A0A087XFJ6_POEFO Loading...

Beta-crystallin A2

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB (M3ZHW7), UniProt , Accession A0A087XFJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1M51.2Low54.4Low196 Ų196108.3 Ų108.397%0.96656%0.562SS**  0140.40-78.1176.8-104.900108
2N53Low57.8Low74 Ų7499.9 Ų99.940%0.39652%0.518SS..  trans-73.1138-178.3175.2-1.3000109.9Q4 Q5 M6N2-Q4 PolarHBondContact ND2-OE1 3.13Å; N2-Q4 PolarHBondContact O-N 3.37Å; N2-Q4 VanDerWaalsContact O-N 3.13Å; N2-Q4 PolarHBondContact OD1-N 3.18Å; N2-Q5 HydrophobicContact CB-CG 4.21Å; N2-Q5 VanDerWaalsContact N-OE1 3.13Å; N2-Q5 WeakPolarHBondContact O-CA 3.33Å; N2-Q5 WeakPolarHBondContact O-CB 3.45Å; N2-Q5 PolarHBondContact O-N 2.97Å; N2-M6 PolarHBondContact O-N 3.11Å
3P51.6Low60.8Low89 Ų8999.7 Ų99.758%0.57851%0.506SS*.Hα-helixtrans-46.1-37.4173-31.234.1000115.2Q5 M6 E7P3-Q5 VanDerWaalsContact C-N 3.29Å; P3-Q5 PolarHBondContact O-N 3.47Å; P3-M6 PolarHBondContact O-N 3.09Å; P3-M6 VanDerWaalsContact O-N 3.09Å; P3-E7 PolarHBondContact O-N 3.25Å
4Q51.6Low63.5Low126 Ų12692.6 Ų92.659%0.58947%0.47SS*.Hα-helixtrans-65.2-30175.6-70.5173.6-21.900113.5N2 Q8N2-Q4 PolarHBondContact ND2-OE1 3.13Å; N2-Q4 PolarHBondContact O-N 3.37Å; N2-Q4 VanDerWaalsContact O-N 3.13Å; N2-Q4 PolarHBondContact OD1-N 3.18Å; Q4-Q8 PolarHBondContact O-N 3.31Å
5Q44.9Very low65.8Low109 Ų10986.5 Ų86.551%0.50944%0.439SS..Hα-helixtrans-75.2-30.5173.7-66.6172.5-4000111.2N2 P3 M9N2-Q5 HydrophobicContact CB-CG 4.21Å; N2-Q5 VanDerWaalsContact N-OE1 3.13Å; N2-Q5 WeakPolarHBondContact O-CA 3.33Å; N2-Q5 WeakPolarHBondContact O-CB 3.45Å; N2-Q5 PolarHBondContact O-N 2.97Å; P3-Q5 VanDerWaalsContact C-N 3.29Å; P3-Q5 PolarHBondContact O-N 3.47Å; Q5-M9 WeakPolarHBondContact O-CG 3.41Å; Q5-M9 PolarHBondContact O-N 2.86Å
6M47.8Very low67.9Low126 Ų12681.1 Ų81.162%0.62141%0.412SS*.Hα-helixtrans-74.3-33.6175.4-67.6176.880.800112.2N2 P3 M9N2-M6 PolarHBondContact O-N 3.11Å; P3-M6 PolarHBondContact O-N 3.09Å; P3-M6 VanDerWaalsContact O-N 3.09Å; M6-M9 PolarHBondContact O-N 3.17Å
7E51.8Low69.7Low153 Ų15377.7 Ų77.772%0.71539%0.393SS*.Hα-helixtrans-67.7-38.4172.5-77176.4167.300112.4P3 M9P3-E7 PolarHBondContact O-N 3.25Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.41Å
8Q52.2Low71.2Confident77 Ų7775.8 Ų75.836%0.3638%0.382SS..Hα-helixtrans-66.6-29.3176-76.8-17625.600113.3Q4 G10 Q11Q4-Q8 PolarHBondContact O-N 3.31Å; Q8-G10 PolarHBondContact O-N 3.24Å; Q8-Q11 PolarHBondContact O-N 3.36Å
9M51.1Low72.6Confident81 Ų8177.4 Ų77.440%0.39939%0.388SS..THydrogen-bonded Turntrans-66.3-19.8-177.5-83.3177.853.100114.4Q5 M6 E7 M30Q5-M9 WeakPolarHBondContact O-CG 3.41Å; Q5-M9 PolarHBondContact O-N 2.86Å; M6-M9 PolarHBondContact O-N 3.17Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.41Å; M9-M30 HydrophobicContact CB-SD 4.32Å; M9-M30 HydrophobicContact CE-CE 4.05Å; M9-M30 HydrophobicContact CE-SD 4.21Å
10G59.7Low73.8Confident53 Ų5377.2 Ų77.255%0.54639%0.386SS..THydrogen-bonded Turntrans-93.1-13.717500000114.3Q8 N51Q8-G10 PolarHBondContact O-N 3.24Å; G10-N51 PolarHBondContact O-ND2 3.45Å; G10-N51 VanDerWaalsContact O-ND2 3.11Å
11Q83.6Confident75Confident107 Ų10777.7 Ų77.750%0.539%0.39SS..THydrogen-bonded Turntrans-81.9-31.8-168.8-169177.49.900112.9Q8 N51Q8-Q11 PolarHBondContact O-N 3.36Å; Q11-N51 VanDerWaalsContact O-CB 3.31Å; Q11-N51 WeakPolarHBondContact O-CB 3.31Å
12F95Very high77.2Confident8 Ų870.6 Ų70.64%0.03535%0.354CS..  trans-127.5135.5-177.6-61.4-82.1000110.5M30 N51 G52 W54 P96 K98F12-M30 WeakPolarHBondContact O-CA 3.5Å; F12-N51 WeakPolarHBondContact CA-O 3.28Å; F12-G52 WeakPolarHBondContact CE1-O 3.38Å; F12-W54 HydrophobicContact CB-CH2 4.31Å; F12-W54 HydrophobicContact CB-CZ2 3.51Å; F12-P96 HydrophobicContact CB-CB 4.13Å; F12-P96 HydrophobicContact CD1-CB 3.51Å; F12-P96 HydrophobicContact CD2-CB 3.82Å; F12-P96 HydrophobicContact CD2-CG 4.47Å; F12-P96 HydrophobicContact CE1-CB 3.8Å; F12-P96 HydrophobicContact CE2-CB 4.1Å; F12-P96 HydrophobicContact CG-CB 3.53Å; F12-P96 HydrophobicContact CG-CG 4.47Å; F12-P96 HydrophobicContact CZ-CB 4.09Å; F12-K98 HydrophobicContact CE2-CG 4.27Å; F12-K98 HydrophobicContact CZ-CG 4.39Å
13R97.3Very high79.4Confident97 Ų9772.4 Ų72.437%0.36636%0.36SS..EExtended strand (participates in β ladder)trans-150.4126174.2-164.9174.662-164.7-4.1110.5E28 F29 E50 N51R13-E28 HydrophobicContact CG-CG 3.88Å; R13-F29 WeakPolarHBondContact CA-O 3.31Å; R13-E50 HydrophobicContact CB-CB 4.4Å; R13-E50 WeakPolarHBondContact CG-OE2 3.35Å; R13-E50 IonicContact NE-OE2 3.82Å; R13-E50 PolarHBondContact NE-OE2 2.89Å; R13-E50 PolarHBondContact O-N 3.41Å; R13-E50 VanDerWaalsContact O-N 3.08Å; R13-N51 HydrophobicContact CB-CB 4.32Å; R13-N51 PolarHBondContact N-O 3.39Å; R13-N51 PolarHBondContact O-N 2.74Å
14I98.3Very high81.6Confident0 Ų070.5 Ų70.50%036%0.356CS..EExtended strand (participates in β ladder)trans-133.3134.1174.1-172.4173.2000108.8V16 E28 F29 I47 K48 V49 W54 L69 F94I14-V16 HydrophobicContact CD1-CG1 4.42Å; I14-V16 HydrophobicContact CG1-CG1 4.26Å; I14-E28 WeakPolarHBondContact O-CA 3.38Å; I14-F29 HydrophobicContact CG2-CB 3.76Å; I14-F29 PolarHBondContact N-O 3.37Å; I14-F29 PolarHBondContact O-N 3.35Å; I14-I47 HydrophobicContact CD1-CG2 3.6Å; I14-I47 HydrophobicContact CG1-CG2 3.58Å; I14-K48 CarbonylContact C-O 3.56Å; I14-K48 WeakPolarHBondContact CA-O 3.49Å; I14-V49 HydrophobicContact CD1-CG2 4.12Å; I14-V49 HydrophobicContact CG1-CG2 4.06Å; I14-W54 HydrophobicContact CB-CD2 3.98Å; I14-W54 HydrophobicContact CB-CG 4.32Å; I14-W54 HydrophobicContact CB-CH2 4.5Å; I14-W54 HydrophobicContact CB-CZ2 3.95Å; I14-W54 HydrophobicContact CD1-CB 4.33Å; I14-W54 HydrophobicContact CD1-CD2 4.33Å; I14-W54 HydrophobicContact CD1-CG 4.18Å; I14-W54 HydrophobicContact CG2-CD2 3.74Å; I14-W54 HydrophobicContact CG2-CE3 3.78Å; I14-W54 HydrophobicContact CG2-CH2 3.54Å; I14-W54 HydrophobicContact CG2-CZ2 3.47Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.47Å; I14-W54 HydrophobicContact CG2-CZ3 3.69Å; I14-L69 HydrophobicContact CD1-CD1 3.94Å; I14-F94 HydrophobicContact CG2-CD2 4.15Å; I14-F94 HydrophobicContact CG2-CE2 3.81Å
15T98.5Very high83.8Confident2 Ų268.7 Ų68.71%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-112134.1170.7-52.70000108.9W17 C27 I47 K48 E50T15-W17 VanDerWaalsContact CB-CZ3 3.41Å; T15-W17 HydrophobicContact CG2-CD2 4.29Å; T15-W17 HydrophobicContact CG2-CE3 3.97Å; T15-W17 HydrophobicContact CG2-CH2 3.15Å; T15-W17 HydrophobicContact CG2-CZ2 3.55Å; T15-W17 HydrophobicContact CG2-CZ3 3.4Å; T15-W17 WeakPolarHBondContact O-CZ3 3.47Å; T15-C27 WeakPolarHBondContact CA-O 3.49Å; T15-I47 CarbonylContact O-C 3.57Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; T15-K48 PolarHBondContact N-O 2.84Å; T15-K48 PolarHBondContact O-N 2.92Å; T15-E50 PolarHBondContact OG1-OE1 2.88Å
16V98.4Very high86.3Confident0 Ų070.7 Ų70.70%035%0.349CS..EExtended strand (participates in β ladder)trans-120.8147.6178.8-51.50000110.3I14 R26 C27 F29 F41 I44 I47 F94I14-V16 HydrophobicContact CD1-CG1 4.42Å; I14-V16 HydrophobicContact CG1-CG1 4.26Å; V16-R26 VanDerWaalsContact O-CA 3.25Å; V16-R26 WeakPolarHBondContact O-CA 3.38Å; V16-C27 PolarHBondContact N-O 3.08Å; V16-C27 PolarHBondContact O-N 2.85Å; V16-F29 HydrophobicContact CG2-CD2 4.37Å; V16-F29 HydrophobicContact CG2-CE2 3.7Å; V16-F41 HydrophobicContact CG2-CE1 4.21Å; V16-F41 HydrophobicContact CG2-CZ 4.31Å; V16-I44 HydrophobicContact CB-CD1 3.95Å; V16-I44 HydrophobicContact CB-CG1 4.07Å; V16-I44 HydrophobicContact CB-CG2 4.05Å; V16-I44 HydrophobicContact CG1-CD1 3.96Å; V16-I44 HydrophobicContact CG1-CG2 4.44Å; V16-I44 HydrophobicContact CG2-CD1 4.07Å; V16-I44 HydrophobicContact CG2-CG1 4.18Å; V16-I47 HydrophobicContact CG1-CG1 4.31Å; V16-F94 HydrophobicContact CG1-CE1 4.14Å; V16-F94 HydrophobicContact CG1-CZ 4.19Å
17W98.5Very high88.7Confident23 Ų2366.3 Ų66.39%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-127.6145.6180-74.6-101.2000111.3T15 E19 F22 Q23 K25 R26 R45 S46 K48T15-W17 VanDerWaalsContact CB-CZ3 3.41Å; T15-W17 HydrophobicContact CG2-CD2 4.29Å; T15-W17 HydrophobicContact CG2-CE3 3.97Å; T15-W17 HydrophobicContact CG2-CH2 3.15Å; T15-W17 HydrophobicContact CG2-CZ2 3.55Å; T15-W17 HydrophobicContact CG2-CZ3 3.4Å; T15-W17 WeakPolarHBondContact O-CZ3 3.47Å; W17-E19 VanDerWaalsContact C-N 3.29Å; W17-F22 VanDerWaalsContact CD1-O 3.25Å; W17-F22 HydrophobicContact CD2-CB 4.03Å; W17-F22 HydrophobicContact CD2-CD1 4.36Å; W17-F22 HydrophobicContact CE3-CB 4.42Å; W17-F22 AromaticContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CG-CB 4.4Å; W17-F22 HydrophobicContact CH2-CD1 4.44Å; W17-F22 HydrophobicContact CZ2-CB 4.15Å; W17-F22 AromaticContact CZ3-CD1 3.98Å; W17-F22 HydrophobicContact CZ3-CD1 3.98Å; W17-F22 PolarHBondContact NE1-O 3.02Å; W17-Q23 WeakPolarHBondContact CB-O 3.39Å; W17-K25 WeakPolarHBondContact CA-O 3.41Å; W17-R26 VanDerWaalsContact CD1-CB 3.42Å; W17-R26 HydrophobicContact CD2-CB 4.12Å; W17-R26 HydrophobicContact CG-CB 3.91Å; W17-R45 PolarHBondContact O-N 2.89Å; W17-S46 WeakPolarHBondContact CB-OG 3.39Å; W17-S46 PolarHBondContact N-O 2.94Å; W17-S46 PolarHBondContact O-N 3.03Å; W17-K48 HydrophobicContact CH2-CB 4.01Å; W17-K48 HydrophobicContact CH2-CD 3.74Å; W17-K48 HydrophobicContact CH2-CG 3.74Å; W17-K48 HydrophobicContact CZ3-CB 3.76Å; W17-K48 HydrophobicContact CZ3-CD 4.14Å; W17-K48 HydrophobicContact CZ3-CG 3.58Å
18E96.9Very high90.8Very high44 Ų4463.4 Ų63.421%0.20632%0.318CS..SBendtrans-74.6-20178.7-170.2166.4-158.300112.9K25 F41 K43 R45E18-K25 HydrophobicContact CB-CB 4.16Å; E18-K25 PolarHBondContact N-O 3.14Å; E18-K25 WeakPolarHBondContact OE2-CB 3.41Å; E18-F41 HydrophobicContact CB-CD1 4.12Å; E18-F41 HydrophobicContact CB-CE1 4.19Å; E18-K43 HydrophobicContact CG-CG 3.89Å; E18-K43 VanDerWaalsContact O-CE 3.31Å; E18-K43 WeakPolarHBondContact O-CE 3.49Å; E18-R45 WeakPolarHBondContact O-CB 3.37Å; E18-R45 WeakPolarHBondContact O-CG 3.36Å
19E97.7Very high93Very high105 Ų10560.4 Ų60.449%0.49130%0.303SS..SBendtrans-118.5163.9176.8-59.5-178.7-178.500112.3W17 Q23 S46W17-E19 VanDerWaalsContact C-N 3.29Å; E19-Q23 HydrophobicContact CB-CB 4.02Å; E19-Q23 WeakPolarHBondContact CB-O 3.49Å; E19-Q23 PolarHBondContact N-O 2.75Å; E19-S46 PolarHBondContact O-N 3.44Å; E19-S46 PolarHBondContact O-OG 3.36Å
20E97.7Very high95.1Very high74 Ų7459.9 Ų59.935%0.34630%0.301SS..G310 helixtrans-68.3163.1175.8-65.1-176.6178.700110.8F22 Q23 R45 P75 R76E20-F22 PolarHBondContact O-N 3.46Å; E20-Q23 PolarHBondContact O-N 2.81Å; E20-R45 HydrophobicContact CG-CB 4.03Å; E20-P75 CarbonylContact C-O 3.6Å; E20-P75 WeakPolarHBondContact CA-O 3.43Å; E20-P75 WeakPolarHBondContact CB-O 3.34Å; E20-R76 HydrophobicContact CG-CB 4.27Å
21N98.2Very high96.8Very high88 Ų8862.3 Ų62.347%0.47130%0.301SS..G310 helixtrans5535.2176.7-51.4-66.7000113.6Q23 P75N21-Q23 PolarHBondContact O-N 3.28Å; N21-Q23 PolarHBondContact O-NE2 3.18Å; N21-P75 PolarHBondContact N-O 2.99Å
22F98.3Very high97.5Very high47 Ų4761.5 Ų61.521%0.20630%0.297CS..G310 helixtrans62.938.6173.3-37.2-65.7000113.7W17 E20 S46 I47 K48 D73 P75W17-F22 VanDerWaalsContact CD1-O 3.25Å; W17-F22 HydrophobicContact CD2-CB 4.03Å; W17-F22 HydrophobicContact CD2-CD1 4.36Å; W17-F22 HydrophobicContact CE3-CB 4.42Å; W17-F22 AromaticContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CG-CB 4.4Å; W17-F22 HydrophobicContact CH2-CD1 4.44Å; W17-F22 HydrophobicContact CZ2-CB 4.15Å; W17-F22 AromaticContact CZ3-CD1 3.98Å; W17-F22 HydrophobicContact CZ3-CD1 3.98Å; W17-F22 PolarHBondContact NE1-O 3.02Å; E20-F22 PolarHBondContact O-N 3.46Å; F22-S46 VanDerWaalsContact CA-OG 3.26Å; F22-S46 WeakPolarHBondContact CA-OG 3.42Å; F22-S46 PolarHBondContact N-OG 2.93Å; F22-I47 WeakPolarHBondContact CE1-O 3.27Å; F22-K48 HydrophobicContact CD1-CD 4.24Å; F22-K48 HydrophobicContact CD1-CG 3.72Å; F22-K48 HydrophobicContact CE1-CD 4.32Å; F22-K48 HydrophobicContact CE1-CG 3.56Å; F22-K48 VanDerWaalsContact CG-CE 3.49Å; F22-K48 HydrophobicContact CG-CG 4.48Å; F22-K48 HydrophobicContact CZ-CG 4.2Å; F22-D73 HydrophobicContact CZ-CB 3.84Å; F22-P75 HydrophobicContact CE2-CB 4.25Å; F22-P75 HydrophobicContact CZ-CB 3.99Å
23Q98.2Very high97.6Very high111 Ų11161.2 Ų61.252%0.51930%0.296SS..  trans-109.5170.3-179.1-58-53.6-55.100113.1W17 E19 E20 N21W17-Q23 WeakPolarHBondContact CB-O 3.39Å; E19-Q23 HydrophobicContact CB-CB 4.02Å; E19-Q23 WeakPolarHBondContact CB-O 3.49Å; E19-Q23 PolarHBondContact N-O 2.75Å; E20-Q23 PolarHBondContact O-N 2.81Å; N21-Q23 PolarHBondContact O-N 3.28Å; N21-Q23 PolarHBondContact O-NE2 3.18Å
24G97.3Very high97.7Very high49 Ų4960.9 Ų60.951%0.50530%0.298SS..SBendtrans72.3-156.1177.300000113.7R26G24-R26 PolarHBondContact O-N 3.22Å
25K97.6Very high97.6Very high89 Ų8962.3 Ų62.339%0.38731%0.306SS..SBendtrans-60.8133.2178.4-176.7179172.6178.30109.9W17 E18 R39 G40 F41W17-K25 WeakPolarHBondContact CA-O 3.41Å; E18-K25 HydrophobicContact CB-CB 4.16Å; E18-K25 PolarHBondContact N-O 3.14Å; E18-K25 WeakPolarHBondContact OE2-CB 3.41Å; K25-R39 PolarHBondContact NZ-O 3.19Å; K25-G40 PolarHBondContact NZ-O 3.26Å; K25-F41 HydrophobicContact CB-CE1 4.43Å; K25-F41 HydrophobicContact CD-CE1 4.46Å; K25-F41 HydrophobicContact CD-CE2 4.21Å; K25-F41 HydrophobicContact CD-CZ 4.16Å; K25-F41 HydrophobicContact CG-CE1 4.15Å; K25-F41 HydrophobicContact CG-CE2 4.29Å; K25-F41 HydrophobicContact CG-CZ 3.81Å; K25-F41 WeakPolarHBondContact O-CE1 3.26Å
26R97.7Very high97.6Very high150 Ų15062.3 Ų62.357%0.56631%0.306SS*.EExtended strand (participates in β ladder)trans-128.5152177.984.7178.9-177.597.11.2112.6V16 W17 G24V16-R26 VanDerWaalsContact O-CA 3.25Å; V16-R26 WeakPolarHBondContact O-CA 3.38Å; W17-R26 VanDerWaalsContact CD1-CB 3.42Å; W17-R26 HydrophobicContact CD2-CB 4.12Å; W17-R26 HydrophobicContact CG-CB 3.91Å; G24-R26 PolarHBondContact O-N 3.22Å
27C98Very high97.5Very high35 Ų3567.1 Ų67.124%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-148.1140.2174.1-171.50000110.1T15 V16 F29 F41T15-C27 WeakPolarHBondContact CA-O 3.49Å; V16-C27 PolarHBondContact N-O 3.08Å; V16-C27 PolarHBondContact O-N 2.85Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.16Å; C27-F41 HydrophobicContact CB-CE2 3.41Å; C27-F41 VanDerWaalsContact CB-CE2 3.41Å; C27-F41 HydrophobicContact CB-CZ 3.54Å
28E97.6Very high97.3Very high92 Ų9272.2 Ų72.243%0.4335%0.354SS..EExtended strand (participates in β ladder)trans-103140.4178.9-175.4-177.9103.500109.5R13 I14R13-E28 HydrophobicContact CG-CG 3.88Å; I14-E28 WeakPolarHBondContact O-CA 3.38Å
29F97Very high97.1Very high14 Ų1475.7 Ų75.76%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-130.5135.4-179.1-61.1-101.8000110.5R13 I14 V16 C27 C33 R39 W54 F94R13-F29 WeakPolarHBondContact CA-O 3.31Å; I14-F29 HydrophobicContact CG2-CB 3.76Å; I14-F29 PolarHBondContact N-O 3.37Å; I14-F29 PolarHBondContact O-N 3.35Å; V16-F29 HydrophobicContact CG2-CD2 4.37Å; V16-F29 HydrophobicContact CG2-CE2 3.7Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.16Å; F29-C33 HydrophobicContact CD1-CB 3.95Å; F29-C33 HydrophobicContact CE1-CB 3.75Å; F29-R39 HydrophobicContact CE1-CG 3.81Å; F29-R39 HydrophobicContact CZ-CB 4.28Å; F29-R39 HydrophobicContact CZ-CG 3.82Å; F29-W54 HydrophobicContact CB-CH2 4.34Å; F29-F94 HydrophobicContact CB-CE2 3.81Å; F29-F94 HydrophobicContact CB-CZ 4.32Å; F29-F94 AromaticContact CD1-CE2 3.93Å; F29-F94 HydrophobicContact CD1-CE2 3.93Å; F29-F94 AromaticContact CD1-CZ 3.85Å; F29-F94 HydrophobicContact CD1-CZ 3.85Å; F29-F94 AromaticContact CD2-CE2 3.92Å; F29-F94 HydrophobicContact CD2-CE2 3.92Å; F29-F94 AromaticContact CD2-CZ 3.54Å; F29-F94 HydrophobicContact CD2-CZ 3.54Å; F29-F94 HydrophobicContact CE1-CE2 4.46Å; F29-F94 AromaticContact CE1-CZ 3.95Å; F29-F94 HydrophobicContact CE1-CZ 3.95Å; F29-F94 HydrophobicContact CE2-CE2 4.47Å; F29-F94 AromaticContact CE2-CZ 3.67Å; F29-F94 HydrophobicContact CE2-CZ 3.67Å; F29-F94 AromaticContact CG-CE2 3.63Å; F29-F94 HydrophobicContact CG-CE2 3.63Å; F29-F94 AromaticContact CG-CZ 3.64Å; F29-F94 HydrophobicContact CG-CZ 3.64Å; F29-F94 AromaticContact CZ-CZ 3.86Å; F29-F94 HydrophobicContact CZ-CZ 3.86Å
