A0A087YAM6_POEFO Loading...

Hydroxyacyl-thioester dehydratase type 2

AlphaFold DB , UniProt , Accession A0A087YAM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L91.4Very high97.4Very high43 Ų4369.2 Ų69.223%0.22537%0.369CS..  0144.30-169.474.6000108.2M65 P66 V95 I98 A103 M125L1-M65 HydrophobicContact CD1-CG 3.58Å; L1-M65 HydrophobicContact CD1-SD 3.6Å; L1-M65 VanDerWaalsContact CD1-SD 3.6Å; L1-P66 HydrophobicContact CD1-CB 4.36Å; L1-P66 HydrophobicContact CD1-CG 4.36Å; L1-P66 HydrophobicContact CD2-CG 4.19Å; L1-V95 HydrophobicContact CD1-CG2 3.86Å; L1-V95 HydrophobicContact CD2-CG1 4.39Å; L1-V95 HydrophobicContact CD2-CG2 4.12Å; L1-V95 HydrophobicContact CG-CG2 3.98Å; L1-I98 HydrophobicContact CB-CD1 4.13Å; L1-I98 HydrophobicContact CD2-CD1 3.96Å; L1-I98 HydrophobicContact CD2-CG1 4.32Å; L1-I98 HydrophobicContact CG-CD1 4Å; L1-A103 HydrophobicContact CD2-CB 3.56Å; L1-M125 HydrophobicContact CB-SD 4.09Å; L1-M125 HydrophobicContact CD2-CG 3.96Å; L1-M125 HydrophobicContact CD2-SD 3.48Å; L1-M125 WeakPolarHBondContact CD2-SD 3.09Å; L1-M125 HydrophobicContact CG-SD 4.41Å
2H95.2Very high97.5Very high116 Ų11667.5 Ų67.554%0.53737%0.372SS..  trans-140.1156.7175.462.3-83.6000113Q5 V95H2-Q5 VanDerWaalsContact N-OE1 3.14Å; H2-Q5 PolarHBondContact ND1-OE1 3.46Å; H2-Q5 WeakPolarHBondContact O-CB 3.43Å; H2-Q5 PolarHBondContact O-N 3.34Å; H2-Q5 VanDerWaalsContact O-N 3.14Å; H2-V95 WeakPolarHBondContact O-CB 3.37Å
3V97.9Very high97.6Very high89 Ų8962.8 Ų62.854%0.53935%0.346SS..THydrogen-bonded Turntrans-62.9135.6175.7175.20000110.1Q5 I98V3-Q5 VanDerWaalsContact C-N 3.28Å; V3-I98 HydrophobicContact CG2-CG1 4.42Å
4G98.2Very high97.6Very high38 Ų3862.2 Ų62.239%0.39235%0.348SS..THydrogen-bonded Turntrans85.8-8.7-173.900000114.2R6 V95G4-R6 PolarHBondContact O-N 3.14Å; G4-V95 PolarHBondContact N-O 2.84Å
5Q98.2Very high97.7Very high58 Ų5861.7 Ų61.727%0.27136%0.355SS..  trans-62.7135.2173.9-172175.4-10.400110.3H2 V3 M65 E94 V95H2-Q5 VanDerWaalsContact N-OE1 3.14Å; H2-Q5 PolarHBondContact ND1-OE1 3.46Å; H2-Q5 WeakPolarHBondContact O-CB 3.43Å; H2-Q5 PolarHBondContact O-N 3.34Å; H2-Q5 VanDerWaalsContact O-N 3.14Å; V3-Q5 VanDerWaalsContact C-N 3.28Å; Q5-M65 HydrophobicContact CG-CG 4.31Å; Q5-E94 WeakPolarHBondContact O-CA 3.33Å; Q5-V95 HydrophobicContact CB-CG2 4.19Å; Q5-V95 PolarHBondContact O-N 3.22Å
6R98.5Very high97.7Very high165 Ų16568.8 Ų68.862%0.62337%0.374SS*.EExtended strand (participates in β ladder)trans-119.8151.8180-67.6-177.9176.41681.5112.5G4 A93 E94G4-R6 PolarHBondContact O-N 3.14Å; R6-A93 CarbonylContact C-O 3.58Å; R6-A93 WeakPolarHBondContact CA-O 3.35Å; R6-E94 HydrophobicContact CG-CB 3.92Å; R6-E94 HydrophobicContact CG-CG 3.79Å; R6-E94 IonicContact CZ-OE2 3.25Å; R6-E94 VanDerWaalsContact CZ-OE2 3.25Å; R6-E94 IonicContact NE-OE2 2.93Å; R6-E94 PolarHBondContact NE-OE2 2.93Å; R6-E94 IonicContact NH2-OE1 3.82Å; R6-E94 IonicContact NH2-OE2 2.76Å; R6-E94 PolarHBondContact NH2-OE2 3.45Å
7A98.5Very high97.8Very high17 Ų1767.5 Ų67.514%0.1437%0.367CS..EExtended strand (participates in β ladder)trans-146153.6166.100000110.1V60 R64 M65 A93A7-V60 HydrophobicContact CB-CG1 4.01Å; A7-R64 HydrophobicContact CB-CB 4.04Å; A7-M65 HydrophobicContact CB-CB 3.56Å; A7-M65 HydrophobicContact CB-CE 4.22Å; A7-M65 HydrophobicContact CB-CG 4.45Å; A7-A93 PolarHBondContact N-O 2.69Å; A7-A93 PolarHBondContact O-N 2.76Å
8S98.5Very high97.8Very high61 Ų6163.9 Ų63.943%0.42735%0.347SS..EExtended strand (participates in β ladder)trans-150159.8179.961.10000113.2A91S8-A91 CarbonylContact C-O 3.47Å; S8-A91 WeakPolarHBondContact CA-O 3.31Å; S8-A91 WeakPolarHBondContact CB-O 3.21Å
9I98.4Very high97.9Very high40 Ų4065.6 Ų65.621%0.20535%0.353CS..EExtended strand (participates in β ladder)trans-138.8142169.3-68.5176.2000107.8A59 V60 R64 A91I9-A59 HydrophobicContact CD1-CB 4.16Å; I9-V60 HydrophobicContact CB-CG2 4.01Å; I9-V60 HydrophobicContact CD1-CG2 4Å; I9-V60 HydrophobicContact CG1-CG2 3.91Å; I9-R64 HydrophobicContact CD1-CG 4.17Å; I9-R64 HydrophobicContact CG1-CG 4.34Å; I9-A91 PolarHBondContact N-O 2.78Å; I9-A91 WeakPolarHBondContact O-CB 3.41Å; I9-A91 PolarHBondContact O-N 3.34Å
10T98.4Very high97.9Very high68 Ų6866.6 Ų66.642%0.41736%0.357SS..EExtended strand (participates in β ladder)trans-107.8136.4172.3-55.90000109.9E88 V89 L90T10-E88 HydrophobicContact CG2-CG 3.2Å; T10-E88 WeakPolarHBondContact CG2-OE2 3.47Å; T10-V89 WeakPolarHBondContact CA-O 3.46Å; T10-L90 WeakPolarHBondContact OG1-CD1 3.43Å
11K98.2Very high97.9Very high66 Ų6665.1 Ų65.129%0.28735%0.348SS..EExtended strand (participates in β ladder)trans-144.9147175.2-179.7169.9166.975.30110.9F13 D17 L56 V89K11-F13 HydrophobicContact CD-CD1 4.11Å; K11-F13 HydrophobicContact CD-CE1 3.79Å; K11-F13 HydrophobicContact CD-CZ 4.05Å; K11-D17 IonicContact NZ-OD1 3.6Å; K11-D17 PolarHBondContact NZ-OD1 2.93Å; K11-D17 IonicContact NZ-OD2 3.69Å; K11-D17 PolarHBondContact NZ-OD2 3.21Å; K11-L56 HydrophobicContact CB-CD2 4.16Å; K11-L56 HydrophobicContact CD-CD2 4.01Å; K11-V89 PolarHBondContact N-O 3.5Å; K11-V89 VanDerWaalsContact O-CG1 3.31Å; K11-V89 WeakPolarHBondContact O-CG1 3.42Å; K11-V89 PolarHBondContact O-N 3.47Å
12A98.5Very high98.3Very high49 Ų4963.3 Ų63.341%0.40534%0.339SS..EExtended strand (participates in β ladder)trans-108.8125158.800000108.5E87A12-E87 WeakPolarHBondContact CA-O 3.47Å
13F98.6Very high98.4Very high7 Ų764.8 Ų64.83%0.03135%0.346CS..  trans-81.4124.7177-68.8-83.8000109.7K11 D17 V48 L52 I53 L56 L83 G86 V89K11-F13 HydrophobicContact CD-CD1 4.11Å; K11-F13 HydrophobicContact CD-CE1 3.79Å; K11-F13 HydrophobicContact CD-CZ 4.05Å; F13-D17 HydrophobicContact CB-CB 4.39Å; F13-D17 HydrophobicContact CD1-CB 3.96Å; F13-V48 HydrophobicContact CB-CG1 4.32Å; F13-V48 HydrophobicContact CB-CG2 3.99Å; F13-V48 HydrophobicContact CD2-CG1 3.93Å; F13-V48 HydrophobicContact CD2-CG2 4.37Å; F13-V48 HydrophobicContact CE2-CG1 4.36Å; F13-V48 HydrophobicContact CG-CG1 4.05Å; F13-V48 HydrophobicContact CG-CG2 4.46Å; F13-L52 HydrophobicContact CD1-CD1 4.22Å; F13-L52 HydrophobicContact CD1-CD2 3.89Å; F13-L52 HydrophobicContact CD1-CG 3.91Å; F13-L52 HydrophobicContact CE1-CD1 3.64Å; F13-L52 HydrophobicContact CE1-CD2 4.09Å; F13-L52 HydrophobicContact CE1-CG 3.58Å; F13-L52 HydrophobicContact CZ-CD1 4.38Å; F13-L52 HydrophobicContact CZ-CG 4.09Å; F13-I53 HydrophobicContact CE2-CG1 4.47Å; F13-L56 HydrophobicContact CE2-CD1 3.94Å; F13-L56 HydrophobicContact CE2-CG 4.39Å; F13-L56 HydrophobicContact CZ-CD1 3.99Å; F13-L56 HydrophobicContact CZ-CD2 4.11Å; F13-L56 HydrophobicContact CZ-CG 3.92Å; F13-L83 HydrophobicContact CD2-CD2 3.96Å; F13-L83 HydrophobicContact CE2-CD2 4.28Å; F13-G86 PolarHBondContact O-N 3.5Å; F13-V89 HydrophobicContact CD2-CG1 4.35Å; F13-V89 HydrophobicContact CE2-CG1 4Å
14S98.6Very high98.5Very high54 Ų5467.5 Ų67.538%0.37836%0.357SS..  trans-79.6163.6171.867.10000111.2R16 D17 V18S14-R16 PolarHBondContact O-N 3.02Å; S14-R16 PolarHBondContact OG-N 2.97Å; S14-D17 WeakPolarHBondContact CB-OD2 3.31Å; S14-D17 PolarHBondContact N-OD2 3.07Å; S14-D17 WeakPolarHBondContact O-CB 3.21Å; S14-D17 PolarHBondContact O-N 2.89Å; S14-D17 PolarHBondContact OG-N 3.06Å; S14-D17 VanDerWaalsContact OG-N 3.15Å; S14-D17 PolarHBondContact OG-OD2 2.84Å; S14-V18 PolarHBondContact O-N 2.86Å
15A98.1Very high98.5Very high54 Ų5469 Ų6945%0.44636%0.358SS..Hα-helixtrans-54.7-37.9170.900000111.3D17 V18 E19 V85A15-D17 PolarHBondContact O-N 3.43Å; A15-V18 WeakPolarHBondContact O-CB 3.47Å; A15-V18 PolarHBondContact O-N 3.17Å; A15-V18 VanDerWaalsContact O-N 3.15Å; A15-E19 WeakPolarHBondContact O-CG 3.43Å; A15-E19 PolarHBondContact O-N 2.89Å; A15-V85 HydrophobicContact CB-CG1 4.26Å
16R98.4Very high98.5Very high176 Ų17668.8 Ų68.866%0.66437%0.372SS*.Hα-helixtrans-63.4-38.4175.6-173177.9-178.7-161.2-0.1113.2S14 V18 E19 L20S14-R16 PolarHBondContact O-N 3.02Å; S14-R16 PolarHBondContact OG-N 2.97Å; R16-V18 VanDerWaalsContact C-N 3.26Å; R16-V18 PolarHBondContact O-N 2.9Å; R16-E19 PolarHBondContact O-N 3.02Å; R16-L20 HydrophobicContact CG-CD1 4.04Å; R16-L20 HydrophobicContact CG-CG 4.29Å; R16-L20 WeakPolarHBondContact O-CB 3.44Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.41Å
17D98.6Very high98.5Very high46 Ų4664.1 Ų64.125%0.24636%0.359CS..Hα-helixtrans-62.2-39.6175.3-64.9-83000110.6K11 F13 S14 A15 F21K11-D17 IonicContact NZ-OD1 3.6Å; K11-D17 PolarHBondContact NZ-OD1 2.93Å; K11-D17 IonicContact NZ-OD2 3.69Å; K11-D17 PolarHBondContact NZ-OD2 3.21Å; F13-D17 HydrophobicContact CB-CB 4.39Å; F13-D17 HydrophobicContact CD1-CB 3.96Å; S14-D17 WeakPolarHBondContact CB-OD2 3.31Å; S14-D17 PolarHBondContact N-OD2 3.07Å; S14-D17 WeakPolarHBondContact O-CB 3.21Å; S14-D17 PolarHBondContact O-N 2.89Å; S14-D17 PolarHBondContact OG-N 3.06Å; S14-D17 VanDerWaalsContact OG-N 3.15Å; S14-D17 PolarHBondContact OG-OD2 2.84Å; A15-D17 PolarHBondContact O-N 3.43Å; D17-F21 WeakPolarHBondContact O-CB 3.21Å; D17-F21 PolarHBondContact O-N 3.18Å
18V98.7Very high98.4Very high3 Ų368 Ų682%0.01838%0.381CS..Hα-helixtrans-68.6-44.7178.4176.80000111.4S14 A15 R16 F21 A22 H32 V33 V48 L52 V85S14-V18 PolarHBondContact O-N 2.86Å; A15-V18 WeakPolarHBondContact O-CB 3.47Å; A15-V18 PolarHBondContact O-N 3.17Å; A15-V18 VanDerWaalsContact O-N 3.15Å; R16-V18 VanDerWaalsContact C-N 3.26Å; R16-V18 PolarHBondContact O-N 2.9Å; V18-F21 PolarHBondContact O-N 2.82Å; V18-A22 WeakPolarHBondContact O-CB 3.48Å; V18-A22 PolarHBondContact O-N 3.25Å; V18-H32 HydrophobicContact CG1-CB 4.05Å; V18-H32 WeakPolarHBondContact CG1-O 3.49Å; V18-V33 HydrophobicContact CG1-CG1 4.3Å; V18-V48 HydrophobicContact CG2-CG2 4.4Å; V18-L52 HydrophobicContact CG2-CD2 4.26Å; V18-V85 HydrophobicContact CG2-CG2 4Å
