188 HydrophobicContact CZ-CG2 3.62Å
121D98.3Very high97.6Very high63 Ų6339.8 Ų39.834%0.33721%0.211SC..EExtended strand (participates in β ladder)trans-90.6123.4-178.4-173.824.6000111F119 Q174 I175 A177F119-D121 HydrophobicContact CD1-CB 4.18Å; F119-D121 HydrophobicContact CE1-CB 3.63Å; F119-D121 HydrophobicContact CZ-CB 4.02Å; F119-D121 PolarHBondContact O-N 2.76Å; D121-Q174 HydrophobicContact CB-CG 4Å; D121-Q174 PolarHBondContact OD2-NE2 3.49Å; D121-I175 PolarHBondContact N-O 3.3Å; D121-A177 WeakPolarHBondContact O-CB 3.29Å; D121-A177 PolarHBondContact O-N 2.92Å
122V98.1Very high97.5Very high14 Ų1443.3 Ų43.39%0.08523%0.229CC..  trans-155.2147-171.9550000109.4S20 T126 M127 A177S20-V122 VanDerWaalsContact CB-CG1 3.43Å; V122-T126 HydrophobicContact CG2-CG2 3.4Å; V122-M127 HydrophobicContact CB-CG 4.43Å; V122-M127 HydrophobicContact CG1-CE 4.42Å; V122-M127 HydrophobicContact CG1-CG 3.39Å; V122-M127 HydrophobicContact CG1-SD 3.71Å; V122-M127 HydrophobicContact CG2-CG 4.23Å; V122-A177 HydrophobicContact CB-CB 4.12Å
123S98Very high97.5Very high48 Ų4843 Ų4334%0.33624%0.237SC..  trans-62.2149.8176.460.80000112.7D125 T126 M127 E178S123-D125 PolarHBondContact O-N 2.91Å; S123-T126 PolarHBondContact O-N 3Å; S123-T126 VanDerWaalsContact OG-CB 3.27Å; S123-T126 WeakPolarHBondContact OG-CB 3.26Å; S123-T126 PolarHBondContact OG-N 3.01Å; S123-T126 PolarHBondContact OG-OG1 2.99Å; S123-T126 VanDerWaalsContact OG-OG1 3.06Å; S123-M127 WeakPolarHBondContact O-CG 3.46Å; S123-M127 PolarHBondContact O-N 3.3Å; S123-E178 VanDerWaalsContact CB-OE1 3.26Å; S123-E178 WeakPolarHBondContact CB-OE1 3.37Å; S123-E178 PolarHBondContact N-OE1 3.42Å; S123-E178 PolarHBondContact OG-OE1 3.29Å
124E97.5Very high97.3Very high86 Ų8643 Ų4340%0.40223%0.229SC..Hα-helixtrans-59.2-36.5175-171.4166.6148.100112M127 T128 L152E124-M127 HydrophobicContact CB-CE 4.37Å; E124-M127 PolarHBondContact O-N 3.19Å; E124-T128 WeakPolarHBondContact O-CB 3.4Å; E124-T128 PolarHBondContact O-N 3.05Å; E124-T128 PolarHBondContact O-OG1 2.81Å; E124-L152 HydrophobicContact CG-CD1 3.73Å; E124-L152 HydrophobicContact CG-CD2 4.05Å; E124-L152 HydrophobicContact CG-CG 4.36Å
125D98Very high97.1Very high112 Ų11243.9 Ų43.960%0.59924%0.238SC*.Hα-helixtrans-63.1-47.5175.8-73-8.2000112S123 T128 K129S123-D125 PolarHBondContact O-N 2.91Å; D125-T128 PolarHBondContact O-N 2.99Å; D125-K129 WeakPolarHBondContact O-CB 3.43Å; D125-K129 VanDerWaalsContact O-CG 3.3Å; D125-K129 WeakPolarHBondContact O-CG 3.14Å; D125-K129 PolarHBondContact O-N 3.37Å
126T98.4Very high96.8Very high26 Ų2646.4 Ų46.416%0.1626%0.259CS..Hα-helixtrans-64.1-42.5176.7-69.90000110.9V122 S123 K129 R130 E178V122-T126 HydrophobicContact CG2-CG2 3.4Å; S123-T126 PolarHBondContact O-N 3Å; S123-T126 VanDerWaalsContact OG-CB 3.27Å; S123-T126 WeakPolarHBondContact OG-CB 3.26Å; S123-T126 PolarHBondContact OG-N 3.01Å; S123-T126 PolarHBondContact OG-OG1 2.99Å; S123-T126 VanDerWaalsContact OG-OG1 3.06Å; T126-K129 PolarHBondContact O-N 3.31Å; T126-R130 HydrophobicContact CG2-CG 4.37Å; T126-R130 VanDerWaalsContact CG2-NE 3.32Å; T126-R130 WeakPolarHBondContact O-CB 3.29Å; T126-R130 VanDerWaalsContact O-CG 3.26Å; T126-R130 WeakPolarHBondContact O-CG 3.47Å; T126-R130 PolarHBondContact O-N 3.44Å; T126-E178 WeakPolarHBondContact CB-OE2 3.45Å; T126-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T126-E178 PolarHBondContact OG1-OE1 2.94Å; T126-E178 PolarHBondContact OG1-OE2 3.4Å
127M98.2Very high96.6Very high6 Ų648.5 Ų48.53%0.0328%0.28CS..Hα-helixtrans-57.5-50.1174.3-75.9-169-71.700111.6G17 P18 V122 S123 E124 K129 R130 L131 L152 F155G17-M127 VanDerWaalsContact CA-SD 3.52Å; P18-M127 VanDerWaalsContact O-CB 3.27Å; P18-M127 WeakPolarHBondContact O-CB 3.43Å; P18-M127 VanDerWaalsContact O-CG 3.25Å; P18-M127 WeakPolarHBondContact O-CG 3.43Å; V122-M127 HydrophobicContact CB-CG 4.43Å; V122-M127 HydrophobicContact CG1-CE 4.42Å; V122-M127 HydrophobicContact CG1-CG 3.39Å; V122-M127 HydrophobicContact CG1-SD 3.71Å; V122-M127 HydrophobicContact CG2-CG 4.23Å; S123-M127 WeakPolarHBondContact O-CG 3.46Å; S123-M127 PolarHBondContact O-N 3.3Å; E124-M127 HydrophobicContact CB-CE 4.37Å; E124-M127 PolarHBondContact O-N 3.19Å; M127-K129 PolarHBondContact O-N 3.37Å; M127-R130 PolarHBondContact O-N 3.39Å; M127-L131 WeakPolarHBondContact O-CB 3.11Å; M127-L131 WeakPolarHBondContact O-CD1 3.15Å; M127-L131 WeakPolarHBondContact O-CG 3.41Å; M127-L131 PolarHBondContact O-N 2.97Å; M127-L152 HydrophobicContact CB-CD2 4.16Å; M127-L152 HydrophobicContact CE-CD2 3.74Å; M127-L152 HydrophobicContact SD-CD2 4.12Å; M127-F155 HydrophobicContact CE-CE1 4.45Å
128T97.4Very high96.1Very high31 Ų3151.2 Ų51.219%0.1930%0.299CS..Hα-helixtrans-59.9-48.5-179.3-60.40000111.5E124 D125 R130 L131 I132 I148 L152E124-T128 WeakPolarHBondContact O-CB 3.4Å; E124-T128 PolarHBondContact O-N 3.05Å; E124-T128 PolarHBondContact O-OG1 2.81Å; D125-T128 PolarHBondContact O-N 2.99Å; T128-R130 PolarHBondContact O-N 3.27Å; T128-L131 PolarHBondContact O-N 3.5Å; T128-I132 HydrophobicContact CG2-CD1 3.88Å; T128-I132 WeakPolarHBondContact O-CG1 3.49Å; T128-I132 PolarHBondContact O-N 3.42Å; T128-I148 HydrophobicContact CG2-CG2 4.41Å; T128-L152 WeakPolarHBondContact OG1-CD1 3.47Å
129K96.8Very high95.4Very high152 Ų15254.2 Ų54.266%0.66133%0.331SS*.Hα-helixtrans-58.2-46.7176.9-72.4170.8-175.9171.90111.9D125 T126 M127 L131 I132 G133D125-K129 WeakPolarHBondContact O-CB 3.43Å; D125-K129 VanDerWaalsContact O-CG 3.3Å; D125-K129 WeakPolarHBondContact O-CG 3.14Å; D125-K129 PolarHBondContact O-N 3.37Å; T126-K129 PolarHBondContact O-N 3.31Å; M127-K129 PolarHBondContact O-N 3.37Å; K129-L131 PolarHBondContact O-N 2.83Å; K129-I132 PolarHBondContact O-N 2.77Å; K129-G133 PolarHBondContact O-N 2.76Å; K129-G133 VanDerWaalsContact O-N 3.07Å
130R97.2Very high94.9Very high72 Ų7257.1 Ų57.127%0.27234%0.341SS..Hα-helixtrans-64.1-38.7178.2-72173179.3166.92.1112.2G19 T126 M127 T128 R134 A177 G179G19-R130 WeakPolarHBondContact O-CD 3.34Å; T126-R130 HydrophobicContact CG2-CG 4.37Å; T126-R130 VanDerWaalsContact CG2-NE 3.32Å; T126-R130 WeakPolarHBondContact O-CB 3.29Å; T126-R130 VanDerWaalsContact O-CG 3.26Å; T126-R130 WeakPolarHBondContact O-CG 3.47Å; T126-R130 PolarHBondContact O-N 3.44Å; M127-R130 PolarHBondContact O-N 3.39Å; T128-R130 PolarHBondContact O-N 3.27Å; R130-R134 WeakPolarHBondContact O-CB 3.48Å; R130-R134 PolarHBondContact O-N 3.49Å; R130-A177 PolarHBondContact NH1-O 3.4Å; R130-A177 PolarHBondContact NH2-O 2.97Å; R130-G179 PolarHBondContact NH2-O 3.36Å
