A0A087X968_POEFO Loading...

Regulator of calcineurin 3

Inhibits calcineurin-dependent transcriptional responses by binding to the catalytic domain of calcineurin A. Could play a role during central nervous system development.

AlphaFold DB (M3ZZS0), UniProt , Accession A0A087X968, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1M33.8Very low54Low234 Ų234108.5 Ų108.5100%1.15357%0.567SS**  0102.20-76.7-171.7168.300107.7
2P39.6Very low57.4Low106 Ų10699.8 Ų99.869%0.68852%0.522SS*.  trans-91.87.3-173.414.81.7000114.6I4 N5P2-I4 VanDerWaalsContact C-N 3.28Å; P2-I4 PolarHBondContact O-N 2.91Å; P2-I4 VanDerWaalsContact O-N 3.1Å; P2-N5 PolarHBondContact O-N 2.9Å
3S44.3Very low60.3Low93 Ų9392.2 Ų92.265%0.6548%0.482SS*.THydrogen-bonded Turntrans-74-6.3-162.8-40.30000116.4
4I48.8Very low62.8Low142 Ų14288.1 Ų88.173%0.72846%0.461SS*.THydrogen-bonded Turntrans-85.9-29.4-179.5-68.1171000111.4P2 K7P2-I4 VanDerWaalsContact C-N 3.28Å; P2-I4 PolarHBondContact O-N 2.91Å; P2-I4 VanDerWaalsContact O-N 3.1Å; I4-K7 PolarHBondContact O-N 3.25Å
5N48.7Very low65.1Low58 Ų5882.3 Ų82.331%0.3143%0.431SS..Hα-helixtrans-73.6-43.4-173.4-115.4-35.9000112.6P2 K7 L8 E9P2-N5 PolarHBondContact O-N 2.9Å; N5-K7 PolarHBondContact O-N 3.38Å; N5-L8 PolarHBondContact O-N 2.99Å; N5-L8 VanDerWaalsContact O-N 3.11Å; N5-E9 WeakPolarHBondContact O-CG 3.49Å; N5-E9 PolarHBondContact O-N 2.84Å
6M48.7Very low67Low129 Ų12978.4 Ų78.464%0.63541%0.412SS*.Hα-helixtrans-58.9-23.3175.3-79.7-179.589.100113.9
7K50.2Low68.5Low148 Ų14880.1 Ų80.164%0.64342%0.417SS*.Hα-helixtrans-73.4-27.8-179.8-107.2178.9177.2-177.60113.2I4 N5 V11I4-K7 PolarHBondContact O-N 3.25Å; N5-K7 PolarHBondContact O-N 3.38Å; K7-V11 WeakPolarHBondContact O-CG1 3.39Å
8L52.5Low69.9Low100 Ų10075.8 Ų75.852%0.52440%0.395SS..Hα-helixtrans-85.5-24.1175.5-76.3161.3000112.2N5 M10N5-L8 PolarHBondContact O-N 2.99Å; N5-L8 VanDerWaalsContact O-N 3.11Å; L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 3.23Å
9E60.9Low71.2Confident74 Ų7472.4 Ų72.435%0.34638%0.377SS..Hα-helixtrans-66.3-22.4-174.8-74.1170.3-171.800114.2N5N5-E9 WeakPolarHBondContact O-CG 3.49Å; N5-E9 PolarHBondContact O-N 2.84Å
10M74.8Confident72.3Confident88 Ų8872.6 Ų72.643%0.43338%0.382SS..THydrogen-bonded Turntrans-117.79.8-172.5-60.5-168-17600114.9L8 P61 A64 F85L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 3.23Å; M10-P61 HydrophobicContact CB-CB 3.92Å; M10-A64 WeakPolarHBondContact O-CB 3.17Å; M10-F85 HydrophobicContact CB-CE1 4.32Å; M10-F85 VanDerWaalsContact O-CE1 3.31Å; M10-F85 WeakPolarHBondContact O-CE1 3.47Å
11V92.1Very high73.3Confident21 Ų2173.4 Ų73.413%0.12738%0.384CS..SBendtrans-89.5-8.5177.5-55.60000113.5K7 F58 P61K7-V11 WeakPolarHBondContact O-CG1 3.39Å; V11-F58 WeakPolarHBondContact CB-O 3.35Å; V11-F58 WeakPolarHBondContact O-CD2 3.5Å; V11-F58 PolarHBondContact O-N 3.34Å; V11-P61 HydrophobicContact CG1-CB 4.13Å; V11-P61 HydrophobicContact CG1-CG 4.48Å
12T93.9Very high76.2Confident5 Ų562.3 Ų62.33%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-115127.8-175-56.10000111.8I14 R55 I56 N57 F85 A86T12-I14 HydrophobicContact CG2-CD1 4.36Å; T12-R55 HydrophobicContact CG2-CG 3.61Å; T12-I56 CarbonylContact C-O 3.52Å; T12-I56 WeakPolarHBondContact CA-O 3.18Å; T12-N57 WeakPolarHBondContact CG2-OD1 3.35Å; T12-N57 PolarHBondContact OG1-OD1 2.96Å; T12-N57 VanDerWaalsContact OG1-OD1 3.09Å; T12-F85 WeakPolarHBondContact O-CA 3.25Å; T12-A86 HydrophobicContact CG2-CB 3.59Å; T12-A86 PolarHBondContact O-N 3.25Å
13I95.3Very high78.8Confident0 Ų058.3 Ų58.30%030%0.301CS..EExtended strand (participates in β ladder)trans-112.4139171.9-64.8176.7000110I56 F58 A64 R68 L83 Y84 F85I13-I56 HydrophobicContact CB-CB 4.45Å; I13-I56 PolarHBondContact N-O 2.8Å; I13-I56 PolarHBondContact O-N 3.25Å; I13-F58 HydrophobicContact CB-CE2 4.27Å; I13-F58 HydrophobicContact CD1-CE2 3.72Å; I13-F58 HydrophobicContact CD1-CZ 4.26Å; I13-F58 HydrophobicContact CG1-CE2 4.05Å; I13-A64 HydrophobicContact CD1-CB 4.27Å; I13-A64 VanDerWaalsContact CD1-O 3.3Å; I13-A64 WeakPolarHBondContact CD1-O 3.44Å; I13-A64 HydrophobicContact CG1-CB 4.43Å; I13-R68 HydrophobicContact CD1-CB 3.75Å; I13-L83 HydrophobicContact CG2-CB 3.86Å; I13-L83 HydrophobicContact CG2-CD2 4.1Å; I13-L83 HydrophobicContact CG2-CG 4.43Å; I13-Y84 CarbonylContact C-O 3.52Å; I13-Y84 WeakPolarHBondContact CA-O 3.41Å; I13-F85 HydrophobicContact CG1-CD1 4.13Å; I13-F85 HydrophobicContact CG1-CE1 4.14Å
14I95.9Very high81.2Confident36 Ų3658.3 Ų58.319%0.18530%0.297CS..EExtended strand (participates in β ladder)trans-103.4114.8168.2-51.8-56.7000108.4T12 R53 R55 Y84 A86T12-I14 HydrophobicContact CG2-CD1 4.36Å; I14-R53 HydrophobicContact CG2-CB 4.47Å; I14-R53 HydrophobicContact CG2-CG 4.4Å; I14-R55 HydrophobicContact CD1-CB 3.69Å; I14-R55 HydrophobicContact CD1-CG 3.82Å; I14-Y84 PolarHBondContact N-O 3.46Å; I14-Y84 PolarHBondContact O-N 3.23Å; I14-A86 HydrophobicContact CD1-CB 4.07Å; I14-A86 HydrophobicContact CG1-CB 3.94Å
15A96.6Very high83.4Confident1 Ų153.8 Ų53.81%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-82.6125165.900000109.5V18 F32 R53 V54 I56 K82 L83A15-V18 HydrophobicContact CB-CG2 3.67Å; A15-F32 HydrophobicContact CB-CZ 4.03Å; A15-R53 CarbonylContact O-C 3.59Å; A15-R53 WeakPolarHBondContact O-CA 3.4Å; A15-V54 HydrophobicContact CB-CB 4.31Å; A15-V54 PolarHBondContact N-O 3Å; A15-V54 PolarHBondContact O-N 3.23Å; A15-I56 HydrophobicContact CB-CD1 4.19Å; A15-K82 CarbonylContact C-O 3.56Å; A15-K82 WeakPolarHBondContact CA-O 3.32Å; A15-L83 HydrophobicContact CB-CD2 3.56Å
16C95.5Very high85.6Confident19 Ų1956.9 Ų56.913%0.12830%0.295CS..EExtended strand (participates in β ladder)trans-109.8153-178.8-73.50000111.3V18 K82 Y84C16-V18 PolarHBondContact O-N 3.48Å; C16-K82 HydrophobicContact CB-CB 4.05Å; C16-K82 PolarHBondContact N-O 2.74Å; C16-Y84 HydrophobicContact CB-CD2 4.29Å; C16-Y84 HydrophobicContact CB-CE2 3.98Å
17E92.9Very high87.8Confident108 Ų10856.9 Ų56.951%0.50529%0.291SS..SBendtrans55.830.3177.9-62.6174.4-149.200113.7R52 K82E17-R52 PolarHBondContact N-O 3.03Å; E17-R52 VanDerWaalsContact N-O 3.1Å; E17-R52 PolarHBondContact O-NH2 3.05Å; E17-K82 HydrophobicContact CG-CD 4.41Å; E17-K82 IonicContact OE1-NZ 2.71Å; E17-K82 PolarHBondContact OE1-NZ 3.34Å; E17-K82 WeakPolarHBondContact OE2-CE 3.44Å; E17-K82 IonicContact OE2-NZ 2.69Å; E17-K82 PolarHBondContact OE2-NZ 3.42Å
18V94.4Very high89.9Confident3 Ų350.8 Ų50.82%0.01827%0.265CS..  trans-59.1144-179-177.20000109.8A15 C16 T20 V22 F23 F32 R52 V54A15-V18 HydrophobicContact CB-CG2 3.67Å; C16-V18 PolarHBondContact O-N 3.48Å; V18-T20 PolarHBondContact O-N 3.19Å; V18-V22 HydrophobicContact CG1-CB 3.82Å; V18-V22 HydrophobicContact CG1-CG1 3.91Å; V18-V22 HydrophobicContact CG1-CG2 3.82Å; V18-F23 HydrophobicContact CB-CE2 3.84Å; V18-F23 HydrophobicContact CB-CZ 3.99Å; V18-F23 HydrophobicContact CG1-CE2 3.94Å; V18-F23 HydrophobicContact CG1-CZ 4.2Å; V18-F32 HydrophobicContact CG1-CD2 4.37Å; V18-F32 HydrophobicContact CG1-CE2 3.99Å; V18-F32 HydrophobicContact CG1-CZ 4.26Å; V18-F32 HydrophobicContact CG2-CE2 4.48Å; V18-F32 HydrophobicContact CG2-CZ 4.32Å; V18-R52 PolarHBondContact N-O 2.88Å; V18-R52 VanDerWaalsContact N-O 3.08Å; V18-R52 PolarHBondContact O-NE 3.33Å; V18-R52 PolarHBondContact O-NH2 2.97Å; V18-V54 HydrophobicContact CB-CG2 4.5Å; V18-V54 HydrophobicContact CG1-CG2 4.36Å; V18-V54 HydrophobicContact CG2-CG2 4.12Å
19D93.6Very high92Very high11 Ų1148.7 Ų48.76%0.05925%0.253CS..  trans-56.2136.9178.5-161.1-55000110.8E21 V22 F23 N77 K79D19-E21 PolarHBondContact O-N 3.21Å; D19-E21 PolarHBondContact OD1-N 3Å; D19-V22 HydrophobicContact CB-CG2 4.25Å; D19-V22 WeakPolarHBondContact O-CB 3.44Å; D19-V22 PolarHBondContact O-N 3.49Å; D19-V22 VanDerWaalsContact O-N 3.13Å; D19-F23 WeakPolarHBondContact O-CD2 3.33Å; D19-N77 PolarHBondContact OD2-ND2 2.95Å; D19-N77 VanDerWaalsContact OD2-ND2 3.15Å; D19-K79 HydrophobicContact CB-CD 4.49Å; D19-K79 IonicContact OD1-NZ 2.8Å; D19-K79 IonicContact OD2-NZ 3.8Å; D19-K79 PolarHBondContact OD2-NZ 3.33Å