30M96Very high97Very high70 Ų7072.6 Ų72.635%0.34536%0.361SS..SBendtrans-111.1-7.5170.8-63.6172.5-76.700112M9 F12M9-M30 HydrophobicContact CB-SD 4.32Å; M9-M30 HydrophobicContact CE-CE 4.05Å; M9-M30 HydrophobicContact CE-SD 4.21Å; F12-M30 WeakPolarHBondContact O-CA 3.5Å
31L95.4Very high96.9Very high104 Ų10469.1 Ų69.155%0.54535%0.345SS..SBendtrans-132.7172.1-179-62.2176.6000109.5W54L31-W54 WeakPolarHBondContact O-CZ3 3.44Å
32E97.4Very high96.7Very high89 Ų8970.7 Ų70.742%0.41635%0.354SS..  trans-58.6150.2174.765-173.1-133.900113.6Q34 F62 F94 R95E32-Q34 PolarHBondContact OE1-NE2 3.04Å; E32-F62 HydrophobicContact CB-CE1 4.27Å; E32-F62 HydrophobicContact CB-CZ 3.9Å; E32-F62 HydrophobicContact CG-CZ 4.16Å; E32-F94 CarbonylContact C-O 3.53Å; E32-F94 WeakPolarHBondContact CA-O 3.19Å; E32-R95 HydrophobicContact CB-CB 3.58Å
33C98Very high96.5Very high2 Ų272.7 Ų72.71%0.01436%0.362CS..BIsolated β-bridgetrans-126110.9171.6-176.90000108.1F29 S93 F94F29-C33 HydrophobicContact CD1-CB 3.95Å; F29-C33 HydrophobicContact CE1-CB 3.75Å; C33-S93 CarbonylContact O-C 3.51Å; C33-S93 WeakPolarHBondContact O-CA 3.47Å; C33-S93 WeakPolarHBondContact O-CB 3.36Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.23Å; C33-F94 HydrophobicContact CB-CE1 3.97Å; C33-F94 HydrophobicContact CB-CE2 3.73Å; C33-F94 HydrophobicContact CB-CZ 3.57Å; C33-F94 PolarHBondContact N-O 3.21Å; C33-F94 PolarHBondContact O-N 2.98Å
34Q98.1Very high96.5Very high91 Ų9167.4 Ų67.443%0.42534%0.338SS..SBendtrans-76.5-24.7-179.7-69.3179.723.300112.6E32 P60 E61 F62 S93E32-Q34 PolarHBondContact OE1-NE2 3.04Å; Q34-P60 CarbonylContact O-C 3.57Å; Q34-P60 VanDerWaalsContact O-CA 3.29Å; Q34-P60 WeakPolarHBondContact O-CA 3.46Å; Q34-E61 PolarHBondContact O-N 2.91Å; Q34-F62 HydrophobicContact CB-CZ 4.39Å; Q34-F62 HydrophobicContact CG-CE1 4.19Å; Q34-F62 HydrophobicContact CG-CE2 3.68Å; Q34-F62 HydrophobicContact CG-CZ 3.41Å; Q34-F62 VanDerWaalsContact CG-CZ 3.41Å; Q34-S93 VanDerWaalsContact O-CB 3.23Å; Q34-S93 WeakPolarHBondContact O-CB 2.96Å
35N98.1Very high96.5Very high30 Ų3067.6 Ų67.616%0.1632%0.323CS..  trans-156115.9177.4-171.9-12.5000110.7M37 E38 P60 L92N35-M37 WeakPolarHBondContact ND2-CE 3.25Å; N35-M37 PolarHBondContact O-N 2.9Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.35Å; N35-M37 WeakPolarHBondContact OD1-CE 3.48Å; N35-M37 WeakPolarHBondContact OD1-CG 3.4Å; N35-M37 PolarHBondContact OD1-N 3.18Å; N35-E38 HydrophobicContact CB-CG 4.12Å; N35-E38 WeakPolarHBondContact O-CB 3.39Å; N35-E38 PolarHBondContact O-N 2.85Å; N35-P60 HydrophobicContact CB-CB 4.22Å; N35-L92 WeakPolarHBondContact CA-O 3.22Å
36I97.6Very high96.5Very high1 Ų163.3 Ų63.31%0.00531%0.305CS..G310 helixtrans-64.1-23-179.165.9164.5000112.9E38 R39 G40 F41 I44 L92 F94I36-E38 PolarHBondContact O-N 3.43Å; I36-R39 CarbonylContact O-C 3.48Å; I36-R39 WeakPolarHBondContact O-CA 3.48Å; I36-R39 WeakPolarHBondContact O-CB 3.38Å; I36-R39 PolarHBondContact O-N 3.07Å; I36-G40 PolarHBondContact O-N 2.8Å; I36-F41 HydrophobicContact CB-CB 4.04Å; I36-F41 HydrophobicContact CD1-CB 3.98Å; I36-F41 HydrophobicContact CG1-CB 4.21Å; I36-F41 PolarHBondContact O-N 2.93Å; I36-F41 VanDerWaalsContact O-N 3.12Å; I36-I44 HydrophobicContact CD1-CD1 4.29Å; I36-I44 HydrophobicContact CD1-CG1 4.02Å; I36-I44 HydrophobicContact CG2-CD1 3.68Å; I36-I44 HydrophobicContact CG2-CG1 4.47Å; I36-L92 HydrophobicContact CD1-CD2 3.59Å; I36-L92 HydrophobicContact CG1-CD2 3.88Å; I36-L92 WeakPolarHBondContact CG2-O 3.49Å; I36-L92 PolarHBondContact N-O 3.47Å; I36-F94 HydrophobicContact CG2-CD1 4.42Å; I36-F94 HydrophobicContact CG2-CE1 3.87Å
37M96.3Very high96.5Very high101 Ų10156.2 Ų56.250%0.49828%0.278SS..G310 helixtrans-65.1-28.7178.7-63.3-174.8-7400111.6N35 R39 G40 F41N35-M37 WeakPolarHBondContact ND2-CE 3.25Å; N35-M37 PolarHBondContact O-N 2.9Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.35Å; N35-M37 WeakPolarHBondContact OD1-CE 3.48Å; N35-M37 WeakPolarHBondContact OD1-CG 3.4Å; N35-M37 PolarHBondContact OD1-N 3.18Å; M37-R39 PolarHBondContact O-N 3.03Å; M37-G40 WeakPolarHBondContact O-CA 3.46Å; M37-G40 PolarHBondContact O-N 2.95Å; M37-F41 WeakPolarHBondContact CA-O 3.36Å
38E94.9Very high96.6Very high131 Ų13157.1 Ų57.161%0.61228%0.278SS*.G310 helixtrans-68.2-16.2173.6-62.7176.5-173.500113N35 I36N35-E38 HydrophobicContact CB-CG 4.12Å; N35-E38 WeakPolarHBondContact O-CB 3.39Å; N35-E38 PolarHBondContact O-N 2.85Å; I36-E38 PolarHBondContact O-N 3.43Å
39R93.1Very high96.6Very high117 Ų11752.9 Ų52.944%0.44226%0.258SS..G310 helixtrans-99.68.1171.5-57.7-66-174.3-84.4-3.1111.4K25 F29 I36 M37 F41K25-R39 PolarHBondContact NZ-O 3.19Å; F29-R39 HydrophobicContact CE1-CG 3.81Å; F29-R39 HydrophobicContact CZ-CB 4.28Å; F29-R39 HydrophobicContact CZ-CG 3.82Å; I36-R39 CarbonylContact O-C 3.48Å; I36-R39 WeakPolarHBondContact O-CA 3.48Å; I36-R39 WeakPolarHBondContact O-CB 3.38Å; I36-R39 PolarHBondContact O-N 3.07Å; M37-R39 PolarHBondContact O-N 3.03Å; R39-F41 VanDerWaalsContact C-N 3.33Å; R39-F41 HydrophobicContact CB-CD2 3.98Å; R39-F41 HydrophobicContact CB-CE2 4.39Å; R39-F41 WeakPolarHBondContact O-CD2 3.48Å
40G95Very high96.6Very high39 Ų3954.2 Ų54.240%0.40227%0.265SS..THydrogen-bonded Turntrans68.427.6-178.800000113.6K25 I36 M37K25-G40 PolarHBondContact NZ-O 3.26Å; I36-G40 PolarHBondContact O-N 2.8Å; M37-G40 WeakPolarHBondContact O-CA 3.46Å; M37-G40 PolarHBondContact O-N 2.95Å
41F96.3Very high96.5Very high1 Ų153.7 Ų53.70%0.00426%0.263CS..  trans-97.1135.7170.3-75.9-103.7000109.3V16 E18 K25 C27 I36 M37 R39V16-F41 HydrophobicContact CG2-CE1 4.21Å; V16-F41 HydrophobicContact CG2-CZ 4.31Å; E18-F41 HydrophobicContact CB-CD1 4.12Å; E18-F41 HydrophobicContact CB-CE1 4.19Å; K25-F41 HydrophobicContact CB-CE1 4.43Å; K25-F41 HydrophobicContact CD-CE1 4.46Å; K25-F41 HydrophobicContact CD-CE2 4.21Å; K25-F41 HydrophobicContact CD-CZ 4.16Å; K25-F41 HydrophobicContact CG-CE1 4.15Å; K25-F41 HydrophobicContact CG-CE2 4.29Å; K25-F41 HydrophobicContact CG-CZ 3.81Å; K25-F41 WeakPolarHBondContact O-CE1 3.26Å; C27-F41 HydrophobicContact CB-CE2 3.41Å; C27-F41 VanDerWaalsContact CB-CE2 3.41Å; C27-F41 HydrophobicContact CB-CZ 3.54Å; I36-F41 HydrophobicContact CB-CB 4.04Å; I36-F41 HydrophobicContact CD1-CB 3.98Å; I36-F41 HydrophobicContact CG1-CB 4.21Å; I36-F41 PolarHBondContact O-N 2.93Å; I36-F41 VanDerWaalsContact O-N 3.12Å; M37-F41 WeakPolarHBondContact CA-O 3.36Å; R39-F41 VanDerWaalsContact C-N 3.33Å; R39-F41 HydrophobicContact CB-CD2 3.98Å; R39-F41 HydrophobicContact CB-CE2 4.39Å; R39-F41 WeakPolarHBondContact O-CD2 3.48Å
42N92.6Very high96.4Very high122 Ų12249 Ų4965%0.65224%0.24SC*.SBendtrans-94.2-20.4171.2-61.3-49.4000112.2
43K94.9Very high96.4Very high88 Ų8844.8 Ų44.838%0.38322%0.22SC..  trans-158155.9-177.261.2-169.5-177.6178.60110.2E18 R45E18-K43 HydrophobicContact CG-CG 3.89Å; E18-K43 VanDerWaalsContact O-CE 3.31Å; E18-K43 WeakPolarHBondContact O-CE 3.49Å; K43-R45 HydrophobicContact CD-CG 4.12Å; K43-R45 HydrophobicContact CG-CG 4.18Å
44I97.4Very high96.4Very high1 Ų144.7 Ų44.71%0.00522%0.219CC..  trans-114.5129.5165.9-67.5171.4000107.1V16 I36 I47 W80 F94V16-I44 HydrophobicContact CB-CD1 3.95Å; V16-I44 HydrophobicContact CB-CG1 4.07Å; V16-I44 HydrophobicContact CB-CG2 4.05Å; V16-I44 HydrophobicContact CG1-CD1 3.96Å; V16-I44 HydrophobicContact CG1-CG2 4.44Å; V16-I44 HydrophobicContact CG2-CD1 4.07Å; V16-I44 HydrophobicContact CG2-CG1 4.18Å; I36-I44 HydrophobicContact CD1-CD1 4.29Å; I36-I44 HydrophobicContact CD1-CG1 4.02Å; I36-I44 HydrophobicContact CG2-CD1 3.68Å; I36-I44 HydrophobicContact CG2-CG1 4.47Å; I44-I47 HydrophobicContact CG2-CD1 3.88Å; I44-I47 HydrophobicContact CG2-CG1 3.54Å; I44-W80 HydrophobicContact CG2-CH2 4.47Å; I44-F94 HydrophobicContact CD1-CD1 4.24Å; I44-F94 HydrophobicContact CD1-CE1 3.84Å
45R97Very high96.4Very high52 Ų5240.3 Ų40.320%0.19620%0.199CC..  trans-123.7-19.1-176.7-69.7-72.3173.4170.3-7.9113.2W17 E18 E20 K43 R76 W80 E89W17-R45 PolarHBondContact O-N 2.89Å; E18-R45 WeakPolarHBondContact O-CB 3.37Å; E18-R45 WeakPolarHBondContact O-CG 3.36Å; E20-R45 HydrophobicContact CG-CB 4.03Å; K43-R45 HydrophobicContact CD-CG 4.12Å; K43-R45 HydrophobicContact CG-CG 4.18Å; R45-R76 VanDerWaalsContact O-CA 3.29Å; R45-R76 WeakPolarHBondContact O-CA 3.46Å; R45-W80 WeakPolarHBondContact O-CH2 3.44Å; R45-E89 IonicContact CZ-OE2 2.75Å; R45-E89 IonicContact NH1-OE1 3.92Å; R45-E89 IonicContact NH1-OE2 3.84Å; R45-E89 PolarHBondContact NH1-OE2 3.13Å; R45-E89 IonicContact NH2-OE2 2.69Å; R45-E89 PolarHBondContact NH2-OE2 3.44Å
46S98.3Very high96.4Very high0 Ų038.9 Ų38.90%019%0.191CC..EExtended strand (participates in β ladder)trans-148.7154.1166.3580000111.7W17 E19 F22 Y74 P75W17-S46 WeakPolarHBondContact CB-OG 3.39Å; W17-S46 PolarHBondContact N-O 2.94Å; W17-S46 PolarHBondContact O-N 3.03Å; E19-S46 PolarHBondContact O-N 3.44Å; E19-S46 PolarHBondContact O-OG 3.36Å; F22-S46 VanDerWaalsContact CA-OG 3.26Å; F22-S46 WeakPolarHBondContact CA-OG 3.42Å; F22-S46 PolarHBondContact N-OG 2.93Å; S46-Y74 CarbonylContact C-O 3.56Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.31Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.22Å; S46-P75 WeakPolarHBondContact CB-O 3.29Å
47I98.5Very high96.4Very high0 Ų039.3 Ų39.30%019%0.193CC..EExtended strand (participates in β ladder)trans-139.1140.8-171.7-58.3173.2000109.1I14 T15 V16 F22 I44 V49 L69 Y74 W80 M91I14-I47 HydrophobicContact CD1-CG2 3.6Å; I14-I47 HydrophobicContact CG1-CG2 3.58Å; T15-I47 CarbonylContact O-C 3.57Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; V16-I47 HydrophobicContact CG1-CG1 4.31Å; F22-I47 WeakPolarHBondContact CE1-O 3.27Å; I44-I47 HydrophobicContact CG2-CD1 3.88Å; I44-I47 HydrophobicContact CG2-CG1 3.54Å; I47-V49 HydrophobicContact CG2-CG2 4.09Å; I47-L69 HydrophobicContact CD1-CD1 4.09Å; I47-L69 HydrophobicContact CD1-CD2 4.19Å; I47-Y74 HydrophobicContact CB-CD2 4.38Å; I47-Y74 HydrophobicContact CG2-CD2 4.39Å; I47-Y74 PolarHBondContact N-O 3.16Å; I47-Y74 WeakPolarHBondContact O-CA 3.35Å; I47-Y74 WeakPolarHBondContact O-CB 3.14Å; I47-Y74 PolarHBondContact O-N 3.21Å; I47-W80 HydrophobicContact CD1-CD2 4.2Å; I47-W80 HydrophobicContact CD1-CE3 4.04Å; I47-W80 HydrophobicContact CD1-CH2 4.39Å; I47-W80 HydrophobicContact CD1-CZ3 4.15Å; I47-W80 HydrophobicContact CG1-CE3 4.41Å; I47-W80 HydrophobicContact CG1-CH2 4.48Å; I47-W80 HydrophobicContact CG1-CZ3 4.14Å; I47-M91 HydrophobicContact CD1-CE 3.7Å; I47-M91 HydrophobicContact CD1-SD 3.57Å; I47-M91 VanDerWaalsContact CD1-SD 3.57Å
48K98.6Very high96.3Very high54 Ų5434.8 Ų34.824%0.23517%0.171CC..EExtended strand (participates in β ladder)trans-120.5128.4162.7-65.9-168.7179.5-124.20108.3I14 T15 W17 F22 D73I14-K48 CarbonylContact C-O 3.56Å; I14-K48 WeakPolarHBondContact CA-O 3.49Å; T15-K48 PolarHBondContact N-O 2.84Å; T15-K48 PolarHBondContact O-N 2.92Å; W17-K48 HydrophobicContact CH2-CB 4.01Å; W17-K48 HydrophobicContact CH2-CD 3.74Å; W17-K48 HydrophobicContact CH2-CG 3.74Å; W17-K48 HydrophobicContact CZ3-CB 3.76Å; W17-K48 HydrophobicContact CZ3-CD 4.14Å; W17-K48 HydrophobicContact CZ3-CG 3.58Å; F22-K48 HydrophobicContact CD1-CD 4.24Å; F22-K48 HydrophobicContact CD1-CG 3.72Å; F22-K48 HydrophobicContact CE1-CD 4.32Å; F22-K48 HydrophobicContact CE1-CG 3.56Å; F22-K48 VanDerWaalsContact CG-CE 3.49Å; F22-K48 HydrophobicContact CG-CG 4.48Å; F22-K48 HydrophobicContact CZ-CG 4.2Å; K48-D73 WeakPolarHBondContact CD-OD1 3.45Å; K48-D73 WeakPolarHBondContact CG-OD1 3.47Å; K48-D73 VanDerWaalsContact NZ-CG 3.33Å; K48-D73 IonicContact NZ-OD1 2.84Å; K48-D73 PolarHBondContact NZ-OD1 3.42Å; K48-D73 IonicContact NZ-OD2 3.71Å; K48-D73 PolarHBondContact NZ-OD2 2.86Å
49V98.1Very high96.4Very high3 Ų332.8 Ų32.82%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-105.5103171.4179.90000106.6I14 I47 L69 E70 K71 G72 Y74I14-V49 HydrophobicContact CD1-CG2 4.12Å; I14-V49 HydrophobicContact CG1-CG2 4.06Å; I47-V49 HydrophobicContact CG2-CG2 4.09Å; V49-L69 HydrophobicContact CG2-CB 3.98Å; V49-E70 VanDerWaalsContact CB-O 3.28Å; V49-E70 WeakPolarHBondContact CB-O 3.35Å; V49-K71 WeakPolarHBondContact O-CA 3.31Å; V49-K71 WeakPolarHBondContact O-CG 3.06Å; V49-G72 PolarHBondContact N-O 3.38Å; V49-G72 PolarHBondContact O-N 2.85Å; V49-Y74 HydrophobicContact CG2-CD2 4.46Å; V49-Y74 HydrophobicContact CG2-CE2 3.96Å
50E96.6Very high96.6Very high43 Ų4328.8 Ų28.820%0.20115%0.147CC..EExtended strand (participates in β ladder)trans-79.2-40.8177.1-56.687.217400111.2R13 T15 K71R13-E50 HydrophobicContact CB-CB 4.4Å; R13-E50 WeakPolarHBondContact CG-OE2 3.35Å; R13-E50 IonicContact NE-OE2 3.82Å; R13-E50 PolarHBondContact NE-OE2 2.89Å; R13-E50 PolarHBondContact O-N 3.41Å; R13-E50 VanDerWaalsContact O-N 3.08Å; T15-E50 PolarHBondContact OG1-OE1 2.88Å; E50-K71 WeakPolarHBondContact O-CD 3.4Å; E50-K71 VanDerWaalsContact O-CE 3.31Å; E50-K71 WeakPolarHBondContact O-CE 3.24Å
51N94.9Very high96.8Very high58 Ų5833.2 Ų33.231%0.3116%0.158SC..EExtended strand (participates in β ladder)trans-133.3119.8174.6-66-14.4000109.4G10 Q11 F12 R13 W54G10-N51 PolarHBondContact O-ND2 3.45Å; G10-N51 VanDerWaalsContact O-ND2 3.11Å; Q11-N51 VanDerWaalsContact O-CB 3.31Å; Q11-N51 WeakPolarHBondContact O-CB 3.31Å; F12-N51 WeakPolarHBondContact CA-O 3.28Å; R13-N51 HydrophobicContact CB-CB 4.32Å; R13-N51 PolarHBondContact N-O 3.39Å; R13-N51 PolarHBondContact O-N 2.74Å; N51-W54 PolarHBondContact O-NE1 3.23Å
52G93.1Very high96.8Very high5 Ų534.4 Ų34.45%0.05216%0.163CC..  trans-120.8-165.2-172.500000113.4F12F12-G52 WeakPolarHBondContact CE1-O 3.38Å
53P97Very high97Very high1 Ų132 Ų321%0.00615%0.147CC..  cis-88.8158.2-4.625.6-13.4000112.1I68 E70 I97 A100 I194 Q195P53-I68 HydrophobicContact CB-CD1 4.44Å; P53-E70 HydrophobicContact CB-CG 4.28Å; P53-I97 HydrophobicContact CB-CD1 4.4Å; P53-I97 HydrophobicContact CG-CB 4.07Å; P53-I97 HydrophobicContact CG-CG2 4.48Å; P53-I97 PolarHBondContact O-N 2.71Å; P53-A100 HydrophobicContact CG-CB 3.33Å; P53-I194 HydrophobicContact CB-CG2 3.54Å; P53-I194 HydrophobicContact CG-CG2 3.37Å; P53-Q195 WeakPolarHBondContact CB-O 3.48Å; P53-Q195 VanDerWaalsContact CG-O 3.27Å; P53-Q195 WeakPolarHBondContact CG-O 3.43Å
54W98.3Very high97Very high0 Ų027.8 Ų27.80%013%0.129CC..EExtended strand (participates in β ladder)trans-121.2157.8174.7-63.275.7000110.3F12 I14 F29 L31 N51 L69 F94 R95 P96F12-W54 HydrophobicContact CB-CH2 4.31Å; F12-W54 HydrophobicContact CB-CZ2 3.51Å; I14-W54 HydrophobicContact CB-CD2 3.98Å; I14-W54 HydrophobicContact CB-CG 4.32Å; I14-W54 HydrophobicContact CB-CH2 4.5Å; I14-W54 HydrophobicContact CB-CZ2 3.95Å; I14-W54 HydrophobicContact CD1-CB 4.33Å; I14-W54 HydrophobicContact CD1-CD2 4.33Å; I14-W54 HydrophobicContact CD1-CG 4.18Å; I14-W54 HydrophobicContact CG2-CD2 3.74Å; I14-W54 HydrophobicContact CG2-CE3 3.78Å; I14-W54 HydrophobicContact CG2-CH2 3.54Å; I14-W54 HydrophobicContact CG2-CZ2 3.47Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.47Å; I14-W54 HydrophobicContact CG2-CZ3 3.69Å; F29-W54 HydrophobicContact CB-CH2 4.34Å; L31-W54 WeakPolarHBondContact O-CZ3 3.44Å; N51-W54 PolarHBondContact O-NE1 3.23Å; W54-L69 HydrophobicContact CB-CB 3.99Å; W54-L69 HydrophobicContact CB-CD1 4.44Å; W54-L69 PolarHBondContact N-O 3.26Å; W54-L69 WeakPolarHBondContact O-CB 3.23Å; W54-L69 PolarHBondContact O-N 2.56Å; W54-F94 AromaticContact CE3-CD2 3.83Å; W54-F94 HydrophobicContact CE3-CD2 3.83Å; W54-F94 AromaticContact CZ3-CD2 3.84Å; W54-F94 HydrophobicContact CZ3-CD2 3.84Å; W54-F94 HydrophobicContact CZ3-CE2 4.19Å; W54-R95 CarbonylContact C-O 3.57Å; W54-R95 WeakPolarHBondContact CA-O 3.39Å; W54-P96 HydrophobicContact CD2-CB 4.45Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CZ3-CB 4.49Å; W54-P96 HydrophobicContact CZ3-CG 4.49Å