131L96.6Very high94.3Very high0 Ų061.4 Ų61.40%037%0.367CS..Hα-helixtrans-67.1-45.3178.5-71.6165.8000112.1P18 M127 T128 K129 G133 R134 G135 D143 I148P18-L131 HydrophobicContact CB-CD1 3.81Å; P18-L131 HydrophobicContact CB-CD2 4.04Å; P18-L131 HydrophobicContact CG-CD1 3.99Å; M127-L131 WeakPolarHBondContact O-CB 3.11Å; M127-L131 WeakPolarHBondContact O-CD1 3.15Å; M127-L131 WeakPolarHBondContact O-CG 3.41Å; M127-L131 PolarHBondContact O-N 2.97Å; T128-L131 PolarHBondContact O-N 3.5Å; K129-L131 PolarHBondContact O-N 2.83Å; L131-G133 PolarHBondContact O-N 2.98Å; L131-R134 PolarHBondContact O-N 2.84Å; L131-G135 PolarHBondContact O-N 2.65Å; L131-D143 WeakPolarHBondContact CD2-OD1 3.44Å; L131-I148 HydrophobicContact CB-CD1 3.58Å; L131-I148 HydrophobicContact CB-CG1 3.89Å; L131-I148 HydrophobicContact CD1-CB 4.44Å; L131-I148 HydrophobicContact CD1-CG1 4.05Å; L131-I148 HydrophobicContact CD1-CG2 3.78Å; L131-I148 HydrophobicContact CG-CG1 4.49Å
132I95Very high93.9Very high77 Ų7758.8 Ų58.840%0.39535%0.353SS..Hα-helixtrans-60-47.8176-66.2164.7000110.2T128 K129 R134 G135 A136 M145 I148T128-I132 HydrophobicContact CG2-CD1 3.88Å; T128-I132 WeakPolarHBondContact O-CG1 3.49Å; T128-I132 PolarHBondContact O-N 3.42Å; K129-I132 PolarHBondContact O-N 2.77Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.37Å; I132-G135 PolarHBondContact O-N 3.48Å; I132-A136 PolarHBondContact O-N 3.39Å; I132-A136 VanDerWaalsContact O-N 3.12Å; I132-M145 HydrophobicContact CD1-CE 3.54Å; I132-M145 HydrophobicContact CG1-CE 4.16Å; I132-I148 HydrophobicContact CG1-CD1 4.02Å
133G94.7Very high93.7Very high43 Ų4358.5 Ų58.544%0.44335%0.351SS..Hα-helixtrans-58.8-42.2177.400000112.6K129 L131 A136 S137K129-G133 PolarHBondContact O-N 2.76Å; K129-G133 VanDerWaalsContact O-N 3.07Å; L131-G133 PolarHBondContact O-N 2.98Å; G133-A136 PolarHBondContact O-N 2.71Å; G133-S137 PolarHBondContact O-N 2.77Å; G133-S137 PolarHBondContact O-OG 3.05Å
134R94.3Very high93.4Very high68 Ų6859.6 Ų59.626%0.25735%0.353SS..Hα-helixtrans-68.6-41.6176.7-171.9176.769.8-158.6-1.6112.6R130 L131 I132 A136 S137 S138 R140 D143R130-R134 WeakPolarHBondContact O-CB 3.48Å; R130-R134 PolarHBondContact O-N 3.49Å; L131-R134 PolarHBondContact O-N 2.84Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 3.37Å; R134-A136 PolarHBondContact O-N 3.39Å; R134-S137 PolarHBondContact O-N 3.22Å; R134-S137 PolarHBondContact O-OG 3.07Å; R134-S138 WeakPolarHBondContact O-CB 3.27Å; R134-S138 PolarHBondContact O-N 3.1Å; R134-S138 PolarHBondContact O-OG 3.38Å; R134-S138 VanDerWaalsContact O-OG 3.1Å; R134-R140 VanDerWaalsContact CZ-NH1 3.27Å; R134-D143 IonicContact CZ-OD1 3.34Å; R134-D143 IonicContact CZ-OD2 2.65Å; R134-D143 VanDerWaalsContact CZ-OD2 3.27Å; R134-D143 IonicContact NE-OD1 3.16Å; R134-D143 IonicContact NE-OD2 3.8Å; R134-D143 PolarHBondContact NE-OD2 3.44Å; R134-D143 VanDerWaalsContact NH2-CG 3.32Å; R134-D143 IonicContact NH2-OD1 2.68Å; R134-D143 PolarHBondContact NH2-OD1 3.18Å; R134-D143 IonicContact NH2-OD2 3.39Å; R134-D143 PolarHBondContact NH2-OD2 2.91Å
135G92.5Very high93.2Very high21 Ų2159.9 Ų59.922%0.21636%0.356CS..Hα-helixtrans-57.7-39177.400000112.1L131 I132 S137L131-G135 PolarHBondContact O-N 2.65Å; I132-G135 PolarHBondContact O-N 3.48Å; G135-S137 VanDerWaalsContact C-N 3.34Å; G135-S137 PolarHBondContact O-N 3.47Å
136A91Very high93Very high95 Ų9560.3 Ų60.379%0.78535%0.354SS*.Hα-helixtrans-66.8-30.6175.900000113.7I132 G133 R134I132-A136 PolarHBondContact O-N 3.39Å; I132-A136 VanDerWaalsContact O-N 3.12Å; G133-A136 PolarHBondContact O-N 2.71Å; R134-A136 PolarHBondContact O-N 3.39Å
137S91.9Very high92.9Very high101 Ų10159.3 Ų59.371%0.70635%0.348SS*.Hα-helixtrans-101.1-26-17569.10000114.8G133 R134 G135G133-S137 PolarHBondContact O-N 2.77Å; G133-S137 PolarHBondContact O-OG 3.05Å; R134-S137 PolarHBondContact O-N 3.22Å; R134-S137 PolarHBondContact O-OG 3.07Å; G135-S137 VanDerWaalsContact C-N 3.34Å; G135-S137 PolarHBondContact O-N 3.47Å
138S87.8Confident92.9Very high56 Ų5659 Ų5939%0.39235%0.347SS..Hα-helixtrans-108.9-9.7-167.884.90000114.9R134 R140R134-S138 WeakPolarHBondContact O-CB 3.27Å; R134-S138 PolarHBondContact O-N 3.1Å; R134-S138 PolarHBondContact O-OG 3.38Å; R134-S138 VanDerWaalsContact O-OG 3.1Å; S138-R140 PolarHBondContact O-N 3.33Å; S138-R140 WeakPolarHBondContact OG-CB 3.28Å; S138-R140 VanDerWaalsContact OG-CG 3.29Å; S138-R140 WeakPolarHBondContact OG-CG 3.14Å; S138-R140 PolarHBondContact OG-N 2.81Å
139G85Confident92.8Very high64 Ų6464.1 Ų64.166%0.6637%0.366SS*.  trans66.218.3-175.800000114.9V141G139-V141 PolarHBondContact O-N 3.29Å
140R88.3Confident92.9Very high64 Ų6459.8 Ų59.824%0.24235%0.347CS..  trans-70.1114.4178-84.6177.5-177.3-164.10.1110.1D42 R45 R134 S138 D142 D143D42-R140 IonicContact OD1-NH2 2.9Å; D42-R140 PolarHBondContact OD1-NH2 3.32Å; R45-R140 VanDerWaalsContact CZ-CZ 3.45Å; R134-R140 VanDerWaalsContact CZ-NH1 3.27Å; S138-R140 PolarHBondContact O-N 3.33Å; S138-R140 WeakPolarHBondContact OG-CB 3.28Å; S138-R140 VanDerWaalsContact OG-CG 3.29Å; S138-R140 WeakPolarHBondContact OG-CG 3.14Å; S138-R140 PolarHBondContact OG-N 2.81Å; R140-D142 PolarHBondContact O-N 3.02Å; R140-D143 HydrophobicContact CB-CB 4.12Å; R140-D143 WeakPolarHBondContact CB-OD2 3.34Å; R140-D143 WeakPolarHBondContact CD-OD2 3.4Å; R140-D143 PolarHBondContact O-N 2.98Å; R140-D143 VanDerWaalsContact O-N 3.12Å
141V86.1Confident92.9Very high90 Ų9057.4 Ų57.455%0.54534%0.338SS..G310 helixtrans-62.4-25.7-178.9-60.90000113.1G139 D143 N144G139-V141 PolarHBondContact O-N 3.29Å; V141-D143 VanDerWaalsContact C-N 3.33Å; V141-N144 PolarHBondContact O-ND2 3.23Å
142D89.6Confident92.9Very high8 Ų857.6 Ų57.64%0.04334%0.34CS..G310 helixtrans-86.54.8179.267.3-47.8000114.3R140 T147 R151R140-D142 PolarHBondContact O-N 3.02Å; D142-T147 HydrophobicContact CB-CG2 4.01Å; D142-T147 WeakPolarHBondContact O-CG2 2.92Å; D142-R151 WeakPolarHBondContact O-CD 3.37Å; D142-R151 PolarHBondContact O-NH1 3Å; D142-R151 IonicContact OD2-CZ 2.77Å; D142-R151 VanDerWaalsContact OD2-CZ 3.29Å; D142-R151 IonicContact OD2-NE 3.54Å; D142-R151 IonicContact OD2-NH1 3.42Å; D142-R151 PolarHBondContact OD2-NH1 2.96Å; D142-R151 IonicContact OD2-NH2 2.65Å; D142-R151 PolarHBondContact OD2-NH2 3.39Å