20T92.7Very high93.7Very high75 Ų7551.2 Ų51.246%0.4626%0.264SS..G310 helixtrans-58.5-30.9178.240.80000112.7V18 V22 F23 T24V18-T20 PolarHBondContact O-N 3.19Å; T20-V22 PolarHBondContact O-N 3.49Å; T20-F23 PolarHBondContact O-N 3.25Å; T20-T24 PolarHBondContact O-N 3.29Å; T20-T24 PolarHBondContact O-OG1 3.13Å
21E93.6Very high94.7Very high91 Ų9153.7 Ų53.743%0.42527%0.269SS..G310 helixtrans-62.8-28.5178.5-68.8-173.1170.800112.8D19 F23 T24 S25 M28 N77D19-E21 PolarHBondContact O-N 3.21Å; D19-E21 PolarHBondContact OD1-N 3Å; E21-F23 PolarHBondContact O-N 2.92Å; E21-T24 WeakPolarHBondContact CA-OG1 3.42Å; E21-T24 PolarHBondContact O-N 2.84Å; E21-T24 PolarHBondContact O-OG1 3.15Å; E21-S25 WeakPolarHBondContact O-CB 3.44Å; E21-S25 PolarHBondContact O-N 2.74Å; E21-M28 HydrophobicContact CB-CB 4.41Å; E21-M28 HydrophobicContact CB-CG 4.24Å; E21-N77 PolarHBondContact OE2-ND2 3.48Å
22V94.9Very high94.9Very high1 Ų152.8 Ų52.81%0.00626%0.263CS..G310 helixtrans-62.5-23.5174.6178.40000111.6V18 D19 T20 Q29 F32 F76V18-V22 HydrophobicContact CG1-CB 3.82Å; V18-V22 HydrophobicContact CG1-CG1 3.91Å; V18-V22 HydrophobicContact CG1-CG2 3.82Å; D19-V22 HydrophobicContact CB-CG2 4.25Å; D19-V22 WeakPolarHBondContact O-CB 3.44Å; D19-V22 PolarHBondContact O-N 3.49Å; D19-V22 VanDerWaalsContact O-N 3.13Å; T20-V22 PolarHBondContact O-N 3.49Å; V22-Q29 WeakPolarHBondContact O-CB 3.43Å; V22-F32 HydrophobicContact CG1-CB 3.85Å; V22-F32 HydrophobicContact CG1-CD1 3.94Å; V22-F32 HydrophobicContact CG1-CD2 4.36Å; V22-F32 HydrophobicContact CG1-CG 3.79Å; V22-F32 HydrophobicContact CG2-CB 4.14Å; V22-F32 HydrophobicContact CG2-CD2 4.29Å; V22-F32 HydrophobicContact CG2-CG 4.31Å; V22-F76 HydrophobicContact CG2-CE1 3.62Å; V22-F76 HydrophobicContact CG2-CZ 4.31Å
23F94.6Very high95Very high21 Ų2153.6 Ų53.69%0.09227%0.267CS..G310 helixtrans-102.91.8-179.7-53.9-89.2000113.8V18 D19 T20 E21 L47 K49 V54V18-F23 HydrophobicContact CB-CE2 3.84Å; V18-F23 HydrophobicContact CB-CZ 3.99Å; V18-F23 HydrophobicContact CG1-CE2 3.94Å; V18-F23 HydrophobicContact CG1-CZ 4.2Å; D19-F23 WeakPolarHBondContact O-CD2 3.33Å; T20-F23 PolarHBondContact O-N 3.25Å; E21-F23 PolarHBondContact O-N 2.92Å; F23-L47 HydrophobicContact CD1-CB 3.98Å; F23-L47 HydrophobicContact CD1-CD2 3.86Å; F23-L47 HydrophobicContact CD1-CG 4.35Å; F23-L47 HydrophobicContact CE1-CB 3.95Å; F23-L47 HydrophobicContact CE1-CD2 4.22Å; F23-L47 HydrophobicContact CE1-CG 4.31Å; F23-K49 HydrophobicContact CB-CB 4.21Å; F23-K49 HydrophobicContact CB-CD 3.97Å; F23-K49 HydrophobicContact CB-CG 3.77Å; F23-K49 HydrophobicContact CD1-CB 3.91Å; F23-K49 HydrophobicContact CD1-CG 4.34Å; F23-K49 HydrophobicContact CG-CB 4.21Å; F23-K49 HydrophobicContact CG-CG 4.12Å; F23-K49 PolarHBondContact O-NZ 2.95Å; F23-V54 HydrophobicContact CE1-CG2 3.83Å; F23-V54 HydrophobicContact CZ-CG2 3.77Å
24T94.2Very high95.1Very high94 Ų9455.9 Ų55.958%0.57729%0.285SS*.THydrogen-bonded Turntrans-126.8-24.7-177.557.90000113.5T20 E21T20-T24 PolarHBondContact O-N 3.29Å; T20-T24 PolarHBondContact O-OG1 3.13Å; E21-T24 WeakPolarHBondContact CA-OG1 3.42Å; E21-T24 PolarHBondContact O-N 2.84Å; E21-T24 PolarHBondContact O-OG1 3.15Å
25S95.4Very high95.1Very high47 Ų4756.3 Ų56.333%0.32929%0.288SS..  trans-119117-177.6173.70000110.4E21 K27 M28 Q29E21-S25 WeakPolarHBondContact O-CB 3.44Å; E21-S25 PolarHBondContact O-N 2.74Å; S25-K27 PolarHBondContact O-N 2.85Å; S25-M28 PolarHBondContact O-N 3.09Å; S25-Q29 PolarHBondContact O-N 3.31Å
26D95.1Very high95.1Very high123 Ų12356.2 Ų56.266%0.65829%0.288SS*.Hα-helixtrans-55.5-39.9179.1-59.7-20.5000111.4M28 Q29 E30D26-M28 VanDerWaalsContact C-N 3.33Å; D26-M28 PolarHBondContact O-N 3.31Å; D26-Q29 WeakPolarHBondContact O-CB 3.43Å; D26-Q29 PolarHBondContact O-N 3.07Å; D26-E30 WeakPolarHBondContact O-CB 3.33Å; D26-E30 WeakPolarHBondContact O-CG 3.38Å; D26-E30 PolarHBondContact O-N 2.8Å
27K95.5Very high95.2Very high129 Ų12960.6 Ų60.656%0.56130%0.301SS*.Hα-helixtrans-63-37.6177.4-174.8178.7-179.1178.30112.8S25 R31S25-K27 PolarHBondContact O-N 2.85Å; K27-R31 VanDerWaalsContact O-CG 3.32Å; K27-R31 WeakPolarHBondContact O-CG 3.42Å; K27-R31 PolarHBondContact O-N 3.24Å
28M94.4Very high95.3Very high19 Ų1961.9 Ų61.99%0.09431%0.31CS..Hα-helixtrans-77-34.9177.5-75.9-58.8-69.600111.4E21 S25 D26 R31 F32 F76 N77E21-M28 HydrophobicContact CB-CB 4.41Å; E21-M28 HydrophobicContact CB-CG 4.24Å; S25-M28 PolarHBondContact O-N 3.09Å; D26-M28 VanDerWaalsContact C-N 3.33Å; D26-M28 PolarHBondContact O-N 3.31Å; M28-R31 PolarHBondContact O-N 3.39Å; M28-F32 WeakPolarHBondContact O-CB 3.37Å; M28-F32 PolarHBondContact O-N 3.04Å; M28-F76 HydrophobicContact CE-CE1 4.07Å; M28-F76 HydrophobicContact CE-CZ 3.97Å; M28-N77 HydrophobicContact CE-CB 4Å
29Q95.4Very high95.4Very high56 Ų5662.9 Ų62.926%0.26231%0.314SS..Hα-helixtrans-60.2-51.1171.7-170.7-178.6-34.500111.1V22 S25 D26 R31 F32 E33 L47V22-Q29 WeakPolarHBondContact O-CB 3.43Å; S25-Q29 PolarHBondContact O-N 3.31Å; D26-Q29 WeakPolarHBondContact O-CB 3.43Å; D26-Q29 PolarHBondContact O-N 3.07Å; Q29-R31 VanDerWaalsContact C-N 3.31Å; Q29-R31 PolarHBondContact O-N 2.89Å; Q29-F32 WeakPolarHBondContact O-CB 3.38Å; Q29-F32 PolarHBondContact O-N 3.36Å; Q29-F32 VanDerWaalsContact O-N 3.09Å; Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 PolarHBondContact NE2-OE1 3.46Å; Q29-E33 WeakPolarHBondContact O-CG 3.42Å; Q29-E33 PolarHBondContact O-N 3.24Å; Q29-L47 HydrophobicContact CG-CD2 4.22Å
30E96Very high95.4Very high127 Ų12763.1 Ų63.159%0.59332%0.315SS*.Hα-helixtrans-57.7-43.1177.9-76.3177.4178.200112.2D26 F32 E33 A34D26-E30 WeakPolarHBondContact O-CB 3.33Å; D26-E30 WeakPolarHBondContact O-CG 3.38Å; D26-E30 PolarHBondContact O-N 2.8Å; E30-F32 VanDerWaalsContact C-N 3.34Å; E30-F32 PolarHBondContact O-N 3.07Å; E30-E33 PolarHBondContact O-N 3.23Å; E30-A34 VanDerWaalsContact O-CB 3.25Å; E30-A34 WeakPolarHBondContact O-CB 3.22Å; E30-A34 PolarHBondContact O-N 3.35Å
31R96.1Very high95.5Very high141 Ų14166.1 Ų66.153%0.53233%0.328SS..Hα-helixtrans-62.6-40.5175.6-77.7176.3174.7-169.4-4.9112.6K27 M28 Q29K27-R31 VanDerWaalsContact O-CG 3.32Å; K27-R31 WeakPolarHBondContact O-CG 3.42Å; K27-R31 PolarHBondContact O-N 3.24Å; M28-R31 PolarHBondContact O-N 3.39Å; Q29-R31 VanDerWaalsContact C-N 3.31Å; Q29-R31 PolarHBondContact O-N 2.89Å
32F96.8Very high95.5Very high2 Ų268.8 Ų68.81%0.00934%0.341CS..Hα-helixtrans-66-48176.6177.5-93.5000111.1A15 V18 V22 M28 Q29 E30 A34 L35 F36 V54 I56 F76 L81A15-F32 HydrophobicContact CB-CZ 4.03Å; V18-F32 HydrophobicContact CG1-CD2 4.37Å; V18-F32 HydrophobicContact CG1-CE2 3.99Å; V18-F32 HydrophobicContact CG1-CZ 4.26Å; V18-F32 HydrophobicContact CG2-CE2 4.48Å; V18-F32 HydrophobicContact CG2-CZ 4.32Å; V22-F32 HydrophobicContact CG1-CB 3.85Å; V22-F32 HydrophobicContact CG1-CD1 3.94Å; V22-F32 HydrophobicContact CG1-CD2 4.36Å; V22-F32 HydrophobicContact CG1-CG 3.79Å; V22-F32 HydrophobicContact CG2-CB 4.14Å; V22-F32 HydrophobicContact CG2-CD2 4.29Å; V22-F32 HydrophobicContact CG2-CG 4.31Å; M28-F32 WeakPolarHBondContact O-CB 3.37Å; M28-F32 PolarHBondContact O-N 3.04Å; Q29-F32 WeakPolarHBondContact O-CB 3.38Å; Q29-F32 PolarHBondContact O-N 3.36Å; Q29-F32 VanDerWaalsContact O-N 3.09Å; E30-F32 VanDerWaalsContact C-N 3.34Å; E30-F32 PolarHBondContact O-N 3.07Å; F32-A34 VanDerWaalsContact C-N 3.29Å; F32-A34 PolarHBondContact O-N 3.24Å; F32-L35 WeakPolarHBondContact O-CB 3.39Å; F32-L35 PolarHBondContact O-N 2.96Å; F32-F36 HydrophobicContact CD1-CE2 4.22Å; F32-F36 HydrophobicContact CD2-CE2 4.38Å; F32-F36 HydrophobicContact CE1-CD2 4.27Å; F32-F36 AromaticContact CE1-CE2 3.68Å; F32-F36 HydrophobicContact CE1-CE2 3.68Å; F32-F36 AromaticContact CE2-CE2 3.88Å; F32-F36 HydrophobicContact CE2-CE2 3.88Å; F32-F36 HydrophobicContact CE2-CZ 4.41Å; F32-F36 HydrophobicContact CZ-CD2 4.49Å; F32-F36 AromaticContact CZ-CE2 3.5Å; F32-F36 HydrophobicContact CZ-CE2 3.5Å; F32-F36 VanDerWaalsContact CZ-CE2 3.5Å; F32-F36 HydrophobicContact CZ-CZ 4.07Å; F32-F36 WeakPolarHBondContact O-CD2 3.36Å; F32-V54 HydrophobicContact CE1-CB 4.19Å; F32-V54 HydrophobicContact CE1-CG1 4.11Å; F32-V54 HydrophobicContact CE1-CG2 4.16Å; F32-V54 HydrophobicContact CZ-CB 4.45Å; F32-V54 HydrophobicContact CZ-CG2 4.44Å; F32-I56 HydrophobicContact CZ-CD1 4.48Å; F32-F76 HydrophobicContact CB-CE1 4.19Å; F32-F76 HydrophobicContact CB-CE2 4.37Å; F32-F76 HydrophobicContact CB-CZ 3.72Å; F32-F76 HydrophobicContact CD2-CD1 4.2Å; F32-F76 AromaticContact CD2-CE1 3.91Å; F32-F76 HydrophobicContact CD2-CE1 3.91Å; F32-F76 HydrophobicContact CD2-CZ 4.11Å; F32-F76 HydrophobicContact CG-CZ 4.43Å; F32-L81 HydrophobicContact CE2-CD2 3.96Å
