A0A060VZU1_ONCMY Loading...

Beta-crystallin A2

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

AlphaFold DB , UniProt , Accession A0A060VZU1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501534, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low52.5Low197 Ų197114.9 Ų114.997%0.9759%0.594SS**  01350-65.3176.4-151.100107
2N47.3Very low56Low119 Ų119105.8 Ų105.864%0.63655%0.547SS*.  trans-84.4153.9-175.8-108.74.3000111.6Q4 Q5 M6N2-Q4 PolarHBondContact O-N 3.31Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; N2-Q5 WeakPolarHBondContact O-CB 3.4Å; N2-Q5 PolarHBondContact O-N 3.42Å; N2-M6 PolarHBondContact O-N 3.17Å
3T45.2Very low59.2Low100 Ų100102 Ų10261%0.61352%0.524SS*.Hα-helixtrans-54.6-35.4-176.7-32.80000113.3Q5 M6 E7T3-Q5 PolarHBondContact O-N 3.16Å; T3-M6 PolarHBondContact O-N 3.44Å; T3-M6 VanDerWaalsContact O-N 3.16Å; T3-E7 PolarHBondContact O-N 3.14Å
4Q50.1Low62Low145 Ų14594.7 Ų94.768%0.67849%0.486SS*.Hα-helixtrans-65.1-32.2174.2-76177.4-14.400114.1N2 Q8N2-Q4 PolarHBondContact O-N 3.31Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; Q4-Q8 PolarHBondContact O-N 2.78Å
5Q45.2Very low64.4Low114 Ų11488.5 Ų88.553%0.53345%0.454SS..Hα-helixtrans-72.7-33.2173.5-77.2175.1-3000110.9N2 T3 M9N2-Q5 WeakPolarHBondContact O-CB 3.4Å; N2-Q5 PolarHBondContact O-N 3.42Å; T3-Q5 PolarHBondContact O-N 3.16Å; Q5-M9 VanDerWaalsContact O-CG 3.31Å; Q5-M9 WeakPolarHBondContact O-CG 3.36Å; Q5-M9 PolarHBondContact O-N 3.48Å
6M45.9Very low66.5Low125 Ų12582.9 Ų82.962%0.61643%0.426SS*.Hα-helixtrans-73-33.3177-63.1179.790.600112.2N2 T3 M9N2-M6 PolarHBondContact O-N 3.17Å; T3-M6 PolarHBondContact O-N 3.44Å; T3-M6 VanDerWaalsContact O-N 3.16Å; M6-M9 PolarHBondContact O-N 2.9Å
7E52Low68.4Low141 Ų14179.5 Ų79.566%0.65941%0.406SS*.Hα-helixtrans-68.3-35173.4-74.6171.7177.700112.6T3 M9T3-E7 PolarHBondContact O-N 3.14Å; E7-M9 VanDerWaalsContact C-N 3.33Å; E7-M9 PolarHBondContact O-N 3.37Å
8Q52.2Low70Confident60 Ų6077.4 Ų77.428%0.2840%0.395SS..Hα-helixtrans-70.3-26.5175.5-77.6-179.319.300113.4Q4 G10 Q11Q4-Q8 PolarHBondContact O-N 2.78Å; Q8-G10 PolarHBondContact O-N 2.69Å; Q8-Q11 PolarHBondContact O-N 3.04Å; Q8-Q11 VanDerWaalsContact O-N 3.14Å
9M49.5Very low71.4Confident98 Ų9879 Ų7948%0.48340%0.4SS..THydrogen-bonded Turntrans-67.9-3.3-173.4-81.8177.569.400115.5Q5 M6 E7Q5-M9 VanDerWaalsContact O-CG 3.31Å; Q5-M9 WeakPolarHBondContact O-CG 3.36Å; Q5-M9 PolarHBondContact O-N 3.48Å; M6-M9 PolarHBondContact O-N 2.9Å; E7-M9 VanDerWaalsContact C-N 3.33Å; E7-M9 PolarHBondContact O-N 3.37Å
10G58.8Low72.8Confident53 Ų5378.6 Ų78.655%0.54640%0.397SS..THydrogen-bonded Turntrans-116.5-8.7172.400000114.9Q8 N51Q8-G10 PolarHBondContact O-N 2.69Å; G10-N51 PolarHBondContact O-ND2 2.79Å
11Q82.4Confident74Confident112 Ų11278.6 Ų78.652%0.52340%0.398SS..THydrogen-bonded Turntrans-84.6-29-170.8-168.6176.911.800112.9Q8 N51Q8-Q11 PolarHBondContact O-N 3.04Å; Q8-Q11 VanDerWaalsContact O-N 3.14Å; Q11-N51 VanDerWaalsContact O-CB 3.31Å; Q11-N51 WeakPolarHBondContact O-CB 3.42Å
12F95Very high76.3Confident6 Ų671.4 Ų71.43%0.02636%0.361CS..  trans-128.1138.7-177.5-60.6-82.4000110.6L30 N51 G52 W54 P96 K98F12-L30 WeakPolarHBondContact O-CD2 3.31Å; F12-N51 WeakPolarHBondContact CA-O 3.31Å; F12-G52 WeakPolarHBondContact CE1-O 3.4Å; F12-W54 HydrophobicContact CB-CH2 4.29Å; F12-W54 HydrophobicContact CB-CZ2 3.49Å; F12-W54 VanDerWaalsContact CB-CZ2 3.49Å; F12-P96 HydrophobicContact CB-CB 4.16Å; F12-P96 HydrophobicContact CD1-CB 3.52Å; F12-P96 HydrophobicContact CD2-CB 3.81Å; F12-P96 HydrophobicContact CD2-CG 4.45Å; F12-P96 HydrophobicContact CE1-CB 3.78Å; F12-P96 HydrophobicContact CE2-CB 4.07Å; F12-P96 HydrophobicContact CG-CB 3.54Å; F12-P96 HydrophobicContact CG-CG 4.48Å; F12-P96 HydrophobicContact CZ-CB 4.05Å; F12-K98 HydrophobicContact CE2-CG 4.34Å; F12-K98 HydrophobicContact CZ-CG 4.41Å
13K97.3Very high78.8Confident56 Ų5671 Ų7124%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-153.1124175.8-177.3175.4169.5134.90110E28 L30 E50 N51K13-E28 WeakPolarHBondContact CE-OE1 3.45Å; K13-E28 WeakPolarHBondContact CE-OE2 3.31Å; K13-E28 HydrophobicContact CG-CG 4.23Å; K13-E28 IonicContact NZ-OE1 3.12Å; K13-E28 PolarHBondContact NZ-OE1 2.93Å; K13-E28 IonicContact NZ-OE2 2.78Å; K13-E28 PolarHBondContact NZ-OE2 2.98Å; K13-L30 HydrophobicContact CB-CD2 4.11Å; K13-L30 HydrophobicContact CG-CD2 4.12Å; K13-E50 HydrophobicContact CB-CB 4.2Å; K13-E50 HydrophobicContact CD-CB 3.98Å; K13-E50 HydrophobicContact CD-CG 4.22Å; K13-E50 HydrophobicContact CG-CB 4.1Å; K13-E50 HydrophobicContact CG-CG 4.46Å; K13-E50 PolarHBondContact O-N 3.01Å; K13-E50 VanDerWaalsContact O-N 3.09Å; K13-N51 HydrophobicContact CB-CB 4.22Å; K13-N51 PolarHBondContact N-O 3.3Å; K13-N51 PolarHBondContact O-N 3.3Å; K13-N51 VanDerWaalsContact O-N 3.16Å; K13-N51 VanDerWaalsContact O-O 3.05Å
14I98.3Very high81.3Confident0 Ų068.4 Ų68.40%035%0.349CS..EExtended strand (participates in β ladder)trans-132.2134.6173.2-172.8173.4000108.9V16 F29 I47 K48 V49 W54 L69 F94I14-V16 HydrophobicContact CD1-CG1 4.38Å; I14-V16 HydrophobicContact CG1-CG1 4.23Å; I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.27Å; I14-F29 PolarHBondContact O-N 3.16Å; I14-I47 HydrophobicContact CD1-CG2 3.6Å; I14-I47 HydrophobicContact CG1-CG2 3.59Å; I14-K48 CarbonylContact C-O 3.56Å; I14-K48 WeakPolarHBondContact CA-O 3.23Å; I14-V49 HydrophobicContact CD1-CG2 4.16Å; I14-V49 HydrophobicContact CG1-CG2 4.09Å; I14-W54 HydrophobicContact CB-CD2 3.99Å; I14-W54 HydrophobicContact CB-CG 4.33Å; I14-W54 HydrophobicContact CB-CZ2 3.96Å; I14-W54 HydrophobicContact CD1-CB 4.36Å; I14-W54 HydrophobicContact CD1-CD2 4.36Å; I14-W54 HydrophobicContact CD1-CG 4.21Å; I14-W54 HydrophobicContact CG2-CD2 3.75Å; I14-W54 HydrophobicContact CG2-CE3 3.79Å; I14-W54 HydrophobicContact CG2-CH2 3.55Å; I14-W54 HydrophobicContact CG2-CZ2 3.48Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.48Å; I14-W54 HydrophobicContact CG2-CZ3 3.7Å; I14-L69 HydrophobicContact CD1-CD1 3.93Å; I14-F94 HydrophobicContact CG2-CD2 4.12Å; I14-F94 HydrophobicContact CG2-CE2 3.79Å
15T98.5Very high83.5Confident1 Ų165.8 Ų65.81%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-113134.1171-53.20000109W17 C27 I47 K48 E50T15-W17 VanDerWaalsContact C-CZ3 3.49Å; T15-W17 VanDerWaalsContact CB-CH2 3.43Å; T15-W17 VanDerWaalsContact CB-CZ3 3.45Å; T15-W17 HydrophobicContact CG2-CD2 4.33Å; T15-W17 HydrophobicContact CG2-CE3 4Å; T15-W17 HydrophobicContact CG2-CH2 3.17Å; T15-W17 HydrophobicContact CG2-CZ2 3.57Å; T15-W17 HydrophobicContact CG2-CZ3 3.41Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.41Å; T15-W17 WeakPolarHBondContact O-CZ3 3.47Å; T15-C27 WeakPolarHBondContact CA-O 3.39Å; T15-I47 CarbonylContact O-C 3.57Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; T15-K48 PolarHBondContact N-O 2.75Å; T15-K48 PolarHBondContact O-N 2.81Å; T15-E50 PolarHBondContact OG1-OE1 2.9Å
16V98.4Very high86Confident0 Ų067.6 Ų67.60%034%0.337CS..EExtended strand (participates in β ladder)trans-122.1148.6179.8-52.30000110.5I14 R26 C27 F29 F41 I44 I47 F94I14-V16 HydrophobicContact CD1-CG1 4.38Å; I14-V16 HydrophobicContact CG1-CG1 4.23Å; V16-R26 VanDerWaalsContact O-CA 3.24Å; V16-R26 WeakPolarHBondContact O-CA 3.37Å; V16-C27 PolarHBondContact N-O 2.89Å; V16-C27 PolarHBondContact O-N 2.83Å; V16-F29 HydrophobicContact CG2-CD2 4.3Å; V16-F29 HydrophobicContact CG2-CE2 3.67Å; V16-F41 HydrophobicContact CG2-CD1 4.42Å; V16-F41 HydrophobicContact CG2-CE1 4.04Å; V16-F41 HydrophobicContact CG2-CZ 4.3Å; V16-I44 HydrophobicContact CB-CD1 3.96Å; V16-I44 HydrophobicContact CB-CG1 4.07Å; V16-I44 HydrophobicContact CB-CG2 4.06Å; V16-I44 HydrophobicContact CG1-CD1 3.95Å; V16-I44 HydrophobicContact CG1-CG2 4.43Å; V16-I44 HydrophobicContact CG2-CD1 4.09Å; V16-I44 HydrophobicContact CG2-CG1 4.2Å; V16-I47 HydrophobicContact CG1-CG1 4.3Å; V16-F94 HydrophobicContact CG1-CE1 4.17Å; V16-F94 HydrophobicContact CG1-CZ 4.24Å
17W98.4Very high88.5Confident24 Ų2463.4 Ų63.49%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-129145.7-178.8-74.4-101.3000111.7T15 E19 F22 Q23 K25 R26 R45 S46 K48T15-W17 VanDerWaalsContact C-CZ3 3.49Å; T15-W17 VanDerWaalsContact CB-CH2 3.43Å; T15-W17 VanDerWaalsContact CB-CZ3 3.45Å; T15-W17 HydrophobicContact CG2-CD2 4.33Å; T15-W17 HydrophobicContact CG2-CE3 4Å; T15-W17 HydrophobicContact CG2-CH2 3.17Å; T15-W17 HydrophobicContact CG2-CZ2 3.57Å; T15-W17 HydrophobicContact CG2-CZ3 3.41Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.41Å; T15-W17 WeakPolarHBondContact O-CZ3 3.47Å; W17-E19 VanDerWaalsContact C-N 3.29Å; W17-E19 PolarHBondContact O-N 3.11Å; W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.05Å; W17-F22 HydrophobicContact CD2-CD1 4.39Å; W17-F22 HydrophobicContact CE3-CB 4.45Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CG-CB 4.44Å; W17-F22 HydrophobicContact CH2-CD1 4.44Å; W17-F22 HydrophobicContact CZ2-CB 4.15Å; W17-F22 AromaticContact CZ3-CD1 3.99Å; W17-F22 HydrophobicContact CZ3-CD1 3.99Å; W17-F22 PolarHBondContact NE1-O 3.09Å; W17-Q23 WeakPolarHBondContact CB-O 3.22Å; W17-Q23 VanDerWaalsContact CD1-O 3.32Å; W17-K25 WeakPolarHBondContact CA-O 3.38Å; W17-R26 VanDerWaalsContact CD1-CB 3.43Å; W17-R26 HydrophobicContact CD2-CB 4.09Å; W17-R26 HydrophobicContact CG-CB 3.9Å; W17-R45 PolarHBondContact O-N 3.32Å; W17-S46 WeakPolarHBondContact CB-OG 3.36Å; W17-S46 PolarHBondContact N-O 3.3Å; W17-S46 PolarHBondContact O-N 3.44Å; W17-K48 HydrophobicContact CH2-CB 3.99Å; W17-K48 HydrophobicContact CH2-CD 3.79Å; W17-K48 HydrophobicContact CH2-CG 3.73Å; W17-K48 HydrophobicContact CZ3-CB 3.76Å; W17-K48 HydrophobicContact CZ3-CD 4.18Å; W17-K48 HydrophobicContact CZ3-CG 3.58Å
18E96.8Very high90.7Very high43 Ų4360.7 Ų60.720%0.20131%0.307CS..SBendtrans-73.6-18176.4-75.8-163139.600114K25 F41 Q42 K43 R45E18-K25 HydrophobicContact CB-CB 4.36Å; E18-K25 HydrophobicContact CG-CB 4Å; E18-K25 PolarHBondContact N-O 3.02Å; E18-K25 WeakPolarHBondContact OE2-CB 3.39Å; E18-F41 HydrophobicContact CG-CD1 3.33Å; E18-F41 HydrophobicContact CG-CE1 3.64Å; E18-F41 HydrophobicContact CG-CG 4.2Å; E18-F41 WeakPolarHBondContact OE1-CA 3.4Å; E18-Q42 PolarHBondContact OE1-N 2.77Å; E18-Q42 VanDerWaalsContact OE1-N 3.13Å; E18-K43 VanDerWaalsContact O-CE 3.3Å; E18-K43 WeakPolarHBondContact O-CE 3.49Å; E18-R45 WeakPolarHBondContact O-CB 3.3Å; E18-R45 WeakPolarHBondContact O-CG 3.36Å
19E97.6Very high92.8Very high107 Ų10758.4 Ų58.450%0.530%0.296SS..SBendtrans-120.2162.9178.1-60.7179-165.400112W17 Q23 R45 S46W17-E19 VanDerWaalsContact C-N 3.29Å; W17-E19 PolarHBondContact O-N 3.11Å; E19-Q23 HydrophobicContact CB-CB 4Å; E19-Q23 WeakPolarHBondContact CB-O 3.27Å; E19-Q23 PolarHBondContact N-O 3.33Å; E19-R45 WeakPolarHBondContact O-CB 3.27Å; E19-S46 PolarHBondContact O-N 2.66Å; E19-S46 PolarHBondContact O-OG 3.32Å
20E97.7Very high95Very high70 Ų7056.3 Ų56.333%0.32729%0.286SS..G310 helixtrans-68.4162.1176.1-65.6-177.3-178.700110.8F22 Q23 R45 P75 R76E20-F22 PolarHBondContact O-N 3.05Å; E20-Q23 PolarHBondContact O-N 2.91Å; E20-R45 HydrophobicContact CG-CB 4.06Å; E20-P75 CarbonylContact C-O 3.49Å; E20-P75 WeakPolarHBondContact CA-O 3.31Å; E20-P75 WeakPolarHBondContact CB-O 3.48Å; E20-R76 HydrophobicContact CG-CB 4.29Å
21N98.2Very high96.8Very high80 Ų8058.3 Ų58.343%0.42828%0.284SS..G310 helixtrans55.435.8176.7-48.7-67.7000113.4Q23 P75N21-Q23 PolarHBondContact O-N 2.85Å; N21-Q23 PolarHBondContact O-NE2 3.06Å; N21-P75 PolarHBondContact N-O 3.21Å
22F98.3Very high97.5Very high45 Ų4556.9 Ų56.920%0.19728%0.278CS..G310 helixtrans63.438.6172.7-37-65.9000113.8W17 E20 S46 I47 K48 D73 P75W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.05Å; W17-F22 HydrophobicContact CD2-CD1 4.39Å; W17-F22 HydrophobicContact CE3-CB 4.45Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CG-CB 4.44Å; W17-F22 HydrophobicContact CH2-CD1 4.44Å; W17-F22 HydrophobicContact CZ2-CB 4.15Å; W17-F22 AromaticContact CZ3-CD1 3.99Å; W17-F22 HydrophobicContact CZ3-CD1 3.99Å; W17-F22 PolarHBondContact NE1-O 3.09Å; E20-F22 PolarHBondContact O-N 3.05Å; F22-S46 VanDerWaalsContact CA-OG 3.27Å; F22-S46 WeakPolarHBondContact CA-OG 3.17Å; F22-S46 PolarHBondContact N-OG 3.34Å; F22-I47 WeakPolarHBondContact CE1-O 3.37Å; F22-K48 HydrophobicContact CD1-CD 4.2Å; F22-K48 HydrophobicContact CD1-CG 3.7Å; F22-K48 HydrophobicContact CE1-CD 4.29Å; F22-K48 HydrophobicContact CE1-CG 3.56Å; F22-K48 VanDerWaalsContact CG-CE 3.46Å; F22-K48 HydrophobicContact CG-CG 4.47Å; F22-K48 HydrophobicContact CZ-CG 4.23Å; F22-D73 HydrophobicContact CE2-CB 4.5Å; F22-D73 HydrophobicContact CZ-CB 3.82Å; F22-P75 HydrophobicContact CE2-CB 4.22Å; F22-P75 HydrophobicContact CZ-CB 3.96Å
23Q98.2Very high97.6Very high112 Ų11256.7 Ų56.752%0.52328%0.277SS..  trans-109.9170.1-179-57.7-53.5-5300112.9W17 E19 E20 N21W17-Q23 WeakPolarHBondContact CB-O 3.22Å; W17-Q23 VanDerWaalsContact CD1-O 3.32Å; E19-Q23 HydrophobicContact CB-CB 4Å; E19-Q23 WeakPolarHBondContact CB-O 3.27Å; E19-Q23 PolarHBondContact N-O 3.33Å; E20-Q23 PolarHBondContact O-N 2.91Å; N21-Q23 PolarHBondContact O-N 2.85Å; N21-Q23 PolarHBondContact O-NE2 3.06Å
24G97.4Very high97.7Very high45 Ų4558.4 Ų58.446%0.46429%0.286SS..SBendtrans72.5-156.9177.800000113.7R26G24-R26 PolarHBondContact O-N 2.92Å
25K97.7Very high97.6Very high89 Ų8959.8 Ų59.839%0.38729%0.293SS..SBendtrans-61.6132.9178.8-179.2-179.7173.9-179.90109.9W17 E18 R39 G40 F41W17-K25 WeakPolarHBondContact CA-O 3.38Å; E18-K25 HydrophobicContact CB-CB 4.36Å; E18-K25 HydrophobicContact CG-CB 4Å; E18-K25 PolarHBondContact N-O 3.02Å; E18-K25 WeakPolarHBondContact OE2-CB 3.39Å; K25-R39 PolarHBondContact NZ-O 2.89Å; K25-G40 PolarHBondContact NZ-O 3.42Å; K25-F41 HydrophobicContact CD-CE2 4.21Å; K25-F41 HydrophobicContact CD-CZ 4.2Å; K25-F41 HydrophobicContact CG-CE1 4.28Å; K25-F41 HydrophobicContact CG-CE2 4.3Å; K25-F41 HydrophobicContact CG-CZ 3.86Å
26R97.7Very high97.6Very high152 Ų15259.8 Ų59.857%0.57429%0.293SS*.EExtended strand (participates in β ladder)trans-128.1151.7178.283.5179.5-178.892.21.8112.8V16 W17 G24V16-R26 VanDerWaalsContact O-CA 3.24Å; V16-R26 WeakPolarHBondContact O-CA 3.37Å; W17-R26 VanDerWaalsContact CD1-CB 3.43Å; W17-R26 HydrophobicContact CD2-CB 4.09Å; W17-R26 HydrophobicContact CG-CB 3.9Å; G24-R26 PolarHBondContact O-N 2.92Å
27C97.9Very high97.5Very high37 Ų3765 Ų6525%0.2532%0.319CS..EExtended strand (participates in β ladder)trans-147.1141.1174.3-172.20000110.1T15 V16 F29 F41T15-C27 WeakPolarHBondContact CA-O 3.39Å; V16-C27 PolarHBondContact N-O 2.89Å; V16-C27 PolarHBondContact O-N 2.83Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.19Å; C27-F41 HydrophobicContact CB-CE2 3.36Å; C27-F41 HydrophobicContact CB-CZ 3.44Å; C27-F41 VanDerWaalsContact CB-CZ 3.44Å
28E97.6Very high97.3Very high84 Ų8470 Ų7039%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-102.3138179.1179.5176.5138.500109.5K13K13-E28 WeakPolarHBondContact CE-OE1 3.45Å; K13-E28 WeakPolarHBondContact CE-OE2 3.31Å; K13-E28 HydrophobicContact CG-CG 4.23Å; K13-E28 IonicContact NZ-OE1 3.12Å; K13-E28 PolarHBondContact NZ-OE1 2.93Å; K13-E28 IonicContact NZ-OE2 2.78Å; K13-E28 PolarHBondContact NZ-OE2 2.98Å