55V97.9Very high96.8Very high0 Ų027.8 Ų27.80%013%0.129CC..EExtended strand (participates in β ladder)trans-117.9126.9165.350.40000109Y57 Q66 F67 F94 R95 I97 I163V55-Y57 HydrophobicContact CB-CE2 4.25Å; V55-Y57 HydrophobicContact CG1-CE2 3.68Å; V55-Y57 HydrophobicContact CG2-CD2 4.33Å; V55-Y57 HydrophobicContact CG2-CE1 4.2Å; V55-Y57 HydrophobicContact CG2-CE2 3.72Å; V55-Q66 HydrophobicContact CG2-CB 4.12Å; V55-F67 WeakPolarHBondContact CA-O 3.45Å; V55-F94 CarbonylContact O-C 3.55Å; V55-F94 WeakPolarHBondContact O-CA 3.36Å; V55-F94 VanDerWaalsContact O-CB 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.23Å; V55-R95 HydrophobicContact CG1-CG 3.58Å; V55-R95 PolarHBondContact N-O 2.71Å; V55-R95 PolarHBondContact O-N 2.98Å; V55-I97 HydrophobicContact CB-CD1 4.04Å; V55-I97 HydrophobicContact CB-CG1 4.2Å; V55-I97 HydrophobicContact CG1-CD1 4.3Å; V55-I97 HydrophobicContact CG1-CG1 3.92Å; V55-I163 HydrophobicContact CB-CG1 4.2Å; V55-I163 HydrophobicContact CG2-CB 4.48Å; V55-I163 HydrophobicContact CG2-CG1 3.69Å
56G97.7Very high96.8Very high0 Ų025.8 Ų25.80%012%0.122CC..EExtended strand (participates in β ladder)trans-94.6152.6169.200000111.6Q66 F67G56-Q66 CarbonylContact O-C 3.38Å; G56-Q66 WeakPolarHBondContact O-CA 3.26Å; G56-F67 PolarHBondContact N-O 2.67Å; G56-F67 PolarHBondContact O-N 2.82Å
57Y97.2Very high96.7Very high9 Ų925.8 Ų25.84%0.03512%0.122CC..EExtended strand (participates in β ladder)trans-131.4142.2-178.5-65.3-89.8000110.7V55 Y59 F62 Q65 Q66 M91 L92 S93 R95V55-Y57 HydrophobicContact CB-CE2 4.25Å; V55-Y57 HydrophobicContact CG1-CE2 3.68Å; V55-Y57 HydrophobicContact CG2-CD2 4.33Å; V55-Y57 HydrophobicContact CG2-CE1 4.2Å; V55-Y57 HydrophobicContact CG2-CE2 3.72Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.81Å; Y57-F62 HydrophobicContact CD1-CB 4.24Å; Y57-F62 VanDerWaalsContact CD1-O 3.29Å; Y57-F62 WeakPolarHBondContact CD1-O 3.45Å; Y57-F62 HydrophobicContact CD2-CB 3.85Å; Y57-F62 AromaticContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CG 4.31Å; Y57-F62 HydrophobicContact CE1-CB 4.12Å; Y57-F62 WeakPolarHBondContact CE1-O 3.22Å; Y57-F62 HydrophobicContact CE2-CB 3.71Å; Y57-F62 AromaticContact CE2-CD1 3.87Å; Y57-F62 HydrophobicContact CE2-CD1 3.87Å; Y57-F62 HydrophobicContact CE2-CG 4.15Å; Y57-F62 HydrophobicContact CG-CB 4.11Å; Y57-Q65 WeakPolarHBondContact CA-O 3.42Å; Y57-Q66 HydrophobicContact CD1-CG 3.93Å; Y57-Q66 HydrophobicContact CE1-CG 3.62Å; Y57-Q66 PolarHBondContact OH-OE1 3.29Å; Y57-M91 CarbonylContact O-C 3.6Å; Y57-M91 VanDerWaalsContact O-CA 3.27Å; Y57-M91 WeakPolarHBondContact O-CA 3.45Å; Y57-L92 PolarHBondContact O-N 2.81Å; Y57-S93 WeakPolarHBondContact CB-OG 2.92Å; Y57-S93 PolarHBondContact N-O 2.81Å; Y57-S93 PolarHBondContact O-N 2.99Å; Y57-R95 HydrophobicContact CE2-CG 4.14Å; Y57-R95 PolarHBondContact OH-NE 2.96Å; Y57-R95 VanDerWaalsContact OH-NE 3.11Å; Y57-R95 PolarHBondContact OH-NH2 3.02Å
58E95.4Very high96.6Very high6 Ų626.3 Ų26.33%0.02813%0.125CC..EExtended strand (participates in β ladder)trans-58.1-43.3178.6179.8170.2-148.200113.1Q65 F67 Y86 T88 H90 L92E58-Q65 HydrophobicContact CB-CB 4.23Å; E58-Q65 PolarHBondContact N-O 2.79Å; E58-Q65 PolarHBondContact OE2-N 3.04Å; E58-F67 HydrophobicContact CB-CE2 4.47Å; E58-Y86 WeakPolarHBondContact OE1-CE1 3.36Å; E58-Y86 PolarHBondContact OE1-OH 2.96Å; E58-Y86 VanDerWaalsContact OE1-OH 3.09Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.41Å; E58-Y86 PolarHBondContact OE2-OH 2.77Å; E58-Y86 VanDerWaalsContact OE2-OH 3.13Å; E58-T88 HydrophobicContact CG-CG2 4.34Å; E58-T88 WeakPolarHBondContact OE1-CB 3.48Å; E58-T88 PolarHBondContact OE1-OG1 2.92Å; E58-H90 WeakPolarHBondContact CA-O 3.48Å; E58-H90 HydrophobicContact CG-CB 4.1Å; E58-L92 WeakPolarHBondContact O-CB 3.49Å; E58-L92 WeakPolarHBondContact O-CD1 3.15Å; E58-L92 WeakPolarHBondContact O-CG 3.4Å; E58-L92 PolarHBondContact O-N 3.49Å
59Y96.9Very high96.5Very high89 Ų8923.8 Ų23.835%0.34911%0.114SC..EExtended strand (participates in β ladder)trans-110.7165.8-176.1-61.4-59000112.1Y57 Q63 S93Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.81Å; Y59-Q63 PolarHBondContact N-O 3.04Å; Y59-S93 PolarHBondContact O-OG 3.26Å
60P97.8Very high96.4Very high33 Ų3324.9 Ų24.921%0.21412%0.119CC..THydrogen-bonded Turntrans-56.3166.3168.7-24.736.6000112.4Q34 N35 F62 Q63 L92Q34-P60 CarbonylContact O-C 3.57Å; Q34-P60 VanDerWaalsContact O-CA 3.29Å; Q34-P60 WeakPolarHBondContact O-CA 3.46Å; N35-P60 HydrophobicContact CB-CB 4.22Å; P60-F62 PolarHBondContact O-N 2.75Å; P60-F62 VanDerWaalsContact O-N 3.16Å; P60-Q63 WeakPolarHBondContact O-CB 3.42Å; P60-Q63 WeakPolarHBondContact O-CG 3.36Å; P60-Q63 PolarHBondContact O-N 3.21Å; P60-L92 HydrophobicContact CG-CB 4.15Å; P60-L92 HydrophobicContact CG-CD1 4.35Å
61E97.6Very high96.5Very high133 Ų13329.9 Ų29.962%0.62114%0.14SC*.THydrogen-bonded Turntrans57.431.9173.9-55-179129.600113.7Q34 Q63Q34-E61 PolarHBondContact O-N 2.91Å; E61-Q63 HydrophobicContact CB-CG 4.35Å; E61-Q63 PolarHBondContact O-N 2.75Å; E61-Q63 PolarHBondContact O-NE2 3.45Å
62F97.6Very high96.6Very high26 Ų2628.3 Ų28.311%0.11414%0.137CC..THydrogen-bonded Turntrans61.440.4177.2-41.1-55.5000113.5E32 Q34 Y57 P60 S93 R95E32-F62 HydrophobicContact CB-CE1 4.27Å; E32-F62 HydrophobicContact CB-CZ 3.9Å; E32-F62 HydrophobicContact CG-CZ 4.16Å; Q34-F62 HydrophobicContact CB-CZ 4.39Å; Q34-F62 HydrophobicContact CG-CE1 4.19Å; Q34-F62 HydrophobicContact CG-CE2 3.68Å; Q34-F62 HydrophobicContact CG-CZ 3.41Å; Q34-F62 VanDerWaalsContact CG-CZ 3.41Å; Y57-F62 HydrophobicContact CD1-CB 4.24Å; Y57-F62 VanDerWaalsContact CD1-O 3.29Å; Y57-F62 WeakPolarHBondContact CD1-O 3.45Å; Y57-F62 HydrophobicContact CD2-CB 3.85Å; Y57-F62 AromaticContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CG 4.31Å; Y57-F62 HydrophobicContact CE1-CB 4.12Å; Y57-F62 WeakPolarHBondContact CE1-O 3.22Å; Y57-F62 HydrophobicContact CE2-CB 3.71Å; Y57-F62 AromaticContact CE2-CD1 3.87Å; Y57-F62 HydrophobicContact CE2-CD1 3.87Å; Y57-F62 HydrophobicContact CE2-CG 4.15Å; Y57-F62 HydrophobicContact CG-CB 4.11Å; P60-F62 PolarHBondContact O-N 2.75Å; P60-F62 VanDerWaalsContact O-N 3.16Å; F62-S93 WeakPolarHBondContact CA-OG 3.29Å; F62-S93 PolarHBondContact N-OG 3.19Å; F62-R95 HydrophobicContact CD1-CB 4.5Å; F62-R95 HydrophobicContact CD1-CG 4.48Å; F62-R95 HydrophobicContact CE1-CB 3.98Å; F62-R95 HydrophobicContact CE1-CG 4.43Å; F62-R95 HydrophobicContact CZ-CB 4.34Å
63Q96.7Very high96.8Very high70 Ų7032.7 Ų32.733%0.32716%0.159SC..EExtended strand (participates in β ladder)trans-108.3156.8-175.9-56.5-59.8-53.100113Y59 P60 E61 T181Y59-Q63 PolarHBondContact N-O 3.04Å; P60-Q63 WeakPolarHBondContact O-CB 3.42Å; P60-Q63 WeakPolarHBondContact O-CG 3.36Å; P60-Q63 PolarHBondContact O-N 3.21Å; E61-Q63 HydrophobicContact CB-CG 4.35Å; E61-Q63 PolarHBondContact O-N 2.75Å; E61-Q63 PolarHBondContact O-NE2 3.45Å; Q63-T181 WeakPolarHBondContact CA-OG1 3.35Å; Q63-T181 PolarHBondContact OE1-OG1 3.42Å
64G94.5Very high96.8Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans84.7-154.1173.300000113.9T181G64-T181 PolarHBondContact N-OG1 3.14Å
65Q94.3Very high96.8Very high2 Ų235.8 Ų35.81%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-63.1137.6-178.8-177.151.539.600111.7Y57 E58 F67 Y86 Q161Y57-Q65 WeakPolarHBondContact CA-O 3.42Å; E58-Q65 HydrophobicContact CB-CB 4.23Å; E58-Q65 PolarHBondContact N-O 2.79Å; E58-Q65 PolarHBondContact OE2-N 3.04Å; Q65-F67 HydrophobicContact CB-CE2 4.46Å; Q65-F67 HydrophobicContact CB-CZ 3.98Å; Q65-F67 HydrophobicContact CG-CE1 3.74Å; Q65-F67 HydrophobicContact CG-CE2 4.38Å; Q65-F67 HydrophobicContact CG-CZ 3.62Å; Q65-F67 WeakPolarHBondContact O-CE2 3.13Å; Q65-Y86 HydrophobicContact CB-CD1 4.12Å; Q65-Y86 HydrophobicContact CB-CE1 3.96Å; Q65-Y86 HydrophobicContact CG-CD1 4.12Å; Q65-Y86 HydrophobicContact CG-CE1 4.47Å; Q65-Q161 PolarHBondContact NE2-O 3.44Å
66Q95.5Very high96.7Very high9 Ų941.7 Ų41.74%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-97.8147.9179-54.9-176.187.900111.5V55 G56 Y57 I163 F179V55-Q66 HydrophobicContact CG2-CB 4.12Å; G56-Q66 CarbonylContact O-C 3.38Å; G56-Q66 WeakPolarHBondContact O-CA 3.26Å; Y57-Q66 HydrophobicContact CD1-CG 3.93Å; Y57-Q66 HydrophobicContact CE1-CG 3.62Å; Y57-Q66 PolarHBondContact OH-OE1 3.29Å; Q66-I163 HydrophobicContact CB-CG1 4.09Å; Q66-F179 PolarHBondContact NE2-O 2.9Å; Q66-F179 VanDerWaalsContact NE2-O 3.08Å
67F95.9Very high96.3Very high1 Ų143 Ų430%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-133.8121.2176.8-50.4-74.9000110V55 G56 E58 Q65 W80 T88 M91V55-F67 WeakPolarHBondContact CA-O 3.45Å; G56-F67 PolarHBondContact N-O 2.67Å; G56-F67 PolarHBondContact O-N 2.82Å; E58-F67 HydrophobicContact CB-CE2 4.47Å; Q65-F67 HydrophobicContact CB-CE2 4.46Å; Q65-F67 HydrophobicContact CB-CZ 3.98Å; Q65-F67 HydrophobicContact CG-CE1 3.74Å; Q65-F67 HydrophobicContact CG-CE2 4.38Å; Q65-F67 HydrophobicContact CG-CZ 3.62Å; Q65-F67 WeakPolarHBondContact O-CE2 3.13Å; F67-W80 AromaticContact CG-CD1 3.87Å; F67-T88 HydrophobicContact CE1-CG2 4.32Å; F67-T88 HydrophobicContact CE2-CG2 4.42Å; F67-T88 HydrophobicContact CZ-CG2 3.53Å; F67-M91 HydrophobicContact CB-CE 4.19Å; F67-M91 HydrophobicContact CD2-CE 3.98Å; F67-M91 HydrophobicContact CG-CE 4.31Å
68I96.6Very high96.1Very high11 Ų1146.2 Ų46.26%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-73.2130.3172.5-169.958.1000110.6P53 E70 I97 I163 I194P53-I68 HydrophobicContact CB-CD1 4.44Å; I68-E70 HydrophobicContact CG1-CG 4.07Å; I68-I97 HydrophobicContact CD1-CD1 3.53Å; I68-I163 HydrophobicContact CB-CD1 3.96Å; I68-I163 HydrophobicContact CD1-CD1 4.14Å; I68-I163 HydrophobicContact CG1-CD1 4.49Å; I68-I194 HydrophobicContact CD1-CD1 3.66Å; I68-I194 HydrophobicContact CD1-CG1 3.86Å; I68-I194 HydrophobicContact CD1-CG2 3.84Å; I68-I194 HydrophobicContact CG1-CD1 4.49Å; I68-I194 HydrophobicContact CG1-CG1 4.29Å
69L97.5Very high95.9Very high0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-125.586.6-179.3-62.3173.8000108.7I14 I47 V49 W54 Y74 W80 M91I14-L69 HydrophobicContact CD1-CD1 3.94Å; I47-L69 HydrophobicContact CD1-CD1 4.09Å; I47-L69 HydrophobicContact CD1-CD2 4.19Å; V49-L69 HydrophobicContact CG2-CB 3.98Å; W54-L69 HydrophobicContact CB-CB 3.99Å; W54-L69 HydrophobicContact CB-CD1 4.44Å; W54-L69 PolarHBondContact N-O 3.26Å; W54-L69 WeakPolarHBondContact O-CB 3.23Å; W54-L69 PolarHBondContact O-N 2.56Å; L69-Y74 HydrophobicContact CD2-CD1 4.45Å; L69-Y74 HydrophobicContact CD2-CE1 4.22Å; L69-Y74 HydrophobicContact CD2-CE2 4.36Å; L69-W80 HydrophobicContact CD2-CB 3.5Å; L69-W80 HydrophobicContact CD2-CG 4.23Å; L69-M91 HydrophobicContact CD1-CE 3.99Å; L69-M91 HydrophobicContact CD1-SD 3.99Å; L69-M91 HydrophobicContact CD2-CE 4.29Å
70E96.6Very high95.6Very high26 Ų2644 Ų4412%0.12122%0.22CC..  trans-81.8173173.6-73.5164.514900110.4V49 P53 I68 G72 Y74 R192 I194 Q195V49-E70 VanDerWaalsContact CB-O 3.28Å; V49-E70 WeakPolarHBondContact CB-O 3.35Å; P53-E70 HydrophobicContact CB-CG 4.28Å; I68-E70 HydrophobicContact CG1-CG 4.07Å; E70-G72 PolarHBondContact O-N 2.86Å; E70-Y74 PolarHBondContact N-OH 2.84Å; E70-Y74 WeakPolarHBondContact O-CE2 3.49Å; E70-Y74 PolarHBondContact O-OH 2.89Å; E70-R192 IonicContact OE1-CZ 3.62Å; E70-R192 IonicContact OE1-NH1 3.02Å; E70-R192 PolarHBondContact OE1-NH1 2.96Å; E70-R192 IonicContact OE1-NH2 2.96Å; E70-R192 IonicContact OE2-CZ 3.24Å; E70-R192 IonicContact OE2-NH1 3.72Å; E70-R192 PolarHBondContact OE2-NH1 2.94Å; E70-R192 IonicContact OE2-NH2 3.01Å; E70-R192 PolarHBondContact OE2-NH2 3.13Å; E70-I194 HydrophobicContact CG-CG2 4.46Å; E70-Q195 HydrophobicContact CG-CB 4.45Å; E70-Q195 PolarHBondContact OE1-N 3.21Å
71K96.8Very high95Very high149 Ų14942.9 Ų42.965%0.64821%0.212SC*.SBendtrans-55.5125179.4-178.3175.1-177.2167.90111.2V49 E50V49-K71 WeakPolarHBondContact O-CA 3.31Å; V49-K71 WeakPolarHBondContact O-CG 3.06Å; E50-K71 WeakPolarHBondContact O-CD 3.4Å; E50-K71 VanDerWaalsContact O-CE 3.31Å; E50-K71 WeakPolarHBondContact O-CE 3.24Å
72G97.3Very high93.8Very high25 Ų2538.7 Ų38.726%0.25821%0.205SC..EExtended strand (participates in β ladder)trans158.7179.3-17900000114.8V49 E70V49-G72 PolarHBondContact N-O 3.38Å; V49-G72 PolarHBondContact O-N 2.85Å; E70-G72 PolarHBondContact O-N 2.86Å
73D98.3Very high92.4Very high96 Ų9642.9 Ų42.951%0.51323%0.228SC..EExtended strand (participates in β ladder)trans-105.8122.3-179.4-83.87.3000109.5F22 K48 P75F22-D73 HydrophobicContact CZ-CB 3.84Å; K48-D73 WeakPolarHBondContact CD-OD1 3.45Å; K48-D73 WeakPolarHBondContact CG-OD1 3.47Å; K48-D73 VanDerWaalsContact NZ-CG 3.33Å; K48-D73 IonicContact NZ-OD1 2.84Å; K48-D73 PolarHBondContact NZ-OD1 3.42Å; K48-D73 IonicContact NZ-OD2 3.71Å; K48-D73 PolarHBondContact NZ-OD2 2.86Å; D73-P75 WeakPolarHBondContact O-CD 3.4Å
74Y97.5Very high91Very high28 Ų2840.4 Ų40.411%0.1122%0.219CC..EExtended strand (participates in β ladder)trans-117.789-179.1-59.5-95.8000109.9S46 I47 V49 L69 E70 R76 A79 W80S46-Y74 CarbonylContact C-O 3.56Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.31Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.22Å; I47-Y74 HydrophobicContact CB-CD2 4.38Å; I47-Y74 HydrophobicContact CG2-CD2 4.39Å; I47-Y74 PolarHBondContact N-O 3.16Å; I47-Y74 WeakPolarHBondContact O-CA 3.35Å; I47-Y74 WeakPolarHBondContact O-CB 3.14Å; I47-Y74 PolarHBondContact O-N 3.21Å; V49-Y74 HydrophobicContact CG2-CD2 4.46Å; V49-Y74 HydrophobicContact CG2-CE2 3.96Å; L69-Y74 HydrophobicContact CD2-CD1 4.45Å; L69-Y74 HydrophobicContact CD2-CE1 4.22Å; L69-Y74 HydrophobicContact CD2-CE2 4.36Å; E70-Y74 PolarHBondContact N-OH 2.84Å; E70-Y74 WeakPolarHBondContact O-CE2 3.49Å; E70-Y74 PolarHBondContact O-OH 2.89Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 3.13Å; Y74-A79 HydrophobicContact CD1-CB 3.84Å; Y74-A79 WeakPolarHBondContact CD1-O 3.18Å; Y74-A79 HydrophobicContact CG-CB 4.39Å; Y74-W80 HydrophobicContact CD1-CB 3.92Å; Y74-W80 HydrophobicContact CE1-CB 4.21Å; Y74-W80 HydrophobicContact CG-CE3 4.5Å
75P97.6Very high89.6Confident39 Ų3944.2 Ų44.225%0.25325%0.245SC..  trans-74.6-13.4-169.628.5-35.9000114.6E20 N21 F22 S46 D73E20-P75 CarbonylContact C-O 3.6Å; E20-P75 WeakPolarHBondContact CA-O 3.43Å; E20-P75 WeakPolarHBondContact CB-O 3.34Å; N21-P75 PolarHBondContact N-O 2.99Å; F22-P75 HydrophobicContact CE2-CB 4.25Å; F22-P75 HydrophobicContact CZ-CB 3.99Å; S46-P75 WeakPolarHBondContact CB-O 3.29Å; D73-P75 WeakPolarHBondContact O-CD 3.4Å
76R95.3Very high88.7Confident124 Ų12446.8 Ų46.847%0.46826%0.255SS..SBendtrans-159.4166.3-177.164.7-179.699.2178.76.8110.6E20 R45 Y74 E78 A79 W80E20-R76 HydrophobicContact CG-CB 4.27Å; R45-R76 VanDerWaalsContact O-CA 3.29Å; R45-R76 WeakPolarHBondContact O-CA 3.46Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 3.13Å; R76-E78 VanDerWaalsContact C-N 3.27Å; R76-E78 WeakPolarHBondContact CB-OE2 3.32Å; R76-E78 WeakPolarHBondContact CD-OE2 3.02Å; R76-E78 HydrophobicContact CG-CB 4.37Å; R76-E78 WeakPolarHBondContact CG-OE2 3.31Å; R76-E78 PolarHBondContact O-N 3.18Å; R76-A79 WeakPolarHBondContact O-CB 3.5Å; R76-A79 PolarHBondContact O-N 3.44Å; R76-W80 VanDerWaalsContact O-CE3 3.25Å; R76-W80 WeakPolarHBondContact O-CZ3 3.48Å