33E96.5Very high95.5Very high21 Ų2169.2 Ų69.210%0.09834%0.343CS..Hα-helixtrans-61.8-37.6178.1-70.1-176.1-168.100112.1Q29 E30 L35 F36 R37 F45Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 PolarHBondContact NE2-OE1 3.46Å; Q29-E33 WeakPolarHBondContact O-CG 3.42Å; Q29-E33 PolarHBondContact O-N 3.24Å; E30-E33 PolarHBondContact O-N 3.23Å; E33-L35 PolarHBondContact O-N 3.2Å; E33-F36 PolarHBondContact O-N 3.1Å; E33-F36 VanDerWaalsContact O-N 3.07Å; E33-R37 PolarHBondContact O-N 2.85Å; E33-R37 VanDerWaalsContact O-N 3.07Å; E33-R37 IonicContact OE2-CZ 3.56Å; E33-R37 IonicContact OE2-NH1 3.91Å; E33-R37 IonicContact OE2-NH2 2.74Å; E33-R37 PolarHBondContact OE2-NH2 3.18Å; E33-F45 HydrophobicContact CB-CD2 4.23Å; E33-F45 HydrophobicContact CB-CE1 4.32Å; E33-F45 HydrophobicContact CB-CE2 3.67Å; E33-F45 HydrophobicContact CB-CZ 3.73Å; E33-F45 HydrophobicContact CG-CD1 4.12Å; E33-F45 HydrophobicContact CG-CD2 3.65Å; E33-F45 HydrophobicContact CG-CE1 4.11Å; E33-F45 HydrophobicContact CG-CE2 3.62Å; E33-F45 HydrophobicContact CG-CG 3.9Å; E33-F45 HydrophobicContact CG-CZ 3.87Å
34A96.4Very high95.6Very high48 Ų4871.7 Ų71.740%0.39736%0.361SS..Hα-helixtrans-58.5-31.9178.500000112.9E30 F32 F36 R37 I38E30-A34 VanDerWaalsContact O-CB 3.25Å; E30-A34 WeakPolarHBondContact O-CB 3.22Å; E30-A34 PolarHBondContact O-N 3.35Å; F32-A34 VanDerWaalsContact C-N 3.29Å; F32-A34 PolarHBondContact O-N 3.24Å; A34-F36 VanDerWaalsContact C-N 3.26Å; A34-F36 PolarHBondContact O-N 3.44Å; A34-R37 PolarHBondContact O-N 3.08Å; A34-I38 WeakPolarHBondContact O-CG1 3.4Å
35L96.1Very high95.8Very high45 Ų4568.9 Ų68.924%0.23634%0.34CS..Hα-helixtrans-58.5-40.8175.9-64.4175000111.8F32 E33 Y39 L71 F76 L81F32-L35 WeakPolarHBondContact O-CB 3.39Å; F32-L35 PolarHBondContact O-N 2.96Å; E33-L35 PolarHBondContact O-N 3.2Å; L35-Y39 WeakPolarHBondContact O-CD2 3.32Å; L35-Y39 VanDerWaalsContact O-CE2 3.22Å; L35-Y39 WeakPolarHBondContact O-CE2 3.37Å; L35-L71 HydrophobicContact CB-CD1 4.16Å; L35-F76 HydrophobicContact CD1-CD2 3.62Å; L35-F76 HydrophobicContact CD1-CE2 3.94Å; L35-F76 HydrophobicContact CD1-CG 4.37Å; L35-L81 HydrophobicContact CD1-CD1 4.18Å
36F97.2Very high95.8Very high0 Ų070.7 Ų70.70%034%0.343CS..Hα-helixtrans-87.4-29.3-175.5-58.7-80.9000112.2F32 E33 A34 I38 Y39 V43 F45 I56 F58 A67 L71 L83F32-F36 HydrophobicContact CD1-CE2 4.22Å; F32-F36 HydrophobicContact CD2-CE2 4.38Å; F32-F36 HydrophobicContact CE1-CD2 4.27Å; F32-F36 AromaticContact CE1-CE2 3.68Å; F32-F36 HydrophobicContact CE1-CE2 3.68Å; F32-F36 AromaticContact CE2-CE2 3.88Å; F32-F36 HydrophobicContact CE2-CE2 3.88Å; F32-F36 HydrophobicContact CE2-CZ 4.41Å; F32-F36 HydrophobicContact CZ-CD2 4.49Å; F32-F36 AromaticContact CZ-CE2 3.5Å; F32-F36 HydrophobicContact CZ-CE2 3.5Å; F32-F36 VanDerWaalsContact CZ-CE2 3.5Å; F32-F36 HydrophobicContact CZ-CZ 4.07Å; F32-F36 WeakPolarHBondContact O-CD2 3.36Å; E33-F36 PolarHBondContact O-N 3.1Å; E33-F36 VanDerWaalsContact O-N 3.07Å; A34-F36 VanDerWaalsContact C-N 3.26Å; A34-F36 PolarHBondContact O-N 3.44Å; F36-I38 PolarHBondContact O-N 2.96Å; F36-Y39 PolarHBondContact O-N 3.12Å; F36-Y39 VanDerWaalsContact O-N 3.1Å; F36-V43 HydrophobicContact CB-CG2 4.41Å; F36-F45 HydrophobicContact CB-CE1 3.97Å; F36-F45 HydrophobicContact CB-CZ 3.94Å; F36-F45 AromaticContact CD2-CE1 3.89Å; F36-F45 HydrophobicContact CD2-CE1 3.89Å; F36-F45 HydrophobicContact CD2-CZ 4.47Å; F36-F45 HydrophobicContact CG-CE1 4.18Å; F36-I56 HydrophobicContact CB-CG2 4.31Å; F36-I56 HydrophobicContact CD1-CD1 3.84Å; F36-I56 HydrophobicContact CD1-CG2 4.38Å; F36-I56 HydrophobicContact CD2-CD1 3.88Å; F36-I56 HydrophobicContact CE1-CD1 3.53Å; F36-I56 HydrophobicContact CE2-CD1 3.62Å; F36-I56 HydrophobicContact CG-CD1 3.98Å; F36-I56 HydrophobicContact CG-CG2 4.27Å; F36-I56 HydrophobicContact CZ-CD1 3.42Å; F36-I56 VanDerWaalsContact CZ-CD1 3.42Å; F36-F58 HydrophobicContact CB-CE1 4.45Å; F36-F58 HydrophobicContact CB-CZ 4.27Å; F36-F58 AromaticContact CD1-CZ 3.94Å; F36-F58 HydrophobicContact CD1-CZ 3.94Å; F36-A67 HydrophobicContact CD1-CB 4.46Å; F36-L71 HydrophobicContact CD1-CD1 3.68Å; F36-L71 HydrophobicContact CE1-CD1 3.53Å; F36-L71 HydrophobicContact CG-CD1 4.39Å; F36-L71 HydrophobicContact CZ-CD1 4.09Å; F36-L83 HydrophobicContact CE1-CD1 4Å; F36-L83 HydrophobicContact CE1-CD2 4.33Å; F36-L83 HydrophobicContact CZ-CD1 4.33Å; F36-L83 HydrophobicContact CZ-CD2 4.1Å
37R96.5Very high95.8Very high111 Ų11167.8 Ų67.842%0.41933%0.328SS..Hα-helixtrans-60.8-25.8175.7-77.6-173-179.4140.916113.6E33 A34 Y39 D40 V43E33-R37 PolarHBondContact O-N 2.85Å; E33-R37 VanDerWaalsContact O-N 3.07Å; E33-R37 IonicContact OE2-CZ 3.56Å; E33-R37 IonicContact OE2-NH1 3.91Å; E33-R37 IonicContact OE2-NH2 2.74Å; E33-R37 PolarHBondContact OE2-NH2 3.18Å; A34-R37 PolarHBondContact O-N 3.08Å; R37-Y39 PolarHBondContact O-N 2.83Å; R37-D40 WeakPolarHBondContact CA-O 3.38Å; R37-D40 CarbonylContact O-C 3.54Å; R37-D40 PolarHBondContact O-N 2.8Å; R37-V43 HydrophobicContact CB-CG1 4.37Å; R37-V43 HydrophobicContact CG-CG1 3.51Å
38I95.9Very high95.8Very high135 Ų13566 Ų6669%0.69232%0.32SS*.THydrogen-bonded Turntrans-59.2-30175.3-64.2162.1000112A34 F36A34-I38 WeakPolarHBondContact O-CG1 3.4Å; F36-I38 PolarHBondContact O-N 2.96Å
39Y95.6Very high95.8Very high23 Ų2370.9 Ų70.99%0.0934%0.341CS..THydrogen-bonded Turntrans-90.4-25.6-177.7-58.5-86.4000112.7L35 F36 R37 R66 A67 E70 L71L35-Y39 WeakPolarHBondContact O-CD2 3.32Å; L35-Y39 VanDerWaalsContact O-CE2 3.22Å; L35-Y39 WeakPolarHBondContact O-CE2 3.37Å; F36-Y39 PolarHBondContact O-N 3.12Å; F36-Y39 VanDerWaalsContact O-N 3.1Å; R37-Y39 PolarHBondContact O-N 2.83Å; Y39-R66 HydrophobicContact CD1-CB 4.04Å; Y39-R66 HydrophobicContact CE1-CB 4.32Å; Y39-R66 PolarHBondContact O-NH2 3.44Å; Y39-A67 HydrophobicContact CD1-CB 4.14Å; Y39-A67 HydrophobicContact CD2-CB 3.69Å; Y39-A67 HydrophobicContact CE2-CB 4.1Å; Y39-A67 HydrophobicContact CG-CB 3.72Å; Y39-E70 VanDerWaalsContact CE1-OE2 3.22Å; Y39-E70 WeakPolarHBondContact CE1-OE2 3.33Å; Y39-E70 WeakPolarHBondContact OH-CB 3.26Å; Y39-E70 WeakPolarHBondContact OH-CG 3.35Å; Y39-E70 PolarHBondContact OH-OE2 2.92Å; Y39-L71 HydrophobicContact CE2-CD1 3.76Å; Y39-L71 HydrophobicContact CE2-CG 4.1Å
40D94.9Very high95.7Very high17 Ų1773.9 Ų73.99%0.09137%0.368CS..  trans-162.9119.8-175.2-171-10.3000111.8R37 Q42 V43 F58 S59 A63R37-D40 WeakPolarHBondContact CA-O 3.38Å; R37-D40 CarbonylContact O-C 3.54Å; R37-D40 PolarHBondContact O-N 2.8Å; D40-Q42 VanDerWaalsContact C-N 3.26Å; D40-Q42 PolarHBondContact O-N 3.46Å; D40-Q42 PolarHBondContact OD1-N 3.41Å; D40-V43 WeakPolarHBondContact O-CG1 3.18Å; D40-V43 PolarHBondContact O-N 2.63Å; D40-F58 HydrophobicContact CB-CD1 3.82Å; D40-S59 VanDerWaalsContact CG-OG 3.22Å; D40-S59 PolarHBondContact OD1-OG 2.86Å; D40-S59 VanDerWaalsContact OD2-CB 3.26Å; D40-S59 WeakPolarHBondContact OD2-CB 3.37Å; D40-S59 PolarHBondContact OD2-N 2.93Å; D40-S59 PolarHBondContact OD2-OG 3.09Å; D40-A63 HydrophobicContact CB-CB 4.13Å
41D93.5Very high95.5Very high138 Ų13875 Ų7574%0.73837%0.371SS*.THydrogen-bonded Turntrans-68.9-22.6178.2-71.3-27.2000113.2
42Q94Very high95.5Very high146 Ų14672.4 Ų72.468%0.68236%0.361SS*.THydrogen-bonded Turntrans-97.219.1-177.7-60.1-60.2-56.700112.8D40D40-Q42 VanDerWaalsContact C-N 3.26Å; D40-Q42 PolarHBondContact O-N 3.46Å; D40-Q42 PolarHBondContact OD1-N 3.41Å
43V96.3Very high95.5Very high10 Ų1078.3 Ų78.36%0.06138%0.384CS..  trans-66.4136.3177.866.90000111.7F36 R37 D40 F45 I56 N57 F58F36-V43 HydrophobicContact CB-CG2 4.41Å; R37-V43 HydrophobicContact CB-CG1 4.37Å; R37-V43 HydrophobicContact CG-CG1 3.51Å; D40-V43 WeakPolarHBondContact O-CG1 3.18Å; D40-V43 PolarHBondContact O-N 2.63Å; V43-F45 HydrophobicContact CB-CE2 4.47Å; V43-F45 HydrophobicContact CB-CZ 4.35Å; V43-F45 HydrophobicContact CG1-CE2 3.59Å; V43-F45 HydrophobicContact CG1-CZ 3.55Å; V43-F45 HydrophobicContact CG2-CE1 4.17Å; V43-F45 HydrophobicContact CG2-CE2 4.25Å; V43-F45 HydrophobicContact CG2-CZ 3.84Å; V43-I56 HydrophobicContact CG2-CG2 3.35Å; V43-N57 WeakPolarHBondContact CA-O 3.49Å; V43-F58 HydrophobicContact CG2-CD1 4.29Å; V43-F58 HydrophobicContact CG2-CE1 4.22Å; V43-F58 HydrophobicContact CG2-CZ 4.41Å