29F97.1Very high97.2Very high12 Ų1273.4 Ų73.45%0.05335%0.354CS..EExtended strand (participates in β ladder)trans-128.1133.3-179.6-62.5-100.7000110.4I14 V16 C27 C33 R39 W54 F94I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.27Å; I14-F29 PolarHBondContact O-N 3.16Å; V16-F29 HydrophobicContact CG2-CD2 4.3Å; V16-F29 HydrophobicContact CG2-CE2 3.67Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.19Å; F29-C33 HydrophobicContact CD1-CB 3.9Å; F29-C33 HydrophobicContact CE1-CB 3.7Å; F29-R39 HydrophobicContact CE1-CG 3.78Å; F29-R39 HydrophobicContact CZ-CB 4.24Å; F29-R39 HydrophobicContact CZ-CG 3.8Å; F29-W54 HydrophobicContact CB-CH2 4.39Å; F29-F94 HydrophobicContact CB-CE2 3.76Å; F29-F94 HydrophobicContact CB-CZ 4.25Å; F29-F94 AromaticContact CD1-CE2 3.9Å; F29-F94 HydrophobicContact CD1-CE2 3.9Å; F29-F94 AromaticContact CD1-CZ 3.79Å; F29-F94 HydrophobicContact CD1-CZ 3.79Å; F29-F94 AromaticContact CD2-CE2 3.94Å; F29-F94 HydrophobicContact CD2-CE2 3.94Å; F29-F94 AromaticContact CD2-CZ 3.52Å; F29-F94 HydrophobicContact CD2-CZ 3.52Å; F29-F94 HydrophobicContact CE1-CE2 4.46Å; F29-F94 AromaticContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE1-CZ 3.92Å; F29-F94 AromaticContact CE2-CZ 3.68Å; F29-F94 HydrophobicContact CE2-CZ 3.68Å; F29-F94 AromaticContact CG-CE2 3.61Å; F29-F94 HydrophobicContact CG-CE2 3.61Å; F29-F94 AromaticContact CG-CZ 3.59Å; F29-F94 HydrophobicContact CG-CZ 3.59Å; F29-F94 AromaticContact CZ-CZ 3.86Å; F29-F94 HydrophobicContact CZ-CZ 3.86Å
30L96.2Very high97.1Very high54 Ų5470.3 Ų70.328%0.28335%0.351SS..SBendtrans-109.1-10.5173.7-53.9177.4000111.8F12 K13F12-L30 WeakPolarHBondContact O-CD2 3.31Å; K13-L30 HydrophobicContact CB-CD2 4.11Å; K13-L30 HydrophobicContact CG-CD2 4.12Å
31L95.4Very high97Very high96 Ų9667.1 Ų67.150%0.50334%0.336SS..SBendtrans-133.8173.2-178.6-61.5176.2000109.3W54L31-W54 WeakPolarHBondContact O-CH2 3.47Å; L31-W54 WeakPolarHBondContact O-CZ3 3.45Å
32E97.4Very high96.7Very high82 Ų8271.1 Ų71.138%0.38335%0.352SS..  trans-58.1150.5174.964.6-173.3-134.900113.6Q34 F62 F94 R95E32-Q34 PolarHBondContact OE1-NE2 3.04Å; E32-F62 HydrophobicContact CB-CE1 4.27Å; E32-F62 HydrophobicContact CB-CZ 3.91Å; E32-F62 HydrophobicContact CG-CZ 4.15Å; E32-F94 CarbonylContact C-O 3.36Å; E32-F94 WeakPolarHBondContact CA-O 3.24Å; E32-R95 HydrophobicContact CB-CB 3.58Å
33C98Very high96.6Very high2 Ų273.5 Ų73.51%0.01436%0.362CS..BIsolated β-bridgetrans-125.6111.1171.3-176.60000108.2F29 S93 F94F29-C33 HydrophobicContact CD1-CB 3.9Å; F29-C33 HydrophobicContact CE1-CB 3.7Å; C33-S93 CarbonylContact O-C 3.48Å; C33-S93 WeakPolarHBondContact O-CA 3.45Å; C33-S93 WeakPolarHBondContact O-CB 3.22Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.23Å; C33-F94 HydrophobicContact CB-CE1 3.95Å; C33-F94 HydrophobicContact CB-CE2 3.71Å; C33-F94 HydrophobicContact CB-CZ 3.55Å; C33-F94 PolarHBondContact N-O 2.81Å; C33-F94 PolarHBondContact O-N 2.99Å
34Q98.1Very high96.5Very high92 Ų9268.2 Ų68.243%0.4334%0.338SS..SBendtrans-76.4-25.2-179.9-69.9179.325.300112.6E32 P60 E61 F62 S93E32-Q34 PolarHBondContact OE1-NE2 3.04Å; Q34-P60 CarbonylContact O-C 3.54Å; Q34-P60 VanDerWaalsContact O-CA 3.27Å; Q34-P60 WeakPolarHBondContact O-CA 3.33Å; Q34-E61 PolarHBondContact O-N 2.82Å; Q34-F62 HydrophobicContact CB-CZ 4.38Å; Q34-F62 HydrophobicContact CG-CE1 4.16Å; Q34-F62 HydrophobicContact CG-CE2 3.67Å; Q34-F62 HydrophobicContact CG-CZ 3.39Å; Q34-S93 VanDerWaalsContact O-CB 3.23Å; Q34-S93 WeakPolarHBondContact O-CB 3.45Å
35N98Very high96.5Very high29 Ų2968.7 Ų68.716%0.15533%0.326CS..  trans-155.6114.9177.8-172.6-10.2000110.7M37 E38 P60 L92N35-M37 WeakPolarHBondContact ND2-CE 3.4Å; N35-M37 PolarHBondContact O-N 2.96Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.49Å; N35-M37 VanDerWaalsContact OD1-CE 3.31Å; N35-M37 WeakPolarHBondContact OD1-CE 3.42Å; N35-M37 WeakPolarHBondContact OD1-CG 3.43Å; N35-M37 PolarHBondContact OD1-N 3.04Å; N35-E38 HydrophobicContact CB-CG 4.11Å; N35-E38 WeakPolarHBondContact O-CB 3.37Å; N35-E38 PolarHBondContact O-N 2.85Å; N35-P60 HydrophobicContact CB-CB 4.2Å; N35-L92 WeakPolarHBondContact CA-O 3.33Å
36I97.6Very high96.5Very high1 Ų164.4 Ų64.41%0.00531%0.307CS..G310 helixtrans-63.8-23.3-178.866.4165.3000112.9E38 R39 G40 F41 I44 L92 F94I36-E38 PolarHBondContact O-N 2.97Å; I36-R39 CarbonylContact O-C 3.54Å; I36-R39 WeakPolarHBondContact O-CA 3.35Å; I36-R39 PolarHBondContact O-N 3.44Å; I36-G40 PolarHBondContact O-N 2.94Å; I36-F41 HydrophobicContact CB-CB 3.99Å; I36-F41 HydrophobicContact CD1-CB 3.98Å; I36-F41 HydrophobicContact CG1-CB 4.18Å; I36-F41 PolarHBondContact O-N 3.25Å; I36-F41 VanDerWaalsContact O-N 3.1Å; I36-I44 HydrophobicContact CD1-CD1 4.29Å; I36-I44 HydrophobicContact CD1-CG1 4.02Å; I36-I44 HydrophobicContact CG2-CD1 3.74Å; I36-L92 HydrophobicContact CD1-CD2 3.6Å; I36-L92 HydrophobicContact CG1-CD2 3.88Å; I36-L92 WeakPolarHBondContact CG2-O 3.48Å; I36-L92 PolarHBondContact N-O 2.75Å; I36-F94 HydrophobicContact CG2-CD1 4.43Å; I36-F94 HydrophobicContact CG2-CE1 3.86Å
37M96.3Very high96.6Very high110 Ų11057.2 Ų57.254%0.54228%0.28SS..G310 helixtrans-64.5-29178.7-63.1-174.6-74.900111.8N35 R39 G40 F41 P60N35-M37 WeakPolarHBondContact ND2-CE 3.4Å; N35-M37 PolarHBondContact O-N 2.96Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.49Å; N35-M37 VanDerWaalsContact OD1-CE 3.31Å; N35-M37 WeakPolarHBondContact OD1-CE 3.42Å; N35-M37 WeakPolarHBondContact OD1-CG 3.43Å; N35-M37 PolarHBondContact OD1-N 3.04Å; M37-R39 PolarHBondContact O-N 3.43Å; M37-G40 WeakPolarHBondContact O-CA 3.47Å; M37-G40 PolarHBondContact O-N 2.72Å; M37-F41 WeakPolarHBondContact CA-O 3.44Å; M37-P60 HydrophobicContact CE-CG 4.48Å
38E95Very high96.6Very high128 Ų12858 Ų5860%0.59828%0.279SS*.G310 helixtrans-68.6-16.5174-62.6176.7-173.900113.1N35 I36 G40N35-E38 HydrophobicContact CB-CG 4.11Å; N35-E38 WeakPolarHBondContact O-CB 3.37Å; N35-E38 PolarHBondContact O-N 2.85Å; I36-E38 PolarHBondContact O-N 2.97Å; E38-G40 VanDerWaalsContact C-N 3.33Å
39R93.4Very high96.6Very high114 Ų11454.1 Ų54.143%0.4326%0.261SS..G310 helixtrans-98.58.8171.1-56.9-63.2-174.9-84.6-3.1111.5K25 F29 I36 M37 F41K25-R39 PolarHBondContact NZ-O 2.89Å; F29-R39 HydrophobicContact CE1-CG 3.78Å; F29-R39 HydrophobicContact CZ-CB 4.24Å; F29-R39 HydrophobicContact CZ-CG 3.8Å; I36-R39 CarbonylContact O-C 3.54Å; I36-R39 WeakPolarHBondContact O-CA 3.35Å; I36-R39 PolarHBondContact O-N 3.44Å; M37-R39 PolarHBondContact O-N 3.43Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 HydrophobicContact CB-CD2 3.96Å; R39-F41 HydrophobicContact CB-CE2 4.4Å; R39-F41 WeakPolarHBondContact O-CD2 3.38Å; R39-F41 PolarHBondContact O-N 3.47Å
40G95.2Very high96.6Very high42 Ų4256.3 Ų56.343%0.43327%0.272SS..THydrogen-bonded Turntrans6824.8-178.200000113.5K25 I36 M37 E38K25-G40 PolarHBondContact NZ-O 3.42Å; I36-G40 PolarHBondContact O-N 2.94Å; M37-G40 WeakPolarHBondContact O-CA 3.47Å; M37-G40 PolarHBondContact O-N 2.72Å; E38-G40 VanDerWaalsContact C-N 3.33Å
41F96.3Very high96.5Very high3 Ų357 Ų571%0.01328%0.275CS..  trans-91.9135.9171.5-77.7-107.7000109.3V16 E18 K25 C27 I36 M37 R39V16-F41 HydrophobicContact CG2-CD1 4.42Å; V16-F41 HydrophobicContact CG2-CE1 4.04Å; V16-F41 HydrophobicContact CG2-CZ 4.3Å; E18-F41 HydrophobicContact CG-CD1 3.33Å; E18-F41 HydrophobicContact CG-CE1 3.64Å; E18-F41 HydrophobicContact CG-CG 4.2Å; E18-F41 WeakPolarHBondContact OE1-CA 3.4Å; K25-F41 HydrophobicContact CD-CE2 4.21Å; K25-F41 HydrophobicContact CD-CZ 4.2Å; K25-F41 HydrophobicContact CG-CE1 4.28Å; K25-F41 HydrophobicContact CG-CE2 4.3Å; K25-F41 HydrophobicContact CG-CZ 3.86Å; C27-F41 HydrophobicContact CB-CE2 3.36Å; C27-F41 HydrophobicContact CB-CZ 3.44Å; C27-F41 VanDerWaalsContact CB-CZ 3.44Å; I36-F41 HydrophobicContact CB-CB 3.99Å; I36-F41 HydrophobicContact CD1-CB 3.98Å; I36-F41 HydrophobicContact CG1-CB 4.18Å; I36-F41 PolarHBondContact O-N 3.25Å; I36-F41 VanDerWaalsContact O-N 3.1Å; M37-F41 WeakPolarHBondContact CA-O 3.44Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 HydrophobicContact CB-CD2 3.96Å; R39-F41 HydrophobicContact CB-CE2 4.4Å; R39-F41 WeakPolarHBondContact O-CD2 3.38Å; R39-F41 PolarHBondContact O-N 3.47Å
42Q92.7Very high96.4Very high165 Ų16552.7 Ų52.777%0.77125%0.254SS*.SBendtrans-92-26.1170.8-65.5-175.1-10.600112.5E18E18-Q42 PolarHBondContact OE1-N 2.77Å; E18-Q42 VanDerWaalsContact OE1-N 3.13Å
43K95.1Very high96.4Very high94 Ų9448.9 Ų48.941%0.40924%0.237SC..  trans-157.1157.3-176.262.4-167-176.8179.20110.2E18 R45E18-K43 VanDerWaalsContact O-CE 3.3Å; E18-K43 WeakPolarHBondContact O-CE 3.49Å; K43-R45 HydrophobicContact CD-CG 4.18Å; K43-R45 HydrophobicContact CG-CG 4.18Å
44I97.3Very high96.4Very high1 Ų148.8 Ų48.81%0.00524%0.236CC..  trans-113.4129.3166.7-66.9171.3000107.2V16 I36 I47 F94V16-I44 HydrophobicContact CB-CD1 3.96Å; V16-I44 HydrophobicContact CB-CG1 4.07Å; V16-I44 HydrophobicContact CB-CG2 4.06Å; V16-I44 HydrophobicContact CG1-CD1 3.95Å; V16-I44 HydrophobicContact CG1-CG2 4.43Å; V16-I44 HydrophobicContact CG2-CD1 4.09Å; V16-I44 HydrophobicContact CG2-CG1 4.2Å; I36-I44 HydrophobicContact CD1-CD1 4.29Å; I36-I44 HydrophobicContact CD1-CG1 4.02Å; I36-I44 HydrophobicContact CG2-CD1 3.74Å; I44-I47 HydrophobicContact CG2-CD1 3.89Å; I44-I47 HydrophobicContact CG2-CG1 3.53Å; I44-F94 HydrophobicContact CD1-CD1 4.24Å; I44-F94 HydrophobicContact CD1-CE1 3.87Å
45R96.9Very high96.4Very high55 Ų5544.4 Ų44.421%0.20822%0.216CC..  trans-122.1-20.2-177.8-71.3-76.8172.6177.8-11.9113W17 E18 E19 E20 K43 R76 W80 E89W17-R45 PolarHBondContact O-N 3.32Å; E18-R45 WeakPolarHBondContact O-CB 3.3Å; E18-R45 WeakPolarHBondContact O-CG 3.36Å; E19-R45 WeakPolarHBondContact O-CB 3.27Å; E20-R45 HydrophobicContact CG-CB 4.06Å; K43-R45 HydrophobicContact CD-CG 4.18Å; K43-R45 HydrophobicContact CG-CG 4.18Å; R45-R76 WeakPolarHBondContact O-CA 3.31Å; R45-W80 WeakPolarHBondContact O-CH2 3.28Å; R45-E89 IonicContact CZ-OE2 2.85Å; R45-E89 IonicContact NH1-OE2 3.09Å; R45-E89 PolarHBondContact NH1-OE2 3.03Å; R45-E89 IonicContact NH2-OE2 3.74Å; R45-E89 PolarHBondContact NH2-OE2 2.98Å
46S98.2Very high96.4Very high0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans-149153.8167.658.40000111.6W17 E19 F22 Y74 P75W17-S46 WeakPolarHBondContact CB-OG 3.36Å; W17-S46 PolarHBondContact N-O 3.3Å; W17-S46 PolarHBondContact O-N 3.44Å; E19-S46 PolarHBondContact O-N 2.66Å; E19-S46 PolarHBondContact O-OG 3.32Å; F22-S46 VanDerWaalsContact CA-OG 3.27Å; F22-S46 WeakPolarHBondContact CA-OG 3.17Å; F22-S46 PolarHBondContact N-OG 3.34Å; S46-Y74 CarbonylContact C-O 3.6Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.37Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.27Å; S46-P75 WeakPolarHBondContact CB-O 3.42Å
47I98.5Very high96.4Very high0 Ų043.3 Ų43.30%021%0.209CC..EExtended strand (participates in β ladder)trans-138.5140.9-171.5-58.2172.8000109.1I14 T15 V16 F22 I44 V49 L69 Y74 W80 M91I14-I47 HydrophobicContact CD1-CG2 3.6Å; I14-I47 HydrophobicContact CG1-CG2 3.59Å; T15-I47 CarbonylContact O-C 3.57Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; V16-I47 HydrophobicContact CG1-CG1 4.3Å; F22-I47 WeakPolarHBondContact CE1-O 3.37Å; I44-I47 HydrophobicContact CG2-CD1 3.89Å; I44-I47 HydrophobicContact CG2-CG1 3.53Å; I47-V49 HydrophobicContact CG2-CG2 4.05Å; I47-L69 HydrophobicContact CD1-CD1 4.06Å; I47-L69 HydrophobicContact CD1-CD2 4.12Å; I47-Y74 HydrophobicContact CB-CD2 4.37Å; I47-Y74 HydrophobicContact CG2-CD2 4.39Å; I47-Y74 PolarHBondContact N-O 2.88Å; I47-Y74 WeakPolarHBondContact O-CA 3.44Å; I47-Y74 WeakPolarHBondContact O-CB 3.41Å; I47-Y74 PolarHBondContact O-N 2.63Å; I47-W80 HydrophobicContact CD1-CD2 4.23Å; I47-W80 HydrophobicContact CD1-CE3 4.07Å; I47-W80 HydrophobicContact CD1-CH2 4.43Å; I47-W80 HydrophobicContact CD1-CZ3 4.18Å; I47-W80 HydrophobicContact CG1-CE3 4.46Å; I47-W80 HydrophobicContact CG1-CZ3 4.19Å; I47-M91 HydrophobicContact CD1-CE 3.74Å; I47-M91 HydrophobicContact CD1-SD 3.59Å; I47-M91 VanDerWaalsContact CD1-SD 3.59Å
48K98.6Very high96.3Very high53 Ų5338.3 Ų38.323%0.2319%0.185CC..EExtended strand (participates in β ladder)trans-120.1131162.4-66.1-166.2177.1-135.50108.4I14 T15 W17 F22 D73I14-K48 CarbonylContact C-O 3.56Å; I14-K48 WeakPolarHBondContact CA-O 3.23Å; T15-K48 PolarHBondContact N-O 2.75Å; T15-K48 PolarHBondContact O-N 2.81Å; W17-K48 HydrophobicContact CH2-CB 3.99Å; W17-K48 HydrophobicContact CH2-CD 3.79Å; W17-K48 HydrophobicContact CH2-CG 3.73Å; W17-K48 HydrophobicContact CZ3-CB 3.76Å; W17-K48 HydrophobicContact CZ3-CD 4.18Å; W17-K48 HydrophobicContact CZ3-CG 3.58Å; F22-K48 HydrophobicContact CD1-CD 4.2Å; F22-K48 HydrophobicContact CD1-CG 3.7Å; F22-K48 HydrophobicContact CE1-CD 4.29Å; F22-K48 HydrophobicContact CE1-CG 3.56Å; F22-K48 VanDerWaalsContact CG-CE 3.46Å; F22-K48 HydrophobicContact CG-CG 4.47Å; F22-K48 HydrophobicContact CZ-CG 4.23Å; K48-D73 VanDerWaalsContact CD-OD1 3.3Å; K48-D73 WeakPolarHBondContact CD-OD1 3.23Å; K48-D73 WeakPolarHBondContact CE-OD1 3.21Å; K48-D73 WeakPolarHBondContact CG-OD1 3.2Å; K48-D73 IonicContact NZ-OD1 2.76Å; K48-D73 PolarHBondContact NZ-OD1 3.12Å; K48-D73 IonicContact NZ-OD2 2.69Å; K48-D73 PolarHBondContact NZ-OD2 2.88Å
49V98.2Very high96.4Very high4 Ų436.5 Ų36.52%0.02417%0.173CC..EExtended strand (participates in β ladder)trans-108.8101172.3-179.40000106.8I14 I47 L69 E70 K71 G72 Y74I14-V49 HydrophobicContact CD1-CG2 4.16Å; I14-V49 HydrophobicContact CG1-CG2 4.09Å; I47-V49 HydrophobicContact CG2-CG2 4.05Å; V49-L69 HydrophobicContact CG2-CB 4Å; V49-E70 VanDerWaalsContact CB-O 3.27Å; V49-E70 WeakPolarHBondContact CB-O 3.26Å; V49-K71 WeakPolarHBondContact O-CA 3.3Å; V49-K71 WeakPolarHBondContact O-CG 3.31Å; V49-G72 PolarHBondContact N-O 3.04Å; V49-G72 PolarHBondContact O-N 2.86Å; V49-Y74 HydrophobicContact CG2-CD2 4.43Å; V49-Y74 HydrophobicContact CG2-CE2 3.95Å
50E96.5Very high96.6Very high58 Ų5832.7 Ų32.727%0.27116%0.163SC..EExtended strand (participates in β ladder)trans-75.9-43.6177.4-62.991152.600110.9K13 T15 K71K13-E50 HydrophobicContact CB-CB 4.2Å; K13-E50 HydrophobicContact CD-CB 3.98Å; K13-E50 HydrophobicContact CD-CG 4.22Å; K13-E50 HydrophobicContact CG-CB 4.1Å; K13-E50 HydrophobicContact CG-CG 4.46Å; K13-E50 PolarHBondContact O-N 3.01Å; K13-E50 VanDerWaalsContact O-N 3.09Å; T15-E50 PolarHBondContact OG1-OE1 2.9Å; E50-K71 VanDerWaalsContact O-CE 3.31Å; E50-K71 WeakPolarHBondContact O-CE 3.14Å
51N94.9Very high96.7Very high67 Ų6736.9 Ų36.936%0.35817%0.171SC..EExtended strand (participates in β ladder)trans-134.2119.9175-68.6-16.2000109.6G10 Q11 F12 K13 W54G10-N51 PolarHBondContact O-ND2 2.79Å; Q11-N51 VanDerWaalsContact O-CB 3.31Å; Q11-N51 WeakPolarHBondContact O-CB 3.42Å; F12-N51 WeakPolarHBondContact CA-O 3.31Å; K13-N51 HydrophobicContact CB-CB 4.22Å; K13-N51 PolarHBondContact N-O 3.3Å; K13-N51 PolarHBondContact O-N 3.3Å; K13-N51 VanDerWaalsContact O-N 3.16Å; K13-N51 VanDerWaalsContact O-O 3.05Å; N51-W54 PolarHBondContact O-NE1 3.48Å
52G93.1Very high96.8Very high6 Ų638.2 Ų38.26%0.06218%0.177CC..  trans-122-164.4-172.900000113.4F12F12-G52 WeakPolarHBondContact CE1-O 3.4Å
53P97Very high97Very high2 Ų233.8 Ų33.81%0.01316%0.157CC..  cis-88.2158.3-426.1-14.8000112.2I68 E70 I97 A100 I194 Q195P53-I68 HydrophobicContact CB-CD1 4.46Å; P53-E70 HydrophobicContact CB-CG 4.29Å; P53-I97 HydrophobicContact CB-CD1 4.38Å; P53-I97 HydrophobicContact CG-CB 4.08Å; P53-I97 PolarHBondContact O-N 2.91Å; P53-A100 HydrophobicContact CG-CB 3.34Å; P53-I194 HydrophobicContact CB-CG2 3.56Å; P53-I194 HydrophobicContact CG-CG2 3.4Å; P53-I194 VanDerWaalsContact CG-CG2 3.4Å; P53-Q195 WeakPolarHBondContact CB-O 3.5Å; P53-Q195 VanDerWaalsContact CG-O 3.28Å; P53-Q195 WeakPolarHBondContact CG-O 3.46Å