19E98.4Very high98.4Very high97 Ų9768.2 Ų68.245%0.45338%0.378SS..Hα-helixtrans-59.4-49.2174.8-73.1165.6-171.400111.4A15 R16 F21 A22 E23A15-E19 WeakPolarHBondContact O-CG 3.43Å; A15-E19 PolarHBondContact O-N 2.89Å; R16-E19 PolarHBondContact O-N 3.02Å; E19-F21 VanDerWaalsContact C-N 3.27Å; E19-F21 PolarHBondContact O-N 2.96Å; E19-A22 WeakPolarHBondContact O-CB 3.37Å; E19-A22 PolarHBondContact O-N 2.87Å; E19-A22 VanDerWaalsContact O-N 3.15Å; E19-E23 WeakPolarHBondContact O-CG 3.46Å; E19-E23 PolarHBondContact O-N 2.88Å
20L98.6Very high98.4Very high85 Ų8568.5 Ų68.545%0.44538%0.382SS..Hα-helixtrans-61.1-37.2178.4-73.1171.9000112.1R16 L24R16-L20 HydrophobicContact CG-CD1 4.04Å; R16-L20 HydrophobicContact CG-CG 4.29Å; R16-L20 WeakPolarHBondContact O-CB 3.44Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.41Å; L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.07Å
21F98.8Very high98.4Very high36 Ų3666.6 Ų66.616%0.15837%0.369CS..Hα-helixtrans-68.9-41.7175.4-173.6-96.4000111.9D17 V18 E19 E23 L24 T25 H49 V51 L52D17-F21 WeakPolarHBondContact O-CB 3.21Å; D17-F21 PolarHBondContact O-N 3.18Å; V18-F21 PolarHBondContact O-N 2.82Å; E19-F21 VanDerWaalsContact C-N 3.27Å; E19-F21 PolarHBondContact O-N 2.96Å; F21-E23 VanDerWaalsContact C-N 3.34Å; F21-E23 PolarHBondContact O-N 2.99Å; F21-L24 PolarHBondContact O-N 2.87Å; F21-T25 HydrophobicContact CD1-CG2 4.12Å; F21-T25 HydrophobicContact CD2-CG2 4.07Å; F21-T25 HydrophobicContact CE1-CG2 3.75Å; F21-T25 HydrophobicContact CE2-CG2 3.72Å; F21-T25 HydrophobicContact CG-CG2 4.28Å; F21-T25 HydrophobicContact CZ-CG2 3.56Å; F21-T25 WeakPolarHBondContact O-CB 3.37Å; F21-T25 WeakPolarHBondContact O-CG2 3.06Å; F21-T25 PolarHBondContact O-N 2.96Å; F21-T25 PolarHBondContact O-OG1 2.83Å; F21-H49 HydrophobicContact CD1-CB 4Å; F21-H49 AromaticContact CD1-CD2 3.99Å; F21-H49 AromaticContact CD1-CG 3.71Å; F21-H49 AromaticContact CD1-ND1 3.77Å; F21-H49 HydrophobicContact CE1-CB 3.82Å; F21-H49 AromaticContact CE1-CG 3.89Å; F21-V51 HydrophobicContact CZ-CB 4.06Å; F21-V51 HydrophobicContact CZ-CG1 4.08Å; F21-L52 HydrophobicContact CB-CD1 4.2Å; F21-L52 HydrophobicContact CB-CD2 3.89Å; F21-L52 HydrophobicContact CB-CG 4.47Å; F21-L52 HydrophobicContact CD1-CB 4.04Å; F21-L52 HydrophobicContact CD2-CB 4.03Å; F21-L52 HydrophobicContact CD2-CD1 3.73Å; F21-L52 HydrophobicContact CD2-CG 4.33Å; F21-L52 HydrophobicContact CE1-CB 4.16Å; F21-L52 HydrophobicContact CE2-CB 4.13Å; F21-L52 HydrophobicContact CE2-CD1 4.33Å; F21-L52 HydrophobicContact CG-CB 3.97Å; F21-L52 HydrophobicContact CG-CD1 4.05Å; F21-L52 HydrophobicContact CG-CD2 4.14Å; F21-L52 HydrophobicContact CG-CG 4.28Å; F21-L52 HydrophobicContact CZ-CB 4.18Å
22A98.6Very high98.4Very high4 Ų464.6 Ų64.63%0.03336%0.361CS..Hα-helixtrans-60.5-43.2174.800000111.5V18 E19 G26 D27 V33V18-A22 WeakPolarHBondContact O-CB 3.48Å; V18-A22 PolarHBondContact O-N 3.25Å; E19-A22 WeakPolarHBondContact O-CB 3.37Å; E19-A22 PolarHBondContact O-N 2.87Å; E19-A22 VanDerWaalsContact O-N 3.15Å; A22-G26 CarbonylContact O-C 3.57Å; A22-G26 VanDerWaalsContact O-CA 3.24Å; A22-G26 WeakPolarHBondContact O-CA 3.34Å; A22-G26 PolarHBondContact O-N 2.78Å; A22-D27 WeakPolarHBondContact CA-O 3.46Å; A22-D27 WeakPolarHBondContact CB-O 3.48Å; A22-D27 PolarHBondContact O-N 2.83Å; A22-V33 HydrophobicContact CB-CG1 3.99Å
23E98.5Very high98.4Very high147 Ų14764.8 Ų64.869%0.68736%0.357SS*.Hα-helixtrans-63.2-45.7174.6-72.8178.6-176.600112.2E19 F21E19-E23 WeakPolarHBondContact O-CG 3.46Å; E19-E23 PolarHBondContact O-N 2.88Å; F21-E23 VanDerWaalsContact C-N 3.34Å; F21-E23 PolarHBondContact O-N 2.99Å
24L98.4Very high98.3Very high146 Ų14667.6 Ų67.676%0.76437%0.372SS*.Hα-helixtrans-65.8-39.9-177.9178.563.5000112.4L20 F21L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.07Å; F21-L24 PolarHBondContact O-N 2.87Å
25T98.4Very high98.3Very high70 Ų7069.1 Ų69.143%0.42938%0.381SS..Hα-helixtrans-95.8-20.8-173.360.60000113.7F21 D27F21-T25 HydrophobicContact CD1-CG2 4.12Å; F21-T25 HydrophobicContact CD2-CG2 4.07Å; F21-T25 HydrophobicContact CE1-CG2 3.75Å; F21-T25 HydrophobicContact CE2-CG2 3.72Å; F21-T25 HydrophobicContact CG-CG2 4.28Å; F21-T25 HydrophobicContact CZ-CG2 3.56Å; F21-T25 WeakPolarHBondContact O-CB 3.37Å; F21-T25 WeakPolarHBondContact O-CG2 3.06Å; F21-T25 PolarHBondContact O-N 2.96Å; F21-T25 PolarHBondContact O-OG1 2.83Å; T25-D27 VanDerWaalsContact C-N 3.26Å; T25-D27 PolarHBondContact OG1-N 2.83Å
26G98.3Very high98.3Very high53 Ų5369.7 Ų69.755%0.54639%0.386SS..  trans79.41.6-168.600000114.2A22 T28A22-G26 CarbonylContact O-C 3.57Å; A22-G26 VanDerWaalsContact O-CA 3.24Å; A22-G26 WeakPolarHBondContact O-CA 3.34Å; A22-G26 PolarHBondContact O-N 2.78Å; G26-T28 VanDerWaalsContact C-N 3.31Å; G26-T28 PolarHBondContact O-N 2.94Å
27D98.4Very high98.3Very high68 Ų6866.3 Ų66.336%0.36437%0.374SS..  trans-79.280.4175.5-170.5-7.9000111A22 T25 N29 H49A22-D27 WeakPolarHBondContact CA-O 3.46Å; A22-D27 WeakPolarHBondContact CB-O 3.48Å; A22-D27 PolarHBondContact O-N 2.83Å; T25-D27 VanDerWaalsContact C-N 3.26Å; T25-D27 PolarHBondContact OG1-N 2.83Å; D27-N29 VanDerWaalsContact C-N 3.27Å; D27-N29 PolarHBondContact O-N 2.83Å; D27-N29 VanDerWaalsContact OD1-CB 3.24Å; D27-N29 WeakPolarHBondContact OD1-CB 3.43Å; D27-N29 PolarHBondContact OD1-N 2.96Å; D27-H49 PolarHBondContact O-NE2 2.96Å; D27-H49 VanDerWaalsContact O-NE2 3.08Å; D27-H49 IonicContact OD2-CD2 3.8Å; D27-H49 PolarHBondContact OD2-CD2 2.88Å; D27-H49 IonicContact OD2-NE2 3.01Å
28T97.9Very high98.3Very high97 Ų9764.1 Ų64.160%0.59536%0.362SS*.  trans-91.525.1177.757.30000112.8G26 P30G26-T28 VanDerWaalsContact C-N 3.31Å; G26-T28 PolarHBondContact O-N 2.94Å; T28-P30 VanDerWaalsContact O-N 3.15Å
29N98.3Very high98.2Very high67 Ų6767.4 Ų67.436%0.35839%0.385SS..  trans-53.8123176.8-177.7-20.1000110.1D27 L31 H32D27-N29 VanDerWaalsContact C-N 3.27Å; D27-N29 PolarHBondContact O-N 2.83Å; D27-N29 VanDerWaalsContact OD1-CB 3.24Å; D27-N29 WeakPolarHBondContact OD1-CB 3.43Å; D27-N29 PolarHBondContact OD1-N 2.96Å; N29-L31 PolarHBondContact O-N 2.86Å; N29-L31 VanDerWaalsContact OD1-CB 3.31Å; N29-L31 WeakPolarHBondContact OD1-CB 3.44Å; N29-L31 PolarHBondContact OD1-N 3.48Å; N29-L31 VanDerWaalsContact OD1-N 3.08Å; N29-H32 PolarHBondContact O-N 2.91Å
30P98.1Very high98.2Very high45 Ų4567.9 Ų67.929%0.29239%0.394SS..Hα-helixtrans-62.5-17.8-173.626.1-36.7000113.1T28 H32 V33 D34 Y37T28-P30 VanDerWaalsContact O-N 3.15Å; P30-H32 PolarHBondContact O-N 3.48Å; P30-V33 PolarHBondContact O-N 3.07Å; P30-D34 HydrophobicContact CB-CB 3.97Å; P30-D34 PolarHBondContact O-N 3.35Å; P30-Y37 HydrophobicContact CB-CD1 3.72Å; P30-Y37 HydrophobicContact CB-CD2 4.16Å; P30-Y37 HydrophobicContact CB-CE1 4.33Å; P30-Y37 HydrophobicContact CB-CG 3.63Å; P30-Y37 HydrophobicContact CG-CD1 3.73Å; P30-Y37 HydrophobicContact CG-CD2 3.96Å; P30-Y37 HydrophobicContact CG-CE1 3.83Å; P30-Y37 HydrophobicContact CG-CE2 4.04Å; P30-Y37 HydrophobicContact CG-CG 3.8Å
31L98.2Very high98.2Very high29 Ų2965.3 Ų65.315%0.15238%0.382CS..Hα-helixtrans-55.6-29.8170.3-17960.6000113.2N29 Y37 T41 F43 P46 I47N29-L31 PolarHBondContact O-N 2.86Å; N29-L31 VanDerWaalsContact OD1-CB 3.31Å; N29-L31 WeakPolarHBondContact OD1-CB 3.44Å; N29-L31 PolarHBondContact OD1-N 3.48Å; N29-L31 VanDerWaalsContact OD1-N 3.08Å; L31-Y37 HydrophobicContact CB-CE1 4.38Å; L31-T41 HydrophobicContact CD1-CG2 4.16Å; L31-F43 HydrophobicContact CD1-CD2 3.6Å; L31-F43 HydrophobicContact CD1-CE2 4.19Å; L31-F43 HydrophobicContact CD1-CG 4.42Å; L31-F43 HydrophobicContact CD2-CD2 4.35Å; L31-F43 HydrophobicContact CD2-CE2 4.1Å; L31-P46 WeakPolarHBondContact O-CA 3.36Å; L31-I47 HydrophobicContact CD2-CD1 4.01Å; L31-I47 HydrophobicContact CD2-CG1 4.37Å; L31-I47 HydrophobicContact CG-CD1 4.28Å; L31-I47 HydrophobicContact CG-CG1 4.11Å; L31-I47 PolarHBondContact O-N 3.08Å
32H98.4Very high98.1Very high23 Ų2369 Ų6911%0.10641%0.413CS..Hα-helixtrans-95.8-28.8-178.1-59.4-54.4000113.5V18 N29 P30 P46 I47 H49V18-H32 HydrophobicContact CG1-CB 4.05Å; V18-H32 WeakPolarHBondContact CG1-O 3.49Å; N29-H32 PolarHBondContact O-N 2.91Å; P30-H32 PolarHBondContact O-N 3.48Å; H32-P46 WeakPolarHBondContact O-CB 3.31Å; H32-I47 PolarHBondContact ND1-O 2.87Å; H32-H49 WeakPolarHBondContact CB-CE1 3.32Å; H32-H49 AromaticContact CD2-CD2 3.17Å; H32-H49 PolarHBondContact CD2-CD2 2.94Å; H32-H49 AromaticContact CD2-CE1 3.83Å; H32-H49 AromaticContact CD2-CG 3.76Å; H32-H49 AromaticContact CD2-NE2 3.23Å; H32-H49 PolarHBondContact CD2-NE2 3.22Å; H32-H49 AromaticContact CG-CD2 3.65Å; H32-H49 AromaticContact CG-CE1 3.61Å; H32-H49 AromaticContact CG-CG 3.82Å; H32-H49 AromaticContact CG-ND1 3.81Å; H32-H49 AromaticContact CG-NE2 3.51Å; H32-H49 AromaticContact NE2-CD2 3.61Å
33V97.6Very high98.1Very high54 Ų5472.2 Ų72.233%0.32743%0.426SS..Hα-helixtrans-121.1-14.8-165.7-61.60000114.8V18 A22 P30V18-V33 HydrophobicContact CG1-CG1 4.3Å; A22-V33 HydrophobicContact CB-CG1 3.99Å; P30-V33 PolarHBondContact O-N 3.07Å
34D97.8Very high98Very high66 Ų6672.6 Ų72.635%0.35343%0.428SS..  trans-117105.9-177.3-177.7-9.2000110.9P30 A36 Y37 A38P30-D34 HydrophobicContact CB-CB 3.97Å; P30-D34 PolarHBondContact O-N 3.35Å; D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.04Å; D34-A36 WeakPolarHBondContact OD1-CA 3.5Å; D34-A36 VanDerWaalsContact OD1-CB 3.31Å; D34-A36 WeakPolarHBondContact OD1-CB 3.36Å; D34-A36 PolarHBondContact OD1-N 2.87Å; D34-Y37 PolarHBondContact O-N 2.88Å; D34-Y37 PolarHBondContact OD1-N 3.06Å; D34-A38 WeakPolarHBondContact O-CB 3.5Å; D34-A38 PolarHBondContact O-N 2.6Å
35P97.5Very high98Very high86 Ų8667.5 Ų67.556%0.55841%0.406SS*.Hα-helixtrans-58-35.3175.4-24.634000114.1S39 P46P35-S39 WeakPolarHBondContact O-CB 3.25Å; P35-S39 PolarHBondContact O-N 3.11Å; P35-P46 HydrophobicContact CB-CG 4.26Å; P35-P46 HydrophobicContact CG-CG 4.06Å