44T96.3Very high95.5Very high74 Ų7477.4 Ų77.445%0.45438%0.379SS..EExtended strand (participates in β ladder)trans-115.4145.3176.461.80000111.3I56 N57T44-I56 WeakPolarHBondContact O-CA 3.44Å; T44-N57 PolarHBondContact N-O 2.86Å; T44-N57 PolarHBondContact O-N 3.21Å; T44-N57 WeakPolarHBondContact OG1-CB 3.49Å; T44-N57 PolarHBondContact OG1-ND2 2.88Å; T44-N57 VanDerWaalsContact OG1-ND2 3.12Å
45F96.9Very high95.5Very high34 Ų3479.1 Ų79.115%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-121.1134.2-176.7-56.3-87.4000111E33 F36 V43 L47 V54 R55 I56E33-F45 HydrophobicContact CB-CD2 4.23Å; E33-F45 HydrophobicContact CB-CE1 4.32Å; E33-F45 HydrophobicContact CB-CE2 3.67Å; E33-F45 HydrophobicContact CB-CZ 3.73Å; E33-F45 HydrophobicContact CG-CD1 4.12Å; E33-F45 HydrophobicContact CG-CD2 3.65Å; E33-F45 HydrophobicContact CG-CE1 4.11Å; E33-F45 HydrophobicContact CG-CE2 3.62Å; E33-F45 HydrophobicContact CG-CG 3.9Å; E33-F45 HydrophobicContact CG-CZ 3.87Å; F36-F45 HydrophobicContact CB-CE1 3.97Å; F36-F45 HydrophobicContact CB-CZ 3.94Å; F36-F45 AromaticContact CD2-CE1 3.89Å; F36-F45 HydrophobicContact CD2-CE1 3.89Å; F36-F45 HydrophobicContact CD2-CZ 4.47Å; F36-F45 HydrophobicContact CG-CE1 4.18Å; V43-F45 HydrophobicContact CB-CE2 4.47Å; V43-F45 HydrophobicContact CB-CZ 4.35Å; V43-F45 HydrophobicContact CG1-CE2 3.59Å; V43-F45 HydrophobicContact CG1-CZ 3.55Å; V43-F45 HydrophobicContact CG2-CE1 4.17Å; V43-F45 HydrophobicContact CG2-CE2 4.25Å; V43-F45 HydrophobicContact CG2-CZ 3.84Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; F45-V54 HydrophobicContact CB-CG1 4.35Å; F45-V54 HydrophobicContact CD1-CG1 4.22Å; F45-R55 CarbonylContact C-O 3.58Å; F45-R55 WeakPolarHBondContact CA-O 3.25Å; F45-I56 HydrophobicContact CD1-CB 4.48Å; F45-I56 HydrophobicContact CD1-CG1 3.99Å; F45-I56 HydrophobicContact CD1-CG2 4.13Å; F45-I56 HydrophobicContact CE1-CD1 4.49Å; F45-I56 HydrophobicContact CE1-CG1 4.19Å; F45-I56 HydrophobicContact CE1-CG2 3.8Å
46Q95.9Very high95.5Very high85 Ų8577 Ų7740%0.39736%0.364SS..EExtended strand (participates in β ladder)trans-122.8114.3170.4-64.9170.57.700108.5F48 V54 R55Q46-F48 HydrophobicContact CB-CE2 4.13Å; Q46-F48 HydrophobicContact CB-CZ 4.18Å; Q46-V54 CarbonylContact O-C 3.56Å; Q46-V54 WeakPolarHBondContact O-CA 3.22Å; Q46-R55 HydrophobicContact CB-CB 4.18Å; Q46-R55 PolarHBondContact N-O 3.11Å; Q46-R55 PolarHBondContact O-N 2.61Å
47L95.7Very high95.5Very high63 Ų6378.1 Ų78.133%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-94.5123.1-173.8-70.381.6000110.5F23 Q29 F45 V54F23-L47 HydrophobicContact CD1-CB 3.98Å; F23-L47 HydrophobicContact CD1-CD2 3.86Å; F23-L47 HydrophobicContact CD1-CG 4.35Å; F23-L47 HydrophobicContact CE1-CB 3.95Å; F23-L47 HydrophobicContact CE1-CD2 4.22Å; F23-L47 HydrophobicContact CE1-CG 4.31Å; Q29-L47 HydrophobicContact CG-CD2 4.22Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; L47-V54 HydrophobicContact CG-CG1 4.38Å; L47-V54 HydrophobicContact CG-CG2 4.26Å
48F95.4Very high95.4Very high90 Ų9073.4 Ų73.440%0.39535%0.353SS..EExtended strand (participates in β ladder)trans-110.277.8176.1-58.3-74.8000109.6Q46 S50 F51 R52 R53 R55Q46-F48 HydrophobicContact CB-CE2 4.13Å; Q46-F48 HydrophobicContact CB-CZ 4.18Å; F48-S50 PolarHBondContact O-N 2.62Å; F48-F51 HydrophobicContact CB-CB 4.19Å; F48-F51 HydrophobicContact CB-CD2 4.19Å; F48-F51 CarbonylContact O-C 3.34Å; F48-F51 PolarHBondContact O-N 3.41Å; F48-R52 PolarHBondContact O-N 2.69Å; F48-R53 WeakPolarHBondContact CA-O 3.43Å; F48-R53 HydrophobicContact CB-CB 4.29Å; F48-R53 WeakPolarHBondContact CB-O 3.43Å; F48-R53 HydrophobicContact CD2-CB 4.5Å; F48-R53 PolarHBondContact N-O 3.24Å; F48-R53 PolarHBondContact O-N 3.34Å; F48-R55 HydrophobicContact CE2-CB 3.82Å
49K93.4Very high95.3Very high122 Ų12270.4 Ų70.453%0.5334%0.344SS..G310 helixtrans-51.8-50.2-173-177.7171.2-176.4164.80113.5F23 F51 R52F23-K49 HydrophobicContact CB-CB 4.21Å; F23-K49 HydrophobicContact CB-CD 3.97Å; F23-K49 HydrophobicContact CB-CG 3.77Å; F23-K49 HydrophobicContact CD1-CB 3.91Å; F23-K49 HydrophobicContact CD1-CG 4.34Å; F23-K49 HydrophobicContact CG-CB 4.21Å; F23-K49 HydrophobicContact CG-CG 4.12Å; F23-K49 PolarHBondContact O-NZ 2.95Å; K49-F51 PolarHBondContact O-N 3.02Å; K49-R52 PolarHBondContact O-N 2.92Å
50S94.2Very high95.1Very high119 Ų11972 Ų7283%0.83236%0.356SS*.G310 helixtrans-61.3-31-179.3-51.40000113F48F48-S50 PolarHBondContact O-N 2.62Å
51F93Very high95Very high150 Ų15072.5 Ų72.566%0.65836%0.361SS*.G310 helixtrans-92.5-4.7179.7-63.7-77.7000113F48 K49 R53F48-F51 HydrophobicContact CB-CB 4.19Å; F48-F51 HydrophobicContact CB-CD2 4.19Å; F48-F51 CarbonylContact O-C 3.34Å; F48-F51 PolarHBondContact O-N 3.41Å; K49-F51 PolarHBondContact O-N 3.02Å; F51-R53 HydrophobicContact CB-CB 4.29Å; F51-R53 HydrophobicContact CB-CG 4.29Å; F51-R53 WeakPolarHBondContact O-CG 3.45Å; F51-R53 PolarHBondContact O-N 3.24Å
52R94.8Very high95Very high87 Ų8771.8 Ų71.833%0.32835%0.353SS..THydrogen-bonded Turntrans48.742.7-171.3-62.4-17758.2-156.2-9.3112.1E17 V18 F48 K49E17-R52 PolarHBondContact N-O 3.03Å; E17-R52 VanDerWaalsContact N-O 3.1Å; E17-R52 PolarHBondContact O-NH2 3.05Å; V18-R52 PolarHBondContact N-O 2.88Å; V18-R52 VanDerWaalsContact N-O 3.08Å; V18-R52 PolarHBondContact O-NE 3.33Å; V18-R52 PolarHBondContact O-NH2 2.97Å; F48-R52 PolarHBondContact O-N 2.69Å; K49-R52 PolarHBondContact O-N 2.92Å
53R96.7Very high95.1Very high127 Ų12764.9 Ų64.948%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-123.2146.9-179.1-74.3173.4-169.8-174.40.8110.8I14 A15 F48 F51I14-R53 HydrophobicContact CG2-CB 4.47Å; I14-R53 HydrophobicContact CG2-CG 4.4Å; A15-R53 CarbonylContact O-C 3.59Å; A15-R53 WeakPolarHBondContact O-CA 3.4Å; F48-R53 WeakPolarHBondContact CA-O 3.43Å; F48-R53 HydrophobicContact CB-CB 4.29Å; F48-R53 WeakPolarHBondContact CB-O 3.43Å; F48-R53 HydrophobicContact CD2-CB 4.5Å; F48-R53 PolarHBondContact N-O 3.24Å; F48-R53 PolarHBondContact O-N 3.34Å; F51-R53 HydrophobicContact CB-CB 4.29Å; F51-R53 HydrophobicContact CB-CG 4.29Å; F51-R53 WeakPolarHBondContact O-CG 3.45Å; F51-R53 PolarHBondContact O-N 3.24Å
54V97.3Very high95Very high1 Ų164.4 Ų64.41%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-128124.8170.8-175.30000108A15 V18 F23 F32 F45 Q46 L47 I56A15-V54 HydrophobicContact CB-CB 4.31Å; A15-V54 PolarHBondContact N-O 3Å; A15-V54 PolarHBondContact O-N 3.23Å; V18-V54 HydrophobicContact CB-CG2 4.5Å; V18-V54 HydrophobicContact CG1-CG2 4.36Å; V18-V54 HydrophobicContact CG2-CG2 4.12Å; F23-V54 HydrophobicContact CE1-CG2 3.83Å; F23-V54 HydrophobicContact CZ-CG2 3.77Å; F32-V54 HydrophobicContact CE1-CB 4.19Å; F32-V54 HydrophobicContact CE1-CG1 4.11Å; F32-V54 HydrophobicContact CE1-CG2 4.16Å; F32-V54 HydrophobicContact CZ-CB 4.45Å; F32-V54 HydrophobicContact CZ-CG2 4.44Å; F45-V54 HydrophobicContact CB-CG1 4.35Å; F45-V54 HydrophobicContact CD1-CG1 4.22Å; Q46-V54 CarbonylContact O-C 3.56Å; Q46-V54 WeakPolarHBondContact O-CA 3.22Å; L47-V54 HydrophobicContact CG-CG1 4.38Å; L47-V54 HydrophobicContact CG-CG2 4.26Å; V54-I56 HydrophobicContact CG1-CG1 4.09Å
55R96.1Very high94.9Very high85 Ų8562.6 Ų62.632%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-89.3130.2169.2171.5177177.7170.69.5108.7T12 I14 F45 Q46 F48 N57T12-R55 HydrophobicContact CG2-CG 3.61Å; I14-R55 HydrophobicContact CD1-CB 3.69Å; I14-R55 HydrophobicContact CD1-CG 3.82Å; F45-R55 CarbonylContact C-O 3.58Å; F45-R55 WeakPolarHBondContact CA-O 3.25Å; Q46-R55 HydrophobicContact CB-CB 4.18Å; Q46-R55 PolarHBondContact N-O 3.11Å; Q46-R55 PolarHBondContact O-N 2.61Å; F48-R55 HydrophobicContact CE2-CB 3.82Å; R55-N57 PolarHBondContact NE-OD1 3.1Å; R55-N57 PolarHBondContact NH2-OD1 2.69Å