54W98.3Very high96.9Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-121.8157.7175-63.375.8000110.4F12 I14 F29 L31 N51 L69 F94 R95 P96F12-W54 HydrophobicContact CB-CH2 4.29Å; F12-W54 HydrophobicContact CB-CZ2 3.49Å; F12-W54 VanDerWaalsContact CB-CZ2 3.49Å; I14-W54 HydrophobicContact CB-CD2 3.99Å; I14-W54 HydrophobicContact CB-CG 4.33Å; I14-W54 HydrophobicContact CB-CZ2 3.96Å; I14-W54 HydrophobicContact CD1-CB 4.36Å; I14-W54 HydrophobicContact CD1-CD2 4.36Å; I14-W54 HydrophobicContact CD1-CG 4.21Å; I14-W54 HydrophobicContact CG2-CD2 3.75Å; I14-W54 HydrophobicContact CG2-CE3 3.79Å; I14-W54 HydrophobicContact CG2-CH2 3.55Å; I14-W54 HydrophobicContact CG2-CZ2 3.48Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.48Å; I14-W54 HydrophobicContact CG2-CZ3 3.7Å; F29-W54 HydrophobicContact CB-CH2 4.39Å; L31-W54 WeakPolarHBondContact O-CH2 3.47Å; L31-W54 WeakPolarHBondContact O-CZ3 3.45Å; N51-W54 PolarHBondContact O-NE1 3.48Å; W54-L69 HydrophobicContact CB-CB 3.99Å; W54-L69 HydrophobicContact CB-CD1 4.45Å; W54-L69 PolarHBondContact N-O 3.49Å; W54-L69 WeakPolarHBondContact O-CB 3.46Å; W54-L69 PolarHBondContact O-N 2.68Å; W54-F94 AromaticContact CE3-CD2 3.82Å; W54-F94 HydrophobicContact CE3-CD2 3.82Å; W54-F94 AromaticContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CE2 4.18Å; W54-R95 WeakPolarHBondContact CA-O 3.38Å; W54-P96 HydrophobicContact CD2-CB 4.45Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CZ3-CB 4.5Å; W54-P96 HydrophobicContact CZ3-CG 4.49Å
55V98Very high96.8Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-118.3127.4165.450.90000109.1F57 Q66 F67 F94 R95 I97 I163V55-F57 HydrophobicContact CB-CE2 4.23Å; V55-F57 HydrophobicContact CB-CZ 4.23Å; V55-F57 HydrophobicContact CG1-CE2 3.67Å; V55-F57 HydrophobicContact CG1-CZ 3.66Å; V55-F57 HydrophobicContact CG2-CD2 4.42Å; V55-F57 HydrophobicContact CG2-CE1 4.04Å; V55-F57 HydrophobicContact CG2-CE2 3.79Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; V55-Q66 HydrophobicContact CG2-CB 4.13Å; V55-F67 WeakPolarHBondContact CA-O 3.08Å; V55-F94 CarbonylContact O-C 3.53Å; V55-F94 WeakPolarHBondContact O-CA 3.14Å; V55-F94 VanDerWaalsContact O-CB 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.35Å; V55-R95 HydrophobicContact CG1-CG 3.62Å; V55-R95 PolarHBondContact N-O 2.75Å; V55-R95 PolarHBondContact O-N 3.23Å; V55-I97 HydrophobicContact CB-CD1 4.05Å; V55-I97 HydrophobicContact CB-CG1 4.19Å; V55-I97 HydrophobicContact CG1-CD1 4.31Å; V55-I97 HydrophobicContact CG1-CG1 3.92Å; V55-I163 HydrophobicContact CB-CG1 4.13Å; V55-I163 HydrophobicContact CG2-CB 4.45Å; V55-I163 HydrophobicContact CG2-CG1 3.64Å
56G97.7Very high96.7Very high0 Ų027.1 Ų27.10%013%0.129CC..EExtended strand (participates in β ladder)trans-95.9151.9169.800000111.5Q66 F67G56-Q66 CarbonylContact O-C 3.56Å; G56-Q66 WeakPolarHBondContact O-CA 3.25Å; G56-F67 PolarHBondContact N-O 3.46Å; G56-F67 PolarHBondContact O-N 3.41Å
57F97Very high96.6Very high7 Ų727.3 Ų27.33%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-130.9144.5-179.5-56.8-96.7000110.8V55 Y59 F62 Q63 Q65 Q66 M91 L92 S93 R95V55-F57 HydrophobicContact CB-CE2 4.23Å; V55-F57 HydrophobicContact CB-CZ 4.23Å; V55-F57 HydrophobicContact CG1-CE2 3.67Å; V55-F57 HydrophobicContact CG1-CZ 3.66Å; V55-F57 HydrophobicContact CG2-CD2 4.42Å; V55-F57 HydrophobicContact CG2-CE1 4.04Å; V55-F57 HydrophobicContact CG2-CE2 3.79Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 3.47Å; F57-F62 VanDerWaalsContact CD1-C 3.42Å; F57-F62 HydrophobicContact CD1-CB 4.18Å; F57-F62 VanDerWaalsContact CD1-O 3.29Å; F57-F62 WeakPolarHBondContact CD1-O 3.3Å; F57-F62 HydrophobicContact CD2-CB 3.89Å; F57-F62 AromaticContact CD2-CD1 3.83Å; F57-F62 HydrophobicContact CD2-CD1 3.83Å; F57-F62 HydrophobicContact CD2-CG 4.34Å; F57-F62 HydrophobicContact CE1-CB 4.06Å; F57-F62 WeakPolarHBondContact CE1-O 3.04Å; F57-F62 HydrophobicContact CE2-CB 3.77Å; F57-F62 AromaticContact CE2-CD1 3.79Å; F57-F62 HydrophobicContact CE2-CD1 3.79Å; F57-F62 HydrophobicContact CE2-CG 4.14Å; F57-F62 HydrophobicContact CG-CB 4.11Å; F57-F62 HydrophobicContact CZ-CB 3.88Å; F57-Q63 WeakPolarHBondContact CB-O 3.48Å; F57-Q65 WeakPolarHBondContact CA-O 3.37Å; F57-Q66 HydrophobicContact CD1-CG 3.84Å; F57-Q66 HydrophobicContact CE1-CG 3.71Å; F57-M91 CarbonylContact O-C 3.59Å; F57-M91 VanDerWaalsContact O-CA 3.27Å; F57-M91 WeakPolarHBondContact O-CA 3.1Å; F57-L92 PolarHBondContact O-N 3.2Å; F57-S93 WeakPolarHBondContact CB-OG 3.5Å; F57-S93 PolarHBondContact N-O 3.16Å; F57-S93 PolarHBondContact O-N 3.22Å; F57-R95 HydrophobicContact CE2-CG 4.07Å
58E95.1Very high96.5Very high6 Ų627.7 Ų27.73%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-58.5-41.7179.2178.9167.8-151.600113.4Q65 Y86 T88 H90 L92E58-Q65 HydrophobicContact CB-CB 4.22Å; E58-Q65 PolarHBondContact N-O 2.84Å; E58-Q65 PolarHBondContact OE2-N 3.17Å; E58-Y86 PolarHBondContact OE1-OH 2.81Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.47Å; E58-Y86 PolarHBondContact OE2-OH 2.97Å; E58-T88 HydrophobicContact CG-CG2 4.35Å; E58-T88 WeakPolarHBondContact OE1-CB 3.37Å; E58-T88 PolarHBondContact OE1-OG1 2.79Å; E58-H90 WeakPolarHBondContact CA-O 3.22Å; E58-H90 HydrophobicContact CG-CB 4.16Å; E58-L92 WeakPolarHBondContact O-CB 3.15Å; E58-L92 WeakPolarHBondContact O-CD1 3.43Å; E58-L92 VanDerWaalsContact O-CG 3.23Å; E58-L92 WeakPolarHBondContact O-CG 3.48Å
59Y96.6Very high96.4Very high89 Ų8925.2 Ų25.235%0.34912%0.121SC..EExtended strand (participates in β ladder)trans-112.3165.3-176.3-62.5-55000112.2F57 Q63 S93F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 3.47Å; Y59-Q63 WeakPolarHBondContact CB-O 3.24Å; Y59-Q63 PolarHBondContact N-O 3.18Å; Y59-S93 PolarHBondContact O-OG 3.46Å
60P97.6Very high96.4Very high34 Ų3426.2 Ų26.222%0.22113%0.126CC..THydrogen-bonded Turntrans-56.1166.1168.9-2536.7000112.3Q34 N35 M37 F62 Q63 L92Q34-P60 CarbonylContact O-C 3.54Å; Q34-P60 VanDerWaalsContact O-CA 3.27Å; Q34-P60 WeakPolarHBondContact O-CA 3.33Å; N35-P60 HydrophobicContact CB-CB 4.2Å; M37-P60 HydrophobicContact CE-CG 4.48Å; P60-F62 PolarHBondContact O-N 2.63Å; P60-F62 VanDerWaalsContact O-N 3.17Å; P60-Q63 WeakPolarHBondContact O-CB 3.49Å; P60-Q63 VanDerWaalsContact O-CG 3.31Å; P60-Q63 WeakPolarHBondContact O-CG 3.47Å; P60-Q63 PolarHBondContact O-N 3.07Å; P60-L92 HydrophobicContact CG-CB 4.16Å; P60-L92 HydrophobicContact CG-CD1 4.37Å
61E97.5Very high96.4Very high130 Ų13030.6 Ų30.661%0.60714%0.144SC*.THydrogen-bonded Turntrans57.931.4174-54.9-179.916000113.6Q34 Q63Q34-E61 PolarHBondContact O-N 2.82Å; E61-Q63 HydrophobicContact CB-CG 4.33Å; E61-Q63 PolarHBondContact O-N 3.1Å; E61-Q63 PolarHBondContact O-NE2 3.36Å
62F97.5Very high96.5Very high31 Ų3128.6 Ų28.614%0.13614%0.14CC..THydrogen-bonded Turntrans61.540.3177.1-40.7-55.7000113.6E32 Q34 F57 P60 S93 R95E32-F62 HydrophobicContact CB-CE1 4.27Å; E32-F62 HydrophobicContact CB-CZ 3.91Å; E32-F62 HydrophobicContact CG-CZ 4.15Å; Q34-F62 HydrophobicContact CB-CZ 4.38Å; Q34-F62 HydrophobicContact CG-CE1 4.16Å; Q34-F62 HydrophobicContact CG-CE2 3.67Å; Q34-F62 HydrophobicContact CG-CZ 3.39Å; F57-F62 VanDerWaalsContact CD1-C 3.42Å; F57-F62 HydrophobicContact CD1-CB 4.18Å; F57-F62 VanDerWaalsContact CD1-O 3.29Å; F57-F62 WeakPolarHBondContact CD1-O 3.3Å; F57-F62 HydrophobicContact CD2-CB 3.89Å; F57-F62 AromaticContact CD2-CD1 3.83Å; F57-F62 HydrophobicContact CD2-CD1 3.83Å; F57-F62 HydrophobicContact CD2-CG 4.34Å; F57-F62 HydrophobicContact CE1-CB 4.06Å; F57-F62 WeakPolarHBondContact CE1-O 3.04Å; F57-F62 HydrophobicContact CE2-CB 3.77Å; F57-F62 AromaticContact CE2-CD1 3.79Å; F57-F62 HydrophobicContact CE2-CD1 3.79Å; F57-F62 HydrophobicContact CE2-CG 4.14Å; F57-F62 HydrophobicContact CG-CB 4.11Å; F57-F62 HydrophobicContact CZ-CB 3.88Å; P60-F62 PolarHBondContact O-N 2.63Å; P60-F62 VanDerWaalsContact O-N 3.17Å; F62-S93 VanDerWaalsContact CA-OG 3.32Å; F62-S93 WeakPolarHBondContact CA-OG 3.48Å; F62-S93 PolarHBondContact N-OG 3.28Å; F62-R95 HydrophobicContact CD1-CB 4.47Å; F62-R95 HydrophobicContact CD1-CG 4.5Å; F62-R95 HydrophobicContact CE1-CB 3.97Å; F62-R95 HydrophobicContact CE1-CG 4.46Å; F62-R95 HydrophobicContact CZ-CB 4.31Å
63Q96.4Very high96.8Very high72 Ų7233 Ų3334%0.33616%0.161SC..EExtended strand (participates in β ladder)trans-108.6155.6-175.6-56.6-60.5-5200112.9F57 Y59 P60 E61 T181F57-Q63 WeakPolarHBondContact CB-O 3.48Å; Y59-Q63 WeakPolarHBondContact CB-O 3.24Å; Y59-Q63 PolarHBondContact N-O 3.18Å; P60-Q63 WeakPolarHBondContact O-CB 3.49Å; P60-Q63 VanDerWaalsContact O-CG 3.31Å; P60-Q63 WeakPolarHBondContact O-CG 3.47Å; P60-Q63 PolarHBondContact O-N 3.07Å; E61-Q63 HydrophobicContact CB-CG 4.33Å; E61-Q63 PolarHBondContact O-N 3.1Å; E61-Q63 PolarHBondContact O-NE2 3.36Å; Q63-T181 WeakPolarHBondContact CA-OG1 3.43Å; Q63-T181 PolarHBondContact OE1-OG1 3.13Å
64G94.3Very high96.8Very high0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans89.9-151.8171.400000114.3S180 T181G64-S180 PolarHBondContact O-OG 3.18Å; G64-S180 VanDerWaalsContact O-OG 3.06Å; G64-T181 PolarHBondContact N-OG1 3.08Å
65Q94.1Very high96.8Very high2 Ų236 Ų361%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-65.3138.9178-176.850.839.600111.4F57 E58 F67 Y86 Q161F57-Q65 WeakPolarHBondContact CA-O 3.37Å; E58-Q65 HydrophobicContact CB-CB 4.22Å; E58-Q65 PolarHBondContact N-O 2.84Å; E58-Q65 PolarHBondContact OE2-N 3.17Å; Q65-F67 HydrophobicContact CB-CE2 4.45Å; Q65-F67 HydrophobicContact CB-CZ 3.98Å; Q65-F67 HydrophobicContact CG-CE1 3.75Å; Q65-F67 HydrophobicContact CG-CE2 4.35Å; Q65-F67 HydrophobicContact CG-CZ 3.61Å; Q65-Y86 HydrophobicContact CB-CD1 4.27Å; Q65-Y86 HydrophobicContact CB-CE1 4.02Å; Q65-Y86 HydrophobicContact CG-CD1 4.25Å; Q65-Q161 PolarHBondContact NE2-O 3.41Å
66Q95.4Very high96.6Very high9 Ų941.5 Ų41.54%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-100.6149.6179.6-57177.149.400111.5V55 G56 F57 I163 Y179 S180V55-Q66 HydrophobicContact CG2-CB 4.13Å; G56-Q66 CarbonylContact O-C 3.56Å; G56-Q66 WeakPolarHBondContact O-CA 3.25Å; F57-Q66 HydrophobicContact CD1-CG 3.84Å; F57-Q66 HydrophobicContact CE1-CG 3.71Å; Q66-I163 HydrophobicContact CB-CG1 4.22Å; Q66-I163 VanDerWaalsContact OE1-CG1 3.32Å; Q66-I163 VanDerWaalsContact OE1-N 3.08Å; Q66-Y179 PolarHBondContact NE2-O 2.87Å; Q66-S180 PolarHBondContact NE2-OG 2.92Å
67F95.8Very high96.3Very high3 Ų342.9 Ų42.91%0.01320%0.204CC..EExtended strand (participates in β ladder)trans-135.5122.5177.9-50.7-74.9000110.1V55 G56 Q65 W80 T88 M91V55-F67 WeakPolarHBondContact CA-O 3.08Å; G56-F67 PolarHBondContact N-O 3.46Å; G56-F67 PolarHBondContact O-N 3.41Å; Q65-F67 HydrophobicContact CB-CE2 4.45Å; Q65-F67 HydrophobicContact CB-CZ 3.98Å; Q65-F67 HydrophobicContact CG-CE1 3.75Å; Q65-F67 HydrophobicContact CG-CE2 4.35Å; Q65-F67 HydrophobicContact CG-CZ 3.61Å; F67-W80 AromaticContact CD1-CD1 3.93Å; F67-W80 AromaticContact CG-CD1 3.82Å; F67-T88 HydrophobicContact CE1-CG2 4.37Å; F67-T88 HydrophobicContact CE2-CG2 4.44Å; F67-T88 HydrophobicContact CZ-CG2 3.56Å; F67-M91 HydrophobicContact CB-CE 4.11Å; F67-M91 HydrophobicContact CD2-CE 3.92Å; F67-M91 HydrophobicContact CG-CE 4.23Å
68I96.7Very high96Very high9 Ų946.5 Ų46.55%0.04622%0.221CC..EExtended strand (participates in β ladder)trans-74.3130173.1-169.653.9000110.5P53 E70 I97 I163 I194P53-I68 HydrophobicContact CB-CD1 4.46Å; I68-E70 HydrophobicContact CD1-CG 4.48Å; I68-E70 HydrophobicContact CG1-CG 4.07Å; I68-I97 HydrophobicContact CD1-CD1 3.55Å; I68-I163 HydrophobicContact CB-CD1 3.92Å; I68-I163 HydrophobicContact CD1-CD1 4.11Å; I68-I163 HydrophobicContact CG1-CD1 4.42Å; I68-I194 HydrophobicContact CD1-CD1 3.69Å; I68-I194 HydrophobicContact CD1-CG1 3.95Å; I68-I194 HydrophobicContact CD1-CG2 3.84Å; I68-I194 HydrophobicContact CG1-CD1 4.46Å; I68-I194 HydrophobicContact CG1-CG1 4.33Å
69L97.6Very high95.8Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-125.786.6-179.2-62.2173.7000108.9I14 I47 V49 W54 Y74 W80 M91I14-L69 HydrophobicContact CD1-CD1 3.93Å; I47-L69 HydrophobicContact CD1-CD1 4.06Å; I47-L69 HydrophobicContact CD1-CD2 4.12Å; V49-L69 HydrophobicContact CG2-CB 4Å; W54-L69 HydrophobicContact CB-CB 3.99Å; W54-L69 HydrophobicContact CB-CD1 4.45Å; W54-L69 PolarHBondContact N-O 3.49Å; W54-L69 WeakPolarHBondContact O-CB 3.46Å; W54-L69 PolarHBondContact O-N 2.68Å; L69-Y74 HydrophobicContact CD2-CD1 4.43Å; L69-Y74 HydrophobicContact CD2-CE1 4.21Å; L69-Y74 HydrophobicContact CD2-CE2 4.36Å; L69-W80 HydrophobicContact CD2-CB 3.54Å; L69-W80 HydrophobicContact CD2-CG 4.24Å; L69-M91 HydrophobicContact CD1-CE 4Å; L69-M91 HydrophobicContact CD1-SD 3.98Å; L69-M91 HydrophobicContact CD2-CE 4.29Å
70E96.8Very high95.6Very high25 Ų2544.4 Ų44.412%0.11722%0.222CC..  trans-82.2172.7173.9-73.4164.4147.700110.4V49 P53 I68 G72 Y74 R192 I194 Q195V49-E70 VanDerWaalsContact CB-O 3.27Å; V49-E70 WeakPolarHBondContact CB-O 3.26Å; P53-E70 HydrophobicContact CB-CG 4.29Å; I68-E70 HydrophobicContact CD1-CG 4.48Å; I68-E70 HydrophobicContact CG1-CG 4.07Å; E70-G72 PolarHBondContact O-N 3.17Å; E70-Y74 PolarHBondContact N-OH 2.98Å; E70-Y74 WeakPolarHBondContact O-CE2 3.48Å; E70-Y74 PolarHBondContact O-OH 3.13Å; E70-Y74 VanDerWaalsContact O-OH 3.04Å; E70-R192 IonicContact OE1-CZ 3.58Å; E70-R192 IonicContact OE1-NH1 3.79Å; E70-R192 PolarHBondContact OE1-NH1 3.37Å; E70-R192 IonicContact OE1-NH2 2.72Å; E70-R192 IonicContact OE2-CZ 3.58Å; E70-R192 IonicContact OE2-NH1 2.88Å; E70-R192 PolarHBondContact OE2-NH1 3.45Å; E70-R192 IonicContact OE2-NH2 3.19Å; E70-R192 PolarHBondContact OE2-NH2 2.87Å; E70-I194 HydrophobicContact CG-CG2 4.43Å; E70-Q195 HydrophobicContact CG-CB 4.45Å; E70-Q195 PolarHBondContact OE1-N 2.92Å
71K96.9Very high95Very high150 Ų15043.2 Ų43.265%0.65221%0.214SC*.SBendtrans-55.6124.7179.4-178.2174.3-176.6164.10111.2V49 E50V49-K71 WeakPolarHBondContact O-CA 3.3Å; V49-K71 WeakPolarHBondContact O-CG 3.31Å; E50-K71 VanDerWaalsContact O-CE 3.31Å; E50-K71 WeakPolarHBondContact O-CE 3.14Å
72G97.4Very high93.9Very high26 Ų2639.1 Ų39.127%0.26821%0.207SC..EExtended strand (participates in β ladder)trans157.9179.5-179.100000115V49 E70V49-G72 PolarHBondContact N-O 3.04Å; V49-G72 PolarHBondContact O-N 2.86Å; E70-G72 PolarHBondContact O-N 3.17Å
73D98.3Very high92.5Very high97 Ų9743.1 Ų43.152%0.51923%0.23SC..EExtended strand (participates in β ladder)trans-104.9122.2-179.5-83.26.7000109.7F22 K48 P75F22-D73 HydrophobicContact CE2-CB 4.5Å; F22-D73 HydrophobicContact CZ-CB 3.82Å; K48-D73 VanDerWaalsContact CD-OD1 3.3Å; K48-D73 WeakPolarHBondContact CD-OD1 3.23Å; K48-D73 WeakPolarHBondContact CE-OD1 3.21Å; K48-D73 WeakPolarHBondContact CG-OD1 3.2Å; K48-D73 IonicContact NZ-OD1 2.76Å; K48-D73 PolarHBondContact NZ-OD1 3.12Å; K48-D73 IonicContact NZ-OD2 2.69Å; K48-D73 PolarHBondContact NZ-OD2 2.88Å; D73-P75 WeakPolarHBondContact O-CD 3.36Å
74Y97.6Very high91.1Very high27 Ų2740.4 Ų40.411%0.10622%0.219CC..EExtended strand (participates in β ladder)trans-117.289-179.5-60-95.8000110S46 I47 V49 L69 E70 R76 A79 W80S46-Y74 CarbonylContact C-O 3.6Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.37Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.27Å; I47-Y74 HydrophobicContact CB-CD2 4.37Å; I47-Y74 HydrophobicContact CG2-CD2 4.39Å; I47-Y74 PolarHBondContact N-O 2.88Å; I47-Y74 WeakPolarHBondContact O-CA 3.44Å; I47-Y74 WeakPolarHBondContact O-CB 3.41Å; I47-Y74 PolarHBondContact O-N 2.63Å; V49-Y74 HydrophobicContact CG2-CD2 4.43Å; V49-Y74 HydrophobicContact CG2-CE2 3.95Å; L69-Y74 HydrophobicContact CD2-CD1 4.43Å; L69-Y74 HydrophobicContact CD2-CE1 4.21Å; L69-Y74 HydrophobicContact CD2-CE2 4.36Å; E70-Y74 PolarHBondContact N-OH 2.98Å; E70-Y74 WeakPolarHBondContact O-CE2 3.48Å; E70-Y74 PolarHBondContact O-OH 3.13Å; E70-Y74 VanDerWaalsContact O-OH 3.04Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 2.89Å; Y74-A79 HydrophobicContact CD1-CB 3.84Å; Y74-A79 WeakPolarHBondContact CD1-O 3.36Å; Y74-A79 HydrophobicContact CG-CB 4.41Å; Y74-W80 HydrophobicContact CD1-CB 3.91Å; Y74-W80 HydrophobicContact CE1-CB 4.19Å
75P97.5Very high89.5Confident38 Ų3844.4 Ų44.425%0.24725%0.247CC..  trans-74.8-13.7-169.528.4-35.8000114.6E20 N21 F22 S46 D73E20-P75 CarbonylContact C-O 3.49Å; E20-P75 WeakPolarHBondContact CA-O 3.31Å; E20-P75 WeakPolarHBondContact CB-O 3.48Å; N21-P75 PolarHBondContact N-O 3.21Å; F22-P75 HydrophobicContact CE2-CB 4.22Å; F22-P75 HydrophobicContact CZ-CB 3.96Å; S46-P75 WeakPolarHBondContact CB-O 3.42Å; D73-P75 WeakPolarHBondContact O-CD 3.36Å