36A98.2Very high98Very high66 Ų6665.3 Ų65.355%0.54539%0.393SS..Hα-helixtrans-68.4-44.7-18000000110.5D34 S39D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.04Å; D34-A36 WeakPolarHBondContact OD1-CA 3.5Å; D34-A36 VanDerWaalsContact OD1-CB 3.31Å; D34-A36 WeakPolarHBondContact OD1-CB 3.36Å; D34-A36 PolarHBondContact OD1-N 2.87Å; A36-S39 PolarHBondContact O-OG 2.99Å
37Y98.3Very high98Very high105 Ų10563.5 Ų63.541%0.41237%0.371SS..Hα-helixtrans-63.1-49.6173.2-178.7-90.6000111.7P30 L31 D34 S39 T40 T41P30-Y37 HydrophobicContact CB-CD1 3.72Å; P30-Y37 HydrophobicContact CB-CD2 4.16Å; P30-Y37 HydrophobicContact CB-CE1 4.33Å; P30-Y37 HydrophobicContact CB-CG 3.63Å; P30-Y37 HydrophobicContact CG-CD1 3.73Å; P30-Y37 HydrophobicContact CG-CD2 3.96Å; P30-Y37 HydrophobicContact CG-CE1 3.83Å; P30-Y37 HydrophobicContact CG-CE2 4.04Å; P30-Y37 HydrophobicContact CG-CG 3.8Å; L31-Y37 HydrophobicContact CB-CE1 4.38Å; D34-Y37 PolarHBondContact O-N 2.88Å; D34-Y37 PolarHBondContact OD1-N 3.06Å; Y37-S39 PolarHBondContact O-N 2.85Å; Y37-T40 WeakPolarHBondContact O-CB 3.16Å; Y37-T40 PolarHBondContact O-N 2.99Å; Y37-T40 PolarHBondContact O-OG1 2.76Å; Y37-T41 HydrophobicContact CD1-CG2 4.32Å; Y37-T41 HydrophobicContact CE1-CG2 3.98Å
38A97.9Very high98Very high0 Ų060.5 Ų60.50%036%0.355CS..Hα-helixtrans-59.1-34.4-177.700000112.6D34 T40 T41 E44 A45 P46D34-A38 WeakPolarHBondContact O-CB 3.5Å; D34-A38 PolarHBondContact O-N 2.6Å; A38-T40 PolarHBondContact O-N 3.39Å; A38-T40 VanDerWaalsContact O-N 3.15Å; A38-T41 WeakPolarHBondContact O-CB 3.18Å; A38-T41 PolarHBondContact O-N 2.76Å; A38-T41 PolarHBondContact O-OG1 3.02Å; A38-E44 WeakPolarHBondContact O-CA 3.32Å; A38-E44 PolarHBondContact O-N 2.89Å; A38-A45 VanDerWaalsContact CB-C 3.47Å; A38-P46 HydrophobicContact CB-CG 4.05Å
39S98Very high98.1Very high71 Ų7156 Ų5650%0.49733%0.328SS..THydrogen-bonded Turntrans-60.1-20.3174.578.80000114.4P35 A36 Y37 E44P35-S39 WeakPolarHBondContact O-CB 3.25Å; P35-S39 PolarHBondContact O-N 3.11Å; A36-S39 PolarHBondContact O-OG 2.99Å; Y37-S39 PolarHBondContact O-N 2.85Å; S39-E44 WeakPolarHBondContact CA-O 3.43Å
40T98.4Very high98.1Very high107 Ų10754 Ų5466%0.65632%0.322SS*.THydrogen-bonded Turntrans-88-6.5176.872.90000113.3Y37 A38Y37-T40 WeakPolarHBondContact O-CB 3.16Å; Y37-T40 PolarHBondContact O-N 2.99Å; Y37-T40 PolarHBondContact O-OG1 2.76Å; A38-T40 PolarHBondContact O-N 3.39Å; A38-T40 VanDerWaalsContact O-N 3.15Å
41T98.1Very high98Very high32 Ų3256.4 Ų56.420%0.19634%0.336CS..SBendtrans-100.1168.5-178.276.70000111L31 Y37 A38 F43 E44L31-T41 HydrophobicContact CD1-CG2 4.16Å; Y37-T41 HydrophobicContact CD1-CG2 4.32Å; Y37-T41 HydrophobicContact CE1-CG2 3.98Å; A38-T41 WeakPolarHBondContact O-CB 3.18Å; A38-T41 PolarHBondContact O-N 2.76Å; A38-T41 PolarHBondContact O-OG1 3.02Å; T41-F43 PolarHBondContact O-N 2.93Å; T41-F43 PolarHBondContact OG1-N 2.86Å; T41-E44 PolarHBondContact O-N 3.23Å; T41-E44 VanDerWaalsContact O-N 3.11Å
42S97.3Very high98.1Very high113 Ų11356.1 Ų56.179%0.7934%0.335SS*.THydrogen-bonded Turntrans-64.9-8.7173.859.50000114.3
43F97Very high98.1Very high72 Ų7255.2 Ų55.232%0.31633%0.33SS..THydrogen-bonded Turntrans-86.7-22.8175.2-58.7-73.4000112.6L31 T41 A45 I47 P82 F84L31-F43 HydrophobicContact CD1-CD2 3.6Å; L31-F43 HydrophobicContact CD1-CE2 4.19Å; L31-F43 HydrophobicContact CD1-CG 4.42Å; L31-F43 HydrophobicContact CD2-CD2 4.35Å; L31-F43 HydrophobicContact CD2-CE2 4.1Å; T41-F43 PolarHBondContact O-N 2.93Å; T41-F43 PolarHBondContact OG1-N 2.86Å; F43-A45 PolarHBondContact O-N 2.77Å; F43-I47 HydrophobicContact CB-CG2 4.09Å; F43-I47 HydrophobicContact CD1-CD1 4.28Å; F43-I47 HydrophobicContact CD1-CG2 4.05Å; F43-I47 HydrophobicContact CD2-CD1 4.37Å; F43-I47 HydrophobicContact CE1-CD1 4.13Å; F43-I47 HydrophobicContact CE2-CD1 4.2Å; F43-I47 HydrophobicContact CG-CD1 4.39Å; F43-I47 HydrophobicContact CG-CG2 4.14Å; F43-I47 HydrophobicContact CZ-CD1 4.08Å; F43-P82 HydrophobicContact CD1-CB 4.09Å; F43-P82 HydrophobicContact CD1-CG 4.02Å; F43-P82 HydrophobicContact CE1-CB 3.96Å; F43-P82 HydrophobicContact CE1-CG 3.95Å; F43-F84 HydrophobicContact CB-CE1 4.41Å; F43-F84 VanDerWaalsContact O-CE1 3.31Å; F43-F84 WeakPolarHBondContact O-CE1 3.24Å
44E97.7Very high98.1Very high154 Ų15454 Ų5472%0.7232%0.322SS*.  trans61.1-10.7178.3-55.5179179.600116.5A38 S39 T41A38-E44 WeakPolarHBondContact O-CA 3.32Å; A38-E44 PolarHBondContact O-N 2.89Å; S39-E44 WeakPolarHBondContact CA-O 3.43Å; T41-E44 PolarHBondContact O-N 3.23Å; T41-E44 VanDerWaalsContact O-N 3.11Å
45A98Very high98.1Very high39 Ų3952.7 Ų52.732%0.32232%0.324SS..SBendtrans-152.3159.3177.800000110.7A38 F43 I47 F84A38-A45 VanDerWaalsContact CB-C 3.47Å; F43-A45 PolarHBondContact O-N 2.77Å; A45-I47 PolarHBondContact O-N 2.99Å; A45-F84 HydrophobicContact CB-CD1 4.19Å; A45-F84 HydrophobicContact CB-CE1 4.29Å
46P98.4Very high98.1Very high24 Ų2449.1 Ų49.116%0.15630%0.3CS..  trans-59.4137.6178.2-24.935000113L31 H32 P35 A38 V85L31-P46 WeakPolarHBondContact O-CA 3.36Å; H32-P46 WeakPolarHBondContact O-CB 3.31Å; P35-P46 HydrophobicContact CB-CG 4.26Å; P35-P46 HydrophobicContact CG-CG 4.06Å; A38-P46 HydrophobicContact CB-CG 4.05Å; P46-V85 HydrophobicContact CB-CG2 4.26Å; P46-V85 PolarHBondContact O-N 3.45Å
47I98.6Very high98.1Very high16 Ų1646 Ų468%0.08228%0.275CS..BIsolated β-bridgetrans-11015117663.5173.9000110.3L31 H32 F43 A45 P82 L83 F84L31-I47 HydrophobicContact CD2-CD1 4.01Å; L31-I47 HydrophobicContact CD2-CG1 4.37Å; L31-I47 HydrophobicContact CG-CD1 4.28Å; L31-I47 HydrophobicContact CG-CG1 4.11Å; L31-I47 PolarHBondContact O-N 3.08Å; H32-I47 PolarHBondContact ND1-O 2.87Å; F43-I47 HydrophobicContact CB-CG2 4.09Å; F43-I47 HydrophobicContact CD1-CD1 4.28Å; F43-I47 HydrophobicContact CD1-CG2 4.05Å; F43-I47 HydrophobicContact CD2-CD1 4.37Å; F43-I47 HydrophobicContact CE1-CD1 4.13Å; F43-I47 HydrophobicContact CE2-CD1 4.2Å; F43-I47 HydrophobicContact CG-CD1 4.39Å; F43-I47 HydrophobicContact CG-CG2 4.14Å; F43-I47 HydrophobicContact CZ-CD1 4.08Å; A45-I47 PolarHBondContact O-N 2.99Å; I47-P82 HydrophobicContact CB-CB 4.32Å; I47-P82 HydrophobicContact CD1-CB 4.26Å; I47-P82 HydrophobicContact CG2-CB 3.84Å; I47-L83 CarbonylContact C-O 3.51Å; I47-L83 WeakPolarHBondContact CA-O 3.32Å; I47-F84 HydrophobicContact CG2-CD1 3.83Å; I47-F84 HydrophobicContact CG2-CE1 3.76Å; I47-F84 HydrophobicContact CG2-CZ 4.39Å
48V98.8Very high98.1Very high4 Ų444.6 Ų44.62%0.02428%0.28CS..  trans-69.3138.1176.2-1760000109.6F13 V18 G50 L52 I53 L83 V85F13-V48 HydrophobicContact CB-CG1 4.32Å; F13-V48 HydrophobicContact CB-CG2 3.99Å; F13-V48 HydrophobicContact CD2-CG1 3.93Å; F13-V48 HydrophobicContact CD2-CG2 4.37Å; F13-V48 HydrophobicContact CE2-CG1 4.36Å; F13-V48 HydrophobicContact CG-CG1 4.05Å; F13-V48 HydrophobicContact CG-CG2 4.46Å; V18-V48 HydrophobicContact CG2-CG2 4.4Å; V48-G50 PolarHBondContact O-N 3.45Å; V48-L52 HydrophobicContact CG1-CB 4.23Å; V48-L52 HydrophobicContact CG1-CD2 3.84Å; V48-L52 HydrophobicContact CG1-CG 4.08Å; V48-I53 HydrophobicContact CB-CD1 4.45Å; V48-I53 HydrophobicContact CB-CG1 4.31Å; V48-I53 HydrophobicContact CG1-CD1 4.48Å; V48-I53 HydrophobicContact CG1-CG1 3.82Å; V48-L83 HydrophobicContact CB-CB 4.34Å; V48-L83 HydrophobicContact CB-CD2 4.3Å; V48-L83 HydrophobicContact CG2-CB 4.43Å; V48-L83 HydrophobicContact CG2-CD2 4.09Å; V48-L83 HydrophobicContact CG2-CG 4.16Å; V48-L83 PolarHBondContact N-O 3.15Å; V48-V85 HydrophobicContact CG2-CG2 4.25Å
49H98.8Very high98Very high3 Ų346.3 Ų46.31%0.01429%0.294CS..  trans-55.1131.2172.6-55.877.1000110.4F21 D27 H32 V51 L52 I53F21-H49 HydrophobicContact CD1-CB 4Å; F21-H49 AromaticContact CD1-CD2 3.99Å; F21-H49 AromaticContact CD1-CG 3.71Å; F21-H49 AromaticContact CD1-ND1 3.77Å; F21-H49 HydrophobicContact CE1-CB 3.82Å; F21-H49 AromaticContact CE1-CG 3.89Å; D27-H49 PolarHBondContact O-NE2 2.96Å; D27-H49 VanDerWaalsContact O-NE2 3.08Å; D27-H49 IonicContact OD2-CD2 3.8Å; D27-H49 PolarHBondContact OD2-CD2 2.88Å; D27-H49 IonicContact OD2-NE2 3.01Å; H32-H49 WeakPolarHBondContact CB-CE1 3.32Å; H32-H49 AromaticContact CD2-CD2 3.17Å; H32-H49 PolarHBondContact CD2-CD2 2.94Å; H32-H49 AromaticContact CD2-CE1 3.83Å; H32-H49 AromaticContact CD2-CG 3.76Å; H32-H49 AromaticContact CD2-NE2 3.23Å; H32-H49 PolarHBondContact CD2-NE2 3.22Å; H32-H49 AromaticContact CG-CD2 3.65Å; H32-H49 AromaticContact CG-CE1 3.61Å; H32-H49 AromaticContact CG-CG 3.82Å; H32-H49 AromaticContact CG-ND1 3.81Å; H32-H49 AromaticContact CG-NE2 3.51Å; H32-H49 AromaticContact NE2-CD2 3.61Å; H49-V51 PolarHBondContact O-N 2.87Å; H49-L52 HydrophobicContact CB-CB 3.95Å; H49-L52 WeakPolarHBondContact O-CB 3.45Å; H49-L52 PolarHBondContact O-N 3.02Å; H49-I53 PolarHBondContact O-N 2.83Å
50G98.1Very high98.1Very high24 Ų2443 Ų4325%0.24727%0.271CS..Hα-helixtrans-57.1-38.7178.800000112.7V48 L52 I53 N54 F79V48-G50 PolarHBondContact O-N 3.45Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 3.02Å; G50-I53 WeakPolarHBondContact O-CB 3.07Å; G50-I53 PolarHBondContact O-N 3.14Å; G50-N54 PolarHBondContact O-N 3.34Å; G50-F79 VanDerWaalsContact C-CE1 3.48Å; G50-F79 WeakPolarHBondContact O-CE1 3.49Å
51V97.8Very high98Very high96 Ų9637.9 Ų37.958%0.58224%0.24SC*.Hα-helixtrans-68.5-29.7178-173.90000112.2F21 H49 N54 G55F21-V51 HydrophobicContact CZ-CB 4.06Å; F21-V51 HydrophobicContact CZ-CG1 4.08Å; H49-V51 PolarHBondContact O-N 2.87Å; V51-N54 WeakPolarHBondContact O-CB 3.46Å; V51-N54 PolarHBondContact O-N 3Å; V51-G55 PolarHBondContact O-N 2.89Å; V51-G55 VanDerWaalsContact O-N 3.09Å