77Y90.8Very high87.7Confident26 Ų2656.9 Ų56.910%0.10229%0.293CS..THydrogen-bonded Turntrans-64.5-27.8-172.780.3-82.2000114.8A79 W80 S81 E89Y77-A79 PolarHBondContact O-N 3.01Å; Y77-W80 VanDerWaalsContact CA-CE2 3.45Å; Y77-W80 PolarHBondContact O-N 3.11Å; Y77-S81 WeakPolarHBondContact O-CB 3.09Å; Y77-S81 PolarHBondContact O-N 3.42Å; Y77-S81 PolarHBondContact O-OG 3.13Å; Y77-E89 HydrophobicContact CD1-CG 4.09Å; Y77-E89 HydrophobicContact CD2-CG 4.04Å; Y77-E89 HydrophobicContact CE1-CG 4.06Å; Y77-E89 HydrophobicContact CE2-CG 4.02Å; Y77-E89 HydrophobicContact CG-CB 4.45Å; Y77-E89 HydrophobicContact CG-CG 4.09Å
78E90.9Very high87.2Confident77 Ų7757.2 Ų57.236%0.3630%0.295SS..Hα-helixtrans-62.8-22.9174.6-61.789.6162.300112.3R76 W80 S81 G82R76-E78 VanDerWaalsContact C-N 3.27Å; R76-E78 WeakPolarHBondContact CB-OE2 3.32Å; R76-E78 WeakPolarHBondContact CD-OE2 3.02Å; R76-E78 HydrophobicContact CG-CB 4.37Å; R76-E78 WeakPolarHBondContact CG-OE2 3.31Å; R76-E78 PolarHBondContact O-N 3.18Å; E78-W80 VanDerWaalsContact C-N 3.35Å; E78-W80 PolarHBondContact O-N 2.97Å; E78-S81 WeakPolarHBondContact CA-OG 3.31Å; E78-G82 VanDerWaalsContact O-CA 3.32Å; E78-G82 WeakPolarHBondContact O-CA 3.48Å; E78-G82 PolarHBondContact O-N 3.19Å
79A92.6Very high86.8Confident45 Ų4560.4 Ų60.437%0.37231%0.31SS..Hα-helixtrans-70.7-28.5-179.900000112.9Y74 R76 Y77Y74-A79 HydrophobicContact CD1-CB 3.84Å; Y74-A79 WeakPolarHBondContact CD1-O 3.18Å; Y74-A79 HydrophobicContact CG-CB 4.39Å; R76-A79 WeakPolarHBondContact O-CB 3.5Å; R76-A79 PolarHBondContact O-N 3.44Å; Y77-A79 PolarHBondContact O-N 3.01Å
80W90.9Very high86.5Confident5 Ų565.3 Ų65.32%0.01933%0.333CS..Hα-helixtrans-108.5-33.2177.962.781.7000113.9I44 R45 I47 F67 L69 Y74 R76 Y77 E78 G82 M91 Q161I44-W80 HydrophobicContact CG2-CH2 4.47Å; R45-W80 WeakPolarHBondContact O-CH2 3.44Å; I47-W80 HydrophobicContact CD1-CD2 4.2Å; I47-W80 HydrophobicContact CD1-CE3 4.04Å; I47-W80 HydrophobicContact CD1-CH2 4.39Å; I47-W80 HydrophobicContact CD1-CZ3 4.15Å; I47-W80 HydrophobicContact CG1-CE3 4.41Å; I47-W80 HydrophobicContact CG1-CH2 4.48Å; I47-W80 HydrophobicContact CG1-CZ3 4.14Å; F67-W80 AromaticContact CG-CD1 3.87Å; L69-W80 HydrophobicContact CD2-CB 3.5Å; L69-W80 HydrophobicContact CD2-CG 4.23Å; Y74-W80 HydrophobicContact CD1-CB 3.92Å; Y74-W80 HydrophobicContact CE1-CB 4.21Å; Y74-W80 HydrophobicContact CG-CE3 4.5Å; R76-W80 VanDerWaalsContact O-CE3 3.25Å; R76-W80 WeakPolarHBondContact O-CZ3 3.48Å; Y77-W80 VanDerWaalsContact CA-CE2 3.45Å; Y77-W80 PolarHBondContact O-N 3.11Å; E78-W80 VanDerWaalsContact C-N 3.35Å; E78-W80 PolarHBondContact O-N 2.97Å; W80-G82 PolarHBondContact O-N 3.01Å; W80-M91 VanDerWaalsContact CD1-CE 3.41Å; W80-M91 HydrophobicContact CD2-CE 4.09Å; W80-M91 HydrophobicContact CG-CE 3.83Å; W80-Q161 PolarHBondContact O-NE2 3.12Å
81S85Confident86.5Confident8 Ų864.1 Ų64.16%0.05633%0.327CS..Hα-helixtrans-72-19.8172.6630000111.7Y77 E78 S84Y77-S81 WeakPolarHBondContact O-CB 3.09Å; Y77-S81 PolarHBondContact O-N 3.42Å; Y77-S81 PolarHBondContact O-OG 3.13Å; E78-S81 WeakPolarHBondContact CA-OG 3.31Å; S81-S84 WeakPolarHBondContact O-CB 3.39Å; S81-S84 PolarHBondContact O-N 3.02Å
82G71.3Confident86.5Confident45 Ų4558.1 Ų58.146%0.46430%0.302SS..THydrogen-bonded Turntrans62.3-136.6172.300000112.1E78 W80 S84E78-G82 VanDerWaalsContact O-CA 3.32Å; E78-G82 WeakPolarHBondContact O-CA 3.48Å; E78-G82 PolarHBondContact O-N 3.19Å; W80-G82 PolarHBondContact O-N 3.01Å; G82-S84 VanDerWaalsContact C-N 3.3Å
83N68.4Low86.6Confident114 Ų11457 Ų5761%0.6129%0.29SS*.THydrogen-bonded Turntrans-9936.8177.4-151.16.2000111R158 G159N83-R158 HydrophobicContact CB-CB 4.41Å; N83-R158 HydrophobicContact CB-CG 3.98Å; N83-R158 WeakPolarHBondContact ND2-CD 3.26Å; N83-G159 PolarHBondContact O-N 3.37Å
84S67.9Low86.6Confident18 Ų1852.4 Ų52.413%0.12627%0.265CS..  trans-67.9132.3175.5-177.60000109.6S81 G82 Y86S81-S84 WeakPolarHBondContact O-CB 3.39Å; S81-S84 PolarHBondContact O-N 3.02Å; G82-S84 VanDerWaalsContact C-N 3.3Å; S84-Y86 PolarHBondContact O-N 3.32Å; S84-Y86 WeakPolarHBondContact OG-CB 3.29Å; S84-Y86 PolarHBondContact OG-N 2.97Å; S84-Y86 VanDerWaalsContact OG-N 3.11Å; S84-Y86 PolarHBondContact OG-O 2.79Å
85S65.4Low86.6Confident80 Ų8051.5 Ų51.556%0.55926%0.262SS*.SBendtrans-66.3-15.2168.845.90000112.3
86Y73.8Confident86.6Confident56 Ų5650 Ų5022%0.2225%0.252CS..SBendtrans-91.3103.9174.5-172.5-103.2000110.1E58 Q65 S84 T88 Y160E58-Y86 WeakPolarHBondContact OE1-CE1 3.36Å; E58-Y86 PolarHBondContact OE1-OH 2.96Å; E58-Y86 VanDerWaalsContact OE1-OH 3.09Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.41Å; E58-Y86 PolarHBondContact OE2-OH 2.77Å; E58-Y86 VanDerWaalsContact OE2-OH 3.13Å; Q65-Y86 HydrophobicContact CB-CD1 4.12Å; Q65-Y86 HydrophobicContact CB-CE1 3.96Å; Q65-Y86 HydrophobicContact CG-CD1 4.12Å; Q65-Y86 HydrophobicContact CG-CE1 4.47Å; S84-Y86 PolarHBondContact O-N 3.32Å; S84-Y86 WeakPolarHBondContact OG-CB 3.29Å; S84-Y86 PolarHBondContact OG-N 2.97Å; S84-Y86 VanDerWaalsContact OG-N 3.11Å; S84-Y86 PolarHBondContact OG-O 2.79Å; Y86-T88 HydrophobicContact CD1-CG2 3.78Å; Y86-T88 HydrophobicContact CE1-CG2 3.6Å; Y86-T88 PolarHBondContact O-N 3.18Å; Y86-Y160 HydrophobicContact CD1-CE1 4.21Å; Y86-Y160 AromaticContact CD2-CE1 3.66Å; Y86-Y160 HydrophobicContact CD2-CE1 3.66Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.05Å; Y86-Y160 HydrophobicContact CG-CD1 4.33Å; Y86-Y160 AromaticContact CG-CE1 3.47Å; Y86-Y160 HydrophobicContact CG-CE1 3.47Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.47Å
87R75Confident86.7Confident221 Ų22144.2 Ų44.283%0.83423%0.23SC*.  trans-85.6105177.6-67.1-166.1-178.3-153.91.7109.7
88T85.8Confident86.9Confident8 Ų848 Ų485%0.04925%0.247CC..  trans-131.2137.7166.2-173.20000109.1E58 F67 Y86 H90E58-T88 HydrophobicContact CG-CG2 4.34Å; E58-T88 WeakPolarHBondContact OE1-CB 3.48Å; E58-T88 PolarHBondContact OE1-OG1 2.92Å; F67-T88 HydrophobicContact CE1-CG2 4.32Å; F67-T88 HydrophobicContact CE2-CG2 4.42Å; F67-T88 HydrophobicContact CZ-CG2 3.53Å; Y86-T88 HydrophobicContact CD1-CG2 3.78Å; Y86-T88 HydrophobicContact CE1-CG2 3.6Å; Y86-T88 PolarHBondContact O-N 3.18Å; T88-H90 PolarHBondContact OG1-N 3.34Å
89E87.6Confident87.1Confident79 Ų7945.6 Ų45.637%0.36924%0.239SC..  trans-98.60.8174.4-59-176.9176.200111.1R45 Y77R45-E89 IonicContact CZ-OE2 2.75Å; R45-E89 IonicContact NH1-OE1 3.92Å; R45-E89 IonicContact NH1-OE2 3.84Å; R45-E89 PolarHBondContact NH1-OE2 3.13Å; R45-E89 IonicContact NH2-OE2 2.69Å; R45-E89 PolarHBondContact NH2-OE2 3.44Å; Y77-E89 HydrophobicContact CD1-CG 4.09Å; Y77-E89 HydrophobicContact CD2-CG 4.04Å; Y77-E89 HydrophobicContact CE1-CG 4.06Å; Y77-E89 HydrophobicContact CE2-CG 4.02Å; Y77-E89 HydrophobicContact CG-CB 4.45Å; Y77-E89 HydrophobicContact CG-CG 4.09Å
90H92.1Very high87.1Confident102 Ų10244 Ų4447%0.47223%0.226SC..  trans-88.6129.6-176-63.9-77.7000110.3E58 T88 L92E58-H90 WeakPolarHBondContact CA-O 3.48Å; E58-H90 HydrophobicContact CG-CB 4.1Å; T88-H90 PolarHBondContact OG1-N 3.34Å; H90-L92 HydrophobicContact CB-CG 4.48Å
91M96.2Very high87.2Confident1 Ų146.6 Ų46.61%0.00524%0.24CC..  trans-138106.7161.9-176.2-173.9-6300106.6I47 Y57 F67 L69 W80I47-M91 HydrophobicContact CD1-CE 3.7Å; I47-M91 HydrophobicContact CD1-SD 3.57Å; I47-M91 VanDerWaalsContact CD1-SD 3.57Å; Y57-M91 CarbonylContact O-C 3.6Å; Y57-M91 VanDerWaalsContact O-CA 3.27Å; Y57-M91 WeakPolarHBondContact O-CA 3.45Å; F67-M91 HydrophobicContact CB-CE 4.19Å; F67-M91 HydrophobicContact CD2-CE 3.98Å; F67-M91 HydrophobicContact CG-CE 4.31Å; L69-M91 HydrophobicContact CD1-CE 3.99Å; L69-M91 HydrophobicContact CD1-SD 3.99Å; L69-M91 HydrophobicContact CD2-CE 4.29Å; W80-M91 VanDerWaalsContact CD1-CE 3.41Å; W80-M91 HydrophobicContact CD2-CE 4.09Å; W80-M91 HydrophobicContact CG-CE 3.83Å
92L97.5Very high87.5Confident24 Ų2448.4 Ų48.413%0.12625%0.248CC..  trans-114-9.7-168.9-61.3-179.9000113.4N35 I36 Y57 E58 P60 H90N35-L92 WeakPolarHBondContact CA-O 3.22Å; I36-L92 HydrophobicContact CD1-CD2 3.59Å; I36-L92 HydrophobicContact CG1-CD2 3.88Å; I36-L92 WeakPolarHBondContact CG2-O 3.49Å; I36-L92 PolarHBondContact N-O 3.47Å; Y57-L92 PolarHBondContact O-N 2.81Å; E58-L92 WeakPolarHBondContact O-CB 3.49Å; E58-L92 WeakPolarHBondContact O-CD1 3.15Å; E58-L92 WeakPolarHBondContact O-CG 3.4Å; E58-L92 PolarHBondContact O-N 3.49Å; P60-L92 HydrophobicContact CG-CB 4.15Å; P60-L92 HydrophobicContact CG-CD1 4.35Å; H90-L92 HydrophobicContact CB-CG 4.48Å
93S98.6Very high88.5Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-149.4158.117066.10000111.6C33 Q34 Y57 Y59 F62C33-S93 CarbonylContact O-C 3.51Å; C33-S93 WeakPolarHBondContact O-CA 3.47Å; C33-S93 WeakPolarHBondContact O-CB 3.36Å; Q34-S93 VanDerWaalsContact O-CB 3.23Å; Q34-S93 WeakPolarHBondContact O-CB 2.96Å; Y57-S93 WeakPolarHBondContact CB-OG 2.92Å; Y57-S93 PolarHBondContact N-O 2.81Å; Y57-S93 PolarHBondContact O-N 2.99Å; Y59-S93 PolarHBondContact O-OG 3.26Å; F62-S93 WeakPolarHBondContact CA-OG 3.29Å; F62-S93 PolarHBondContact N-OG 3.19Å
94F98.5Very high89.8Confident0 Ų050.7 Ų50.70%026%0.258CS..EExtended strand (participates in β ladder)trans-159.6157.4177.852-94.9000111.7I14 V16 F29 E32 C33 I36 I44 W54 V55I14-F94 HydrophobicContact CG2-CD2 4.15Å; I14-F94 HydrophobicContact CG2-CE2 3.81Å; V16-F94 HydrophobicContact CG1-CE1 4.14Å; V16-F94 HydrophobicContact CG1-CZ 4.19Å; F29-F94 HydrophobicContact CB-CE2 3.81Å; F29-F94 HydrophobicContact CB-CZ 4.32Å; F29-F94 AromaticContact CD1-CE2 3.93Å; F29-F94 HydrophobicContact CD1-CE2 3.93Å; F29-F94 AromaticContact CD1-CZ 3.85Å; F29-F94 HydrophobicContact CD1-CZ 3.85Å; F29-F94 AromaticContact CD2-CE2 3.92Å; F29-F94 HydrophobicContact CD2-CE2 3.92Å; F29-F94 AromaticContact CD2-CZ 3.54Å; F29-F94 HydrophobicContact CD2-CZ 3.54Å; F29-F94 HydrophobicContact CE1-CE2 4.46Å; F29-F94 AromaticContact CE1-CZ 3.95Å; F29-F94 HydrophobicContact CE1-CZ 3.95Å; F29-F94 HydrophobicContact CE2-CE2 4.47Å; F29-F94 AromaticContact CE2-CZ 3.67Å; F29-F94 HydrophobicContact CE2-CZ 3.67Å; F29-F94 AromaticContact CG-CE2 3.63Å; F29-F94 HydrophobicContact CG-CE2 3.63Å; F29-F94 AromaticContact CG-CZ 3.64Å; F29-F94 HydrophobicContact CG-CZ 3.64Å; F29-F94 AromaticContact CZ-CZ 3.86Å; F29-F94 HydrophobicContact CZ-CZ 3.86Å; E32-F94 CarbonylContact C-O 3.53Å; E32-F94 WeakPolarHBondContact CA-O 3.19Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.23Å; C33-F94 HydrophobicContact CB-CE1 3.97Å; C33-F94 HydrophobicContact CB-CE2 3.73Å; C33-F94 HydrophobicContact CB-CZ 3.57Å; C33-F94 PolarHBondContact N-O 3.21Å; C33-F94 PolarHBondContact O-N 2.98Å; I36-F94 HydrophobicContact CG2-CD1 4.42Å; I36-F94 HydrophobicContact CG2-CE1 3.87Å; I44-F94 HydrophobicContact CD1-CD1 4.24Å; I44-F94 HydrophobicContact CD1-CE1 3.84Å; W54-F94 AromaticContact CE3-CD2 3.83Å; W54-F94 HydrophobicContact CE3-CD2 3.83Å; W54-F94 AromaticContact CZ3-CD2 3.84Å; W54-F94 HydrophobicContact CZ3-CD2 3.84Å; W54-F94 HydrophobicContact CZ3-CE2 4.19Å; V55-F94 CarbonylContact O-C 3.55Å; V55-F94 WeakPolarHBondContact O-CA 3.36Å; V55-F94 VanDerWaalsContact O-CB 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.23Å
95R98Very high91.1Very high9 Ų950 Ų503%0.03425%0.253CS..EExtended strand (participates in β ladder)trans-151158.2179.165.2176.617785.4-1.7112E32 W54 V55 Y57 F62 E165 R168E32-R95 HydrophobicContact CB-CB 3.58Å; W54-R95 CarbonylContact C-O 3.57Å; W54-R95 WeakPolarHBondContact CA-O 3.39Å; V55-R95 HydrophobicContact CG1-CG 3.58Å; V55-R95 PolarHBondContact N-O 2.71Å; V55-R95 PolarHBondContact O-N 2.98Å; Y57-R95 HydrophobicContact CE2-CG 4.14Å; Y57-R95 PolarHBondContact OH-NE 2.96Å; Y57-R95 VanDerWaalsContact OH-NE 3.11Å; Y57-R95 PolarHBondContact OH-NH2 3.02Å; F62-R95 HydrophobicContact CD1-CB 4.5Å; F62-R95 HydrophobicContact CD1-CG 4.48Å; F62-R95 HydrophobicContact CE1-CB 3.98Å; F62-R95 HydrophobicContact CE1-CG 4.43Å; F62-R95 HydrophobicContact CZ-CB 4.34Å; R95-E165 IonicContact CZ-OE1 3.69Å; R95-E165 VanDerWaalsContact CZ-OE1 3.24Å; R95-E165 IonicContact CZ-OE2 3.12Å; R95-E165 VanDerWaalsContact NH1-CD 3.34Å; R95-E165 IonicContact NH1-OE1 2.81Å; R95-E165 PolarHBondContact NH1-OE1 3.23Å; R95-E165 IonicContact NH1-OE2 2.7Å; R95-E165 PolarHBondContact NH1-OE2 3.11Å; R95-E165 IonicContact NH2-OE1 3.58Å; R95-E165 PolarHBondContact NH2-OE1 3.4Å; R95-E165 IonicContact NH2-OE2 2.71Å; R95-R168 VanDerWaalsContact CD-NH2 3.28Å; R95-R168 VanDerWaalsContact CZ-NE 3.25Å; R95-R168 VanDerWaalsContact NE-NH2 3.14Å
96P97.6Very high92.7Very high9 Ų949.6 Ų49.66%0.05824%0.241CC..EExtended strand (participates in β ladder)trans-69.2153.1171.429.3-34.9000111.6F12 W54F12-P96 HydrophobicContact CB-CB 4.13Å; F12-P96 HydrophobicContact CD1-CB 3.51Å; F12-P96 HydrophobicContact CD2-CB 3.82Å; F12-P96 HydrophobicContact CD2-CG 4.47Å; F12-P96 HydrophobicContact CE1-CB 3.8Å; F12-P96 HydrophobicContact CE2-CB 4.1Å; F12-P96 HydrophobicContact CG-CB 3.53Å; F12-P96 HydrophobicContact CG-CG 4.47Å; F12-P96 HydrophobicContact CZ-CB 4.09Å; W54-P96 HydrophobicContact CD2-CB 4.45Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CZ3-CB 4.49Å; W54-P96 HydrophobicContact CZ3-CG 4.49Å
97I97.1Very high93.9Very high1 Ų147 Ų471%0.00523%0.231CC..  trans-10497.7172.3-59.1176.9000107.4P53 V55 I68 A100 A148 I163 E165 I194P53-I97 HydrophobicContact CB-CD1 4.4Å; P53-I97 HydrophobicContact CG-CB 4.07Å; P53-I97 HydrophobicContact CG-CG2 4.48Å; P53-I97 PolarHBondContact O-N 2.71Å; V55-I97 HydrophobicContact CB-CD1 4.04Å; V55-I97 HydrophobicContact CB-CG1 4.2Å; V55-I97 HydrophobicContact CG1-CD1 4.3Å; V55-I97 HydrophobicContact CG1-CG1 3.92Å; I68-I97 HydrophobicContact CD1-CD1 3.53Å; I97-A100 HydrophobicContact CG2-CB 3.92Å; I97-A148 HydrophobicContact CG2-CB 3.6Å; I97-I163 HydrophobicContact CD1-CG2 3.89Å; I97-E165 HydrophobicContact CG2-CG 3.96Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.43Å; I97-I194 HydrophobicContact CD1-CD1 3.93Å
98K94.6Very high95Very high105 Ų10536.7 Ų36.746%0.45719%0.193SC..THydrogen-bonded Turntrans-77.7-29.4-167.4-62.2-171.4-176.9-170.90113.8F12 A100F12-K98 HydrophobicContact CE2-CG 4.27Å; F12-K98 HydrophobicContact CZ-CG 4.39Å; K98-A100 VanDerWaalsContact C-N 3.34Å
99C94.4Very high95.6Very high27 Ų2736.4 Ų36.418%0.18219%0.191CC..THydrogen-bonded Turntrans-88.75-178.266.30000114.1N101 G147 D167C99-N101 PolarHBondContact O-N 2.82Å; C99-G147 CarbonylContact O-C 3.55Å; C99-G147 VanDerWaalsContact O-CA 3.23Å; C99-G147 WeakPolarHBondContact O-CA 3.41Å; C99-D167 HydrophobicContact CB-CB 4.14Å; C99-D167 VanDerWaalsContact SG-CG 3.55Å; C99-D167 PolarHBondContact SG-OD1 2.95Å
100A93.8Very high96.1Very high12 Ų1234 Ų3410%0.09918%0.178CC..  trans-63.7118.817800000111P53 I97 K98 A148 I194 H196P53-A100 HydrophobicContact CG-CB 3.33Å; I97-A100 HydrophobicContact CG2-CB 3.92Å; K98-A100 VanDerWaalsContact C-N 3.34Å; A100-A148 HydrophobicContact CB-CB 4.18Å; A100-I194 HydrophobicContact CB-CG2 4.07Å; A100-H196 HydrophobicContact CB-CB 4.4Å
101N92.9Very high96.3Very high59 Ų5931.7 Ų31.732%0.31617%0.168SC..  trans-146.396.1175.8-176.9-3.6000108.7C99 S103 D104 S105C99-N101 PolarHBondContact O-N 2.82Å; N101-S103 VanDerWaalsContact C-N 3.3Å; N101-S103 PolarHBondContact O-N 2.83Å; N101-S103 PolarHBondContact OD1-OG 2.9Å; N101-D104 CarbonylContact O-C 3.59Å; N101-D104 PolarHBondContact O-N 2.92Å; N101-S105 PolarHBondContact O-N 3.35Å; N101-S105 VanDerWaalsContact O-N 3.13Å; N101-S105 PolarHBondContact O-OG 2.76Å
102H91.3Very high96.4Very high47 Ų4734.5 Ų34.522%0.21819%0.187CC..G310 helixtrans-59.4-38.5-168.9-175.181.2000112.9D125 R193 H196H102-D125 IonicContact CE1-OD2 2.62Å; H102-R193 PolarHBondContact CE1-NE 2.86Å; H102-R193 WeakPolarHBondContact O-CD 3.42Å; H102-H196 PolarHBondContact N-ND1 3.17Å
103S92.9Very high96.4Very high107 Ų10737.8 Ų37.875%0.74820%0.202SC*.G310 helixtrans-78.2-17.8-176.352.20000114.3N101N101-S103 VanDerWaalsContact C-N 3.3Å; N101-S103 PolarHBondContact O-N 2.83Å; N101-S103 PolarHBondContact OD1-OG 2.9Å
