Q15ET1_SCHMA Loading...

D-aminoacyl-tRNA deacylase

AlphaFold DB , UniProt , Accession Q15ET1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 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
1M97.5Very high98.6Very high2 Ų235.6 Ų35.61%0.0116%0.159CC..  0136.80-172.3178.9-66.100107.9L33 D37 D41 M42 I45 Y84 L110 S148M1-L33 HydrophobicContact CE-CD2 3.64Å; M1-L33 HydrophobicContact CG-CD2 3.95Å; M1-L33 HydrophobicContact SD-CD2 4.04Å; M1-D37 VanDerWaalsContact CA-OD1 3.26Å; M1-D37 WeakPolarHBondContact CA-OD1 3.49Å; M1-D37 WeakPolarHBondContact CA-OD2 3.47Å; M1-D37 VanDerWaalsContact CB-OD2 3.23Å; M1-D37 WeakPolarHBondContact CB-OD2 3.49Å; M1-D37 HydrophobicContact CE-CB 4.49Å; M1-D37 VanDerWaalsContact N-CG 3.33Å; M1-D37 PolarHBondContact N-OD1 3.22Å; M1-D37 PolarHBondContact N-OD2 3.36Å; M1-D41 HydrophobicContact CB-CB 3.99Å; M1-M42 HydrophobicContact CE-CB 3.71Å; M1-M42 HydrophobicContact CE-CG 4.09Å; M1-I45 HydrophobicContact CB-CG1 3.84Å; M1-I45 HydrophobicContact CG-CB 4.45Å; M1-I45 HydrophobicContact CG-CG1 3.77Å; M1-I45 HydrophobicContact SD-CB 3.76Å; M1-I45 HydrophobicContact SD-CG1 3.71Å; M1-I45 HydrophobicContact SD-CG2 3.99Å; M1-Y84 WeakPolarHBondContact CA-OH 3.48Å; M1-Y84 PolarHBondContact N-OH 2.91Å; M1-L110 HydrophobicContact CE-CD1 4.11Å; M1-L110 HydrophobicContact SD-CD1 3.37Å; M1-L110 WeakPolarHBondContact SD-CD1 3.33Å; M1-S148 PolarHBondContact N-OG 2.76Å; M1-S148 PolarHBondContact O-N 2.91Å; M1-S148 PolarHBondContact O-OG 2.98Å
2R98.1Very high98.6Very high67 Ų6734.4 Ų34.425%0.25316%0.158SC..EExtended strand (participates in β ladder)trans-120.7146.4-178.5-78.7174.2-178175.32.1111.5G32 L83 Y84 L146 D147R2-G32 PolarHBondContact N-O 2.74Å; R2-G32 PolarHBondContact O-N 2.91Å; R2-L83 HydrophobicContact CB-CB 4.33Å; R2-L83 HydrophobicContact CB-CD1 4.41Å; R2-L83 WeakPolarHBondContact CD-O 3.43Å; R2-L83 PolarHBondContact NH1-O 3.47Å; R2-Y84 HydrophobicContact CB-CE2 4.08Å; R2-Y84 HydrophobicContact CG-CE1 4.14Å; R2-Y84 HydrophobicContact CG-CE2 4.25Å; R2-Y84 PolarHBondContact N-OH 2.87Å; R2-L146 CarbonylContact C-O 3.58Å; R2-L146 VanDerWaalsContact CA-O 3.29Å; R2-L146 WeakPolarHBondContact CA-O 3.44Å; R2-D147 HydrophobicContact CG-CB 4.26Å; R2-D147 WeakPolarHBondContact CG-OD2 3.27Å; R2-D147 IonicContact CZ-OD2 3.9Å; R2-D147 IonicContact NE-OD2 3.13Å; R2-D147 PolarHBondContact NE-OD2 2.66Å; R2-D147 IonicContact NH2-OD2 3.33Å; R2-D147 PolarHBondContact NH2-OD2 2.99Å
3A98.6Very high98.6Very high0 Ų031.8 Ų31.80%015%0.146CC..EExtended strand (participates in β ladder)trans-138.4139169.200000111.4V5 V29 L30 I45 T145 L146A3-V5 HydrophobicContact CB-CG2 4.43Å; A3-V29 HydrophobicContact CB-CG1 3.95Å; A3-L30 CarbonylContact C-O 3.5Å; A3-L30 WeakPolarHBondContact CA-O 3.25Å; A3-I45 HydrophobicContact CB-CG2 4.35Å; A3-T145 CarbonylContact O-C 3.52Å; A3-T145 WeakPolarHBondContact O-CA 3.23Å; A3-L146 HydrophobicContact CB-CB 4.3Å; A3-L146 HydrophobicContact CB-CD1 4.48Å; A3-L146 PolarHBondContact N-O 3.34Å; A3-L146 PolarHBondContact O-N 3.29Å
4V98.7Very high98.6Very high24 Ų2430.6 Ų30.615%0.14514%0.144CC..EExtended strand (participates in β ladder)trans-105.2112.2164.9176.80000107.4Q6 V29 L30 L83 T143V4-Q6 HydrophobicContact CG1-CG 4.35Å; V4-V29 WeakPolarHBondContact O-CA 3.39Å; V4-L30 HydrophobicContact CB-CB 4.29Å; V4-L30 PolarHBondContact N-O 2.86Å; V4-L30 PolarHBondContact O-N 3.06Å; V4-L83 HydrophobicContact CG2-CD1 4.07Å; V4-L83 HydrophobicContact CG2-CD2 3.61Å; V4-T143 HydrophobicContact CG1-CG2 3.68Å
5V98.8Very high98.5Very high0 Ų030.3 Ų30.30%014%0.144CC..EExtended strand (participates in β ladder)trans-102.4122.4-176.9-174.60000109A3 I27 V29 I49 L54 T143 I144 L146A3-V5 HydrophobicContact CB-CG2 4.43Å; V5-I27 HydrophobicContact CG1-CB 4.08Å; V5-I27 HydrophobicContact CG1-CD1 4.09Å; V5-I27 HydrophobicContact CG1-CG2 4.21Å; V5-V29 HydrophobicContact CG1-CG2 4.42Å; V5-V29 HydrophobicContact CG2-CG1 4.3Å; V5-V29 HydrophobicContact CG2-CG2 4.45Å; V5-I49 HydrophobicContact CG2-CG1 4.45Å; V5-L54 HydrophobicContact CG1-CD1 3.66Å; V5-T143 CarbonylContact O-C 3.56Å; V5-T143 WeakPolarHBondContact O-CA 3.37Å; V5-I144 PolarHBondContact N-O 2.95Å; V5-I144 PolarHBondContact O-N 3.32Å; V5-L146 HydrophobicContact CG2-CD1 3.76Å; V5-L146 HydrophobicContact CG2-CG 4.29Å
6Q98.9Very high98.3Very high33 Ų3337.3 Ų37.315%0.15418%0.183CC..EExtended strand (participates in β ladder)trans-117.9130.4178.9-64-177.390.300109.9V4 V8 I27 L28 L136 N138 V142 T143V4-Q6 HydrophobicContact CG1-CG 4.35Å; Q6-V8 HydrophobicContact CB-CG1 4.49Å; Q6-I27 CarbonylContact O-C 3.56Å; Q6-I27 WeakPolarHBondContact O-CA 3.33Å; Q6-L28 HydrophobicContact CB-CB 4.48Å; Q6-L28 PolarHBondContact N-O 3.11Å; Q6-L28 PolarHBondContact O-N 2.77Å; Q6-L136 HydrophobicContact CB-CD1 4.43Å; Q6-N138 PolarHBondContact OE1-ND2 3.49Å; Q6-V142 WeakPolarHBondContact CA-O 3.4Å; Q6-T143 HydrophobicContact CG-CG2 3.95Å
7R98.8Very high98Very high30 Ų3044 Ų4411%0.11322%0.22CC..EExtended strand (participates in β ladder)trans-74.7132171.8-167.3174.867.5-179.36.6109L54 F55 N138 D139 V142R7-L54 VanDerWaalsContact CD-O 3.24Å; R7-L54 WeakPolarHBondContact CD-O 3.4Å; R7-L54 PolarHBondContact NH1-O 3.41Å; R7-F55 HydrophobicContact CG-CD1 4.05Å; R7-F55 HydrophobicContact CG-CE1 3.45Å; R7-F55 VanDerWaalsContact CG-CE1 3.45Å; R7-F55 HydrophobicContact CG-CZ 3.85Å; R7-N138 WeakPolarHBondContact O-CA 3.49Å; R7-N138 PolarHBondContact O-OD1 3.16Å; R7-D139 HydrophobicContact CG-CB 4.13Å; R7-D139 IonicContact CZ-OD2 2.8Å; R7-D139 PolarHBondContact NE-O 3.12Å; R7-D139 IonicContact NE-OD2 3.84Å; R7-D139 PolarHBondContact NE-OD2 3.28Å; R7-D139 PolarHBondContact NH2-O 3.09Å; R7-D139 PolarHBondContact O-N 3.46Å; R7-V142 HydrophobicContact CB-CB 3.9Å; R7-V142 HydrophobicContact CB-CG1 4.45Å; R7-V142 PolarHBondContact N-O 3.38Å
8V98.9Very high97.9Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-131.7145.7-175.1-60.60000112.7Q6 A11 I23 G26 L28 L136 I137Q6-V8 HydrophobicContact CB-CG1 4.49Å; V8-A11 HydrophobicContact CB-CB 4.42Å; V8-A11 HydrophobicContact CG1-CB 4.35Å; V8-A11 HydrophobicContact CG2-CB 4.07Å; V8-I23 HydrophobicContact CG2-CD1 3.76Å; V8-I23 HydrophobicContact CG2-CG1 4.49Å; V8-G26 WeakPolarHBondContact CG2-O 3.43Å; V8-G26 PolarHBondContact N-O 3.21Å; V8-G26 PolarHBondContact O-N 2.75Å; V8-L28 HydrophobicContact CG1-CB 3.98Å; V8-L136 HydrophobicContact CG1-CB 4.03Å; V8-L136 HydrophobicContact CG1-CD1 3.97Å; V8-I137 VanDerWaalsContact CA-O 3.3Å; V8-I137 WeakPolarHBondContact CA-O 3.43Å
9K98.7Very high97.9Very high123 Ų12348.6 Ų48.654%0.53525%0.251SS..EExtended strand (participates in β ladder)trans-76-34.7164.6-65.3-172.8178.6174.80111.1G24 R25 I137 D139K9-G24 CarbonylContact O-C 3.57Å; K9-R25 WeakPolarHBondContact O-CA 3.31Å; K9-R25 PolarHBondContact O-N 3.23Å; K9-R25 VanDerWaalsContact O-N 3.11Å; K9-I137 HydrophobicContact CB-CB 4.25Å; K9-I137 HydrophobicContact CB-CG2 4.14Å; K9-I137 HydrophobicContact CD-CG2 4.11Å; K9-I137 HydrophobicContact CG-CG2 4.31Å; K9-I137 PolarHBondContact N-O 3.14Å; K9-D139 VanDerWaalsContact CE-OD1 3.25Å; K9-D139 WeakPolarHBondContact CE-OD1 3.48Å; K9-D139 HydrophobicContact CG-CB 3.85Å
10Q98.7Very high97.9Very high109 Ų10949.5 Ų49.551%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-160.2154.1173.264.7-172.63000109.4I23 G24 L136 I137Q10-I23 WeakPolarHBondContact CA-O 3.44Å; Q10-G24 WeakPolarHBondContact CA-O 3.47Å; Q10-L136 WeakPolarHBondContact O-CA 3.35Å; Q10-I137 HydrophobicContact CG-CB 4.18Å; Q10-I137 HydrophobicContact CG-CD1 3.8Å; Q10-I137 HydrophobicContact CG-CG1 3.83Å; Q10-I137 VanDerWaalsContact NE2-CD1 3.32Å; Q10-I137 PolarHBondContact O-N 2.49Å
11A98.8Very high97.9Very high4 Ų447.8 Ų47.83%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-151.7153170.200000111.3V8 Q22 I23 L28 L76 S135 L136V8-A11 HydrophobicContact CB-CB 4.42Å; V8-A11 HydrophobicContact CG1-CB 4.35Å; V8-A11 HydrophobicContact CG2-CB 4.07Å; A11-Q22 CarbonylContact O-C 3.52Å; A11-Q22 WeakPolarHBondContact O-CA 3.41Å; A11-I23 HydrophobicContact CB-CD1 4.24Å; A11-I23 HydrophobicContact CB-CG1 3.92Å; A11-I23 PolarHBondContact N-O 3.25Å; A11-I23 VanDerWaalsContact N-O 3.1Å; A11-I23 PolarHBondContact O-N 2.89Å; A11-L28 HydrophobicContact CB-CB 4.35Å; A11-L76 HydrophobicContact CB-CD2 3.8Å; A11-S135 CarbonylContact C-O 3.59Å; A11-S135 WeakPolarHBondContact CA-O 3.46Å; A11-S135 WeakPolarHBondContact CB-O 3.5Å; A11-L136 HydrophobicContact CB-CB 4Å
12S98.7Very high98Very high21 Ų2153.8 Ų53.815%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-147.1159178.860.10000112.1S21 V134 S135S12-S21 CarbonylContact C-O 3.53Å; S12-S21 VanDerWaalsContact CA-O 3.27Å; S12-S21 WeakPolarHBondContact CA-O 3.45Å; S12-S21 WeakPolarHBondContact CB-O 3.36Å; S12-V134 CarbonylContact O-C 3.53Å; S12-V134 WeakPolarHBondContact O-CA 3.24Å; S12-S135 PolarHBondContact N-O 2.9Å; S12-S135 PolarHBondContact O-N 3.37Å
13V98.6Very high98Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-119.5131.8171.3-179.40000108.1V20 S21 L76 V78 M132 D133 V134V13-V20 HydrophobicContact CB-CG2 3.99Å; V13-V20 HydrophobicContact CG1-CG2 3.73Å; V13-V20 WeakPolarHBondContact O-CG2 3.46Å; V13-V20 PolarHBondContact O-N 3.26Å; V13-S21 PolarHBondContact N-O 3.42Å; V13-S21 PolarHBondContact O-N 3.27Å; V13-L76 HydrophobicContact CG2-CD1 4.04Å; V13-L76 HydrophobicContact CG2-CD2 4.02Å; V13-L76 HydrophobicContact CG2-CG 4.31Å; V13-V78 HydrophobicContact CG2-CG2 3.79Å; V13-M132 HydrophobicContact CG1-CB 3.86Å; V13-M132 HydrophobicContact CG1-CG 3.68Å; V13-M132 HydrophobicContact CG1-SD 3.61Å; V13-D133 WeakPolarHBondContact CA-O 3.48Å; V13-V134 HydrophobicContact CG2-CG2 4.41Å
14S98.3Very high98Very high16 Ų1652.5 Ų52.511%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-118.6147.2171.3-59.30000111.4S18 M132 D133S14-S18 CarbonylContact C-O 3.45Å; S14-S18 WeakPolarHBondContact CA-O 3.22Å; S14-M132 WeakPolarHBondContact O-CA 3.31Å; S14-D133 PolarHBondContact N-O 3.32Å; S14-D133 PolarHBondContact O-N 3.3Å
15V97.5Very high98Very high25 Ų2556.8 Ų56.815%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-131.5126170.91770000107.4D17 S18 V20 I127 A130 M132V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.39Å; V15-S18 PolarHBondContact N-O 2.99Å; V15-S18 PolarHBondContact O-N 3.15Å; V15-S18 VanDerWaalsContact O-N 3.14Å; V15-V20 HydrophobicContact CB-CG1 4.06Å; V15-V20 HydrophobicContact CG2-CG1 4.19Å; V15-V20 HydrophobicContact CG2-CG2 4.21Å; V15-I127 HydrophobicContact CG2-CB 4.49Å; V15-I127 HydrophobicContact CG2-CD1 4.06Å; V15-A130 HydrophobicContact CG1-CB 4.47Å; V15-A130 HydrophobicContact CG2-CB 4.11Å; V15-M132 HydrophobicContact CG2-CG 3.86Å
16N95.2Very high98Very high143 Ų14356.8 Ų56.877%0.76530%0.298SS*.THydrogen-bonded Turntrans49.853.9-174.2-54.6-37.1000111.7S18N16-S18 PolarHBondContact O-N 2.62Å; N16-S18 PolarHBondContact O-OG 3.26Å
17D93.2Very high98Very high151 Ų15155.2 Ų55.281%0.80729%0.291SS*.THydrogen-bonded Turntrans60.34.9-179.2-57.2-53.4000116.3V15V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.39Å
18S97Very high98Very high75 Ų7553.9 Ų53.952%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-104.5125.6179.6-60.40000110.7S14 V15 N16 V20S14-S18 CarbonylContact C-O 3.45Å; S14-S18 WeakPolarHBondContact CA-O 3.22Å; V15-S18 PolarHBondContact N-O 2.99Å; V15-S18 PolarHBondContact O-N 3.15Å; V15-S18 VanDerWaalsContact O-N 3.14Å; N16-S18 PolarHBondContact O-N 2.62Å; N16-S18 PolarHBondContact O-OG 3.26Å; S18-V20 PolarHBondContact O-N 2.96Å
19I97.8Very high98Very high101 Ų10153.9 Ų53.952%0.51829%0.286SS..EExtended strand (participates in β ladder)trans-66.5117.1175.3-62.8173.7000108.9Q22I19-Q22 HydrophobicContact CG2-CB 4.27Å
20V97.9Very high98Very high65 Ų6549.5 Ų49.539%0.39427%0.268SS..EExtended strand (participates in β ladder)trans-97.8-20.8178.3-60.30000112V13 V15 S18 I127V13-V20 HydrophobicContact CB-CG2 3.99Å; V13-V20 HydrophobicContact CG1-CG2 3.73Å; V13-V20 WeakPolarHBondContact O-CG2 3.46Å; V13-V20 PolarHBondContact O-N 3.26Å; V15-V20 HydrophobicContact CB-CG1 4.06Å; V15-V20 HydrophobicContact CG2-CG1 4.19Å; V15-V20 HydrophobicContact CG2-CG2 4.21Å; S18-V20 PolarHBondContact O-N 2.96Å; V20-I127 HydrophobicContact CB-CD1 4Å; V20-I127 HydrophobicContact CB-CG1 4.43Å; V20-I127 HydrophobicContact CG1-CD1 3.78Å; V20-I127 HydrophobicContact CG2-CD1 4.05Å; V20-I127 HydrophobicContact CG2-CG1 4.06Å