52L98.6Very high98Very high23 Ų2337.9 Ų37.912%0.1225%0.246CC..Hα-helixtrans-67.3-40.5172.6175.156.4000111.1F13 V18 F21 V48 H49 G50 N54 G55F13-L52 HydrophobicContact CD1-CD1 4.22Å; F13-L52 HydrophobicContact CD1-CD2 3.89Å; F13-L52 HydrophobicContact CD1-CG 3.91Å; F13-L52 HydrophobicContact CE1-CD1 3.64Å; F13-L52 HydrophobicContact CE1-CD2 4.09Å; F13-L52 HydrophobicContact CE1-CG 3.58Å; F13-L52 HydrophobicContact CZ-CD1 4.38Å; F13-L52 HydrophobicContact CZ-CG 4.09Å; V18-L52 HydrophobicContact CG2-CD2 4.26Å; F21-L52 HydrophobicContact CB-CD1 4.2Å; F21-L52 HydrophobicContact CB-CD2 3.89Å; F21-L52 HydrophobicContact CB-CG 4.47Å; F21-L52 HydrophobicContact CD1-CB 4.04Å; F21-L52 HydrophobicContact CD2-CB 4.03Å; F21-L52 HydrophobicContact CD2-CD1 3.73Å; F21-L52 HydrophobicContact CD2-CG 4.33Å; F21-L52 HydrophobicContact CE1-CB 4.16Å; F21-L52 HydrophobicContact CE2-CB 4.13Å; F21-L52 HydrophobicContact CE2-CD1 4.33Å; F21-L52 HydrophobicContact CG-CB 3.97Å; F21-L52 HydrophobicContact CG-CD1 4.05Å; F21-L52 HydrophobicContact CG-CD2 4.14Å; F21-L52 HydrophobicContact CG-CG 4.28Å; F21-L52 HydrophobicContact CZ-CB 4.18Å; V48-L52 HydrophobicContact CG1-CB 4.23Å; V48-L52 HydrophobicContact CG1-CD2 3.84Å; V48-L52 HydrophobicContact CG1-CG 4.08Å; H49-L52 HydrophobicContact CB-CB 3.95Å; H49-L52 WeakPolarHBondContact O-CB 3.45Å; H49-L52 PolarHBondContact O-N 3.02Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 3.02Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 3.2Å; L52-G55 PolarHBondContact O-N 3.06Å; L52-G55 VanDerWaalsContact O-N 3.11Å
53I98.6Very high97.9Very high4 Ų436.5 Ų36.52%0.02123%0.233CC..Hα-helixtrans-59.4-44.2172-56.2170.1000110F13 V48 H49 G50 G55 L56 L83 C109 V116 M117F13-I53 HydrophobicContact CE2-CG1 4.47Å; V48-I53 HydrophobicContact CB-CD1 4.45Å; V48-I53 HydrophobicContact CB-CG1 4.31Å; V48-I53 HydrophobicContact CG1-CD1 4.48Å; V48-I53 HydrophobicContact CG1-CG1 3.82Å; H49-I53 PolarHBondContact O-N 2.83Å; G50-I53 WeakPolarHBondContact O-CB 3.07Å; G50-I53 PolarHBondContact O-N 3.14Å; I53-G55 PolarHBondContact O-N 3.24Å; I53-L56 VanDerWaalsContact O-CB 3.29Å; I53-L56 WeakPolarHBondContact O-CB 3.43Å; I53-L56 WeakPolarHBondContact O-CG 3.38Å; I53-L56 PolarHBondContact O-N 3.43Å; I53-L83 HydrophobicContact CD1-CB 3.6Å; I53-L83 HydrophobicContact CD1-CD2 3.9Å; I53-L83 HydrophobicContact CD1-CG 4.42Å; I53-L83 HydrophobicContact CG1-CB 4.48Å; I53-L83 HydrophobicContact CG1-CD2 3.91Å; I53-C109 HydrophobicContact CG2-CB 3.87Å; I53-V116 HydrophobicContact CD1-CG2 4.39Å; I53-V116 HydrophobicContact CG2-CG2 4.34Å; I53-M117 HydrophobicContact CG2-CB 4.38Å; I53-M117 HydrophobicContact CG2-SD 4.46Å
54N98.3Very high97.9Very high29 Ų2941.1 Ų41.116%0.15525%0.248CC..Hα-helixtrans-59.8-29.1177-173.541.1000113.1G50 V51 L52 L56 M57 Q75 I77 M117G50-N54 PolarHBondContact O-N 3.34Å; V51-N54 WeakPolarHBondContact O-CB 3.46Å; V51-N54 PolarHBondContact O-N 3Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 3.2Å; N54-L56 PolarHBondContact O-N 3.39Å; N54-M57 WeakPolarHBondContact O-CB 3.28Å; N54-M57 PolarHBondContact O-N 2.76Å; N54-Q75 PolarHBondContact ND2-OE1 2.65Å; N54-Q75 VanDerWaalsContact OD1-CD 3.31Å; N54-Q75 PolarHBondContact OD1-NE2 3.17Å; N54-Q75 PolarHBondContact OD1-OE1 2.84Å; N54-I77 HydrophobicContact CB-CD1 4.06Å; N54-M117 HydrophobicContact CB-SD 3.85Å
55G97.9Very high97.8Very high38 Ų3834 Ų3439%0.39222%0.215SC..Hα-helixtrans-53.7-26.6172.700000113.8V51 L52 I53 M57 S58 A59V51-G55 PolarHBondContact O-N 2.89Å; V51-G55 VanDerWaalsContact O-N 3.09Å; L52-G55 PolarHBondContact O-N 3.06Å; L52-G55 VanDerWaalsContact O-N 3.11Å; I53-G55 PolarHBondContact O-N 3.24Å; G55-M57 VanDerWaalsContact C-N 3.25Å; G55-M57 PolarHBondContact O-N 3.2Å; G55-S58 VanDerWaalsContact O-CB 3.32Å; G55-S58 WeakPolarHBondContact O-CB 3.1Å; G55-S58 PolarHBondContact O-N 3.5Å; G55-S58 VanDerWaalsContact O-N 3.14Å; G55-A59 PolarHBondContact O-N 3.48Å
56L98.3Very high97.7Very high12 Ų1232.4 Ų32.46%0.06320%0.201CC..Hα-helixtrans-62.8-31173.5-64.8177.6000112.7K11 F13 I53 N54 S58 A59 V60 V89 A91K11-L56 HydrophobicContact CB-CD2 4.16Å; K11-L56 HydrophobicContact CD-CD2 4.01Å; F13-L56 HydrophobicContact CE2-CD1 3.94Å; F13-L56 HydrophobicContact CE2-CG 4.39Å; F13-L56 HydrophobicContact CZ-CD1 3.99Å; F13-L56 HydrophobicContact CZ-CD2 4.11Å; F13-L56 HydrophobicContact CZ-CG 3.92Å; I53-L56 VanDerWaalsContact O-CB 3.29Å; I53-L56 WeakPolarHBondContact O-CB 3.43Å; I53-L56 WeakPolarHBondContact O-CG 3.38Å; I53-L56 PolarHBondContact O-N 3.43Å; N54-L56 PolarHBondContact O-N 3.39Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-A59 PolarHBondContact O-N 2.89Å; L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.84Å; L56-V89 HydrophobicContact CD1-CG1 3.73Å; L56-A91 HydrophobicContact CB-CB 3.74Å; L56-A91 HydrophobicContact CD1-CB 3.84Å; L56-A91 HydrophobicContact CG-CB 4.39Å
57M98.3Very high97.6Very high0 Ų031.4 Ų31.40%020%0.195CC..Hα-helixtrans-67.3-36.8175.2-66.1-58.4104.800111.5N54 G55 A59 V60 L61 F72 A91 V107 M117N54-M57 WeakPolarHBondContact O-CB 3.28Å; N54-M57 PolarHBondContact O-N 2.76Å; G55-M57 VanDerWaalsContact C-N 3.25Å; G55-M57 PolarHBondContact O-N 3.2Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.92Å; M57-V60 HydrophobicContact CE-CG2 4.29Å; M57-V60 PolarHBondContact O-N 3.42Å; M57-L61 VanDerWaalsContact O-CB 3.24Å; M57-L61 WeakPolarHBondContact O-CB 3.37Å; M57-L61 WeakPolarHBondContact O-CG 3.44Å; M57-L61 PolarHBondContact O-N 3.01Å; M57-F72 HydrophobicContact CB-CE2 4.2Å; M57-F72 HydrophobicContact CB-CZ 4.4Å; M57-A91 HydrophobicContact CE-CB 3.39Å; M57-V107 HydrophobicContact CG-CB 4.18Å; M57-V107 HydrophobicContact CG-CG1 4.21Å; M57-V107 HydrophobicContact CG-CG2 4.48Å; M57-V107 HydrophobicContact SD-CB 3.43Å; M57-V107 WeakPolarHBondContact SD-CB 3.25Å; M57-V107 HydrophobicContact SD-CG1 3.36Å; M57-V107 WeakPolarHBondContact SD-CG1 3.31Å; M57-V107 HydrophobicContact SD-CG2 4.33Å; M57-M117 HydrophobicContact CG-CE 3.62Å; M57-M117 HydrophobicContact SD-CE 4.39Å
58S96.8Very high97.4Very high76 Ų7635.8 Ų35.853%0.53122%0.224SC..Hα-helixtrans-58.8-44.6171.1-174.30000111.1G55 L56 G62G55-S58 VanDerWaalsContact O-CB 3.32Å; G55-S58 WeakPolarHBondContact O-CB 3.1Å; G55-S58 PolarHBondContact O-N 3.5Å; G55-S58 VanDerWaalsContact O-N 3.14Å; L56-S58 VanDerWaalsContact C-N 3.33Å; S58-G62 WeakPolarHBondContact O-CA 3.24Å; S58-G62 PolarHBondContact O-N 2.73Å
59A97.4Very high97.3Very high36 Ų3638.5 Ų38.530%0.29825%0.253SS..Hα-helixtrans-65.5-49.2178.500000112.6I9 G55 L56 M57 L61 T63I9-A59 HydrophobicContact CD1-CB 4.16Å; G55-A59 PolarHBondContact O-N 3.48Å; L56-A59 PolarHBondContact O-N 2.89Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.92Å; A59-L61 PolarHBondContact O-N 3.14Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 WeakPolarHBondContact O-CG2 3.35Å; A59-T63 PolarHBondContact O-N 3.37Å; A59-T63 PolarHBondContact O-OG1 2.82Å
60V98.2Very high97.1Very high0 Ų039.5 Ų39.50%026%0.261CS..Hα-helixtrans-59.3-49.6178.6173.90000110.1A7 I9 L56 M57 R64 M65 A91 A93A7-V60 HydrophobicContact CB-CG1 4.01Å; I9-V60 HydrophobicContact CB-CG2 4.01Å; I9-V60 HydrophobicContact CD1-CG2 4Å; I9-V60 HydrophobicContact CG1-CG2 3.91Å; L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.84Å; M57-V60 HydrophobicContact CE-CG2 4.29Å; M57-V60 PolarHBondContact O-N 3.42Å; V60-R64 WeakPolarHBondContact O-CA 3.25Å; V60-R64 VanDerWaalsContact O-CB 3.32Å; V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.2Å; V60-M65 PolarHBondContact O-N 2.81Å; V60-A91 HydrophobicContact CG2-CB 4.5Å; V60-A93 HydrophobicContact CG1-CB 3.78Å
61L97.8Very high97.1Very high1 Ų141.9 Ų41.91%0.00527%0.27CS..Hα-helixtrans-73-40.4-173.4-59.3179.2000113.2M57 A59 M65 G67 F72 A93 I105 V121 V123M57-L61 VanDerWaalsContact O-CB 3.24Å; M57-L61 WeakPolarHBondContact O-CB 3.37Å; M57-L61 WeakPolarHBondContact O-CG 3.44Å; M57-L61 PolarHBondContact O-N 3.01Å; A59-L61 PolarHBondContact O-N 3.14Å; L61-M65 VanDerWaalsContact CA-O 3.25Å; L61-M65 WeakPolarHBondContact CA-O 3.31Å; L61-M65 WeakPolarHBondContact CD2-O 3.48Å; L61-M65 CarbonylContact O-C 3.55Å; L61-G67 PolarHBondContact O-N 3.11Å; L61-F72 HydrophobicContact CD1-CD2 4.11Å; L61-F72 HydrophobicContact CD1-CE2 3.59Å; L61-F72 HydrophobicContact CD1-CZ 3.99Å; L61-A93 HydrophobicContact CD2-CB 4Å; L61-I105 HydrophobicContact CD2-CD1 3.69Å; L61-I105 HydrophobicContact CD2-CG2 4.2Å; L61-V121 HydrophobicContact CD1-CB 4.24Å; L61-V121 HydrophobicContact CD1-CG1 3.65Å; L61-V121 HydrophobicContact CD1-CG2 4.41Å; L61-V123 HydrophobicContact CD1-CG1 3.92Å
62G96.8Very high97.1Very high31 Ų3140.9 Ų40.932%0.3226%0.258SS..Hα-helixtrans-79.8-21.1-178.800000114.8S58 G67S58-G62 WeakPolarHBondContact O-CA 3.24Å; S58-G62 PolarHBondContact O-N 2.73Å; G62-G67 CarbonylContact O-C 3.55Å
63T96.3Very high97Very high85 Ų8543.4 Ų43.452%0.52127%0.271SS..Hα-helixtrans-121-22.7-173.675.30000115A59A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 WeakPolarHBondContact O-CG2 3.35Å; A59-T63 PolarHBondContact O-N 3.37Å; A59-T63 PolarHBondContact O-OG1 2.82Å
64R96.4Very high97Very high169 Ų16949.1 Ų49.164%0.63829%0.293SS*.THydrogen-bonded Turntrans-113.5-60.8-178-54.8-61.7-171.9169.21.4112A7 I9 V60A7-R64 HydrophobicContact CB-CB 4.04Å; I9-R64 HydrophobicContact CD1-CG 4.17Å; I9-R64 HydrophobicContact CG1-CG 4.34Å; V60-R64 WeakPolarHBondContact O-CA 3.25Å; V60-R64 VanDerWaalsContact O-CB 3.32Å; V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.2Å