76R95Very high88.4Confident117 Ų11747.1 Ų47.144%0.44226%0.257SS..SBendtrans-159.7166.2-17763.9-177.281.1-179.64.4110.6E20 R45 Y74 E78 A79 W80E20-R76 HydrophobicContact CG-CB 4.29Å; R45-R76 WeakPolarHBondContact O-CA 3.31Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 2.89Å; R76-E78 VanDerWaalsContact C-N 3.28Å; R76-E78 WeakPolarHBondContact CB-OE2 3.48Å; R76-E78 WeakPolarHBondContact CD-OE2 3.43Å; R76-E78 HydrophobicContact CG-CB 4.4Å; R76-E78 WeakPolarHBondContact CG-OE2 3.39Å; R76-E78 PolarHBondContact O-N 3.09Å; R76-A79 VanDerWaalsContact O-CB 3.22Å; R76-A79 WeakPolarHBondContact O-CB 3.46Å; R76-A79 PolarHBondContact O-N 3.1Å; R76-W80 VanDerWaalsContact O-CE3 3.24Å; R76-W80 WeakPolarHBondContact O-CZ3 3.48Å
77Y90.5Very high87.3Confident29 Ų2957.1 Ų57.111%0.11430%0.295CS..THydrogen-bonded Turntrans-64.5-28-172.381.2-81.5000115A79 W80 S81 E89Y77-A79 PolarHBondContact O-N 2.97Å; Y77-W80 VanDerWaalsContact CA-CE2 3.46Å; Y77-W80 PolarHBondContact O-N 3.01Å; Y77-S81 WeakPolarHBondContact O-CB 3.45Å; Y77-S81 PolarHBondContact O-N 3.1Å; Y77-S81 PolarHBondContact O-OG 2.97Å; Y77-E89 HydrophobicContact CD1-CG 4.02Å; Y77-E89 HydrophobicContact CD2-CG 3.96Å; Y77-E89 HydrophobicContact CE1-CG 4.05Å; Y77-E89 HydrophobicContact CE2-CG 4.01Å; Y77-E89 HydrophobicContact CG-CB 4.41Å; Y77-E89 HydrophobicContact CG-CG 3.99Å
78E90.9Very high86.7Confident83 Ų8357.3 Ų57.339%0.38830%0.296SS..Hα-helixtrans-62.2-24.1174.5-62.189.5163.400112.4R76 W80 S81 G82R76-E78 VanDerWaalsContact C-N 3.28Å; R76-E78 WeakPolarHBondContact CB-OE2 3.48Å; R76-E78 WeakPolarHBondContact CD-OE2 3.43Å; R76-E78 HydrophobicContact CG-CB 4.4Å; R76-E78 WeakPolarHBondContact CG-OE2 3.39Å; R76-E78 PolarHBondContact O-N 3.09Å; E78-W80 VanDerWaalsContact C-N 3.34Å; E78-W80 PolarHBondContact O-N 3.04Å; E78-S81 WeakPolarHBondContact CA-OG 3.42Å; E78-G82 PolarHBondContact O-N 3.31Å
79A92.3Very high86.2Confident45 Ų4560.5 Ų60.537%0.37231%0.311SS..Hα-helixtrans-69.8-28.4-179.400000113.1Y74 R76 Y77Y74-A79 HydrophobicContact CD1-CB 3.84Å; Y74-A79 WeakPolarHBondContact CD1-O 3.36Å; Y74-A79 HydrophobicContact CG-CB 4.41Å; R76-A79 VanDerWaalsContact O-CB 3.22Å; R76-A79 WeakPolarHBondContact O-CB 3.46Å; R76-A79 PolarHBondContact O-N 3.1Å; Y77-A79 PolarHBondContact O-N 2.97Å
80W91.1Very high85.9Confident5 Ų565.4 Ų65.42%0.01933%0.334CS..Hα-helixtrans-108.1-31.9177.762.982000113.6R45 I47 F67 L69 Y74 R76 Y77 E78 G82 M91 Q161R45-W80 WeakPolarHBondContact O-CH2 3.28Å; I47-W80 HydrophobicContact CD1-CD2 4.23Å; I47-W80 HydrophobicContact CD1-CE3 4.07Å; I47-W80 HydrophobicContact CD1-CH2 4.43Å; I47-W80 HydrophobicContact CD1-CZ3 4.18Å; I47-W80 HydrophobicContact CG1-CE3 4.46Å; I47-W80 HydrophobicContact CG1-CZ3 4.19Å; F67-W80 AromaticContact CD1-CD1 3.93Å; F67-W80 AromaticContact CG-CD1 3.82Å; L69-W80 HydrophobicContact CD2-CB 3.54Å; L69-W80 HydrophobicContact CD2-CG 4.24Å; Y74-W80 HydrophobicContact CD1-CB 3.91Å; Y74-W80 HydrophobicContact CE1-CB 4.19Å; R76-W80 VanDerWaalsContact O-CE3 3.24Å; R76-W80 WeakPolarHBondContact O-CZ3 3.48Å; Y77-W80 VanDerWaalsContact CA-CE2 3.46Å; Y77-W80 PolarHBondContact O-N 3.01Å; E78-W80 VanDerWaalsContact C-N 3.34Å; E78-W80 PolarHBondContact O-N 3.04Å; W80-G82 PolarHBondContact O-N 2.79Å; W80-M91 VanDerWaalsContact CD1-CE 3.45Å; W80-M91 HydrophobicContact CD2-CE 4.15Å; W80-M91 HydrophobicContact CG-CE 3.89Å; W80-Q161 PolarHBondContact O-NE2 3.19Å; W80-Q161 VanDerWaalsContact O-NE2 3.13Å
81S85.4Confident85.8Confident9 Ų964.3 Ų64.36%0.06333%0.328CS..Hα-helixtrans-72.1-21176.159.80000112.3Y77 E78 S84Y77-S81 WeakPolarHBondContact O-CB 3.45Å; Y77-S81 PolarHBondContact O-N 3.1Å; Y77-S81 PolarHBondContact O-OG 2.97Å; E78-S81 WeakPolarHBondContact CA-OG 3.42Å; S81-S84 WeakPolarHBondContact O-CB 3.23Å
82G74.2Confident85.8Confident44 Ų4458.3 Ų58.345%0.45430%0.303SS..  trans64.2-152.1178.500000112.2E78 W80 S84E78-G82 PolarHBondContact O-N 3.31Å; W80-G82 PolarHBondContact O-N 2.79Å; G82-S84 PolarHBondContact O-N 3.18Å
83N69.2Low85.9Confident115 Ų11557 Ų5762%0.61529%0.291SS*.SBendtrans-90.954.6174.2-163.9-1.9000110.4R158 G159N83-R158 HydrophobicContact CB-CG 4.1Å; N83-G159 PolarHBondContact O-N 3.11Å
84S65.5Low85.9Confident15 Ų1552.4 Ų52.411%0.10527%0.266CS..  trans-78132.3174.2-1760000109.7S81 G82 Y86S81-S84 WeakPolarHBondContact O-CB 3.23Å; G82-S84 PolarHBondContact O-N 3.18Å; S84-Y86 PolarHBondContact O-N 3.44Å; S84-Y86 WeakPolarHBondContact OG-CB 3.4Å; S84-Y86 PolarHBondContact OG-N 2.98Å; S84-Y86 VanDerWaalsContact OG-N 3.14Å; S84-Y86 PolarHBondContact OG-O 2.81Å
85S62.3Low85.9Confident85 Ų8551.7 Ų51.759%0.59426%0.263SS*.SBendtrans-65.4-18168.447.10000112.2
86Y70.9Confident85.9Confident59 Ų5950.3 Ų50.323%0.23125%0.254CS..SBendtrans-90.8103.4173.5-173.7-103.4000109.9E58 Q65 S84 T88 Y160E58-Y86 PolarHBondContact OE1-OH 2.81Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.47Å; E58-Y86 PolarHBondContact OE2-OH 2.97Å; Q65-Y86 HydrophobicContact CB-CD1 4.27Å; Q65-Y86 HydrophobicContact CB-CE1 4.02Å; Q65-Y86 HydrophobicContact CG-CD1 4.25Å; S84-Y86 PolarHBondContact O-N 3.44Å; S84-Y86 WeakPolarHBondContact OG-CB 3.4Å; S84-Y86 PolarHBondContact OG-N 2.98Å; S84-Y86 VanDerWaalsContact OG-N 3.14Å; S84-Y86 PolarHBondContact OG-O 2.81Å; Y86-T88 HydrophobicContact CD1-CG2 3.87Å; Y86-T88 HydrophobicContact CE1-CG2 3.63Å; Y86-T88 PolarHBondContact O-N 2.84Å; Y86-Y160 AromaticContact CD1-CE1 3.93Å; Y86-Y160 HydrophobicContact CD1-CE1 3.93Å; Y86-Y160 AromaticContact CD2-CE1 3.81Å; Y86-Y160 HydrophobicContact CD2-CE1 3.81Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.47Å; Y86-Y160 HydrophobicContact CG-CD1 4.37Å; Y86-Y160 AromaticContact CG-CE1 3.4Å; Y86-Y160 HydrophobicContact CG-CE1 3.4Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.4Å
87R71Confident86Confident218 Ų21844.8 Ų44.882%0.82323%0.233SC*.  trans-86.6102.9178.3-65.7-167.6-178.2-160.61.2109.7
88T83.1Confident86.2Confident8 Ų848 Ų485%0.04925%0.248CC..  trans-127.1134.4165.4-172.70000109.1E58 F67 Y86 H90E58-T88 HydrophobicContact CG-CG2 4.35Å; E58-T88 WeakPolarHBondContact OE1-CB 3.37Å; E58-T88 PolarHBondContact OE1-OG1 2.79Å; F67-T88 HydrophobicContact CE1-CG2 4.37Å; F67-T88 HydrophobicContact CE2-CG2 4.44Å; F67-T88 HydrophobicContact CZ-CG2 3.56Å; Y86-T88 HydrophobicContact CD1-CG2 3.87Å; Y86-T88 HydrophobicContact CE1-CG2 3.63Å; Y86-T88 PolarHBondContact O-N 2.84Å; T88-H90 PolarHBondContact OG1-N 2.91Å
89E85.7Confident86.4Confident75 Ų7545.3 Ų45.335%0.3524%0.238SC..  trans-96.8-0.6174.1-59.7-177.217900111.2R45 Y77R45-E89 IonicContact CZ-OE2 2.85Å; R45-E89 IonicContact NH1-OE2 3.09Å; R45-E89 PolarHBondContact NH1-OE2 3.03Å; R45-E89 IonicContact NH2-OE2 3.74Å; R45-E89 PolarHBondContact NH2-OE2 2.98Å; Y77-E89 HydrophobicContact CD1-CG 4.02Å; Y77-E89 HydrophobicContact CD2-CG 3.96Å; Y77-E89 HydrophobicContact CE1-CG 4.05Å; Y77-E89 HydrophobicContact CE2-CG 4.01Å; Y77-E89 HydrophobicContact CG-CB 4.41Å; Y77-E89 HydrophobicContact CG-CG 3.99Å
90H91.3Very high86.4Confident104 Ų10443.8 Ų43.848%0.48123%0.225SC..  trans-86.6129.2-175.5-62.9-76.3000110.2E58 T88E58-H90 WeakPolarHBondContact CA-O 3.22Å; E58-H90 HydrophobicContact CG-CB 4.16Å; T88-H90 PolarHBondContact OG1-N 2.91Å
91M95.9Very high86.5Confident1 Ų146.4 Ų46.41%0.00524%0.24CC..  trans-137.5107.8162.9-176.2-174.2-63.700106.5I47 F57 F67 L69 W80I47-M91 HydrophobicContact CD1-CE 3.74Å; I47-M91 HydrophobicContact CD1-SD 3.59Å; I47-M91 VanDerWaalsContact CD1-SD 3.59Å; F57-M91 CarbonylContact O-C 3.59Å; F57-M91 VanDerWaalsContact O-CA 3.27Å; F57-M91 WeakPolarHBondContact O-CA 3.1Å; F67-M91 HydrophobicContact CB-CE 4.11Å; F67-M91 HydrophobicContact CD2-CE 3.92Å; F67-M91 HydrophobicContact CG-CE 4.23Å; L69-M91 HydrophobicContact CD1-CE 4Å; L69-M91 HydrophobicContact CD1-SD 3.98Å; L69-M91 HydrophobicContact CD2-CE 4.29Å; W80-M91 VanDerWaalsContact CD1-CE 3.45Å; W80-M91 HydrophobicContact CD2-CE 4.15Å; W80-M91 HydrophobicContact CG-CE 3.89Å
92L97.3Very high86.7Confident24 Ų2448.4 Ų48.413%0.12625%0.248CC..  trans-114.8-9.1-169-61.8-179.9000113.4N35 I36 F57 E58 P60N35-L92 WeakPolarHBondContact CA-O 3.33Å; I36-L92 HydrophobicContact CD1-CD2 3.6Å; I36-L92 HydrophobicContact CG1-CD2 3.88Å; I36-L92 WeakPolarHBondContact CG2-O 3.48Å; I36-L92 PolarHBondContact N-O 2.75Å; F57-L92 PolarHBondContact O-N 3.2Å; E58-L92 WeakPolarHBondContact O-CB 3.15Å; E58-L92 WeakPolarHBondContact O-CD1 3.43Å; E58-L92 VanDerWaalsContact O-CG 3.23Å; E58-L92 WeakPolarHBondContact O-CG 3.48Å; P60-L92 HydrophobicContact CG-CB 4.16Å; P60-L92 HydrophobicContact CG-CD1 4.37Å
93S98.5Very high87.6Confident0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-149.4158.717066.50000111.4C33 Q34 F57 Y59 F62C33-S93 CarbonylContact O-C 3.48Å; C33-S93 WeakPolarHBondContact O-CA 3.45Å; C33-S93 WeakPolarHBondContact O-CB 3.22Å; Q34-S93 VanDerWaalsContact O-CB 3.23Å; Q34-S93 WeakPolarHBondContact O-CB 3.45Å; F57-S93 WeakPolarHBondContact CB-OG 3.5Å; F57-S93 PolarHBondContact N-O 3.16Å; F57-S93 PolarHBondContact O-N 3.22Å; Y59-S93 PolarHBondContact O-OG 3.46Å; F62-S93 VanDerWaalsContact CA-OG 3.32Å; F62-S93 WeakPolarHBondContact CA-OG 3.48Å; F62-S93 PolarHBondContact N-OG 3.28Å
94F98.5Very high88.7Confident0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-159.4156.6176.951.5-94.9000111.6I14 V16 F29 E32 C33 I36 I44 W54 V55I14-F94 HydrophobicContact CG2-CD2 4.12Å; I14-F94 HydrophobicContact CG2-CE2 3.79Å; V16-F94 HydrophobicContact CG1-CE1 4.17Å; V16-F94 HydrophobicContact CG1-CZ 4.24Å; F29-F94 HydrophobicContact CB-CE2 3.76Å; F29-F94 HydrophobicContact CB-CZ 4.25Å; F29-F94 AromaticContact CD1-CE2 3.9Å; F29-F94 HydrophobicContact CD1-CE2 3.9Å; F29-F94 AromaticContact CD1-CZ 3.79Å; F29-F94 HydrophobicContact CD1-CZ 3.79Å; F29-F94 AromaticContact CD2-CE2 3.94Å; F29-F94 HydrophobicContact CD2-CE2 3.94Å; F29-F94 AromaticContact CD2-CZ 3.52Å; F29-F94 HydrophobicContact CD2-CZ 3.52Å; F29-F94 HydrophobicContact CE1-CE2 4.46Å; F29-F94 AromaticContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE1-CZ 3.92Å; F29-F94 AromaticContact CE2-CZ 3.68Å; F29-F94 HydrophobicContact CE2-CZ 3.68Å; F29-F94 AromaticContact CG-CE2 3.61Å; F29-F94 HydrophobicContact CG-CE2 3.61Å; F29-F94 AromaticContact CG-CZ 3.59Å; F29-F94 HydrophobicContact CG-CZ 3.59Å; F29-F94 AromaticContact CZ-CZ 3.86Å; F29-F94 HydrophobicContact CZ-CZ 3.86Å; E32-F94 CarbonylContact C-O 3.36Å; E32-F94 WeakPolarHBondContact CA-O 3.24Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.23Å; C33-F94 HydrophobicContact CB-CE1 3.95Å; C33-F94 HydrophobicContact CB-CE2 3.71Å; C33-F94 HydrophobicContact CB-CZ 3.55Å; C33-F94 PolarHBondContact N-O 2.81Å; C33-F94 PolarHBondContact O-N 2.99Å; I36-F94 HydrophobicContact CG2-CD1 4.43Å; I36-F94 HydrophobicContact CG2-CE1 3.86Å; I44-F94 HydrophobicContact CD1-CD1 4.24Å; I44-F94 HydrophobicContact CD1-CE1 3.87Å; W54-F94 AromaticContact CE3-CD2 3.82Å; W54-F94 HydrophobicContact CE3-CD2 3.82Å; W54-F94 AromaticContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CE2 4.18Å; V55-F94 CarbonylContact O-C 3.53Å; V55-F94 WeakPolarHBondContact O-CA 3.14Å; V55-F94 VanDerWaalsContact O-CB 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.35Å
95R98Very high90.2Very high11 Ų1150.3 Ų50.34%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-149.5157.5178.466.9179.2172.378.70.1112E32 W54 V55 F57 F62 E165 R168E32-R95 HydrophobicContact CB-CB 3.58Å; W54-R95 WeakPolarHBondContact CA-O 3.38Å; V55-R95 HydrophobicContact CG1-CG 3.62Å; V55-R95 PolarHBondContact N-O 2.75Å; V55-R95 PolarHBondContact O-N 3.23Å; F57-R95 HydrophobicContact CE2-CG 4.07Å; F62-R95 HydrophobicContact CD1-CB 4.47Å; F62-R95 HydrophobicContact CD1-CG 4.5Å; F62-R95 HydrophobicContact CE1-CB 3.97Å; F62-R95 HydrophobicContact CE1-CG 4.46Å; F62-R95 HydrophobicContact CZ-CB 4.31Å; R95-E165 IonicContact CZ-OE1 3.78Å; R95-E165 IonicContact CZ-OE2 3.72Å; R95-E165 VanDerWaalsContact NH1-CD 3.29Å; R95-E165 IonicContact NH1-OE1 3.58Å; R95-E165 PolarHBondContact NH1-OE1 2.9Å; R95-E165 IonicContact NH1-OE2 3.99Å; R95-E165 PolarHBondContact NH1-OE2 3.11Å; R95-E165 IonicContact NH2-OE1 3.55Å; R95-E165 PolarHBondContact NH2-OE1 3.47Å; R95-R168 VanDerWaalsContact NE-NH2 3.13Å; R95-R168 VanDerWaalsContact NH2-NE 3.17Å
96P97.6Very high91.9Very high10 Ų1050.1 Ų50.17%0.06524%0.244CC..EExtended strand (participates in β ladder)trans-68.7153.1171.629.2-34.9000111.6F12 W54F12-P96 HydrophobicContact CB-CB 4.16Å; F12-P96 HydrophobicContact CD1-CB 3.52Å; F12-P96 HydrophobicContact CD2-CB 3.81Å; F12-P96 HydrophobicContact CD2-CG 4.45Å; F12-P96 HydrophobicContact CE1-CB 3.78Å; F12-P96 HydrophobicContact CE2-CB 4.07Å; F12-P96 HydrophobicContact CG-CB 3.54Å; F12-P96 HydrophobicContact CG-CG 4.48Å; F12-P96 HydrophobicContact CZ-CB 4.05Å; W54-P96 HydrophobicContact CD2-CB 4.45Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CZ3-CB 4.5Å; W54-P96 HydrophobicContact CZ3-CG 4.49Å
97I97.1Very high93.3Very high1 Ų147.3 Ų47.31%0.00523%0.233CC..  trans-104.199.8172.4-59.3175.3000107.5P53 V55 I68 A100 A148 I163 E165 I194P53-I97 HydrophobicContact CB-CD1 4.38Å; P53-I97 HydrophobicContact CG-CB 4.08Å; P53-I97 PolarHBondContact O-N 2.91Å; V55-I97 HydrophobicContact CB-CD1 4.05Å; V55-I97 HydrophobicContact CB-CG1 4.19Å; V55-I97 HydrophobicContact CG1-CD1 4.31Å; V55-I97 HydrophobicContact CG1-CG1 3.92Å; I68-I97 HydrophobicContact CD1-CD1 3.55Å; I97-A100 HydrophobicContact CG2-CB 3.92Å; I97-A148 HydrophobicContact CG2-CB 3.59Å; I97-I163 HydrophobicContact CD1-CG2 3.86Å; I97-E165 HydrophobicContact CG2-CG 3.96Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.46Å; I97-I194 HydrophobicContact CD1-CD1 3.9Å
98K94.6Very high94.6Very high96 Ų9637 Ų3742%0.41719%0.194SC..THydrogen-bonded Turntrans-80.1-28.5-167.5-60.3-172.8-173.5-173.70113.7F12 A100F12-K98 HydrophobicContact CE2-CG 4.34Å; F12-K98 HydrophobicContact CZ-CG 4.41Å; K98-A100 VanDerWaalsContact C-N 3.34Å
99C94.3Very high95.3Very high26 Ų2636.6 Ų36.618%0.17619%0.192CC..THydrogen-bonded Turntrans-89.55.5-178.566.40000114N101 G147 D167C99-N101 PolarHBondContact O-N 2.84Å; C99-G147 CarbonylContact O-C 3.59Å; C99-G147 VanDerWaalsContact O-CA 3.25Å; C99-G147 WeakPolarHBondContact O-CA 3.19Å; C99-D167 HydrophobicContact CB-CB 4.13Å; C99-D167 VanDerWaalsContact SG-CG 3.58Å; C99-D167 PolarHBondContact SG-OD1 3.43Å
100A93.4Very high95.9Very high13 Ų1334.6 Ų34.611%0.10718%0.181CC..  trans-63.3118.2177.200000110.7P53 I97 K98 A148 I194 H196P53-A100 HydrophobicContact CG-CB 3.34Å; 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 4.1Å; A100-H196 HydrophobicContact CB-CB 4.31Å
101N92.5Very high96.2Very high61 Ų6132.1 Ų32.133%0.32617%0.17SC..  trans-14697.9175.8-176.2-6.6000108.6C99 S103 D104 S105C99-N101 PolarHBondContact O-N 2.84Å; N101-S103 VanDerWaalsContact C-N 3.32Å; N101-S103 PolarHBondContact O-N 2.85Å; N101-S103 PolarHBondContact OD1-OG 2.84Å; N101-S103 VanDerWaalsContact OD1-OG 3.11Å; N101-D104 CarbonylContact O-C 3.35Å; N101-D104 PolarHBondContact O-N 2.84Å; N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 PolarHBondContact O-OG 3.37Å
102H90.3Very high96.3Very high50 Ų5035 Ų3523%0.23119%0.19CC..G310 helixtrans-63.1-37.4-169.1-174.679.5000112.5D125 R193 H196H102-D125 IonicContact CE1-OD2 2.69Å; H102-R193 PolarHBondContact CE1-NE 3.28Å; H102-H196 PolarHBondContact N-ND1 3.31Å
103S92.3Very high96.3Very high107 Ų10737.9 Ų37.975%0.74820%0.202SC*.G310 helixtrans-78.6-18.2-176.452.70000114.2N101N101-S103 VanDerWaalsContact C-N 3.32Å; N101-S103 PolarHBondContact O-N 2.85Å; N101-S103 PolarHBondContact OD1-OG 2.84Å; N101-S103 VanDerWaalsContact OD1-OG 3.11Å