21S98.1Very high98Very high15 Ų1544.4 Ų44.411%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-160144.1-175.5-1650000111.2S12 V13 L76 K124 D125S12-S21 CarbonylContact C-O 3.53Å; S12-S21 VanDerWaalsContact CA-O 3.27Å; S12-S21 WeakPolarHBondContact CA-O 3.45Å; S12-S21 WeakPolarHBondContact CB-O 3.36Å; V13-S21 PolarHBondContact N-O 3.42Å; V13-S21 PolarHBondContact O-N 3.27Å; S21-L76 WeakPolarHBondContact OG-CD1 3.45Å; S21-K124 WeakPolarHBondContact OG-CB 3.29Å; S21-D125 WeakPolarHBondContact CB-O 3.21Å; S21-D125 PolarHBondContact OG-O 2.82Å
22Q98.5Very high98Very high128 Ų12844.2 Ų44.260%0.59824%0.242SC*.EExtended strand (participates in β ladder)trans-155.1153178.463.1-179.9-6.700112.2A11 I19A11-Q22 CarbonylContact O-C 3.52Å; A11-Q22 WeakPolarHBondContact O-CA 3.41Å; I19-Q22 HydrophobicContact CG2-CB 4.27Å
23I98.8Very high98Very high9 Ų943.7 Ų43.75%0.04624%0.238CC..EExtended strand (participates in β ladder)trans-134.5150.4173.361.5163.7000110.4V8 Q10 A11 I27 E74 L76 K124V8-I23 HydrophobicContact CG2-CD1 3.76Å; V8-I23 HydrophobicContact CG2-CG1 4.49Å; Q10-I23 WeakPolarHBondContact CA-O 3.44Å; A11-I23 HydrophobicContact CB-CD1 4.24Å; A11-I23 HydrophobicContact CB-CG1 3.92Å; A11-I23 PolarHBondContact N-O 3.25Å; A11-I23 VanDerWaalsContact N-O 3.1Å; A11-I23 PolarHBondContact O-N 2.89Å; I23-I27 WeakPolarHBondContact CD1-O 3.35Å; I23-E74 WeakPolarHBondContact CA-OE2 3.21Å; I23-E74 HydrophobicContact CB-CB 3.66Å; I23-E74 HydrophobicContact CD1-CB 4.46Å; I23-E74 HydrophobicContact CG2-CB 3.68Å; I23-L76 HydrophobicContact CD1-CB 3.6Å; I23-L76 HydrophobicContact CG1-CB 3.83Å; I23-L76 HydrophobicContact CG1-CD2 4.35Å; I23-L76 HydrophobicContact CG2-CB 3.93Å; I23-K124 HydrophobicContact CG2-CB 3.88Å; I23-K124 HydrophobicContact CG2-CG 3.46Å; I23-K124 VanDerWaalsContact CG2-CG 3.46Å
24G98.7Very high97.9Very high30 Ų3044.1 Ų44.131%0.30924%0.241SC..SBendtrans-79.4-136.616300000111.1K9 Q10 G26 E74K9-G24 CarbonylContact O-C 3.57Å; Q10-G24 WeakPolarHBondContact CA-O 3.47Å; G24-G26 PolarHBondContact O-N 2.84Å; G24-E74 PolarHBondContact N-OE2 3.08Å
25R98.5Very high97.8Very high114 Ų11449.7 Ų49.743%0.4326%0.26SS..SBendtrans-63.4130.4-179.5-171.9-176.8-178.4-156.71.2110.4K9 L73 E74K9-R25 WeakPolarHBondContact O-CA 3.31Å; K9-R25 PolarHBondContact O-N 3.23Å; K9-R25 VanDerWaalsContact O-N 3.11Å; R25-L73 HydrophobicContact CB-CD2 4.13Å; R25-L73 HydrophobicContact CG-CD1 4.17Å; R25-L73 HydrophobicContact CG-CD2 4.09Å; R25-L73 WeakPolarHBondContact O-CB 3.43Å; R25-E74 PolarHBondContact O-N 2.74Å
26G98.8Very high97.7Very high0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans171.3-148.8-171.700000114.7V8 G24 F55 E74V8-G26 WeakPolarHBondContact CG2-O 3.43Å; V8-G26 PolarHBondContact N-O 3.21Å; V8-G26 PolarHBondContact O-N 2.75Å; G24-G26 PolarHBondContact O-N 2.84Å; G26-F55 WeakPolarHBondContact O-CZ 3.4Å; G26-E74 CarbonylContact C-O 3.43Å; G26-E74 WeakPolarHBondContact CA-O 3.45Å
27I98.9Very high97.8Very high1 Ų150.8 Ų50.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-128138.9174.259.7176.8000111.2V5 Q6 I23 V29 I49 L54 F55 V68 E74 I75 L76V5-I27 HydrophobicContact CG1-CB 4.08Å; V5-I27 HydrophobicContact CG1-CD1 4.09Å; V5-I27 HydrophobicContact CG1-CG2 4.21Å; Q6-I27 CarbonylContact O-C 3.56Å; Q6-I27 WeakPolarHBondContact O-CA 3.33Å; I23-I27 WeakPolarHBondContact CD1-O 3.35Å; I27-V29 HydrophobicContact CD1-CG2 3.95Å; I27-V29 HydrophobicContact CG1-CG2 4.09Å; I27-I49 HydrophobicContact CD1-CG2 3.79Å; I27-L54 HydrophobicContact CG2-CD1 4.04Å; I27-F55 HydrophobicContact CG2-CE2 4.08Å; I27-F55 HydrophobicContact CG2-CZ 3.93Å; I27-V68 HydrophobicContact CD1-CB 4.13Å; I27-V68 HydrophobicContact CD1-CG1 3.97Å; I27-V68 HydrophobicContact CD1-CG2 4.4Å; I27-V68 HydrophobicContact CG1-CB 4.36Å; I27-V68 HydrophobicContact CG1-CG2 4.14Å; I27-E74 PolarHBondContact N-O 3.38Å; I27-I75 HydrophobicContact CD1-CD1 4.41Å; I27-I75 HydrophobicContact CD1-CG1 4.08Å; I27-I75 HydrophobicContact CD1-CG2 4.36Å; I27-I75 HydrophobicContact CG1-CB 4.28Å; I27-I75 HydrophobicContact CG1-CG1 3.89Å; I27-I75 HydrophobicContact CG1-CG2 4.11Å; I27-I75 WeakPolarHBondContact O-CA 3.44Å; I27-L76 PolarHBondContact O-N 3.06Å
28L98.9Very high97.9Very high2 Ų247.2 Ų47.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-95.7129.9164171.267.5000108.2Q6 V8 A11 L76 V78 V134 L136Q6-L28 HydrophobicContact CB-CB 4.48Å; Q6-L28 PolarHBondContact N-O 3.11Å; Q6-L28 PolarHBondContact O-N 2.77Å; V8-L28 HydrophobicContact CG1-CB 3.98Å; A11-L28 HydrophobicContact CB-CB 4.35Å; L28-L76 CarbonylContact C-O 3.48Å; L28-L76 WeakPolarHBondContact CA-O 3.49Å; L28-L76 HydrophobicContact CD1-CB 4.19Å; L28-L76 HydrophobicContact CD1-CD2 3.95Å; L28-L76 HydrophobicContact CD1-CG 3.88Å; L28-V78 HydrophobicContact CD1-CG2 3.95Å; L28-V134 HydrophobicContact CD1-CG1 4.04Å; L28-V134 HydrophobicContact CD2-CG1 3.78Å; L28-L136 HydrophobicContact CD2-CB 4.24Å; L28-L136 HydrophobicContact CD2-CD1 4.12Å; L28-L136 HydrophobicContact CD2-CD2 4.01Å; L28-L136 HydrophobicContact CD2-CG 4.35Å
29V98.9Very high97.9Very high0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-122.2110.6-178.3-171.80000109.3A3 V4 V5 I27 I31 I49 I75 L76 C77 V78A3-V29 HydrophobicContact CB-CG1 3.95Å; V4-V29 WeakPolarHBondContact O-CA 3.39Å; V5-V29 HydrophobicContact CG1-CG2 4.42Å; V5-V29 HydrophobicContact CG2-CG1 4.3Å; V5-V29 HydrophobicContact CG2-CG2 4.45Å; I27-V29 HydrophobicContact CD1-CG2 3.95Å; I27-V29 HydrophobicContact CG1-CG2 4.09Å; V29-I31 HydrophobicContact CB-CG1 4.35Å; V29-I31 HydrophobicContact CG1-CD1 3.98Å; V29-I31 HydrophobicContact CG1-CG1 3.53Å; V29-I49 HydrophobicContact CG1-CD1 3.74Å; V29-I49 HydrophobicContact CG1-CG1 4.27Å; V29-I49 HydrophobicContact CG2-CG2 4.21Å; V29-I75 HydrophobicContact CG2-CG2 4.02Å; V29-L76 PolarHBondContact N-O 3Å; V29-C77 WeakPolarHBondContact O-CA 3.45Å; V29-V78 PolarHBondContact O-N 3.11Å
30L98.8Very high97.9Very high30 Ų3047.3 Ų47.316%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-84.8123167.3-56.3-178.5000108.4A3 V4 V78 Q80 L83A3-L30 CarbonylContact C-O 3.5Å; A3-L30 WeakPolarHBondContact CA-O 3.25Å; V4-L30 HydrophobicContact CB-CB 4.29Å; V4-L30 PolarHBondContact N-O 2.86Å; V4-L30 PolarHBondContact O-N 3.06Å; L30-V78 CarbonylContact C-O 3.56Å; L30-V78 WeakPolarHBondContact CA-O 3.3Å; L30-V78 HydrophobicContact CD2-CB 3.94Å; L30-V78 HydrophobicContact CD2-CG1 4.38Å; L30-Q80 HydrophobicContact CB-CB 3.83Å; L30-Q80 HydrophobicContact CB-CG 4.12Å; L30-Q80 HydrophobicContact CD1-CG 4.37Å; L30-L83 HydrophobicContact CB-CD1 4.34Å; L30-L83 WeakPolarHBondContact O-CD1 3.24Å
31I98.6Very high97.9Very high2 Ų245.1 Ų45.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-116.9118.7-170.7-57.2178.4000110.5V29 L33 C77 V78 Q80 Y107 L110V29-I31 HydrophobicContact CB-CG1 4.35Å; V29-I31 HydrophobicContact CG1-CD1 3.98Å; V29-I31 HydrophobicContact CG1-CG1 3.53Å; I31-L33 HydrophobicContact CG2-CD2 4.18Å; I31-C77 HydrophobicContact CD1-CB 4.02Å; I31-V78 PolarHBondContact N-O 3.3Å; I31-Q80 PolarHBondContact O-N 2.79Å; I31-Y107 HydrophobicContact CB-CE2 4.14Å; I31-Y107 HydrophobicContact CD1-CE2 4.18Å; I31-Y107 HydrophobicContact CG2-CD2 4.45Å; I31-L110 HydrophobicContact CD1-CD1 4.43Å; I31-L110 HydrophobicContact CD1-CD2 3.49Å; I31-L110 VanDerWaalsContact CD1-CD2 3.49Å; I31-L110 HydrophobicContact CG2-CD1 4.04Å
32G98.2Very high97.9Very high0 Ų044.6 Ų44.60%022%0.217CC..EExtended strand (participates in β ladder)trans-104.3136.317400000110.2R2 Q80 Y84R2-G32 PolarHBondContact N-O 2.74Å; R2-G32 PolarHBondContact O-N 2.91Å; G32-Q80 WeakPolarHBondContact CA-O 3.41Å; G32-Y84 VanDerWaalsContact C-CE2 3.47Å; G32-Y84 WeakPolarHBondContact O-CE2 3.45Å
33L98.2Very high97.8Very high10 Ų1042.2 Ų42.25%0.05221%0.206CC..  trans-111.1132.7175.7-57179.6000109.8M1 I31 D37 Y84 A97 M98 S103 I106M1-L33 HydrophobicContact CE-CD2 3.64Å; M1-L33 HydrophobicContact CG-CD2 3.95Å; M1-L33 HydrophobicContact SD-CD2 4.04Å; I31-L33 HydrophobicContact CG2-CD2 4.18Å; L33-D37 WeakPolarHBondContact CA-OD2 3.48Å; L33-Y84 WeakPolarHBondContact O-CD2 3.41Å; L33-A97 WeakPolarHBondContact O-CA 3.19Å; L33-M98 HydrophobicContact CB-CB 3.94Å; L33-M98 HydrophobicContact CB-CE 4.31Å; L33-M98 HydrophobicContact CB-SD 4.29Å; L33-M98 HydrophobicContact CD1-SD 4.37Å; L33-M98 PolarHBondContact O-N 3.43Å; L33-S103 WeakPolarHBondContact CD1-O 3.36Å; L33-I106 HydrophobicContact CD1-CB 4.01Å; L33-I106 HydrophobicContact CD1-CG2 3.9Å; L33-I106 HydrophobicContact CD2-CG2 4.18Å
34S97.2Very high97.8Very high9 Ų944.8 Ų44.86%0.06322%0.216CC..BIsolated β-bridgetrans-96.2150.3174-173.30000111.5R36 D37 N96 M98S34-R36 PolarHBondContact O-N 3.21Å; S34-R36 PolarHBondContact OG-N 3.05Å; S34-D37 WeakPolarHBondContact CB-OD1 3.39Å; S34-D37 VanDerWaalsContact N-CG 3.32Å; S34-D37 PolarHBondContact N-OD2 3.4Å; S34-D37 WeakPolarHBondContact O-CB 3.32Å; S34-D37 PolarHBondContact O-N 2.9Å; S34-N96 VanDerWaalsContact CA-O 3.24Å; S34-N96 WeakPolarHBondContact CA-O 3.08Å; S34-N96 WeakPolarHBondContact CB-O 3.38Å; S34-N96 PolarHBondContact OG-O 3.26Å; S34-M98 WeakPolarHBondContact O-CE 3.43Å
35R95.9Very high97.8Very high134 Ų13443.4 Ų43.451%0.50620%0.201SC..THydrogen-bonded Turntrans-56.4-15.316867.8-178.1175.4167.4-2.6114.5H95 N96R35-H95 WeakPolarHBondContact CD-O 3.47Å; R35-H95 PolarHBondContact NE-O 2.94Å; R35-N96 PolarHBondContact N-O 3.14Å; R35-N96 VanDerWaalsContact N-O 3.15Å; R35-N96 PolarHBondContact NE-OD1 2.67Å; R35-N96 PolarHBondContact NH2-OD1 2.92Å
36R95.3Very high97.8Very high163 Ų16338 Ų3862%0.61518%0.181SC*.THydrogen-bonded Turntrans-101.60.9178.9-61-175.1-179.6168.30.9113.7S34 T38S34-R36 PolarHBondContact O-N 3.21Å; S34-R36 PolarHBondContact OG-N 3.05Å; R36-T38 PolarHBondContact O-N 3.35Å
37D96.7Very high97.8Very high28 Ų2844.4 Ų44.415%0.1521%0.205CC..  trans-66.4136.4-177.7-72.3-10.3000111M1 L33 S34 M98M1-D37 VanDerWaalsContact CA-OD1 3.26Å; M1-D37 WeakPolarHBondContact CA-OD1 3.49Å; M1-D37 WeakPolarHBondContact CA-OD2 3.47Å; M1-D37 VanDerWaalsContact CB-OD2 3.23Å; M1-D37 WeakPolarHBondContact CB-OD2 3.49Å; M1-D37 HydrophobicContact CE-CB 4.49Å; M1-D37 VanDerWaalsContact N-CG 3.33Å; M1-D37 PolarHBondContact N-OD1 3.22Å; M1-D37 PolarHBondContact N-OD2 3.36Å; L33-D37 WeakPolarHBondContact CA-OD2 3.48Å; S34-D37 WeakPolarHBondContact CB-OD1 3.39Å; S34-D37 VanDerWaalsContact N-CG 3.32Å; S34-D37 PolarHBondContact N-OD2 3.4Å; S34-D37 WeakPolarHBondContact O-CB 3.32Å; S34-D37 PolarHBondContact O-N 2.9Å; D37-M98 HydrophobicContact CB-CE 4.11Å
38T96.5Very high97.7Very high75 Ų7548 Ų4846%0.4622%0.22SC..  trans-111.5172.9175.370.30000110.4R36 S40 D41 M42R36-T38 PolarHBondContact O-N 3.35Å; T38-S40 PolarHBondContact O-N 2.9Å; T38-S40 PolarHBondContact OG1-N 3.09Å; T38-S40 PolarHBondContact OG1-OG 2.92Å; T38-D41 WeakPolarHBondContact CA-OD2 3.14Å; T38-D41 WeakPolarHBondContact CB-OD2 3.48Å; T38-D41 PolarHBondContact N-OD2 3.32Å; T38-D41 WeakPolarHBondContact O-CB 3.48Å; T38-D41 PolarHBondContact O-N 3.44Å; T38-D41 VanDerWaalsContact O-N 3.13Å; T38-D41 PolarHBondContact OG1-OD2 2.95Å; T38-M42 PolarHBondContact O-N 3.31Å
39E96.6Very high97.7Very high96 Ų9647.9 Ų47.945%0.44922%0.22SC..Hα-helixtrans-58.1-34.3172.6-178.167.2159.200112.9D41 M42 E43 R113E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 3.47Å; E39-M42 WeakPolarHBondContact O-CB 3.48Å; E39-M42 PolarHBondContact O-N 2.7Å; E39-E43 PolarHBondContact O-N 3.5Å; E39-E43 VanDerWaalsContact O-N 3.08Å; E39-R113 IonicContact OE1-CZ 3.98Å; E39-R113 IonicContact OE1-NH1 3.53Å; E39-R113 PolarHBondContact OE1-NH1 2.8Å; E39-R113 IonicContact OE1-NH2 3.84Å; E39-R113 PolarHBondContact OE1-NH2 2.88Å; E39-R113 IonicContact OE2-CZ 2.9Å; E39-R113 IonicContact OE2-NH1 3.17Å; E39-R113 PolarHBondContact OE2-NH1 2.77Å
40S97.1Very high97.7Very high83 Ų8348.1 Ų48.158%0.5822%0.221SC*.Hα-helixtrans-65.9-33.9178.375.20000112.5T38 Y44T38-S40 PolarHBondContact O-N 2.9Å; T38-S40 PolarHBondContact OG1-N 3.09Å; T38-S40 PolarHBondContact OG1-OG 2.92Å; S40-Y44 WeakPolarHBondContact O-CB 3Å; S40-Y44 PolarHBondContact O-N 3.33Å