104D93.9Very high96.4Very high100 Ų10041.8 Ų41.854%0.53522%0.223SC..G310 helixtrans-119.120.6-179.8-169.839.4000111.7N101 S146N101-D104 CarbonylContact O-C 3.59Å; N101-D104 PolarHBondContact O-N 2.92Å; D104-S146 WeakPolarHBondContact O-CB 3.34Å; D104-S146 PolarHBondContact O-OG 3.09Å
105S97.1Very high96.4Very high4 Ų443.3 Ų43.33%0.02823%0.23CC..  trans-77.7128.8179.8-83.10000111.3N101 C123 W149N101-S105 PolarHBondContact O-N 3.35Å; N101-S105 VanDerWaalsContact O-N 3.13Å; N101-S105 PolarHBondContact O-OG 2.76Å; S105-C123 WeakPolarHBondContact O-CA 3.4Å; S105-W149 WeakPolarHBondContact O-CZ2 3.37Å
106K98.3Very high96.4Very high71 Ų7148.6 Ų48.631%0.30926%0.255SS..EExtended strand (participates in β ladder)trans-143132179-170.4178.2178.9170.50111.6E121 M122 N145 S146K106-E121 WeakPolarHBondContact CE-OE1 3.23Å; K106-E121 WeakPolarHBondContact CE-OE2 3.48Å; K106-E121 HydrophobicContact CG-CG 4.29Å; K106-E121 IonicContact NZ-OE1 3.97Å; K106-E121 PolarHBondContact NZ-OE1 3.47Å; K106-E121 IonicContact NZ-OE2 2.69Å; K106-E121 PolarHBondContact NZ-OE2 2.92Å; K106-M122 WeakPolarHBondContact CA-O 3.22Å; K106-N145 HydrophobicContact CB-CB 4.12Å; K106-N145 HydrophobicContact CD-CB 4.21Å; K106-N145 HydrophobicContact CG-CB 4.11Å; K106-N145 PolarHBondContact O-N 2.94Å; K106-S146 VanDerWaalsContact CB-OG 3.22Å; K106-S146 WeakPolarHBondContact CB-OG 3.43Å; K106-S146 PolarHBondContact N-O 2.82Å; K106-S146 PolarHBondContact N-OG 3.26Å; K106-S146 PolarHBondContact O-N 3.45Å
107V98.6Very high96.3Very high0 Ų050.8 Ų50.80%028%0.279CS..EExtended strand (participates in β ladder)trans-137.9148.717966.70000111L109 M122 K143 V144 W149 I191V107-L109 HydrophobicContact CG2-CD2 4.3Å; V107-M122 HydrophobicContact CG1-CB 3.88Å; V107-M122 HydrophobicContact CG1-CE 3.38Å; V107-M122 PolarHBondContact N-O 2.82Å; V107-M122 PolarHBondContact O-N 3.16Å; V107-K143 CarbonylContact C-O 3.54Å; V107-K143 WeakPolarHBondContact CA-O 3.48Å; V107-K143 WeakPolarHBondContact CG2-O 3.39Å; V107-V144 HydrophobicContact CG2-CG2 4.24Å; V107-W149 HydrophobicContact CB-CD2 4Å; V107-W149 HydrophobicContact CB-CG 4.19Å; V107-W149 HydrophobicContact CB-CZ2 4.09Å; V107-W149 HydrophobicContact CG1-CD2 3.62Å; V107-W149 VanDerWaalsContact CG1-CE2 3.48Å; V107-W149 HydrophobicContact CG1-CE3 3.86Å; V107-W149 HydrophobicContact CG1-CG 4.24Å; V107-W149 HydrophobicContact CG1-CH2 3.8Å; V107-W149 HydrophobicContact CG1-CZ2 3.59Å; V107-W149 HydrophobicContact CG1-CZ3 3.93Å; V107-I191 HydrophobicContact CG1-CD1 4.19Å
108T98.6Very high96.2Very high6 Ų657.5 Ų57.54%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-118.4126.4174.6-53.10000109.5Y110 K119 F120 M142 K143 N145T108-Y110 HydrophobicContact CG2-CD2 4.22Å; T108-Y110 HydrophobicContact CG2-CE1 4.34Å; T108-Y110 HydrophobicContact CG2-CE2 3.54Å; T108-K119 HydrophobicContact CG2-CB 3.9Å; T108-K119 HydrophobicContact CG2-CD 4.23Å; T108-K119 HydrophobicContact CG2-CG 4.39Å; T108-F120 CarbonylContact C-O 3.55Å; T108-F120 VanDerWaalsContact CA-O 3.32Å; T108-F120 WeakPolarHBondContact CA-O 3.37Å; T108-M142 CarbonylContact O-C 3.37Å; T108-M142 WeakPolarHBondContact O-CA 3.06Å; T108-K143 PolarHBondContact N-O 2.85Å; T108-K143 PolarHBondContact O-N 3.43Å; T108-N145 PolarHBondContact OG1-ND2 3.35Å
109L98.3Very high96.3Very high1 Ų159.2 Ų59.21%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-97.1146.7172.5-47.8-173.9000109.9V107 K119 F120 M122 L129 W134 V139 M142 I191V107-L109 HydrophobicContact CG2-CD2 4.3Å; L109-K119 CarbonylContact O-C 3.58Å; L109-K119 WeakPolarHBondContact O-CA 3.33Å; L109-F120 PolarHBondContact N-O 2.99Å; L109-F120 PolarHBondContact O-N 2.7Å; L109-M122 HydrophobicContact CD1-CE 3.66Å; L109-M122 HydrophobicContact CD1-SD 3.87Å; L109-M122 HydrophobicContact CD2-CE 3.76Å; L109-M122 HydrophobicContact CG-CE 3.63Å; L109-M122 HydrophobicContact CG-SD 4.21Å; L109-L129 HydrophobicContact CD1-CD1 3.85Å; L109-L129 HydrophobicContact CD1-CD2 3.89Å; L109-W134 HydrophobicContact CB-CE3 4.49Å; L109-W134 HydrophobicContact CB-CH2 3.84Å; L109-W134 HydrophobicContact CB-CZ3 3.79Å; L109-V139 HydrophobicContact CB-CG1 3.95Å; L109-V139 HydrophobicContact CD1-CG1 4.42Å; L109-V139 HydrophobicContact CD1-CG2 4.15Å; L109-V139 HydrophobicContact CD2-CG1 4.1Å; L109-V139 HydrophobicContact CG-CG1 4.37Å; L109-M142 HydrophobicContact CD2-CB 4.36Å; L109-M142 HydrophobicContact CD2-CE 4.34Å; L109-M142 HydrophobicContact CD2-CG 3.65Å; L109-M142 HydrophobicContact CD2-SD 3.58Å; L109-M142 VanDerWaalsContact CD2-SD 3.58Å; L109-I191 HydrophobicContact CD2-CD1 4.33Å
110Y98.1Very high96.4Very high29 Ų2961.4 Ų61.411%0.11432%0.318CS..EExtended strand (participates in β ladder)trans-128.4142.2179.7-65.7-95.7000111T108 C112 F115 K119 P140 S141 K143T108-Y110 HydrophobicContact CG2-CD2 4.22Å; T108-Y110 HydrophobicContact CG2-CE1 4.34Å; T108-Y110 HydrophobicContact CG2-CE2 3.54Å; Y110-C112 PolarHBondContact O-N 2.8Å; Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.38Å; Y110-F115 HydrophobicContact CD2-CB 4.19Å; Y110-F115 AromaticContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CG 4.44Å; Y110-F115 HydrophobicContact CE1-CB 3.71Å; Y110-F115 VanDerWaalsContact CE1-O 3.26Å; Y110-F115 WeakPolarHBondContact CE1-O 3.27Å; Y110-F115 HydrophobicContact CE2-CB 4.02Å; Y110-F115 AromaticContact CE2-CD1 3.76Å; Y110-F115 HydrophobicContact CE2-CD1 3.76Å; Y110-F115 HydrophobicContact CE2-CG 4.21Å; Y110-F115 HydrophobicContact CG-CB 4.13Å; Y110-F115 HydrophobicContact CG-CD1 4.38Å; Y110-K119 HydrophobicContact CD1-CB 3.78Å; Y110-K119 HydrophobicContact CE1-CB 3.79Å; Y110-K119 HydrophobicContact CE1-CD 4.07Å; Y110-K119 HydrophobicContact CG-CB 4.44Å; Y110-P140 WeakPolarHBondContact O-CD 3.44Å; Y110-S141 WeakPolarHBondContact CB-OG 3.45Å; Y110-S141 PolarHBondContact N-O 3.43Å; Y110-K143 HydrophobicContact CE2-CB 3.98Å
111E96.1Very high96.5Very high53 Ų5366.7 Ų66.725%0.24834%0.341CS..SBendtrans-72.6-17.3-177.3-74.7-171.414400113.8R118 W134 P140E111-R118 HydrophobicContact CG-CB 4.11Å; E111-R118 PolarHBondContact N-O 3.32Å; E111-R118 IonicContact OE1-CZ 3.12Å; E111-R118 IonicContact OE1-NE 2.95Å; E111-R118 PolarHBondContact OE1-NE 2.87Å; E111-R118 IonicContact OE1-NH2 2.64Å; E111-R118 PolarHBondContact OE1-NH2 2.8Å; E111-R118 WeakPolarHBondContact OE2-CB 3.37Å; E111-R118 VanDerWaalsContact OE2-CG 3.28Å; E111-R118 WeakPolarHBondContact OE2-CG 3.29Å; E111-R118 IonicContact OE2-CZ 3.73Å; E111-R118 PolarHBondContact OE2-N 2.7Å; E111-R118 IonicContact OE2-NE 2.85Å; E111-R118 PolarHBondContact OE2-NE 2.94Å; E111-R118 IonicContact OE2-NH2 3.74Å; E111-W134 HydrophobicContact CG-CH2 3.9Å; E111-W134 HydrophobicContact CG-CZ2 4.31Å; E111-W134 HydrophobicContact CG-CZ3 4.34Å; E111-P140 WeakPolarHBondContact O-CG 3.36Å
112C97.6Very high96.6Very high61 Ų6164.2 Ų64.241%0.41233%0.328SS..SBendtrans-130.3166.5179.9-60.60000110.5Y110 Q116 S141Y110-C112 PolarHBondContact O-N 2.8Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-Q116 PolarHBondContact N-O 3.48Å; C112-S141 PolarHBondContact O-OG 2.68Å
113E98Very high96.8Very high93 Ų9365.3 Ų65.344%0.43534%0.34SS..G310 helixtrans-63165.6170.6-63-174.8158.100110.9F115 Q116 P140 R174 N175E113-F115 PolarHBondContact O-N 2.62Å; E113-F115 VanDerWaalsContact O-N 3.1Å; E113-Q116 WeakPolarHBondContact O-CG 3.32Å; E113-Q116 PolarHBondContact O-N 2.85Å; E113-P140 HydrophobicContact CG-CB 3.85Å; E113-R174 CarbonylContact C-O 3.5Å; E113-R174 WeakPolarHBondContact CA-O 3.28Å; E113-R174 WeakPolarHBondContact CB-O 3.31Å; E113-N175 HydrophobicContact CG-CB 4.18Å
114D98.1Very high97Very high83 Ų8363.8 Ų63.844%0.44432%0.323SS..G310 helixtrans53.134.2178.8-69.5-54.3000114.2Q116 R174D114-Q116 VanDerWaalsContact C-N 3.26Å; D114-Q116 PolarHBondContact O-N 3.16Å; D114-Q116 PolarHBondContact O-NE2 2.93Å; D114-R174 PolarHBondContact N-O 3.3Å; D114-R174 IonicContact OD1-NH1 3.91Å
115F98.2Very high97.2Very high33 Ų3361.4 Ų61.415%0.14531%0.31CS..G310 helixtrans61.131.9176-43.1-50.5000113.9Y110 E113 S141 M142 E172 R174Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.38Å; Y110-F115 HydrophobicContact CD2-CB 4.19Å; Y110-F115 AromaticContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CG 4.44Å; Y110-F115 HydrophobicContact CE1-CB 3.71Å; Y110-F115 VanDerWaalsContact CE1-O 3.26Å; Y110-F115 WeakPolarHBondContact CE1-O 3.27Å; Y110-F115 HydrophobicContact CE2-CB 4.02Å; Y110-F115 AromaticContact CE2-CD1 3.76Å; Y110-F115 HydrophobicContact CE2-CD1 3.76Å; Y110-F115 HydrophobicContact CE2-CG 4.21Å; Y110-F115 HydrophobicContact CG-CB 4.13Å; Y110-F115 HydrophobicContact CG-CD1 4.38Å; E113-F115 PolarHBondContact O-N 2.62Å; E113-F115 VanDerWaalsContact O-N 3.1Å; F115-S141 PolarHBondContact N-OG 2.94Å; F115-M142 WeakPolarHBondContact CE1-O 3.24Å; F115-E172 HydrophobicContact CE2-CB 4.13Å; F115-E172 HydrophobicContact CE2-CG 4.24Å; F115-E172 HydrophobicContact CZ-CB 3.69Å; F115-E172 HydrophobicContact CZ-CG 4.14Å; F115-R174 HydrophobicContact CE1-CG 4.28Å; F115-R174 HydrophobicContact CE2-CG 3.59Å; F115-R174 HydrophobicContact CZ-CB 4.3Å; F115-R174 HydrophobicContact CZ-CG 3.42Å; F115-R174 VanDerWaalsContact CZ-CG 3.42Å
116Q98.1Very high97.2Very high120 Ų12063.9 Ų63.956%0.56132%0.32SS*.  trans-95.7167.7178.9-57.1-55.2-53.700112.6C112 E113 D114C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-Q116 PolarHBondContact N-O 3.48Å; E113-Q116 WeakPolarHBondContact O-CG 3.32Å; E113-Q116 PolarHBondContact O-N 2.85Å; D114-Q116 VanDerWaalsContact C-N 3.26Å; D114-Q116 PolarHBondContact O-N 3.16Å; D114-Q116 PolarHBondContact O-NE2 2.93Å
117G96.3Very high97.2Very high55 Ų5563.7 Ų63.757%0.56733%0.326SS*.SBendtrans80.8-162.7177.500000113.8
118R95.4Very high97.2Very high141 Ų14165.2 Ų65.253%0.53234%0.336SS..  trans-68.6150175.1-58.2-179.6-73.1177.50.5109.5E111E111-R118 HydrophobicContact CG-CB 4.11Å; E111-R118 PolarHBondContact N-O 3.32Å; E111-R118 IonicContact OE1-CZ 3.12Å; E111-R118 IonicContact OE1-NE 2.95Å; E111-R118 PolarHBondContact OE1-NE 2.87Å; E111-R118 IonicContact OE1-NH2 2.64Å; E111-R118 PolarHBondContact OE1-NH2 2.8Å; E111-R118 WeakPolarHBondContact OE2-CB 3.37Å; E111-R118 VanDerWaalsContact OE2-CG 3.28Å; E111-R118 WeakPolarHBondContact OE2-CG 3.29Å; E111-R118 IonicContact OE2-CZ 3.73Å; E111-R118 PolarHBondContact OE2-N 2.7Å; E111-R118 IonicContact OE2-NE 2.85Å; E111-R118 PolarHBondContact OE2-NE 2.94Å; E111-R118 IonicContact OE2-NH2 3.74Å
119K95.9Very high97.1Very high141 Ų14165 Ų6561%0.61334%0.335SS*.EExtended strand (participates in β ladder)trans-127.5147.1-179.970.8-179.7-178.7177.90111.7T108 L109 Y110T108-K119 HydrophobicContact CG2-CB 3.9Å; T108-K119 HydrophobicContact CG2-CD 4.23Å; T108-K119 HydrophobicContact CG2-CG 4.39Å; L109-K119 CarbonylContact O-C 3.58Å; L109-K119 WeakPolarHBondContact O-CA 3.33Å; Y110-K119 HydrophobicContact CD1-CB 3.78Å; Y110-K119 HydrophobicContact CE1-CB 3.79Å; Y110-K119 HydrophobicContact CE1-CD 4.07Å; Y110-K119 HydrophobicContact CG-CB 4.44Å
120F95.8Very high97Very high74 Ų7467.7 Ų67.733%0.32535%0.347SS..EExtended strand (participates in β ladder)trans-128.4122.5175.9-76.8-102.4000109.1T108 L109 W134T108-F120 CarbonylContact C-O 3.55Å; T108-F120 VanDerWaalsContact CA-O 3.32Å; T108-F120 WeakPolarHBondContact CA-O 3.37Å; L109-F120 PolarHBondContact N-O 2.99Å; L109-F120 PolarHBondContact O-N 2.7Å; F120-W134 HydrophobicContact CB-CE3 4.26Å; F120-W134 HydrophobicContact CB-CZ3 4.19Å; F120-W134 AromaticContact CD2-CE3 3.56Å; F120-W134 HydrophobicContact CD2-CE3 3.56Å; F120-W134 AromaticContact CD2-CZ3 3.53Å; F120-W134 HydrophobicContact CD2-CZ3 3.53Å; F120-W134 HydrophobicContact CE2-CE3 4.09Å; F120-W134 HydrophobicContact CE2-CZ3 4.27Å; F120-W134 HydrophobicContact CG-CE3 4.03Å; F120-W134 HydrophobicContact CG-CZ3 4.18Å
121E96.6Very high96.9Very high123 Ų12370.6 Ų70.658%0.57538%0.377SS*.EExtended strand (participates in β ladder)trans-97.1135.9178.4-172.8175.297.400109.7K106K106-E121 WeakPolarHBondContact CE-OE1 3.23Å; K106-E121 WeakPolarHBondContact CE-OE2 3.48Å; K106-E121 HydrophobicContact CG-CG 4.29Å; K106-E121 IonicContact NZ-OE1 3.97Å; K106-E121 PolarHBondContact NZ-OE1 3.47Å; K106-E121 IonicContact NZ-OE2 2.69Å; K106-E121 PolarHBondContact NZ-OE2 2.92Å
122M94.9Very high96.6Very high7 Ų771.3 Ų71.33%0.03438%0.381CS..EExtended strand (participates in β ladder)trans-135.8136.7-168-68.3-169.9-4000110.4K106 V107 L109 Y126 L129 W149 I191K106-M122 WeakPolarHBondContact CA-O 3.22Å; V107-M122 HydrophobicContact CG1-CB 3.88Å; V107-M122 HydrophobicContact CG1-CE 3.38Å; V107-M122 PolarHBondContact N-O 2.82Å; V107-M122 PolarHBondContact O-N 3.16Å; L109-M122 HydrophobicContact CD1-CE 3.66Å; L109-M122 HydrophobicContact CD1-SD 3.87Å; L109-M122 HydrophobicContact CD2-CE 3.76Å; L109-M122 HydrophobicContact CG-CE 3.63Å; L109-M122 HydrophobicContact CG-SD 4.21Å; M122-Y126 HydrophobicContact CB-CD2 4.16Å; M122-Y126 HydrophobicContact CB-CE2 3.63Å; M122-Y126 HydrophobicContact CE-CD2 4.39Å; M122-Y126 HydrophobicContact CG-CD2 4.01Å; M122-Y126 HydrophobicContact CG-CE2 3.57Å; M122-Y126 HydrophobicContact SD-CD2 3.5Å; M122-Y126 VanDerWaalsContact SD-CD2 3.5Å; M122-Y126 HydrophobicContact SD-CE2 3.72Å; M122-Y126 HydrophobicContact SD-CG 4.49Å; M122-L129 HydrophobicContact SD-CD2 3.86Å; M122-W149 HydrophobicContact CB-CH2 4.34Å; M122-I191 HydrophobicContact CE-CD1 4.01Å; M122-I191 HydrophobicContact CE-CG2 3.46Å; M122-I191 VanDerWaalsContact CE-CG2 3.46Å; M122-I191 HydrophobicContact SD-CG2 4.16Å
123C96.6Very high96.4Very high69 Ų6970.3 Ų70.347%0.46638%0.381SS..  trans-132.66.1176.460.90000113.5S105 R193S105-C123 WeakPolarHBondContact O-CA 3.4Å; C123-R193 WeakPolarHBondContact O-CD 3.43Å; C123-R193 PolarHBondContact O-NH1 3.06Å
124D96.9Very high96.2Very high75 Ų7566.2 Ų66.240%0.40136%0.362SS..SBendtrans-128.9172.6-179.8-75.9-56000112.3Y126 W149 R193D124-Y126 HydrophobicContact CB-CE1 4.48Å; D124-Y126 HydrophobicContact CB-CE2 4.34Å; D124-Y126 WeakPolarHBondContact O-CD2 3.43Å; D124-Y126 VanDerWaalsContact O-CE2 3.29Å; D124-Y126 WeakPolarHBondContact O-CE2 3.33Å; D124-W149 WeakPolarHBondContact O-CH2 3.37Å; D124-W149 VanDerWaalsContact O-CZ3 3.31Å; D124-W149 WeakPolarHBondContact O-CZ3 3.23Å; D124-R193 IonicContact OD1-CZ 3.46Å; D124-R193 IonicContact OD1-NH1 3.45Å; D124-R193 PolarHBondContact OD1-NH1 3.19Å; D124-R193 IonicContact OD1-NH2 3.42Å; D124-R193 PolarHBondContact OD1-NH2 3.39Å
125D97.9Very high95.9Very high50 Ų5067 Ų6727%0.26737%0.372SS..  trans-84.7138.1179.3-52.5-39.3000111H102 R192 R193H102-D125 IonicContact CE1-OD2 2.62Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.22Å; D125-R192 WeakPolarHBondContact OD1-CB 3.33Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.28Å; D125-R193 IonicContact OD1-CZ 2.75Å; D125-R193 PolarHBondContact OD1-N 3.01Å; D125-R193 IonicContact OD1-NE 3.4Å; D125-R193 PolarHBondContact OD1-NE 3.02Å; D125-R193 IonicContact OD1-NH2 3.75Å; D125-R193 IonicContact OD2-CZ 3.28Å; D125-R193 IonicContact OD2-NE 2.73Å; D125-R193 IonicContact OD2-NH2 3.75Å; D125-R193 PolarHBondContact OD2-NH2 2.84Å