65M96.4Very high97Very high4 Ų450 Ų502%0.0230%0.297CS..SBendtrans-155.6119.2-173.8178.5-78.1-67.700109.8L1 Q5 A7 V60 L61 G67 A93 V95 I105L1-M65 HydrophobicContact CD1-CG 3.58Å; L1-M65 HydrophobicContact CD1-SD 3.6Å; L1-M65 VanDerWaalsContact CD1-SD 3.6Å; Q5-M65 HydrophobicContact CG-CG 4.31Å; A7-M65 HydrophobicContact CB-CB 3.56Å; A7-M65 HydrophobicContact CB-CE 4.22Å; A7-M65 HydrophobicContact CB-CG 4.45Å; V60-M65 PolarHBondContact O-N 2.81Å; L61-M65 VanDerWaalsContact CA-O 3.25Å; L61-M65 WeakPolarHBondContact CA-O 3.31Å; L61-M65 WeakPolarHBondContact CD2-O 3.48Å; L61-M65 CarbonylContact O-C 3.55Å; M65-G67 VanDerWaalsContact C-N 3.3Å; M65-A93 HydrophobicContact CE-CB 3.76Å; M65-V95 HydrophobicContact CE-CG2 3.99Å; M65-V95 HydrophobicContact SD-CG2 3.52Å; M65-V95 VanDerWaalsContact SD-CG2 3.52Å; M65-I105 HydrophobicContact CE-CG2 4.43Å; M65-I105 HydrophobicContact SD-CD1 4.11Å
66P95.8Very high97Very high6 Ų654.3 Ų54.34%0.03931%0.307CS..SBendcis-67.9-17.74.2-24.335.8000116L1 C70 I105 V123 P126 Q129L1-P66 HydrophobicContact CD1-CB 4.36Å; L1-P66 HydrophobicContact CD1-CG 4.36Å; L1-P66 HydrophobicContact CD2-CG 4.19Å; P66-C70 HydrophobicContact CB-CB 4.16Å; P66-C70 HydrophobicContact CG-CB 4.44Å; P66-I105 HydrophobicContact CG-CD1 4.24Å; P66-V123 HydrophobicContact CG-CG2 3.77Å; P66-P126 HydrophobicContact CB-CG 4.3Å; P66-Q129 PolarHBondContact O-NE2 3.01Å
67G95.4Very high97Very high2 Ų256 Ų562%0.02132%0.315CS..  trans96.9-163.6175.300000114L61 G62 M65 G69 C70L61-G67 PolarHBondContact O-N 3.11Å; G62-G67 CarbonylContact O-C 3.55Å; M65-G67 VanDerWaalsContact C-N 3.3Å; G67-G69 PolarHBondContact O-N 3.45Å; G67-C70 WeakPolarHBondContact O-CB 3.43Å; G67-C70 PolarHBondContact O-N 3.09Å
68P96.1Very high97Very high108 Ų10863.3 Ų63.370%0.70134%0.343SS*.THydrogen-bonded Turntrans-54.6132.3-172.4-28.235.6000113.5P126P68-P126 WeakPolarHBondContact O-CB 3.39Å; P68-P126 VanDerWaalsContact O-CG 3.31Å; P68-P126 WeakPolarHBondContact O-CG 3.24Å
69G95.1Very high97.1Very high61 Ų6164 Ų6463%0.62934%0.336SS*.THydrogen-bonded Turntrans88.9-1.1-176.200000114.5G67G67-G69 PolarHBondContact O-N 3.45Å
70C96.1Very high97.1Very high25 Ų2565.9 Ų65.917%0.16935%0.345CS..  trans-66.8136.5170.4-179.30000110.9P66 G67 V123 M124 P126P66-C70 HydrophobicContact CB-CB 4.16Å; P66-C70 HydrophobicContact CG-CB 4.44Å; G67-C70 WeakPolarHBondContact O-CB 3.43Å; G67-C70 PolarHBondContact O-N 3.09Å; C70-V123 VanDerWaalsContact SG-CB 3.52Å; C70-M124 WeakPolarHBondContact CA-O 3.36Å; C70-P126 HydrophobicContact CB-CG 4.41Å
71V97.5Very high97.1Very high73 Ų7367.1 Ų67.144%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-112.7124.9176.5-174.50000109.9L73 V123 M124V71-L73 HydrophobicContact CG1-CD2 3.89Å; V71-V123 CarbonylContact O-C 3.56Å; V71-V123 WeakPolarHBondContact O-CA 3.24Å; V71-V123 WeakPolarHBondContact O-CB 3.45Å; V71-M124 HydrophobicContact CB-CB 4.05Å; V71-M124 PolarHBondContact N-O 2.92Å; V71-M124 PolarHBondContact O-N 3.3Å
72F96.8Very high97.1Very high76 Ų7669 Ų6933%0.33337%0.368SS..EExtended strand (participates in β ladder)trans-79.2119.9177.5-143.6-54.9000109.4M57 L61 Q75 V121M57-F72 HydrophobicContact CB-CE2 4.2Å; M57-F72 HydrophobicContact CB-CZ 4.4Å; L61-F72 HydrophobicContact CD1-CD2 4.11Å; L61-F72 HydrophobicContact CD1-CE2 3.59Å; L61-F72 HydrophobicContact CD1-CZ 3.99Å; F72-Q75 HydrophobicContact CE1-CB 3.96Å; F72-Q75 HydrophobicContact CE1-CG 4.44Å; F72-V121 HydrophobicContact CD1-CG1 3.8Å; F72-V121 HydrophobicContact CE1-CB 4.06Å; F72-V121 HydrophobicContact CE1-CG1 3.17Å; F72-V121 HydrophobicContact CE1-CG2 3.73Å; F72-V121 HydrophobicContact CE2-CG1 4.2Å; F72-V121 HydrophobicContact CZ-CB 4.11Å; F72-V121 HydrophobicContact CZ-CG1 3.43Å; F72-V121 VanDerWaalsContact CZ-CG1 3.43Å; F72-V121 HydrophobicContact CZ-CG2 3.47Å; F72-V121 VanDerWaalsContact CZ-CG2 3.47Å
73L97.8Very high97.2Very high76 Ų7667.6 Ų67.640%0.39835%0.353SS..EExtended strand (participates in β ladder)trans-112.2-39.9-171.6-61.8177.8000114V71 F102 M122 M124V71-L73 HydrophobicContact CG1-CD2 3.89Å; L73-F102 HydrophobicContact CD1-CD1 3.58Å; L73-F102 HydrophobicContact CD1-CE1 3.46Å; L73-F102 VanDerWaalsContact CD1-CE1 3.46Å; L73-M122 HydrophobicContact CB-CE 3.84Å; L73-M122 WeakPolarHBondContact CB-O 3.48Å; L73-M122 HydrophobicContact CD1-CE 4Å; L73-M122 PolarHBondContact N-O 2.84Å; L73-M124 HydrophobicContact CD1-CB 4.04Å; L73-M124 HydrophobicContact CG-CB 4.46Å
74Y98Very high97.3Very high123 Ų12366.2 Ų66.248%0.48234%0.34SS..EExtended strand (participates in β ladder)trans-152.7149.3-176.5171.9-95.1000110.6E76 V121 M122Y74-E76 HydrophobicContact CE1-CB 4.08Å; Y74-V121 WeakPolarHBondContact O-CA 3.22Å; Y74-M122 PolarHBondContact N-O 2.71Å; Y74-M122 PolarHBondContact O-N 3.41Å
75Q97.7Very high97.4Very high49 Ų4960.5 Ų60.523%0.22932%0.324CS..EExtended strand (participates in β ladder)trans-146.3138.4175.9-169.8162.831.700111N54 F72 I77 E120 V121N54-Q75 PolarHBondContact ND2-OE1 2.65Å; N54-Q75 VanDerWaalsContact OD1-CD 3.31Å; N54-Q75 PolarHBondContact OD1-NE2 3.17Å; N54-Q75 PolarHBondContact OD1-OE1 2.84Å; F72-Q75 HydrophobicContact CE1-CB 3.96Å; F72-Q75 HydrophobicContact CE1-CG 4.44Å; Q75-I77 HydrophobicContact CG-CB 4.46Å; Q75-I77 HydrophobicContact CG-CD1 4.47Å; Q75-I77 HydrophobicContact CG-CG1 4.21Å; Q75-I77 HydrophobicContact CG-CG2 3.67Å; Q75-E120 WeakPolarHBondContact CA-O 3.37Å; Q75-V121 HydrophobicContact CB-CG2 4.38Å; Q75-V121 HydrophobicContact CG-CG2 3.83Å
76E98.3Very high97.5Very high128 Ų12862.8 Ų62.860%0.59835%0.348SS*.EExtended strand (participates in β ladder)trans-126.5120.4164.1-173.8175.6-177.900108.1Y74 G119 E120Y74-E76 HydrophobicContact CE1-CB 4.08Å; E76-G119 CarbonylContact O-C 3.58Å; E76-G119 VanDerWaalsContact O-CA 3.24Å; E76-G119 WeakPolarHBondContact O-CA 3.47Å; E76-E120 PolarHBondContact N-O 3.22Å; E76-E120 PolarHBondContact O-N 3.15Å
77I98.3Very high97.6Very high48 Ų4863.9 Ų63.925%0.24635%0.353CS..EExtended strand (participates in β ladder)trans-141.1156.9-176.452.1171.9000111.5N54 Q75 F79 V107 M117 E118N54-I77 HydrophobicContact CB-CD1 4.06Å; Q75-I77 HydrophobicContact CG-CB 4.46Å; Q75-I77 HydrophobicContact CG-CD1 4.47Å; Q75-I77 HydrophobicContact CG-CG1 4.21Å; Q75-I77 HydrophobicContact CG-CG2 3.67Å; I77-F79 HydrophobicContact CD1-CE1 4.29Å; I77-F79 HydrophobicContact CD1-CE2 4.13Å; I77-F79 HydrophobicContact CD1-CZ 3.57Å; I77-F79 HydrophobicContact CG1-CE2 4.47Å; I77-F79 HydrophobicContact CG1-CZ 4.35Å; I77-V107 HydrophobicContact CG2-CG2 4.16Å; I77-M117 HydrophobicContact CB-CG 4.34Å; I77-M117 HydrophobicContact CD1-CG 4.42Å; I77-M117 HydrophobicContact CD1-SD 3.99Å; I77-M117 HydrophobicContact CG2-CG 4.45Å; I77-E118 WeakPolarHBondContact CA-O 3.37Å
78R98.4Very high97.7Very high152 Ų15270.1 Ų70.157%0.57438%0.382SS*.EExtended strand (participates in β ladder)trans-130156.4173.549-177.2175.4166.26.9109.7P80 M117 E118R78-P80 WeakPolarHBondContact O-CD 3.44Å; R78-M117 VanDerWaalsContact O-CA 3.31Å; R78-M117 WeakPolarHBondContact O-CA 3.25Å; R78-E118 HydrophobicContact CG-CG 3.63Å; R78-E118 WeakPolarHBondContact CG-O 3.41Å; R78-E118 VanDerWaalsContact CZ-CD 3.4Å; R78-E118 IonicContact CZ-OE1 3.48Å; R78-E118 IonicContact CZ-OE2 2.76Å; R78-E118 PolarHBondContact N-O 3.37Å; R78-E118 IonicContact NE-OE1 3.94Å; R78-E118 PolarHBondContact NE-OE1 3.26Å; R78-E118 IonicContact NE-OE2 3.99Å; R78-E118 IonicContact NH1-OE1 2.89Å; R78-E118 IonicContact NH2-OE1 2.89Å; R78-E118 PolarHBondContact NH2-OE1 2.87Å; R78-E118 IonicContact NH2-OE2 2.99Å; R78-E118 PolarHBondContact NH2-OE2 3.5Å; R78-E118 PolarHBondContact O-N 3.47Å; R78-E118 VanDerWaalsContact O-N 3.08Å
79F98.4Very high97.8Very high92 Ų9265 Ų6540%0.40435%0.348SS..  trans-120.284-179.8-58.6-80.1000110.2G50 I77 A81 V116 M117G50-F79 VanDerWaalsContact C-CE1 3.48Å; G50-F79 WeakPolarHBondContact O-CE1 3.49Å; I77-F79 HydrophobicContact CD1-CE1 4.29Å; I77-F79 HydrophobicContact CD1-CE2 4.13Å; I77-F79 HydrophobicContact CD1-CZ 3.57Å; I77-F79 HydrophobicContact CG1-CE2 4.47Å; I77-F79 HydrophobicContact CG1-CZ 4.35Å; F79-A81 VanDerWaalsContact C-N 3.31Å; F79-A81 PolarHBondContact O-N 2.78Å; F79-V116 WeakPolarHBondContact CA-O 3.45Å; F79-M117 HydrophobicContact CD1-CB 3.98Å; F79-M117 HydrophobicContact CD1-CG 3.87Å; F79-M117 HydrophobicContact CE1-CB 4.12Å; F79-M117 HydrophobicContact CE1-CG 3.63Å; F79-M117 HydrophobicContact CE1-SD 3.84Å; F79-M117 HydrophobicContact CZ-CG 4.43Å; F79-M117 HydrophobicContact CZ-SD 4.48Å
80P98.2Very high98Very high74 Ų7464.8 Ų64.848%0.48133%0.333SS..  trans-70.5-24.3-171.3-20.233.9000114.4R78 V115 E118R78-P80 WeakPolarHBondContact O-CD 3.44Å; P80-V115 HydrophobicContact CG-CG1 4.28Å; P80-E118 HydrophobicContact CG-CG 4.14Å
81A98.3Very high98.1Very high26 Ų2663.6 Ų63.622%0.21532%0.324CS..SBendtrans-147.9152.8-176.900000111.5F79 K114 V115 V116F79-A81 VanDerWaalsContact C-N 3.31Å; F79-A81 PolarHBondContact O-N 2.78Å; A81-K114 HydrophobicContact CB-CB 4.38Å; A81-K114 HydrophobicContact CB-CD 3.99Å; A81-V115 WeakPolarHBondContact CB-O 3.45Å; A81-V116 WeakPolarHBondContact O-CA 3.29Å; A81-V116 WeakPolarHBondContact O-CB 3.36Å
82P98.1Very high98.2Very high42 Ų4263.7 Ų63.727%0.27332%0.32SS..  trans-71.9152.1176.531.2-35.8000111.4F43 I47 F84 K114F43-P82 HydrophobicContact CD1-CB 4.09Å; F43-P82 HydrophobicContact CD1-CG 4.02Å; F43-P82 HydrophobicContact CE1-CB 3.96Å; F43-P82 HydrophobicContact CE1-CG 3.95Å; I47-P82 HydrophobicContact CB-CB 4.32Å; I47-P82 HydrophobicContact CD1-CB 4.26Å; I47-P82 HydrophobicContact CG2-CB 3.84Å; P82-F84 HydrophobicContact CG-CE2 4.23Å; P82-F84 HydrophobicContact CG-CZ 4.43Å; P82-K114 WeakPolarHBondContact O-CE 3.21Å; P82-K114 PolarHBondContact O-NZ 3.23Å