41D98Very high97.7Very high19 Ų1950 Ų5010%0.10223%0.231CC..Hα-helixtrans-66.2-41.3175.5-63.8-78.9000111.2M1 T38 E39 Y44 I45 S148M1-D41 HydrophobicContact CB-CB 3.99Å; T38-D41 WeakPolarHBondContact CA-OD2 3.14Å; T38-D41 WeakPolarHBondContact CB-OD2 3.48Å; T38-D41 PolarHBondContact N-OD2 3.32Å; T38-D41 WeakPolarHBondContact O-CB 3.48Å; T38-D41 PolarHBondContact O-N 3.44Å; T38-D41 VanDerWaalsContact O-N 3.13Å; T38-D41 PolarHBondContact OG1-OD2 2.95Å; E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 3.47Å; D41-Y44 PolarHBondContact O-N 2.9Å; D41-I45 WeakPolarHBondContact O-CG1 3.45Å; D41-I45 PolarHBondContact O-N 2.85Å; D41-S148 VanDerWaalsContact CB-OG 3.3Å; D41-S148 WeakPolarHBondContact CB-OG 3.43Å; D41-S148 VanDerWaalsContact CG-OG 3.3Å; D41-S148 WeakPolarHBondContact OD1-CB 3.05Å; D41-S148 PolarHBondContact OD1-OG 3.39Å
42M98.1Very high97.7Very high3 Ų351.5 Ų51.52%0.01524%0.239CC..Hα-helixtrans-62.9-49.7176.8-169.1-170.3-5600111.2M1 T38 E39 Y44 I45 V46 I106 Q109 L110 R113M1-M42 HydrophobicContact CE-CB 3.71Å; M1-M42 HydrophobicContact CE-CG 4.09Å; T38-M42 PolarHBondContact O-N 3.31Å; E39-M42 WeakPolarHBondContact O-CB 3.48Å; E39-M42 PolarHBondContact O-N 2.7Å; M42-Y44 VanDerWaalsContact C-N 3.27Å; M42-Y44 PolarHBondContact O-N 3.03Å; M42-I45 PolarHBondContact O-N 3.35Å; M42-V46 HydrophobicContact CG-CG2 4.44Å; M42-V46 WeakPolarHBondContact O-CG2 3.4Å; M42-V46 PolarHBondContact O-N 2.86Å; M42-I106 HydrophobicContact CE-CG2 3.84Å; M42-Q109 HydrophobicContact CE-CB 3.91Å; M42-Q109 HydrophobicContact SD-CB 4.17Å; M42-L110 HydrophobicContact CG-CB 4Å; M42-L110 HydrophobicContact CG-CD1 4.16Å; M42-L110 HydrophobicContact CG-CG 4.15Å; M42-L110 HydrophobicContact SD-CB 4.01Å; M42-R113 PolarHBondContact SD-NH1 2.99Å
43E97.6Very high97.7Very high78 Ų7858 Ų5836%0.36426%0.264SS..Hα-helixtrans-59.7-39.3177.8-72.5-68.7-174.900111.9E39 R47 R113E39-E43 PolarHBondContact O-N 3.5Å; E39-E43 VanDerWaalsContact O-N 3.08Å; E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R113 VanDerWaalsContact CD-NE 3.35Å; E43-R113 IonicContact OE1-CZ 2.67Å; E43-R113 IonicContact OE1-NE 2.92Å; E43-R113 PolarHBondContact OE1-NE 3.35Å; E43-R113 IonicContact OE1-NH1 3.84Å; E43-R113 IonicContact OE1-NH2 3.09Å; E43-R113 PolarHBondContact OE1-NH2 2.98Å; E43-R113 WeakPolarHBondContact OE2-CD 3.5Å; E43-R113 IonicContact OE2-NE 2.62Å
44Y98Very high97.7Very high64 Ų6457.8 Ų57.825%0.25126%0.263SS..Hα-helixtrans-60.4-50.8174.2176.4-89.5000111.9S40 D41 M42 R47 K48 D147S40-Y44 WeakPolarHBondContact O-CB 3Å; S40-Y44 PolarHBondContact O-N 3.33Å; D41-Y44 PolarHBondContact O-N 2.9Å; M42-Y44 VanDerWaalsContact C-N 3.27Å; M42-Y44 PolarHBondContact O-N 3.03Å; Y44-R47 PolarHBondContact O-N 2.76Å; Y44-K48 HydrophobicContact CD1-CG 4.18Å; Y44-K48 HydrophobicContact CE1-CG 3.82Å; Y44-K48 HydrophobicContact CE2-CG 4.21Å; Y44-K48 VanDerWaalsContact CZ-CE 3.5Å; Y44-K48 WeakPolarHBondContact O-CB 3.25Å; Y44-K48 WeakPolarHBondContact O-CG 3.42Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 VanDerWaalsContact OH-CE 3.31Å; Y44-K48 WeakPolarHBondContact OH-CE 3.27Å; Y44-D147 WeakPolarHBondContact CE1-O 3.45Å
45I98.4Very high97.7Very high0 Ų057.3 Ų57.30%026%0.26CS..Hα-helixtrans-65.1-45.6-177.8-70.9-64.1000111.4M1 A3 D41 M42 R47 K48 I49 L110 L146M1-I45 HydrophobicContact CB-CG1 3.84Å; M1-I45 HydrophobicContact CG-CB 4.45Å; M1-I45 HydrophobicContact CG-CG1 3.77Å; M1-I45 HydrophobicContact SD-CB 3.76Å; M1-I45 HydrophobicContact SD-CG1 3.71Å; M1-I45 HydrophobicContact SD-CG2 3.99Å; A3-I45 HydrophobicContact CB-CG2 4.35Å; D41-I45 WeakPolarHBondContact O-CG1 3.45Å; D41-I45 PolarHBondContact O-N 2.85Å; M42-I45 PolarHBondContact O-N 3.35Å; I45-R47 PolarHBondContact O-N 2.92Å; I45-K48 PolarHBondContact O-N 2.91Å; I45-K48 VanDerWaalsContact O-N 3.17Å; I45-I49 HydrophobicContact CG2-CD1 3.57Å; I45-I49 HydrophobicContact CG2-CG1 4.24Å; I45-I49 WeakPolarHBondContact O-CG1 3.47Å; I45-I49 PolarHBondContact O-N 2.75Å; I45-L110 HydrophobicContact CG2-CD1 4.35Å; I45-L146 HydrophobicContact CD1-CB 3.88Å
46V98.6Very high97.8Very high2 Ų252.9 Ų52.91%0.01225%0.248CC..Hα-helixtrans-56.8-49.9176.3169.30000110.8M42 K48 I49 L50 L110 R113 L114M42-V46 HydrophobicContact CG-CG2 4.44Å; M42-V46 WeakPolarHBondContact O-CG2 3.4Å; M42-V46 PolarHBondContact O-N 2.86Å; V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 PolarHBondContact O-N 3.37Å; V46-I49 PolarHBondContact O-N 3.1Å; V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 WeakPolarHBondContact O-CG 3.46Å; V46-L50 PolarHBondContact O-N 2.84Å; V46-L50 VanDerWaalsContact O-N 3.08Å; V46-L110 HydrophobicContact CG2-CG 4.13Å; V46-R113 HydrophobicContact CB-CG 4.46Å; V46-R113 HydrophobicContact CG1-CG 4.14Å; V46-R113 HydrophobicContact CG2-CB 4.24Å; V46-R113 HydrophobicContact CG2-CG 4.01Å; V46-L114 HydrophobicContact CB-CD2 4.45Å; V46-L114 HydrophobicContact CG1-CD2 3.98Å; V46-L114 HydrophobicContact CG1-CG 4.42Å; V46-L114 HydrophobicContact CG2-CD2 4.39Å; V46-L114 HydrophobicContact CG2-CG 4.22Å
47R98.4Very high97.9Very high134 Ų13445.4 Ų45.451%0.50622%0.221SC..Hα-helixtrans-61.2-39.3178.7-178.9174.854.787.81.7111.9E43 Y44 I45 N51E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 2.99Å; Y44-R47 PolarHBondContact O-N 2.76Å; I45-R47 PolarHBondContact O-N 2.92Å; R47-N51 WeakPolarHBondContact O-CB 3.16Å; R47-N51 PolarHBondContact O-N 3.2Å; R47-N51 PolarHBondContact O-ND2 2.96Å
48K98.5Very high97.7Very high75 Ų7551.6 Ų51.633%0.32625%0.253SS..Hα-helixtrans-67.8-46.6177.6-74.4-69.7-172.3172.90111.8Y44 I45 V46 L50 N51 I52 L146Y44-K48 HydrophobicContact CD1-CG 4.18Å; Y44-K48 HydrophobicContact CE1-CG 3.82Å; Y44-K48 HydrophobicContact CE2-CG 4.21Å; Y44-K48 VanDerWaalsContact CZ-CE 3.5Å; Y44-K48 WeakPolarHBondContact O-CB 3.25Å; Y44-K48 WeakPolarHBondContact O-CG 3.42Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 VanDerWaalsContact OH-CE 3.31Å; Y44-K48 WeakPolarHBondContact OH-CE 3.27Å; I45-K48 PolarHBondContact O-N 2.91Å; I45-K48 VanDerWaalsContact O-N 3.17Å; V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 PolarHBondContact O-N 3.37Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 2.91Å; K48-N51 PolarHBondContact O-N 2.88Å; K48-I52 VanDerWaalsContact O-CB 3.22Å; K48-I52 WeakPolarHBondContact O-CB 3.39Å; K48-I52 VanDerWaalsContact O-CG2 3.3Å; K48-I52 WeakPolarHBondContact O-CG2 3.37Å; K48-I52 PolarHBondContact O-N 3.03Å; K48-L146 HydrophobicContact CB-CD1 3.74Å; K48-L146 HydrophobicContact CB-CD2 4.27Å
49I98.7Very high97.6Very high0 Ų053 Ų530%026%0.257CS..Hα-helixtrans-55.9-47177.4-71.5167.7000111V5 I27 V29 I45 V46 N51 I75 L114 L146V5-I49 HydrophobicContact CG2-CG1 4.45Å; I27-I49 HydrophobicContact CD1-CG2 3.79Å; V29-I49 HydrophobicContact CG1-CD1 3.74Å; V29-I49 HydrophobicContact CG1-CG1 4.27Å; V29-I49 HydrophobicContact CG2-CG2 4.21Å; I45-I49 HydrophobicContact CG2-CD1 3.57Å; I45-I49 HydrophobicContact CG2-CG1 4.24Å; I45-I49 WeakPolarHBondContact O-CG1 3.47Å; I45-I49 PolarHBondContact O-N 2.75Å; V46-I49 PolarHBondContact O-N 3.1Å; I49-N51 PolarHBondContact O-N 2.86Å; I49-I75 HydrophobicContact CG2-CD1 4.2Å; I49-L114 HydrophobicContact CB-CD2 4.25Å; I49-L114 HydrophobicContact CG2-CD2 3.88Å; I49-L146 HydrophobicContact CG1-CD1 4.26Å
50L98.7Very high97.4Very high5 Ų550.6 Ų50.63%0.02626%0.259CS..Hα-helixtrans-74.5-23.8-175-66.3-178.6000114.4V46 K48 S67 I75 L114 N117 Y118V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 WeakPolarHBondContact O-CG 3.46Å; V46-L50 PolarHBondContact O-N 2.84Å; V46-L50 VanDerWaalsContact O-N 3.08Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 2.91Å; L50-S67 WeakPolarHBondContact O-CB 3.18Å; L50-S67 PolarHBondContact O-OG 3.36Å; L50-I75 HydrophobicContact CD2-CD1 3.6Å; L50-L114 HydrophobicContact CD1-CD2 4.4Å; L50-L114 HydrophobicContact CD2-CD2 3.86Å; L50-L114 HydrophobicContact CG-CD2 3.91Å; L50-N117 HydrophobicContact CD1-CB 3.66Å; L50-Y118 HydrophobicContact CD2-CD1 4.01Å; L50-Y118 HydrophobicContact CD2-CG 3.98Å
51N98.6Very high97.2Very high70 Ų7053 Ų5337%0.37426%0.264SS..Hα-helixtrans-119.6-3.6-170.9-58.1-72.4000114R47 K48 I49 R53 K69R47-N51 WeakPolarHBondContact O-CB 3.16Å; R47-N51 PolarHBondContact O-N 3.2Å; R47-N51 PolarHBondContact O-ND2 2.96Å; K48-N51 PolarHBondContact O-N 2.88Å; I49-N51 PolarHBondContact O-N 2.86Å; N51-R53 PolarHBondContact O-N 2.86Å; N51-K69 WeakPolarHBondContact OD1-CE 3.5Å; N51-K69 PolarHBondContact OD1-NZ 2.94Å
52I98.2Very high97.1Very high34 Ų3458.4 Ų58.417%0.17428%0.283CS..  trans-63.9128.5174.7-170.9170.3000110.1K48 L54 S67 I144 L146K48-I52 VanDerWaalsContact O-CB 3.22Å; K48-I52 WeakPolarHBondContact O-CB 3.39Å; K48-I52 VanDerWaalsContact O-CG2 3.3Å; K48-I52 WeakPolarHBondContact O-CG2 3.37Å; K48-I52 PolarHBondContact O-N 3.03Å; I52-L54 HydrophobicContact CB-CG 4.43Å; I52-L54 HydrophobicContact CD1-CD1 4.48Å; I52-L54 HydrophobicContact CD1-CD2 3.79Å; I52-L54 HydrophobicContact CD1-CG 4.26Å; I52-L54 HydrophobicContact CG1-CD1 4.5Å; I52-L54 HydrophobicContact CG1-CD2 3.79Å; I52-L54 HydrophobicContact CG1-CG 3.94Å; I52-L54 HydrophobicContact CG2-CD1 3.77Å; I52-L54 HydrophobicContact CG2-CG 3.9Å; I52-L54 PolarHBondContact O-N 2.92Å; I52-S67 VanDerWaalsContact O-CA 3.24Å; I52-S67 WeakPolarHBondContact O-CA 3.5Å; I52-S67 WeakPolarHBondContact O-CB 3.24Å; I52-I144 HydrophobicContact CD1-CB 4.09Å; I52-I144 HydrophobicContact CD1-CG1 4.13Å; I52-I144 HydrophobicContact CD1-CG2 3.73Å; I52-L146 HydrophobicContact CD1-CD2 4.38Å
53R98.4Very high97Very high136 Ų13667.7 Ų67.751%0.51332%0.318SS..  trans-88.585.3-173.9-65.4178178.4-120.75.4110.9N51 D65 K66N51-R53 PolarHBondContact O-N 2.86Å; R53-D65 WeakPolarHBondContact CD-O 3.43Å; R53-D65 VanDerWaalsContact CG-O 3.32Å; R53-D65 WeakPolarHBondContact CG-O 3.41Å; R53-D65 PolarHBondContact NH1-O 3.14Å; R53-D65 IonicContact NH1-OD1 3.89Å; R53-D65 PolarHBondContact NH1-OD1 2.94Å; R53-D65 VanDerWaalsContact NH1-OD1 3.14Å; R53-K66 CarbonylContact C-O 3.58Å; R53-K66 WeakPolarHBondContact CA-O 3.24Å
54L98.2Very high97Very high5 Ų571.4 Ų71.43%0.02633%0.329CS..  trans-100.3-11.9-175.5-61.3178000113.8V5 R7 I27 I52 K66 V142 I144V5-L54 HydrophobicContact CG1-CD1 3.66Å; R7-L54 VanDerWaalsContact CD-O 3.24Å; R7-L54 WeakPolarHBondContact CD-O 3.4Å; R7-L54 PolarHBondContact NH1-O 3.41Å; I27-L54 HydrophobicContact CG2-CD1 4.04Å; I52-L54 HydrophobicContact CB-CG 4.43Å; I52-L54 HydrophobicContact CD1-CD1 4.48Å; I52-L54 HydrophobicContact CD1-CD2 3.79Å; I52-L54 HydrophobicContact CD1-CG 4.26Å; I52-L54 HydrophobicContact CG1-CD1 4.5Å; I52-L54 HydrophobicContact CG1-CD2 3.79Å; I52-L54 HydrophobicContact CG1-CG 3.94Å; I52-L54 HydrophobicContact CG2-CD1 3.77Å; I52-L54 HydrophobicContact CG2-CG 3.9Å; I52-L54 PolarHBondContact O-N 2.92Å; L54-K66 PolarHBondContact N-O 3.47Å; L54-V142 HydrophobicContact CD2-CG1 4.11Å; L54-I144 HydrophobicContact CD2-CG1 3.72Å
55F98.4Very high97Very high0 Ų068.6 Ų68.60%032%0.318CS..BIsolated β-bridgetrans-110.3150.9-175.1-58-87.3000111R7 G26 I27 R63 D65 K66 V68 L71 L73R7-F55 HydrophobicContact CG-CD1 4.05Å; R7-F55 HydrophobicContact CG-CE1 3.45Å; R7-F55 VanDerWaalsContact CG-CE1 3.45Å; R7-F55 HydrophobicContact CG-CZ 3.85Å; G26-F55 WeakPolarHBondContact O-CZ 3.4Å; I27-F55 HydrophobicContact CG2-CE2 4.08Å; I27-F55 HydrophobicContact CG2-CZ 3.93Å; F55-R63 CarbonylContact C-O 3.53Å; F55-D65 PolarHBondContact O-N 3.42Å; F55-K66 HydrophobicContact CB-CB 4.08Å; F55-K66 WeakPolarHBondContact CD2-O 3.4Å; F55-K66 PolarHBondContact N-O 3.38Å; F55-K66 PolarHBondContact O-N 3.25Å; F55-V68 HydrophobicContact CE2-CB 4.19Å; F55-L71 HydrophobicContact CB-CD1 3.4Å; F55-L71 VanDerWaalsContact CB-CD1 3.4Å; F55-L71 HydrophobicContact CD1-CD1 4.25Å; F55-L71 HydrophobicContact CD2-CD1 4.28Å; F55-L71 HydrophobicContact CG-CD1 3.74Å; F55-L73 HydrophobicContact CD1-CD1 3.84Å; F55-L73 HydrophobicContact CD2-CD1 4.16Å; F55-L73 HydrophobicContact CE1-CD1 3.49Å; F55-L73 VanDerWaalsContact CE1-CD1 3.49Å; F55-L73 HydrophobicContact CE2-CD1 3.86Å; F55-L73 HydrophobicContact CG-CD1 4.16Å; F55-L73 HydrophobicContact CZ-CD1 3.51Å
56P97.3Very high97Very high40 Ų4071.3 Ų71.326%0.2633%0.33SS..  trans-67161.3174.530.1-35.6000111.2R62 R63 K66P56-R62 CarbonylContact C-O 3.14Å; P56-R62 WeakPolarHBondContact CA-O 3.46Å; P56-R63 WeakPolarHBondContact CA-O 3.32Å; P56-K66 WeakPolarHBondContact O-CG 3.24Å