104D93.6Very high96.3Very high102 Ų10241.1 Ų41.155%0.54522%0.219SC..G310 helixtrans-123.837.4-179.9-171.234.5000111.4N101 S146N101-D104 CarbonylContact O-C 3.35Å; N101-D104 PolarHBondContact O-N 2.84Å; D104-S146 WeakPolarHBondContact O-CB 3.4Å; D104-S146 PolarHBondContact O-OG 2.94Å
105S96.6Very high96.3Very high6 Ų642.5 Ų42.54%0.04223%0.225CC..  trans-90.5127177.3-74.10000111.2N101 C123N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 PolarHBondContact O-OG 3.37Å; S105-C123 WeakPolarHBondContact O-CA 3.36Å
106K98.4Very high96.3Very high80 Ų8047.6 Ų47.635%0.34825%0.25SC..EExtended strand (participates in β ladder)trans-138.4134.9173.9-176.6176.5179.2172.80110.8E121 M122 N145 S146K106-E121 VanDerWaalsContact CE-OE2 3.22Å; K106-E121 WeakPolarHBondContact CE-OE2 3.49Å; K106-E121 IonicContact NZ-OE2 3.43Å; K106-E121 PolarHBondContact NZ-OE2 3.4Å; K106-M122 WeakPolarHBondContact CA-O 3.44Å; K106-N145 HydrophobicContact CB-CB 4.02Å; K106-N145 HydrophobicContact CD-CB 4.22Å; K106-N145 HydrophobicContact CG-CB 3.98Å; K106-N145 WeakPolarHBondContact O-CA 3.38Å; K106-N145 WeakPolarHBondContact O-CB 3.33Å; K106-N145 PolarHBondContact O-N 3.41Å; K106-S146 WeakPolarHBondContact CB-OG 3.48Å; K106-S146 PolarHBondContact N-O 2.79Å; K106-S146 VanDerWaalsContact N-O 3.08Å; K106-S146 PolarHBondContact N-OG 2.88Å; K106-S146 PolarHBondContact O-N 3.23Å; K106-S146 VanDerWaalsContact O-N 3.1Å
107V98.6Very high96.3Very high0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-138.7150.7176.166.50000110.8L109 M122 I142 K143 V144 W149 I191V107-L109 HydrophobicContact CG2-CD2 4.3Å; V107-M122 HydrophobicContact CB-CG 4.46Å; V107-M122 HydrophobicContact CG1-CG 3.18Å; V107-M122 HydrophobicContact CG1-SD 3.52Å; V107-M122 VanDerWaalsContact CG1-SD 3.52Å; V107-M122 PolarHBondContact N-O 2.81Å; V107-M122 PolarHBondContact O-N 3.17Å; V107-I142 HydrophobicContact CG2-CG2 3.29Å; V107-K143 CarbonylContact C-O 3.43Å; V107-K143 WeakPolarHBondContact CA-O 3.37Å; V107-K143 WeakPolarHBondContact CG2-O 3.33Å; V107-V144 HydrophobicContact CG2-CG2 4.22Å; V107-W149 HydrophobicContact CB-CD2 3.99Å; V107-W149 HydrophobicContact CB-CG 4.21Å; V107-W149 HydrophobicContact CB-CZ2 4.05Å; V107-W149 HydrophobicContact CG1-CD2 3.56Å; V107-W149 VanDerWaalsContact CG1-CE2 3.45Å; V107-W149 HydrophobicContact CG1-CE3 3.76Å; V107-W149 HydrophobicContact CG1-CG 4.2Å; V107-W149 HydrophobicContact CG1-CH2 3.74Å; V107-W149 HydrophobicContact CG1-CZ2 3.56Å; V107-W149 HydrophobicContact CG1-CZ3 3.83Å; V107-I191 HydrophobicContact CG1-CD1 4.17Å
108T98.7Very high96.2Very high1 Ų156.7 Ų56.71%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-122.2123.9176.6-50.50000109.4Y110 K119 F120 E121 I142 K143 N145T108-Y110 HydrophobicContact CG2-CD2 4.23Å; T108-Y110 HydrophobicContact CG2-CE1 4.3Å; T108-Y110 HydrophobicContact CG2-CE2 3.54Å; T108-K119 HydrophobicContact CG2-CB 3.88Å; T108-K119 HydrophobicContact CG2-CD 4.16Å; T108-F120 WeakPolarHBondContact CA-O 3.27Å; T108-E121 HydrophobicContact CG2-CG 3.91Å; T108-I142 WeakPolarHBondContact O-CA 3.45Å; T108-K143 PolarHBondContact N-O 2.75Å; T108-K143 PolarHBondContact O-N 3.19Å; T108-N145 PolarHBondContact N-OD1 3.46Å; T108-N145 PolarHBondContact OG1-OD1 3.42Å
109L98.6Very high96.3Very high0 Ų057.9 Ų57.90%031%0.305CS..EExtended strand (participates in β ladder)trans-95.9147.3172.5-46.8-173.8000109.9V107 K119 F120 M122 L129 W134 V139 I142 I191V107-L109 HydrophobicContact CG2-CD2 4.3Å; L109-K119 CarbonylContact O-C 3.57Å; L109-K119 VanDerWaalsContact O-CA 3.24Å; L109-K119 WeakPolarHBondContact O-CA 3.31Å; L109-F120 PolarHBondContact N-O 2.87Å; L109-F120 PolarHBondContact O-N 3.42Å; L109-M122 HydrophobicContact CD1-CE 3.44Å; L109-M122 VanDerWaalsContact CD1-CE 3.44Å; L109-M122 HydrophobicContact CD1-SD 4.42Å; L109-M122 HydrophobicContact CD2-CE 4.43Å; L109-M122 HydrophobicContact CG-CE 3.7Å; L109-M122 HydrophobicContact CG-SD 4.43Å; L109-L129 HydrophobicContact CD1-CD1 3.81Å; L109-L129 HydrophobicContact CD1-CD2 3.81Å; L109-L129 HydrophobicContact CD1-CG 4.49Å; L109-W134 HydrophobicContact CB-CH2 3.92Å; L109-W134 HydrophobicContact CB-CZ2 4.44Å; L109-W134 HydrophobicContact CB-CZ3 3.96Å; L109-V139 HydrophobicContact CB-CG1 3.9Å; L109-V139 HydrophobicContact CD1-CG1 4.4Å; L109-V139 HydrophobicContact CD1-CG2 4.06Å; L109-V139 HydrophobicContact CD2-CG1 4.12Å; L109-V139 HydrophobicContact CG-CG1 4.34Å; L109-I142 HydrophobicContact CD2-CB 4.47Å; L109-I142 HydrophobicContact CD2-CD1 3.98Å; L109-I142 HydrophobicContact CD2-CG1 3.73Å; L109-I142 HydrophobicContact CD2-CG2 4.04Å; L109-I191 HydrophobicContact CD2-CD1 4.22Å
110Y98.5Very high96.5Very high33 Ų3358.9 Ų58.913%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-127.8144179.1-65.8-94.7000111.2T108 C112 F115 K119 W134 P140 S141 K143T108-Y110 HydrophobicContact CG2-CD2 4.23Å; T108-Y110 HydrophobicContact CG2-CE1 4.3Å; T108-Y110 HydrophobicContact CG2-CE2 3.54Å; Y110-C112 VanDerWaalsContact C-N 3.26Å; Y110-C112 PolarHBondContact O-N 2.81Å; Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.29Å; Y110-F115 HydrophobicContact CD2-CB 4.09Å; Y110-F115 AromaticContact CD2-CD1 3.63Å; Y110-F115 HydrophobicContact CD2-CD1 3.63Å; Y110-F115 HydrophobicContact CD2-CG 4.29Å; Y110-F115 HydrophobicContact CE1-CB 3.73Å; Y110-F115 VanDerWaalsContact CE1-O 3.29Å; Y110-F115 WeakPolarHBondContact CE1-O 3.32Å; Y110-F115 HydrophobicContact CE2-CB 3.94Å; Y110-F115 AromaticContact CE2-CD1 3.66Å; Y110-F115 HydrophobicContact CE2-CD1 3.66Å; Y110-F115 HydrophobicContact CE2-CG 4.07Å; Y110-F115 HydrophobicContact CG-CB 4.07Å; Y110-F115 HydrophobicContact CG-CD1 4.28Å; Y110-K119 HydrophobicContact CD1-CB 3.92Å; Y110-K119 HydrophobicContact CE1-CB 3.83Å; Y110-W134 VanDerWaalsContact C-CH2 3.49Å; Y110-P140 WeakPolarHBondContact O-CD 3.5Å; Y110-S141 WeakPolarHBondContact CB-OG 3.39Å; Y110-S141 PolarHBondContact N-O 2.97Å; Y110-K143 HydrophobicContact CE2-CB 3.9Å
111E96.9Very high96.7Very high53 Ų5362.2 Ų62.225%0.24832%0.32CS..SBendtrans-73.3-19.9-176.8-75.3-170.214300113.7R118 W134 P140E111-R118 HydrophobicContact CG-CB 4.07Å; E111-R118 PolarHBondContact N-O 3.33Å; E111-R118 VanDerWaalsContact N-O 3.08Å; E111-R118 IonicContact OE1-CZ 2.75Å; E111-R118 IonicContact OE1-NE 2.74Å; E111-R118 PolarHBondContact OE1-NE 2.7Å; E111-R118 IonicContact OE1-NH2 2.75Å; E111-R118 PolarHBondContact OE1-NH2 3.43Å; E111-R118 WeakPolarHBondContact OE2-CB 3.23Å; E111-R118 VanDerWaalsContact OE2-CG 3.25Å; E111-R118 WeakPolarHBondContact OE2-CG 3.44Å; E111-R118 IonicContact OE2-CZ 3.41Å; E111-R118 PolarHBondContact OE2-N 2.85Å; E111-R118 IonicContact OE2-NE 2.72Å; E111-R118 PolarHBondContact OE2-NE 3.01Å; E111-R118 IonicContact OE2-NH2 3.22Å; E111-W134 HydrophobicContact CB-CH2 4.49Å; E111-W134 HydrophobicContact CG-CH2 3.75Å; E111-W134 HydrophobicContact CG-CZ2 4.22Å; E111-W134 HydrophobicContact CG-CZ3 4.26Å; E111-P140 WeakPolarHBondContact O-CG 3.45Å
112C97.9Very high96.8Very high62 Ų6259.4 Ų59.442%0.41931%0.305SS..SBendtrans-127.8167.4179.4-60.10000110.3Y110 Q116 S141Y110-C112 VanDerWaalsContact C-N 3.26Å; Y110-C112 PolarHBondContact O-N 2.81Å; C112-Q116 HydrophobicContact CB-CB 3.87Å; C112-Q116 PolarHBondContact N-O 2.92Å; C112-Q116 VanDerWaalsContact N-O 3.17Å; C112-S141 PolarHBondContact O-OG 3.09Å
113E98.1Very high97.1Very high83 Ų8360.3 Ų60.339%0.38832%0.316SS..G310 helixtrans-63.4166.1170.8-61.2-172.6161.600110.8F115 Q116 P140 R174 H175E113-F115 PolarHBondContact O-N 2.93Å; E113-F115 VanDerWaalsContact O-N 3.1Å; E113-Q116 WeakPolarHBondContact O-CG 3.46Å; E113-Q116 PolarHBondContact O-N 3.16Å; E113-P140 HydrophobicContact CG-CB 3.74Å; E113-R174 WeakPolarHBondContact CA-O 3.29Å; E113-H175 VanDerWaalsContact CD-ND1 3.26Å; E113-H175 IonicContact OE1-ND1 2.85Å; E113-H175 IonicContact OE2-CE1 3.65Å; E113-H175 PolarHBondContact OE2-CE1 3.22Å; E113-H175 IonicContact OE2-ND1 2.97Å; E113-H175 PolarHBondContact OE2-ND1 3.2Å
114D98.3Very high97.4Very high68 Ų6858.9 Ų58.936%0.36430%0.3SS..G310 helixtrans54.432.2178.5-71.9-58.3000114.6Q116 R174 H175D114-Q116 HydrophobicContact CB-CG 4.44Å; D114-Q116 PolarHBondContact O-N 2.8Å; D114-Q116 PolarHBondContact O-NE2 3.48Å; D114-R174 PolarHBondContact N-O 2.72Å; D114-R174 IonicContact OD1-NH1 2.98Å; D114-H175 IonicContact OD1-NE2 3.77Å; D114-H175 IonicContact OD2-CE1 2.92Å; D114-H175 IonicContact OD2-NE2 2.81Å
115F98.3Very high97.6Very high29 Ų2956.6 Ų56.613%0.12729%0.288CS..G310 helixtrans60.231.9177.6-45.1-47000114Y110 E113 S141 I142 K143 E172 Y173 R174Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.29Å; Y110-F115 HydrophobicContact CD2-CB 4.09Å; Y110-F115 AromaticContact CD2-CD1 3.63Å; Y110-F115 HydrophobicContact CD2-CD1 3.63Å; Y110-F115 HydrophobicContact CD2-CG 4.29Å; Y110-F115 HydrophobicContact CE1-CB 3.73Å; Y110-F115 VanDerWaalsContact CE1-O 3.29Å; Y110-F115 WeakPolarHBondContact CE1-O 3.32Å; Y110-F115 HydrophobicContact CE2-CB 3.94Å; Y110-F115 AromaticContact CE2-CD1 3.66Å; Y110-F115 HydrophobicContact CE2-CD1 3.66Å; Y110-F115 HydrophobicContact CE2-CG 4.07Å; Y110-F115 HydrophobicContact CG-CB 4.07Å; Y110-F115 HydrophobicContact CG-CD1 4.28Å; E113-F115 PolarHBondContact O-N 2.93Å; E113-F115 VanDerWaalsContact O-N 3.1Å; F115-S141 PolarHBondContact N-OG 3.31Å; F115-S141 VanDerWaalsContact N-OG 3.13Å; F115-I142 WeakPolarHBondContact CE1-O 3.49Å; F115-K143 HydrophobicContact CE1-CB 4.28Å; F115-E172 HydrophobicContact CE2-CB 4.01Å; F115-E172 HydrophobicContact CE2-CG 4.15Å; F115-E172 HydrophobicContact CZ-CB 3.67Å; F115-E172 HydrophobicContact CZ-CG 4.14Å; F115-Y173 WeakPolarHBondContact CE1-O 3.49Å; F115-R174 HydrophobicContact CD2-CG 4.45Å; F115-R174 HydrophobicContact CE1-CG 4.28Å; F115-R174 HydrophobicContact CE2-CG 3.61Å; F115-R174 HydrophobicContact CZ-CB 4.41Å; F115-R174 HydrophobicContact CZ-CG 3.49Å; F115-R174 VanDerWaalsContact CZ-CG 3.49Å
116Q98.3Very high97.6Very high119 Ų11957.5 Ų57.556%0.55629%0.29SS*.  trans-95167.9178.6-56.9-55-55.100112.4C112 E113 D114C112-Q116 HydrophobicContact CB-CB 3.87Å; C112-Q116 PolarHBondContact N-O 2.92Å; C112-Q116 VanDerWaalsContact N-O 3.17Å; E113-Q116 WeakPolarHBondContact O-CG 3.46Å; E113-Q116 PolarHBondContact O-N 3.16Å; D114-Q116 HydrophobicContact CB-CG 4.44Å; D114-Q116 PolarHBondContact O-N 2.8Å; D114-Q116 PolarHBondContact O-NE2 3.48Å
117G96.8Very high97.6Very high55 Ų5556.9 Ų56.957%0.56730%0.295SS*.SBendtrans80.2-161178.100000113.4
118R96.1Very high97.6Very high147 Ų14758.3 Ų58.356%0.55530%0.304SS*.  trans-69.5147.8176-58.7-179.5-74.1174.9-0.2109.5E111E111-R118 HydrophobicContact CG-CB 4.07Å; E111-R118 PolarHBondContact N-O 3.33Å; E111-R118 VanDerWaalsContact N-O 3.08Å; E111-R118 IonicContact OE1-CZ 2.75Å; E111-R118 IonicContact OE1-NE 2.74Å; E111-R118 PolarHBondContact OE1-NE 2.7Å; E111-R118 IonicContact OE1-NH2 2.75Å; E111-R118 PolarHBondContact OE1-NH2 3.43Å; E111-R118 WeakPolarHBondContact OE2-CB 3.23Å; E111-R118 VanDerWaalsContact OE2-CG 3.25Å; E111-R118 WeakPolarHBondContact OE2-CG 3.44Å; E111-R118 IonicContact OE2-CZ 3.41Å; E111-R118 PolarHBondContact OE2-N 2.85Å; E111-R118 IonicContact OE2-NE 2.72Å; E111-R118 PolarHBondContact OE2-NE 3.01Å; E111-R118 IonicContact OE2-NH2 3.22Å
119K96.8Very high97.6Very high120 Ų12058.3 Ų58.352%0.52230%0.304SS..EExtended strand (participates in β ladder)trans-114.7149.6176.367.1169.6-178.1163.10111.7T108 L109 Y110 E121T108-K119 HydrophobicContact CG2-CB 3.88Å; T108-K119 HydrophobicContact CG2-CD 4.16Å; L109-K119 CarbonylContact O-C 3.57Å; L109-K119 VanDerWaalsContact O-CA 3.24Å; L109-K119 WeakPolarHBondContact O-CA 3.31Å; Y110-K119 HydrophobicContact CD1-CB 3.92Å; Y110-K119 HydrophobicContact CE1-CB 3.83Å; K119-E121 IonicContact NZ-OE1 3.46Å; K119-E121 PolarHBondContact NZ-OE1 2.92Å
120F97.3Very high97.5Very high48 Ų4860.9 Ų60.921%0.21132%0.316CS..EExtended strand (participates in β ladder)trans-129.2111174.4-163.1-64.3000108.9T108 L109 M122 Y126 M132 W134T108-F120 WeakPolarHBondContact CA-O 3.27Å; L109-F120 PolarHBondContact N-O 2.87Å; L109-F120 PolarHBondContact O-N 3.42Å; F120-M122 HydrophobicContact CD1-CE 3.79Å; F120-M122 HydrophobicContact CE1-CE 4.18Å; F120-Y126 AromaticContact CE1-CE1 3.8Å; F120-Y126 HydrophobicContact CE1-CE1 3.8Å; F120-Y126 HydrophobicContact CZ-CE1 4.12Å; F120-M132 VanDerWaalsContact CE2-O 3.22Å; F120-M132 WeakPolarHBondContact CE2-O 3.25Å; F120-M132 HydrophobicContact CZ-CB 4.39Å; F120-M132 WeakPolarHBondContact CZ-O 3.48Å; F120-W134 HydrophobicContact CB-CE3 3.62Å; F120-W134 HydrophobicContact CB-CZ3 3.61Å; F120-W134 HydrophobicContact CD2-CE3 4.15Å; F120-W134 HydrophobicContact CG-CE3 4.17Å
121E97.3Very high97.4Very high82 Ų8263.3 Ų63.338%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-90.7138.2176.8-63.7-172.9-171.100110.2K106 T108 K119K106-E121 VanDerWaalsContact CE-OE2 3.22Å; K106-E121 WeakPolarHBondContact CE-OE2 3.49Å; K106-E121 IonicContact NZ-OE2 3.43Å; K106-E121 PolarHBondContact NZ-OE2 3.4Å; T108-E121 HydrophobicContact CG2-CG 3.91Å; K119-E121 IonicContact NZ-OE1 3.46Å; K119-E121 PolarHBondContact NZ-OE1 2.92Å
122M95.7Very high97.3Very high3 Ų365.7 Ų65.72%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-142.7149.2-17961.7-174.857.600112K106 V107 L109 F120 Y126 L129 W149 I191K106-M122 WeakPolarHBondContact CA-O 3.44Å; V107-M122 HydrophobicContact CB-CG 4.46Å; V107-M122 HydrophobicContact CG1-CG 3.18Å; V107-M122 HydrophobicContact CG1-SD 3.52Å; V107-M122 VanDerWaalsContact CG1-SD 3.52Å; V107-M122 PolarHBondContact N-O 2.81Å; V107-M122 PolarHBondContact O-N 3.17Å; L109-M122 HydrophobicContact CD1-CE 3.44Å; L109-M122 VanDerWaalsContact CD1-CE 3.44Å; L109-M122 HydrophobicContact CD1-SD 4.42Å; L109-M122 HydrophobicContact CD2-CE 4.43Å; L109-M122 HydrophobicContact CG-CE 3.7Å; L109-M122 HydrophobicContact CG-SD 4.43Å; F120-M122 HydrophobicContact CD1-CE 3.79Å; F120-M122 HydrophobicContact CE1-CE 4.18Å; M122-Y126 HydrophobicContact CB-CD2 4.33Å; M122-Y126 HydrophobicContact CB-CE1 4.46Å; M122-Y126 HydrophobicContact CB-CE2 3.72Å; M122-Y126 HydrophobicContact CE-CD1 4.46Å; M122-Y126 HydrophobicContact SD-CD2 4.43Å; M122-L129 HydrophobicContact CE-CD2 3.62Å; M122-W149 HydrophobicContact CG-CH2 4.03Å; M122-W149 HydrophobicContact CG-CZ3 4.27Å; M122-W149 HydrophobicContact SD-CZ3 4.25Å; M122-I191 HydrophobicContact CE-CG2 4.16Å; M122-I191 HydrophobicContact SD-CD1 4.37Å; M122-I191 HydrophobicContact SD-CG2 3.35Å; M122-I191 WeakPolarHBondContact SD-CG2 3.41Å
123C96.8Very high97.1Very high69 Ų6965 Ų6547%0.46636%0.359SS..  trans-132.93.2-179.4550000113.3S105 R193S105-C123 WeakPolarHBondContact O-CA 3.36Å; C123-R193 WeakPolarHBondContact O-CD 3.32Å; C123-R193 PolarHBondContact O-NH1 2.86Å
124D97.1Very high97.1Very high77 Ų7761.5 Ų61.541%0.41234%0.342SS..SBendtrans-128.4-178.5-177.7-71.8-63.6000111.7Y126 W149 R193D124-Y126 HydrophobicContact CB-CE2 3.96Å; D124-Y126 WeakPolarHBondContact O-CD2 3.43Å; D124-Y126 WeakPolarHBondContact O-CE2 3.41Å; D124-W149 WeakPolarHBondContact O-CH2 3.41Å; D124-W149 VanDerWaalsContact O-CZ3 3.23Å; D124-W149 WeakPolarHBondContact O-CZ3 3.32Å; D124-R193 IonicContact OD1-CZ 3.32Å; D124-R193 IonicContact OD1-NH1 3.92Å; D124-R193 PolarHBondContact OD1-NH1 3.46Å; D124-R193 IonicContact OD1-NH2 3.64Å; D124-R193 PolarHBondContact OD1-NH2 2.85Å