143D92.6Very high93.1Very high9 Ų958.5 Ų58.55%0.04834%0.342CS..G310 helixtrans-104.523.9176.7-73.9-24.8000112.8L131 R134 R140 V141 I148 R151L131-D143 WeakPolarHBondContact CD2-OD1 3.44Å; R134-D143 IonicContact CZ-OD1 3.34Å; R134-D143 IonicContact CZ-OD2 2.65Å; R134-D143 VanDerWaalsContact CZ-OD2 3.27Å; R134-D143 IonicContact NE-OD1 3.16Å; R134-D143 IonicContact NE-OD2 3.8Å; R134-D143 PolarHBondContact NE-OD2 3.44Å; R134-D143 VanDerWaalsContact NH2-CG 3.32Å; R134-D143 IonicContact NH2-OD1 2.68Å; R134-D143 PolarHBondContact NH2-OD1 3.18Å; R134-D143 IonicContact NH2-OD2 3.39Å; R134-D143 PolarHBondContact NH2-OD2 2.91Å; R140-D143 HydrophobicContact CB-CB 4.12Å; R140-D143 WeakPolarHBondContact CB-OD2 3.34Å; R140-D143 WeakPolarHBondContact CD-OD2 3.4Å; R140-D143 PolarHBondContact O-N 2.98Å; R140-D143 VanDerWaalsContact O-N 3.12Å; V141-D143 VanDerWaalsContact C-N 3.33Å; D143-I148 WeakPolarHBondContact O-CD1 3.39Å; D143-R151 IonicContact OD1-CZ 3.75Å; D143-R151 IonicContact OD1-NH1 3.59Å; D143-R151 PolarHBondContact OD1-NH1 3.38Å; D143-R151 IonicContact OD1-NH2 3.9Å
144N92.3Very high93.2Very high70 Ų7057.2 Ų57.237%0.37433%0.325SS..SBendtrans-83.7157.4168.573.874.9000111.5V141 E146 T147 I148V141-N144 PolarHBondContact O-ND2 3.23Å; N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 3.16Å; N144-E146 WeakPolarHBondContact OD1-CB 3.32Å; N144-E146 PolarHBondContact OD1-N 3.09Å; N144-E146 VanDerWaalsContact OD1-N 3.12Å; N144-T147 PolarHBondContact ND2-OG1 2.72Å; N144-T147 PolarHBondContact O-N 3.37Å; N144-T147 PolarHBondContact OD1-N 3.33Å; N144-T147 PolarHBondContact OD1-OG1 2.72Å; N144-I148 WeakPolarHBondContact O-CB 3.34Å; N144-I148 VanDerWaalsContact O-CG1 3.23Å; N144-I148 WeakPolarHBondContact O-CG1 3.35Å; N144-I148 PolarHBondContact O-N 2.97Å
145M93.6Very high93.3Very high93 Ų9354.8 Ų54.846%0.45832%0.317SS..Hα-helixtrans-55.9-39.7-173-177.461.368.400114I132 K149I132-M145 HydrophobicContact CD1-CE 3.54Å; I132-M145 HydrophobicContact CG1-CE 4.16Å; M145-K149 WeakPolarHBondContact O-CG 3.48Å; M145-K149 PolarHBondContact O-N 3.26Å
146E95Very high93.5Very high121 Ų12161.6 Ų61.657%0.56534%0.336SS*.Hα-helixtrans-66.5-48.6179.6-169.8-168.6151.900110.7N144 I148 K149 K150N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 3.16Å; N144-E146 WeakPolarHBondContact OD1-CB 3.32Å; N144-E146 PolarHBondContact OD1-N 3.09Å; N144-E146 VanDerWaalsContact OD1-N 3.12Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.18Å; E146-K149 PolarHBondContact O-N 3.17Å; E146-K150 PolarHBondContact O-N 2.96Å; E146-K150 WeakPolarHBondContact OE1-CE 3.31Å; E146-K150 IonicContact OE1-NZ 3.37Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å
147T95.7Very high93.8Very high4 Ų463.7 Ų63.73%0.02533%0.327CS..Hα-helixtrans-67.6-34.3178.6-53.10000112A63 D142 N144 K149 K150 R151A63-T147 VanDerWaalsContact O-CG2 3.27Å; A63-T147 WeakPolarHBondContact O-CG2 3.49Å; A63-T147 PolarHBondContact O-OG1 3.37Å; D142-T147 HydrophobicContact CB-CG2 4.01Å; D142-T147 WeakPolarHBondContact O-CG2 2.92Å; N144-T147 PolarHBondContact ND2-OG1 2.72Å; N144-T147 PolarHBondContact O-N 3.37Å; N144-T147 PolarHBondContact OD1-N 3.33Å; N144-T147 PolarHBondContact OD1-OG1 2.72Å; T147-K149 PolarHBondContact O-N 3.32Å; T147-K150 PolarHBondContact O-N 3.27Å; T147-R151 HydrophobicContact CG2-CG 4.17Å; T147-R151 WeakPolarHBondContact O-CB 3.34Å; T147-R151 VanDerWaalsContact O-CG 3.23Å; T147-R151 WeakPolarHBondContact O-CG 3.29Å; T147-R151 PolarHBondContact O-N 2.83Å
148I96.8Very high94.1Very high1 Ų162.9 Ų62.91%0.00531%0.312CS..Hα-helixtrans-57.3-49.3174.6-74167.5000110.5T128 L131 I132 D143 N144 E146 K150 R151 L152T128-I148 HydrophobicContact CG2-CG2 4.41Å; L131-I148 HydrophobicContact CB-CD1 3.58Å; L131-I148 HydrophobicContact CB-CG1 3.89Å; L131-I148 HydrophobicContact CD1-CB 4.44Å; L131-I148 HydrophobicContact CD1-CG1 4.05Å; L131-I148 HydrophobicContact CD1-CG2 3.78Å; L131-I148 HydrophobicContact CG-CG1 4.49Å; I132-I148 HydrophobicContact CG1-CD1 4.02Å; D143-I148 WeakPolarHBondContact O-CD1 3.39Å; N144-I148 WeakPolarHBondContact O-CB 3.34Å; N144-I148 VanDerWaalsContact O-CG1 3.23Å; N144-I148 WeakPolarHBondContact O-CG1 3.35Å; N144-I148 PolarHBondContact O-N 2.97Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.18Å; I148-K150 PolarHBondContact O-N 3.17Å; I148-R151 PolarHBondContact O-N 2.6Å; I148-R151 VanDerWaalsContact O-N 3.16Å; I148-L152 HydrophobicContact CG2-CD1 3.83Å; I148-L152 HydrophobicContact CG2-CG 4.42Å; I148-L152 WeakPolarHBondContact O-CG 3.4Å; I148-L152 PolarHBondContact O-N 2.95Å
149K97.1Very high94.4Very high138 Ų13860.3 Ų60.360%0.630%0.295SS*.Hα-helixtrans-57.8-47.4177.9-70.3177.3-178.5-177.70111.6M145 E146 T147 R151 L152 E153M145-K149 WeakPolarHBondContact O-CG 3.48Å; M145-K149 PolarHBondContact O-N 3.26Å; E146-K149 PolarHBondContact O-N 3.17Å; T147-K149 PolarHBondContact O-N 3.32Å; K149-R151 VanDerWaalsContact C-N 3.32Å; K149-R151 PolarHBondContact O-N 3.33Å; K149-L152 PolarHBondContact O-N 3.25Å; K149-E153 PolarHBondContact O-N 3.35Å
150K97.6Very high94.9Very high60 Ų6060.3 Ų60.326%0.26128%0.277SS..Hα-helixtrans-60.8-40177.1-64.6177.9-171.1169.30111.9N64 E146 T147 I148 E153 T154N64-K150 WeakPolarHBondContact O-CD 3.45Å; E146-K150 PolarHBondContact O-N 2.96Å; E146-K150 WeakPolarHBondContact OE1-CE 3.31Å; E146-K150 IonicContact OE1-NZ 3.37Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å; T147-K150 PolarHBondContact O-N 3.27Å; I148-K150 PolarHBondContact O-N 3.17Å; K150-E153 PolarHBondContact O-N 2.81Å; K150-T154 WeakPolarHBondContact O-CB 3.21Å; K150-T154 PolarHBondContact O-N 2.99Å; K150-T154 PolarHBondContact O-OG1 3.06Å; K150-T154 VanDerWaalsContact O-OG1 3.08Å