57S96.8Very high97Very high7 Ų771.3 Ų71.35%0.04933%0.33CS..  trans-59.5159.9164.249.60000110.8D59 G60 I61 R62S57-D59 VanDerWaalsContact CB-OD1 3.25Å; S57-D59 WeakPolarHBondContact CB-OD1 3.3Å; S57-D59 PolarHBondContact O-N 2.62Å; S57-D59 PolarHBondContact OG-OD1 2.87Å; S57-G60 WeakPolarHBondContact O-CA 3.37Å; S57-G60 PolarHBondContact O-N 2.92Å; S57-I61 PolarHBondContact OG-N 2.7Å; S57-R62 PolarHBondContact N-O 3.03Å; S57-R62 WeakPolarHBondContact OG-CB 3.35Å; S57-R62 PolarHBondContact OG-N 2.97Å; S57-R62 PolarHBondContact OG-O 3.15Å
58L93.5Very high97Very high157 Ų15765 Ų6582%0.82231%0.306SS*.THydrogen-bonded Turntrans-61.9-30.1-177.6-65.6176000113G60 L71L58-G60 VanDerWaalsContact C-N 3.27Å; L58-L71 HydrophobicContact CD2-CD2 3.74Å
59D93.9Very high96.9Very high104 Ų10465.2 Ų65.256%0.55631%0.307SS*.THydrogen-bonded Turntrans-78.5-6.4173.358.819.1000113.7S57 I61S57-D59 VanDerWaalsContact CB-OD1 3.25Å; S57-D59 WeakPolarHBondContact CB-OD1 3.3Å; S57-D59 PolarHBondContact O-N 2.62Å; S57-D59 PolarHBondContact OG-OD1 2.87Å; D59-I61 HydrophobicContact CB-CD1 4.14Å; D59-I61 HydrophobicContact CB-CG1 4.11Å; D59-I61 PolarHBondContact O-N 2.86Å; D59-I61 WeakPolarHBondContact OD1-CB 3.22Å; D59-I61 PolarHBondContact OD1-N 2.78Å
60G92Very high96.9Very high47 Ų4769.1 Ų69.149%0.48533%0.328SS..SBendtrans73.2-2.5-17700000115.6S57 L58S57-G60 WeakPolarHBondContact O-CA 3.37Å; S57-G60 PolarHBondContact O-N 2.92Å; L58-G60 VanDerWaalsContact C-N 3.27Å
61I94.2Very high96.9Very high133 Ų13370.5 Ų70.568%0.68234%0.335SS*.  trans-71.1-44.8-173.4-60.8175.4000110.9S57 D59S57-I61 PolarHBondContact OG-N 2.7Å; D59-I61 HydrophobicContact CB-CD1 4.14Å; D59-I61 HydrophobicContact CB-CG1 4.11Å; D59-I61 PolarHBondContact O-N 2.86Å; D59-I61 WeakPolarHBondContact OD1-CB 3.22Å; D59-I61 PolarHBondContact OD1-N 2.78Å
62R95.5Very high96.9Very high133 Ų13371.7 Ų71.750%0.50234%0.341SS..  trans-98.7109.7-179.1-63.7-173.5-72.3146.85.6109.6P56 S57 W64 D65P56-R62 CarbonylContact C-O 3.14Å; P56-R62 WeakPolarHBondContact CA-O 3.46Å; S57-R62 PolarHBondContact N-O 3.03Å; S57-R62 WeakPolarHBondContact OG-CB 3.35Å; S57-R62 PolarHBondContact OG-N 2.97Å; S57-R62 PolarHBondContact OG-O 3.15Å; R62-W64 VanDerWaalsContact C-N 3.33Å; R62-W64 PolarHBondContact O-N 3.36Å; R62-D65 HydrophobicContact CB-CB 3.89Å; R62-D65 IonicContact CZ-OD1 3.48Å; R62-D65 IonicContact CZ-OD2 3.14Å; R62-D65 IonicContact NE-OD1 2.81Å; R62-D65 IonicContact NH1-OD1 3.94Å; R62-D65 PolarHBondContact NH1-OD1 3.42Å; R62-D65 IonicContact NH1-OD2 2.99Å; R62-D65 IonicContact NH2-OD1 3.57Å; R62-D65 PolarHBondContact NH2-OD1 2.91Å; R62-D65 VanDerWaalsContact NH2-OD1 3.09Å; R62-D65 IonicContact NH2-OD2 3.45Å; R62-D65 PolarHBondContact NH2-OD2 3.34Å
63R94.8Very high96.9Very high198 Ų19871 Ų7175%0.74734%0.338SS*.SBendtrans-64.5-30-175.7-65.6-172.5179.3-161.60.6114.8F55 P56F55-R63 CarbonylContact C-O 3.53Å; P56-R63 WeakPolarHBondContact CA-O 3.32Å
64W97.3Very high96.9Very high156 Ų15666.4 Ų66.459%0.59132%0.322SS*.SBendtrans-125.769.3-173.8-52.2117.6000110.8R62 V142R62-W64 VanDerWaalsContact C-N 3.33Å; R62-W64 PolarHBondContact O-N 3.36Å; W64-V142 HydrophobicContact CH2-CG1 4.08Å; W64-V142 HydrophobicContact CH2-CG2 3.79Å; W64-V142 HydrophobicContact CZ3-CG1 3.89Å; W64-V142 HydrophobicContact CZ3-CG2 4.03Å
65D98.1Very high96.9Very high4 Ų466.1 Ų66.12%0.02132%0.321CS..  trans-122-39.6-169.5-175.353.2000114.2R53 F55 R62R53-D65 WeakPolarHBondContact CD-O 3.43Å; R53-D65 VanDerWaalsContact CG-O 3.32Å; R53-D65 WeakPolarHBondContact CG-O 3.41Å; R53-D65 PolarHBondContact NH1-O 3.14Å; R53-D65 IonicContact NH1-OD1 3.89Å; R53-D65 PolarHBondContact NH1-OD1 2.94Å; R53-D65 VanDerWaalsContact NH1-OD1 3.14Å; F55-D65 PolarHBondContact O-N 3.42Å; R62-D65 HydrophobicContact CB-CB 3.89Å; R62-D65 IonicContact CZ-OD1 3.48Å; R62-D65 IonicContact CZ-OD2 3.14Å; R62-D65 IonicContact NE-OD1 2.81Å; R62-D65 IonicContact NH1-OD1 3.94Å; R62-D65 PolarHBondContact NH1-OD1 3.42Å; R62-D65 IonicContact NH1-OD2 2.99Å; R62-D65 IonicContact NH2-OD1 3.57Å; R62-D65 PolarHBondContact NH2-OD1 2.91Å; R62-D65 VanDerWaalsContact NH2-OD1 3.09Å; R62-D65 IonicContact NH2-OD2 3.45Å; R62-D65 PolarHBondContact NH2-OD2 3.34Å
66K98.5Very high97Very high58 Ų5866.1 Ų66.125%0.25232%0.321SS..BIsolated β-bridgetrans-111.1139.8-170-60.5-66-175178.40111.2R53 L54 F55 P56 D70 L71R53-K66 CarbonylContact C-O 3.58Å; R53-K66 WeakPolarHBondContact CA-O 3.24Å; L54-K66 PolarHBondContact N-O 3.47Å; F55-K66 HydrophobicContact CB-CB 4.08Å; F55-K66 WeakPolarHBondContact CD2-O 3.4Å; F55-K66 PolarHBondContact N-O 3.38Å; F55-K66 PolarHBondContact O-N 3.25Å; P56-K66 WeakPolarHBondContact O-CG 3.24Å; K66-D70 HydrophobicContact CB-CB 4.12Å; K66-D70 HydrophobicContact CD-CB 3.77Å; K66-L71 HydrophobicContact CB-CD1 3.88Å; K66-L71 HydrophobicContact CB-CD2 4.13Å; K66-L71 HydrophobicContact CB-CG 3.74Å; K66-L71 HydrophobicContact CG-CD2 4.05Å; K66-L71 HydrophobicContact CG-CG 4.23Å
67S98.5Very high97Very high1 Ų164.2 Ų64.21%0.00731%0.309CS..  trans-84.7171.4169.465.30000111.8L50 I52 K69 D70 L71L50-S67 WeakPolarHBondContact O-CB 3.18Å; L50-S67 PolarHBondContact O-OG 3.36Å; I52-S67 VanDerWaalsContact O-CA 3.24Å; I52-S67 WeakPolarHBondContact O-CA 3.5Å; I52-S67 WeakPolarHBondContact O-CB 3.24Å; S67-K69 PolarHBondContact O-N 2.87Å; S67-K69 PolarHBondContact OG-N 3.08Å; S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact N-OD2 3.36Å; S67-D70 PolarHBondContact O-N 3.17Å; S67-D70 PolarHBondContact OG-N 3.21Å; S67-D70 VanDerWaalsContact OG-N 3.12Å; S67-D70 PolarHBondContact OG-OD2 3.35Å; S67-L71 PolarHBondContact O-N 2.95Å
68V98.4Very high97.1Very high2 Ų264 Ų641%0.01231%0.307CS..THydrogen-bonded Turntrans-55.8-38.5171.368.10000111.1I27 F55 N72 L73 E74 I75 Y118I27-V68 HydrophobicContact CD1-CB 4.13Å; I27-V68 HydrophobicContact CD1-CG1 3.97Å; I27-V68 HydrophobicContact CD1-CG2 4.4Å; I27-V68 HydrophobicContact CG1-CB 4.36Å; I27-V68 HydrophobicContact CG1-CG2 4.14Å; F55-V68 HydrophobicContact CE2-CB 4.19Å; V68-N72 PolarHBondContact O-N 3.37Å; V68-L73 HydrophobicContact CG2-CB 3.67Å; V68-L73 PolarHBondContact O-N 2.92Å; V68-E74 WeakPolarHBondContact CG2-O 3.43Å; V68-I75 HydrophobicContact CG1-CD1 3.82Å; V68-I75 HydrophobicContact CG1-CG1 4.07Å; V68-I75 HydrophobicContact CG2-CD1 4.44Å; V68-I75 HydrophobicContact CG2-CG1 3.8Å; V68-Y118 PolarHBondContact O-OH 3.08Å
69K98.1Very high97.3Very high80 Ų8057.6 Ų57.635%0.34828%0.275SS..THydrogen-bonded Turntrans-69.3-43.2178.3179.9177.862.11780112.4N51 S67 L71 N72 Y118N51-K69 WeakPolarHBondContact OD1-CE 3.5Å; N51-K69 PolarHBondContact OD1-NZ 2.94Å; S67-K69 PolarHBondContact O-N 2.87Å; S67-K69 PolarHBondContact OG-N 3.08Å; K69-L71 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact O-N 3.14Å; K69-N72 PolarHBondContact O-N 3.37Å; K69-N72 VanDerWaalsContact O-N 3.09Å; K69-Y118 HydrophobicContact CB-CD2 4.06Å; K69-Y118 HydrophobicContact CB-CE2 3.89Å; K69-Y118 HydrophobicContact CD-CD2 4.29Å; K69-Y118 HydrophobicContact CG-CD2 3.74Å; K69-Y118 HydrophobicContact CG-CE2 3.77Å
70D98.1Very high97.5Very high81 Ų8155 Ų5543%0.43326%0.26SS..THydrogen-bonded Turntrans-62.9-23.3-178-61-46.2000113.2K66 S67K66-D70 HydrophobicContact CB-CB 4.12Å; K66-D70 HydrophobicContact CD-CB 3.77Å; S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact N-OD2 3.36Å; S67-D70 PolarHBondContact O-N 3.17Å; S67-D70 PolarHBondContact OG-N 3.21Å; S67-D70 VanDerWaalsContact OG-N 3.12Å; S67-D70 PolarHBondContact OG-OD2 3.35Å
71L97.9Very high97.8Very high34 Ų3458.2 Ų58.218%0.17826%0.261CS..THydrogen-bonded Turntrans-107.36.8179.4-64.9-179.2000113.3F55 L58 K66 S67 K69 L73F55-L71 HydrophobicContact CB-CD1 3.4Å; F55-L71 VanDerWaalsContact CB-CD1 3.4Å; F55-L71 HydrophobicContact CD1-CD1 4.25Å; F55-L71 HydrophobicContact CD2-CD1 4.28Å; F55-L71 HydrophobicContact CG-CD1 3.74Å; L58-L71 HydrophobicContact CD2-CD2 3.74Å; K66-L71 HydrophobicContact CB-CD1 3.88Å; K66-L71 HydrophobicContact CB-CD2 4.13Å; K66-L71 HydrophobicContact CB-CG 3.74Å; K66-L71 HydrophobicContact CG-CD2 4.05Å; K66-L71 HydrophobicContact CG-CG 4.23Å; S67-L71 PolarHBondContact O-N 2.95Å; K69-L71 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact O-N 3.14Å; L71-L73 HydrophobicContact CB-CD1 3.7Å; L71-L73 HydrophobicContact CB-CD2 4.29Å; L71-L73 HydrophobicContact CB-CG 3.57Å; L71-L73 HydrophobicContact CD1-CD1 3.91Å; L71-L73 HydrophobicContact CG-CD1 4.46Å; L71-L73 PolarHBondContact O-N 3.44Å
72N98.1Very high97.9Very high95 Ų9554.2 Ų54.251%0.50824%0.242SC..THydrogen-bonded Turntrans50.842.2-177-16637.8000113.3V68 K69 Y118V68-N72 PolarHBondContact O-N 3.37Å; K69-N72 PolarHBondContact O-N 3.37Å; K69-N72 VanDerWaalsContact O-N 3.09Å; N72-Y118 VanDerWaalsContact CA-OH 3.23Å; N72-Y118 WeakPolarHBondContact CA-OH 3.08Å
73L98.6Very high98Very high21 Ų2149.6 Ų49.611%0.1123%0.227CC..  trans-92.3176.5-177.1-62.8179.3000112.3R25 F55 V68 L71 Y118R25-L73 HydrophobicContact CB-CD2 4.13Å; R25-L73 HydrophobicContact CG-CD1 4.17Å; R25-L73 HydrophobicContact CG-CD2 4.09Å; R25-L73 WeakPolarHBondContact O-CB 3.43Å; F55-L73 HydrophobicContact CD1-CD1 3.84Å; F55-L73 HydrophobicContact CD2-CD1 4.16Å; F55-L73 HydrophobicContact CE1-CD1 3.49Å; F55-L73 VanDerWaalsContact CE1-CD1 3.49Å; F55-L73 HydrophobicContact CE2-CD1 3.86Å; F55-L73 HydrophobicContact CG-CD1 4.16Å; F55-L73 HydrophobicContact CZ-CD1 3.51Å; V68-L73 HydrophobicContact CG2-CB 3.67Å; V68-L73 PolarHBondContact O-N 2.92Å; L71-L73 HydrophobicContact CB-CD1 3.7Å; L71-L73 HydrophobicContact CB-CD2 4.29Å; L71-L73 HydrophobicContact CB-CG 3.57Å; L71-L73 HydrophobicContact CD1-CD1 3.91Å; L71-L73 HydrophobicContact CG-CD1 4.46Å; L71-L73 PolarHBondContact O-N 3.44Å; L73-Y118 PolarHBondContact N-OH 2.73Å; L73-Y118 WeakPolarHBondContact O-CE1 3.39Å; L73-Y118 PolarHBondContact O-OH 3.13Å
74E98.9Very high98.1Very high38 Ų3840.9 Ų40.918%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-98.3154.6-173.3-70.3174.6157.400113.2I23 G24 R25 G26 I27 V68 K122I23-E74 WeakPolarHBondContact CA-OE2 3.21Å; I23-E74 HydrophobicContact CB-CB 3.66Å; I23-E74 HydrophobicContact CD1-CB 4.46Å; I23-E74 HydrophobicContact CG2-CB 3.68Å; G24-E74 PolarHBondContact N-OE2 3.08Å; R25-E74 PolarHBondContact O-N 2.74Å; G26-E74 CarbonylContact C-O 3.43Å; G26-E74 WeakPolarHBondContact CA-O 3.45Å; I27-E74 PolarHBondContact N-O 3.38Å; V68-E74 WeakPolarHBondContact CG2-O 3.43Å; E74-K122 WeakPolarHBondContact CA-O 3.44Å; E74-K122 HydrophobicContact CG-CB 4.47Å; E74-K122 HydrophobicContact CG-CD 3.41Å; E74-K122 VanDerWaalsContact CG-CD 3.41Å; E74-K122 IonicContact OE1-NZ 2.87Å; E74-K122 PolarHBondContact OE1-NZ 3.45Å
75I98.9Very high98.1Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-124.6126.8177.2-55.8177.3000107.2I27 V29 I49 L50 V68 Y118 K122 V123 K124I27-I75 HydrophobicContact CD1-CD1 4.41Å; I27-I75 HydrophobicContact CD1-CG1 4.08Å; I27-I75 HydrophobicContact CD1-CG2 4.36Å; I27-I75 HydrophobicContact CG1-CB 4.28Å; I27-I75 HydrophobicContact CG1-CG1 3.89Å; I27-I75 HydrophobicContact CG1-CG2 4.11Å; I27-I75 WeakPolarHBondContact O-CA 3.44Å; V29-I75 HydrophobicContact CG2-CG2 4.02Å; I49-I75 HydrophobicContact CG2-CD1 4.2Å; L50-I75 HydrophobicContact CD2-CD1 3.6Å; V68-I75 HydrophobicContact CG1-CD1 3.82Å; V68-I75 HydrophobicContact CG1-CG1 4.07Å; V68-I75 HydrophobicContact CG2-CD1 4.44Å; V68-I75 HydrophobicContact CG2-CG1 3.8Å; I75-Y118 HydrophobicContact CD1-CD1 3.87Å; I75-Y118 HydrophobicContact CD1-CE1 4.11Å; I75-Y118 HydrophobicContact CG1-CE1 4.37Å; I75-K122 PolarHBondContact N-O 2.93Å; I75-V123 HydrophobicContact CD1-CG2 4.33Å; I75-K124 PolarHBondContact O-N 2.81Å
76L98.9Very high97.9Very high0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-112116.5168.917758.8000108.4A11 V13 S21 I23 I27 L28 V29 K124A11-L76 HydrophobicContact CB-CD2 3.8Å; V13-L76 HydrophobicContact CG2-CD1 4.04Å; V13-L76 HydrophobicContact CG2-CD2 4.02Å; V13-L76 HydrophobicContact CG2-CG 4.31Å; S21-L76 WeakPolarHBondContact OG-CD1 3.45Å; I23-L76 HydrophobicContact CD1-CB 3.6Å; I23-L76 HydrophobicContact CG1-CB 3.83Å; I23-L76 HydrophobicContact CG1-CD2 4.35Å; I23-L76 HydrophobicContact CG2-CB 3.93Å; I27-L76 PolarHBondContact O-N 3.06Å; L28-L76 CarbonylContact C-O 3.48Å; L28-L76 WeakPolarHBondContact CA-O 3.49Å; L28-L76 HydrophobicContact CD1-CB 4.19Å; L28-L76 HydrophobicContact CD1-CD2 3.95Å; L28-L76 HydrophobicContact CD1-CG 3.88Å; V29-L76 PolarHBondContact N-O 3Å; L76-K124 HydrophobicContact CD1-CB 3.85Å