56I96.8Very high94.8Very high0 Ų067.3 Ų67.30%033%0.327CS..EExtended strand (participates in β ladder)trans-122.8112.7-173.7-50.6173.1000106.2T12 I13 A15 F32 F36 V43 T44 F45 V54 F58T12-I56 CarbonylContact C-O 3.52Å; T12-I56 WeakPolarHBondContact CA-O 3.18Å; I13-I56 HydrophobicContact CB-CB 4.45Å; I13-I56 PolarHBondContact N-O 2.8Å; I13-I56 PolarHBondContact O-N 3.25Å; A15-I56 HydrophobicContact CB-CD1 4.19Å; F32-I56 HydrophobicContact CZ-CD1 4.48Å; F36-I56 HydrophobicContact CB-CG2 4.31Å; F36-I56 HydrophobicContact CD1-CD1 3.84Å; F36-I56 HydrophobicContact CD1-CG2 4.38Å; F36-I56 HydrophobicContact CD2-CD1 3.88Å; F36-I56 HydrophobicContact CE1-CD1 3.53Å; F36-I56 HydrophobicContact CE2-CD1 3.62Å; F36-I56 HydrophobicContact CG-CD1 3.98Å; F36-I56 HydrophobicContact CG-CG2 4.27Å; F36-I56 HydrophobicContact CZ-CD1 3.42Å; F36-I56 VanDerWaalsContact CZ-CD1 3.42Å; V43-I56 HydrophobicContact CG2-CG2 3.35Å; T44-I56 WeakPolarHBondContact O-CA 3.44Å; F45-I56 HydrophobicContact CD1-CB 4.48Å; F45-I56 HydrophobicContact CD1-CG1 3.99Å; F45-I56 HydrophobicContact CD1-CG2 4.13Å; F45-I56 HydrophobicContact CE1-CD1 4.49Å; F45-I56 HydrophobicContact CE1-CG1 4.19Å; F45-I56 HydrophobicContact CE1-CG2 3.8Å; V54-I56 HydrophobicContact CG1-CG1 4.09Å; I56-F58 HydrophobicContact CB-CE2 4.15Å; I56-F58 HydrophobicContact CG2-CD2 4.2Å; I56-F58 HydrophobicContact CG2-CE2 3.47Å; I56-F58 VanDerWaalsContact CG2-CE2 3.47Å; I56-F58 HydrophobicContact CG2-CZ 3.71Å
57N95.6Very high94.8Very high24 Ų2463.2 Ų63.213%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-106124176.9-41.4-83.9000109.3T12 V43 T44 R55T12-N57 WeakPolarHBondContact CG2-OD1 3.35Å; T12-N57 PolarHBondContact OG1-OD1 2.96Å; T12-N57 VanDerWaalsContact OG1-OD1 3.09Å; V43-N57 WeakPolarHBondContact CA-O 3.49Å; T44-N57 PolarHBondContact N-O 2.86Å; T44-N57 PolarHBondContact O-N 3.21Å; T44-N57 WeakPolarHBondContact OG1-CB 3.49Å; T44-N57 PolarHBondContact OG1-ND2 2.88Å; T44-N57 VanDerWaalsContact OG1-ND2 3.12Å; R55-N57 PolarHBondContact NE-OD1 3.1Å; R55-N57 PolarHBondContact NH2-OD1 2.69Å
58F95.4Very high94.8Very high11 Ų1164 Ų645%0.04831%0.307CS..  trans-93.7161.1174.1-62.3-97.8000109.9V11 I13 F36 D40 V43 I56 A63 A64 A67V11-F58 WeakPolarHBondContact CB-O 3.35Å; V11-F58 WeakPolarHBondContact O-CD2 3.5Å; V11-F58 PolarHBondContact O-N 3.34Å; I13-F58 HydrophobicContact CB-CE2 4.27Å; I13-F58 HydrophobicContact CD1-CE2 3.72Å; I13-F58 HydrophobicContact CD1-CZ 4.26Å; I13-F58 HydrophobicContact CG1-CE2 4.05Å; F36-F58 HydrophobicContact CB-CE1 4.45Å; F36-F58 HydrophobicContact CB-CZ 4.27Å; F36-F58 AromaticContact CD1-CZ 3.94Å; F36-F58 HydrophobicContact CD1-CZ 3.94Å; D40-F58 HydrophobicContact CB-CD1 3.82Å; V43-F58 HydrophobicContact CG2-CD1 4.29Å; V43-F58 HydrophobicContact CG2-CE1 4.22Å; V43-F58 HydrophobicContact CG2-CZ 4.41Å; I56-F58 HydrophobicContact CB-CE2 4.15Å; I56-F58 HydrophobicContact CG2-CD2 4.2Å; I56-F58 HydrophobicContact CG2-CE2 3.47Å; I56-F58 VanDerWaalsContact CG2-CE2 3.47Å; I56-F58 HydrophobicContact CG2-CZ 3.71Å; F58-A63 HydrophobicContact CD1-CB 4.06Å; F58-A64 HydrophobicContact CB-CB 4.08Å; F58-A64 HydrophobicContact CD2-CB 3.53Å; F58-A64 HydrophobicContact CE2-CB 4.11Å; F58-A64 HydrophobicContact CG-CB 3.81Å; F58-A67 HydrophobicContact CE1-CB 3.88Å; F58-A67 HydrophobicContact CZ-CB 3.68Å
59S93.6Very high94.8Very high72 Ų7266.2 Ų66.250%0.50332%0.321SS..SBendtrans-74.4-31.2171.665.20000112.4D40D40-S59 VanDerWaalsContact CG-OG 3.22Å; D40-S59 PolarHBondContact OD1-OG 2.86Å; D40-S59 VanDerWaalsContact OD2-CB 3.26Å; D40-S59 WeakPolarHBondContact OD2-CB 3.37Å; D40-S59 PolarHBondContact OD2-N 2.93Å; D40-S59 PolarHBondContact OD2-OG 3.09Å
60T92.3Very high94.9Very high57 Ų5766.8 Ų66.835%0.3533%0.326SS..  trans-131.9143.2-175.459.50000112.4E62 A63 A64T60-E62 VanDerWaalsContact C-N 3.26Å; T60-E62 WeakPolarHBondContact CB-OE2 3.48Å; T60-E62 PolarHBondContact O-N 2.79Å; T60-A63 PolarHBondContact O-N 2.82Å; T60-A63 VanDerWaalsContact OG1-CB 3.25Å; T60-A63 WeakPolarHBondContact OG1-CB 3.5Å; T60-A63 PolarHBondContact OG1-N 2.95Å; T60-A64 PolarHBondContact O-N 3.04Å
61P92.3Very high95Very high28 Ų2861.9 Ų61.918%0.18229%0.29CS..Hα-helixtrans-67.9-28.417926.5-33000111.8M10 V11 A64 A65M10-P61 HydrophobicContact CB-CB 3.92Å; V11-P61 HydrophobicContact CG1-CB 4.13Å; V11-P61 HydrophobicContact CG1-CG 4.48Å; P61-A64 PolarHBondContact O-N 2.82Å; P61-A65 VanDerWaalsContact O-CB 3.32Å; P61-A65 WeakPolarHBondContact O-CB 3.41Å; P61-A65 PolarHBondContact O-N 2.8Å
62E93.3Very high95.2Very high122 Ų12257 Ų5757%0.5727%0.269SS*.Hα-helixtrans-65.9-40.2175.9-61.276-165.300111.6T60 R66T60-E62 VanDerWaalsContact C-N 3.26Å; T60-E62 WeakPolarHBondContact CB-OE2 3.48Å; T60-E62 PolarHBondContact O-N 2.79Å; E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 2.84Å
63A95Very high95.2Very high2 Ų258.8 Ų58.82%0.01728%0.281CS..Hα-helixtrans-65.3-45.7175.400000111.4D40 F58 T60 A65 R66 A67D40-A63 HydrophobicContact CB-CB 4.13Å; F58-A63 HydrophobicContact CD1-CB 4.06Å; T60-A63 PolarHBondContact O-N 2.82Å; T60-A63 VanDerWaalsContact OG1-CB 3.25Å; T60-A63 WeakPolarHBondContact OG1-CB 3.5Å; T60-A63 PolarHBondContact OG1-N 2.95Å; A63-A65 PolarHBondContact O-N 2.84Å; A63-R66 PolarHBondContact O-N 3.39Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.37Å
64A94.7Very high95.1Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-59.5-47175.300000111.5M10 I13 F58 T60 P61 R66 A67 R68 F85M10-A64 WeakPolarHBondContact O-CB 3.17Å; I13-A64 HydrophobicContact CD1-CB 4.27Å; I13-A64 VanDerWaalsContact CD1-O 3.3Å; I13-A64 WeakPolarHBondContact CD1-O 3.44Å; I13-A64 HydrophobicContact CG1-CB 4.43Å; F58-A64 HydrophobicContact CB-CB 4.08Å; F58-A64 HydrophobicContact CD2-CB 3.53Å; F58-A64 HydrophobicContact CE2-CB 4.11Å; F58-A64 HydrophobicContact CG-CB 3.81Å; T60-A64 PolarHBondContact O-N 3.04Å; P61-A64 PolarHBondContact O-N 2.82Å; A64-R66 PolarHBondContact O-N 3.24Å; A64-A67 PolarHBondContact O-N 3.48Å; A64-R68 WeakPolarHBondContact O-CB 3.39Å; A64-R68 PolarHBondContact O-N 3.33Å; A64-F85 HydrophobicContact CB-CE1 4.06Å
65A94.3Very high95Very high35 Ų3561.8 Ų61.829%0.28931%0.305SS..Hα-helixtrans-59.2-46.1178.100000112.6P61 A63 R68 I69 F85P61-A65 VanDerWaalsContact O-CB 3.32Å; P61-A65 WeakPolarHBondContact O-CB 3.41Å; P61-A65 PolarHBondContact O-N 2.8Å; A63-A65 PolarHBondContact O-N 2.84Å; A65-R68 PolarHBondContact O-N 3.41Å; A65-I69 WeakPolarHBondContact O-CD1 3Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.3Å; A65-I69 PolarHBondContact O-N 3.31Å; A65-F85 HydrophobicContact CB-CZ 4.35Å
66R95.4Very high94.8Very high133 Ų13359 Ų5950%0.50230%0.295SS..Hα-helixtrans-61.8-49.7176.1-73.8-171.7-59.9123.60.6111.9Y39 E62 A63 A64 R68 I69 E70Y39-R66 HydrophobicContact CD1-CB 4.04Å; Y39-R66 HydrophobicContact CE1-CB 4.32Å; Y39-R66 PolarHBondContact O-NH2 3.44Å; E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 2.84Å; A63-R66 PolarHBondContact O-N 3.39Å; A64-R66 PolarHBondContact O-N 3.24Å; R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 2.88Å; R66-I69 PolarHBondContact O-N 3.43Å; R66-E70 PolarHBondContact O-N 3.25Å
67A96.3Very high94.5Very high0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-56.8-42.5178.400000111.3F36 Y39 F58 A63 A64 L71F36-A67 HydrophobicContact CD1-CB 4.46Å; Y39-A67 HydrophobicContact CD1-CB 4.14Å; Y39-A67 HydrophobicContact CD2-CB 3.69Å; Y39-A67 HydrophobicContact CE2-CB 4.1Å; Y39-A67 HydrophobicContact CG-CB 3.72Å; F58-A67 HydrophobicContact CE1-CB 3.88Å; F58-A67 HydrophobicContact CZ-CB 3.68Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.37Å; A64-A67 PolarHBondContact O-N 3.48Å; A67-L71 WeakPolarHBondContact O-CB 3.32Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 2.99Å
68R95.6Very high94.2Very high79 Ų7964.3 Ų64.330%0.29834%0.337SS..Hα-helixtrans-64.4-50176.2-172.6178.6168.8-98.1-4.3112.1I13 A64 A65 R66 E70 H72 L83 F85I13-R68 HydrophobicContact CD1-CB 3.75Å; A64-R68 WeakPolarHBondContact O-CB 3.39Å; A64-R68 PolarHBondContact O-N 3.33Å; A65-R68 PolarHBondContact O-N 3.41Å; R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 2.88Å; R68-E70 VanDerWaalsContact C-N 3.26Å; R68-E70 PolarHBondContact O-N 3.38Å; R68-H72 HydrophobicContact CG-CB 4.48Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.45Å; R68-L83 HydrophobicContact CG-CB 4.34Å; R68-L83 PolarHBondContact NE-O 3.21Å; R68-F85 HydrophobicContact CB-CZ 4.43Å