151R97.4Very high95.4Very high22 Ų2260 Ų608%0.08328%0.283CS..Hα-helixtrans-69.2-36.3178.8-71.8170.469-165.310.9112.9P18 D142 D143 T147 I148 K149 F155P18-R151 HydrophobicContact CB-CB 4.28Å; P18-R151 HydrophobicContact CG-CB 3.96Å; D142-R151 WeakPolarHBondContact O-CD 3.37Å; D142-R151 PolarHBondContact O-NH1 3Å; D142-R151 IonicContact OD2-CZ 2.77Å; D142-R151 VanDerWaalsContact OD2-CZ 3.29Å; D142-R151 IonicContact OD2-NE 3.54Å; D142-R151 IonicContact OD2-NH1 3.42Å; D142-R151 PolarHBondContact OD2-NH1 2.96Å; D142-R151 IonicContact OD2-NH2 2.65Å; D142-R151 PolarHBondContact OD2-NH2 3.39Å; D143-R151 IonicContact OD1-CZ 3.75Å; D143-R151 IonicContact OD1-NH1 3.59Å; D143-R151 PolarHBondContact OD1-NH1 3.38Å; D143-R151 IonicContact OD1-NH2 3.9Å; T147-R151 HydrophobicContact CG2-CG 4.17Å; T147-R151 WeakPolarHBondContact O-CB 3.34Å; T147-R151 VanDerWaalsContact O-CG 3.23Å; T147-R151 WeakPolarHBondContact O-CG 3.29Å; T147-R151 PolarHBondContact O-N 2.83Å; I148-R151 PolarHBondContact O-N 2.6Å; I148-R151 VanDerWaalsContact O-N 3.16Å; K149-R151 VanDerWaalsContact C-N 3.32Å; K149-R151 PolarHBondContact O-N 3.33Å; R151-F155 WeakPolarHBondContact O-CB 3.38Å; R151-F155 PolarHBondContact O-N 3.42Å
152L97.7Very high96Very high5 Ų555.7 Ų55.73%0.02626%0.258CS..Hα-helixtrans-67-42.1173.8-70.6167.5000110.9P18 E124 M127 T128 I148 K149 F155 R156P18-L152 HydrophobicContact CG-CD2 3.78Å; P18-L152 HydrophobicContact CG-CG 4.2Å; E124-L152 HydrophobicContact CG-CD1 3.73Å; E124-L152 HydrophobicContact CG-CD2 4.05Å; E124-L152 HydrophobicContact CG-CG 4.36Å; M127-L152 HydrophobicContact CB-CD2 4.16Å; M127-L152 HydrophobicContact CE-CD2 3.74Å; M127-L152 HydrophobicContact SD-CD2 4.12Å; T128-L152 WeakPolarHBondContact OG1-CD1 3.47Å; I148-L152 HydrophobicContact CG2-CD1 3.83Å; I148-L152 HydrophobicContact CG2-CG 4.42Å; I148-L152 WeakPolarHBondContact O-CG 3.4Å; I148-L152 PolarHBondContact O-N 2.95Å; K149-L152 PolarHBondContact O-N 3.25Å; L152-F155 WeakPolarHBondContact O-CB 3.39Å; L152-F155 PolarHBondContact O-N 3.07Å; L152-R156 WeakPolarHBondContact O-CG 3.27Å; L152-R156 PolarHBondContact O-N 3.49Å
153E97.7Very high96.4Very high95 Ų9555.3 Ų55.344%0.44426%0.255SS..Hα-helixtrans-61.6-48.1173.5-174.3-179-175.900112K149 K150 F155 R156 K157K149-E153 PolarHBondContact O-N 3.35Å; K150-E153 PolarHBondContact O-N 2.81Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 3.07Å; E153-R156 PolarHBondContact O-N 3.49Å; E153-K157 HydrophobicContact CG-CD 3.98Å; E153-K157 HydrophobicContact CG-CG 4.48Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 WeakPolarHBondContact O-CG 3.38Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 VanDerWaalsContact OE1-CE 3.27Å; E153-K157 WeakPolarHBondContact OE1-CE 3.17Å; E153-K157 IonicContact OE1-NZ 2.68Å; E153-K157 PolarHBondContact OE1-NZ 2.75Å
154T97.1Very high96.6Very high16 Ų1659.6 Ų59.610%0.09828%0.275CS..Hα-helixtrans-57.4-44174.3-66.70000111.3G65 L67 K150 K157 Q158G65-T154 PolarHBondContact O-OG1 3.15Å; G65-T154 VanDerWaalsContact O-OG1 3.09Å; L67-T154 HydrophobicContact CD1-CG2 4.42Å; L67-T154 HydrophobicContact CD2-CG2 3.69Å; L67-T154 HydrophobicContact CG-CG2 3.77Å; K150-T154 WeakPolarHBondContact O-CB 3.21Å; K150-T154 PolarHBondContact O-N 2.99Å; K150-T154 PolarHBondContact O-OG1 3.06Å; K150-T154 VanDerWaalsContact O-OG1 3.08Å; T154-K157 PolarHBondContact O-N 3.24Å; T154-Q158 WeakPolarHBondContact O-CB 3.43Å; T154-Q158 PolarHBondContact O-N 2.88Å
155F97.1Very high96.9Very high17 Ų1759 Ų598%0.07527%0.268CS..Iπ-helixtrans-58.6-51176167.8-105.5000111.3F119 M127 R151 L152 E153 K157 T159 Q160F119-F155 HydrophobicContact CE2-CE2 4.45Å; F119-F155 HydrophobicContact CE2-CZ 4.14Å; M127-F155 HydrophobicContact CE-CE1 4.45Å; R151-F155 WeakPolarHBondContact O-CB 3.38Å; R151-F155 PolarHBondContact O-N 3.42Å; L152-F155 WeakPolarHBondContact O-CB 3.39Å; L152-F155 PolarHBondContact O-N 3.07Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 3.07Å; F155-K157 PolarHBondContact O-N 3.5Å; F155-T159 HydrophobicContact CD2-CG2 3.66Å; F155-T159 HydrophobicContact CE2-CG2 3.85Å; F155-T159 CarbonylContact O-C 3.52Å; F155-T159 WeakPolarHBondContact O-CA 3.48Å; F155-T159 WeakPolarHBondContact O-CB 3.33Å; F155-T159 PolarHBondContact O-N 3.02Å; F155-Q160 PolarHBondContact O-N 3.12Å
156R96.9Very high97.1Very high165 Ų16554.6 Ų54.662%0.62325%0.246SC*.Iπ-helixtrans-59.6-43.5179-75.4174.449.7167.9-4.4112.9L152 E153 Q160L152-R156 WeakPolarHBondContact O-CG 3.27Å; L152-R156 PolarHBondContact O-N 3.49Å; E153-R156 PolarHBondContact O-N 3.49Å; R156-Q160 WeakPolarHBondContact O-CB 3.45Å
157K97.4Very high97.3Very high139 Ų13953.4 Ų53.460%0.60424%0.236SC*.Iπ-helixtrans-78.6-39.2-174.3-72.5-178.3173.6177.20113.4E153 T154 F155E153-K157 HydrophobicContact CG-CD 3.98Å; E153-K157 HydrophobicContact CG-CG 4.48Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 WeakPolarHBondContact O-CG 3.38Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 VanDerWaalsContact OE1-CE 3.27Å; E153-K157 WeakPolarHBondContact OE1-CE 3.17Å; E153-K157 IonicContact OE1-NZ 2.68Å; E153-K157 PolarHBondContact OE1-NZ 2.75Å; T154-K157 PolarHBondContact O-N 3.24Å; F155-K157 PolarHBondContact O-N 3.5Å
158Q96.9Very high97.4Very high83 Ų8357.3 Ų57.339%0.38827%0.27SS..Iπ-helixtrans-116-40-167.2-58.5-175.444.200112.9L67 R99 D100 T154 P161L67-Q158 HydrophobicContact CD1-CB 4.4Å; L67-Q158 VanDerWaalsContact CD1-OE1 3.25Å; R99-Q158 CarbonylContact O-C 3.21Å; D100-Q158 WeakPolarHBondContact CA-O 3.4Å; D100-Q158 HydrophobicContact CB-CB 4.44Å; T154-Q158 WeakPolarHBondContact O-CB 3.43Å; T154-Q158 PolarHBondContact O-N 2.88Å; Q158-P161 WeakPolarHBondContact O-CD 3.25Å
159T94.8Very high97.4Very high3 Ų361 Ų612%0.01829%0.286CS..Iπ-helixtrans-85.8-35-176.8-50.70000112.7V15 R99 F155 P161 V162V15-T159 HydrophobicContact CG1-CG2 3.89Å; R99-T159 WeakPolarHBondContact O-CA 3.3Å; R99-T159 WeakPolarHBondContact O-CB 3.27Å; R99-T159 PolarHBondContact O-N 2.99Å; R99-T159 VanDerWaalsContact O-N 3.15Å; R99-T159 PolarHBondContact O-OG1 3.5Å; F155-T159 HydrophobicContact CD2-CG2 3.66Å; F155-T159 HydrophobicContact CE2-CG2 3.85Å; F155-T159 CarbonylContact O-C 3.52Å; F155-T159 WeakPolarHBondContact O-CA 3.48Å; F155-T159 WeakPolarHBondContact O-CB 3.33Å; F155-T159 PolarHBondContact O-N 3.02Å; T159-P161 VanDerWaalsContact C-N 3.34Å; T159-V162 WeakPolarHBondContact O-CB 3.48Å; T159-V162 WeakPolarHBondContact O-CG2 3.42Å; T159-V162 PolarHBondContact O-N 2.84Å