77C98.8Very high97.8Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-99.4139.9177.4-65.60000110.7V29 I31 Y107 I111 L114 K124 D125 G126V29-C77 WeakPolarHBondContact O-CA 3.45Å; I31-C77 HydrophobicContact CD1-CB 4.02Å; C77-Y107 VanDerWaalsContact C-OH 3.3Å; C77-Y107 PolarHBondContact O-OH 3.2Å; C77-I111 HydrophobicContact CB-CD1 3.33Å; C77-L114 VanDerWaalsContact SG-CD1 3.56Å; C77-K124 PolarHBondContact N-O 2.86Å; C77-D125 CarbonylContact O-C 3.6Å; C77-D125 WeakPolarHBondContact O-CA 3.44Å; C77-G126 PolarHBondContact O-N 2.91Å
78V98.7Very high97.5Very high2 Ų248.5 Ų48.51%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-136.7129.2174.7-177.20000109V13 L28 V29 L30 I31 Q80 Y107 M132 V134V13-V78 HydrophobicContact CG2-CG2 3.79Å; L28-V78 HydrophobicContact CD1-CG2 3.95Å; V29-V78 PolarHBondContact O-N 3.11Å; L30-V78 CarbonylContact C-O 3.56Å; L30-V78 WeakPolarHBondContact CA-O 3.3Å; L30-V78 HydrophobicContact CD2-CB 3.94Å; L30-V78 HydrophobicContact CD2-CG1 4.38Å; I31-V78 PolarHBondContact N-O 3.3Å; V78-Q80 PolarHBondContact O-N 3.05Å; V78-Y107 WeakPolarHBondContact CA-OH 3.34Å; V78-Y107 PolarHBondContact N-OH 2.82Å; V78-M132 HydrophobicContact CG1-CE 3.73Å; V78-M132 HydrophobicContact CG1-SD 4.18Å; V78-V134 HydrophobicContact CG1-CG2 4.24Å; V78-V134 HydrophobicContact CG2-CG2 4.3Å
79S98.1Very high97.2Very high22 Ų2251.4 Ų51.415%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-64.9127.2173.360.10000111.1Y107S79-Y107 PolarHBondContact N-OH 3.36Å
80Q98.3Very high97.1Very high51 Ų5155.6 Ų55.624%0.23830%0.3CS..  trans-140.478.6-174.1-167.466.756.500111.7L30 I31 G32 V78 T82 L83L30-Q80 HydrophobicContact CB-CB 3.83Å; L30-Q80 HydrophobicContact CB-CG 4.12Å; L30-Q80 HydrophobicContact CD1-CG 4.37Å; I31-Q80 PolarHBondContact O-N 2.79Å; G32-Q80 WeakPolarHBondContact CA-O 3.41Å; V78-Q80 PolarHBondContact O-N 3.05Å; Q80-T82 PolarHBondContact NE2-OG1 3.31Å; Q80-T82 PolarHBondContact O-N 2.57Å; Q80-T82 VanDerWaalsContact O-N 3.13Å; Q80-L83 HydrophobicContact CB-CD1 4.35Å; Q80-L83 HydrophobicContact CB-CG 4.14Å; Q80-L83 HydrophobicContact CG-CD2 4.22Å; Q80-L83 HydrophobicContact CG-CG 3.86Å; Q80-L83 WeakPolarHBondContact O-CG 3.44Å; Q80-L83 PolarHBondContact O-N 3.34Å
81F97.3Very high97Very high114 Ų11459.4 Ų59.450%0.531%0.313SS..G310 helixtrans-60.2-25.5-179.978.9-85.1000113.2L83 Y84 F94 A97F81-L83 PolarHBondContact O-N 3.39Å; F81-L83 VanDerWaalsContact O-N 3.09Å; F81-Y84 PolarHBondContact O-N 2.9Å; F81-F94 HydrophobicContact CD2-CB 4.3Å; F81-F94 AromaticContact CD2-CD1 3.87Å; F81-F94 HydrophobicContact CD2-CD1 3.87Å; F81-F94 HydrophobicContact CD2-CE1 4.29Å; F81-F94 HydrophobicContact CD2-CG 4Å; F81-F94 HydrophobicContact CE2-CB 4.35Å; F81-F94 AromaticContact CE2-CD1 3.69Å; F81-F94 HydrophobicContact CE2-CD1 3.69Å; F81-F94 AromaticContact CE2-CD2 3.81Å; F81-F94 HydrophobicContact CE2-CD2 3.81Å; F81-F94 AromaticContact CE2-CE1 3.79Å; F81-F94 HydrophobicContact CE2-CE1 3.79Å; F81-F94 AromaticContact CE2-CE2 3.9Å; F81-F94 HydrophobicContact CE2-CE2 3.9Å; F81-F94 AromaticContact CE2-CG 3.68Å; F81-F94 HydrophobicContact CE2-CG 3.68Å; F81-F94 AromaticContact CE2-CZ 3.88Å; F81-F94 HydrophobicContact CE2-CZ 3.88Å; F81-F94 HydrophobicContact CZ-CZ 4.44Å; F81-A97 HydrophobicContact CB-CB 4.38Å
82T97.3Very high97Very high48 Ų4862.2 Ų62.229%0.29433%0.328SS..G310 helixtrans-65.9-11.1-179.4700000113.7Q80 Y84 S85 F94Q80-T82 PolarHBondContact NE2-OG1 3.31Å; Q80-T82 PolarHBondContact O-N 2.57Å; Q80-T82 VanDerWaalsContact O-N 3.13Å; T82-Y84 PolarHBondContact O-N 2.83Å; T82-S85 VanDerWaalsContact O-CB 3.24Å; T82-S85 WeakPolarHBondContact O-CB 3.5Å; T82-S85 PolarHBondContact O-N 2.89Å; T82-S85 PolarHBondContact O-OG 2.8Å; T82-S85 VanDerWaalsContact O-OG 3.1Å; T82-F94 HydrophobicContact CG2-CE1 3.94Å; T82-F94 HydrophobicContact CG2-CZ 4.27Å
83L97.6Very high96.9Very high36 Ų3659.3 Ų59.319%0.18831%0.312CS..G310 helixtrans-64.1-14.3169.8-62.8-173.8000113.3R2 V4 L30 Q80 F81R2-L83 HydrophobicContact CB-CB 4.33Å; R2-L83 HydrophobicContact CB-CD1 4.41Å; R2-L83 WeakPolarHBondContact CD-O 3.43Å; R2-L83 PolarHBondContact NH1-O 3.47Å; V4-L83 HydrophobicContact CG2-CD1 4.07Å; V4-L83 HydrophobicContact CG2-CD2 3.61Å; L30-L83 HydrophobicContact CB-CD1 4.34Å; L30-L83 WeakPolarHBondContact O-CD1 3.24Å; Q80-L83 HydrophobicContact CB-CD1 4.35Å; Q80-L83 HydrophobicContact CB-CG 4.14Å; Q80-L83 HydrophobicContact CG-CD2 4.22Å; Q80-L83 HydrophobicContact CG-CG 3.86Å; Q80-L83 WeakPolarHBondContact O-CG 3.44Å; Q80-L83 PolarHBondContact O-N 3.34Å; F81-L83 PolarHBondContact O-N 3.39Å; F81-L83 VanDerWaalsContact O-N 3.09Å
84Y96.9Very high96.8Very high15 Ų1561.4 Ų61.46%0.05932%0.321CS..G310 helixtrans-105.729.3170.8-74.9-73.9000112.4M1 R2 G32 L33 F81 T82 N96M1-Y84 WeakPolarHBondContact CA-OH 3.48Å; M1-Y84 PolarHBondContact N-OH 2.91Å; R2-Y84 HydrophobicContact CB-CE2 4.08Å; R2-Y84 HydrophobicContact CG-CE1 4.14Å; R2-Y84 HydrophobicContact CG-CE2 4.25Å; R2-Y84 PolarHBondContact N-OH 2.87Å; G32-Y84 VanDerWaalsContact C-CE2 3.47Å; G32-Y84 WeakPolarHBondContact O-CE2 3.45Å; L33-Y84 WeakPolarHBondContact O-CD2 3.41Å; F81-Y84 PolarHBondContact O-N 2.9Å; T82-Y84 PolarHBondContact O-N 2.83Å; Y84-N96 HydrophobicContact CD1-CB 4.36Å
85S96.2Very high96.6Very high48 Ų4863.3 Ų63.334%0.33633%0.33SS..  trans-69.3140.5168.362.70000111.6T82 D93T82-S85 VanDerWaalsContact O-CB 3.24Å; T82-S85 WeakPolarHBondContact O-CB 3.5Å; T82-S85 PolarHBondContact O-N 2.89Å; T82-S85 PolarHBondContact O-OG 2.8Å; T82-S85 VanDerWaalsContact O-OG 3.1Å; S85-D93 CarbonylContact C-O 3.49Å; S85-D93 WeakPolarHBondContact CA-O 3.42Å
86E94.9Very high96.5Very high82 Ų8264.6 Ų64.638%0.38334%0.336SS..EExtended strand (participates in β ladder)trans-120.3156.1160.9-68.2-174.7-162.500109.7L92 D93 H95 N96E86-L92 CarbonylContact O-C 3.58Å; E86-L92 WeakPolarHBondContact O-CA 3.37Å; E86-D93 PolarHBondContact N-O 3.23Å; E86-D93 PolarHBondContact O-N 2.74Å; E86-H95 VanDerWaalsContact CD-CE1 3.42Å; E86-H95 IonicContact OE1-CE1 2.71Å; E86-H95 IonicContact OE1-NE2 2.86Å; E86-H95 IonicContact OE2-CE1 3.91Å; E86-H95 PolarHBondContact OE2-CE1 3.18Å; E86-H95 IonicContact OE2-NE2 3.54Å; E86-N96 PolarHBondContact OE1-ND2 2.87Å
87L94.7Very high96.4Very high119 Ų11965.4 Ų65.462%0.62334%0.343SS*.EExtended strand (participates in β ladder)trans-109.3116.4-178-74.9174.5000109.8G89 L92L87-G89 WeakPolarHBondContact CB-O 3.31Å; L87-L92 HydrophobicContact CD2-CD2 3.75Å; L87-L92 HydrophobicContact CD2-CG 4.44Å
88K92.3Very high96.3Very high131 Ų13166.1 Ų66.157%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-100.788.1166.4-71.2177.3177.7166.10107.6N90 K91 D93K88-N90 PolarHBondContact O-N 2.99Å; K88-K91 PolarHBondContact N-O 3.47Å; K88-K91 PolarHBondContact O-N 2.78Å; K88-D93 HydrophobicContact CD-CB 4.31Å; K88-D93 WeakPolarHBondContact CE-OD2 3.33Å; K88-D93 IonicContact NZ-OD2 2.71Å; K88-D93 PolarHBondContact NZ-OD2 3.08Å
89G93.9Very high96.2Very high63 Ų6370.8 Ų70.865%0.64937%0.371SS*.THydrogen-bonded Turntrans64.6-125-159.700000109.5L87L87-G89 WeakPolarHBondContact CB-O 3.31Å
90N95.9Very high96Very high167 Ų16774.2 Ų74.289%0.89339%0.393SS*.THydrogen-bonded Turntrans-93.8-0.4175.1-64.5-28000113.6K88K88-N90 PolarHBondContact O-N 2.99Å
91K95.6Very high95.7Very high161 Ų16180.5 Ų80.570%0.742%0.42SS*.EExtended strand (participates in β ladder)trans-84.9126.6-179.8-175.4177.9178.2179.40110K88K88-K91 PolarHBondContact N-O 3.47Å; K88-K91 PolarHBondContact O-N 2.78Å
92L96.5Very high95.6Very high93 Ų9379.5 Ų79.549%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-71.7134172.8-64.6165.7000110.7E86 L87 F94E86-L92 CarbonylContact O-C 3.58Å; E86-L92 WeakPolarHBondContact O-CA 3.37Å; L87-L92 HydrophobicContact CD2-CD2 3.75Å; L87-L92 HydrophobicContact CD2-CG 4.44Å; L92-F94 HydrophobicContact CB-CE1 4.3Å; L92-F94 HydrophobicContact CB-CE2 3.86Å; L92-F94 HydrophobicContact CB-CZ 3.62Å; L92-F94 HydrophobicContact CD1-CZ 3.96Å; L92-F94 HydrophobicContact CG-CZ 4.27Å
93D96.5Very high95.6Very high35 Ų3577.8 Ų77.819%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-124.2136.6171.8-172.2-56.2000108.3S85 E86 K88 H95S85-D93 CarbonylContact C-O 3.49Å; S85-D93 WeakPolarHBondContact CA-O 3.42Å; E86-D93 PolarHBondContact N-O 3.23Å; E86-D93 PolarHBondContact O-N 2.74Å; K88-D93 HydrophobicContact CD-CB 4.31Å; K88-D93 WeakPolarHBondContact CE-OD2 3.33Å; K88-D93 IonicContact NZ-OD2 2.71Å; K88-D93 PolarHBondContact NZ-OD2 3.08Å; D93-H95 VanDerWaalsContact OD1-CB 3.27Å; D93-H95 WeakPolarHBondContact OD1-CB 3.32Å; D93-H95 IonicContact OD1-CE1 2.87Å; D93-H95 IonicContact OD1-CG 3.68Å; D93-H95 PolarHBondContact OD1-N 3.39Å; D93-H95 IonicContact OD1-ND1 3.47Å; D93-H95 PolarHBondContact OD1-ND1 3.3Å
94F96.2Very high95.5Very high65 Ų6582 Ų8229%0.28543%0.426SS..  trans-122.123.4-175.3-53.4-77.8000112.4F81 T82 L92 N96 A97F81-F94 HydrophobicContact CD2-CB 4.3Å; F81-F94 AromaticContact CD2-CD1 3.87Å; F81-F94 HydrophobicContact CD2-CD1 3.87Å; F81-F94 HydrophobicContact CD2-CE1 4.29Å; F81-F94 HydrophobicContact CD2-CG 4Å; F81-F94 HydrophobicContact CE2-CB 4.35Å; F81-F94 AromaticContact CE2-CD1 3.69Å; F81-F94 HydrophobicContact CE2-CD1 3.69Å; F81-F94 AromaticContact CE2-CD2 3.81Å; F81-F94 HydrophobicContact CE2-CD2 3.81Å; F81-F94 AromaticContact CE2-CE1 3.79Å; F81-F94 HydrophobicContact CE2-CE1 3.79Å; F81-F94 AromaticContact CE2-CE2 3.9Å; F81-F94 HydrophobicContact CE2-CE2 3.9Å; F81-F94 AromaticContact CE2-CG 3.68Å; F81-F94 HydrophobicContact CE2-CG 3.68Å; F81-F94 AromaticContact CE2-CZ 3.88Å; F81-F94 HydrophobicContact CE2-CZ 3.88Å; F81-F94 HydrophobicContact CZ-CZ 4.44Å; T82-F94 HydrophobicContact CG2-CE1 3.94Å; T82-F94 HydrophobicContact CG2-CZ 4.27Å; L92-F94 HydrophobicContact CB-CE1 4.3Å; L92-F94 HydrophobicContact CB-CE2 3.86Å; L92-F94 HydrophobicContact CB-CZ 3.62Å; L92-F94 HydrophobicContact CD1-CZ 3.96Å; L92-F94 HydrophobicContact CG-CZ 4.27Å; F94-N96 PolarHBondContact O-N 2.84Å; F94-A97 HydrophobicContact CB-CB 4.31Å; F94-A97 VanDerWaalsContact O-CB 3.29Å; F94-A97 WeakPolarHBondContact O-CB 3.41Å; F94-A97 PolarHBondContact O-N 2.91Å
95H94.9Very high95.5Very high78 Ų7885.5 Ų85.536%0.36145%0.445SS..THydrogen-bonded Turntrans-60.4-17-173.871.9-89.4000114.7R35 E86 D93R35-H95 WeakPolarHBondContact CD-O 3.47Å; R35-H95 PolarHBondContact NE-O 2.94Å; E86-H95 VanDerWaalsContact CD-CE1 3.42Å; E86-H95 IonicContact OE1-CE1 2.71Å; E86-H95 IonicContact OE1-NE2 2.86Å; E86-H95 IonicContact OE2-CE1 3.91Å; E86-H95 PolarHBondContact OE2-CE1 3.18Å; E86-H95 IonicContact OE2-NE2 3.54Å; D93-H95 VanDerWaalsContact OD1-CB 3.27Å; D93-H95 WeakPolarHBondContact OD1-CB 3.32Å; D93-H95 IonicContact OD1-CE1 2.87Å; D93-H95 IonicContact OD1-CG 3.68Å; D93-H95 PolarHBondContact OD1-N 3.39Å; D93-H95 IonicContact OD1-ND1 3.47Å; D93-H95 PolarHBondContact OD1-ND1 3.3Å
96N96.2Very high95.6Very high27 Ų2784.8 Ų84.814%0.14444%0.438CS..THydrogen-bonded Turntrans-91.2-11.3175.7-77.6-35.5000113.9S34 R35 Y84 E86 F94S34-N96 VanDerWaalsContact CA-O 3.24Å; S34-N96 WeakPolarHBondContact CA-O 3.08Å; S34-N96 WeakPolarHBondContact CB-O 3.38Å; S34-N96 PolarHBondContact OG-O 3.26Å; R35-N96 PolarHBondContact N-O 3.14Å; R35-N96 VanDerWaalsContact N-O 3.15Å; R35-N96 PolarHBondContact NE-OD1 2.67Å; R35-N96 PolarHBondContact NH2-OD1 2.92Å; Y84-N96 HydrophobicContact CD1-CB 4.36Å; E86-N96 PolarHBondContact OE1-ND2 2.87Å; F94-N96 PolarHBondContact O-N 2.84Å
97A97.4Very high95.8Very high17 Ų1781 Ų8114%0.1442%0.42CS..BIsolated β-bridgetrans-68.2148.4171.300000110.8L33 F81 F94L33-A97 WeakPolarHBondContact O-CA 3.19Å; F81-A97 HydrophobicContact CB-CB 4.38Å; F94-A97 HydrophobicContact CB-CB 4.31Å; F94-A97 VanDerWaalsContact O-CB 3.29Å; F94-A97 WeakPolarHBondContact O-CB 3.41Å; F94-A97 PolarHBondContact O-N 2.91Å