69I95.1Very high94Very high137 Ų13768.1 Ų68.170%0.70335%0.354SS*.Hα-helixtrans-59.9-40.4-176.1-71.6164.9000110.8A65 R66A65-I69 WeakPolarHBondContact O-CD1 3Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.3Å; A65-I69 PolarHBondContact O-N 3.31Å; R66-I69 PolarHBondContact O-N 3.43Å
70E95.8Very high94.1Very high133 Ų13371.5 Ų71.562%0.62136%0.36SS*.Hα-helixtrans-85.4-38.3-174.6-168.4171.4-176.200113.4Y39 R66 R68Y39-E70 VanDerWaalsContact CE1-OE2 3.22Å; Y39-E70 WeakPolarHBondContact CE1-OE2 3.33Å; Y39-E70 WeakPolarHBondContact OH-CB 3.26Å; Y39-E70 WeakPolarHBondContact OH-CG 3.35Å; Y39-E70 PolarHBondContact OH-OE2 2.92Å; R66-E70 PolarHBondContact O-N 3.25Å; R68-E70 VanDerWaalsContact C-N 3.26Å; R68-E70 PolarHBondContact O-N 3.38Å
71L96.3Very high94.3Very high16 Ų1669.2 Ų69.28%0.08435%0.345CS..Hα-helixtrans-94.1-17-175-59.6175.6000114L35 F36 Y39 A67 E73 S74 L83L35-L71 HydrophobicContact CB-CD1 4.16Å; F36-L71 HydrophobicContact CD1-CD1 3.68Å; F36-L71 HydrophobicContact CE1-CD1 3.53Å; F36-L71 HydrophobicContact CG-CD1 4.39Å; F36-L71 HydrophobicContact CZ-CD1 4.09Å; Y39-L71 HydrophobicContact CE2-CD1 3.76Å; Y39-L71 HydrophobicContact CE2-CG 4.1Å; A67-L71 WeakPolarHBondContact O-CB 3.32Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 2.99Å; L71-E73 PolarHBondContact O-N 2.95Å; L71-S74 WeakPolarHBondContact O-CB 3.49Å; L71-S74 PolarHBondContact O-N 3.19Å; L71-S74 PolarHBondContact O-OG 3.36Å; L71-L83 HydrophobicContact CB-CD1 3.7Å
72H96.4Very high94.5Very high48 Ų4871.1 Ų71.122%0.22235%0.35CS..THydrogen-bonded Turntrans-65.7134.3179-171.743000111.1R68 S74 L81 L83R68-H72 HydrophobicContact CG-CB 4.48Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.45Å; H72-S74 PolarHBondContact O-N 3.02Å; H72-S74 VanDerWaalsContact O-N 3.11Å; H72-L81 PolarHBondContact ND1-O 2.81Å; H72-L83 HydrophobicContact CB-CB 4.28Å; H72-L83 PolarHBondContact CE1-N 3.39Å; H72-L83 PolarHBondContact ND1-N 3.28Å
73E94.9Very high94.6Very high124 Ų12465.3 Ų65.358%0.57932%0.323SS*.THydrogen-bonded Turntrans63.52.4-174.2-51.7-165.7157.500116.1L71 L81L71-E73 PolarHBondContact O-N 2.95Å; E73-L81 WeakPolarHBondContact CA-O 3.42Å; E73-L81 PolarHBondContact N-O 3.09Å
74S95.1Very high94.6Very high37 Ų3770.3 Ų70.326%0.25934%0.343SS..  trans-66.7155.2170.272.30000111.4L71 H72 K80 L81L71-S74 WeakPolarHBondContact O-CB 3.49Å; L71-S74 PolarHBondContact O-N 3.19Å; L71-S74 PolarHBondContact O-OG 3.36Å; H72-S74 PolarHBondContact O-N 3.02Å; H72-S74 VanDerWaalsContact O-N 3.11Å; S74-K80 CarbonylContact O-C 3.5Å; S74-K80 WeakPolarHBondContact O-CA 3.31Å; S74-L81 PolarHBondContact O-N 3.26Å
75E94.1Very high94.5Very high154 Ų15473.4 Ų73.472%0.7236%0.356SS*.EExtended strand (participates in β ladder)trans-86.4125.6-179.2-167.7-179.8146.300111.5G78E75-G78 WeakPolarHBondContact OE1-CA 3.48Å
76F93.3Very high94.3Very high28 Ų2872.6 Ų72.612%0.12335%0.349CS..EExtended strand (participates in β ladder)trans-131.5120.8170.6-179-97.3000109.4V22 M28 F32 L35 G78 K79 L81V22-F76 HydrophobicContact CG2-CE1 3.62Å; V22-F76 HydrophobicContact CG2-CZ 4.31Å; M28-F76 HydrophobicContact CE-CE1 4.07Å; M28-F76 HydrophobicContact CE-CZ 3.97Å; F32-F76 HydrophobicContact CB-CE1 4.19Å; F32-F76 HydrophobicContact CB-CE2 4.37Å; F32-F76 HydrophobicContact CB-CZ 3.72Å; F32-F76 HydrophobicContact CD2-CD1 4.2Å; F32-F76 AromaticContact CD2-CE1 3.91Å; F32-F76 HydrophobicContact CD2-CE1 3.91Å; F32-F76 HydrophobicContact CD2-CZ 4.11Å; F32-F76 HydrophobicContact CG-CZ 4.43Å; L35-F76 HydrophobicContact CD1-CD2 3.62Å; L35-F76 HydrophobicContact CD1-CE2 3.94Å; L35-F76 HydrophobicContact CD1-CG 4.37Å; F76-G78 VanDerWaalsContact C-N 3.28Å; F76-G78 PolarHBondContact O-N 2.87Å; F76-K79 PolarHBondContact N-O 3.31Å; F76-K79 PolarHBondContact O-N 2.71Å; F76-L81 HydrophobicContact CB-CD1 4.01Å; F76-L81 HydrophobicContact CB-CD2 3.87Å; F76-L81 HydrophobicContact CB-CG 3.82Å; F76-L81 HydrophobicContact CD1-CD2 4.5Å; F76-L81 HydrophobicContact CG-CD2 4.41Å
77N90.2Very high93.6Very high76 Ų7674.7 Ų74.741%0.40637%0.365SS..THydrogen-bonded Turntrans53.940.2-177.9-151.942.6000113.8D19 E21 M28 K79D19-N77 PolarHBondContact OD2-ND2 2.95Å; D19-N77 VanDerWaalsContact OD2-ND2 3.15Å; E21-N77 PolarHBondContact OE2-ND2 3.48Å; M28-N77 HydrophobicContact CE-CB 4Å; N77-K79 PolarHBondContact O-N 2.73Å
78G89.8Confident92.2Very high59 Ų5977.6 Ų77.661%0.60838%0.38SS*.THydrogen-bonded Turntrans74.47-178.100000115E75 F76E75-G78 WeakPolarHBondContact OE1-CA 3.48Å; F76-G78 VanDerWaalsContact C-N 3.28Å; F76-G78 PolarHBondContact O-N 2.87Å
79K90.9Very high90.5Very high90 Ų9082.3 Ų82.339%0.39141%0.405SS..EExtended strand (participates in β ladder)trans-124.4145.3178.6-68.6174.3-174.6149.30110.9D19 F76 N77D19-K79 HydrophobicContact CB-CD 4.49Å; D19-K79 IonicContact OD1-NZ 2.8Å; D19-K79 IonicContact OD2-NZ 3.8Å; D19-K79 PolarHBondContact OD2-NZ 3.33Å; F76-K79 PolarHBondContact N-O 3.31Å; F76-K79 PolarHBondContact O-N 2.71Å; N77-K79 PolarHBondContact O-N 2.73Å
80K94.9Very high88.5Confident144 Ų14480.4 Ų80.463%0.62640%0.397SS*.EExtended strand (participates in β ladder)trans-77133.8176-68.4-169.9173-1670111.6S74S74-K80 CarbonylContact O-C 3.5Å; S74-K80 WeakPolarHBondContact O-CA 3.31Å
81L96.1Very high86.4Confident9 Ų976.1 Ų76.15%0.04739%0.388CS..  trans-75.9123.6175.8-69.1179.2000111.8F32 L35 H72 E73 S74 F76 L83F32-L81 HydrophobicContact CE2-CD2 3.96Å; L35-L81 HydrophobicContact CD1-CD1 4.18Å; H72-L81 PolarHBondContact ND1-O 2.81Å; E73-L81 WeakPolarHBondContact CA-O 3.42Å; E73-L81 PolarHBondContact N-O 3.09Å; S74-L81 PolarHBondContact O-N 3.26Å; F76-L81 HydrophobicContact CB-CD1 4.01Å; F76-L81 HydrophobicContact CB-CD2 3.87Å; F76-L81 HydrophobicContact CB-CG 3.82Å; F76-L81 HydrophobicContact CD1-CD2 4.5Å; F76-L81 HydrophobicContact CG-CD2 4.41Å; L81-L83 HydrophobicContact CB-CG 4.42Å
82K96.5Very high84.5Confident67 Ų6780 Ų8029%0.29141%0.408SS..EExtended strand (participates in β ladder)trans-102.3110.5174.6-67.9177174.3170.90109.5A15 C16 E17 Y84A15-K82 CarbonylContact C-O 3.56Å; A15-K82 WeakPolarHBondContact CA-O 3.32Å; C16-K82 HydrophobicContact CB-CB 4.05Å; C16-K82 PolarHBondContact N-O 2.74Å; E17-K82 HydrophobicContact CG-CD 4.41Å; E17-K82 IonicContact OE1-NZ 2.71Å; E17-K82 PolarHBondContact OE1-NZ 3.34Å; E17-K82 WeakPolarHBondContact OE2-CE 3.44Å; E17-K82 IonicContact OE2-NZ 2.69Å; E17-K82 PolarHBondContact OE2-NZ 3.42Å; K82-Y84 HydrophobicContact CB-CE2 3.8Å
83L96.5Very high82.5Confident0 Ų086.4 Ų86.40%044%0.439CS..EExtended strand (participates in β ladder)trans-121.9120.5-171.7-58.6-176.5000110.3I13 A15 F36 R68 L71 H72 L81I13-L83 HydrophobicContact CG2-CB 3.86Å; I13-L83 HydrophobicContact CG2-CD2 4.1Å; I13-L83 HydrophobicContact CG2-CG 4.43Å; A15-L83 HydrophobicContact CB-CD2 3.56Å; F36-L83 HydrophobicContact CE1-CD1 4Å; F36-L83 HydrophobicContact CE1-CD2 4.33Å; F36-L83 HydrophobicContact CZ-CD1 4.33Å; F36-L83 HydrophobicContact CZ-CD2 4.1Å; R68-L83 HydrophobicContact CG-CB 4.34Å; R68-L83 PolarHBondContact NE-O 3.21Å; L71-L83 HydrophobicContact CB-CD1 3.7Å; H72-L83 HydrophobicContact CB-CB 4.28Å; H72-L83 PolarHBondContact CE1-N 3.39Å; H72-L83 PolarHBondContact ND1-N 3.28Å; L81-L83 HydrophobicContact CB-CG 4.42Å
84Y94.8Very high80.4Confident108 Ų10888.2 Ų88.242%0.42445%0.452SS..EExtended strand (participates in β ladder)trans-125.2143.1-178.1-55.1-78.4000110.1I13 I14 C16 K82I13-Y84 CarbonylContact C-O 3.52Å; I13-Y84 WeakPolarHBondContact CA-O 3.41Å; I14-Y84 PolarHBondContact N-O 3.46Å; I14-Y84 PolarHBondContact O-N 3.23Å; C16-Y84 HydrophobicContact CB-CD2 4.29Å; C16-Y84 HydrophobicContact CB-CE2 3.98Å; K82-Y84 HydrophobicContact CB-CE2 3.8Å