160Q95.3Very high97.5Very high64 Ų6463.8 Ų63.830%0.29930%0.298SS..Hα-helixtrans-56.8-40.1178.2-166.467.328.700113F155 R156 V162 V163F155-Q160 PolarHBondContact O-N 3.12Å; R156-Q160 WeakPolarHBondContact O-CB 3.45Å; Q160-V162 PolarHBondContact O-N 3.27Å; Q160-V162 VanDerWaalsContact O-N 3.17Å; Q160-V163 VanDerWaalsContact O-CB 3.26Å; Q160-V163 WeakPolarHBondContact O-CB 3.37Å; Q160-V163 WeakPolarHBondContact O-CG2 3.42Å; Q160-V163 PolarHBondContact O-N 3.36Å
161P98.3Very high97.4Very high57 Ų5763.1 Ų63.137%0.3730%0.295SS..Hα-helixtrans-55.4-28.4172.4-29.536.2000115.6V101 Q158 T159 V163 E164 Y165V101-P161 HydrophobicContact CG2-CB 4.16Å; Q158-P161 WeakPolarHBondContact O-CD 3.25Å; T159-P161 VanDerWaalsContact C-N 3.34Å; P161-V163 PolarHBondContact O-N 2.65Å; P161-E164 PolarHBondContact O-N 2.83Å; P161-Y165 WeakPolarHBondContact O-CB 3.08Å; P161-Y165 PolarHBondContact O-N 3.14Å
162V98.4Very high97.5Very high0 Ų063.7 Ų63.70%030%0.299CS..Hα-helixtrans-59.7-37.3175176.40000110.9V15 P98 D100 V101 T159 Q160 Y165 Y166V15-V162 HydrophobicContact CG1-CG1 4.3Å; V15-V162 HydrophobicContact CG2-CG1 4.21Å; P98-V162 HydrophobicContact CG-CG1 3.76Å; D100-V162 WeakPolarHBondContact O-CG2 3.37Å; V101-V162 HydrophobicContact CG2-CG2 4.44Å; T159-V162 WeakPolarHBondContact O-CB 3.48Å; T159-V162 WeakPolarHBondContact O-CG2 3.42Å; T159-V162 PolarHBondContact O-N 2.84Å; Q160-V162 PolarHBondContact O-N 3.27Å; Q160-V162 VanDerWaalsContact O-N 3.17Å; V162-Y165 PolarHBondContact O-N 3.15Å; V162-Y166 HydrophobicContact CG1-CD2 3.65Å; V162-Y166 HydrophobicContact CG1-CE2 3.87Å; V162-Y166 WeakPolarHBondContact O-CD2 3.17Å; V162-Y166 PolarHBondContact O-N 3.46Å
163V97.9Very high97.5Very high0 Ų064.4 Ų64.40%031%0.306CS..Hα-helixtrans-61.3-50.4-179.4-177.70000109.9F119 Q160 P161 R167 L172F119-V163 HydrophobicContact CD1-CG1 3.68Å; F119-V163 HydrophobicContact CD1-CG2 4.08Å; F119-V163 HydrophobicContact CD2-CG2 3.65Å; F119-V163 HydrophobicContact CE1-CG1 3.87Å; F119-V163 HydrophobicContact CE1-CG2 4.05Å; F119-V163 HydrophobicContact CE2-CG2 3.62Å; F119-V163 HydrophobicContact CG-CG1 4.14Å; F119-V163 HydrophobicContact CG-CG2 3.89Å; F119-V163 HydrophobicContact CZ-CG1 4.46Å; F119-V163 HydrophobicContact CZ-CG2 3.84Å; Q160-V163 VanDerWaalsContact O-CB 3.26Å; Q160-V163 WeakPolarHBondContact O-CB 3.37Å; Q160-V163 WeakPolarHBondContact O-CG2 3.42Å; Q160-V163 PolarHBondContact O-N 3.36Å; P161-V163 PolarHBondContact O-N 2.65Å; V163-R167 VanDerWaalsContact O-CB 3.23Å; V163-R167 WeakPolarHBondContact O-CB 3.49Å; V163-R167 PolarHBondContact O-N 3.25Å; V163-L172 HydrophobicContact CG1-CD1 4.17Å; V163-L172 HydrophobicContact CG1-CD2 3.61Å
164E97.7Very high97.5Very high98 Ų9864.2 Ų64.246%0.45831%0.305SS..Hα-helixtrans-66-40.2179.2-59.9-52.7154.900112.1P161 Y166 R167 A168P161-E164 PolarHBondContact O-N 2.83Å; E164-Y166 PolarHBondContact O-N 3.39Å; E164-R167 PolarHBondContact O-N 3.12Å; E164-R167 IonicContact OE1-CZ 2.61Å; E164-R167 IonicContact OE1-NH1 3.2Å; E164-R167 PolarHBondContact OE1-NH1 3.2Å; E164-R167 IonicContact OE2-CZ 3.64Å; E164-R167 IonicContact OE2-NH1 3.39Å; E164-R167 PolarHBondContact OE2-NH1 3.22Å; E164-A168 WeakPolarHBondContact O-CB 3.33Å; E164-A168 PolarHBondContact O-N 2.89Å
165Y98.7Very high97.6Very high58 Ų5863.6 Ų63.623%0.22730%0.301CS..Hα-helixtrans-57.7-48.9177.9-176.7-96.3000112.4V101 E105 P161 V162 K169V101-Y165 HydrophobicContact CG1-CD1 4.19Å; V101-Y165 HydrophobicContact CG1-CD2 3.5Å; V101-Y165 VanDerWaalsContact CG1-CD2 3.5Å; V101-Y165 HydrophobicContact CG1-CE1 4.24Å; V101-Y165 HydrophobicContact CG1-CE2 3.55Å; V101-Y165 HydrophobicContact CG1-CG 3.82Å; V101-Y165 HydrophobicContact CG2-CD2 4.37Å; V101-Y165 HydrophobicContact CG2-CG 4.2Å; E105-Y165 HydrophobicContact CG-CE1 4.4Å; E105-Y165 WeakPolarHBondContact CG-OH 3.45Å; E105-Y165 WeakPolarHBondContact OE1-CE2 3.46Å; E105-Y165 PolarHBondContact OE1-OH 3.25Å; P161-Y165 WeakPolarHBondContact O-CB 3.08Å; P161-Y165 PolarHBondContact O-N 3.14Å; V162-Y165 PolarHBondContact O-N 3.15Å; Y165-K169 HydrophobicContact CD1-CD 4.47Å; Y165-K169 HydrophobicContact CE1-CD 4.04Å; Y165-K169 VanDerWaalsContact CZ-NZ 3.26Å; Y165-K169 PolarHBondContact O-N 3.4Å; Y165-K169 WeakPolarHBondContact OH-CE 3.37Å; Y165-K169 PolarHBondContact OH-NZ 3.41Å
166Y98.5Very high97.6Very high0 Ų070.1 Ų70.10%033%0.33CS..Hα-helixtrans-81-21.6179.2-75.4-74.6000113.9F13 P98 G104 C114 V117 V162 E164 K169 K170 K171 L172F13-Y166 HydrophobicContact CD2-CE2 4.31Å; F13-Y166 HydrophobicContact CE2-CE1 4.47Å; F13-Y166 AromaticContact CE2-CZ 3.9Å; F13-Y166 WeakPolarHBondContact CE2-OH 3.24Å; P98-Y166 HydrophobicContact CG-CE2 3.93Å; G104-Y166 VanDerWaalsContact CA-OH 3.31Å; G104-Y166 WeakPolarHBondContact CA-OH 3.32Å; C114-Y166 WeakPolarHBondContact SG-CE1 3.42Å; V117-Y166 HydrophobicContact CB-CG 4.44Å; V117-Y166 HydrophobicContact CG2-CD1 3.62Å; V117-Y166 HydrophobicContact CG2-CD2 3.9Å; V117-Y166 HydrophobicContact CG2-CE1 4.21Å; V117-Y166 HydrophobicContact CG2-CE2 4.44Å; V117-Y166 HydrophobicContact CG2-CG 3.46Å; V117-Y166 VanDerWaalsContact CG2-CG 3.46Å; V162-Y166 HydrophobicContact CG1-CD2 3.65Å; V162-Y166 HydrophobicContact CG1-CE2 3.87Å; V162-Y166 WeakPolarHBondContact O-CD2 3.17Å; V162-Y166 PolarHBondContact O-N 3.46Å; E164-Y166 PolarHBondContact O-N 3.39Å; Y166-K169 HydrophobicContact CD1-CD 4.24Å; Y166-K169 HydrophobicContact CE1-CD 4.38Å; Y166-K169 PolarHBondContact O-N 2.92Å; Y166-K170 PolarHBondContact O-N 2.92Å; Y166-K171 HydrophobicContact CD1-CB 4.37Å; Y166-K171 HydrophobicContact CD1-CD 4.31Å; Y166-K171 PolarHBondContact O-N 3.33Å; Y166-L172 PolarHBondContact O-N 3.36Å
167R98Very high97.7Very high96 Ų9662.3 Ų62.336%0.36230%0.3SS..Hα-helixtrans-64.3-46.8168.8-171.9179.9-70.9144.4-4.4110.7V163 E164 K169 K170 L172V163-R167 VanDerWaalsContact O-CB 3.23Å; V163-R167 WeakPolarHBondContact O-CB 3.49Å; V163-R167 PolarHBondContact O-N 3.25Å; E164-R167 PolarHBondContact O-N 3.12Å; E164-R167 IonicContact OE1-CZ 2.61Å; E164-R167 IonicContact OE1-NH1 3.2Å; E164-R167 PolarHBondContact OE1-NH1 3.2Å; E164-R167 IonicContact OE2-CZ 3.64Å; E164-R167 IonicContact OE2-NH1 3.39Å; E164-R167 PolarHBondContact OE2-NH1 3.22Å; R167-K169 PolarHBondContact O-N 3.39Å; R167-K170 PolarHBondContact O-N 3.14Å; R167-L172 HydrophobicContact CB-CB 4.2Å; R167-L172 HydrophobicContact CB-CD2 3.93Å; R167-L172 HydrophobicContact CG-CD2 4.34Å