98M97.6Very high95.9Very high15 Ų1577.6 Ų77.67%0.07441%0.406CS..PPolyproline II helixtrans-68.8144173.2-173.8178-69.700110.6L33 S34 D37 L102 S103 I106L33-M98 HydrophobicContact CB-CB 3.94Å; L33-M98 HydrophobicContact CB-CE 4.31Å; L33-M98 HydrophobicContact CB-SD 4.29Å; L33-M98 HydrophobicContact CD1-SD 4.37Å; L33-M98 PolarHBondContact O-N 3.43Å; S34-M98 WeakPolarHBondContact O-CE 3.43Å; D37-M98 HydrophobicContact CB-CE 4.11Å; M98-L102 HydrophobicContact CE-CD2 4.48Å; M98-L102 HydrophobicContact CG-CB 4.12Å; M98-L102 HydrophobicContact CG-CD2 4.02Å; M98-L102 HydrophobicContact CG-CG 4.12Å; M98-L102 HydrophobicContact SD-CB 4.16Å; M98-L102 HydrophobicContact SD-CD2 3.94Å; M98-L102 HydrophobicContact SD-CG 3.7Å; M98-S103 VanDerWaalsContact SD-CA 3.51Å; M98-I106 HydrophobicContact CE-CB 4.44Å; M98-I106 HydrophobicContact CE-CG1 4.11Å; M98-I106 HydrophobicContact CE-CG2 4.27Å; M98-I106 HydrophobicContact SD-CB 4.04Å; M98-I106 HydrophobicContact SD-CG1 3.77Å; M98-I106 HydrophobicContact SD-CG2 4.43Å
99D95.9Very high96.2Very high99 Ų9974.8 Ų74.853%0.52940%0.395SS..PPolyproline II helixtrans-53.6140175.7178-91.5000112K101 L102 S103D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.31Å; D99-K101 VanDerWaalsContact OD1-CB 3.26Å; D99-K101 WeakPolarHBondContact OD1-CB 3.36Å; D99-K101 PolarHBondContact OD1-N 3.27Å; D99-L102 PolarHBondContact O-N 3.42Å; D99-S103 VanDerWaalsContact O-CB 3.28Å; D99-S103 WeakPolarHBondContact O-CB 3.36Å; D99-S103 PolarHBondContact O-N 3.36Å; D99-S103 PolarHBondContact O-OG 2.96Å
100P93.4Very high96.4Very high95 Ų9571.8 Ų71.862%0.61736%0.364SS*.Hα-helixtrans-53.6-35.5-178.2-30.437.3000115.2S103 K104P100-S103 VanDerWaalsContact C-OG 3.31Å; P100-S103 WeakPolarHBondContact CA-OG 3.48Å; P100-S103 PolarHBondContact O-OG 3.08Å; P100-S103 VanDerWaalsContact O-OG 3.08Å; P100-K104 PolarHBondContact O-N 3.4Å
101K93Very high96.5Very high182 Ų18264.1 Ų64.179%0.79132%0.323SS*.Hα-helixtrans-72.6-43.9-177.9-172.8-179.1177.2-177.10111.2D99D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.31Å; D99-K101 VanDerWaalsContact OD1-CB 3.26Å; D99-K101 WeakPolarHBondContact OD1-CB 3.36Å; D99-K101 PolarHBondContact OD1-N 3.27Å
102L94.9Very high96.7Very high94 Ų9461.1 Ų61.149%0.49232%0.315SS..Hα-helixtrans-72.6-41.3178.2-176.562.6000111.5M98 D99 K104 D105 I106M98-L102 HydrophobicContact CE-CD2 4.48Å; M98-L102 HydrophobicContact CG-CB 4.12Å; M98-L102 HydrophobicContact CG-CD2 4.02Å; M98-L102 HydrophobicContact CG-CG 4.12Å; M98-L102 HydrophobicContact SD-CB 4.16Å; M98-L102 HydrophobicContact SD-CD2 3.94Å; M98-L102 HydrophobicContact SD-CG 3.7Å; D99-L102 PolarHBondContact O-N 3.42Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.26Å; L102-D105 PolarHBondContact O-N 3.04Å; L102-I106 HydrophobicContact CD1-CG1 4.4Å; L102-I106 HydrophobicContact CG-CG1 4.31Å; L102-I106 PolarHBondContact O-N 3.01Å
103S96.4Very high96.8Very high11 Ų1158.8 Ų58.88%0.07730%0.299CS..Hα-helixtrans-62.2-31.4-178.151.70000113.4L33 M98 D99 P100 D105 Y107 F128L33-S103 WeakPolarHBondContact CD1-O 3.36Å; M98-S103 VanDerWaalsContact SD-CA 3.51Å; D99-S103 VanDerWaalsContact O-CB 3.28Å; D99-S103 WeakPolarHBondContact O-CB 3.36Å; D99-S103 PolarHBondContact O-N 3.36Å; D99-S103 PolarHBondContact O-OG 2.96Å; P100-S103 VanDerWaalsContact C-OG 3.31Å; P100-S103 WeakPolarHBondContact CA-OG 3.48Å; P100-S103 PolarHBondContact O-OG 3.08Å; P100-S103 VanDerWaalsContact O-OG 3.08Å; S103-D105 VanDerWaalsContact C-N 3.34Å; S103-D105 PolarHBondContact O-N 3.2Å; S103-Y107 WeakPolarHBondContact O-CB 3.49Å; S103-Y107 PolarHBondContact O-N 3.19Å; S103-F128 WeakPolarHBondContact OG-CZ 3.45Å
104K97.1Very high96.9Very high126 Ų12657.1 Ų57.155%0.54829%0.29SS..Hα-helixtrans-58.8-44.7174.9-173.8177.7-179.5178.40112.6P100 L102 S108 F128P100-K104 PolarHBondContact O-N 3.4Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.26Å; K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 2.86Å; K104-S108 PolarHBondContact O-OG 2.94Å; K104-F128 HydrophobicContact CB-CD1 3.84Å; K104-F128 HydrophobicContact CB-CE1 3.61Å; K104-F128 HydrophobicContact CB-CG 4.48Å; K104-F128 HydrophobicContact CB-CZ 4.08Å; K104-F128 HydrophobicContact CD-CD1 4.33Å; K104-F128 HydrophobicContact CG-CD1 3.81Å; K104-F128 HydrophobicContact CG-CE1 4.14Å; K104-F128 HydrophobicContact CG-CG 4.25Å
105D96.5Very high97Very high87 Ų8756.7 Ų56.747%0.46529%0.288SS..Hα-helixtrans-69-51.3-180177.636.6000110.7L102 S103 Y107 S108 Q109L102-D105 PolarHBondContact O-N 3.04Å; S103-D105 VanDerWaalsContact C-N 3.34Å; S103-D105 PolarHBondContact O-N 3.2Å; D105-Y107 VanDerWaalsContact C-N 3.3Å; D105-Y107 PolarHBondContact O-N 3Å; D105-S108 WeakPolarHBondContact O-CB 3.38Å; D105-S108 PolarHBondContact O-N 3.43Å; D105-S108 VanDerWaalsContact O-N 3.08Å; D105-Q109 WeakPolarHBondContact O-CG 3.36Å; D105-Q109 PolarHBondContact O-N 2.84Å; D105-Q109 PolarHBondContact OD1-NE2 2.92Å; D105-Q109 PolarHBondContact OD2-NE2 2.63Å
106I97.8Very high97.1Very high34 Ų3461.7 Ų61.717%0.17431%0.309CS..Hα-helixtrans-60.2-39.5179-60.2-56.9000111.9L33 M42 M98 L102 Q109 L110L33-I106 HydrophobicContact CD1-CB 4.01Å; L33-I106 HydrophobicContact CD1-CG2 3.9Å; L33-I106 HydrophobicContact CD2-CG2 4.18Å; M42-I106 HydrophobicContact CE-CG2 3.84Å; M98-I106 HydrophobicContact CE-CB 4.44Å; M98-I106 HydrophobicContact CE-CG1 4.11Å; M98-I106 HydrophobicContact CE-CG2 4.27Å; M98-I106 HydrophobicContact SD-CB 4.04Å; M98-I106 HydrophobicContact SD-CG1 3.77Å; M98-I106 HydrophobicContact SD-CG2 4.43Å; L102-I106 HydrophobicContact CD1-CG1 4.4Å; L102-I106 HydrophobicContact CG-CG1 4.31Å; L102-I106 PolarHBondContact O-N 3.01Å; I106-Q109 PolarHBondContact O-N 3.37Å; I106-L110 PolarHBondContact O-N 2.76Å
107Y98.5Very high97.2Very high1 Ų164.2 Ų64.20%0.00432%0.323CS..Hα-helixtrans-63.4-46.5174.5-178.4-97.5000111.3I31 C77 V78 S79 S103 D105 Q109 L110 I111 D125 F128I31-Y107 HydrophobicContact CB-CE2 4.14Å; I31-Y107 HydrophobicContact CD1-CE2 4.18Å; I31-Y107 HydrophobicContact CG2-CD2 4.45Å; C77-Y107 VanDerWaalsContact C-OH 3.3Å; C77-Y107 PolarHBondContact O-OH 3.2Å; V78-Y107 WeakPolarHBondContact CA-OH 3.34Å; V78-Y107 PolarHBondContact N-OH 2.82Å; S79-Y107 PolarHBondContact N-OH 3.36Å; S103-Y107 WeakPolarHBondContact O-CB 3.49Å; S103-Y107 PolarHBondContact O-N 3.19Å; D105-Y107 VanDerWaalsContact C-N 3.3Å; D105-Y107 PolarHBondContact O-N 3Å; Y107-Q109 VanDerWaalsContact C-N 3.3Å; Y107-Q109 PolarHBondContact O-N 3.39Å; Y107-L110 WeakPolarHBondContact O-CB 3.2Å; Y107-L110 PolarHBondContact O-N 3.44Å; Y107-L110 VanDerWaalsContact O-N 3.11Å; Y107-I111 HydrophobicContact CD1-CG1 4.11Å; Y107-I111 HydrophobicContact CE1-CD1 4.12Å; Y107-I111 HydrophobicContact CE1-CG1 3.73Å; Y107-I111 HydrophobicContact CE2-CD1 4.29Å; Y107-I111 WeakPolarHBondContact O-CG1 3.1Å; Y107-I111 PolarHBondContact O-N 3.28Å; Y107-D125 VanDerWaalsContact CE1-OD1 3.24Å; Y107-D125 WeakPolarHBondContact CE1-OD1 3.26Å; Y107-D125 WeakPolarHBondContact CE1-OD2 3.14Å; Y107-D125 VanDerWaalsContact CZ-OD1 3.31Å; Y107-D125 PolarHBondContact OH-OD1 2.97Å; Y107-F128 AromaticContact CD1-CD2 3.59Å; Y107-F128 HydrophobicContact CD1-CD2 3.59Å; Y107-F128 HydrophobicContact CD1-CE2 4.33Å; Y107-F128 HydrophobicContact CD1-CG 4.46Å; Y107-F128 HydrophobicContact CD2-CD2 4.47Å; Y107-F128 HydrophobicContact CE1-CD2 4.21Å; Y107-F128 AromaticContact CG-CD2 3.74Å; Y107-F128 HydrophobicContact CG-CD2 3.74Å; Y107-F128 HydrophobicContact CG-CE2 4.01Å
108S97.9Very high97.3Very high49 Ų4965.3 Ų65.334%0.34332%0.324SS..Hα-helixtrans-60.3-40.2178-58.60000111.9K104 D105 I111 N112K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 2.86Å; K104-S108 PolarHBondContact O-OG 2.94Å; D105-S108 WeakPolarHBondContact O-CB 3.38Å; D105-S108 PolarHBondContact O-N 3.43Å; D105-S108 VanDerWaalsContact O-N 3.08Å; S108-I111 PolarHBondContact O-N 2.89Å; S108-N112 WeakPolarHBondContact O-CB 3.21Å; S108-N112 VanDerWaalsContact O-CG 3.28Å; S108-N112 PolarHBondContact O-N 3.13Å; S108-N112 PolarHBondContact O-ND2 3.5Å
109Q98.1Very high97.2Very high72 Ų7267.1 Ų67.134%0.33633%0.334SS..Hα-helixtrans-62-42.4174.2-69.117740.600111.9M42 D105 I106 Y107 N112 R113M42-Q109 HydrophobicContact CE-CB 3.91Å; M42-Q109 HydrophobicContact SD-CB 4.17Å; D105-Q109 WeakPolarHBondContact O-CG 3.36Å; D105-Q109 PolarHBondContact O-N 2.84Å; D105-Q109 PolarHBondContact OD1-NE2 2.92Å; D105-Q109 PolarHBondContact OD2-NE2 2.63Å; I106-Q109 PolarHBondContact O-N 3.37Å; Y107-Q109 VanDerWaalsContact C-N 3.3Å; Y107-Q109 PolarHBondContact O-N 3.39Å; Q109-N112 PolarHBondContact O-N 3.03Å; Q109-R113 WeakPolarHBondContact O-CB 3.3Å; Q109-R113 PolarHBondContact O-N 2.54Å
110L98.5Very high97.3Very high0 Ų068.6 Ų68.60%034%0.337CS..Hα-helixtrans-61.2-46.4175.8-176.6154.9000111.9M1 I31 M42 I45 V46 I106 Y107 N112 R113 L114M1-L110 HydrophobicContact CE-CD1 4.11Å; M1-L110 HydrophobicContact SD-CD1 3.37Å; M1-L110 WeakPolarHBondContact SD-CD1 3.33Å; I31-L110 HydrophobicContact CD1-CD1 4.43Å; I31-L110 HydrophobicContact CD1-CD2 3.49Å; I31-L110 VanDerWaalsContact CD1-CD2 3.49Å; I31-L110 HydrophobicContact CG2-CD1 4.04Å; M42-L110 HydrophobicContact CG-CB 4Å; M42-L110 HydrophobicContact CG-CD1 4.16Å; M42-L110 HydrophobicContact CG-CG 4.15Å; M42-L110 HydrophobicContact SD-CB 4.01Å; I45-L110 HydrophobicContact CG2-CD1 4.35Å; V46-L110 HydrophobicContact CG2-CG 4.13Å; I106-L110 PolarHBondContact O-N 2.76Å; Y107-L110 WeakPolarHBondContact O-CB 3.2Å; Y107-L110 PolarHBondContact O-N 3.44Å; Y107-L110 VanDerWaalsContact O-N 3.11Å; L110-N112 PolarHBondContact O-N 2.74Å; L110-R113 PolarHBondContact O-N 2.78Å; L110-L114 HydrophobicContact CD2-CD1 3.63Å; L110-L114 HydrophobicContact CD2-CG 4.26Å; L110-L114 PolarHBondContact O-N 2.85Å
111I98.6Very high97.5Very high5 Ų570.9 Ų70.93%0.02634%0.339CS..Hα-helixtrans-60.9-45.9177.5-60.9-55000110.7C77 Y107 S108 R113 L114 K115 V123C77-I111 HydrophobicContact CB-CD1 3.33Å; Y107-I111 HydrophobicContact CD1-CG1 4.11Å; Y107-I111 HydrophobicContact CE1-CD1 4.12Å; Y107-I111 HydrophobicContact CE1-CG1 3.73Å; Y107-I111 HydrophobicContact CE2-CD1 4.29Å; Y107-I111 WeakPolarHBondContact O-CG1 3.1Å; Y107-I111 PolarHBondContact O-N 3.28Å; S108-I111 PolarHBondContact O-N 2.89Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.46Å; I111-L114 WeakPolarHBondContact O-CB 3.42Å; I111-L114 PolarHBondContact O-N 3.24Å; I111-K115 HydrophobicContact CG2-CD 4.26Å; I111-K115 WeakPolarHBondContact O-CG 3.23Å; I111-K115 PolarHBondContact O-N 2.97Å; I111-V123 HydrophobicContact CG2-CG1 4.34Å
112N98.4Very high97.8Very high98 Ų9864.6 Ų64.652%0.52431%0.312SS..Hα-helixtrans-61-38.1177-72.8-22.3000112.1S108 Q109 L110 K115 K116S108-N112 WeakPolarHBondContact O-CB 3.21Å; S108-N112 VanDerWaalsContact O-CG 3.28Å; S108-N112 PolarHBondContact O-N 3.13Å; S108-N112 PolarHBondContact O-ND2 3.5Å; Q109-N112 PolarHBondContact O-N 3.03Å; L110-N112 PolarHBondContact O-N 2.74Å; N112-K115 PolarHBondContact O-N 3.33Å; N112-K116 WeakPolarHBondContact O-CB 3.12Å; N112-K116 PolarHBondContact O-N 2.83Å
113R98.4Very high98Very high44 Ų4460.3 Ų60.317%0.16629%0.29CS..Hα-helixtrans-69-37.6176.8-172.5174.3-92.6160-12.1112.3E39 M42 E43 V46 Q109 L110 I111 N117E39-R113 IonicContact OE1-CZ 3.98Å; E39-R113 IonicContact OE1-NH1 3.53Å; E39-R113 PolarHBondContact OE1-NH1 2.8Å; E39-R113 IonicContact OE1-NH2 3.84Å; E39-R113 PolarHBondContact OE1-NH2 2.88Å; E39-R113 IonicContact OE2-CZ 2.9Å; E39-R113 IonicContact OE2-NH1 3.17Å; E39-R113 PolarHBondContact OE2-NH1 2.77Å; M42-R113 PolarHBondContact SD-NH1 2.99Å; E43-R113 VanDerWaalsContact CD-NE 3.35Å; E43-R113 IonicContact OE1-CZ 2.67Å; E43-R113 IonicContact OE1-NE 2.92Å; E43-R113 PolarHBondContact OE1-NE 3.35Å; E43-R113 IonicContact OE1-NH1 3.84Å; E43-R113 IonicContact OE1-NH2 3.09Å; E43-R113 PolarHBondContact OE1-NH2 2.98Å; E43-R113 WeakPolarHBondContact OE2-CD 3.5Å; E43-R113 IonicContact OE2-NE 2.62Å; V46-R113 HydrophobicContact CB-CG 4.46Å; V46-R113 HydrophobicContact CG1-CG 4.14Å; V46-R113 HydrophobicContact CG2-CB 4.24Å; V46-R113 HydrophobicContact CG2-CG 4.01Å; Q109-R113 WeakPolarHBondContact O-CB 3.3Å; Q109-R113 PolarHBondContact O-N 2.54Å; L110-R113 PolarHBondContact O-N 2.78Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.46Å; R113-N117 WeakPolarHBondContact CG-ND2 3.33Å; R113-N117 VanDerWaalsContact O-CB 3.31Å; R113-N117 WeakPolarHBondContact O-CB 3.33Å; R113-N117 PolarHBondContact O-N 2.6Å; R113-N117 PolarHBondContact O-ND2 2.81Å