125D98.2Very high96.8Very high53 Ų5362.6 Ų62.628%0.28335%0.354SS..  trans-90.8131.9179.8-51.5-41.7000111H102 P127 R192 R193H102-D125 IonicContact CE1-OD2 2.69Å; D125-P127 WeakPolarHBondContact O-CD 3.12Å; D125-R192 HydrophobicContact CB-CB 3.84Å; D125-R192 WeakPolarHBondContact OD1-CB 3.47Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.07Å; D125-R193 IonicContact OD1-CZ 3.86Å; D125-R193 PolarHBondContact OD1-N 2.89Å; D125-R193 IonicContact OD1-NE 2.63Å; D125-R193 PolarHBondContact OD1-NE 2.98Å; D125-R193 IonicContact OD1-NH2 2.75Å; D125-R193 IonicContact OD2-CZ 2.77Å; D125-R193 IonicContact OD2-NE 2.88Å; D125-R193 IonicContact OD2-NH2 3.58Å; D125-R193 PolarHBondContact OD2-NH2 2.63Å
126Y97.9Very high96.7Very high26 Ų2663.3 Ų63.310%0.10236%0.363CS..BIsolated β-bridgetrans-122.392.5-170.6-73.9-124.1000108.8F120 M122 D124 S128 L129 M132 S190 I191F120-Y126 AromaticContact CE1-CE1 3.8Å; F120-Y126 HydrophobicContact CE1-CE1 3.8Å; F120-Y126 HydrophobicContact CZ-CE1 4.12Å; M122-Y126 HydrophobicContact CB-CD2 4.33Å; M122-Y126 HydrophobicContact CB-CE1 4.46Å; M122-Y126 HydrophobicContact CB-CE2 3.72Å; M122-Y126 HydrophobicContact CE-CD1 4.46Å; M122-Y126 HydrophobicContact SD-CD2 4.43Å; D124-Y126 HydrophobicContact CB-CE2 3.96Å; D124-Y126 WeakPolarHBondContact O-CD2 3.43Å; D124-Y126 WeakPolarHBondContact O-CE2 3.41Å; Y126-S128 PolarHBondContact O-N 2.7Å; Y126-L129 HydrophobicContact CD1-CD2 4.3Å; Y126-L129 HydrophobicContact CG-CD2 4.45Å; Y126-M132 HydrophobicContact CD1-CB 3.41Å; Y126-M132 VanDerWaalsContact CD1-CB 3.41Å; Y126-M132 HydrophobicContact CD1-CE 4.28Å; Y126-M132 HydrophobicContact CD1-CG 3.33Å; Y126-M132 HydrophobicContact CE1-CB 3.48Å; Y126-M132 VanDerWaalsContact CE1-CB 3.48Å; Y126-M132 HydrophobicContact CE1-CE 3.7Å; Y126-M132 HydrophobicContact CE1-CG 3.64Å; Y126-M132 HydrophobicContact CG-CG 4.23Å; Y126-S190 VanDerWaalsContact O-CA 3.24Å; Y126-S190 WeakPolarHBondContact O-CA 3.35Å; Y126-S190 WeakPolarHBondContact O-CB 3.36Å; Y126-I191 PolarHBondContact N-O 3.02Å; Y126-I191 PolarHBondContact O-N 3.43Å
127P97.8Very high96.6Very high67 Ų6763.8 Ų63.844%0.43536%0.363SS..SBendtrans-68.5-15.2177.328.1-34.6000112.6D125 P155 G156 Y157 S190D125-P127 WeakPolarHBondContact O-CD 3.12Å; P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.3Å; P127-P155 WeakPolarHBondContact O-CA 3.38Å; P127-P155 WeakPolarHBondContact O-CB 3.42Å; P127-G156 PolarHBondContact O-N 3.17Å; P127-Y157 HydrophobicContact CB-CE1 4.36Å; P127-Y157 HydrophobicContact CB-CE2 4.29Å; P127-Y157 WeakPolarHBondContact CD-OH 3.2Å; P127-S190 WeakPolarHBondContact O-CB 3.43Å
128S98.1Very high96.7Very high29 Ų2965.6 Ų65.620%0.20336%0.357CS..  trans-146.6113.8167175.60000109.9Y126 Q130 A131 M132 Q189Y126-S128 PolarHBondContact O-N 2.7Å; S128-Q130 VanDerWaalsContact C-N 3.27Å; S128-Q130 PolarHBondContact O-N 2.97Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 PolarHBondContact OG-N 2.93Å; S128-M132 WeakPolarHBondContact O-CG 3.4Å; S128-M132 PolarHBondContact O-N 3.2Å; S128-Q189 WeakPolarHBondContact CA-O 3.42Å
129L98.1Very high96.8Very high1 Ų158.6 Ų58.61%0.00533%0.33CS..THydrogen-bonded Turntrans-61.3-39.4174.5-74178.5000111.3L109 M122 Y126 M132 G133 W134 V139 V188 Q189 I191L109-L129 HydrophobicContact CD1-CD1 3.81Å; L109-L129 HydrophobicContact CD1-CD2 3.81Å; L109-L129 HydrophobicContact CD1-CG 4.49Å; M122-L129 HydrophobicContact CE-CD2 3.62Å; Y126-L129 HydrophobicContact CD1-CD2 4.3Å; Y126-L129 HydrophobicContact CG-CD2 4.45Å; L129-M132 CarbonylContact O-C 3.58Å; L129-M132 PolarHBondContact O-N 2.9Å; L129-M132 VanDerWaalsContact O-N 3.13Å; L129-G133 PolarHBondContact O-N 2.69Å; L129-W134 HydrophobicContact CB-CB 3.77Å; L129-W134 HydrophobicContact CB-CG 4.19Å; L129-W134 VanDerWaalsContact O-CB 3.26Å; L129-W134 WeakPolarHBondContact O-CB 3.47Å; L129-W134 PolarHBondContact O-N 2.81Å; L129-V139 HydrophobicContact CD1-CG2 4.14Å; L129-V188 HydrophobicContact CD1-CG1 3.95Å; L129-V188 WeakPolarHBondContact CD1-O 3.38Å; L129-Q189 PolarHBondContact N-O 2.74Å; L129-I191 HydrophobicContact CD2-CG2 3.74Å; L129-I191 HydrophobicContact CG-CG2 4.41Å
130Q96.8Very high96.9Very high55 Ų5553.6 Ų53.626%0.25731%0.31SS..G310 helixtrans-66.1-40.6-179-62.677.221.500112.2S128 M132 G133 W134 S136S128-Q130 VanDerWaalsContact C-N 3.27Å; S128-Q130 PolarHBondContact O-N 2.97Å; Q130-M132 PolarHBondContact O-N 2.76Å; Q130-G133 PolarHBondContact O-N 2.84Å; Q130-G133 VanDerWaalsContact O-N 3.11Å; Q130-W134 WeakPolarHBondContact CA-O 3.4Å; Q130-S136 PolarHBondContact NE2-O 2.93Å
131A96.9Very high96.9Very high84 Ų8451.3 Ų51.369%0.69430%0.3SS*.G310 helixtrans-61.9-23.6175.800000112.7S128S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 PolarHBondContact OG-N 2.93Å
132M95.4Very high97Very high102 Ų10247.4 Ų47.450%0.50228%0.282SS..G310 helixtrans-97.75.5-179.2-59.5-61.2-66.900113.3F120 Y126 S128 L129 Q130F120-M132 VanDerWaalsContact CE2-O 3.22Å; F120-M132 WeakPolarHBondContact CE2-O 3.25Å; F120-M132 HydrophobicContact CZ-CB 4.39Å; F120-M132 WeakPolarHBondContact CZ-O 3.48Å; Y126-M132 HydrophobicContact CD1-CB 3.41Å; Y126-M132 VanDerWaalsContact CD1-CB 3.41Å; Y126-M132 HydrophobicContact CD1-CE 4.28Å; Y126-M132 HydrophobicContact CD1-CG 3.33Å; Y126-M132 HydrophobicContact CE1-CB 3.48Å; Y126-M132 VanDerWaalsContact CE1-CB 3.48Å; Y126-M132 HydrophobicContact CE1-CE 3.7Å; Y126-M132 HydrophobicContact CE1-CG 3.64Å; Y126-M132 HydrophobicContact CG-CG 4.23Å; S128-M132 WeakPolarHBondContact O-CG 3.4Å; S128-M132 PolarHBondContact O-N 3.2Å; L129-M132 CarbonylContact O-C 3.58Å; L129-M132 PolarHBondContact O-N 2.9Å; L129-M132 VanDerWaalsContact O-N 3.13Å; Q130-M132 PolarHBondContact O-N 2.76Å
133G93.9Very high97.1Very high47 Ų4750.1 Ų50.149%0.48529%0.293SS..THydrogen-bonded Turntrans1051.9172.900000115.5L129 Q130 C135L129-G133 PolarHBondContact O-N 2.69Å; Q130-G133 PolarHBondContact O-N 2.84Å; Q130-G133 VanDerWaalsContact O-N 3.11Å; G133-C135 PolarHBondContact O-N 2.99Å
134W96.6Very high97.2Very high10 Ų1046.9 Ų46.94%0.03827%0.271CS..  trans-68.9119.8170.7-170.2-114.3000110.4L109 Y110 E111 F120 L129 Q130 S136 E138 V139L109-W134 HydrophobicContact CB-CH2 3.92Å; L109-W134 HydrophobicContact CB-CZ2 4.44Å; L109-W134 HydrophobicContact CB-CZ3 3.96Å; Y110-W134 VanDerWaalsContact C-CH2 3.49Å; E111-W134 HydrophobicContact CB-CH2 4.49Å; E111-W134 HydrophobicContact CG-CH2 3.75Å; E111-W134 HydrophobicContact CG-CZ2 4.22Å; E111-W134 HydrophobicContact CG-CZ3 4.26Å; F120-W134 HydrophobicContact CB-CE3 3.62Å; F120-W134 HydrophobicContact CB-CZ3 3.61Å; F120-W134 HydrophobicContact CD2-CE3 4.15Å; F120-W134 HydrophobicContact CG-CE3 4.17Å; L129-W134 HydrophobicContact CB-CB 3.77Å; L129-W134 HydrophobicContact CB-CG 4.19Å; L129-W134 VanDerWaalsContact O-CB 3.26Å; L129-W134 WeakPolarHBondContact O-CB 3.47Å; L129-W134 PolarHBondContact O-N 2.81Å; Q130-W134 WeakPolarHBondContact CA-O 3.4Å; W134-S136 VanDerWaalsContact C-N 3.33Å; W134-S136 PolarHBondContact O-N 2.9Å; W134-E138 PolarHBondContact NE1-O 2.97Å; W134-V139 HydrophobicContact CZ2-CG1 4.49Å; W134-V139 HydrophobicContact CZ2-CG2 3.99Å
135C93.2Very high97.3Very high91 Ų9145.8 Ų45.862%0.61527%0.266SS*.  trans-80.7-9.1-170.1-62.60000114.7G133G133-C135 PolarHBondContact O-N 2.99Å
136S95.5Very high97.2Very high45 Ų4544.3 Ų44.332%0.31526%0.259SS..  trans-116.9167.1-175.7-172.80000112Q130 W134 E138Q130-S136 PolarHBondContact NE2-O 2.93Å; W134-S136 VanDerWaalsContact C-N 3.33Å; W134-S136 PolarHBondContact O-N 2.9Å; S136-E138 PolarHBondContact OG-N 2.92Å
137K97.3Very high97.2Very high129 Ų12943.4 Ų43.456%0.56126%0.258SS*.SBendtrans-90-12163.1-64.6-174.3-177.9173.80112.3Q187 V188 Q189K137-Q187 HydrophobicContact CB-CG 4.37Å; K137-Q187 CarbonylContact O-C 3.54Å; K137-Q187 WeakPolarHBondContact O-CA 3.25Å; K137-Q187 WeakPolarHBondContact O-CG 3.49Å; K137-V188 CarbonylContact O-C 3.57Å; K137-V188 PolarHBondContact O-N 3.4Å; K137-V188 VanDerWaalsContact O-O 3.07Å; K137-Q189 HydrophobicContact CB-CG 4.28Å
138E97.9Very high97.2Very high93 Ų9340.2 Ų40.244%0.43524%0.237SC..BIsolated β-bridgetrans-106.2148.3-175.2-63.1176-159.100110W134 S136 N186W134-E138 PolarHBondContact NE1-O 2.97Å; S136-E138 PolarHBondContact OG-N 2.92Å; E138-N186 CarbonylContact C-O 3.58Å; E138-N186 WeakPolarHBondContact CA-O 3.48Å; E138-N186 WeakPolarHBondContact CG-OD1 3.26Å; E138-N186 PolarHBondContact OE2-ND2 3.32Å
139V98.3Very high97.2Very high0 Ų038.8 Ų38.80%023%0.228CC..  trans-131.797.6170.3-177.10000106.4L109 L129 W134 I142 Y179 N186 V188L109-V139 HydrophobicContact CB-CG1 3.9Å; L109-V139 HydrophobicContact CD1-CG1 4.4Å; L109-V139 HydrophobicContact CD1-CG2 4.06Å; L109-V139 HydrophobicContact CD2-CG1 4.12Å; L109-V139 HydrophobicContact CG-CG1 4.34Å; L129-V139 HydrophobicContact CD1-CG2 4.14Å; W134-V139 HydrophobicContact CZ2-CG1 4.49Å; W134-V139 HydrophobicContact CZ2-CG2 3.99Å; V139-I142 HydrophobicContact CG1-CD1 3.81Å; V139-I142 HydrophobicContact CG1-CG1 3.46Å; V139-I142 VanDerWaalsContact CG1-CG1 3.46Å; V139-Y179 WeakPolarHBondContact O-CE2 3.24Å; V139-Y179 PolarHBondContact O-OH 3.22Å; V139-N186 PolarHBondContact N-O 3.36Å; V139-V188 HydrophobicContact CB-CB 4.07Å; V139-V188 HydrophobicContact CB-CG2 4.36Å; V139-V188 HydrophobicContact CG2-CB 3.79Å; V139-V188 HydrophobicContact CG2-CG1 4.27Å
140P97.9Very high97.2Very high14 Ų1438.8 Ų38.89%0.09123%0.227CC..  trans-73.6-29.9-175.9-25.337.6000115.2Y110 E111 E113 H175 Y176 Y179Y110-P140 WeakPolarHBondContact O-CD 3.5Å; E111-P140 WeakPolarHBondContact O-CG 3.45Å; E113-P140 HydrophobicContact CG-CB 3.74Å; P140-H175 CarbonylContact O-C 3.59Å; P140-Y176 PolarHBondContact O-N 2.68Å; P140-Y179 VanDerWaalsContact C-OH 3.25Å; P140-Y179 PolarHBondContact O-OH 3.19Å
141S98.6Very high97.2Very high0 Ų036.1 Ų36.10%022%0.215CC..EExtended strand (participates in β ladder)trans-143.3148.9174.170.10000113.2Y110 C112 F115 Y173 R174 Y179Y110-S141 WeakPolarHBondContact CB-OG 3.39Å; Y110-S141 PolarHBondContact N-O 2.97Å; C112-S141 PolarHBondContact O-OG 3.09Å; F115-S141 PolarHBondContact N-OG 3.31Å; F115-S141 VanDerWaalsContact N-OG 3.13Å; S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.29Å; S141-Y173 WeakPolarHBondContact CA-O 3.43Å; S141-Y173 VanDerWaalsContact CB-O 3.24Å; S141-Y173 WeakPolarHBondContact CB-O 3.41Å; S141-R174 VanDerWaalsContact CB-O 3.23Å; S141-R174 WeakPolarHBondContact CB-O 3.48Å; S141-Y179 WeakPolarHBondContact CA-OH 3.17Å; S141-Y179 PolarHBondContact N-OH 3.11Å
142I98.7Very high97.2Very high0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-136.6136.5-175.1-62.6172.6000110V107 T108 L109 F115 V139 V144 L164 Y173 Y179V107-I142 HydrophobicContact CG2-CG2 3.29Å; T108-I142 WeakPolarHBondContact O-CA 3.45Å; L109-I142 HydrophobicContact CD2-CB 4.47Å; L109-I142 HydrophobicContact CD2-CD1 3.98Å; L109-I142 HydrophobicContact CD2-CG1 3.73Å; L109-I142 HydrophobicContact CD2-CG2 4.04Å; F115-I142 WeakPolarHBondContact CE1-O 3.49Å; V139-I142 HydrophobicContact CG1-CD1 3.81Å; V139-I142 HydrophobicContact CG1-CG1 3.46Å; V139-I142 VanDerWaalsContact CG1-CG1 3.46Å; I142-V144 HydrophobicContact CG2-CG2 4.47Å; I142-L164 HydrophobicContact CB-CD1 4.41Å; I142-L164 HydrophobicContact CD1-CD1 3.51Å; I142-L164 HydrophobicContact CG2-CD1 3.97Å; I142-Y173 PolarHBondContact N-O 3.06Å; I142-Y173 WeakPolarHBondContact O-CA 3.33Å; I142-Y173 WeakPolarHBondContact O-CB 3.4Å; I142-Y173 PolarHBondContact O-N 3.36Å; I142-Y179 HydrophobicContact CB-CE1 4.18Å; I142-Y179 HydrophobicContact CD1-CE1 3.91Å; I142-Y179 HydrophobicContact CD1-CE2 4.23Å; I142-Y179 HydrophobicContact CG1-CE1 4.03Å; I142-Y179 WeakPolarHBondContact CG1-OH 3.14Å
143K98.7Very high97.2Very high60 Ų6028.7 Ų28.726%0.26116%0.164SC..EExtended strand (participates in β ladder)trans-115.5111.6169.4-174.1161.8-179.7152.80110.7V107 T108 Y110 F115 N145 G171 E172V107-K143 CarbonylContact C-O 3.43Å; V107-K143 WeakPolarHBondContact CA-O 3.37Å; V107-K143 WeakPolarHBondContact CG2-O 3.33Å; T108-K143 PolarHBondContact N-O 2.75Å; T108-K143 PolarHBondContact O-N 3.19Å; Y110-K143 HydrophobicContact CE2-CB 3.9Å; F115-K143 HydrophobicContact CE1-CB 4.28Å; K143-N145 PolarHBondContact O-N 2.74Å; K143-N145 PolarHBondContact O-OD1 3.43Å; K143-G171 CarbonylContact C-O 3.55Å; K143-G171 VanDerWaalsContact CA-O 3.25Å; K143-G171 WeakPolarHBondContact CA-O 3.28Å; K143-E172 HydrophobicContact CD-CG 4.44Å; K143-E172 IonicContact NZ-OE1 3.77Å; K143-E172 PolarHBondContact NZ-OE1 2.95Å
144V98.6Very high97.3Very high1 Ų129.3 Ų29.31%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-79.5108.6170.3-174.40000107.9V107 I142 L164 R166 G171 Y173V107-V144 HydrophobicContact CG2-CG2 4.22Å; I142-V144 HydrophobicContact CG2-CG2 4.47Å; V144-L164 HydrophobicContact CG2-CB 3.61Å; V144-R166 HydrophobicContact CG1-CB 3.97Å; V144-R166 WeakPolarHBondContact O-CD 3.48Å; V144-G171 PolarHBondContact N-O 2.72Å; V144-Y173 HydrophobicContact CG2-CD2 4.34Å; V144-Y173 HydrophobicContact CG2-CE2 3.95Å
145N98.1Very high97.4Very high54 Ų5430.6 Ų30.629%0.28916%0.164SC..EExtended strand (participates in β ladder)trans-79.5-36.8-178.9-5797.2000111.3K106 T108 K143 R166K106-N145 HydrophobicContact CB-CB 4.02Å; K106-N145 HydrophobicContact CD-CB 4.22Å; K106-N145 HydrophobicContact CG-CB 3.98Å; K106-N145 WeakPolarHBondContact O-CA 3.38Å; K106-N145 WeakPolarHBondContact O-CB 3.33Å; K106-N145 PolarHBondContact O-N 3.41Å; T108-N145 PolarHBondContact N-OD1 3.46Å; T108-N145 PolarHBondContact OG1-OD1 3.42Å; K143-N145 PolarHBondContact O-N 2.74Å; K143-N145 PolarHBondContact O-OD1 3.43Å; N145-R166 VanDerWaalsContact O-CD 3.24Å; N145-R166 WeakPolarHBondContact O-CD 3.29Å; N145-R166 PolarHBondContact O-NE 2.93Å
146S97.6Very high97.5Very high22 Ų2228.2 Ų28.215%0.15415%0.154CC..EExtended strand (participates in β ladder)trans-160.5157.9177.557.90000111D104 K106 W149D104-S146 WeakPolarHBondContact O-CB 3.4Å; D104-S146 PolarHBondContact O-OG 2.94Å; K106-S146 WeakPolarHBondContact CB-OG 3.48Å; K106-S146 PolarHBondContact N-O 2.79Å; K106-S146 VanDerWaalsContact N-O 3.08Å; K106-S146 PolarHBondContact N-OG 2.88Å; K106-S146 PolarHBondContact O-N 3.23Å; K106-S146 VanDerWaalsContact O-N 3.1Å; S146-W149 PolarHBondContact O-NE1 3.06Å
147G96.4Very high97.5Very high7 Ų729.6 Ų29.67%0.07215%0.153CC..SBendtrans75.6-159.9-179.800000114C99 R166C99-G147 CarbonylContact O-C 3.59Å; C99-G147 VanDerWaalsContact O-CA 3.25Å; C99-G147 WeakPolarHBondContact O-CA 3.19Å; G147-R166 WeakPolarHBondContact O-CB 3.22Å; G147-R166 PolarHBondContact O-N 2.8Å
148A98Very high97.4Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-136.1143.9173.900000109.4I97 A100 L164 E165 I194I97-A148 HydrophobicContact CG2-CB 3.59Å; A100-A148 HydrophobicContact CB-CB 4.18Å; A148-L164 CarbonylContact C-O 3.58Å; A148-L164 WeakPolarHBondContact CA-O 3.38Å; A148-E165 HydrophobicContact CB-CG 4.11Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.92Å; A148-I194 PolarHBondContact O-N 2.85Å
149W98.6Very high97.1Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-130.8153.2-172.7-65.877.6000110.2V107 M122 D124 S146 L164 I191 R192 R193V107-W149 HydrophobicContact CB-CD2 3.99Å; V107-W149 HydrophobicContact CB-CG 4.21Å; V107-W149 HydrophobicContact CB-CZ2 4.05Å; V107-W149 HydrophobicContact CG1-CD2 3.56Å; V107-W149 VanDerWaalsContact CG1-CE2 3.45Å; V107-W149 HydrophobicContact CG1-CE3 3.76Å; V107-W149 HydrophobicContact CG1-CG 4.2Å; V107-W149 HydrophobicContact CG1-CH2 3.74Å; V107-W149 HydrophobicContact CG1-CZ2 3.56Å; V107-W149 HydrophobicContact CG1-CZ3 3.83Å; M122-W149 HydrophobicContact CG-CH2 4.03Å; M122-W149 HydrophobicContact CG-CZ3 4.27Å; M122-W149 HydrophobicContact SD-CZ3 4.25Å; D124-W149 WeakPolarHBondContact O-CH2 3.41Å; D124-W149 VanDerWaalsContact O-CZ3 3.23Å; D124-W149 WeakPolarHBondContact O-CZ3 3.32Å; S146-W149 PolarHBondContact O-NE1 3.06Å; W149-L164 HydrophobicContact CB-CB 4.39Å; W149-L164 PolarHBondContact N-O 3.33Å; W149-L164 PolarHBondContact O-N 2.71Å; W149-I191 HydrophobicContact CB-CD1 4.33Å; W149-I191 HydrophobicContact CB-CG1 4.41Å; W149-I191 HydrophobicContact CE3-CD1 4.16Å; W149-I191 HydrophobicContact CE3-CG1 3.93Å; W149-R192 WeakPolarHBondContact CA-O 3.4Å; W149-R192 VanDerWaalsContact CE3-C 3.43Å; W149-R193 HydrophobicContact CD2-CG 4.24Å; W149-R193 HydrophobicContact CE3-CG 3.95Å; W149-R193 HydrophobicContact CH2-CG 3.48Å; W149-R193 VanDerWaalsContact CH2-CG 3.48Å; W149-R193 HydrophobicContact CZ2-CG 3.76Å; W149-R193 HydrophobicContact CZ3-CG 3.58Å