126Y97.5Very high95.7Very high57 Ų5767.7 Ų67.722%0.22438%0.381CS..BIsolated β-bridgetrans-135.894.4-165.9-71.7-51.7000111.1M122 D124 S128 M132 S190 I191M122-Y126 HydrophobicContact CB-CD2 4.16Å; M122-Y126 HydrophobicContact CB-CE2 3.63Å; M122-Y126 HydrophobicContact CE-CD2 4.39Å; M122-Y126 HydrophobicContact CG-CD2 4.01Å; M122-Y126 HydrophobicContact CG-CE2 3.57Å; M122-Y126 HydrophobicContact SD-CD2 3.5Å; M122-Y126 VanDerWaalsContact SD-CD2 3.5Å; M122-Y126 HydrophobicContact SD-CE2 3.72Å; M122-Y126 HydrophobicContact SD-CG 4.49Å; D124-Y126 HydrophobicContact CB-CE1 4.48Å; D124-Y126 HydrophobicContact CB-CE2 4.34Å; D124-Y126 WeakPolarHBondContact O-CD2 3.43Å; D124-Y126 VanDerWaalsContact O-CE2 3.29Å; D124-Y126 WeakPolarHBondContact O-CE2 3.33Å; Y126-S128 PolarHBondContact O-N 3.01Å; Y126-M132 HydrophobicContact CD1-CE 2.81Å; Y126-M132 HydrophobicContact CD1-SD 4.48Å; Y126-M132 HydrophobicContact CD2-CE 4.11Å; Y126-M132 HydrophobicContact CE1-CE 3.47Å; Y126-M132 VanDerWaalsContact CE1-CE 3.47Å; Y126-M132 HydrophobicContact CG-CE 3.14Å; Y126-S190 VanDerWaalsContact O-CA 3.27Å; Y126-S190 WeakPolarHBondContact O-CA 3.44Å; Y126-S190 VanDerWaalsContact O-CB 3.22Å; Y126-S190 WeakPolarHBondContact O-CB 3.48Å; Y126-I191 CarbonylContact C-O 3.43Å; Y126-I191 WeakPolarHBondContact CA-O 3.44Å; Y126-I191 PolarHBondContact N-O 3.25Å; Y126-I191 PolarHBondContact O-N 2.95Å
127P97.5Very high95.7Very high67 Ų6768.1 Ų68.144%0.43538%0.382SS..SBendtrans-72.5-10.6-178.229.3-34.9000113.3P155 G156 Y157 S190P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.26Å; P127-P155 WeakPolarHBondContact O-CA 3.47Å; P127-P155 WeakPolarHBondContact O-CB 3.44Å; P127-G156 PolarHBondContact O-N 3.02Å; P127-Y157 HydrophobicContact CB-CE1 4.31Å; P127-Y157 HydrophobicContact CB-CE2 4.25Å; P127-Y157 WeakPolarHBondContact CD-OH 3.34Å; P127-S190 WeakPolarHBondContact O-CB 3.22Å
128S97.9Very high95.8Very high32 Ų3269.9 Ų69.922%0.22438%0.375CS..  trans-151.5109.8171.5174.70000110.1Y126 Q130 A131 M132 Q189Y126-S128 PolarHBondContact O-N 3.01Å; S128-Q130 PolarHBondContact O-N 3.03Å; S128-A131 WeakPolarHBondContact O-CB 3.48Å; S128-A131 PolarHBondContact O-N 3.31Å; S128-A131 VanDerWaalsContact O-N 3.09Å; S128-A131 PolarHBondContact OG-N 2.79Å; S128-M132 WeakPolarHBondContact O-CE 3.2Å; S128-Q189 CarbonylContact C-O 3.58Å; S128-Q189 WeakPolarHBondContact CA-O 3.27Å
129L97.6Very high95.9Very high1 Ų163.1 Ų63.11%0.00535%0.349CS..G310 helixtrans-58.4-31.7176.5-74.6-176.7000112.7L109 M122 A131 M132 W134 V139 V188 Q189 I191L109-L129 HydrophobicContact CD1-CD1 3.85Å; L109-L129 HydrophobicContact CD1-CD2 3.89Å; M122-L129 HydrophobicContact SD-CD2 3.86Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 2.91Å; L129-M132 WeakPolarHBondContact CA-SD 3.49Å; L129-M132 HydrophobicContact CB-SD 4.41Å; L129-M132 HydrophobicContact CD2-SD 4.28Å; L129-M132 WeakPolarHBondContact O-CG 3.32Å; L129-W134 HydrophobicContact CB-CB 3.97Å; L129-W134 HydrophobicContact CB-CG 4.3Å; L129-W134 WeakPolarHBondContact O-CB 3.46Å; L129-W134 PolarHBondContact O-N 2.85Å; L129-V139 HydrophobicContact CD1-CG2 3.92Å; L129-V188 HydrophobicContact CD1-CG1 3.98Å; L129-V188 WeakPolarHBondContact CD1-O 3.35Å; L129-Q189 PolarHBondContact N-O 2.81Å; L129-I191 HydrophobicContact CD2-CG2 3.79Å; L129-I191 HydrophobicContact CG-CG2 4.48Å
130Q96Very high96Very high58 Ų5857.3 Ų57.327%0.27133%0.326SS..G310 helixtrans-70.8-30.5179.1-64.274.425.300112.1S128 M132 G133 W134 S136S128-Q130 PolarHBondContact O-N 3.03Å; Q130-M132 VanDerWaalsContact C-N 3.29Å; Q130-M132 PolarHBondContact O-N 2.88Å; Q130-G133 PolarHBondContact O-N 2.73Å; Q130-W134 WeakPolarHBondContact CA-O 3.36Å; Q130-S136 PolarHBondContact NE2-O 3.08Å
131A95.1Very high96.1Very high89 Ų8953.8 Ų53.874%0.73631%0.31SS*.G310 helixtrans-68.8-23.9-177.400000113.8S128 L129S128-A131 WeakPolarHBondContact O-CB 3.48Å; S128-A131 PolarHBondContact O-N 3.31Å; S128-A131 VanDerWaalsContact O-N 3.09Å; S128-A131 PolarHBondContact OG-N 2.79Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 2.91Å
132M91.3Very high96.2Very high69 Ų6947.9 Ų47.934%0.3428%0.283SS..G310 helixtrans-97.210.217262.7-74.6-7500113.4Y126 S128 L129 Q130Y126-M132 HydrophobicContact CD1-CE 2.81Å; Y126-M132 HydrophobicContact CD1-SD 4.48Å; Y126-M132 HydrophobicContact CD2-CE 4.11Å; Y126-M132 HydrophobicContact CE1-CE 3.47Å; Y126-M132 VanDerWaalsContact CE1-CE 3.47Å; Y126-M132 HydrophobicContact CG-CE 3.14Å; S128-M132 WeakPolarHBondContact O-CE 3.2Å; L129-M132 WeakPolarHBondContact CA-SD 3.49Å; L129-M132 HydrophobicContact CB-SD 4.41Å; L129-M132 HydrophobicContact CD2-SD 4.28Å; L129-M132 WeakPolarHBondContact O-CG 3.32Å; Q130-M132 VanDerWaalsContact C-N 3.29Å; Q130-M132 PolarHBondContact O-N 2.88Å
133G91.8Very high96.4Very high39 Ų3950.4 Ų50.440%0.40229%0.294SS..THydrogen-bonded Turntrans96.310.4172.400000115.9Q130 C135Q130-G133 PolarHBondContact O-N 2.73Å; G133-C135 PolarHBondContact O-N 3.06Å; G133-C135 VanDerWaalsContact O-N 3.16Å; G133-C135 PolarHBondContact O-SG 2.69Å; G133-C135 VanDerWaalsContact O-SG 3.41Å
134W95.1Very high96.4Very high7 Ų747.1 Ų47.13%0.02727%0.272CS..  trans-65.4114.5166.8-170.1-106000109.4L109 E111 F120 L129 Q130 S136 E138 V139L109-W134 HydrophobicContact CB-CE3 4.49Å; L109-W134 HydrophobicContact CB-CH2 3.84Å; L109-W134 HydrophobicContact CB-CZ3 3.79Å; E111-W134 HydrophobicContact CG-CH2 3.9Å; E111-W134 HydrophobicContact CG-CZ2 4.31Å; E111-W134 HydrophobicContact CG-CZ3 4.34Å; F120-W134 HydrophobicContact CB-CE3 4.26Å; F120-W134 HydrophobicContact CB-CZ3 4.19Å; F120-W134 AromaticContact CD2-CE3 3.56Å; F120-W134 HydrophobicContact CD2-CE3 3.56Å; F120-W134 AromaticContact CD2-CZ3 3.53Å; F120-W134 HydrophobicContact CD2-CZ3 3.53Å; F120-W134 HydrophobicContact CE2-CE3 4.09Å; F120-W134 HydrophobicContact CE2-CZ3 4.27Å; F120-W134 HydrophobicContact CG-CE3 4.03Å; F120-W134 HydrophobicContact CG-CZ3 4.18Å; L129-W134 HydrophobicContact CB-CB 3.97Å; L129-W134 HydrophobicContact CB-CG 4.3Å; L129-W134 WeakPolarHBondContact O-CB 3.46Å; L129-W134 PolarHBondContact O-N 2.85Å; Q130-W134 WeakPolarHBondContact CA-O 3.36Å; W134-S136 VanDerWaalsContact C-N 3.32Å; W134-S136 PolarHBondContact O-N 2.82Å; W134-E138 PolarHBondContact NE1-O 3.43Å; W134-V139 HydrophobicContact CZ2-CB 4.4Å; W134-V139 HydrophobicContact CZ2-CG1 4.32Å; W134-V139 HydrophobicContact CZ2-CG2 3.91Å
135C91.7Very high96.5Very high99 Ų9946 Ų4667%0.66927%0.265SS*.  trans-78.6-14.1-169.3-58.70000114.2G133G133-C135 PolarHBondContact O-N 3.06Å; G133-C135 VanDerWaalsContact O-N 3.16Å; G133-C135 PolarHBondContact O-SG 2.69Å; G133-C135 VanDerWaalsContact O-SG 3.41Å
136S94.8Very high96.5Very high48 Ų4844.5 Ų44.534%0.33626%0.259SS..  trans-104.5167.1-177.1-172.10000112.1Q130 W134 E138Q130-S136 PolarHBondContact NE2-O 3.08Å; W134-S136 VanDerWaalsContact C-N 3.32Å; W134-S136 PolarHBondContact O-N 2.82Å; S136-E138 PolarHBondContact OG-N 2.99Å
137K97Very high96.4Very high130 Ų13042 Ų4257%0.56525%0.251SS*.SBendtrans-91.6-10.4162.6-64.1-175.2-177.9173.60112.3Q187 V188 Q189K137-Q187 HydrophobicContact CB-CG 4.32Å; K137-Q187 CarbonylContact O-C 3.54Å; K137-Q187 WeakPolarHBondContact O-CA 3.1Å; K137-Q187 WeakPolarHBondContact O-CG 3.32Å; K137-V188 CarbonylContact O-C 3.57Å; K137-V188 PolarHBondContact O-N 3.4Å; K137-V188 VanDerWaalsContact O-O 3.08Å; K137-Q189 HydrophobicContact CB-CG 4.29Å
138E97.6Very high96.5Very high91 Ų9138.9 Ų38.943%0.42523%0.23SC..BIsolated β-bridgetrans-107.8148.1-174.6-62174.9-161.100110W134 S136 N186W134-E138 PolarHBondContact NE1-O 3.43Å; S136-E138 PolarHBondContact OG-N 2.99Å; E138-N186 VanDerWaalsContact CA-O 3.32Å; E138-N186 WeakPolarHBondContact CA-O 3.45Å; E138-N186 WeakPolarHBondContact CG-OD1 3.45Å; E138-N186 PolarHBondContact OE2-ND2 3.41Å
139V98Very high96.5Very high0 Ų037.3 Ų37.30%022%0.22CC..  trans-128.798.3168.8-177.50000107.3L109 L129 W134 M142 F179 N186 V188L109-V139 HydrophobicContact CB-CG1 3.95Å; L109-V139 HydrophobicContact CD1-CG1 4.42Å; L109-V139 HydrophobicContact CD1-CG2 4.15Å; L109-V139 HydrophobicContact CD2-CG1 4.1Å; L109-V139 HydrophobicContact CG-CG1 4.37Å; L129-V139 HydrophobicContact CD1-CG2 3.92Å; W134-V139 HydrophobicContact CZ2-CB 4.4Å; W134-V139 HydrophobicContact CZ2-CG1 4.32Å; W134-V139 HydrophobicContact CZ2-CG2 3.91Å; V139-M142 HydrophobicContact CB-CE 3.6Å; V139-M142 HydrophobicContact CG1-CE 3.45Å; V139-M142 VanDerWaalsContact CG1-CE 3.45Å; V139-M142 HydrophobicContact CG1-CG 3.6Å; V139-M142 HydrophobicContact CG1-SD 4.18Å; V139-M142 HydrophobicContact CG2-CE 4.29Å; V139-F179 WeakPolarHBondContact O-CE2 3.21Å; V139-F179 VanDerWaalsContact O-CZ 3.31Å; V139-F179 WeakPolarHBondContact O-CZ 3.47Å; V139-N186 PolarHBondContact N-O 3.33Å; V139-V188 HydrophobicContact CB-CB 4.11Å; V139-V188 HydrophobicContact CG2-CB 3.86Å; V139-V188 HydrophobicContact CG2-CG1 4.24Å
140P97.6Very high96.5Very high18 Ų1837.3 Ų37.312%0.11722%0.22CC..  trans-69.5-34-174.2-27.638.5000114.9Y110 E111 E113 N175 Y176Y110-P140 WeakPolarHBondContact O-CD 3.44Å; E111-P140 WeakPolarHBondContact O-CG 3.36Å; E113-P140 HydrophobicContact CG-CB 3.85Å; P140-N175 CarbonylContact O-C 3.38Å; P140-N175 VanDerWaalsContact O-CA 3.29Å; P140-N175 WeakPolarHBondContact O-CA 3.38Å; P140-Y176 PolarHBondContact O-N 2.83Å
141S98.5Very high96.6Very high0 Ų034.5 Ų34.50%021%0.207CC..EExtended strand (participates in β ladder)trans-144.8152.1177.5720000112.8Y110 C112 F115 Y173 R174Y110-S141 WeakPolarHBondContact CB-OG 3.45Å; Y110-S141 PolarHBondContact N-O 3.43Å; C112-S141 PolarHBondContact O-OG 2.68Å; F115-S141 PolarHBondContact N-OG 2.94Å; S141-Y173 CarbonylContact C-O 3.56Å; S141-Y173 VanDerWaalsContact CA-O 3.28Å; S141-Y173 WeakPolarHBondContact CA-O 3.4Å; S141-Y173 WeakPolarHBondContact CB-O 3.33Å; S141-R174 WeakPolarHBondContact CB-O 3.43Å
142M98.6Very high96.6Very high0 Ų030.9 Ų30.90%017%0.174CC..EExtended strand (participates in β ladder)trans-140.9146.7-176.8-57.7-172.6-157.400111.4T108 L109 F115 V139 A151 L164 Y173 F179 V188 I191T108-M142 CarbonylContact O-C 3.37Å; T108-M142 WeakPolarHBondContact O-CA 3.06Å; L109-M142 HydrophobicContact CD2-CB 4.36Å; L109-M142 HydrophobicContact CD2-CE 4.34Å; L109-M142 HydrophobicContact CD2-CG 3.65Å; L109-M142 HydrophobicContact CD2-SD 3.58Å; L109-M142 VanDerWaalsContact CD2-SD 3.58Å; F115-M142 WeakPolarHBondContact CE1-O 3.24Å; V139-M142 HydrophobicContact CB-CE 3.6Å; V139-M142 HydrophobicContact CG1-CE 3.45Å; V139-M142 VanDerWaalsContact CG1-CE 3.45Å; V139-M142 HydrophobicContact CG1-CG 3.6Å; V139-M142 HydrophobicContact CG1-SD 4.18Å; V139-M142 HydrophobicContact CG2-CE 4.29Å; M142-A151 HydrophobicContact CE-CB 4.31Å; M142-L164 HydrophobicContact CE-CD1 4.36Å; M142-L164 HydrophobicContact SD-CD1 3.29Å; M142-L164 WeakPolarHBondContact SD-CD1 3.32Å; M142-Y173 PolarHBondContact N-O 3.28Å; M142-Y173 WeakPolarHBondContact O-CB 3.16Å; M142-Y173 PolarHBondContact O-N 2.66Å; M142-F179 HydrophobicContact CB-CE1 4.48Å; M142-F179 HydrophobicContact CE-CE1 4.42Å; M142-F179 HydrophobicContact CE-CE2 3.79Å; M142-F179 HydrophobicContact CE-CZ 3.7Å; M142-F179 HydrophobicContact CG-CE1 4.18Å; M142-F179 HydrophobicContact CG-CZ 4.05Å; M142-F179 HydrophobicContact SD-CZ 4.36Å; M142-V188 HydrophobicContact CE-CB 4.13Å; M142-V188 HydrophobicContact CE-CG1 3.96Å; M142-V188 HydrophobicContact CE-CG2 3.81Å; M142-I191 HydrophobicContact SD-CD1 4.4Å
143K98.6Very high96.9Very high60 Ų6028.5 Ų28.526%0.26116%0.162SC..EExtended strand (participates in β ladder)trans-121.7112.7170.9-169.8168.5-173.5149.90110.8V107 T108 Y110 N145 G171 E172V107-K143 CarbonylContact C-O 3.54Å; V107-K143 WeakPolarHBondContact CA-O 3.48Å; V107-K143 WeakPolarHBondContact CG2-O 3.39Å; T108-K143 PolarHBondContact N-O 2.85Å; T108-K143 PolarHBondContact O-N 3.43Å; Y110-K143 HydrophobicContact CE2-CB 3.98Å; K143-N145 PolarHBondContact O-N 2.98Å; K143-G171 CarbonylContact C-O 3.48Å; K143-G171 VanDerWaalsContact CA-O 3.24Å; K143-G171 WeakPolarHBondContact CA-O 3.29Å; K143-E172 HydrophobicContact CD-CG 4.48Å; K143-E172 HydrophobicContact CG-CG 4.47Å; K143-E172 IonicContact NZ-OE1 3.21Å; K143-E172 PolarHBondContact NZ-OE1 3.26Å
144V98.5Very high97.1Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-80.1107.5170.7-173.80000107.6V107 G147 L164 R166 G171 Y173V107-V144 HydrophobicContact CG2-CG2 4.24Å; V144-G147 WeakPolarHBondContact CG1-O 3.3Å; V144-L164 HydrophobicContact CG2-CB 3.59Å; V144-R166 HydrophobicContact CG1-CB 3.99Å; V144-R166 WeakPolarHBondContact O-CD 3.48Å; V144-G171 PolarHBondContact N-O 2.77Å; V144-Y173 HydrophobicContact CG2-CD2 4.3Å; V144-Y173 HydrophobicContact CG2-CE2 3.88Å
145N98.1Very high97.2Very high50 Ų5030.8 Ų30.827%0.26717%0.165SC..EExtended strand (participates in β ladder)trans-80.6-34-178.2-57.2-59.9000111.2K106 T108 K143 R166K106-N145 HydrophobicContact CB-CB 4.12Å; K106-N145 HydrophobicContact CD-CB 4.21Å; K106-N145 HydrophobicContact CG-CB 4.11Å; K106-N145 PolarHBondContact O-N 2.94Å; T108-N145 PolarHBondContact OG1-ND2 3.35Å; K143-N145 PolarHBondContact O-N 2.98Å; N145-R166 VanDerWaalsContact O-CD 3.24Å; N145-R166 WeakPolarHBondContact O-CD 3.47Å; N145-R166 PolarHBondContact O-NE 2.69Å
146S97.6Very high97.4Very high19 Ų1928.1 Ų28.113%0.13315%0.154CC..EExtended strand (participates in β ladder)trans-161.4157.4177.252.10000110.8D104 K106D104-S146 WeakPolarHBondContact O-CB 3.34Å; D104-S146 PolarHBondContact O-OG 3.09Å; K106-S146 VanDerWaalsContact CB-OG 3.22Å; K106-S146 WeakPolarHBondContact CB-OG 3.43Å; K106-S146 PolarHBondContact N-O 2.82Å; K106-S146 PolarHBondContact N-OG 3.26Å; K106-S146 PolarHBondContact O-N 3.45Å
147G96.5Very high97.4Very high6 Ų629.3 Ų29.36%0.06215%0.152CC..SBendtrans74.2-158.8179.900000114.3C99 V144 R166C99-G147 CarbonylContact O-C 3.55Å; C99-G147 VanDerWaalsContact O-CA 3.23Å; C99-G147 WeakPolarHBondContact O-CA 3.41Å; V144-G147 WeakPolarHBondContact CG1-O 3.3Å; G147-R166 WeakPolarHBondContact O-CB 3.19Å; G147-R166 PolarHBondContact O-N 3.03Å; G147-R166 VanDerWaalsContact O-N 3.16Å
148A97.9Very high97.3Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-137.1146.1174.400000109.9I97 A100 L164 E165 I194I97-A148 HydrophobicContact CG2-CB 3.6Å; A100-A148 HydrophobicContact CB-CB 4.18Å; A148-L164 CarbonylContact C-O 3.59Å; A148-L164 WeakPolarHBondContact CA-O 3.42Å; A148-E165 HydrophobicContact CB-CG 4.08Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.9Å; A148-I194 PolarHBondContact O-N 3.17Å
149W98.4Very high97.1Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-132.2153.4-173.5-6678000110.5S105 V107 M122 D124 L164 I191 R192 R193 I194S105-W149 WeakPolarHBondContact O-CZ2 3.37Å; V107-W149 HydrophobicContact CB-CD2 4Å; V107-W149 HydrophobicContact CB-CG 4.19Å; V107-W149 HydrophobicContact CB-CZ2 4.09Å; V107-W149 HydrophobicContact CG1-CD2 3.62Å; V107-W149 VanDerWaalsContact CG1-CE2 3.48Å; V107-W149 HydrophobicContact CG1-CE3 3.86Å; V107-W149 HydrophobicContact CG1-CG 4.24Å; V107-W149 HydrophobicContact CG1-CH2 3.8Å; V107-W149 HydrophobicContact CG1-CZ2 3.59Å; V107-W149 HydrophobicContact CG1-CZ3 3.93Å; M122-W149 HydrophobicContact CB-CH2 4.34Å; D124-W149 WeakPolarHBondContact O-CH2 3.37Å; D124-W149 VanDerWaalsContact O-CZ3 3.31Å; D124-W149 WeakPolarHBondContact O-CZ3 3.23Å; W149-L164 HydrophobicContact CB-CB 4.39Å; W149-L164 PolarHBondContact N-O 2.77Å; W149-L164 PolarHBondContact O-N 3.12Å; W149-I191 HydrophobicContact CB-CD1 4.37Å; W149-I191 HydrophobicContact CB-CG1 4.44Å; W149-I191 HydrophobicContact CE3-CD1 4.13Å; W149-I191 HydrophobicContact CE3-CG1 3.88Å; W149-R192 WeakPolarHBondContact CA-O 3.32Å; W149-R193 HydrophobicContact CD2-CG 4.24Å; W149-R193 HydrophobicContact CE3-CG 3.94Å; W149-R193 HydrophobicContact CH2-CG 3.46Å; W149-R193 VanDerWaalsContact CH2-CG 3.46Å; W149-R193 HydrophobicContact CZ2-CG 3.74Å; W149-R193 HydrophobicContact CZ3-CG 3.57Å; W149-I194 WeakPolarHBondContact O-CD1 3.4Å