168A98.2Very high97.7Very high87 Ų8758.5 Ų58.572%0.71928%0.284SS*.Hα-helixtrans-59.9-33.4176.400000112.4E164 K170E164-A168 WeakPolarHBondContact O-CB 3.33Å; E164-A168 PolarHBondContact O-N 2.89Å; A168-K170 PolarHBondContact O-N 3.31Å
169K97.8Very high97.7Very high79 Ų7956.7 Ų56.734%0.34329%0.288SS..THydrogen-bonded Turntrans-77.51.3173.8-67.3-174.4178.8-173.30114.6E108 Y165 Y166 R167 K171E108-K169 IonicContact OE2-NZ 3.16Å; E108-K169 PolarHBondContact OE2-NZ 3.26Å; Y165-K169 HydrophobicContact CD1-CD 4.47Å; Y165-K169 HydrophobicContact CE1-CD 4.04Å; Y165-K169 VanDerWaalsContact CZ-NZ 3.26Å; Y165-K169 PolarHBondContact O-N 3.4Å; Y165-K169 WeakPolarHBondContact OH-CE 3.37Å; Y165-K169 PolarHBondContact OH-NZ 3.41Å; Y166-K169 HydrophobicContact CD1-CD 4.24Å; Y166-K169 HydrophobicContact CE1-CD 4.38Å; Y166-K169 PolarHBondContact O-N 2.92Å; R167-K169 PolarHBondContact O-N 3.39Å; K169-K171 HydrophobicContact CB-CG 4.31Å; K169-K171 PolarHBondContact O-N 3.42Å
170K97.5Very high97.8Very high196 Ų19660.4 Ų60.485%0.85231%0.311SS*.THydrogen-bonded Turntrans56.727.5-175.7-56.7177.7177.3177.50114.1Y166 R167 A168Y166-K170 PolarHBondContact O-N 2.92Å; R167-K170 PolarHBondContact O-N 3.14Å; A168-K170 PolarHBondContact O-N 3.31Å
171K97.4Very high97.9Very high46 Ų4660.5 Ų60.520%0.232%0.316CS..  trans-103.1-15.5178.2-67.7-171.7-178.9-175.30113.4E108 C114 H116 V117 Y166 K169E108-K171 IonicContact OE1-NZ 3.81Å; E108-K171 PolarHBondContact OE1-NZ 3.25Å; E108-K171 VanDerWaalsContact OE1-NZ 3.16Å; C114-K171 WeakPolarHBondContact O-CD 3.47Å; C114-K171 VanDerWaalsContact O-CE 3.31Å; C114-K171 WeakPolarHBondContact O-CE 3.5Å; C114-K171 PolarHBondContact O-NZ 3.1Å; H116-K171 WeakPolarHBondContact CA-O 3.34Å; V117-K171 PolarHBondContact N-O 2.95Å; Y166-K171 HydrophobicContact CD1-CB 4.37Å; Y166-K171 HydrophobicContact CD1-CD 4.31Å; Y166-K171 PolarHBondContact O-N 3.33Å; K169-K171 HydrophobicContact CB-CG 4.31Å; K169-K171 PolarHBondContact O-N 3.42Å
172L98.2Very high97.9Very high33 Ų3362.9 Ų62.917%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-78.9126.6-175.8-168.589.9000112V117 F119 V163 Y166 R167V117-L172 HydrophobicContact CB-CD1 4.1Å; V117-L172 HydrophobicContact CG1-CD1 3.89Å; V117-L172 CarbonylContact O-C 3.6Å; V117-L172 WeakPolarHBondContact O-CA 3.39Å; F119-L172 HydrophobicContact CB-CD1 3.68Å; F119-L172 HydrophobicContact CB-CG 4.26Å; V163-L172 HydrophobicContact CG1-CD1 4.17Å; V163-L172 HydrophobicContact CG1-CD2 3.61Å; Y166-L172 PolarHBondContact O-N 3.36Å; R167-L172 HydrophobicContact CB-CB 4.2Å; R167-L172 HydrophobicContact CB-CD2 3.93Å; R167-L172 HydrophobicContact CG-CD2 4.34Å
173A98Very high97.9Very high21 Ų2168.3 Ų68.317%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-111.1116.7161.300000109.1V117 L118 F119 V191V117-A173 PolarHBondContact O-N 3.23Å; L118-A173 HydrophobicContact CD2-CB 4.14Å; F119-A173 PolarHBondContact N-O 2.93Å; A173-V191 HydrophobicContact CB-CG1 3.54Å; A173-V191 HydrophobicContact CB-CG2 4.29Å
174Q98.1Very high98Very high90 Ų9068.7 Ų68.742%0.42135%0.353SS..EExtended strand (participates in β ladder)trans-87.9128.7178.6-178.3168.8-22.300110.1F119 D121F119-Q174 HydrophobicContact CD1-CB 4.36Å; F119-Q174 HydrophobicContact CD1-CG 3.87Å; F119-Q174 HydrophobicContact CE1-CG 4.34Å; D121-Q174 HydrophobicContact CB-CG 4Å; D121-Q174 PolarHBondContact OD2-NE2 3.49Å
175I98.4Very high98Very high3 Ų365 Ų652%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-113.2121.9179-54-60.1000107.6F119 F120 D121 A177 I184 E187 V188 V191F119-I175 PolarHBondContact O-N 3.4Å; F120-I175 HydrophobicContact CD1-CB 4.3Å; F120-I175 HydrophobicContact CD1-CG2 4.15Å; F120-I175 HydrophobicContact CE1-CB 4.32Å; F120-I175 HydrophobicContact CE1-CG2 3.97Å; D121-I175 PolarHBondContact N-O 3.3Å; I175-A177 PolarHBondContact O-N 2.92Å; I175-A177 VanDerWaalsContact O-N 3.12Å; I175-I184 HydrophobicContact CG2-CG2 4.04Å; I175-E187 HydrophobicContact CG2-CB 4.3Å; I175-V188 HydrophobicContact CD1-CG2 4.42Å; I175-V188 HydrophobicContact CG1-CG2 4.26Å; I175-V188 HydrophobicContact CG2-CG2 3.88Å; I175-V191 HydrophobicContact CD1-CB 4.2Å; I175-V191 HydrophobicContact CD1-CG2 3.61Å
176K98.1Very high98Very high155 Ų15564.4 Ų64.467%0.67434%0.342SS*.EExtended strand (participates in β ladder)trans-68.8107.7169.5-176.3179.5178.5-177.30108.5E178K176-E178 VanDerWaalsContact C-N 3.31Å; K176-E178 HydrophobicContact CG-CB 4.27Å; K176-E178 HydrophobicContact CG-CG 4.44Å; K176-E178 PolarHBondContact O-N 2.89Å
177A98.2Very high97.9Very high0 Ų068.4 Ų68.40%036%0.36CS..  trans-97.936.1-174.500000112.7F120 D121 V122 R130 I175 I184F120-A177 HydrophobicContact CB-CB 3.91Å; F120-A177 HydrophobicContact CD1-CB 3.84Å; F120-A177 HydrophobicContact CG-CB 4.39Å; D121-A177 WeakPolarHBondContact O-CB 3.29Å; D121-A177 PolarHBondContact O-N 2.92Å; V122-A177 HydrophobicContact CB-CB 4.12Å; R130-A177 PolarHBondContact NH1-O 3.4Å; R130-A177 PolarHBondContact NH2-O 2.97Å; I175-A177 PolarHBondContact O-N 2.92Å; I175-A177 VanDerWaalsContact O-N 3.12Å; A177-I184 HydrophobicContact CB-CD1 4.45Å; A177-I184 HydrophobicContact CB-CG2 4.45Å; A177-I184 WeakPolarHBondContact O-CD1 3.49Å
178E97.7Very high97.9Very high59 Ų5963.8 Ų63.828%0.27634%0.343SS..  trans-102.1148173.5-66.8-68.917800110S123 T126 K176S123-E178 VanDerWaalsContact CB-OE1 3.26Å; S123-E178 WeakPolarHBondContact CB-OE1 3.37Å; S123-E178 PolarHBondContact N-OE1 3.42Å; S123-E178 PolarHBondContact OG-OE1 3.29Å; T126-E178 WeakPolarHBondContact CB-OE2 3.45Å; T126-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T126-E178 PolarHBondContact OG1-OE1 2.94Å; T126-E178 PolarHBondContact OG1-OE2 3.4Å; K176-E178 VanDerWaalsContact C-N 3.31Å; K176-E178 HydrophobicContact CG-CB 4.27Å; K176-E178 HydrophobicContact CG-CG 4.44Å; K176-E178 PolarHBondContact O-N 2.89Å
179G96.3Very high97.9Very high46 Ų4661.2 Ų61.247%0.47432%0.317SS..SBendtrans93.8-156.8-177.300000114R130R130-G179 PolarHBondContact NH2-O 3.36Å