150V97.9Very high96.9Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-120.8119.6167.953.60000109.2Y152 Q161 Y162 I163 I191 R192 I194V150-Y152 HydrophobicContact CB-CE2 4.17Å; V150-Y152 HydrophobicContact CG1-CE2 3.65Å; V150-Y152 HydrophobicContact CG2-CD2 4.25Å; V150-Y152 HydrophobicContact CG2-CE1 4.06Å; V150-Y152 HydrophobicContact CG2-CE2 3.64Å; V150-Q161 HydrophobicContact CG2-CB 4.05Å; V150-Y162 WeakPolarHBondContact CA-O 3.48Å; V150-I163 HydrophobicContact CB-CD1 3.75Å; V150-I163 HydrophobicContact CG2-CD1 3.68Å; V150-I191 WeakPolarHBondContact O-CA 3.37Å; V150-I191 WeakPolarHBondContact O-CG1 3.26Å; V150-R192 HydrophobicContact CG1-CG 3.5Å; V150-R192 VanDerWaalsContact CG1-CG 3.5Å; V150-R192 PolarHBondContact N-O 3.03Å; V150-R192 PolarHBondContact O-N 3.21Å; V150-I194 HydrophobicContact CB-CD1 4.36Å; V150-I194 HydrophobicContact CB-CG1 4.27Å; V150-I194 HydrophobicContact CG1-CG1 4.07Å
151A97.8Very high96.8Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-95.9143.5175.100000110.2Q161 Y162 L164 V188 I191A151-Q161 CarbonylContact O-C 3.51Å; A151-Q161 WeakPolarHBondContact O-CA 3.38Å; A151-Y162 PolarHBondContact N-O 2.91Å; A151-Y162 PolarHBondContact O-N 3.14Å; A151-L164 HydrophobicContact CB-CD1 4Å; A151-V188 HydrophobicContact CB-CG1 3.78Å; A151-V188 HydrophobicContact CB-CG2 4.36Å; A151-I191 HydrophobicContact CB-CD1 4.23Å; A151-I191 HydrophobicContact CB-CG1 4.12Å
152Y96.7Very high96.7Very high10 Ų1025.3 Ų25.34%0.03913%0.129CC..EExtended strand (participates in β ladder)trans-128.5142.2-176.5-62.9-92.5000111.8V150 F154 Y157 Y160 Q161 V188 Q189 S190 R192V150-Y152 HydrophobicContact CB-CE2 4.17Å; V150-Y152 HydrophobicContact CG1-CE2 3.65Å; V150-Y152 HydrophobicContact CG2-CD2 4.25Å; V150-Y152 HydrophobicContact CG2-CE1 4.06Å; V150-Y152 HydrophobicContact CG2-CE2 3.64Å; Y152-F154 VanDerWaalsContact C-N 3.31Å; Y152-F154 PolarHBondContact O-N 3.39Å; Y152-Y157 AromaticContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CG 4.23Å; Y152-Y157 AromaticContact CE2-CD1 3.76Å; Y152-Y157 HydrophobicContact CE2-CD1 3.76Å; Y152-Y157 HydrophobicContact CE2-CG 4.01Å; Y152-Y160 WeakPolarHBondContact CA-O 3.24Å; Y152-Q161 HydrophobicContact CD1-CB 4.4Å; Y152-Q161 HydrophobicContact CD1-CG 3.89Å; Y152-Q161 HydrophobicContact CE1-CB 4.25Å; Y152-Q161 HydrophobicContact CE1-CG 3.62Å; Y152-V188 WeakPolarHBondContact O-CA 3.3Å; Y152-Q189 PolarHBondContact O-N 3.41Å; Y152-S190 WeakPolarHBondContact CB-OG 3.32Å; Y152-S190 PolarHBondContact N-O 2.94Å; Y152-S190 PolarHBondContact O-N 3.08Å; Y152-R192 HydrophobicContact CE2-CG 4.08Å; Y152-R192 PolarHBondContact OH-NE 3.17Å; Y152-R192 VanDerWaalsContact OH-NE 3.16Å
153Q95.9Very high96.7Very high19 Ų1925.5 Ų25.59%0.08913%0.13CC..EExtended strand (participates in β ladder)trans-58-39.9-179.8-174.1-177.213.900113.5R158 Y160 T185 Q187 Q189Q153-R158 PolarHBondContact N-O 3.19Å; Q153-Y160 PolarHBondContact N-O 3.26Å; Q153-Y160 VanDerWaalsContact N-O 3.11Å; Q153-T185 HydrophobicContact CG-CG2 4.13Å; Q153-Q187 WeakPolarHBondContact CA-O 3.25Å; Q153-Q187 HydrophobicContact CG-CB 4.25Å; Q153-Q187 HydrophobicContact CG-CG 4.12Å; Q153-Q189 WeakPolarHBondContact O-CB 3.21Å; Q153-Q189 VanDerWaalsContact O-CG 3.25Å; Q153-Q189 WeakPolarHBondContact O-CG 3.32Å; Q153-Q189 PolarHBondContact O-OE1 3.32Å
154F96.2Very high96.7Very high60 Ų6022.6 Ų22.626%0.26312%0.117SC..EExtended strand (participates in β ladder)trans-117.8161.3-175.3-60-59.8000112.3Y152 R158 S190Y152-F154 VanDerWaalsContact C-N 3.31Å; Y152-F154 PolarHBondContact O-N 3.39Å; F154-R158 HydrophobicContact CB-CB 4.13Å; F154-R158 PolarHBondContact N-O 2.89Å; F154-S190 PolarHBondContact O-OG 2.91Å
155P96.9Very high96.6Very high38 Ų3822.7 Ų22.725%0.24712%0.117CC..THydrogen-bonded Turntrans-59.6150.5171.2-22.433.9000112.4P127 R158 Q189P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.3Å; P127-P155 WeakPolarHBondContact O-CA 3.38Å; P127-P155 WeakPolarHBondContact O-CB 3.42Å; P155-R158 PolarHBondContact O-NE 3.34Å; P155-R158 PolarHBondContact O-NH2 2.9Å; P155-Q189 HydrophobicContact CG-CB 3.94Å
156G96.4Very high96.6Very high40 Ų4025.2 Ų25.241%0.41212%0.123SC..THydrogen-bonded Turntrans74.129.9179.500000113.6P127P127-G156 PolarHBondContact O-N 3.17Å
157Y95.5Very high96.5Very high74 Ų7428.3 Ų28.329%0.2914%0.138SC..THydrogen-bonded Turntrans62.850.5174.7-42.2-51000113.6P127 Y152 S190 R192P127-Y157 HydrophobicContact CB-CE1 4.36Å; P127-Y157 HydrophobicContact CB-CE2 4.29Å; P127-Y157 WeakPolarHBondContact CD-OH 3.2Å; Y152-Y157 AromaticContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CG 4.23Å; Y152-Y157 AromaticContact CE2-CD1 3.76Å; Y152-Y157 HydrophobicContact CE2-CD1 3.76Å; Y152-Y157 HydrophobicContact CE2-CG 4.01Å; Y157-S190 WeakPolarHBondContact CA-OG 3.49Å; Y157-S190 PolarHBondContact N-OG 3.3Å; Y157-R192 HydrophobicContact CD1-CB 4.4Å; Y157-R192 HydrophobicContact CD1-CG 4.31Å; Y157-R192 HydrophobicContact CE1-CB 3.8Å; Y157-R192 HydrophobicContact CE1-CG 4.2Å
158R93.9Very high96.5Very high102 Ų10232.5 Ų32.539%0.38515%0.151SC..EExtended strand (participates in β ladder)trans-127.5162.8-175.1-62.9-179.7-64.8135.82.5112.8N83 Q153 F154 P155N83-R158 HydrophobicContact CB-CG 4.1Å; Q153-R158 PolarHBondContact N-O 3.19Å; F154-R158 HydrophobicContact CB-CB 4.13Å; F154-R158 PolarHBondContact N-O 2.89Å; P155-R158 PolarHBondContact O-NE 3.34Å; P155-R158 PolarHBondContact O-NH2 2.9Å
159G93.5Very high96.2Very high2 Ų237.9 Ų37.92%0.02118%0.176CC..EExtended strand (participates in β ladder)trans81.9-155.5-176.900000112.2N83N83-G159 PolarHBondContact O-N 3.11Å
160Y93.9Very high96.1Very high31 Ų3145 Ų4512%0.12221%0.21CC..EExtended strand (participates in β ladder)trans-58.1139.5176-65-60.7000111.9Y86 Y152 Q153 H184 T185Y86-Y160 AromaticContact CD1-CE1 3.93Å; Y86-Y160 HydrophobicContact CD1-CE1 3.93Å; Y86-Y160 AromaticContact CD2-CE1 3.81Å; Y86-Y160 HydrophobicContact CD2-CE1 3.81Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.47Å; Y86-Y160 HydrophobicContact CG-CD1 4.37Å; Y86-Y160 AromaticContact CG-CE1 3.4Å; Y86-Y160 HydrophobicContact CG-CE1 3.4Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.4Å; Y152-Y160 WeakPolarHBondContact CA-O 3.24Å; Q153-Y160 PolarHBondContact N-O 3.26Å; Q153-Y160 VanDerWaalsContact N-O 3.11Å; Y160-H184 AromaticContact CD1-ND1 3.86Å; Y160-H184 HydrophobicContact CD2-CB 3.97Å; Y160-H184 HydrophobicContact CE1-CB 4.48Å; Y160-H184 AromaticContact CE1-CE1 3.75Å; Y160-H184 AromaticContact CE1-CG 3.89Å; Y160-H184 AromaticContact CE1-ND1 3.43Å; Y160-H184 WeakPolarHBondContact CE1-ND1 3.38Å; Y160-H184 HydrophobicContact CE2-CB 3.58Å; Y160-H184 AromaticContact CE2-CG 3.83Å; Y160-H184 AromaticContact CZ-CD2 3.96Å; Y160-H184 AromaticContact CZ-CG 3.53Å; Y160-H184 AromaticContact CZ-ND1 3.61Å; Y160-T185 HydrophobicContact CD2-CG2 4.37Å
161Q95.1Very high96.1Very high11 Ų1145 Ų455%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-106139.1174.9-40.6-176.818.400109.9Q65 W80 V150 A151 Y152Q65-Q161 PolarHBondContact NE2-O 3.41Å; W80-Q161 PolarHBondContact O-NE2 3.19Å; W80-Q161 VanDerWaalsContact O-NE2 3.13Å; V150-Q161 HydrophobicContact CG2-CB 4.05Å; A151-Q161 CarbonylContact O-C 3.51Å; A151-Q161 WeakPolarHBondContact O-CA 3.38Å; Y152-Q161 HydrophobicContact CD1-CB 4.4Å; Y152-Q161 HydrophobicContact CD1-CG 3.89Å; Y152-Q161 HydrophobicContact CE1-CB 4.25Å; Y152-Q161 HydrophobicContact CE1-CG 3.62Å
162Y96.9Very high96.1Very high0 Ų047.2 Ų47.20%022%0.22CC..EExtended strand (participates in β ladder)trans-128.6120.2174.2-53.6-61000109.6V150 A151 Y179 A183 T185V150-Y162 WeakPolarHBondContact CA-O 3.48Å; A151-Y162 PolarHBondContact N-O 2.91Å; A151-Y162 PolarHBondContact O-N 3.14Å; Y162-Y179 HydrophobicContact CD2-CD2 4.37Å; Y162-A183 HydrophobicContact CE1-CB 4.3Å; Y162-T185 PolarHBondContact OH-O 3.02Å
163I97.8Very high96.2Very high4 Ų446.9 Ų46.92%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-89.1122.4178.4-51.9-53.4000109.1V55 Q66 I68 I97 V150 E165 I194V55-I163 HydrophobicContact CB-CG1 4.13Å; V55-I163 HydrophobicContact CG2-CB 4.45Å; V55-I163 HydrophobicContact CG2-CG1 3.64Å; Q66-I163 HydrophobicContact CB-CG1 4.22Å; Q66-I163 VanDerWaalsContact OE1-CG1 3.32Å; Q66-I163 VanDerWaalsContact OE1-N 3.08Å; I68-I163 HydrophobicContact CB-CD1 3.92Å; I68-I163 HydrophobicContact CD1-CD1 4.11Å; I68-I163 HydrophobicContact CG1-CD1 4.42Å; I97-I163 HydrophobicContact CD1-CG2 3.86Å; V150-I163 HydrophobicContact CB-CD1 3.75Å; V150-I163 HydrophobicContact CG2-CD1 3.68Å; I163-E165 HydrophobicContact CG2-CG 4.1Å; I163-I194 HydrophobicContact CD1-CD1 4.26Å; I163-I194 HydrophobicContact CG2-CD1 3.92Å
164L98.4Very high96.3Very high0 Ų050.3 Ų50.30%023%0.231CC..EExtended strand (participates in β ladder)trans-117.3115.6-175.6-53.8171.8000108.2I142 V144 A148 W149 A151 Y173 Y179 I191I142-L164 HydrophobicContact CB-CD1 4.41Å; I142-L164 HydrophobicContact CD1-CD1 3.51Å; I142-L164 HydrophobicContact CG2-CD1 3.97Å; V144-L164 HydrophobicContact CG2-CB 3.61Å; A148-L164 CarbonylContact C-O 3.58Å; A148-L164 WeakPolarHBondContact CA-O 3.38Å; W149-L164 HydrophobicContact CB-CB 4.39Å; W149-L164 PolarHBondContact N-O 3.33Å; W149-L164 PolarHBondContact O-N 2.71Å; A151-L164 HydrophobicContact CB-CD1 4Å; L164-Y173 WeakPolarHBondContact CA-OH 3.46Å; L164-Y173 HydrophobicContact CB-CE2 4.03Å; L164-Y173 HydrophobicContact CD2-CD1 3.99Å; L164-Y173 HydrophobicContact CD2-CD2 4.05Å; L164-Y173 HydrophobicContact CD2-CE1 3.88Å; L164-Y173 HydrophobicContact CD2-CE2 3.96Å; L164-Y173 HydrophobicContact CD2-CG 4.06Å; L164-Y179 HydrophobicContact CD2-CD1 3.88Å; L164-Y179 HydrophobicContact CD2-CG 4.26Å; L164-I191 HydrophobicContact CD1-CD1 4.46Å
165E97.9Very high96.4Very high2 Ų249.9 Ų49.91%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-119.3137.5-169.4-81.1170.9-76.500110.9R95 I97 A148 I163 D167 R168 Y173R95-E165 IonicContact CZ-OE1 3.78Å; R95-E165 IonicContact CZ-OE2 3.72Å; R95-E165 VanDerWaalsContact NH1-CD 3.29Å; R95-E165 IonicContact NH1-OE1 3.58Å; R95-E165 PolarHBondContact NH1-OE1 2.9Å; R95-E165 IonicContact NH1-OE2 3.99Å; R95-E165 PolarHBondContact NH1-OE2 3.11Å; R95-E165 IonicContact NH2-OE1 3.55Å; R95-E165 PolarHBondContact NH2-OE1 3.47Å; I97-E165 HydrophobicContact CG2-CG 3.96Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.46Å; A148-E165 HydrophobicContact CB-CG 4.11Å; I163-E165 HydrophobicContact CG2-CG 4.1Å; E165-D167 VanDerWaalsContact C-N 3.3Å; E165-D167 WeakPolarHBondContact CB-OD1 3.24Å; E165-D167 PolarHBondContact O-N 2.6Å; E165-R168 HydrophobicContact CB-CB 4.06Å; E165-R168 HydrophobicContact CB-CG 4.06Å; E165-R168 PolarHBondContact O-N 3.35Å; E165-R168 VanDerWaalsContact O-O 3.05Å; E165-R168 VanDerWaalsContact OE1-CD 3.3Å; E165-R168 WeakPolarHBondContact OE1-CD 3.32Å; E165-R168 IonicContact OE1-NE 3.97Å; E165-Y173 PolarHBondContact N-OH 3.29Å
166R97.7Very high96.4Very high108 Ų10852 Ų5241%0.40823%0.233SC..THydrogen-bonded Turntrans-63.7-34.8176.6175.657.2-176.287.5-3.8113.1V144 N145 G147 Q170 G171V144-R166 HydrophobicContact CG1-CB 3.97Å; V144-R166 WeakPolarHBondContact O-CD 3.48Å; N145-R166 VanDerWaalsContact O-CD 3.24Å; N145-R166 WeakPolarHBondContact O-CD 3.29Å; N145-R166 PolarHBondContact O-NE 2.93Å; G147-R166 WeakPolarHBondContact O-CB 3.22Å; G147-R166 PolarHBondContact O-N 2.8Å; R166-Q170 PolarHBondContact NH1-O 3.2Å; R166-Q170 VanDerWaalsContact NH1-O 3.09Å; R166-Q170 CarbonylContact O-C 3.59Å; R166-G171 PolarHBondContact O-N 3.15Å; R166-G171 VanDerWaalsContact O-N 3.1Å
167D96Very high96.3Very high87 Ų8754.8 Ų54.847%0.46524%0.239SC..THydrogen-bonded Turntrans-86-6.7-176.563.3-7.9000113.4C99 E165C99-D167 HydrophobicContact CB-CB 4.13Å; C99-D167 VanDerWaalsContact SG-CG 3.58Å; C99-D167 PolarHBondContact SG-OD1 3.43Å; E165-D167 VanDerWaalsContact C-N 3.3Å; E165-D167 WeakPolarHBondContact CB-OD1 3.24Å; E165-D167 PolarHBondContact O-N 2.6Å
168R95Very high96.4Very high94 Ų9454 Ų5436%0.35524%0.237SC..SBendtrans-104.3141.4171.3-65.1-159.8166.7-125.6-7.5111.1R95 E165 Q170 G171R95-R168 VanDerWaalsContact NE-NH2 3.13Å; R95-R168 VanDerWaalsContact NH2-NE 3.17Å; E165-R168 HydrophobicContact CB-CB 4.06Å; E165-R168 HydrophobicContact CB-CG 4.06Å; E165-R168 PolarHBondContact O-N 3.35Å; E165-R168 VanDerWaalsContact O-O 3.05Å; E165-R168 VanDerWaalsContact OE1-CD 3.3Å; E165-R168 WeakPolarHBondContact OE1-CD 3.32Å; E165-R168 IonicContact OE1-NE 3.97Å; R168-Q170 PolarHBondContact O-N 3.29Å; R168-G171 PolarHBondContact O-N 3.13Å
169H92.8Very high96.5Very high113 Ų11349.2 Ų49.252%0.52322%0.219SC..G310 helixtrans51.123-174.9-56.7-89.5000113.5G171 E172 Y173H169-G171 PolarHBondContact O-N 2.66Å; H169-G171 VanDerWaalsContact O-N 3.16Å; H169-E172 WeakPolarHBondContact CB-O 3.17Å; H169-E172 WeakPolarHBondContact O-CB 3.33Å; H169-E172 PolarHBondContact O-N 3.1Å; H169-Y173 AromaticContact CD2-CE1 3.89Å
170Q95.8Very high96.5Very high151 Ų15149.7 Ų49.771%0.70622%0.222SC*.G310 helixtrans56.324-170.9-47.9179.226.700113.9R166 R168 E172R166-Q170 PolarHBondContact NH1-O 3.2Å; R166-Q170 VanDerWaalsContact NH1-O 3.09Å; R166-Q170 CarbonylContact O-C 3.59Å; R168-Q170 PolarHBondContact O-N 3.29Å; Q170-E172 VanDerWaalsContact C-N 3.26Å
171G97.8Very high96.4Very high0 Ų052 Ų520%024%0.239CC..G310 helixtrans74.212.3-173.600000113.6K143 V144 R166 R168 H169K143-G171 CarbonylContact C-O 3.55Å; K143-G171 VanDerWaalsContact CA-O 3.25Å; K143-G171 WeakPolarHBondContact CA-O 3.28Å; V144-G171 PolarHBondContact N-O 2.72Å; R166-G171 PolarHBondContact O-N 3.15Å; R166-G171 VanDerWaalsContact O-N 3.1Å; R168-G171 PolarHBondContact O-N 3.13Å; H169-G171 PolarHBondContact O-N 2.66Å; H169-G171 VanDerWaalsContact O-N 3.16Å
172E98.5Very high96.1Very high45 Ų4555 Ų5521%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-109.6108.6-175.3-64.6-163.1162.100110.7F115 K143 H169 Q170 R174F115-E172 HydrophobicContact CE2-CB 4.01Å; F115-E172 HydrophobicContact CE2-CG 4.15Å; F115-E172 HydrophobicContact CZ-CB 3.67Å; F115-E172 HydrophobicContact CZ-CG 4.14Å; K143-E172 HydrophobicContact CD-CG 4.44Å; K143-E172 IonicContact NZ-OE1 3.77Å; K143-E172 PolarHBondContact NZ-OE1 2.95Å; H169-E172 WeakPolarHBondContact CB-O 3.17Å; H169-E172 WeakPolarHBondContact O-CB 3.33Å; H169-E172 PolarHBondContact O-N 3.1Å; Q170-E172 VanDerWaalsContact C-N 3.26Å; E172-R174 IonicContact OE2-CZ 3.77Å; E172-R174 IonicContact OE2-NE 3.68Å; E172-R174 IonicContact OE2-NH2 3.44Å; E172-R174 PolarHBondContact OE2-NH2 2.77Å
173Y98.4Very high95.8Very high4 Ų455.9 Ų55.92%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-112.491.8176-59.9-94000108.7F115 S141 I142 V144 L164 E165 H169 E178 Y179F115-Y173 WeakPolarHBondContact CE1-O 3.49Å; S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.29Å; S141-Y173 WeakPolarHBondContact CA-O 3.43Å; S141-Y173 VanDerWaalsContact CB-O 3.24Å; S141-Y173 WeakPolarHBondContact CB-O 3.41Å; I142-Y173 PolarHBondContact N-O 3.06Å; I142-Y173 WeakPolarHBondContact O-CA 3.33Å; I142-Y173 WeakPolarHBondContact O-CB 3.4Å; I142-Y173 PolarHBondContact O-N 3.36Å; V144-Y173 HydrophobicContact CG2-CD2 4.34Å; V144-Y173 HydrophobicContact CG2-CE2 3.95Å; L164-Y173 WeakPolarHBondContact CA-OH 3.46Å; L164-Y173 HydrophobicContact CB-CE2 4.03Å; L164-Y173 HydrophobicContact CD2-CD1 3.99Å; L164-Y173 HydrophobicContact CD2-CD2 4.05Å; L164-Y173 HydrophobicContact CD2-CE1 3.88Å; L164-Y173 HydrophobicContact CD2-CE2 3.96Å; L164-Y173 HydrophobicContact CD2-CG 4.06Å; E165-Y173 PolarHBondContact N-OH 3.29Å; H169-Y173 AromaticContact CD2-CE1 3.89Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.4Å; Y173-E178 HydrophobicContact CD1-CB 4.06Å; Y173-E178 VanDerWaalsContact CD1-O 3.28Å; Y173-E178 WeakPolarHBondContact CD1-O 3.43Å; Y173-E178 WeakPolarHBondContact CE1-O 3.2Å; Y173-Y179 HydrophobicContact CD1-CD1 4.06Å; Y173-Y179 HydrophobicContact CG-CD1 4.14Å; Y173-Y179 HydrophobicContact CG-CE1 4.42Å