150V97.8Very high97Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-121.1120.1167.353.50000109.3Y152 Q161 Y162 I163 I191 R192 I194V150-Y152 HydrophobicContact CB-CE2 4.18Å; V150-Y152 HydrophobicContact CG1-CE2 3.67Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.33Å; V150-Y152 HydrophobicContact CG2-CD2 4.28Å; V150-Y152 HydrophobicContact CG2-CE1 4.05Å; V150-Y152 HydrophobicContact CG2-CE2 3.66Å; V150-Q161 HydrophobicContact CG2-CB 4.06Å; V150-Y162 WeakPolarHBondContact CA-O 3.41Å; V150-I163 HydrophobicContact CB-CD1 3.78Å; V150-I163 HydrophobicContact CG2-CD1 3.7Å; V150-I191 WeakPolarHBondContact O-CA 3.44Å; V150-I191 WeakPolarHBondContact O-CG1 3.28Å; V150-R192 HydrophobicContact CG1-CG 3.52Å; V150-R192 PolarHBondContact N-O 2.91Å; V150-R192 PolarHBondContact O-N 2.92Å; V150-I194 HydrophobicContact CB-CD1 4.36Å; V150-I194 HydrophobicContact CB-CG1 4.25Å; V150-I194 HydrophobicContact CG1-CG1 4.05Å
151A97.6Very high96.9Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-97.1144.3175.200000110.2M142 Q161 Y162 L164 V188 I191M142-A151 HydrophobicContact CE-CB 4.31Å; A151-Q161 CarbonylContact O-C 3.53Å; A151-Q161 WeakPolarHBondContact O-CA 3.5Å; A151-Y162 PolarHBondContact N-O 2.92Å; A151-Y162 PolarHBondContact O-N 3.28Å; A151-L164 HydrophobicContact CB-CD1 4.06Å; A151-V188 HydrophobicContact CB-CG1 3.79Å; A151-V188 HydrophobicContact CB-CG2 4.43Å; A151-I191 HydrophobicContact CB-CD1 4.18Å; A151-I191 HydrophobicContact CB-CG1 4.1Å
152Y96.8Very high96.8Very high12 Ų1225.2 Ų25.25%0.04713%0.128CC..EExtended strand (participates in β ladder)trans-129142.9-175.5-62.6-92.6000111.9V150 F154 Y157 Y160 Q161 V188 Q189 S190 R192V150-Y152 HydrophobicContact CB-CE2 4.18Å; V150-Y152 HydrophobicContact CG1-CE2 3.67Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.33Å; V150-Y152 HydrophobicContact CG2-CD2 4.28Å; V150-Y152 HydrophobicContact CG2-CE1 4.05Å; V150-Y152 HydrophobicContact CG2-CE2 3.66Å; Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 PolarHBondContact O-N 3.06Å; Y152-Y157 AromaticContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 AromaticContact CE2-CD1 3.75Å; Y152-Y157 HydrophobicContact CE2-CD1 3.75Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y152-Y160 WeakPolarHBondContact CA-O 3.39Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.88Å; Y152-Q161 HydrophobicContact CE1-CB 4.33Å; Y152-Q161 HydrophobicContact CE1-CG 3.63Å; Y152-V188 WeakPolarHBondContact O-CA 3.48Å; Y152-Q189 PolarHBondContact O-N 2.85Å; Y152-S190 WeakPolarHBondContact CB-OG 3.26Å; Y152-S190 PolarHBondContact N-O 2.95Å; Y152-S190 PolarHBondContact O-N 2.64Å; Y152-R192 HydrophobicContact CE2-CG 4.09Å; Y152-R192 PolarHBondContact OH-NE 3.19Å; Y152-R192 VanDerWaalsContact OH-NE 3.13Å
153Q96.2Very high96.7Very high20 Ų2025.3 Ų25.39%0.09313%0.128CC..EExtended strand (participates in β ladder)trans-57.9-41.1-179.7-174.1-176.911.600113.6R158 Y160 T185 Q187 Q189Q153-R158 PolarHBondContact N-O 2.91Å; Q153-Y160 PolarHBondContact N-O 3.33Å; Q153-Y160 VanDerWaalsContact N-O 3.1Å; Q153-T185 HydrophobicContact CG-CG2 4.1Å; Q153-Q187 WeakPolarHBondContact CA-O 3.17Å; Q153-Q187 HydrophobicContact CG-CB 4.19Å; Q153-Q187 HydrophobicContact CG-CG 4.06Å; Q153-Q189 WeakPolarHBondContact O-CB 3.27Å; Q153-Q189 VanDerWaalsContact O-CG 3.26Å; Q153-Q189 WeakPolarHBondContact O-CG 3.48Å; Q153-Q189 PolarHBondContact O-OE1 3.34Å
154F96.4Very high96.7Very high56 Ų5622.5 Ų22.525%0.24612%0.116CC..EExtended strand (participates in β ladder)trans-117.3161.8-174.9-60-59.2000112.3Y152 R158 S190Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 PolarHBondContact O-N 3.06Å; F154-R158 HydrophobicContact CB-CB 4.15Å; F154-R158 PolarHBondContact N-O 2.9Å; F154-S190 PolarHBondContact O-OG 2.93Å
155P96.8Very high96.7Very high38 Ų3822.6 Ų22.625%0.24712%0.116CC..THydrogen-bonded Turntrans-59.3150.4170.4-22.834.3000112.4P127 R158 Q189P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.26Å; P127-P155 WeakPolarHBondContact O-CA 3.47Å; P127-P155 WeakPolarHBondContact O-CB 3.44Å; P155-R158 PolarHBondContact O-NE 2.71Å; P155-R158 PolarHBondContact O-NH2 2.8Å; P155-R158 VanDerWaalsContact O-NH2 3.12Å; P155-Q189 HydrophobicContact CG-CB 3.95Å
156G96.4Very high96.7Very high42 Ų4225.3 Ų25.343%0.43312%0.123SC..THydrogen-bonded Turntrans75.428.5179.400000113.7P127 R158P127-G156 PolarHBondContact O-N 3.02Å; G156-R158 WeakPolarHBondContact O-CG 3.44Å
157Y95.5Very high96.6Very high74 Ų7428.5 Ų28.529%0.2914%0.138SC..THydrogen-bonded Turntrans6350.6175.8-42.4-51.8000113.5P127 Y152 S190 R192P127-Y157 HydrophobicContact CB-CE1 4.31Å; P127-Y157 HydrophobicContact CB-CE2 4.25Å; P127-Y157 WeakPolarHBondContact CD-OH 3.34Å; Y152-Y157 AromaticContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 AromaticContact CE2-CD1 3.75Å; Y152-Y157 HydrophobicContact CE2-CD1 3.75Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y157-S190 WeakPolarHBondContact CA-OG 3.33Å; Y157-S190 PolarHBondContact N-OG 3.33Å; Y157-R192 HydrophobicContact CD1-CB 4.44Å; Y157-R192 HydrophobicContact CD1-CG 4.37Å; Y157-R192 HydrophobicContact CE1-CB 3.85Å; Y157-R192 HydrophobicContact CE1-CG 4.26Å
158R94.3Very high96.5Very high103 Ų10332.4 Ų32.439%0.38915%0.152SC..EExtended strand (participates in β ladder)trans-127.6162.6-174.9-57-179-68.21352.4112.8N83 Q153 F154 P155 G156N83-R158 HydrophobicContact CB-CB 4.41Å; N83-R158 HydrophobicContact CB-CG 3.98Å; N83-R158 WeakPolarHBondContact ND2-CD 3.26Å; Q153-R158 PolarHBondContact N-O 2.91Å; F154-R158 HydrophobicContact CB-CB 4.15Å; F154-R158 PolarHBondContact N-O 2.9Å; P155-R158 PolarHBondContact O-NE 2.71Å; P155-R158 PolarHBondContact O-NH2 2.8Å; P155-R158 VanDerWaalsContact O-NH2 3.12Å; G156-R158 WeakPolarHBondContact O-CG 3.44Å
159G94Very high96.1Very high2 Ų237.8 Ų37.82%0.02118%0.176CC..EExtended strand (participates in β ladder)trans81.9-155.9-177.300000112.2N83N83-G159 PolarHBondContact O-N 3.37Å
160Y94.4Very high96Very high36 Ų3645 Ų4514%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-57.5140.2176.5-64.3-61.7000111.7Y86 Y152 Q153 H184 T185Y86-Y160 HydrophobicContact CD1-CE1 4.21Å; Y86-Y160 AromaticContact CD2-CE1 3.66Å; Y86-Y160 HydrophobicContact CD2-CE1 3.66Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.05Å; Y86-Y160 HydrophobicContact CG-CD1 4.33Å; Y86-Y160 AromaticContact CG-CE1 3.47Å; Y86-Y160 HydrophobicContact CG-CE1 3.47Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.47Å; Y152-Y160 WeakPolarHBondContact CA-O 3.39Å; Q153-Y160 PolarHBondContact N-O 3.33Å; Q153-Y160 VanDerWaalsContact N-O 3.1Å; Y160-H184 AromaticContact CD1-ND1 3.8Å; Y160-H184 HydrophobicContact CD2-CB 3.88Å; Y160-H184 HydrophobicContact CE1-CB 4.24Å; Y160-H184 AromaticContact CE1-CE1 3.85Å; Y160-H184 AromaticContact CE1-CG 3.75Å; Y160-H184 AromaticContact CE1-ND1 3.42Å; Y160-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y160-H184 HydrophobicContact CE2-CB 3.52Å; Y160-H184 AromaticContact CE2-CG 3.92Å; Y160-H184 HydrophobicContact CG-CB 4.42Å; Y160-H184 AromaticContact CZ-CG 3.55Å; Y160-H184 AromaticContact CZ-ND1 3.75Å; Y160-T185 HydrophobicContact CD2-CG2 4.17Å
161Q95.3Very high96Very high11 Ų1145 Ų455%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-106.3138.1175.1-43.7-176.222.300110.2Q65 W80 V150 A151 Y152Q65-Q161 PolarHBondContact NE2-O 3.44Å; W80-Q161 PolarHBondContact O-NE2 3.12Å; V150-Q161 HydrophobicContact CG2-CB 4.06Å; A151-Q161 CarbonylContact O-C 3.53Å; A151-Q161 WeakPolarHBondContact O-CA 3.5Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.88Å; Y152-Q161 HydrophobicContact CE1-CB 4.33Å; Y152-Q161 HydrophobicContact CE1-CG 3.63Å
162Y96.9Very high96Very high0 Ų047 Ų470%022%0.219CC..EExtended strand (participates in β ladder)trans-125.6120.3173.2-53.4-63.1000109.8V150 A151 F179 A183 T185 V188V150-Y162 WeakPolarHBondContact CA-O 3.41Å; A151-Y162 PolarHBondContact N-O 2.92Å; A151-Y162 PolarHBondContact O-N 3.28Å; Y162-F179 HydrophobicContact CD1-CB 4Å; Y162-F179 HydrophobicContact CD2-CD2 4.31Å; Y162-F179 HydrophobicContact CG-CB 3.99Å; Y162-F179 HydrophobicContact CG-CD2 4.45Å; Y162-A183 HydrophobicContact CE1-CB 4.33Å; Y162-T185 PolarHBondContact OH-N 2.97Å; Y162-T185 PolarHBondContact OH-O 3.1Å; Y162-V188 HydrophobicContact CD2-CG2 4.34Å; Y162-V188 HydrophobicContact CE2-CG2 4.46Å
163I97.7Very high96.1Very high3 Ų346.6 Ų46.62%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-89.7123.1178-52.9-53.2000109V55 Q66 I68 I97 V150 E165 I194V55-I163 HydrophobicContact CB-CG1 4.2Å; V55-I163 HydrophobicContact CG2-CB 4.48Å; V55-I163 HydrophobicContact CG2-CG1 3.69Å; Q66-I163 HydrophobicContact CB-CG1 4.09Å; I68-I163 HydrophobicContact CB-CD1 3.96Å; I68-I163 HydrophobicContact CD1-CD1 4.14Å; I68-I163 HydrophobicContact CG1-CD1 4.49Å; I97-I163 HydrophobicContact CD1-CG2 3.89Å; V150-I163 HydrophobicContact CB-CD1 3.78Å; V150-I163 HydrophobicContact CG2-CD1 3.7Å; I163-E165 HydrophobicContact CG2-CG 4.17Å; I163-I194 HydrophobicContact CD1-CD1 4.33Å; I163-I194 HydrophobicContact CG2-CD1 4.02Å
164L98.2Very high96.2Very high0 Ų050 Ų500%023%0.23CC..EExtended strand (participates in β ladder)trans-119.8119.4-175.5-53.5169.5000108.4M142 V144 A148 W149 A151 Y173 F179M142-L164 HydrophobicContact CE-CD1 4.36Å; M142-L164 HydrophobicContact SD-CD1 3.29Å; M142-L164 WeakPolarHBondContact SD-CD1 3.32Å; V144-L164 HydrophobicContact CG2-CB 3.59Å; A148-L164 CarbonylContact C-O 3.59Å; A148-L164 WeakPolarHBondContact CA-O 3.42Å; W149-L164 HydrophobicContact CB-CB 4.39Å; W149-L164 PolarHBondContact N-O 2.77Å; W149-L164 PolarHBondContact O-N 3.12Å; A151-L164 HydrophobicContact CB-CD1 4.06Å; L164-Y173 WeakPolarHBondContact CA-OH 3.03Å; L164-Y173 HydrophobicContact CB-CE2 4.01Å; L164-Y173 HydrophobicContact CD2-CD1 3.83Å; L164-Y173 HydrophobicContact CD2-CD2 4.03Å; L164-Y173 HydrophobicContact CD2-CE1 3.73Å; L164-Y173 HydrophobicContact CD2-CE2 3.95Å; L164-Y173 HydrophobicContact CD2-CG 3.97Å; L164-F179 HydrophobicContact CD2-CB 4.43Å; L164-F179 HydrophobicContact CD2-CD1 4.06Å; L164-F179 HydrophobicContact CD2-CG 4.38Å
165E97.8Very high96.2Very high2 Ų249 Ų491%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-123.9139.4-169.2-80170.3-7300111R95 I97 A148 I163 D167 R168 Y173R95-E165 IonicContact CZ-OE1 3.69Å; R95-E165 VanDerWaalsContact CZ-OE1 3.24Å; R95-E165 IonicContact CZ-OE2 3.12Å; R95-E165 VanDerWaalsContact NH1-CD 3.34Å; R95-E165 IonicContact NH1-OE1 2.81Å; R95-E165 PolarHBondContact NH1-OE1 3.23Å; R95-E165 IonicContact NH1-OE2 2.7Å; R95-E165 PolarHBondContact NH1-OE2 3.11Å; R95-E165 IonicContact NH2-OE1 3.58Å; R95-E165 PolarHBondContact NH2-OE1 3.4Å; R95-E165 IonicContact NH2-OE2 2.71Å; I97-E165 HydrophobicContact CG2-CG 3.96Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.43Å; A148-E165 HydrophobicContact CB-CG 4.08Å; I163-E165 HydrophobicContact CG2-CG 4.17Å; E165-D167 VanDerWaalsContact C-N 3.3Å; E165-D167 WeakPolarHBondContact CB-OD1 3.46Å; E165-D167 PolarHBondContact O-N 3.42Å; E165-R168 HydrophobicContact CB-CB 4.09Å; E165-R168 HydrophobicContact CB-CG 4.15Å; E165-R168 PolarHBondContact O-N 3.49Å; E165-R168 VanDerWaalsContact O-O 3.07Å; E165-R168 WeakPolarHBondContact OE1-CD 3.33Å; E165-R168 IonicContact OE1-NE 2.98Å; E165-Y173 PolarHBondContact N-OH 3.33Å
166R97.6Very high96.2Very high107 Ų10750.6 Ų50.640%0.40423%0.229SC..THydrogen-bonded Turntrans-64.3-34.5176.1175.757.1-176.487.1-3.6113.1V144 N145 G147 Q170 G171V144-R166 HydrophobicContact CG1-CB 3.99Å; V144-R166 WeakPolarHBondContact O-CD 3.48Å; N145-R166 VanDerWaalsContact O-CD 3.24Å; N145-R166 WeakPolarHBondContact O-CD 3.47Å; N145-R166 PolarHBondContact O-NE 2.69Å; G147-R166 WeakPolarHBondContact O-CB 3.19Å; G147-R166 PolarHBondContact O-N 3.03Å; G147-R166 VanDerWaalsContact O-N 3.16Å; R166-Q170 PolarHBondContact NH1-O 3.21Å; R166-Q170 CarbonylContact O-C 3.59Å; R166-G171 PolarHBondContact O-N 2.92Å; R166-G171 VanDerWaalsContact O-N 3.13Å
167D95.8Very high96.2Very high86 Ų8652.9 Ų52.946%0.4623%0.231SC..THydrogen-bonded Turntrans-86.8-6.4-176.362.8-5.1000113.5C99 E165C99-D167 HydrophobicContact CB-CB 4.14Å; C99-D167 VanDerWaalsContact SG-CG 3.55Å; C99-D167 PolarHBondContact SG-OD1 2.95Å; E165-D167 VanDerWaalsContact C-N 3.3Å; E165-D167 WeakPolarHBondContact CB-OD1 3.46Å; E165-D167 PolarHBondContact O-N 3.42Å
168R94.3Very high96.2Very high89 Ų8952 Ų5234%0.33623%0.229SC..SBendtrans-103.9140.9170.3-66.8-156.4164.7-142.2-6.2111.2R95 E165 Q170 G171R95-R168 VanDerWaalsContact CD-NH2 3.28Å; R95-R168 VanDerWaalsContact CZ-NE 3.25Å; R95-R168 VanDerWaalsContact NE-NH2 3.14Å; E165-R168 HydrophobicContact CB-CB 4.09Å; E165-R168 HydrophobicContact CB-CG 4.15Å; E165-R168 PolarHBondContact O-N 3.49Å; E165-R168 VanDerWaalsContact O-O 3.07Å; E165-R168 WeakPolarHBondContact OE1-CD 3.33Å; E165-R168 IonicContact OE1-NE 2.98Å; R168-Q170 PolarHBondContact O-N 3.22Å; R168-G171 PolarHBondContact O-N 3.13Å
169H91.1Very high96.3Very high113 Ų11347.2 Ų47.252%0.52321%0.211SC..G310 helixtrans51.223.4-175.6-54.8-86000113.6G171 E172 Y173H169-G171 PolarHBondContact O-N 3.09Å; H169-G171 VanDerWaalsContact O-N 3.16Å; H169-E172 VanDerWaalsContact CB-O 3.3Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 WeakPolarHBondContact O-CB 3.34Å; H169-E172 PolarHBondContact O-N 3.2Å; H169-Y173 AromaticContact CD2-CE1 3.96Å
170Q95.1Very high96.3Very high150 Ų15047.8 Ų47.870%0.70122%0.215SC*.G310 helixtrans56.324.4-171.2-48.3178.627.800113.8R166 R168 E172R166-Q170 PolarHBondContact NH1-O 3.21Å; R166-Q170 CarbonylContact O-C 3.59Å; R168-Q170 PolarHBondContact O-N 3.22Å; Q170-E172 VanDerWaalsContact C-N 3.27Å
171G97.7Very high96.2Very high0 Ų049.8 Ų49.80%023%0.231CC..G310 helixtrans75.310.9-173.800000113.8K143 V144 R166 R168 H169K143-G171 CarbonylContact C-O 3.48Å; K143-G171 VanDerWaalsContact CA-O 3.24Å; K143-G171 WeakPolarHBondContact CA-O 3.29Å; V144-G171 PolarHBondContact N-O 2.77Å; R166-G171 PolarHBondContact O-N 2.92Å; R166-G171 VanDerWaalsContact O-N 3.13Å; R168-G171 PolarHBondContact O-N 3.13Å; H169-G171 PolarHBondContact O-N 3.09Å; H169-G171 VanDerWaalsContact O-N 3.16Å
172E98.4Very high95.9Very high42 Ų4253.2 Ų53.220%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-106.5114.4-175.1-66.4-165.5160.800111F115 K143 H169 Q170 R174F115-E172 HydrophobicContact CE2-CB 4.13Å; F115-E172 HydrophobicContact CE2-CG 4.24Å; F115-E172 HydrophobicContact CZ-CB 3.69Å; F115-E172 HydrophobicContact CZ-CG 4.14Å; K143-E172 HydrophobicContact CD-CG 4.48Å; K143-E172 HydrophobicContact CG-CG 4.47Å; K143-E172 IonicContact NZ-OE1 3.21Å; K143-E172 PolarHBondContact NZ-OE1 3.26Å; H169-E172 VanDerWaalsContact CB-O 3.3Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 WeakPolarHBondContact O-CB 3.34Å; H169-E172 PolarHBondContact O-N 3.2Å; Q170-E172 VanDerWaalsContact C-N 3.27Å; E172-R174 IonicContact OE2-CZ 3.62Å; E172-R174 IonicContact OE2-NE 2.75Å; E172-R174 IonicContact OE2-NH2 3.56Å; E172-R174 PolarHBondContact OE2-NH2 2.94Å
173Y98.3Very high95.7Very high4 Ų453.9 Ų53.92%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-118.790.8177.5-61.5-92.9000108.9S141 M142 V144 L164 E165 H169 E178 F179S141-Y173 CarbonylContact C-O 3.56Å; S141-Y173 VanDerWaalsContact CA-O 3.28Å; S141-Y173 WeakPolarHBondContact CA-O 3.4Å; S141-Y173 WeakPolarHBondContact CB-O 3.33Å; M142-Y173 PolarHBondContact N-O 3.28Å; M142-Y173 WeakPolarHBondContact O-CB 3.16Å; M142-Y173 PolarHBondContact O-N 2.66Å; V144-Y173 HydrophobicContact CG2-CD2 4.3Å; V144-Y173 HydrophobicContact CG2-CE2 3.88Å; L164-Y173 WeakPolarHBondContact CA-OH 3.03Å; L164-Y173 HydrophobicContact CB-CE2 4.01Å; L164-Y173 HydrophobicContact CD2-CD1 3.83Å; L164-Y173 HydrophobicContact CD2-CD2 4.03Å; L164-Y173 HydrophobicContact CD2-CE1 3.73Å; L164-Y173 HydrophobicContact CD2-CE2 3.95Å; L164-Y173 HydrophobicContact CD2-CG 3.97Å; E165-Y173 PolarHBondContact N-OH 3.33Å; H169-Y173 AromaticContact CD2-CE1 3.96Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.26Å; Y173-E178 HydrophobicContact CD1-CB 4.12Å; Y173-E178 VanDerWaalsContact CD1-O 3.23Å; Y173-E178 WeakPolarHBondContact CD1-O 3.47Å; Y173-E178 WeakPolarHBondContact CE1-O 3.44Å; Y173-F179 HydrophobicContact CD1-CD1 4.1Å; Y173-F179 HydrophobicContact CG-CD1 4.24Å