180T97.8Very high97.8Very high80 Ų8062.5 Ų62.549%0.49132%0.323SS..  trans-78.5163.2-17665.90000112.4D182 E183 I184T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 3.25Å; T180-E183 WeakPolarHBondContact CB-OE2 3.39Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.5Å; T180-E183 PolarHBondContact N-OE2 3.08Å; T180-E183 PolarHBondContact O-N 3.16Å; T180-E183 VanDerWaalsContact OG1-CD 3.24Å; T180-E183 VanDerWaalsContact OG1-CG 3.22Å; T180-E183 WeakPolarHBondContact OG1-CG 3.49Å; T180-E183 PolarHBondContact OG1-N 2.87Å; T180-E183 PolarHBondContact OG1-OE2 3.09Å; T180-I184 WeakPolarHBondContact O-CD1 3.4Å; T180-I184 VanDerWaalsContact O-CG1 3.24Å; T180-I184 WeakPolarHBondContact O-CG1 3.42Å; T180-I184 PolarHBondContact O-N 3.21Å; T180-I184 VanDerWaalsContact O-N 3.16Å
181V98Very high97.8Very high66 Ų6654.6 Ų54.640%0.429%0.291SS..Hα-helixtrans-58.3-40.7178.6173.30000111.6T24 Q25 K28 Y185T24-V181 HydrophobicContact CG2-CB 4.48Å; T24-V181 HydrophobicContact CG2-CG1 3.74Å; T24-V181 HydrophobicContact CG2-CG2 3.85Å; Q25-V181 PolarHBondContact NE2-O 3.47Å; K28-V181 HydrophobicContact CD-CG1 3.73Å; V181-Y185 VanDerWaalsContact O-CB 3.3Å; V181-Y185 WeakPolarHBondContact O-CB 3.46Å; V181-Y185 PolarHBondContact O-N 2.82Å
182D98.3Very high97.7Very high108 Ų10852.4 Ų52.458%0.57828%0.281SS*.Hα-helixtrans-76.6-36.1-175.8-66.2-34.6000112.7K28 T180 Y185 A186K28-D182 IonicContact NZ-OD1 2.72Å; T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 3.25Å; D182-Y185 PolarHBondContact O-N 3.43Å; D182-A186 PolarHBondContact O-N 3.01Å
183E98.2Very high97.5Very high114 Ų11455.3 Ų55.353%0.53329%0.294SS..Hα-helixtrans-61.8-45.8172.6-72.3165.4141.200111.3T180 Y185 A186T180-E183 WeakPolarHBondContact CB-OE2 3.39Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.5Å; T180-E183 PolarHBondContact N-OE2 3.08Å; T180-E183 PolarHBondContact O-N 3.16Å; T180-E183 VanDerWaalsContact OG1-CD 3.24Å; T180-E183 VanDerWaalsContact OG1-CG 3.22Å; T180-E183 WeakPolarHBondContact OG1-CG 3.49Å; T180-E183 PolarHBondContact OG1-N 2.87Å; T180-E183 PolarHBondContact OG1-OE2 3.09Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.87Å; E183-A186 PolarHBondContact O-N 3.47Å
184I98.5Very high97.1Very high7 Ų762 Ų624%0.03632%0.319CS..Hα-helixtrans-64.2-41.3176.6-61.8166000109.8Q25 F120 I175 A177 T180 A186 E187 V188Q25-I184 HydrophobicContact CG-CG2 3.96Å; F120-I184 HydrophobicContact CD1-CG2 4.26Å; F120-I184 HydrophobicContact CE1-CG2 3.97Å; I175-I184 HydrophobicContact CG2-CG2 4.04Å; A177-I184 HydrophobicContact CB-CD1 4.45Å; A177-I184 HydrophobicContact CB-CG2 4.45Å; A177-I184 WeakPolarHBondContact O-CD1 3.49Å; T180-I184 WeakPolarHBondContact O-CD1 3.4Å; T180-I184 VanDerWaalsContact O-CG1 3.24Å; T180-I184 WeakPolarHBondContact O-CG1 3.42Å; T180-I184 PolarHBondContact O-N 3.21Å; T180-I184 VanDerWaalsContact O-N 3.16Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 2.97Å; I184-E187 PolarHBondContact O-N 3.38Å; I184-V188 HydrophobicContact CG2-CG2 4.48Å; I184-V188 WeakPolarHBondContact O-CG2 3.49Å; I184-V188 PolarHBondContact O-N 3.29Å
185Y98.5Very high96.4Very high21 Ų2159.8 Ų59.88%0.08231%0.31CS..Hα-helixtrans-66-35.6-179.5-172.9-109.9000112.5Q25 K28 I29 N32 V181 D182 E183 E187 V188 D189Q25-Y185 VanDerWaalsContact OE1-CA 3.26Å; Q25-Y185 VanDerWaalsContact OE1-CB 3.31Å; K28-Y185 HydrophobicContact CB-CD1 4.46Å; K28-Y185 HydrophobicContact CB-CD2 3.4Å; K28-Y185 VanDerWaalsContact CB-CD2 3.4Å; K28-Y185 HydrophobicContact CB-CE1 4.32Å; K28-Y185 HydrophobicContact CB-CE2 3.24Å; K28-Y185 HydrophobicContact CB-CG 4.03Å; K28-Y185 HydrophobicContact CD-CD1 4.33Å; K28-Y185 HydrophobicContact CD-CD2 3.96Å; K28-Y185 HydrophobicContact CD-CG 3.81Å; K28-Y185 VanDerWaalsContact CE-CD1 3.46Å; K28-Y185 VanDerWaalsContact CE-CG 3.41Å; K28-Y185 HydrophobicContact CG-CD2 4.26Å; K28-Y185 HydrophobicContact CG-CE2 4.48Å; K28-Y185 PolarHBondContact O-OH 3.17Å; K28-Y185 VanDerWaalsContact O-OH 3.09Å; I29-Y185 HydrophobicContact CG1-CE2 4.2Å; N32-Y185 WeakPolarHBondContact CB-OH 3.42Å; N32-Y185 PolarHBondContact ND2-OH 3.47Å; V181-Y185 VanDerWaalsContact O-CB 3.3Å; V181-Y185 WeakPolarHBondContact O-CB 3.46Å; V181-Y185 PolarHBondContact O-N 2.82Å; D182-Y185 PolarHBondContact O-N 3.43Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.87Å; Y185-E187 PolarHBondContact O-N 3.2Å; Y185-V188 HydrophobicContact CD2-CB 4.25Å; Y185-V188 HydrophobicContact CD2-CG1 4.33Å; Y185-V188 HydrophobicContact CE2-CG1 4.33Å; Y185-V188 WeakPolarHBondContact O-CB 3.46Å; Y185-V188 PolarHBondContact O-N 2.83Å; Y185-V188 VanDerWaalsContact O-N 3.14Å; Y185-D189 HydrophobicContact CE1-CB 4.31Å; Y185-D189 WeakPolarHBondContact O-CB 3.36Å; Y185-D189 PolarHBondContact O-N 2.7Å
186A98.1Very high95.3Very high46 Ų4664.1 Ų64.138%0.3834%0.337SS..Hα-helixtrans-58.8-36.8174.700000112D182 E183 I184 K190D182-A186 PolarHBondContact O-N 3.01Å; E183-A186 PolarHBondContact O-N 3.47Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 2.97Å; A186-K190 VanDerWaalsContact O-CG 3.28Å; A186-K190 WeakPolarHBondContact O-CG 3.23Å; A186-K190 PolarHBondContact O-N 3.41Å
187E97.4Very high93.3Very high83 Ų8367.7 Ų67.739%0.38835%0.352SS..Hα-helixtrans-72.2-40.5173.8-64.2-53.6128.600112.4I175 I184 Y185 D189 K190 V191I175-E187 HydrophobicContact CG2-CB 4.3Å; I184-E187 PolarHBondContact O-N 3.38Å; Y185-E187 PolarHBondContact O-N 3.2Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 2.9Å; E187-K190 PolarHBondContact O-N 3.48Å; E187-K190 IonicContact OE1-NZ 2.69Å; E187-K190 PolarHBondContact OE1-NZ 3.48Å; E187-K190 IonicContact OE2-NZ 3.82Å; E187-V191 PolarHBondContact O-N 3.27Å
188V98.1Very high93.1Very high0 Ų071.1 Ų71.10%037%0.37CS..Hα-helixtrans-58.9-46.9173.91720000110.9I29 F120 I175 I184 Y185 V191 M192I29-V188 HydrophobicContact CD1-CG1 3.6Å; I29-V188 HydrophobicContact CG1-CG1 3.56Å; F120-V188 HydrophobicContact CE1-CG2 3.66Å; F120-V188 HydrophobicContact CZ-CG2 3.62Å; I175-V188 HydrophobicContact CD1-CG2 4.42Å; I175-V188 HydrophobicContact CG1-CG2 4.26Å; I175-V188 HydrophobicContact CG2-CG2 3.88Å; I184-V188 HydrophobicContact CG2-CG2 4.48Å; I184-V188 WeakPolarHBondContact O-CG2 3.49Å; I184-V188 PolarHBondContact O-N 3.29Å; Y185-V188 HydrophobicContact CD2-CB 4.25Å; Y185-V188 HydrophobicContact CD2-CG1 4.33Å; Y185-V188 HydrophobicContact CE2-CG1 4.33Å; Y185-V188 WeakPolarHBondContact O-CB 3.46Å; Y185-V188 PolarHBondContact O-N 2.83Å; Y185-V188 VanDerWaalsContact O-N 3.14Å; V188-V191 PolarHBondContact O-N 3.11Å; V188-V191 VanDerWaalsContact O-N 3.14Å; V188-M192 HydrophobicContact CG1-CG 4.07Å; V188-M192 WeakPolarHBondContact O-CB 3.23Å; V188-M192 WeakPolarHBondContact O-CG 3.46Å; V188-M192 PolarHBondContact O-N 2.97Å