174R98.4Very high95.3Very high91 Ų9159.4 Ų59.434%0.34328%0.277SS..  trans-78.8-25.9-168.8-69.3172.1179.4-85.6-6.3113.3E113 D114 F115 S141 E172 E178E113-R174 WeakPolarHBondContact CA-O 3.29Å; D114-R174 PolarHBondContact N-O 2.72Å; D114-R174 IonicContact OD1-NH1 2.98Å; F115-R174 HydrophobicContact CD2-CG 4.45Å; F115-R174 HydrophobicContact CE1-CG 4.28Å; F115-R174 HydrophobicContact CE2-CG 3.61Å; F115-R174 HydrophobicContact CZ-CB 4.41Å; F115-R174 HydrophobicContact CZ-CG 3.49Å; F115-R174 VanDerWaalsContact CZ-CG 3.49Å; S141-R174 VanDerWaalsContact CB-O 3.23Å; S141-R174 WeakPolarHBondContact CB-O 3.48Å; E172-R174 IonicContact OE2-CZ 3.77Å; E172-R174 IonicContact OE2-NE 3.68Å; E172-R174 IonicContact OE2-NH2 3.44Å; E172-R174 PolarHBondContact OE2-NH2 2.77Å; R174-E178 PolarHBondContact N-OE2 2.94Å
175H97.8Very high95Very high50 Ų5060.9 Ų60.923%0.23129%0.286CS..SBendtrans-134.6152177.5-54.6-80.5000109.2E113 D114 P140 N177 E178E113-H175 VanDerWaalsContact CD-ND1 3.26Å; E113-H175 IonicContact OE1-ND1 2.85Å; E113-H175 IonicContact OE2-CE1 3.65Å; E113-H175 PolarHBondContact OE2-CE1 3.22Å; E113-H175 IonicContact OE2-ND1 2.97Å; E113-H175 PolarHBondContact OE2-ND1 3.2Å; D114-H175 IonicContact OD1-NE2 3.77Å; D114-H175 IonicContact OD2-CE1 2.92Å; D114-H175 IonicContact OD2-NE2 2.81Å; P140-H175 CarbonylContact O-C 3.59Å; H175-N177 WeakPolarHBondContact CB-OD1 3.41Å; H175-N177 PolarHBondContact O-N 2.98Å; H175-E178 HydrophobicContact CB-CG 4.5Å; H175-E178 IonicContact CD2-OE1 2.63Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.18Å
176Y96Very high94.9Very high84 Ų8462.2 Ų62.233%0.32929%0.293SS..G310 helixtrans-63.6-25.9-176.981.3-86.2000113.6P140 E178 Y179 A183 N186P140-Y176 PolarHBondContact O-N 2.68Å; Y176-E178 PolarHBondContact O-N 3.26Å; Y176-Y179 VanDerWaalsContact O-CB 3.26Å; Y176-Y179 WeakPolarHBondContact O-CB 3.23Å; Y176-Y179 WeakPolarHBondContact O-CD2 3.42Å; Y176-Y179 VanDerWaalsContact O-CG 3.22Å; Y176-Y179 PolarHBondContact O-N 3.43Å; Y176-Y179 VanDerWaalsContact O-N 3.09Å; Y176-A183 HydrophobicContact CD2-CB 4.09Å; Y176-A183 HydrophobicContact CE2-CB 4.44Å; Y176-A183 WeakPolarHBondContact O-CB 3.26Å; Y176-N186 VanDerWaalsContact CB-CB 3.46Å; Y176-N186 HydrophobicContact CD1-CB 4.06Å; Y176-N186 HydrophobicContact CD2-CB 4.19Å; Y176-N186 HydrophobicContact CG-CB 3.64Å
177N95.8Very high94.9Very high98 Ų9859 Ų5952%0.52428%0.283SS..G310 helixtrans-68.9-8.9175.666.1-8.3000113.2H175H175-N177 WeakPolarHBondContact CB-OD1 3.41Å; H175-N177 PolarHBondContact O-N 2.98Å
178E96.8Very high95Very high56 Ų5654.8 Ų54.826%0.26226%0.261SS..G310 helixtrans-86.3-14.1172.2-59177.6-178.300112.1Y173 R174 H175 Y176 S180Y173-E178 WeakPolarHBondContact CA-OE2 3.4Å; Y173-E178 HydrophobicContact CD1-CB 4.06Å; Y173-E178 VanDerWaalsContact CD1-O 3.28Å; Y173-E178 WeakPolarHBondContact CD1-O 3.43Å; Y173-E178 WeakPolarHBondContact CE1-O 3.2Å; R174-E178 PolarHBondContact N-OE2 2.94Å; H175-E178 HydrophobicContact CB-CG 4.5Å; H175-E178 IonicContact CD2-OE1 2.63Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.18Å; Y176-E178 PolarHBondContact O-N 3.26Å; E178-S180 PolarHBondContact O-N 3.15Å
179Y96.1Very high95.1Very high3 Ų351.2 Ų51.21%0.01225%0.248CC..SBendtrans-64.4-28.4178.8-61.9-13.6000112.8Q66 V139 P140 S141 I142 Y162 L164 Y173 Y176 V188Q66-Y179 PolarHBondContact NE2-O 2.87Å; V139-Y179 WeakPolarHBondContact O-CE2 3.24Å; V139-Y179 PolarHBondContact O-OH 3.22Å; P140-Y179 VanDerWaalsContact C-OH 3.25Å; P140-Y179 PolarHBondContact O-OH 3.19Å; S141-Y179 WeakPolarHBondContact CA-OH 3.17Å; S141-Y179 PolarHBondContact N-OH 3.11Å; I142-Y179 HydrophobicContact CB-CE1 4.18Å; I142-Y179 HydrophobicContact CD1-CE1 3.91Å; I142-Y179 HydrophobicContact CD1-CE2 4.23Å; I142-Y179 HydrophobicContact CG1-CE1 4.03Å; I142-Y179 WeakPolarHBondContact CG1-OH 3.14Å; Y162-Y179 HydrophobicContact CD2-CD2 4.37Å; L164-Y179 HydrophobicContact CD2-CD1 3.88Å; L164-Y179 HydrophobicContact CD2-CG 4.26Å; Y173-Y179 HydrophobicContact CD1-CD1 4.06Å; Y173-Y179 HydrophobicContact CG-CD1 4.14Å; Y173-Y179 HydrophobicContact CG-CE1 4.42Å; Y176-Y179 VanDerWaalsContact O-CB 3.26Å; Y176-Y179 WeakPolarHBondContact O-CB 3.23Å; Y176-Y179 WeakPolarHBondContact O-CD2 3.42Å; Y176-Y179 VanDerWaalsContact O-CG 3.22Å; Y176-Y179 PolarHBondContact O-N 3.43Å; Y176-Y179 VanDerWaalsContact O-N 3.09Å; Y179-V188 HydrophobicContact CE2-CG2 4.42Å
180S93.6Very high95.4Very high11 Ų1145.8 Ų45.88%0.07722%0.223CC..  trans-161.4156.4177.7-167.90000109.4G64 Q66 E178 Q182 A183G64-S180 PolarHBondContact O-OG 3.18Å; G64-S180 VanDerWaalsContact O-OG 3.06Å; Q66-S180 PolarHBondContact NE2-OG 2.92Å; E178-S180 PolarHBondContact O-N 3.15Å; S180-Q182 PolarHBondContact O-N 3.3Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; S180-A183 PolarHBondContact O-N 3Å
181T92.3Very high95.5Very high79 Ų7938.6 Ų38.649%0.48519%0.189SC..THydrogen-bonded Turntrans-64.7-19173700000113.3Q63 G64Q63-T181 WeakPolarHBondContact CA-OG1 3.43Å; Q63-T181 PolarHBondContact OE1-OG1 3.13Å; G64-T181 PolarHBondContact N-OG1 3.08Å
182Q89Confident95.5Very high74 Ų7440.1 Ų40.135%0.34620%0.195SC..THydrogen-bonded Turntrans-129.963.2168.4-64.3-175.6-500110.3S180 H184S180-Q182 PolarHBondContact O-N 3.3Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-H184 PolarHBondContact O-CE1 2.96Å; Q182-H184 PolarHBondContact O-N 3.19Å; Q182-H184 PolarHBondContact O-ND1 3.03Å; Q182-H184 VanDerWaalsContact O-ND1 3.11Å
183A89.9Confident95.5Very high19 Ų1939.6 Ų39.616%0.15719%0.191CC..  trans-72.1110.4171.500000110.1Y162 Y176 S180Y162-A183 HydrophobicContact CE1-CB 4.3Å; Y176-A183 HydrophobicContact CD2-CB 4.09Å; Y176-A183 HydrophobicContact CE2-CB 4.44Å; Y176-A183 WeakPolarHBondContact O-CB 3.26Å; S180-A183 PolarHBondContact O-N 3Å
184H87.4Confident95.5Very high79 Ų7939.4 Ų39.437%0.36619%0.19SC..  trans-75.3-25.7-177.3-64.591.1000113.9Y160 Q182Y160-H184 AromaticContact CD1-ND1 3.86Å; Y160-H184 HydrophobicContact CD2-CB 3.97Å; Y160-H184 HydrophobicContact CE1-CB 4.48Å; Y160-H184 AromaticContact CE1-CE1 3.75Å; Y160-H184 AromaticContact CE1-CG 3.89Å; Y160-H184 AromaticContact CE1-ND1 3.43Å; Y160-H184 WeakPolarHBondContact CE1-ND1 3.38Å; Y160-H184 HydrophobicContact CE2-CB 3.58Å; Y160-H184 AromaticContact CE2-CG 3.83Å; Y160-H184 AromaticContact CZ-CD2 3.96Å; Y160-H184 AromaticContact CZ-CG 3.53Å; Y160-H184 AromaticContact CZ-ND1 3.61Å; Q182-H184 PolarHBondContact O-CE1 2.96Å; Q182-H184 PolarHBondContact O-N 3.19Å; Q182-H184 PolarHBondContact O-ND1 3.03Å; Q182-H184 VanDerWaalsContact O-ND1 3.11Å
185T93.1Very high95.1Very high30 Ų3040.3 Ų40.318%0.18420%0.198CC..  trans-161.1153.3-174-177.70000111.1Q153 Y160 Y162 Q187Q153-T185 HydrophobicContact CG-CG2 4.13Å; Y160-T185 HydrophobicContact CD2-CG2 4.37Å; Y162-T185 PolarHBondContact OH-O 3.02Å; T185-Q187 VanDerWaalsContact C-N 3.28Å; T185-Q187 HydrophobicContact CG2-CB 3.92Å; T185-Q187 VanDerWaalsContact OG1-CB 3.26Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.45Å; T185-Q187 PolarHBondContact OG1-N 2.85Å
186N95.4Very high94.2Very high30 Ų3044.4 Ų44.416%0.1622%0.217CC..SBendtrans-85.91.5166.268-17.6000112.4E138 V139 Y176 V188E138-N186 CarbonylContact C-O 3.58Å; E138-N186 WeakPolarHBondContact CA-O 3.48Å; E138-N186 WeakPolarHBondContact CG-OD1 3.26Å; E138-N186 PolarHBondContact OE2-ND2 3.32Å; V139-N186 PolarHBondContact N-O 3.36Å; Y176-N186 VanDerWaalsContact CB-CB 3.46Å; Y176-N186 HydrophobicContact CD1-CB 4.06Å; Y176-N186 HydrophobicContact CD2-CB 4.19Å; Y176-N186 HydrophobicContact CG-CB 3.64Å; N186-V188 PolarHBondContact O-N 2.92Å
187Q97.3Very high94.1Very high40 Ų4042.5 Ų42.519%0.18721%0.212CC..BIsolated β-bridgetrans-66.4114.9174.9-175.6-176.50.700109.5K137 Q153 T185 Q189K137-Q187 HydrophobicContact CB-CG 4.37Å; K137-Q187 CarbonylContact O-C 3.54Å; K137-Q187 WeakPolarHBondContact O-CA 3.25Å; K137-Q187 WeakPolarHBondContact O-CG 3.49Å; Q153-Q187 WeakPolarHBondContact CA-O 3.25Å; Q153-Q187 HydrophobicContact CG-CB 4.25Å; Q153-Q187 HydrophobicContact CG-CG 4.12Å; T185-Q187 VanDerWaalsContact C-N 3.28Å; T185-Q187 HydrophobicContact CG2-CB 3.92Å; T185-Q187 VanDerWaalsContact OG1-CB 3.26Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.45Å; T185-Q187 PolarHBondContact OG1-N 2.85Å; Q187-Q189 HydrophobicContact CG-CG 4.23Å
188V97.7Very high94Very high0 Ų039.5 Ų39.50%020%0.195CC..  trans-135.7121.8176.3177.20000107.3L129 K137 V139 A151 Y152 Y179 N186L129-V188 HydrophobicContact CD1-CG1 3.95Å; L129-V188 WeakPolarHBondContact CD1-O 3.38Å; K137-V188 CarbonylContact O-C 3.57Å; K137-V188 PolarHBondContact O-N 3.4Å; K137-V188 VanDerWaalsContact O-O 3.07Å; V139-V188 HydrophobicContact CB-CB 4.07Å; V139-V188 HydrophobicContact CB-CG2 4.36Å; V139-V188 HydrophobicContact CG2-CB 3.79Å; V139-V188 HydrophobicContact CG2-CG1 4.27Å; A151-V188 HydrophobicContact CB-CG1 3.78Å; A151-V188 HydrophobicContact CB-CG2 4.36Å; Y152-V188 WeakPolarHBondContact O-CA 3.3Å; Y179-V188 HydrophobicContact CE2-CG2 4.42Å; N186-V188 PolarHBondContact O-N 2.92Å
189Q98.1Very high93.9Very high18 Ų1838.6 Ų38.68%0.08419%0.192CC..  trans-128-11.2-174.4-60.8-166.4-95.200114S128 L129 K137 Y152 Q153 P155 Q187S128-Q189 WeakPolarHBondContact CA-O 3.42Å; L129-Q189 PolarHBondContact N-O 2.74Å; K137-Q189 HydrophobicContact CB-CG 4.28Å; Y152-Q189 PolarHBondContact O-N 3.41Å; Q153-Q189 WeakPolarHBondContact O-CB 3.21Å; Q153-Q189 VanDerWaalsContact O-CG 3.25Å; Q153-Q189 WeakPolarHBondContact O-CG 3.32Å; Q153-Q189 PolarHBondContact O-OE1 3.32Å; P155-Q189 HydrophobicContact CG-CB 3.94Å; Q187-Q189 HydrophobicContact CG-CG 4.23Å
190S98.1Very high93.8Very high0 Ų040.7 Ų40.70%020%0.202CC..EExtended strand (participates in β ladder)trans-143.6153.2164.760.10000110.4Y126 P127 Y152 F154 Y157Y126-S190 VanDerWaalsContact O-CA 3.24Å; Y126-S190 WeakPolarHBondContact O-CA 3.35Å; Y126-S190 WeakPolarHBondContact O-CB 3.36Å; P127-S190 WeakPolarHBondContact O-CB 3.43Å; Y152-S190 WeakPolarHBondContact CB-OG 3.32Å; Y152-S190 PolarHBondContact N-O 2.94Å; Y152-S190 PolarHBondContact O-N 3.08Å; F154-S190 PolarHBondContact O-OG 2.91Å; Y157-S190 WeakPolarHBondContact CA-OG 3.49Å; Y157-S190 PolarHBondContact N-OG 3.3Å
191I98.4Very high93.8Very high0 Ų042.6 Ų42.60%021%0.21CC..EExtended strand (participates in β ladder)trans-151.6142.6-178.5-169.7175.5000108.2V107 L109 M122 Y126 L129 W149 V150 A151 L164V107-I191 HydrophobicContact CG1-CD1 4.17Å; L109-I191 HydrophobicContact CD2-CD1 4.22Å; M122-I191 HydrophobicContact CE-CG2 4.16Å; M122-I191 HydrophobicContact SD-CD1 4.37Å; M122-I191 HydrophobicContact SD-CG2 3.35Å; M122-I191 WeakPolarHBondContact SD-CG2 3.41Å; Y126-I191 PolarHBondContact N-O 3.02Å; Y126-I191 PolarHBondContact O-N 3.43Å; L129-I191 HydrophobicContact CD2-CG2 3.74Å; L129-I191 HydrophobicContact CG-CG2 4.41Å; W149-I191 HydrophobicContact CB-CD1 4.33Å; W149-I191 HydrophobicContact CB-CG1 4.41Å; W149-I191 HydrophobicContact CE3-CD1 4.16Å; W149-I191 HydrophobicContact CE3-CG1 3.93Å; V150-I191 WeakPolarHBondContact O-CA 3.37Å; V150-I191 WeakPolarHBondContact O-CG1 3.26Å; A151-I191 HydrophobicContact CB-CD1 4.23Å; A151-I191 HydrophobicContact CB-CG1 4.12Å; L164-I191 HydrophobicContact CD1-CD1 4.46Å
192R98.3Very high93.9Very high32 Ų3240.1 Ų40.112%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-143.1159.2177.766.3179.5-172.587.4-13.3111E70 D125 W149 V150 Y152 Y157E70-R192 IonicContact OE1-CZ 3.58Å; E70-R192 IonicContact OE1-NH1 3.79Å; E70-R192 PolarHBondContact OE1-NH1 3.37Å; E70-R192 IonicContact OE1-NH2 2.72Å; E70-R192 IonicContact OE2-CZ 3.58Å; E70-R192 IonicContact OE2-NH1 2.88Å; E70-R192 PolarHBondContact OE2-NH1 3.45Å; E70-R192 IonicContact OE2-NH2 3.19Å; E70-R192 PolarHBondContact OE2-NH2 2.87Å; D125-R192 HydrophobicContact CB-CB 3.84Å; D125-R192 WeakPolarHBondContact OD1-CB 3.47Å; W149-R192 WeakPolarHBondContact CA-O 3.4Å; W149-R192 VanDerWaalsContact CE3-C 3.43Å; V150-R192 HydrophobicContact CG1-CG 3.5Å; V150-R192 VanDerWaalsContact CG1-CG 3.5Å; V150-R192 PolarHBondContact N-O 3.03Å; V150-R192 PolarHBondContact O-N 3.21Å; Y152-R192 HydrophobicContact CE2-CG 4.08Å; Y152-R192 PolarHBondContact OH-NE 3.17Å; Y152-R192 VanDerWaalsContact OH-NE 3.16Å; Y157-R192 HydrophobicContact CD1-CB 4.4Å; Y157-R192 HydrophobicContact CD1-CG 4.31Å; Y157-R192 HydrophobicContact CE1-CB 3.8Å; Y157-R192 HydrophobicContact CE1-CG 4.2Å
193R98.3Very high94.2Very high34 Ų3437.7 Ų37.713%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-70146.8171.3-57.7168.1-69.5-167.94.8109.2H102 C123 D124 D125 W149H102-R193 PolarHBondContact CE1-NE 3.28Å; C123-R193 WeakPolarHBondContact O-CD 3.32Å; C123-R193 PolarHBondContact O-NH1 2.86Å; D124-R193 IonicContact OD1-CZ 3.32Å; D124-R193 IonicContact OD1-NH1 3.92Å; D124-R193 PolarHBondContact OD1-NH1 3.46Å; D124-R193 IonicContact OD1-NH2 3.64Å; D124-R193 PolarHBondContact OD1-NH2 2.85Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.07Å; D125-R193 IonicContact OD1-CZ 3.86Å; D125-R193 PolarHBondContact OD1-N 2.89Å; D125-R193 IonicContact OD1-NE 2.63Å; D125-R193 PolarHBondContact OD1-NE 2.98Å; D125-R193 IonicContact OD1-NH2 2.75Å; D125-R193 IonicContact OD2-CZ 2.77Å; D125-R193 IonicContact OD2-NE 2.88Å; D125-R193 IonicContact OD2-NH2 3.58Å; D125-R193 PolarHBondContact OD2-NH2 2.63Å; W149-R193 HydrophobicContact CD2-CG 4.24Å; W149-R193 HydrophobicContact CE3-CG 3.95Å; W149-R193 HydrophobicContact CH2-CG 3.48Å; W149-R193 VanDerWaalsContact CH2-CG 3.48Å; W149-R193 HydrophobicContact CZ2-CG 3.76Å; W149-R193 HydrophobicContact CZ3-CG 3.58Å
194I97.4Very high94.5Very high0 Ų039.2 Ų39.20%018%0.183CC..PPolyproline II helixtrans-86.8134173.5-66.7172.5000109.1P53 I68 E70 I97 A100 A148 V150 I163P53-I194 HydrophobicContact CB-CG2 3.56Å; P53-I194 HydrophobicContact CG-CG2 3.4Å; P53-I194 VanDerWaalsContact CG-CG2 3.4Å; I68-I194 HydrophobicContact CD1-CD1 3.69Å; I68-I194 HydrophobicContact CD1-CG1 3.95Å; I68-I194 HydrophobicContact CD1-CG2 3.84Å; I68-I194 HydrophobicContact CG1-CD1 4.46Å; I68-I194 HydrophobicContact CG1-CG1 4.33Å; E70-I194 HydrophobicContact CG-CG2 4.43Å; I97-I194 HydrophobicContact CD1-CD1 3.9Å; A100-I194 HydrophobicContact CB-CG2 4.1Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.92Å; A148-I194 PolarHBondContact O-N 2.85Å; V150-I194 HydrophobicContact CB-CD1 4.36Å; V150-I194 HydrophobicContact CB-CG1 4.27Å; V150-I194 HydrophobicContact CG1-CG1 4.07Å; I163-I194 HydrophobicContact CD1-CD1 4.26Å; I163-I194 HydrophobicContact CG2-CD1 3.92Å
195Q90.6Very high95.1Very high109 Ų10935.8 Ų35.851%0.50917%0.167SC..PPolyproline II helixtrans-84.6137.4176.6-61.9-175.5-2.200110.7P53 E70P53-Q195 WeakPolarHBondContact CB-O 3.5Å; P53-Q195 VanDerWaalsContact CG-O 3.28Å; P53-Q195 WeakPolarHBondContact CG-O 3.46Å; E70-Q195 HydrophobicContact CG-CB 4.45Å; E70-Q195 PolarHBondContact OE1-N 2.92Å
196H79.1Confident95.3Very high137 Ų13736.4 Ų36.463%0.63417%0.166SC*.  trans-105.20175.262.7-75.3000110.8A100 H102A100-H196 HydrophobicContact CB-CB 4.31Å; H102-H196 PolarHBondContact N-ND1 3.31Å

Retrieved 196 of 196 residues in 599.7 ms (Link to these results)

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