83L98.6Very high98.3Very high1 Ų160.1 Ų60.11%0.00530%0.304CS..  trans-106.7126163.9-17669.3000108.4F13 I47 V48 I53 E87 V89 A111 V116F13-L83 HydrophobicContact CD2-CD2 3.96Å; F13-L83 HydrophobicContact CE2-CD2 4.28Å; I47-L83 CarbonylContact C-O 3.51Å; I47-L83 WeakPolarHBondContact CA-O 3.32Å; V48-L83 HydrophobicContact CB-CB 4.34Å; V48-L83 HydrophobicContact CB-CD2 4.3Å; V48-L83 HydrophobicContact CG2-CB 4.43Å; V48-L83 HydrophobicContact CG2-CD2 4.09Å; V48-L83 HydrophobicContact CG2-CG 4.16Å; V48-L83 PolarHBondContact N-O 3.15Å; I53-L83 HydrophobicContact CD1-CB 3.6Å; I53-L83 HydrophobicContact CD1-CD2 3.9Å; I53-L83 HydrophobicContact CD1-CG 4.42Å; I53-L83 HydrophobicContact CG1-CB 4.48Å; I53-L83 HydrophobicContact CG1-CD2 3.91Å; L83-E87 HydrophobicContact CD1-CB 3.74Å; L83-E87 HydrophobicContact CG-CB 4.46Å; L83-V89 HydrophobicContact CD1-CB 4Å; L83-V89 HydrophobicContact CD2-CB 3.85Å; L83-V89 HydrophobicContact CD2-CG1 3.71Å; L83-V89 HydrophobicContact CD2-CG2 4.38Å; L83-A111 HydrophobicContact CD1-CB 3.49Å; L83-A111 VanDerWaalsContact CD1-CB 3.49Å; L83-V116 HydrophobicContact CB-CB 4.4Å; L83-V116 HydrophobicContact CB-CG1 4.2Å; L83-V116 HydrophobicContact CB-CG2 4.47Å; L83-V116 HydrophobicContact CD1-CG1 4.32Å
84F98.3Very high98.3Very high56 Ų5657.8 Ų57.825%0.24629%0.292CS..BIsolated β-bridgetrans-84.1150.7177.2-68.5-84.8000111.3F43 A45 I47 P82 G86 E87F43-F84 HydrophobicContact CB-CE1 4.41Å; F43-F84 VanDerWaalsContact O-CE1 3.31Å; F43-F84 WeakPolarHBondContact O-CE1 3.24Å; A45-F84 HydrophobicContact CB-CD1 4.19Å; A45-F84 HydrophobicContact CB-CE1 4.29Å; I47-F84 HydrophobicContact CG2-CD1 3.83Å; I47-F84 HydrophobicContact CG2-CE1 3.76Å; I47-F84 HydrophobicContact CG2-CZ 4.39Å; P82-F84 HydrophobicContact CG-CE2 4.23Å; P82-F84 HydrophobicContact CG-CZ 4.43Å; F84-G86 PolarHBondContact O-N 3.04Å; F84-E87 HydrophobicContact CB-CG 3.89Å; F84-E87 PolarHBondContact N-OE2 2.82Å; F84-E87 WeakPolarHBondContact O-CB 3.21Å; F84-E87 PolarHBondContact O-N 3.24Å
85V98.3Very high98.4Very high49 Ų4952 Ų5230%0.29727%0.269SS..THydrogen-bonded Turntrans-58.5132.6174.9-179.50000109.8A15 V18 P46 V48 E87A15-V85 HydrophobicContact CB-CG1 4.26Å; V18-V85 HydrophobicContact CG2-CG2 4Å; P46-V85 HydrophobicContact CB-CG2 4.26Å; P46-V85 PolarHBondContact O-N 3.45Å; V48-V85 HydrophobicContact CG2-CG2 4.25Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.24Å
86G97.7Very high98.4Very high52 Ų5255.7 Ų55.754%0.53628%0.281SS..THydrogen-bonded Turntrans83.1-10-175.400000115.1F13 F84F13-G86 PolarHBondContact O-N 3.5Å; F84-G86 PolarHBondContact O-N 3.04Å
87E97.9Very high98.4Very high29 Ų2955 Ų5514%0.13628%0.276CS..  trans-70.2136.9170.6-71.2-166.9138.600110.9A12 L83 F84 V85 K112 K114A12-E87 WeakPolarHBondContact CA-O 3.47Å; L83-E87 HydrophobicContact CD1-CB 3.74Å; L83-E87 HydrophobicContact CG-CB 4.46Å; F84-E87 HydrophobicContact CB-CG 3.89Å; F84-E87 PolarHBondContact N-OE2 2.82Å; F84-E87 WeakPolarHBondContact O-CB 3.21Å; F84-E87 PolarHBondContact O-N 3.24Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.24Å; E87-K112 IonicContact OE1-NZ 2.85Å; E87-K112 PolarHBondContact OE1-NZ 3.18Å; E87-K114 IonicContact OE1-NZ 3.37Å; E87-K114 IonicContact OE2-NZ 2.99Å; E87-K114 PolarHBondContact OE2-NZ 3.08Å
88E98.4Very high98.4Very high133 Ų13355.4 Ų55.462%0.62128%0.278SS*.EExtended strand (participates in β ladder)trans-76.5131172.4-171.8174.185.100110.3T10 A111T10-E88 HydrophobicContact CG2-CG 3.2Å; T10-E88 WeakPolarHBondContact CG2-OE2 3.47Å; E88-A111 VanDerWaalsContact O-CB 3.25Å; E88-A111 WeakPolarHBondContact O-CB 3.37Å
89V98.6Very high98.3Very high0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-121.6129.7175.762.40000110.1T10 K11 F13 L56 L83 C109 S110 A111 V116T10-V89 WeakPolarHBondContact CA-O 3.46Å; K11-V89 PolarHBondContact N-O 3.5Å; K11-V89 VanDerWaalsContact O-CG1 3.31Å; K11-V89 WeakPolarHBondContact O-CG1 3.42Å; K11-V89 PolarHBondContact O-N 3.47Å; F13-V89 HydrophobicContact CD2-CG1 4.35Å; F13-V89 HydrophobicContact CE2-CG1 4Å; L56-V89 HydrophobicContact CD1-CG1 3.73Å; L83-V89 HydrophobicContact CD1-CB 4Å; L83-V89 HydrophobicContact CD2-CB 3.85Å; L83-V89 HydrophobicContact CD2-CG1 3.71Å; L83-V89 HydrophobicContact CD2-CG2 4.38Å; V89-C109 HydrophobicContact CG2-CB 3.68Å; V89-S110 WeakPolarHBondContact CA-O 3.36Å; V89-A111 HydrophobicContact CB-CB 4.43Å; V89-V116 HydrophobicContact CG2-CG2 3.85Å
90L98.8Very high98Very high57 Ų5756 Ų5630%0.29829%0.289SS..EExtended strand (participates in β ladder)trans-92.4120170.5174.364.1000108.5T10 E92 C109 S110T10-L90 WeakPolarHBondContact OG1-CD1 3.43Å; L90-E92 HydrophobicContact CD1-CG 4.13Å; L90-E92 HydrophobicContact CD2-CG 3.92Å; L90-E92 HydrophobicContact CG-CG 3.66Å; L90-C109 CarbonylContact O-C 3.51Å; L90-C109 VanDerWaalsContact O-CA 3.25Å; L90-C109 WeakPolarHBondContact O-CA 3.48Å; L90-S110 PolarHBondContact N-O 3.32Å; L90-S110 PolarHBondContact O-N 2.9Å
91A98.8Very high97.9Very high0 Ų053.8 Ų53.80%027%0.274CS..EExtended strand (participates in β ladder)trans-106.2118.517900000108.9S8 I9 L56 M57 V60 T108S8-A91 CarbonylContact C-O 3.47Å; S8-A91 WeakPolarHBondContact CA-O 3.31Å; S8-A91 WeakPolarHBondContact CB-O 3.21Å; I9-A91 PolarHBondContact N-O 2.78Å; I9-A91 WeakPolarHBondContact O-CB 3.41Å; I9-A91 PolarHBondContact O-N 3.34Å; L56-A91 HydrophobicContact CB-CB 3.74Å; L56-A91 HydrophobicContact CD1-CB 3.84Å; L56-A91 HydrophobicContact CG-CB 4.39Å; M57-A91 HydrophobicContact CE-CB 3.39Å; V60-A91 HydrophobicContact CG2-CB 4.5Å; A91-T108 CarbonylContact C-O 3.58Å; A91-T108 WeakPolarHBondContact CA-O 3.48Å
92E98.7Very high97.9Very high74 Ų7455.5 Ų55.535%0.34628%0.277SS..EExtended strand (participates in β ladder)trans-123.6146.5-173.2-53.1-169.584.600111.5L90 V107 T108L90-E92 HydrophobicContact CD1-CG 4.13Å; L90-E92 HydrophobicContact CD2-CG 3.92Å; L90-E92 HydrophobicContact CG-CG 3.66Å; E92-V107 WeakPolarHBondContact O-CA 3.31Å; E92-T108 PolarHBondContact N-O 3.21Å; E92-T108 PolarHBondContact O-N 2.99Å
93A98.8Very high97.9Very high1 Ų153.5 Ų53.51%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-133.3133.3176.300000109.7R6 A7 V60 L61 M65 I105 A106 V107R6-A93 CarbonylContact C-O 3.58Å; R6-A93 WeakPolarHBondContact CA-O 3.35Å; A7-A93 PolarHBondContact N-O 2.69Å; A7-A93 PolarHBondContact O-N 2.76Å; V60-A93 HydrophobicContact CG1-CB 3.78Å; L61-A93 HydrophobicContact CD2-CB 4Å; M65-A93 HydrophobicContact CE-CB 3.76Å; A93-I105 HydrophobicContact CB-CG2 3.75Å; A93-A106 CarbonylContact C-O 3.59Å; A93-A106 WeakPolarHBondContact CA-O 3.47Å; A93-V107 HydrophobicContact CB-CG1 4.36Å
94E98.8Very high97.9Very high28 Ų2856.5 Ų56.513%0.13128%0.277CS..EExtended strand (participates in β ladder)trans-129.4125.7176.4-174.9-179.4155.400111Q5 R6 R96 I105 A106Q5-E94 WeakPolarHBondContact O-CA 3.33Å; R6-E94 HydrophobicContact CG-CB 3.92Å; R6-E94 HydrophobicContact CG-CG 3.79Å; R6-E94 IonicContact CZ-OE2 3.25Å; R6-E94 VanDerWaalsContact CZ-OE2 3.25Å; R6-E94 IonicContact NE-OE2 2.93Å; R6-E94 PolarHBondContact NE-OE2 2.93Å; R6-E94 IonicContact NH2-OE1 3.82Å; R6-E94 IonicContact NH2-OE2 2.76Å; R6-E94 PolarHBondContact NH2-OE2 3.45Å; E94-R96 VanDerWaalsContact CD-NH2 3.32Å; E94-R96 PolarHBondContact O-N 3Å; E94-R96 VanDerWaalsContact O-N 3.17Å; E94-R96 IonicContact OE1-CZ 3.36Å; E94-R96 IonicContact OE1-NH1 2.69Å; E94-R96 PolarHBondContact OE1-NH1 2.94Å; E94-R96 IonicContact OE1-NH2 3.65Å; E94-R96 IonicContact OE2-CZ 3.45Å; E94-R96 IonicContact OE2-NH1 3.45Å; E94-R96 PolarHBondContact OE2-NH1 3.48Å; E94-R96 IonicContact OE2-NH2 2.93Å; E94-R96 PolarHBondContact OE2-NH2 3.46Å; E94-I105 CarbonylContact O-C 3.53Å; E94-I105 WeakPolarHBondContact O-CA 3.4Å; E94-A106 PolarHBondContact N-O 3.15Å; E94-A106 PolarHBondContact O-N 2.99Å
95V98.6Very high97.9Very high0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-68.9113.5176.5-176.80000109.8L1 H2 G4 Q5 M65 I98 I105L1-V95 HydrophobicContact CD1-CG2 3.86Å; L1-V95 HydrophobicContact CD2-CG1 4.39Å; L1-V95 HydrophobicContact CD2-CG2 4.12Å; L1-V95 HydrophobicContact CG-CG2 3.98Å; H2-V95 WeakPolarHBondContact O-CB 3.37Å; G4-V95 PolarHBondContact N-O 2.84Å; Q5-V95 HydrophobicContact CB-CG2 4.19Å; Q5-V95 PolarHBondContact O-N 3.22Å; M65-V95 HydrophobicContact CE-CG2 3.99Å; M65-V95 HydrophobicContact SD-CG2 3.52Å; M65-V95 VanDerWaalsContact SD-CG2 3.52Å; V95-I98 HydrophobicContact CG1-CD1 4.07Å; V95-I98 HydrophobicContact CG1-CG1 3.74Å; V95-I105 HydrophobicContact CG2-CG1 4.42Å
96R98.4Very high97.9Very high128 Ų12852.3 Ų52.348%0.48326%0.258SS..EExtended strand (participates in β ladder)trans-89.9-35.8178.1-66-65-178.9-152.4-16.1112.3E94 F104 A106E94-R96 VanDerWaalsContact CD-NH2 3.32Å; E94-R96 PolarHBondContact O-N 3Å; E94-R96 VanDerWaalsContact O-N 3.17Å; E94-R96 IonicContact OE1-CZ 3.36Å; E94-R96 IonicContact OE1-NH1 2.69Å; E94-R96 PolarHBondContact OE1-NH1 2.94Å; E94-R96 IonicContact OE1-NH2 3.65Å; E94-R96 IonicContact OE2-CZ 3.45Å; E94-R96 IonicContact OE2-NH1 3.45Å; E94-R96 PolarHBondContact OE2-NH1 3.48Å; E94-R96 IonicContact OE2-NH2 2.93Å; E94-R96 PolarHBondContact OE2-NH2 3.46Å; R96-F104 PolarHBondContact N-O 3.18Å; R96-A106 HydrophobicContact CG-CB 3.66Å; R96-A106 VanDerWaalsContact NE-CB 3.35Å
97K98Very high98Very high112 Ų11249.9 Ų49.949%0.48723%0.233SC..EExtended strand (participates in β ladder)trans-156.4143.9-174.8-179.8-179.2-178.3177.60110.9A103 F104K97-A103 WeakPolarHBondContact O-CA 3.16Å; K97-F104 HydrophobicContact CB-CB 4.16Å; K97-F104 HydrophobicContact CB-CD2 4.16Å; K97-F104 HydrophobicContact CB-CG 4.49Å; K97-F104 HydrophobicContact CD-CD2 4.17Å; K97-F104 HydrophobicContact CG-CD2 4.16Å; K97-F104 PolarHBondContact N-O 2.86Å; K97-F104 PolarHBondContact O-N 3.11Å
98I97.5Very high98Very high57 Ų5750.6 Ų50.629%0.29224%0.239SC..EExtended strand (participates in β ladder)trans-120.5134.7169.5-59.6175.2000107.5L1 V3 V95 F102 A103 M125L1-I98 HydrophobicContact CB-CD1 4.13Å; L1-I98 HydrophobicContact CD2-CD1 3.96Å; L1-I98 HydrophobicContact CD2-CG1 4.32Å; L1-I98 HydrophobicContact CG-CD1 4Å; V3-I98 HydrophobicContact CG2-CG1 4.42Å; V95-I98 HydrophobicContact CG1-CD1 4.07Å; V95-I98 HydrophobicContact CG1-CG1 3.74Å; I98-F102 WeakPolarHBondContact CA-O 3.38Å; I98-A103 HydrophobicContact CG1-CB 4.5Å; I98-M125 HydrophobicContact CG2-CE 3.76Å; I98-M125 HydrophobicContact CG2-SD 4.03Å