189D97.5Very high92.9Very high33 Ų3371.7 Ų71.718%0.17638%0.375CS..Hα-helixtrans-62.7-44.2-178.4-166.570.9000110.9Y33 Y185 E187 V191 M192 Q193Y33-D189 PolarHBondContact OH-O 3.28Å; Y33-D189 PolarHBondContact OH-OD1 2.78Å; Y185-D189 HydrophobicContact CE1-CB 4.31Å; Y185-D189 WeakPolarHBondContact O-CB 3.36Å; Y185-D189 PolarHBondContact O-N 2.7Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 2.9Å; D189-V191 VanDerWaalsContact C-N 3.26Å; D189-V191 PolarHBondContact O-N 3.22Å; D189-M192 PolarHBondContact O-N 3.17Å; D189-Q193 WeakPolarHBondContact O-CB 3.44Å; D189-Q193 VanDerWaalsContact O-CG 3.24Å; D189-Q193 WeakPolarHBondContact O-CG 3.45Å; D189-Q193 PolarHBondContact O-N 2.92Å; D189-Q193 PolarHBondContact OD2-NE2 3.29Å
190K96.6Very high92.7Very high106 Ų10673.2 Ų73.246%0.46137%0.369SS..Hα-helixtrans-55.9-39.5172.9-73.7170.2-169170.30112.9A186 E187 K194A186-K190 VanDerWaalsContact O-CG 3.28Å; A186-K190 WeakPolarHBondContact O-CG 3.23Å; A186-K190 PolarHBondContact O-N 3.41Å; E187-K190 PolarHBondContact O-N 3.48Å; E187-K190 IonicContact OE1-NZ 2.69Å; E187-K190 PolarHBondContact OE1-NZ 3.48Å; E187-K190 IonicContact OE2-NZ 3.82Å; K190-K194 WeakPolarHBondContact O-CG 3.46Å
191V95.7Very high92.4Very high29 Ų2972.8 Ų72.818%0.17636%0.362CS..Hα-helixtrans-69.6-54176170.50000109.7L118 A173 I175 E187 V188 D189 Q193 K194 L195L118-V191 HydrophobicContact CD2-CG1 3.68Å; A173-V191 HydrophobicContact CB-CG1 3.54Å; A173-V191 HydrophobicContact CB-CG2 4.29Å; I175-V191 HydrophobicContact CD1-CB 4.2Å; I175-V191 HydrophobicContact CD1-CG2 3.61Å; E187-V191 PolarHBondContact O-N 3.27Å; V188-V191 PolarHBondContact O-N 3.11Å; V188-V191 VanDerWaalsContact O-N 3.14Å; D189-V191 VanDerWaalsContact C-N 3.26Å; D189-V191 PolarHBondContact O-N 3.22Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 2.61Å; V191-K194 WeakPolarHBondContact O-CA 3.34Å; V191-K194 WeakPolarHBondContact O-CB 3.27Å; V191-K194 PolarHBondContact O-N 3.3Å; V191-L195 HydrophobicContact CG1-CD1 3.99Å; V191-L195 HydrophobicContact CG1-CG 4.26Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 2.68Å
192M96Very high92Very high0 Ų073.2 Ų73.20%036%0.36CS..Hα-helixtrans-59-37.5-176.8-71.8-61-57.400113I12 I29 Y33 L35 L118 V188 D189 K194 L195 V196I12-M192 HydrophobicContact CD1-CE 3.67Å; I12-M192 HydrophobicContact CD1-SD 3.85Å; I29-M192 HydrophobicContact CG2-CE 3.95Å; I29-M192 HydrophobicContact CG2-CG 4.49Å; I29-M192 HydrophobicContact CG2-SD 4.43Å; Y33-M192 HydrophobicContact CD1-CB 4.41Å; Y33-M192 HydrophobicContact CD1-CE 4.27Å; Y33-M192 HydrophobicContact CD2-CB 4.16Å; Y33-M192 HydrophobicContact CD2-CE 4.26Å; Y33-M192 HydrophobicContact CD2-CG 4.42Å; Y33-M192 HydrophobicContact CE1-CB 3.76Å; Y33-M192 HydrophobicContact CE2-CB 3.46Å; Y33-M192 VanDerWaalsContact CE2-CB 3.46Å; Y33-M192 HydrophobicContact CE2-CG 4.03Å; Y33-M192 HydrophobicContact CG-CE 4.05Å; Y33-M192 VanDerWaalsContact OH-CB 3.24Å; Y33-M192 WeakPolarHBondContact OH-CB 3.31Å; L35-M192 HydrophobicContact CD1-CE 3.92Å; L118-M192 HydrophobicContact CD1-SD 4.01Å; V188-M192 HydrophobicContact CG1-CG 4.07Å; V188-M192 WeakPolarHBondContact O-CB 3.23Å; V188-M192 WeakPolarHBondContact O-CG 3.46Å; V188-M192 PolarHBondContact O-N 2.97Å; D189-M192 PolarHBondContact O-N 3.17Å; M192-K194 PolarHBondContact O-N 3.12Å; M192-L195 PolarHBondContact O-N 3.29Å; M192-L195 HydrophobicContact SD-CD1 4.18Å; M192-V196 HydrophobicContact CE-CG2 4.21Å; M192-V196 WeakPolarHBondContact O-CG2 3.48Å; M192-V196 PolarHBondContact O-N 3.24Å; M192-V196 VanDerWaalsContact O-N 3.07Å
193Q94.7Very high91.6Very high95 Ų9570.9 Ų70.944%0.44435%0.345SS..Hα-helixtrans-59.8-27.9173.1-73.8-179.213.900113.5Y33 D189 V191 K197Y33-Q193 WeakPolarHBondContact OH-CG 3.32Å; Y33-Q193 PolarHBondContact OH-N 3.32Å; D189-Q193 WeakPolarHBondContact O-CB 3.44Å; D189-Q193 VanDerWaalsContact O-CG 3.24Å; D189-Q193 WeakPolarHBondContact O-CG 3.45Å; D189-Q193 PolarHBondContact O-N 2.92Å; D189-Q193 PolarHBondContact OD2-NE2 3.29Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 2.61Å; Q193-K197 VanDerWaalsContact O-CG 3.3Å; Q193-K197 WeakPolarHBondContact O-CG 3.18Å
194K90.1Very high91.1Very high160 Ų16067.8 Ų67.870%0.69633%0.332SS*.Hα-helixtrans-81.8-24.3175-64.1173.8-175177.90112.3K190 V191 M192K190-K194 WeakPolarHBondContact O-CG 3.46Å; V191-K194 WeakPolarHBondContact O-CA 3.34Å; V191-K194 WeakPolarHBondContact O-CB 3.27Å; V191-K194 PolarHBondContact O-N 3.3Å; M192-K194 PolarHBondContact O-N 3.12Å
195L83.2Confident90.6Very high45 Ų4572.5 Ų72.524%0.23635%0.354CS..Hα-helixtrans-87.4-21.5-177.4-53.6-173.4000113.2I12 H116 V191 M192I12-L195 HydrophobicContact CD1-CD1 4.44Å; H116-L195 HydrophobicContact CB-CD1 3.7Å; H116-L195 VanDerWaalsContact CE1-CD2 3.45Å; H116-L195 WeakPolarHBondContact CE1-CD2 3.47Å; H116-L195 WeakPolarHBondContact NE2-CD2 3.35Å; V191-L195 HydrophobicContact CG1-CD1 3.99Å; V191-L195 HydrophobicContact CG1-CG 4.26Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 2.68Å; M192-L195 PolarHBondContact O-N 3.29Å; M192-L195 HydrophobicContact SD-CD1 4.18Å
196V74.7Confident89.9Confident94 Ų9476.8 Ų76.857%0.5738%0.377SS*.  trans-105.5-1.7-175-177.70000112.7Y33 M192Y33-V196 HydrophobicContact CD1-CB 4.33Å; Y33-V196 HydrophobicContact CD1-CG1 4.39Å; Y33-V196 HydrophobicContact CD1-CG2 3.8Å; Y33-V196 HydrophobicContact CE1-CB 4.36Å; Y33-V196 HydrophobicContact CE1-CG2 4.09Å; M192-V196 HydrophobicContact CE-CG2 4.21Å; M192-V196 WeakPolarHBondContact O-CG2 3.48Å; M192-V196 PolarHBondContact O-N 3.24Å; M192-V196 VanDerWaalsContact O-N 3.07Å
197K56.7Low89.1Confident230 Ų23079.5 Ų79.5100%138%0.377SS*.  trans-80.40169-79.1178.1-174.6-172.80110.8Q193Q193-K197 VanDerWaalsContact O-CG 3.3Å; Q193-K197 WeakPolarHBondContact O-CG 3.18Å

Retrieved 197 of 197 residues in 69.2 ms (Link to these results)

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