85F93.3Very high78.4Confident65 Ų6590.9 Ų90.929%0.28546%0.463SS..EExtended strand (participates in β ladder)trans-65.7139.9167.9-75.3-68.9000109.9M10 T12 I13 A64 A65 R68 Q87M10-F85 HydrophobicContact CB-CE1 4.32Å; M10-F85 VanDerWaalsContact O-CE1 3.31Å; M10-F85 WeakPolarHBondContact O-CE1 3.47Å; T12-F85 WeakPolarHBondContact O-CA 3.25Å; I13-F85 HydrophobicContact CG1-CD1 4.13Å; I13-F85 HydrophobicContact CG1-CE1 4.14Å; A64-F85 HydrophobicContact CB-CE1 4.06Å; A65-F85 HydrophobicContact CB-CZ 4.35Å; R68-F85 HydrophobicContact CB-CZ 4.43Å; F85-Q87 PolarHBondContact O-N 3.3Å
86A89.9Confident76.6Confident18 Ų1889.3 Ų89.315%0.14946%0.459CS..  trans-70.7119.2174.800000109.4T12 I14 I88T12-A86 HydrophobicContact CG2-CB 3.59Å; T12-A86 PolarHBondContact O-N 3.25Å; I14-A86 HydrophobicContact CD1-CB 4.07Å; I14-A86 HydrophobicContact CG1-CB 3.94Å; A86-I88 PolarHBondContact O-N 3.45Å
87Q79.8Confident74.8Confident177 Ų17797.8 Ų97.883%0.82750%0.496SS*.  trans-75.9107.7170.3-170.4177.4-6.400108.3F85 Q89F85-Q87 PolarHBondContact O-N 3.3Å; Q87-Q89 PolarHBondContact O-N 3.41Å
88I67.3Low73.6Confident61 Ų6199.4 Ų99.431%0.31351%0.513SS..  trans-80.1114.1172.6-51.5178.4000106.3A86 N90A86-I88 PolarHBondContact O-N 3.45Å; I88-N90 HydrophobicContact CG2-CB 4.13Å; I88-N90 WeakPolarHBondContact CG2-ND2 3.48Å; I88-N90 WeakPolarHBondContact CG2-OD1 3.5Å; I88-N90 PolarHBondContact O-N 3.04Å
89Q59Low72.8Confident177 Ų177105.4 Ų105.483%0.82752%0.519SS*.  trans-76.859.2169.8-63.1-176.316.600109.5Q87 G91Q87-Q89 PolarHBondContact O-N 3.41Å; Q89-G91 VanDerWaalsContact C-N 3.31Å; Q89-G91 PolarHBondContact O-N 3.11Å
90N53.9Low72.3Confident98 Ų98109.2 Ų109.252%0.52454%0.543SS..  trans-85.991.2160.3-70-10000104.4I88 D92I88-N90 HydrophobicContact CG2-CB 4.13Å; I88-N90 WeakPolarHBondContact CG2-ND2 3.48Å; I88-N90 WeakPolarHBondContact CG2-OD1 3.5Å; I88-N90 PolarHBondContact O-N 3.04Å; N90-D92 PolarHBondContact O-N 2.82Å
91G51.6Low71.4Confident43 Ų43106.5 Ų106.544%0.44355%0.547SS..  trans-61.1108.6178.100000109.5Q89Q89-G91 VanDerWaalsContact C-N 3.31Å; Q89-G91 PolarHBondContact O-N 3.11Å
92D57.1Low70.5Confident96 Ų96111.6 Ų111.651%0.51358%0.58SS.*  trans-141.59.9176.2-139.44.7000113.5N90N90-D92 PolarHBondContact O-N 2.82Å
93E54.3Low69.6Low184 Ų184114 Ų11486%0.8660%0.603SS**SBendtrans-128.8-7.5175.5-64.5-165.516600115.8
94D50.3Low68.6Low161 Ų161122.5 Ų122.586%0.86164%0.643SS**SBendtrans-150.64.4174.8-134.6-0.1000116D96D94-D96 VanDerWaalsContact C-N 3.35Å
95I52.5Low67.5Low94 Ų94123.6 Ų123.648%0.48266%0.663SS.*SBendtrans-94.71.1178.4-65.1-174.1000111K97 Y99I95-K97 PolarHBondContact O-N 3.01Å; I95-Y99 HydrophobicContact CG2-CD2 3.8Å; I95-Y99 HydrophobicContact CG2-CE2 3.32Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å
96D56.5Low66.3Low121 Ų121126.3 Ų126.365%0.64769%0.685SS**THydrogen-bonded Turntrans-100.836.2-149.4-146.529.2000115.9D94D94-D96 VanDerWaalsContact C-N 3.35Å
97K55.8Low65Low206 Ų206132.8 Ų132.890%0.89671%0.709SS**THydrogen-bonded Turntrans-137.21.6169.1-68.5-167.5-176.7-174.10116.3I95I95-K97 PolarHBondContact O-N 3.01Å
98S64.2Low64.1Low109 Ų109131.3 Ų131.376%0.76270%0.703SS**SBendtrans-115.9-7.4-173.3-53.80000114.9
99Y74.2Confident63.7Low185 Ų185131.4 Ų131.473%0.72570%0.701SS**SBendtrans-105.2143.8-179.9-59.3-84.6000110.7I95I95-Y99 HydrophobicContact CG2-CD2 3.8Å; I95-Y99 HydrophobicContact CG2-CE2 3.32Å; I95-Y99 WeakPolarHBondContact O-CD2 3.35Å
100L80.1Confident63.8Low171 Ų171129.4 Ų129.490%0.89570%0.695SS**PPolyproline II helixtrans-62.7137170.4-67.6172.7000108.9
101A75.3Confident64.1Low86 Ų86130.6 Ų130.671%0.71170%0.7SS**PPolyproline II helixtrans-56.4142.4173.500000110.2
102P77.6Confident63.9Low116 Ų116134 Ų13475%0.75372%0.717SS**PPolyproline II helixtrans-49.4142169.3-25.733.8000110.2Q104P102-Q104 PolarHBondContact O-N 3.07Å
103P77.8Confident64.2Low118 Ų118134.9 Ų134.977%0.76673%0.728SS**PPolyproline II helixtrans-56.8141.1178.925.2-33.8000109.5
104Q75.3Confident64.2Low178 Ų178132.1 Ų132.183%0.83273%0.726SS**PPolyproline II helixtrans-56.3127.2177.2-68.1-177.11000108.6P102 V106P102-Q104 PolarHBondContact O-N 3.07Å; Q104-V106 PolarHBondContact O-N 3.01Å
105P71.9Confident64.1Low132 Ų132128 Ų12886%0.85771%0.714SS**  trans-57.9113.8178.320.7-29.7000108.4
106V68.1Low64.4Low121 Ų121128.9 Ų128.973%0.73373%0.729SS**  trans-68.9148.8177.3-67.50000109.4Q104 Q108Q104-V106 PolarHBondContact O-N 3.01Å; V106-Q108 PolarHBondContact O-N 3.1Å
107K63.1Low64.8Low154 Ų154126 Ų12667%0.6772%0.717SS**  trans-55.894.2-179.2-77.7172.1162.5-175.80111.9F109K107-F109 HydrophobicContact CB-CD2 3.56Å; K107-F109 HydrophobicContact CB-CE2 3.53Å; K107-F109 HydrophobicContact CB-CG 4.5Å; K107-F109 HydrophobicContact CB-CZ 4.42Å; K107-F109 HydrophobicContact CD-CD2 4.13Å; K107-F109 HydrophobicContact CD-CE2 3.47Å; K107-F109 VanDerWaalsContact CD-CE2 3.47Å; K107-F109 HydrophobicContact CD-CZ 4.42Å; K107-F109 HydrophobicContact CG-CD2 3.94Å; K107-F109 HydrophobicContact CG-CE2 3.33Å; K107-F109 HydrophobicContact CG-CZ 4.05Å; K107-F109 PolarHBondContact O-N 3.15Å
108Q60.3Low65.5Low146 Ų146119.8 Ų119.868%0.68270%0.698SS**  trans-81.547.3174.7-71.3-178.7-20.800112.1V106 L110 I111V106-Q108 PolarHBondContact O-N 3.1Å; Q108-L110 PolarHBondContact O-N 2.87Å; Q108-I111 HydrophobicContact CB-CD1 4.37Å; Q108-I111 HydrophobicContact CB-CG1 4.38Å; Q108-I111 HydrophobicContact CG-CD1 4.38Å
109F58.6Low65.9Low63 Ų63122.2 Ų122.228%0.27671%0.708SS.*THydrogen-bonded Turntrans-73-3.5-179.8-64.1-57.3000114.2K107 P117 P118 W121K107-F109 HydrophobicContact CB-CD2 3.56Å; K107-F109 HydrophobicContact CB-CE2 3.53Å; K107-F109 HydrophobicContact CB-CG 4.5Å; K107-F109 HydrophobicContact CB-CZ 4.42Å; K107-F109 HydrophobicContact CD-CD2 4.13Å; K107-F109 HydrophobicContact CD-CE2 3.47Å; K107-F109 VanDerWaalsContact CD-CE2 3.47Å; K107-F109 HydrophobicContact CD-CZ 4.42Å; K107-F109 HydrophobicContact CG-CD2 3.94Å; K107-F109 HydrophobicContact CG-CE2 3.33Å; K107-F109 HydrophobicContact CG-CZ 4.05Å; K107-F109 PolarHBondContact O-N 3.15Å; F109-P117 HydrophobicContact CD1-CB 4.38Å; F109-P118 HydrophobicContact CZ-CG 4.36Å; F109-W121 HydrophobicContact CB-CZ2 4.37Å
110L61.9Low65.8Low135 Ų135117.2 Ų117.271%0.70771%0.712SS**THydrogen-bonded Turntrans-100.71.9-176.4-62.2179.6000114Q108Q108-L110 PolarHBondContact O-N 2.87Å
111I60Low65.4Low124 Ų124113.7 Ų113.764%0.63669%0.687SS**SBendtrans-123.799.5178.1-1.9176.6000107.9Q108Q108-I111 HydrophobicContact CB-CD1 4.37Å; Q108-I111 HydrophobicContact CB-CG1 4.38Å; Q108-I111 HydrophobicContact CG-CD1 4.38Å
112S46.8Very low65.2Low113 Ų113114.1 Ų114.179%0.7968%0.684SS**  trans-65.3150.1176.3520000112.5
113P64.5Low64.9Low115 Ų115114.4 Ų114.475%0.74768%0.676SS**SBendcis-130.2165.7-3237.8-22.3000113.2
114P54.5Low64.7Low127 Ų127113.8 Ų113.883%0.82567%0.674SS**SBendcis-137.5144.521.538.6-18.8000117.4
115A46.9Very low64.5Low73 Ų73114 Ų11460%0.60368%0.675SS**  trans-170118.6136.800000105.4
116S59.8Low64.4Low114 Ų114114.2 Ų114.280%0.79767%0.669SS**PPolyproline II helixtrans-54.9133.1175.3-55.80000108.6
117P64.8Low64.5Low61 Ų61113.2 Ų113.240%0.39667%0.674SS.*PPolyproline II helixtrans-56.5146.5174.822-30.8000109.5F109 W121F109-P117 HydrophobicContact CD1-CB 4.38Å; P117-W121 HydrophobicContact CB-CB 3.96Å; P117-W121 HydrophobicContact CB-CD2 3.73Å; P117-W121 HydrophobicContact CB-CE3 3.45Å; P117-W121 VanDerWaalsContact CB-CE3 3.45Å; P117-W121 HydrophobicContact CB-CG 3.97Å; P117-W121 HydrophobicContact CB-CZ3 4.21Å; P117-W121 HydrophobicContact CG-CE3 3.8Å; P117-W121 HydrophobicContact CG-CZ3 4.28Å
118P70.8Confident64.5Low75 Ų75110.9 Ų110.949%0.48767%0.672SS.*PPolyproline II helixtrans-55152-179.1-24.232.3000112.3F109 G120 W121F109-P118 HydrophobicContact CZ-CG 4.36Å; P118-G120 PolarHBondContact O-N 3.16Å; P118-G120 VanDerWaalsContact O-N 3.15Å; P118-W121 VanDerWaalsContact O-CB 3.32Å; P118-W121 WeakPolarHBondContact O-CB 3.32Å; P118-W121 PolarHBondContact O-N 3.33Å
119V71.1Confident64.9Low160 Ų160109.7 Ų109.797%0.9768%0.677SS**THydrogen-bonded Turntrans-53.9121.9173.9177.90000109.4
120G72.9Confident65.6Low79 Ų79113 Ų11381%0.81470%0.702SS**THydrogen-bonded Turntrans95.6-3.4-177.900000115.5P118 S122P118-G120 PolarHBondContact O-N 3.16Å; P118-G120 VanDerWaalsContact O-N 3.15Å; G120-S122 PolarHBondContact O-N 3.2Å