174R98.3Very high95.3Very high93 Ų9357.5 Ų57.535%0.35127%0.269SS..  trans-77-24.8-165.9-68.5170.9179.8-82.6-5.9113.9E113 D114 F115 S141 E172 E178E113-R174 CarbonylContact C-O 3.5Å; E113-R174 WeakPolarHBondContact CA-O 3.28Å; E113-R174 WeakPolarHBondContact CB-O 3.31Å; D114-R174 PolarHBondContact N-O 3.3Å; D114-R174 IonicContact OD1-NH1 3.91Å; F115-R174 HydrophobicContact CE1-CG 4.28Å; F115-R174 HydrophobicContact CE2-CG 3.59Å; F115-R174 HydrophobicContact CZ-CB 4.3Å; F115-R174 HydrophobicContact CZ-CG 3.42Å; F115-R174 VanDerWaalsContact CZ-CG 3.42Å; S141-R174 WeakPolarHBondContact CB-O 3.43Å; E172-R174 IonicContact OE2-CZ 3.62Å; E172-R174 IonicContact OE2-NE 2.75Å; E172-R174 IonicContact OE2-NH2 3.56Å; E172-R174 PolarHBondContact OE2-NH2 2.94Å; R174-E178 PolarHBondContact N-OE2 3.1Å
175N97.3Very high95.1Very high34 Ų3458.9 Ų58.918%0.18228%0.278CS..SBendtrans-147.2165.7174.961.179000108.7E113 P140 N177 E178E113-N175 HydrophobicContact CG-CB 4.18Å; P140-N175 CarbonylContact O-C 3.38Å; P140-N175 VanDerWaalsContact O-CA 3.29Å; P140-N175 WeakPolarHBondContact O-CA 3.38Å; N175-N177 PolarHBondContact O-N 2.77Å; N175-N177 VanDerWaalsContact OD1-CB 3.27Å; N175-N177 WeakPolarHBondContact OD1-CB 3.31Å; N175-N177 PolarHBondContact OD1-N 3.07Å; N175-N177 VanDerWaalsContact OD1-N 3.1Å; N175-E178 PolarHBondContact ND2-OE1 3.1Å; N175-E178 WeakPolarHBondContact O-CB 3.42Å; N175-E178 PolarHBondContact O-N 3.19Å
176Y95.3Very high95Very high72 Ų7260.2 Ų60.228%0.28229%0.285SS..G310 helixtrans-66.6-23.2-173.481.7-84.2000114P140 E178 F179 A183 N186P140-Y176 PolarHBondContact O-N 2.83Å; Y176-E178 PolarHBondContact O-N 3.07Å; Y176-F179 VanDerWaalsContact O-CB 3.31Å; Y176-F179 WeakPolarHBondContact O-CB 3.19Å; Y176-F179 WeakPolarHBondContact O-CG 3.29Å; Y176-F179 PolarHBondContact O-N 3.27Å; Y176-F179 VanDerWaalsContact O-N 3.07Å; Y176-A183 HydrophobicContact CD2-CB 3.98Å; Y176-A183 HydrophobicContact CE2-CB 4.42Å; Y176-A183 WeakPolarHBondContact O-CB 3.42Å; Y176-N186 VanDerWaalsContact CB-CB 3.44Å; Y176-N186 HydrophobicContact CD1-CB 4.07Å; Y176-N186 HydrophobicContact CD2-CB 4.28Å; Y176-N186 HydrophobicContact CG-CB 3.67Å
177N95.9Very high95Very high89 Ų8957 Ų5748%0.47627%0.274SS..G310 helixtrans-66.6-16.4176.2-57.2-58.3000112.1N175N175-N177 PolarHBondContact O-N 2.77Å; N175-N177 VanDerWaalsContact OD1-CB 3.27Å; N175-N177 WeakPolarHBondContact OD1-CB 3.31Å; N175-N177 PolarHBondContact OD1-N 3.07Å; N175-N177 VanDerWaalsContact OD1-N 3.1Å
178E96.8Very high95.1Very high56 Ų5652.9 Ų52.926%0.26225%0.252SS..G310 helixtrans-83.7-13.7175.9-63.8175.6-164.200112.2Y173 R174 N175 Y176 S180Y173-E178 WeakPolarHBondContact CA-OE2 3.26Å; Y173-E178 HydrophobicContact CD1-CB 4.12Å; Y173-E178 VanDerWaalsContact CD1-O 3.23Å; Y173-E178 WeakPolarHBondContact CD1-O 3.47Å; Y173-E178 WeakPolarHBondContact CE1-O 3.44Å; R174-E178 PolarHBondContact N-OE2 3.1Å; N175-E178 PolarHBondContact ND2-OE1 3.1Å; N175-E178 WeakPolarHBondContact O-CB 3.42Å; N175-E178 PolarHBondContact O-N 3.19Å; Y176-E178 PolarHBondContact O-N 3.07Å; E178-S180 PolarHBondContact O-N 3.21Å
179F95.9Very high95.3Very high3 Ų349.5 Ų49.51%0.01324%0.24CC..SBendtrans-65.9-26.1-179.2-64-7.6000112.9Q66 V139 M142 Y162 L164 Y173 Y176 V188Q66-F179 PolarHBondContact NE2-O 2.9Å; Q66-F179 VanDerWaalsContact NE2-O 3.08Å; V139-F179 WeakPolarHBondContact O-CE2 3.21Å; V139-F179 VanDerWaalsContact O-CZ 3.31Å; V139-F179 WeakPolarHBondContact O-CZ 3.47Å; M142-F179 HydrophobicContact CB-CE1 4.48Å; M142-F179 HydrophobicContact CE-CE1 4.42Å; M142-F179 HydrophobicContact CE-CE2 3.79Å; M142-F179 HydrophobicContact CE-CZ 3.7Å; M142-F179 HydrophobicContact CG-CE1 4.18Å; M142-F179 HydrophobicContact CG-CZ 4.05Å; M142-F179 HydrophobicContact SD-CZ 4.36Å; Y162-F179 HydrophobicContact CD1-CB 4Å; Y162-F179 HydrophobicContact CD2-CD2 4.31Å; Y162-F179 HydrophobicContact CG-CB 3.99Å; Y162-F179 HydrophobicContact CG-CD2 4.45Å; L164-F179 HydrophobicContact CD2-CB 4.43Å; L164-F179 HydrophobicContact CD2-CD1 4.06Å; L164-F179 HydrophobicContact CD2-CG 4.38Å; Y173-F179 HydrophobicContact CD1-CD1 4.1Å; Y173-F179 HydrophobicContact CG-CD1 4.24Å; Y176-F179 VanDerWaalsContact O-CB 3.31Å; Y176-F179 WeakPolarHBondContact O-CB 3.19Å; Y176-F179 WeakPolarHBondContact O-CG 3.29Å; Y176-F179 PolarHBondContact O-N 3.27Å; Y176-F179 VanDerWaalsContact O-N 3.07Å; F179-V188 HydrophobicContact CE2-CG2 4.36Å
180S93.7Very high95.6Very high13 Ų1344.1 Ų44.19%0.09122%0.216CC..SBendtrans-166.5163.6174.573.40000109.4E178 Q182 A183E178-S180 PolarHBondContact O-N 3.21Å; S180-Q182 PolarHBondContact O-N 2.98Å; S180-Q182 VanDerWaalsContact O-N 3.14Å; S180-Q182 PolarHBondContact OG-N 3.46Å; S180-Q182 PolarHBondContact OG-O 3.37Å; S180-A183 PolarHBondContact O-N 2.95Å; S180-A183 WeakPolarHBondContact OG-CA 3.21Å; S180-A183 PolarHBondContact OG-N 3.07Å
181T92.7Very high95.7Very high79 Ų7937 Ų3749%0.48518%0.182SC..THydrogen-bonded Turntrans-65.6-18.8178.566.60000114Q63 G64Q63-T181 WeakPolarHBondContact CA-OG1 3.35Å; Q63-T181 PolarHBondContact OE1-OG1 3.42Å; G64-T181 PolarHBondContact N-OG1 3.14Å
182Q90.3Very high95.8Very high82 Ų8238.5 Ų38.538%0.38319%0.188SC..THydrogen-bonded Turntrans-134.864.6173.8-65.6-175.8-500109.8S180 H184S180-Q182 PolarHBondContact O-N 2.98Å; S180-Q182 VanDerWaalsContact O-N 3.14Å; S180-Q182 PolarHBondContact OG-N 3.46Å; S180-Q182 PolarHBondContact OG-O 3.37Å; Q182-H184 PolarHBondContact O-CE1 3.16Å; Q182-H184 PolarHBondContact O-N 3.48Å; Q182-H184 PolarHBondContact O-ND1 3.45Å
183A91Very high95.8Very high15 Ų1538.1 Ų38.112%0.12419%0.185CC..  trans-71.6110.6178.200000110.4Y162 Y176 S180Y162-A183 HydrophobicContact CE1-CB 4.33Å; Y176-A183 HydrophobicContact CD2-CB 3.98Å; Y176-A183 HydrophobicContact CE2-CB 4.42Å; Y176-A183 WeakPolarHBondContact O-CB 3.42Å; S180-A183 PolarHBondContact O-N 2.95Å; S180-A183 WeakPolarHBondContact OG-CA 3.21Å; S180-A183 PolarHBondContact OG-N 3.07Å
184H90.6Very high95.7Very high78 Ų7837.9 Ų37.936%0.36118%0.184SC..  trans-73.2-26.6-177.1-65.694.6000114.4Y160 Q182Y160-H184 AromaticContact CD1-ND1 3.8Å; Y160-H184 HydrophobicContact CD2-CB 3.88Å; Y160-H184 HydrophobicContact CE1-CB 4.24Å; Y160-H184 AromaticContact CE1-CE1 3.85Å; Y160-H184 AromaticContact CE1-CG 3.75Å; Y160-H184 AromaticContact CE1-ND1 3.42Å; Y160-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y160-H184 HydrophobicContact CE2-CB 3.52Å; Y160-H184 AromaticContact CE2-CG 3.92Å; Y160-H184 HydrophobicContact CG-CB 4.42Å; Y160-H184 AromaticContact CZ-CG 3.55Å; Y160-H184 AromaticContact CZ-ND1 3.75Å; Q182-H184 PolarHBondContact O-CE1 3.16Å; Q182-H184 PolarHBondContact O-N 3.48Å; Q182-H184 PolarHBondContact O-ND1 3.45Å
185T94.3Very high95.3Very high29 Ų2938.7 Ų38.718%0.17819%0.192CC..  trans-162.7153.3-175.8-177.80000111Q153 Y160 Y162 Q187Q153-T185 HydrophobicContact CG-CG2 4.1Å; Y160-T185 HydrophobicContact CD2-CG2 4.17Å; Y162-T185 PolarHBondContact OH-N 2.97Å; Y162-T185 PolarHBondContact OH-O 3.1Å; T185-Q187 VanDerWaalsContact C-N 3.3Å; T185-Q187 HydrophobicContact CG2-CB 3.95Å; T185-Q187 VanDerWaalsContact OG1-CB 3.28Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.21Å; T185-Q187 PolarHBondContact OG1-N 2.91Å
186N95.4Very high94.4Very high30 Ų3043.4 Ų43.416%0.1621%0.212CC..SBendtrans-86.91167.169-18.6000112.7E138 V139 Y176 V188E138-N186 VanDerWaalsContact CA-O 3.32Å; E138-N186 WeakPolarHBondContact CA-O 3.45Å; E138-N186 WeakPolarHBondContact CG-OD1 3.45Å; E138-N186 PolarHBondContact OE2-ND2 3.41Å; V139-N186 PolarHBondContact N-O 3.33Å; Y176-N186 VanDerWaalsContact CB-CB 3.44Å; Y176-N186 HydrophobicContact CD1-CB 4.07Å; Y176-N186 HydrophobicContact CD2-CB 4.28Å; Y176-N186 HydrophobicContact CG-CB 3.67Å; N186-V188 PolarHBondContact O-N 3.42Å
187Q97.2Very high94.4Very high39 Ų3942 Ų4218%0.18221%0.209CC..BIsolated β-bridgetrans-65.1115.2174.2-175.5-176.14.300109.1K137 Q153 T185 Q189K137-Q187 HydrophobicContact CB-CG 4.32Å; K137-Q187 CarbonylContact O-C 3.54Å; K137-Q187 WeakPolarHBondContact O-CA 3.1Å; K137-Q187 WeakPolarHBondContact O-CG 3.32Å; Q153-Q187 WeakPolarHBondContact CA-O 3.17Å; Q153-Q187 HydrophobicContact CG-CB 4.19Å; Q153-Q187 HydrophobicContact CG-CG 4.06Å; T185-Q187 VanDerWaalsContact C-N 3.3Å; T185-Q187 HydrophobicContact CG2-CB 3.95Å; T185-Q187 VanDerWaalsContact OG1-CB 3.28Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.21Å; T185-Q187 PolarHBondContact OG1-N 2.91Å; Q187-Q189 HydrophobicContact CG-CG 4.26Å
188V97.5Very high94.3Very high0 Ų039.5 Ų39.50%020%0.195CC..  trans-137.6122.2177.61760000107.3L129 K137 V139 M142 A151 Y152 Y162 F179 N186L129-V188 HydrophobicContact CD1-CG1 3.98Å; L129-V188 WeakPolarHBondContact CD1-O 3.35Å; K137-V188 CarbonylContact O-C 3.57Å; K137-V188 PolarHBondContact O-N 3.4Å; K137-V188 VanDerWaalsContact O-O 3.08Å; V139-V188 HydrophobicContact CB-CB 4.11Å; V139-V188 HydrophobicContact CG2-CB 3.86Å; V139-V188 HydrophobicContact CG2-CG1 4.24Å; M142-V188 HydrophobicContact CE-CB 4.13Å; M142-V188 HydrophobicContact CE-CG1 3.96Å; M142-V188 HydrophobicContact CE-CG2 3.81Å; A151-V188 HydrophobicContact CB-CG1 3.79Å; A151-V188 HydrophobicContact CB-CG2 4.43Å; Y152-V188 WeakPolarHBondContact O-CA 3.48Å; Y162-V188 HydrophobicContact CD2-CG2 4.34Å; Y162-V188 HydrophobicContact CE2-CG2 4.46Å; F179-V188 HydrophobicContact CE2-CG2 4.36Å; N186-V188 PolarHBondContact O-N 3.42Å
189Q97.9Very high94.1Very high18 Ų1838.6 Ų38.68%0.08419%0.191CC..  trans-131.1-7.3-173.4-60.5-167.6-95.100113.9S128 L129 K137 Y152 Q153 P155 Q187S128-Q189 CarbonylContact C-O 3.58Å; S128-Q189 WeakPolarHBondContact CA-O 3.27Å; L129-Q189 PolarHBondContact N-O 2.81Å; K137-Q189 HydrophobicContact CB-CG 4.29Å; Y152-Q189 PolarHBondContact O-N 2.85Å; Q153-Q189 WeakPolarHBondContact O-CB 3.27Å; Q153-Q189 VanDerWaalsContact O-CG 3.26Å; Q153-Q189 WeakPolarHBondContact O-CG 3.48Å; Q153-Q189 PolarHBondContact O-OE1 3.34Å; P155-Q189 HydrophobicContact CG-CB 3.95Å; Q187-Q189 HydrophobicContact CG-CG 4.26Å
190S97.9Very high94Very high0 Ų040.7 Ų40.70%020%0.202CC..EExtended strand (participates in β ladder)trans-147.3155.6164.560.40000110.3Y126 P127 Y152 F154 Y157Y126-S190 VanDerWaalsContact O-CA 3.27Å; Y126-S190 WeakPolarHBondContact O-CA 3.44Å; Y126-S190 VanDerWaalsContact O-CB 3.22Å; Y126-S190 WeakPolarHBondContact O-CB 3.48Å; P127-S190 WeakPolarHBondContact O-CB 3.22Å; Y152-S190 WeakPolarHBondContact CB-OG 3.26Å; Y152-S190 PolarHBondContact N-O 2.95Å; Y152-S190 PolarHBondContact O-N 2.64Å; F154-S190 PolarHBondContact O-OG 2.93Å; Y157-S190 WeakPolarHBondContact CA-OG 3.33Å; Y157-S190 PolarHBondContact N-OG 3.33Å
191I98.3Very high94Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-155.4143-176.4-170.7174.9000108.8V107 L109 M122 Y126 L129 M142 W149 V150 A151V107-I191 HydrophobicContact CG1-CD1 4.19Å; L109-I191 HydrophobicContact CD2-CD1 4.33Å; M122-I191 HydrophobicContact CE-CD1 4.01Å; M122-I191 HydrophobicContact CE-CG2 3.46Å; M122-I191 VanDerWaalsContact CE-CG2 3.46Å; M122-I191 HydrophobicContact SD-CG2 4.16Å; Y126-I191 CarbonylContact C-O 3.43Å; Y126-I191 WeakPolarHBondContact CA-O 3.44Å; Y126-I191 PolarHBondContact N-O 3.25Å; Y126-I191 PolarHBondContact O-N 2.95Å; L129-I191 HydrophobicContact CD2-CG2 3.79Å; L129-I191 HydrophobicContact CG-CG2 4.48Å; M142-I191 HydrophobicContact SD-CD1 4.4Å; W149-I191 HydrophobicContact CB-CD1 4.37Å; W149-I191 HydrophobicContact CB-CG1 4.44Å; W149-I191 HydrophobicContact CE3-CD1 4.13Å; W149-I191 HydrophobicContact CE3-CG1 3.88Å; V150-I191 WeakPolarHBondContact O-CA 3.44Å; V150-I191 WeakPolarHBondContact O-CG1 3.28Å; A151-I191 HydrophobicContact CB-CD1 4.18Å; A151-I191 HydrophobicContact CB-CG1 4.1Å
192R98.1Very high94.1Very high32 Ų3240 Ų4012%0.12119%0.19CC..EExtended strand (participates in β ladder)trans-143.6158.717866.9-179.2-172.986.4-12.8111.1E70 D125 W149 V150 Y152 Y157E70-R192 IonicContact OE1-CZ 3.62Å; E70-R192 IonicContact OE1-NH1 3.02Å; E70-R192 PolarHBondContact OE1-NH1 2.96Å; E70-R192 IonicContact OE1-NH2 2.96Å; E70-R192 IonicContact OE2-CZ 3.24Å; E70-R192 IonicContact OE2-NH1 3.72Å; E70-R192 PolarHBondContact OE2-NH1 2.94Å; E70-R192 IonicContact OE2-NH2 3.01Å; E70-R192 PolarHBondContact OE2-NH2 3.13Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.22Å; D125-R192 WeakPolarHBondContact OD1-CB 3.33Å; W149-R192 WeakPolarHBondContact CA-O 3.32Å; V150-R192 HydrophobicContact CG1-CG 3.52Å; V150-R192 PolarHBondContact N-O 2.91Å; V150-R192 PolarHBondContact O-N 2.92Å; Y152-R192 HydrophobicContact CE2-CG 4.09Å; Y152-R192 PolarHBondContact OH-NE 3.19Å; Y152-R192 VanDerWaalsContact OH-NE 3.13Å; Y157-R192 HydrophobicContact CD1-CB 4.44Å; Y157-R192 HydrophobicContact CD1-CG 4.37Å; Y157-R192 HydrophobicContact CE1-CB 3.85Å; Y157-R192 HydrophobicContact CE1-CG 4.26Å
193R98.3Very high94.4Very high34 Ų3437 Ų3713%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-69.3144.6171-57.1168.2-69-167.34.2108.8H102 C123 D124 D125 W149H102-R193 PolarHBondContact CE1-NE 2.86Å; H102-R193 WeakPolarHBondContact O-CD 3.42Å; C123-R193 WeakPolarHBondContact O-CD 3.43Å; C123-R193 PolarHBondContact O-NH1 3.06Å; D124-R193 IonicContact OD1-CZ 3.46Å; D124-R193 IonicContact OD1-NH1 3.45Å; D124-R193 PolarHBondContact OD1-NH1 3.19Å; D124-R193 IonicContact OD1-NH2 3.42Å; D124-R193 PolarHBondContact OD1-NH2 3.39Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.28Å; D125-R193 IonicContact OD1-CZ 2.75Å; D125-R193 PolarHBondContact OD1-N 3.01Å; D125-R193 IonicContact OD1-NE 3.4Å; D125-R193 PolarHBondContact OD1-NE 3.02Å; D125-R193 IonicContact OD1-NH2 3.75Å; D125-R193 IonicContact OD2-CZ 3.28Å; D125-R193 IonicContact OD2-NE 2.73Å; D125-R193 IonicContact OD2-NH2 3.75Å; D125-R193 PolarHBondContact OD2-NH2 2.84Å; W149-R193 HydrophobicContact CD2-CG 4.24Å; W149-R193 HydrophobicContact CE3-CG 3.94Å; W149-R193 HydrophobicContact CH2-CG 3.46Å; W149-R193 VanDerWaalsContact CH2-CG 3.46Å; W149-R193 HydrophobicContact CZ2-CG 3.74Å; W149-R193 HydrophobicContact CZ3-CG 3.57Å
194I97.2Very high94.7Very high0 Ų038.7 Ų38.70%018%0.18CC..PPolyproline II helixtrans-83.9135.4172.6-68.3168.9000109.1P53 I68 E70 I97 A100 A148 W149 V150 I163P53-I194 HydrophobicContact CB-CG2 3.54Å; P53-I194 HydrophobicContact CG-CG2 3.37Å; I68-I194 HydrophobicContact CD1-CD1 3.66Å; I68-I194 HydrophobicContact CD1-CG1 3.86Å; I68-I194 HydrophobicContact CD1-CG2 3.84Å; I68-I194 HydrophobicContact CG1-CD1 4.49Å; I68-I194 HydrophobicContact CG1-CG1 4.29Å; E70-I194 HydrophobicContact CG-CG2 4.46Å; I97-I194 HydrophobicContact CD1-CD1 3.93Å; A100-I194 HydrophobicContact CB-CG2 4.07Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.9Å; A148-I194 PolarHBondContact O-N 3.17Å; W149-I194 WeakPolarHBondContact O-CD1 3.4Å; V150-I194 HydrophobicContact CB-CD1 4.36Å; V150-I194 HydrophobicContact CB-CG1 4.25Å; V150-I194 HydrophobicContact CG1-CG1 4.05Å; I163-I194 HydrophobicContact CD1-CD1 4.33Å; I163-I194 HydrophobicContact CG2-CD1 4.02Å
195Q90.2Very high95Very high109 Ų10935.4 Ų35.451%0.50917%0.165SC..PPolyproline II helixtrans-85.8137.4176-61.7-175.4-1.300110.6P53 E70P53-Q195 WeakPolarHBondContact CB-O 3.48Å; P53-Q195 VanDerWaalsContact CG-O 3.27Å; P53-Q195 WeakPolarHBondContact CG-O 3.43Å; E70-Q195 HydrophobicContact CG-CB 4.45Å; E70-Q195 PolarHBondContact OE1-N 3.21Å
196H77.9Confident95.1Very high134 Ų13436 Ų3662%0.6216%0.164SC*.  trans-100.70173.960.4-79.1000110.9A100 H102A100-H196 HydrophobicContact CB-CB 4.4Å; H102-H196 PolarHBondContact N-ND1 3.17Å

Retrieved 196 of 196 residues in 161 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).