114L98.7Very high98.1Very high0 Ų063.2 Ų63.20%030%0.301CS..Hα-helixtrans-61.2-49.2170.4-78.8169.1000111.2V46 I49 L50 C77 L110 I111 K116 N117 Y118 V123V46-L114 HydrophobicContact CB-CD2 4.45Å; V46-L114 HydrophobicContact CG1-CD2 3.98Å; V46-L114 HydrophobicContact CG1-CG 4.42Å; V46-L114 HydrophobicContact CG2-CD2 4.39Å; V46-L114 HydrophobicContact CG2-CG 4.22Å; I49-L114 HydrophobicContact CB-CD2 4.25Å; I49-L114 HydrophobicContact CG2-CD2 3.88Å; L50-L114 HydrophobicContact CD1-CD2 4.4Å; L50-L114 HydrophobicContact CD2-CD2 3.86Å; L50-L114 HydrophobicContact CG-CD2 3.91Å; C77-L114 VanDerWaalsContact SG-CD1 3.56Å; L110-L114 HydrophobicContact CD2-CD1 3.63Å; L110-L114 HydrophobicContact CD2-CG 4.26Å; L110-L114 PolarHBondContact O-N 2.85Å; I111-L114 WeakPolarHBondContact O-CB 3.42Å; I111-L114 PolarHBondContact O-N 3.24Å; L114-K116 PolarHBondContact O-N 3.24Å; L114-N117 PolarHBondContact O-N 2.79Å; L114-Y118 WeakPolarHBondContact O-CB 3.26Å; L114-Y118 PolarHBondContact O-N 2.86Å; L114-Y118 VanDerWaalsContact O-N 3.16Å; L114-V123 HydrophobicContact CB-CG1 3.94Å; L114-V123 HydrophobicContact CB-CG2 4.15Å; L114-V123 HydrophobicContact CD1-CG1 4.43Å
115K98.5Very high98.1Very high56 Ų5659.7 Ų59.724%0.24329%0.288CS..Hα-helixtrans-56.4-49.5177.8-72.5175.6165.6-168.20111.7I111 N112 N117 Y118 N119 E120 V123I111-K115 HydrophobicContact CG2-CD 4.26Å; I111-K115 WeakPolarHBondContact O-CG 3.23Å; I111-K115 PolarHBondContact O-N 2.97Å; N112-K115 PolarHBondContact O-N 3.33Å; K115-N117 PolarHBondContact O-N 2.89Å; K115-Y118 PolarHBondContact O-N 3.18Å; K115-N119 PolarHBondContact O-N 3.21Å; K115-E120 HydrophobicContact CB-CB 4.23Å; K115-E120 HydrophobicContact CB-CG 4.5Å; K115-E120 HydrophobicContact CD-CG 4.02Å; K115-E120 HydrophobicContact CG-CB 4.44Å; K115-E120 HydrophobicContact CG-CG 4.34Å; K115-E120 IonicContact NZ-OE1 3.92Å; K115-V123 HydrophobicContact CG-CB 3.74Å; K115-V123 HydrophobicContact CG-CG1 3.99Å; K115-V123 HydrophobicContact CG-CG2 4.34Å
116K98.2Very high98.2Very high184 Ų18456 Ų5680%0.827%0.271SS*.Hα-helixtrans-63.1-38.8-179.7-176.6178.5177.7-178.80113.4N112 L114 Y118N112-K116 WeakPolarHBondContact O-CB 3.12Å; N112-K116 PolarHBondContact O-N 2.83Å; L114-K116 PolarHBondContact O-N 3.24Å; K116-Y118 VanDerWaalsContact C-N 3.35Å
117N98.2Very high98.1Very high80 Ų8058.1 Ų58.143%0.42828%0.282SS..Hα-helixtrans-88.40.9-176.8-72.5-43.1000113.8L50 R113 L114 K115L50-N117 HydrophobicContact CD1-CB 3.66Å; R113-N117 WeakPolarHBondContact CG-ND2 3.33Å; R113-N117 VanDerWaalsContact O-CB 3.31Å; R113-N117 WeakPolarHBondContact O-CB 3.33Å; R113-N117 PolarHBondContact O-N 2.6Å; R113-N117 PolarHBondContact O-ND2 2.81Å; L114-N117 PolarHBondContact O-N 2.79Å; K115-N117 PolarHBondContact O-N 2.89Å
118Y98.4Very high98Very high40 Ų4060.8 Ų60.816%0.15729%0.293CS..SBendtrans-140.1-91.6-178.2179.7-144.1000113L50 V68 K69 N72 L73 I75 L114 K115 K116 K122 V123L50-Y118 HydrophobicContact CD2-CD1 4.01Å; L50-Y118 HydrophobicContact CD2-CG 3.98Å; V68-Y118 PolarHBondContact O-OH 3.08Å; K69-Y118 HydrophobicContact CB-CD2 4.06Å; K69-Y118 HydrophobicContact CB-CE2 3.89Å; K69-Y118 HydrophobicContact CD-CD2 4.29Å; K69-Y118 HydrophobicContact CG-CD2 3.74Å; K69-Y118 HydrophobicContact CG-CE2 3.77Å; N72-Y118 VanDerWaalsContact CA-OH 3.23Å; N72-Y118 WeakPolarHBondContact CA-OH 3.08Å; L73-Y118 PolarHBondContact N-OH 2.73Å; L73-Y118 WeakPolarHBondContact O-CE1 3.39Å; L73-Y118 PolarHBondContact O-OH 3.13Å; I75-Y118 HydrophobicContact CD1-CD1 3.87Å; I75-Y118 HydrophobicContact CD1-CE1 4.11Å; I75-Y118 HydrophobicContact CG1-CE1 4.37Å; L114-Y118 WeakPolarHBondContact O-CB 3.26Å; L114-Y118 PolarHBondContact O-N 2.86Å; L114-Y118 VanDerWaalsContact O-N 3.16Å; K115-Y118 PolarHBondContact O-N 3.18Å; K116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-K122 HydrophobicContact CD1-CB 4.46Å; Y118-K122 HydrophobicContact CE1-CB 3.87Å; Y118-V123 HydrophobicContact CD1-CG2 4.15Å
119N96.7Very high97.7Very high53 Ų5361.7 Ų61.728%0.28331%0.311SS..  trans-159.2122.4178179.5-28.8000107.9K115 E121 K122 V123K115-N119 PolarHBondContact O-N 3.21Å; N119-E121 VanDerWaalsContact C-N 3.27Å; N119-E121 PolarHBondContact O-N 3.02Å; N119-E121 WeakPolarHBondContact OD1-CB 3.42Å; N119-E121 PolarHBondContact OD1-N 3.01Å; N119-K122 HydrophobicContact CB-CB 4.11Å; N119-K122 HydrophobicContact CB-CG 4.09Å; N119-K122 PolarHBondContact O-N 2.76Å; N119-K122 VanDerWaalsContact O-N 3.15Å; N119-V123 PolarHBondContact O-N 2.77Å
120E97.7Very high97.6Very high129 Ų12959.8 Ų59.860%0.60331%0.307SS*.G310 helixtrans-57.9-38-177.4174.7161.8-15900113.3K115 K122K115-E120 HydrophobicContact CB-CB 4.23Å; K115-E120 HydrophobicContact CB-CG 4.5Å; K115-E120 HydrophobicContact CD-CG 4.02Å; K115-E120 HydrophobicContact CG-CB 4.44Å; K115-E120 HydrophobicContact CG-CG 4.34Å; K115-E120 IonicContact NZ-OE1 3.92Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.34Å
121E97.9Very high97.5Very high143 Ų14366.6 Ų66.667%0.66834%0.341SS*.G310 helixtrans-71.7-24-177.8-60.6-175.7166.300112.6N119 K124N119-E121 VanDerWaalsContact C-N 3.27Å; N119-E121 PolarHBondContact O-N 3.02Å; N119-E121 WeakPolarHBondContact OD1-CB 3.42Å; N119-E121 PolarHBondContact OD1-N 3.01Å; E121-K124 VanDerWaalsContact O-CE 3.22Å; E121-K124 WeakPolarHBondContact O-CE 3.1Å; E121-K124 PolarHBondContact O-NZ 3.15Å
122K98.5Very high97.4Very high51 Ų5167.9 Ų67.922%0.22235%0.347CS..G310 helixtrans-95.1-6.5-175.3-64.1-68.5175.2-174.40113.9E74 I75 Y118 N119 E120E74-K122 WeakPolarHBondContact CA-O 3.44Å; E74-K122 HydrophobicContact CG-CB 4.47Å; E74-K122 HydrophobicContact CG-CD 3.41Å; E74-K122 VanDerWaalsContact CG-CD 3.41Å; E74-K122 IonicContact OE1-NZ 2.87Å; E74-K122 PolarHBondContact OE1-NZ 3.45Å; I75-K122 PolarHBondContact N-O 2.93Å; Y118-K122 HydrophobicContact CD1-CB 4.46Å; Y118-K122 HydrophobicContact CE1-CB 3.87Å; N119-K122 HydrophobicContact CB-CB 4.11Å; N119-K122 HydrophobicContact CB-CG 4.09Å; N119-K122 PolarHBondContact O-N 2.76Å; N119-K122 VanDerWaalsContact O-N 3.15Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.34Å
123V98.7Very high97.4Very high4 Ų467 Ų672%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-105.2105.9174.9-179.30000109I75 I111 L114 K115 Y118 N119I75-V123 HydrophobicContact CD1-CG2 4.33Å; I111-V123 HydrophobicContact CG2-CG1 4.34Å; L114-V123 HydrophobicContact CB-CG1 3.94Å; L114-V123 HydrophobicContact CB-CG2 4.15Å; L114-V123 HydrophobicContact CD1-CG1 4.43Å; K115-V123 HydrophobicContact CG-CB 3.74Å; K115-V123 HydrophobicContact CG-CG1 3.99Å; K115-V123 HydrophobicContact CG-CG2 4.34Å; Y118-V123 HydrophobicContact CD1-CG2 4.15Å; N119-V123 PolarHBondContact O-N 2.77Å
124K98.6Very high97.4Very high72 Ų7267.2 Ų67.231%0.31335%0.349SS..EExtended strand (participates in β ladder)trans-100.2152.8177.7-55.6-52.1-168.8-166.30110.4S21 I23 I75 L76 C77 E121S21-K124 WeakPolarHBondContact OG-CB 3.29Å; I23-K124 HydrophobicContact CG2-CB 3.88Å; I23-K124 HydrophobicContact CG2-CG 3.46Å; I23-K124 VanDerWaalsContact CG2-CG 3.46Å; I75-K124 PolarHBondContact O-N 2.81Å; L76-K124 HydrophobicContact CD1-CB 3.85Å; C77-K124 PolarHBondContact N-O 2.86Å; E121-K124 VanDerWaalsContact O-CE 3.22Å; E121-K124 WeakPolarHBondContact O-CE 3.1Å; E121-K124 PolarHBondContact O-NZ 3.15Å
125D98.2Very high97.4Very high52 Ų5270.4 Ų70.428%0.27837%0.371SS..EExtended strand (participates in β ladder)trans-126.3155.4-178.3-16810.2000109.8S21 C77 Y107S21-D125 WeakPolarHBondContact CB-O 3.21Å; S21-D125 PolarHBondContact OG-O 2.82Å; C77-D125 CarbonylContact O-C 3.6Å; C77-D125 WeakPolarHBondContact O-CA 3.44Å; Y107-D125 VanDerWaalsContact CE1-OD1 3.24Å; Y107-D125 WeakPolarHBondContact CE1-OD1 3.26Å; Y107-D125 WeakPolarHBondContact CE1-OD2 3.14Å; Y107-D125 VanDerWaalsContact CZ-OD1 3.31Å; Y107-D125 PolarHBondContact OH-OD1 2.97Å
126G97.2Very high97.4Very high10 Ų1070.8 Ų70.810%0.10338%0.375CS..  trans-79.4-155.9161.300000111.3C77C77-G126 PolarHBondContact O-N 2.91Å
127I96.5Very high97.4Very high78 Ų7865.7 Ų65.740%0.436%0.356SS..  trans-114.8108.4173.1-61.4-177.6000108.3V15 V20 G129 A130 M132V15-I127 HydrophobicContact CG2-CB 4.49Å; V15-I127 HydrophobicContact CG2-CD1 4.06Å; V20-I127 HydrophobicContact CB-CD1 4Å; V20-I127 HydrophobicContact CB-CG1 4.43Å; V20-I127 HydrophobicContact CG1-CD1 3.78Å; V20-I127 HydrophobicContact CG2-CD1 4.05Å; V20-I127 HydrophobicContact CG2-CG1 4.06Å; I127-G129 PolarHBondContact O-N 3.09Å; I127-A130 HydrophobicContact CB-CB 3.87Å; I127-A130 HydrophobicContact CG2-CB 3.74Å; I127-A130 WeakPolarHBondContact O-CB 3.28Å; I127-A130 PolarHBondContact O-N 3.17Å; I127-A130 VanDerWaalsContact O-N 3.08Å; I127-M132 PolarHBondContact N-SD 3.04Å; I127-M132 VanDerWaalsContact N-SD 3.39Å; I127-M132 WeakPolarHBondContact O-CE 3.39Å
128F96.4Very high97.4Very high56 Ų5663.9 Ų63.925%0.24635%0.346CS..THydrogen-bonded Turntrans-53.9125.6-179-171.9-83.1000111.6S103 K104 Y107 A130S103-F128 WeakPolarHBondContact OG-CZ 3.45Å; K104-F128 HydrophobicContact CB-CD1 3.84Å; K104-F128 HydrophobicContact CB-CE1 3.61Å; K104-F128 HydrophobicContact CB-CG 4.48Å; K104-F128 HydrophobicContact CB-CZ 4.08Å; K104-F128 HydrophobicContact CD-CD1 4.33Å; K104-F128 HydrophobicContact CG-CD1 3.81Å; K104-F128 HydrophobicContact CG-CE1 4.14Å; K104-F128 HydrophobicContact CG-CG 4.25Å; Y107-F128 AromaticContact CD1-CD2 3.59Å; Y107-F128 HydrophobicContact CD1-CD2 3.59Å; Y107-F128 HydrophobicContact CD1-CE2 4.33Å; Y107-F128 HydrophobicContact CD1-CG 4.46Å; Y107-F128 HydrophobicContact CD2-CD2 4.47Å; Y107-F128 HydrophobicContact CE1-CD2 4.21Å; Y107-F128 AromaticContact CG-CD2 3.74Å; Y107-F128 HydrophobicContact CG-CD2 3.74Å; Y107-F128 HydrophobicContact CG-CE2 4.01Å; F128-A130 VanDerWaalsContact C-N 3.26Å; F128-A130 PolarHBondContact O-N 3.1Å
129G91.6Very high97.4Very high68 Ų6863.5 Ų63.570%0.70135%0.347SS*.THydrogen-bonded Turntrans77.8-1.4177.700000115.6I127I127-G129 PolarHBondContact O-N 3.09Å
130A95.2Very high97.2Very high32 Ų3263.8 Ų63.826%0.26436%0.363SS..SBendtrans-79.3153.2171.200000111.3V15 I127 F128 M132V15-A130 HydrophobicContact CG1-CB 4.47Å; V15-A130 HydrophobicContact CG2-CB 4.11Å; I127-A130 HydrophobicContact CB-CB 3.87Å; I127-A130 HydrophobicContact CG2-CB 3.74Å; I127-A130 WeakPolarHBondContact O-CB 3.28Å; I127-A130 PolarHBondContact O-N 3.17Å; I127-A130 VanDerWaalsContact O-N 3.08Å; F128-A130 VanDerWaalsContact C-N 3.26Å; F128-A130 PolarHBondContact O-N 3.1Å; A130-M132 HydrophobicContact CB-CG 4.18Å; A130-M132 WeakPolarHBondContact O-CE 3.49Å
131M96.2Very high97.1Very high143 Ų14362.5 Ų62.570%0.70437%0.365SS*.  trans-72.8125.5160.6-153.6-60.8-82.200107.2
132M97.8Very high97.1Very high32 Ų3256.3 Ų56.316%0.15834%0.337CS..  trans-130.4137.8-170.5-71.7174.5-74.600110.3V13 S14 V15 V78 I127 A130 V134V13-M132 HydrophobicContact CG1-CB 3.86Å; V13-M132 HydrophobicContact CG1-CG 3.68Å; V13-M132 HydrophobicContact CG1-SD 3.61Å; S14-M132 WeakPolarHBondContact O-CA 3.31Å; V15-M132 HydrophobicContact CG2-CG 3.86Å; V78-M132 HydrophobicContact CG1-CE 3.73Å; V78-M132 HydrophobicContact CG1-SD 4.18Å; I127-M132 PolarHBondContact N-SD 3.04Å; I127-M132 VanDerWaalsContact N-SD 3.39Å; I127-M132 WeakPolarHBondContact O-CE 3.39Å; A130-M132 HydrophobicContact CB-CG 4.18Å; A130-M132 WeakPolarHBondContact O-CE 3.49Å; M132-V134 HydrophobicContact CB-CG2 4.37Å
133D98.1Very high97.1Very high81 Ų8157.3 Ų57.343%0.43335%0.348SS..EExtended strand (participates in β ladder)trans-92.1115.4162.7-65.8-44.5000108.8V13 S14V13-D133 WeakPolarHBondContact CA-O 3.48Å; S14-D133 PolarHBondContact N-O 3.32Å; S14-D133 PolarHBondContact O-N 3.3Å
134V98.3Very high97.1Very high48 Ų4860.1 Ų60.129%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-103108179.3-173.70000109.2S12 V13 L28 V78 M132S12-V134 CarbonylContact O-C 3.53Å; S12-V134 WeakPolarHBondContact O-CA 3.24Å; V13-V134 HydrophobicContact CG2-CG2 4.41Å; L28-V134 HydrophobicContact CD1-CG1 4.04Å; L28-V134 HydrophobicContact CD2-CG1 3.78Å; V78-V134 HydrophobicContact CG1-CG2 4.24Å; V78-V134 HydrophobicContact CG2-CG2 4.3Å; M132-V134 HydrophobicContact CB-CG2 4.37Å
135S98.5Very high97Very high66 Ų6661.4 Ų61.446%0.46238%0.376SS..EExtended strand (participates in β ladder)trans-95.2141.5175.9-68.80000110.8A11 S12A11-S135 CarbonylContact C-O 3.59Å; A11-S135 WeakPolarHBondContact CA-O 3.46Å; A11-S135 WeakPolarHBondContact CB-O 3.5Å; S12-S135 PolarHBondContact N-O 2.9Å; S12-S135 PolarHBondContact O-N 3.37Å