99K96.3Very high98Very high114 Ų11444.2 Ų44.250%0.49621%0.21SC..EExtended strand (participates in β ladder)trans-143.7113.1175.7-173.8-177-179.3-173.70109.1S101 F102 F104K99-S101 PolarHBondContact O-N 3.31Å; K99-F102 PolarHBondContact N-O 3.15Å; K99-F102 PolarHBondContact O-N 3.07Å; K99-F104 HydrophobicContact CB-CE2 4.32Å
100M93.5Very high98Very high144 Ų14445.7 Ų45.771%0.70922%0.22SC*.THydrogen-bonded Turntrans54-127.7-173.7-59.6176.7-101.800109.9F102 M125M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 3.32Å; M100-M125 WeakPolarHBondContact O-CE 3.37Å
101S96.2Very high98Very high26 Ų2643 Ų4318%0.18221%0.206CC..THydrogen-bonded Turntrans-822.8178.950.80000114.6K99 M125 Q130K99-S101 PolarHBondContact O-N 3.31Å; S101-M125 PolarHBondContact O-N 3.32Å; S101-Q130 VanDerWaalsContact CB-CD 3.42Å
102F97.6Very high97.7Very high62 Ų6250.8 Ų50.827%0.27224%0.24SC..EExtended strand (participates in β ladder)trans-108.4140.6-175.1-53.2-74.9000112.8L73 I98 K99 M100 F104 V123 M124L73-F102 HydrophobicContact CD1-CD1 3.58Å; L73-F102 HydrophobicContact CD1-CE1 3.46Å; L73-F102 VanDerWaalsContact CD1-CE1 3.46Å; I98-F102 WeakPolarHBondContact CA-O 3.38Å; K99-F102 PolarHBondContact N-O 3.15Å; K99-F102 PolarHBondContact O-N 3.07Å; M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 3.32Å; F102-F104 HydrophobicContact CB-CE2 4.37Å; F102-V123 VanDerWaalsContact CA-O 3.31Å; F102-V123 WeakPolarHBondContact CA-O 3.44Å; F102-M124 HydrophobicContact CE1-CE 3.96Å; F102-M124 HydrophobicContact CZ-CE 4.46Å
103A98.1Very high97.4Very high0 Ų055.5 Ų55.50%027%0.267CS..EExtended strand (participates in β ladder)trans-115.8135.216900000110.4L1 K97 I98 I105 M122 V123 M125L1-A103 HydrophobicContact CD2-CB 3.56Å; K97-A103 WeakPolarHBondContact O-CA 3.16Å; I98-A103 HydrophobicContact CG1-CB 4.5Å; A103-I105 HydrophobicContact CB-CD1 4.28Å; A103-I105 HydrophobicContact CB-CG1 4.22Å; A103-M122 WeakPolarHBondContact O-CA 3.4Å; A103-V123 HydrophobicContact CB-CG2 3.91Å; A103-V123 PolarHBondContact N-O 2.91Å; A103-V123 PolarHBondContact O-N 2.95Å; A103-M125 HydrophobicContact CB-CG 4Å; A103-M125 HydrophobicContact CB-SD 4.28Å
104F98.5Very high97.4Very high65 Ų6558 Ų5829%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-105.5121.9172.5-58.1-99.9000107.7R96 K97 K99 F102 V121 M122R96-F104 PolarHBondContact N-O 3.18Å; K97-F104 HydrophobicContact CB-CB 4.16Å; K97-F104 HydrophobicContact CB-CD2 4.16Å; K97-F104 HydrophobicContact CB-CG 4.49Å; K97-F104 HydrophobicContact CD-CD2 4.17Å; K97-F104 HydrophobicContact CG-CD2 4.16Å; K97-F104 PolarHBondContact N-O 2.86Å; K97-F104 PolarHBondContact O-N 3.11Å; K99-F104 HydrophobicContact CB-CE2 4.32Å; F102-F104 HydrophobicContact CB-CE2 4.37Å; F104-V121 WeakPolarHBondContact CA-O 3.39Å; F104-M122 HydrophobicContact CD1-CB 4.34Å; F104-M122 HydrophobicContact CD1-CG 4.19Å; F104-M122 HydrophobicContact CE1-CB 4.37Å; F104-M122 HydrophobicContact CE1-CG 3.91Å; F104-M122 HydrophobicContact CE1-SD 3.68Å; F104-M122 HydrophobicContact CZ-CG 4.21Å; F104-M122 HydrophobicContact CZ-SD 3.81Å
105I98.8Very high97.4Very high0 Ų059.2 Ų59.20%029%0.287CS..EExtended strand (participates in β ladder)trans-127.7123-165-59.1178000108L61 M65 P66 A93 E94 V95 A103 V107 E120 V121 V123L61-I105 HydrophobicContact CD2-CD1 3.69Å; L61-I105 HydrophobicContact CD2-CG2 4.2Å; M65-I105 HydrophobicContact CE-CG2 4.43Å; M65-I105 HydrophobicContact SD-CD1 4.11Å; P66-I105 HydrophobicContact CG-CD1 4.24Å; A93-I105 HydrophobicContact CB-CG2 3.75Å; E94-I105 CarbonylContact O-C 3.53Å; E94-I105 WeakPolarHBondContact O-CA 3.4Å; V95-I105 HydrophobicContact CG2-CG1 4.42Å; A103-I105 HydrophobicContact CB-CD1 4.28Å; A103-I105 HydrophobicContact CB-CG1 4.22Å; I105-V107 HydrophobicContact CG2-CG1 4.15Å; I105-E120 CarbonylContact O-C 3.52Å; I105-E120 WeakPolarHBondContact O-CA 3.31Å; I105-V121 PolarHBondContact N-O 3.4Å; I105-V121 PolarHBondContact O-N 3.07Å; I105-V123 HydrophobicContact CD1-CG2 3.8Å
106A98.8Very high97.4Very high17 Ų1759.2 Ų59.214%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-75.8136168.600000108.7A93 E94 R96A93-A106 CarbonylContact C-O 3.59Å; A93-A106 WeakPolarHBondContact CA-O 3.47Å; E94-A106 PolarHBondContact N-O 3.15Å; E94-A106 PolarHBondContact O-N 2.99Å; R96-A106 HydrophobicContact CG-CB 3.66Å; R96-A106 VanDerWaalsContact NE-CB 3.35Å
107V98.8Very high97.4Very high1 Ų153.1 Ų53.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-126.1143.1-177.7-66.30000110.9M57 I77 E92 A93 I105 E118 G119 V121M57-V107 HydrophobicContact CG-CB 4.18Å; M57-V107 HydrophobicContact CG-CG1 4.21Å; M57-V107 HydrophobicContact CG-CG2 4.48Å; M57-V107 HydrophobicContact SD-CB 3.43Å; M57-V107 WeakPolarHBondContact SD-CB 3.25Å; M57-V107 HydrophobicContact SD-CG1 3.36Å; M57-V107 WeakPolarHBondContact SD-CG1 3.31Å; M57-V107 HydrophobicContact SD-CG2 4.33Å; I77-V107 HydrophobicContact CG2-CG2 4.16Å; E92-V107 WeakPolarHBondContact O-CA 3.31Å; A93-V107 HydrophobicContact CB-CG1 4.36Å; I105-V107 HydrophobicContact CG2-CG1 4.15Å; V107-E118 WeakPolarHBondContact O-CA 3.48Å; V107-G119 WeakPolarHBondContact CG2-O 3.38Å; V107-G119 PolarHBondContact N-O 2.74Å; V107-G119 PolarHBondContact O-N 3.21Å; V107-V121 HydrophobicContact CG1-CB 4.37Å; V107-V121 HydrophobicContact CG1-CG2 3.86Å; V107-V121 HydrophobicContact CG2-CG2 3.98Å
108T98.8Very high97.4Very high43 Ų4350.2 Ų50.226%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-147.2139.6177.9-53.70000109.7A91 E92 V115 M117 E118A91-T108 CarbonylContact C-O 3.58Å; A91-T108 WeakPolarHBondContact CA-O 3.48Å; E92-T108 PolarHBondContact N-O 3.21Å; E92-T108 PolarHBondContact O-N 2.99Å; T108-V115 HydrophobicContact CG2-CG1 4Å; T108-V115 HydrophobicContact CG2-CG2 4.3Å; T108-M117 CarbonylContact C-O 3.58Å; T108-M117 WeakPolarHBondContact CA-O 3.46Å; T108-E118 HydrophobicContact CG2-CB 4.43Å
109C98.8Very high97.5Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-117.8124.6165-64.40000108.6I53 V89 L90 V116 M117I53-C109 HydrophobicContact CG2-CB 3.87Å; V89-C109 HydrophobicContact CG2-CB 3.68Å; L90-C109 CarbonylContact O-C 3.51Å; L90-C109 VanDerWaalsContact O-CA 3.25Å; L90-C109 WeakPolarHBondContact O-CA 3.48Å; C109-V116 HydrophobicContact CB-CG2 3.78Å; C109-V116 VanDerWaalsContact O-CG2 3.31Å; C109-V116 WeakPolarHBondContact O-CG2 3.45Å; C109-V116 PolarHBondContact O-N 3.17Å; C109-M117 HydrophobicContact CB-CB 3.95Å; C109-M117 HydrophobicContact CB-CE 4.47Å; C109-M117 PolarHBondContact N-O 3.32Å; C109-M117 PolarHBondContact O-N 2.8Å; C109-M117 WeakPolarHBondContact SG-CE 3.42Å
110S98.6Very high97.6Very high31 Ų3148.4 Ų48.422%0.21725%0.25CS..EExtended strand (participates in β ladder)trans-127.7140.3-178.2-610000110.8V89 L90 K114V89-S110 WeakPolarHBondContact CA-O 3.36Å; L90-S110 PolarHBondContact N-O 3.32Å; L90-S110 PolarHBondContact O-N 2.9Å; S110-K114 CarbonylContact C-O 3.17Å; S110-K114 VanDerWaalsContact CA-O 3.28Å; S110-K114 WeakPolarHBondContact CA-O 3.44Å
111A98.1Very high97.8Very high1 Ų141.7 Ų41.71%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-131.1122.717700000108.3L83 E88 V89 D113 K114 V116L83-A111 HydrophobicContact CD1-CB 3.49Å; L83-A111 VanDerWaalsContact CD1-CB 3.49Å; E88-A111 VanDerWaalsContact O-CB 3.25Å; E88-A111 WeakPolarHBondContact O-CB 3.37Å; V89-A111 HydrophobicContact CB-CB 4.43Å; A111-D113 PolarHBondContact O-N 2.93Å; A111-K114 PolarHBondContact N-O 3.37Å; A111-K114 WeakPolarHBondContact O-CG 3.36Å; A111-K114 PolarHBondContact O-N 2.95Å; A111-K114 VanDerWaalsContact O-N 3.11Å; A111-V116 HydrophobicContact CB-CG1 4.26Å
112K93.1Very high97.9Very high163 Ų16342.6 Ų42.671%0.70922%0.219SC*.THydrogen-bonded Turntrans51.4-121-170.5-56.2167.9-179160.50109.7E87E87-K112 IonicContact OE1-NZ 2.85Å; E87-K112 PolarHBondContact OE1-NZ 3.18Å
113D92.4Very high97.9Very high173 Ų17339.7 Ų39.793%0.92521%0.206SC*.THydrogen-bonded Turntrans-100.113.7-176.2-50.8-52.5000113.8A111A111-D113 PolarHBondContact O-N 2.93Å
114K97.6Very high97.9Very high54 Ų5442.7 Ų42.724%0.23522%0.221CC..EExtended strand (participates in β ladder)trans-121.6145.6-179.358.8173179.4-175.40112.9A81 P82 E87 S110 A111 V116A81-K114 HydrophobicContact CB-CB 4.38Å; A81-K114 HydrophobicContact CB-CD 3.99Å; P82-K114 WeakPolarHBondContact O-CE 3.21Å; P82-K114 PolarHBondContact O-NZ 3.23Å; E87-K114 IonicContact OE1-NZ 3.37Å; E87-K114 IonicContact OE2-NZ 2.99Å; E87-K114 PolarHBondContact OE2-NZ 3.08Å; S110-K114 CarbonylContact C-O 3.17Å; S110-K114 VanDerWaalsContact CA-O 3.28Å; S110-K114 WeakPolarHBondContact CA-O 3.44Å; A111-K114 PolarHBondContact N-O 3.37Å; A111-K114 WeakPolarHBondContact O-CG 3.36Å; A111-K114 PolarHBondContact O-N 2.95Å; A111-K114 VanDerWaalsContact O-N 3.11Å; K114-V116 HydrophobicContact CD-CG1 4.14Å; K114-V116 HydrophobicContact CG-CG1 4.23Å
115V98.6Very high97.8Very high52 Ų5240 Ų4032%0.31521%0.209SC..EExtended strand (participates in β ladder)trans-87.3119.9166.91760000108.4P80 A81 T108 M117 E118P80-V115 HydrophobicContact CG-CG1 4.28Å; A81-V115 WeakPolarHBondContact CB-O 3.45Å; T108-V115 HydrophobicContact CG2-CG1 4Å; T108-V115 HydrophobicContact CG2-CG2 4.3Å; V115-M117 WeakPolarHBondContact CG1-O 3.36Å; V115-E118 HydrophobicContact CG1-CB 3.84Å; V115-E118 HydrophobicContact CG1-CG 3.98Å