136L98.6Very high97Very high64 Ų6459.6 Ų59.634%0.33537%0.366SS..EExtended strand (participates in β ladder)trans-150.4154.6173.667.9149.4000112.6Q6 V8 Q10 A11 L28 N138Q6-L136 HydrophobicContact CB-CD1 4.43Å; V8-L136 HydrophobicContact CG1-CB 4.03Å; V8-L136 HydrophobicContact CG1-CD1 3.97Å; Q10-L136 WeakPolarHBondContact O-CA 3.35Å; A11-L136 HydrophobicContact CB-CB 4Å; L28-L136 HydrophobicContact CD2-CB 4.24Å; L28-L136 HydrophobicContact CD2-CD1 4.12Å; L28-L136 HydrophobicContact CD2-CD2 4.01Å; L28-L136 HydrophobicContact CD2-CG 4.35Å; L136-N138 HydrophobicContact CD1-CB 3.95Å
137I98.7Very high97Very high78 Ų7860.4 Ų60.440%0.437%0.368SS..EExtended strand (participates in β ladder)trans-110.998.5161.3-58.5-176.2000107.3V8 K9 Q10 D139V8-I137 VanDerWaalsContact CA-O 3.3Å; V8-I137 WeakPolarHBondContact CA-O 3.43Å; K9-I137 HydrophobicContact CB-CB 4.25Å; K9-I137 HydrophobicContact CB-CG2 4.14Å; K9-I137 HydrophobicContact CD-CG2 4.11Å; K9-I137 HydrophobicContact CG-CG2 4.31Å; K9-I137 PolarHBondContact N-O 3.14Å; Q10-I137 HydrophobicContact CG-CB 4.18Å; Q10-I137 HydrophobicContact CG-CD1 3.8Å; Q10-I137 HydrophobicContact CG-CG1 3.83Å; Q10-I137 VanDerWaalsContact NE2-CD1 3.32Å; Q10-I137 PolarHBondContact O-N 2.49Å; I137-D139 PolarHBondContact O-N 3.23Å
138N98Very high97Very high41 Ų4157.6 Ų57.622%0.21936%0.355CS..EExtended strand (participates in β ladder)trans-68.1119.5-179.4-163.3-40.2000110.2Q6 R7 L136 G140 P141 V142 T143Q6-N138 PolarHBondContact OE1-ND2 3.49Å; R7-N138 WeakPolarHBondContact O-CA 3.49Å; R7-N138 PolarHBondContact O-OD1 3.16Å; L136-N138 HydrophobicContact CD1-CB 3.95Å; N138-G140 PolarHBondContact O-N 3.02Å; N138-P141 HydrophobicContact CB-CB 4.02Å; N138-P141 VanDerWaalsContact CG-CB 3.41Å; N138-P141 WeakPolarHBondContact OD1-CA 3.29Å; N138-P141 WeakPolarHBondContact OD1-CB 3.24Å; N138-V142 PolarHBondContact OD1-N 3.42Å; N138-T143 PolarHBondContact ND2-OG1 3.46Å
139D97.4Very high96.7Very high32 Ų3258 Ų5817%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-87.890.2-173.1-174.428.3000110.2R7 K9 I137R7-D139 HydrophobicContact CG-CB 4.13Å; R7-D139 IonicContact CZ-OD2 2.8Å; R7-D139 PolarHBondContact NE-O 3.12Å; R7-D139 IonicContact NE-OD2 3.84Å; R7-D139 PolarHBondContact NE-OD2 3.28Å; R7-D139 PolarHBondContact NH2-O 3.09Å; R7-D139 PolarHBondContact O-N 3.46Å; K9-D139 VanDerWaalsContact CE-OD1 3.25Å; K9-D139 WeakPolarHBondContact CE-OD1 3.48Å; K9-D139 HydrophobicContact CG-CB 3.85Å; I137-D139 PolarHBondContact O-N 3.23Å
140G92.5Very high95.6Very high60 Ų6057 Ų5762%0.61934%0.341SS*.EExtended strand (participates in β ladder)trans147.6-68.6177.500000113.7N138N138-G140 PolarHBondContact O-N 3.02Å
141P95.7Very high93.9Very high102 Ų10260.1 Ų60.166%0.66235%0.353SS*.EExtended strand (participates in β ladder)cis-72.3153.5-3.130.9-35.5000113.2N138N138-P141 HydrophobicContact CB-CB 4.02Å; N138-P141 VanDerWaalsContact CG-CB 3.41Å; N138-P141 WeakPolarHBondContact OD1-CA 3.29Å; N138-P141 WeakPolarHBondContact OD1-CB 3.24Å
142V98.4Very high91.8Very high13 Ų1356.8 Ų56.88%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-129.7119.4171.41780000108.8Q6 R7 L54 W64 N138Q6-V142 WeakPolarHBondContact CA-O 3.4Å; R7-V142 HydrophobicContact CB-CB 3.9Å; R7-V142 HydrophobicContact CB-CG1 4.45Å; R7-V142 PolarHBondContact N-O 3.38Å; L54-V142 HydrophobicContact CD2-CG1 4.11Å; W64-V142 HydrophobicContact CH2-CG1 4.08Å; W64-V142 HydrophobicContact CH2-CG2 3.79Å; W64-V142 HydrophobicContact CZ3-CG1 3.89Å; W64-V142 HydrophobicContact CZ3-CG2 4.03Å; N138-V142 PolarHBondContact OD1-N 3.42Å
143T98.6Very high89.2Confident71 Ų7158 Ų5844%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-134.8125.1-179.4-57.70000109.4V4 V5 Q6 N138V4-T143 HydrophobicContact CG1-CG2 3.68Å; V5-T143 CarbonylContact O-C 3.56Å; V5-T143 WeakPolarHBondContact O-CA 3.37Å; Q6-T143 HydrophobicContact CG-CG2 3.95Å; N138-T143 PolarHBondContact ND2-OG1 3.46Å
144I98.2Very high86.4Confident63 Ų6361.8 Ų61.832%0.32336%0.358SS..EExtended strand (participates in β ladder)trans-125.1132.6179.1-57.6-62.3000109.8V5 I52 L54 L146V5-I144 PolarHBondContact N-O 2.95Å; V5-I144 PolarHBondContact O-N 3.32Å; I52-I144 HydrophobicContact CD1-CB 4.09Å; I52-I144 HydrophobicContact CD1-CG1 4.13Å; I52-I144 HydrophobicContact CD1-CG2 3.73Å; L54-I144 HydrophobicContact CD2-CG1 3.72Å; I144-L146 HydrophobicContact CG2-CD2 4.19Å
145T97.9Very high83.7Confident100 Ų10063.9 Ų63.961%0.61337%0.367SS*.EExtended strand (participates in β ladder)trans-94.5131.8171-51.50000109.8A3A3-T145 CarbonylContact O-C 3.52Å; A3-T145 WeakPolarHBondContact O-CA 3.23Å
146L97.5Very high81.3Confident14 Ų1466.3 Ų66.37%0.07337%0.374CS..EExtended strand (participates in β ladder)trans-113.4133173.3-59.1175000108.6R2 A3 V5 I45 K48 I49 I52 I144R2-L146 CarbonylContact C-O 3.58Å; R2-L146 VanDerWaalsContact CA-O 3.29Å; R2-L146 WeakPolarHBondContact CA-O 3.44Å; A3-L146 HydrophobicContact CB-CB 4.3Å; A3-L146 HydrophobicContact CB-CD1 4.48Å; A3-L146 PolarHBondContact N-O 3.34Å; A3-L146 PolarHBondContact O-N 3.29Å; V5-L146 HydrophobicContact CG2-CD1 3.76Å; V5-L146 HydrophobicContact CG2-CG 4.29Å; I45-L146 HydrophobicContact CD1-CB 3.88Å; K48-L146 HydrophobicContact CB-CD1 3.74Å; K48-L146 HydrophobicContact CB-CD2 4.27Å; I49-L146 HydrophobicContact CG1-CD1 4.26Å; I52-L146 HydrophobicContact CD1-CD2 4.38Å; I144-L146 HydrophobicContact CG2-CD2 4.19Å
147D96.9Very high78.8Confident27 Ų2767.2 Ų67.214%0.14438%0.382CS..EExtended strand (participates in β ladder)trans-128130.4168.3-158.7-32.7000107.7R2 Y44 N149R2-D147 HydrophobicContact CG-CB 4.26Å; R2-D147 WeakPolarHBondContact CG-OD2 3.27Å; R2-D147 IonicContact CZ-OD2 3.9Å; R2-D147 IonicContact NE-OD2 3.13Å; R2-D147 PolarHBondContact NE-OD2 2.66Å; R2-D147 IonicContact NH2-OD2 3.33Å; R2-D147 PolarHBondContact NH2-OD2 2.99Å; Y44-D147 WeakPolarHBondContact CE1-O 3.45Å; D147-N149 PolarHBondContact OD1-N 3.14Å
148S96.7Very high76.2Confident18 Ų1869.1 Ų69.113%0.12639%0.391CS..SBendtrans-75.5-14.9174.465.10000112.8M1 D41 P150M1-S148 PolarHBondContact N-OG 2.76Å; M1-S148 PolarHBondContact O-N 2.91Å; M1-S148 PolarHBondContact O-OG 2.98Å; D41-S148 VanDerWaalsContact CB-OG 3.3Å; D41-S148 WeakPolarHBondContact CB-OG 3.43Å; D41-S148 VanDerWaalsContact CG-OG 3.3Å; D41-S148 WeakPolarHBondContact OD1-CB 3.05Å; D41-S148 PolarHBondContact OD1-OG 3.39Å; S148-P150 WeakPolarHBondContact O-CD 3.34Å
149N89.4Confident73.8Confident64 Ų6472.1 Ų72.134%0.34241%0.407SS..  trans-120.878.9174.6-167-20.4000110.6D147 D151 I152D147-N149 PolarHBondContact OD1-N 3.14Å; N149-D151 PolarHBondContact O-N 3.47Å; N149-I152 HydrophobicContact CB-CD1 4.33Å; N149-I152 VanDerWaalsContact ND2-CD1 3.31Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.43Å
150P68Low71.6Confident47 Ų4773.3 Ų73.331%0.30542%0.418SS..Hα-helixtrans-68.4-16.6-175.828.7-35.3000113.6S148 I152 S153 R154S148-P150 WeakPolarHBondContact O-CD 3.34Å; P150-I152 VanDerWaalsContact C-N 3.31Å; P150-I152 PolarHBondContact O-N 3.13Å; P150-S153 PolarHBondContact O-N 2.71Å; P150-S153 PolarHBondContact O-OG 2.71Å; P150-R154 PolarHBondContact O-N 2.82Å
151D59.7Low69.4Low98 Ų9876.4 Ų76.452%0.52442%0.416SS..Hα-helixtrans-78.2-19.3-173.8-63-27.6000112.3N149 R154 N155N149-D151 PolarHBondContact O-N 3.47Å; D151-R154 IonicContact OD1-NH1 2.7Å; D151-N155 PolarHBondContact O-ND2 3.45Å
152I52.4Low67.1Low73 Ų7376.1 Ų76.137%0.37441%0.409SS..Hα-helixtrans-73.6-32.2174.3-62.6175.1000111.5N149 P150N149-I152 HydrophobicContact CB-CD1 4.33Å; N149-I152 VanDerWaalsContact ND2-CD1 3.31Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.43Å; P150-I152 VanDerWaalsContact C-N 3.31Å; P150-I152 PolarHBondContact O-N 3.13Å
153S43Very low64.7Low59 Ų5981.2 Ų81.241%0.41344%0.436SS..Hα-helixtrans-82.8-26.8-178.449.20000113.6P150P150-S153 PolarHBondContact O-N 2.71Å; P150-S153 PolarHBondContact O-OG 2.71Å
154R40.8Very low62.5Low159 Ų15983.3 Ų83.360%0.644%0.444SS*.Hα-helixtrans-75.7-32176-70.4-173.1-178.8121.1-2.6113.7P150 D151 T157P150-R154 PolarHBondContact O-N 2.82Å; D151-R154 IonicContact OD1-NH1 2.7Å; R154-T157 PolarHBondContact O-N 3.35Å
155N41.5Very low60.1Low92 Ų9287.4 Ų87.449%0.49246%0.462SS..Hα-helixtrans-77.7-22.4-176.2-70.3-13000113.7D151 T157 M158 N159D151-N155 PolarHBondContact O-ND2 3.45Å; N155-T157 VanDerWaalsContact C-N 3.33Å; N155-M158 PolarHBondContact O-N 2.93Å; N155-N159 PolarHBondContact O-N 3.16Å; N155-N159 VanDerWaalsContact O-N 3.14Å
156I48.2Very low57.9Low117 Ų11787.6 Ų87.660%0.646%0.463SS*.Hα-helixtrans-69.6-34.3174.4-62.2171.4000110.7S160I156-S160 WeakPolarHBondContact O-CB 3.45Å; I156-S160 PolarHBondContact O-N 2.92Å; I156-S160 PolarHBondContact O-OG 3.41Å
157T45.6Very low55.7Low84 Ų8490.8 Ų90.852%0.51549%0.486SS..Hα-helixtrans-70.2-35.8177.1-40.10000112R154 N155 S160R154-T157 PolarHBondContact O-N 3.35Å; N155-T157 VanDerWaalsContact C-N 3.33Å; T157-S160 PolarHBondContact O-OG 3.21Å
158M44.2Very low53.6Low118 Ų11896 Ų9658%0.58151%0.514SS*.Hα-helixtrans-71-45.7177.9-70.3-176.5169.500112.2N155 S160 Q161 D162N155-M158 PolarHBondContact O-N 2.93Å; M158-S160 VanDerWaalsContact C-N 3.31Å; M158-S160 PolarHBondContact O-N 3.16Å; M158-Q161 PolarHBondContact O-N 3.43Å; M158-Q161 VanDerWaalsContact O-N 3.16Å; M158-D162 PolarHBondContact O-N 3.4Å
159N47.6Very low51.2Low104 Ų104100.3 Ų100.356%0.55654%0.54SS*.Hα-helixtrans-68.6-28.6179.6-71.72000113.2N155 Q161 D162 D163N155-N159 PolarHBondContact O-N 3.16Å; N155-N159 VanDerWaalsContact O-N 3.14Å; N159-Q161 VanDerWaalsContact C-N 3.27Å; N159-Q161 PolarHBondContact O-N 3.23Å; N159-D162 PolarHBondContact O-N 3.48Å; N159-D163 PolarHBondContact O-N 3.45Å
160S50.3Low48.9Very low57 Ų57110.1 Ų110.140%0.39958%0.584SS.*Hα-helixtrans-71.2-19.317563.90000114.2I156 T157 M158 L164I156-S160 WeakPolarHBondContact O-CB 3.45Å; I156-S160 PolarHBondContact O-N 2.92Å; I156-S160 PolarHBondContact O-OG 3.41Å; T157-S160 PolarHBondContact O-OG 3.21Å; M158-S160 VanDerWaalsContact C-N 3.31Å; M158-S160 PolarHBondContact O-N 3.16Å; S160-L164 WeakPolarHBondContact O-CD1 3.34Å
161Q46.8Very low48Very low124 Ų124113.3 Ų113.358%0.57960%0.598SS**Hα-helixtrans-83.4-35.5175.1-73.7-176.7-42.700111.5M158 N159 L164 E165M158-Q161 PolarHBondContact O-N 3.43Å; M158-Q161 VanDerWaalsContact O-N 3.16Å; N159-Q161 VanDerWaalsContact C-N 3.27Å; N159-Q161 PolarHBondContact O-N 3.23Å; Q161-L164 PolarHBondContact O-N 3.28Å; Q161-E165 PolarHBondContact O-N 3.17Å
162D46.9Very low47.4Very low96 Ų96114.1 Ų114.151%0.51360%0.601SS.*Hα-helixtrans-71-30.5177.3-68.7-20000113M158 N159 L164 T166M158-D162 PolarHBondContact O-N 3.4Å; N159-D162 PolarHBondContact O-N 3.48Å; D162-L164 VanDerWaalsContact C-N 3.29Å; D162-L164 PolarHBondContact O-N 3.44Å; D162-T166 PolarHBondContact O-N 3.48Å; D162-T166 PolarHBondContact O-OG1 3.32Å
163D49.4Very low47.1Very low121 Ų121116.3 Ų116.365%0.64761%0.614SS**Hα-helixtrans-74.2-16.9175.8-73.3-22.8000113.3N159N159-D163 PolarHBondContact O-N 3.45Å
164L50.9Low47.3Very low115 Ų115119.7 Ų119.760%0.60263%0.626SS**Hα-helixtrans-90.9-23.6177.3-80.1162.4000113.1S160 Q161 D162 S167 N168S160-L164 WeakPolarHBondContact O-CD1 3.34Å; Q161-L164 PolarHBondContact O-N 3.28Å; D162-L164 VanDerWaalsContact C-N 3.29Å; D162-L164 PolarHBondContact O-N 3.44Å; L164-S167 PolarHBondContact O-OG 3.42Å; L164-N168 PolarHBondContact O-ND2 3.43Å
165E48.1Very low47.7Very low149 Ų149117.3 Ų117.370%0.69663%0.627SS**Hα-helixtrans-83.5-27.2176.9-72.5-168.5164.700112.5Q161Q161-E165 PolarHBondContact O-N 3.17Å
166T52.3Low48.1Very low103 Ų103118.9 Ų118.963%0.63264%0.636SS**THydrogen-bonded Turntrans-80.5-14179.251.40000113.9D162D162-T166 PolarHBondContact O-N 3.48Å; D162-T166 PolarHBondContact O-OG1 3.32Å
167S51.3Low48.1Very low81 Ų81119.1 Ų119.157%0.56664%0.639SS**THydrogen-bonded Turntrans-92.6-4.4177.169.10000115L164L164-S167 PolarHBondContact O-OG 3.42Å
168N52.6Low48.3Very low136 Ų136121.8 Ų121.873%0.72765%0.649SS**SBendtrans-107.315.3-177.6-76.8-31.1000113.9L164L164-N168 PolarHBondContact O-ND2 3.43Å
169T45.8Very low48.7Very low110 Ų110122.1 Ų122.168%0.67565%0.654SS**  trans-130.671.1176.628.60000110.7
170Q42.2Very low48.8Very low269 Ų269123.7 Ų123.7100%1.25766%0.663SS**  trans-161.20160.6-111.5170.85500111.1

Retrieved 170 of 170 residues in 145.1 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).