116V98.7Very high97.5Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-98.2-22.6179.4-60.30000112.3I53 F79 A81 L83 V89 C109 A111 K114I53-V116 HydrophobicContact CD1-CG2 4.39Å; I53-V116 HydrophobicContact CG2-CG2 4.34Å; F79-V116 WeakPolarHBondContact CA-O 3.45Å; A81-V116 WeakPolarHBondContact O-CA 3.29Å; A81-V116 WeakPolarHBondContact O-CB 3.36Å; L83-V116 HydrophobicContact CB-CB 4.4Å; L83-V116 HydrophobicContact CB-CG1 4.2Å; L83-V116 HydrophobicContact CB-CG2 4.47Å; L83-V116 HydrophobicContact CD1-CG1 4.32Å; V89-V116 HydrophobicContact CG2-CG2 3.85Å; C109-V116 HydrophobicContact CB-CG2 3.78Å; C109-V116 VanDerWaalsContact O-CG2 3.31Å; C109-V116 WeakPolarHBondContact O-CG2 3.45Å; C109-V116 PolarHBondContact O-N 3.17Å; A111-V116 HydrophobicContact CB-CG1 4.26Å; K114-V116 HydrophobicContact CD-CG1 4.14Å; K114-V116 HydrophobicContact CG-CG1 4.23Å
117M98.7Very high97Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-151.5142.4172.5-173.1-168.681.900109.6I53 N54 M57 I77 R78 F79 T108 C109 V115I53-M117 HydrophobicContact CG2-CB 4.38Å; I53-M117 HydrophobicContact CG2-SD 4.46Å; N54-M117 HydrophobicContact CB-SD 3.85Å; M57-M117 HydrophobicContact CG-CE 3.62Å; M57-M117 HydrophobicContact SD-CE 4.39Å; I77-M117 HydrophobicContact CB-CG 4.34Å; I77-M117 HydrophobicContact CD1-CG 4.42Å; I77-M117 HydrophobicContact CD1-SD 3.99Å; I77-M117 HydrophobicContact CG2-CG 4.45Å; R78-M117 VanDerWaalsContact O-CA 3.31Å; R78-M117 WeakPolarHBondContact O-CA 3.25Å; F79-M117 HydrophobicContact CD1-CB 3.98Å; F79-M117 HydrophobicContact CD1-CG 3.87Å; F79-M117 HydrophobicContact CE1-CB 4.12Å; F79-M117 HydrophobicContact CE1-CG 3.63Å; F79-M117 HydrophobicContact CE1-SD 3.84Å; F79-M117 HydrophobicContact CZ-CG 4.43Å; F79-M117 HydrophobicContact CZ-SD 4.48Å; T108-M117 CarbonylContact C-O 3.58Å; T108-M117 WeakPolarHBondContact CA-O 3.46Å; C109-M117 HydrophobicContact CB-CB 3.95Å; C109-M117 HydrophobicContact CB-CE 4.47Å; C109-M117 PolarHBondContact N-O 3.32Å; C109-M117 PolarHBondContact O-N 2.8Å; C109-M117 WeakPolarHBondContact SG-CE 3.42Å; V115-M117 WeakPolarHBondContact CG1-O 3.36Å
118E98.8Very high96.3Very high52 Ų5255.5 Ų55.524%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-152.6156.7171.857.2173.6158.200110.6I77 R78 P80 V107 T108 V115I77-E118 WeakPolarHBondContact CA-O 3.37Å; R78-E118 HydrophobicContact CG-CG 3.63Å; R78-E118 WeakPolarHBondContact CG-O 3.41Å; R78-E118 VanDerWaalsContact CZ-CD 3.4Å; R78-E118 IonicContact CZ-OE1 3.48Å; R78-E118 IonicContact CZ-OE2 2.76Å; R78-E118 PolarHBondContact N-O 3.37Å; R78-E118 IonicContact NE-OE1 3.94Å; R78-E118 PolarHBondContact NE-OE1 3.26Å; R78-E118 IonicContact NE-OE2 3.99Å; R78-E118 IonicContact NH1-OE1 2.89Å; R78-E118 IonicContact NH2-OE1 2.89Å; R78-E118 PolarHBondContact NH2-OE1 2.87Å; R78-E118 IonicContact NH2-OE2 2.99Å; R78-E118 PolarHBondContact NH2-OE2 3.5Å; R78-E118 PolarHBondContact O-N 3.47Å; R78-E118 VanDerWaalsContact O-N 3.08Å; P80-E118 HydrophobicContact CG-CG 4.14Å; V107-E118 WeakPolarHBondContact O-CA 3.48Å; T108-E118 HydrophobicContact CG2-CB 4.43Å; V115-E118 HydrophobicContact CG1-CB 3.84Å; V115-E118 HydrophobicContact CG1-CG 3.98Å
119G98.5Very high95.5Very high21 Ų2155.9 Ų55.922%0.21628%0.276CS..EExtended strand (participates in β ladder)trans161.5-152.3175.300000113.2E76 V107E76-G119 CarbonylContact O-C 3.58Å; E76-G119 VanDerWaalsContact O-CA 3.24Å; E76-G119 WeakPolarHBondContact O-CA 3.47Å; V107-G119 WeakPolarHBondContact CG2-O 3.38Å; V107-G119 PolarHBondContact N-O 2.74Å; V107-G119 PolarHBondContact O-N 3.21Å
120E98.4Very high94.5Very high112 Ų11259.2 Ų59.252%0.52329%0.292SS..EExtended strand (participates in β ladder)trans-134149.1-177.7-61.2-168.1155.600111.8Q75 E76 I105Q75-E120 WeakPolarHBondContact CA-O 3.37Å; E76-E120 PolarHBondContact N-O 3.22Å; E76-E120 PolarHBondContact O-N 3.15Å; I105-E120 CarbonylContact O-C 3.52Å; I105-E120 WeakPolarHBondContact O-CA 3.31Å
121V98.5Very high92.9Very high2 Ų265.9 Ų65.91%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-128.7139.1178.8171.10000109.4L61 F72 Y74 Q75 F104 I105 V107 V123L61-V121 HydrophobicContact CD1-CB 4.24Å; L61-V121 HydrophobicContact CD1-CG1 3.65Å; L61-V121 HydrophobicContact CD1-CG2 4.41Å; F72-V121 HydrophobicContact CD1-CG1 3.8Å; F72-V121 HydrophobicContact CE1-CB 4.06Å; F72-V121 HydrophobicContact CE1-CG1 3.17Å; F72-V121 HydrophobicContact CE1-CG2 3.73Å; F72-V121 HydrophobicContact CE2-CG1 4.2Å; F72-V121 HydrophobicContact CZ-CB 4.11Å; F72-V121 HydrophobicContact CZ-CG1 3.43Å; F72-V121 VanDerWaalsContact CZ-CG1 3.43Å; F72-V121 HydrophobicContact CZ-CG2 3.47Å; F72-V121 VanDerWaalsContact CZ-CG2 3.47Å; Y74-V121 WeakPolarHBondContact O-CA 3.22Å; Q75-V121 HydrophobicContact CB-CG2 4.38Å; Q75-V121 HydrophobicContact CG-CG2 3.83Å; F104-V121 WeakPolarHBondContact CA-O 3.39Å; I105-V121 PolarHBondContact N-O 3.4Å; I105-V121 PolarHBondContact O-N 3.07Å; V107-V121 HydrophobicContact CG1-CB 4.37Å; V107-V121 HydrophobicContact CG1-CG2 3.86Å; V107-V121 HydrophobicContact CG2-CG2 3.98Å; V121-V123 HydrophobicContact CG1-CG1 3.58Å
122M98.4Very high91Very high46 Ų4675.6 Ų75.623%0.22736%0.364CS..EExtended strand (participates in β ladder)trans-107.1128.5164-171-178.668.800109.8L73 Y74 A103 F104L73-M122 HydrophobicContact CB-CE 3.84Å; L73-M122 WeakPolarHBondContact CB-O 3.48Å; L73-M122 HydrophobicContact CD1-CE 4Å; L73-M122 PolarHBondContact N-O 2.84Å; Y74-M122 PolarHBondContact N-O 2.71Å; Y74-M122 PolarHBondContact O-N 3.41Å; A103-M122 WeakPolarHBondContact O-CA 3.4Å; F104-M122 HydrophobicContact CD1-CB 4.34Å; F104-M122 HydrophobicContact CD1-CG 4.19Å; F104-M122 HydrophobicContact CE1-CB 4.37Å; F104-M122 HydrophobicContact CE1-CG 3.91Å; F104-M122 HydrophobicContact CE1-SD 3.68Å; F104-M122 HydrophobicContact CZ-CG 4.21Å; F104-M122 HydrophobicContact CZ-SD 3.81Å
123V98.3Very high90.9Very high0 Ų071.2 Ų71.20%035%0.347CS..EExtended strand (participates in β ladder)trans-124.8152.8174.9-58.80000111.6L61 P66 C70 V71 F102 A103 I105 V121L61-V123 HydrophobicContact CD1-CG1 3.92Å; P66-V123 HydrophobicContact CG-CG2 3.77Å; C70-V123 VanDerWaalsContact SG-CB 3.52Å; V71-V123 CarbonylContact O-C 3.56Å; V71-V123 WeakPolarHBondContact O-CA 3.24Å; V71-V123 WeakPolarHBondContact O-CB 3.45Å; F102-V123 VanDerWaalsContact CA-O 3.31Å; F102-V123 WeakPolarHBondContact CA-O 3.44Å; A103-V123 HydrophobicContact CB-CG2 3.91Å; A103-V123 PolarHBondContact N-O 2.91Å; A103-V123 PolarHBondContact O-N 2.95Å; I105-V123 HydrophobicContact CD1-CG2 3.8Å; V121-V123 HydrophobicContact CG1-CG1 3.58Å
124M97.8Very high90.8Very high63 Ų6365.8 Ų65.831%0.3132%0.317SS..EExtended strand (participates in β ladder)trans-83.3127.1159.1-165.6176.9-70.300108.8C70 V71 L73 F102C70-M124 WeakPolarHBondContact CA-O 3.36Å; V71-M124 HydrophobicContact CB-CB 4.05Å; V71-M124 PolarHBondContact N-O 2.92Å; V71-M124 PolarHBondContact O-N 3.3Å; L73-M124 HydrophobicContact CD1-CB 4.04Å; L73-M124 HydrophobicContact CG-CB 4.46Å; F102-M124 HydrophobicContact CE1-CE 3.96Å; F102-M124 HydrophobicContact CZ-CE 4.46Å
125M96.3Very high90.4Very high8 Ų866.5 Ų66.54%0.03932%0.321CS..PPolyproline II helixtrans-68.8153.2176.7-59.9-175.4-65.400110.7L1 I98 M100 S101 A103 Q129 Q130L1-M125 HydrophobicContact CB-SD 4.09Å; L1-M125 HydrophobicContact CD2-CG 3.96Å; L1-M125 HydrophobicContact CD2-SD 3.48Å; L1-M125 WeakPolarHBondContact CD2-SD 3.09Å; L1-M125 HydrophobicContact CG-SD 4.41Å; I98-M125 HydrophobicContact CG2-CE 3.76Å; I98-M125 HydrophobicContact CG2-SD 4.03Å; M100-M125 WeakPolarHBondContact O-CE 3.37Å; S101-M125 PolarHBondContact O-N 3.32Å; A103-M125 HydrophobicContact CB-CG 4Å; A103-M125 HydrophobicContact CB-SD 4.28Å; M125-Q129 HydrophobicContact CB-CB 4.35Å; M125-Q130 HydrophobicContact CB-CG 4.28Å; M125-Q130 PolarHBondContact O-NE2 2.65Å
126P92.5Very high89.9Confident13 Ų1367.4 Ų67.48%0.08432%0.322CS..PPolyproline II helixtrans-54.1142.9170.7-22.731000111.7P66 P68 C70 K128 Q129 Q130P66-P126 HydrophobicContact CB-CG 4.3Å; P68-P126 WeakPolarHBondContact O-CB 3.39Å; P68-P126 VanDerWaalsContact O-CG 3.31Å; P68-P126 WeakPolarHBondContact O-CG 3.24Å; C70-P126 HydrophobicContact CB-CG 4.41Å; P126-K128 PolarHBondContact O-N 2.93Å; P126-Q129 WeakPolarHBondContact O-CA 3.42Å; P126-Q129 WeakPolarHBondContact O-CB 3.31Å; P126-Q129 PolarHBondContact O-N 2.67Å; P126-Q130 PolarHBondContact O-N 3.08Å
127E88.3Confident89.4Confident150 Ų15071.6 Ų71.670%0.70134%0.342SS*.G310 helixtrans-49.3-41.1-175-67.6-177.7170.300113.9Q129 Q130E127-Q129 PolarHBondContact O-N 3.23Å; E127-Q130 WeakPolarHBondContact O-CB 3.43Å; E127-Q130 PolarHBondContact O-N 2.98Å; E127-Q130 VanDerWaalsContact O-N 3.07Å
128K84.4Confident88.8Confident182 Ų18276.3 Ų76.379%0.79136%0.364SS*.G310 helixtrans-60.2-31.2178.5-65.8-175.2179.8-178.60113.3P126P126-K128 PolarHBondContact O-N 2.93Å
129Q80.5Confident88.1Confident50 Ų5078.1 Ų78.123%0.23437%0.373CS..G310 helixtrans-89.4-3.7-179.9-61.6179.34.500112.7P66 M125 P126 E127P66-Q129 PolarHBondContact O-NE2 3.01Å; M125-Q129 HydrophobicContact CB-CB 4.35Å; P126-Q129 WeakPolarHBondContact O-CA 3.42Å; P126-Q129 WeakPolarHBondContact O-CB 3.31Å; P126-Q129 PolarHBondContact O-N 2.67Å; E127-Q129 PolarHBondContact O-N 3.23Å
130Q77.8Confident87.3Confident71 Ų7182.5 Ų82.533%0.33239%0.385SS..THydrogen-bonded Turntrans-89.1-16.5176.7-57.3177.818.600112.7S101 M125 P126 E127S101-Q130 VanDerWaalsContact CB-CD 3.42Å; M125-Q130 HydrophobicContact CB-CG 4.28Å; M125-Q130 PolarHBondContact O-NE2 2.65Å; P126-Q130 PolarHBondContact O-N 3.08Å; E127-Q130 WeakPolarHBondContact O-CB 3.43Å; E127-Q130 PolarHBondContact O-N 2.98Å; E127-Q130 VanDerWaalsContact O-N 3.07Å
131Q65.8Low86.3Confident170 Ų17080 Ų8079%0.79437%0.374SS*.  trans-98.4-0.6-175.4-60.8176.918.600112.8
132E57.6Low85.2Confident205 Ų20587.1 Ų87.196%0.95841%0.406SS*.  trans-98.20176.1-63.8178.4162.700110.6

Retrieved 132 of 132 residues in 100.8 ms (Link to these results)

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