121W72.3Confident66.4Low98 Ų98112 Ų11237%0.37170%0.696SS.*  trans-74.4126.5170.2-173.486.4000110.2F109 P117 P118 Q123F109-W121 HydrophobicContact CB-CZ2 4.37Å; P117-W121 HydrophobicContact CB-CB 3.96Å; P117-W121 HydrophobicContact CB-CD2 3.73Å; P117-W121 HydrophobicContact CB-CE3 3.45Å; P117-W121 VanDerWaalsContact CB-CE3 3.45Å; P117-W121 HydrophobicContact CB-CG 3.97Å; P117-W121 HydrophobicContact CB-CZ3 4.21Å; P117-W121 HydrophobicContact CG-CE3 3.8Å; P117-W121 HydrophobicContact CG-CZ3 4.28Å; P118-W121 VanDerWaalsContact O-CB 3.32Å; P118-W121 WeakPolarHBondContact O-CB 3.32Å; P118-W121 PolarHBondContact O-N 3.33Å; W121-Q123 HydrophobicContact CH2-CB 4.03Å; W121-Q123 HydrophobicContact CZ3-CB 4.29Å
122S70.8Confident67.4Low94 Ų94109.5 Ų109.566%0.65768%0.684SS**  trans-121.8145.4167.148.40000108.1G120 S124G120-S122 PolarHBondContact O-N 3.2Å; S122-S124 PolarHBondContact O-N 3.06Å
123Q71.5Confident69.2Low123 Ų123112.5 Ų112.558%0.57568%0.68SS**PPolyproline II helixtrans-63.6127.2169-174.2173.45.900107.5W121 E125W121-Q123 HydrophobicContact CH2-CB 4.03Å; W121-Q123 HydrophobicContact CZ3-CB 4.29Å; Q123-E125 PolarHBondContact O-N 2.86Å
124S72.6Confident69.9Low105 Ų105113.1 Ų113.173%0.73468%0.677SS**PPolyproline II helixtrans-56.3136.7170-58.30000108.7S122 D126S122-S124 PolarHBondContact O-N 3.06Å; S124-D126 PolarHBondContact O-N 2.89Å
125E72.1Confident71.1Confident183 Ų183112.5 Ų112.586%0.85567%0.666SS**PPolyproline II helixtrans-57.9130.3172.8-70.2-168.2163.400109Q123 A127Q123-E125 PolarHBondContact O-N 2.86Å; E125-A127 PolarHBondContact O-N 3.3Å
126D68.6Low72.8Confident136 Ų136113.8 Ų113.873%0.72766%0.662SS**PPolyproline II helixtrans-55.3140.2169.6-84-24.4000108.4S124 T128S124-D126 PolarHBondContact O-N 2.89Å; D126-T128 PolarHBondContact O-N 3.03Å
127A70.2Confident73.8Confident100 Ų100111.2 Ų111.283%0.82664%0.643SS**  trans-55.7109.3176.400000108.6E125E125-A127 PolarHBondContact O-N 3.3Å
128T63.8Low74.4Confident105 Ų105110.6 Ų110.664%0.64464%0.644SS**  trans-62.6135.9171.6470000107.4D126 V130D126-T128 PolarHBondContact O-N 3.03Å; T128-V130 PolarHBondContact O-N 3.43Å
129P68.3Low74.9Confident121 Ų121111.7 Ų111.779%0.78665%0.649SS**  trans-60.6108.118023.8-32.1000108.4I131P129-I131 PolarHBondContact O-N 3.1Å; P129-I131 VanDerWaalsContact O-N 3.14Å
130V73Confident75.3Confident132 Ų132108.2 Ų108.280%0.864%0.636SS**  trans-68.9113175.6178.40000106.9T128 N132T128-V130 PolarHBondContact O-N 3.43Å; V130-N132 PolarHBondContact O-N 3.36Å
131I78.3Confident75.7Confident114 Ų114111.3 Ų111.359%0.58563%0.627SS**  trans-68.8103.5174.5-60.5172.1000107.5P129 Y133 L136P129-I131 PolarHBondContact O-N 3.1Å; P129-I131 VanDerWaalsContact O-N 3.14Å; I131-Y133 PolarHBondContact O-N 3.29Å; I131-L136 HydrophobicContact CG2-CD1 3.68Å
132N81.8Confident76Confident71 Ų71109.2 Ų109.238%0.3862%0.624SS.*  trans-85.8106.6176.1-174.1-30.3000109.6V130 D134 L135 L136V130-N132 PolarHBondContact O-N 3.36Å; N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 3.12Å; N132-D134 WeakPolarHBondContact OD1-CA 3.43Å; N132-D134 VanDerWaalsContact OD1-CB 3.31Å; N132-D134 WeakPolarHBondContact OD1-CB 3.49Å; N132-D134 PolarHBondContact OD1-N 3.38Å; N132-L135 HydrophobicContact CB-CB 4.21Å; N132-L135 HydrophobicContact CB-CD1 3.87Å; N132-L135 HydrophobicContact CB-CG 3.92Å; N132-L135 PolarHBondContact O-N 2.86Å; N132-L135 PolarHBondContact OD1-N 3.45Å; N132-L136 PolarHBondContact O-N 3.28Å
133Y84.3Confident76.2Confident176 Ų176105.6 Ų105.669%0.6960%0.601SS**Hα-helixtrans-64.8-26.8-179.8-67.6-81.8000113.5I131 L136 C137I131-Y133 PolarHBondContact O-N 3.29Å; Y133-L136 HydrophobicContact CD1-CD1 4.19Å; Y133-L136 PolarHBondContact O-N 3.42Å; Y133-C137 WeakPolarHBondContact O-CB 3.43Å; Y133-C137 PolarHBondContact O-N 2.95Å
134D80.6Confident76.2Confident128 Ų128104.3 Ų104.368%0.68460%0.603SS**Hα-helixtrans-69.6-39.1176.2-60.9-29.7000110.7N132 C137 A138N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 3.12Å; N132-D134 WeakPolarHBondContact OD1-CA 3.43Å; N132-D134 VanDerWaalsContact OD1-CB 3.31Å; N132-D134 WeakPolarHBondContact OD1-CB 3.49Å; N132-D134 PolarHBondContact OD1-N 3.38Å; D134-C137 PolarHBondContact O-N 3.5Å; D134-A138 VanDerWaalsContact O-CB 3.3Å; D134-A138 WeakPolarHBondContact O-CB 3.37Å; D134-A138 PolarHBondContact O-N 3.15Å
135L79.8Confident75.9Confident114 Ų114101.4 Ų101.460%0.59759%0.59SS**Hα-helixtrans-64.8-41.3173.3-64.7-178.5000111.2N132 C137 A138 V139N132-L135 HydrophobicContact CB-CB 4.21Å; N132-L135 HydrophobicContact CB-CD1 3.87Å; N132-L135 HydrophobicContact CB-CG 3.92Å; N132-L135 PolarHBondContact O-N 2.86Å; N132-L135 PolarHBondContact OD1-N 3.45Å; L135-C137 PolarHBondContact O-N 2.96Å; L135-A138 PolarHBondContact O-N 3.26Å; L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 VanDerWaalsContact O-CG2 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.48Å
136L81.5Confident75.8Confident100 Ų10097.9 Ų97.952%0.52457%0.573SS.*Hα-helixtrans-61-44.3175.2-69.4174.7000111.7I131 N132 Y133 V139 A140I131-L136 HydrophobicContact CG2-CD1 3.68Å; N132-L136 PolarHBondContact O-N 3.28Å; Y133-L136 HydrophobicContact CD1-CD1 4.19Å; Y133-L136 PolarHBondContact O-N 3.42Å; L136-V139 PolarHBondContact O-N 3.36Å; L136-A140 VanDerWaalsContact O-CB 3.29Å; L136-A140 WeakPolarHBondContact O-CB 3.47Å; L136-A140 PolarHBondContact O-N 3.13Å
137C80.4Confident75.9Confident60 Ų6098.7 Ų98.741%0.40557%0.57SS.*Hα-helixtrans-65.5-41.3176.7-174.20000111.9Y133 D134 L135 A140 K141Y133-C137 WeakPolarHBondContact O-CB 3.43Å; Y133-C137 PolarHBondContact O-N 2.95Å; D134-C137 PolarHBondContact O-N 3.5Å; L135-C137 PolarHBondContact O-N 2.96Å; C137-A140 PolarHBondContact O-N 3.33Å; C137-K141 VanDerWaalsContact O-CG 3.29Å; C137-K141 WeakPolarHBondContact O-CG 3.09Å; C137-K141 PolarHBondContact O-N 3.4Å; C137-K141 VanDerWaalsContact SG-CE 3.54Å
138A78.8Confident76.1Confident49 Ų4996.6 Ų96.641%0.40554%0.542SS..Hα-helixtrans-62.5-47.1176.300000111.2D134 L135 A140 K141 L142D134-A138 VanDerWaalsContact O-CB 3.3Å; D134-A138 WeakPolarHBondContact O-CB 3.37Å; D134-A138 PolarHBondContact O-N 3.15Å; L135-A138 PolarHBondContact O-N 3.26Å; A138-A140 PolarHBondContact O-N 3.24Å; A138-K141 PolarHBondContact O-N 3.11Å; A138-L142 WeakPolarHBondContact O-CG 3.2Å; A138-L142 PolarHBondContact O-N 3.15Å
139V79.6Confident76.9Confident98 Ų9897.1 Ų97.159%0.59454%0.537SS*.Hα-helixtrans-63.3-41.2177172.70000111.3L135 L136 K141 L142L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 VanDerWaalsContact O-CG2 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.48Å; L136-V139 PolarHBondContact O-N 3.36Å; V139-K141 PolarHBondContact O-N 3.05Å; V139-L142 WeakPolarHBondContact O-CB 3.24Å; V139-L142 PolarHBondContact O-N 3.05Å; V139-L142 VanDerWaalsContact O-N 3.13Å
140A81.1Confident77.2Confident86 Ų8697 Ų9771%0.71153%0.529SS*.Hα-helixtrans-66.4-24.8177.400000113.5L136 C137 A138 L142L136-A140 VanDerWaalsContact O-CB 3.29Å; L136-A140 WeakPolarHBondContact O-CB 3.47Å; L136-A140 PolarHBondContact O-N 3.13Å; C137-A140 PolarHBondContact O-N 3.33Å; A138-A140 PolarHBondContact O-N 3.24Å; A140-L142 VanDerWaalsContact C-N 3.34Å
141K80Confident77.5Confident144 Ų14496 Ų9663%0.62652%0.515SS*.Hα-helixtrans-78.5-18.2174.5-75.1170.1-178.1173.50113C137 A138 V139 G143 Y148C137-K141 VanDerWaalsContact O-CG 3.29Å; C137-K141 WeakPolarHBondContact O-CG 3.09Å; C137-K141 PolarHBondContact O-N 3.4Å; C137-K141 VanDerWaalsContact SG-CE 3.54Å; A138-K141 PolarHBondContact O-N 3.11Å; V139-K141 PolarHBondContact O-N 3.05Å; K141-G143 PolarHBondContact O-N 2.92Å; K141-Y148 PolarHBondContact O-OH 3.44Å
142L79.8Confident77.7Confident55 Ų5593.4 Ų93.429%0.28851%0.511SS..  trans-68.5104-179.1-62.2179.8000110.2A138 V139 A140 Y148 V162 V164A138-L142 WeakPolarHBondContact O-CG 3.2Å; A138-L142 PolarHBondContact O-N 3.15Å; V139-L142 WeakPolarHBondContact O-CB 3.24Å; V139-L142 PolarHBondContact O-N 3.05Å; V139-L142 VanDerWaalsContact O-N 3.13Å; A140-L142 VanDerWaalsContact C-N 3.34Å; L142-Y148 HydrophobicContact CB-CE2 4.21Å; L142-Y148 HydrophobicContact CD2-CD1 3.67Å; L142-Y148 HydrophobicContact CD2-CD2 3.29Å; L142-Y148 HydrophobicContact CD2-CE1 4.02Å; L142-Y148 HydrophobicContact CD2-CE2 3.67Å; L142-Y148 HydrophobicContact CD2-CG 3.27Å; L142-Y148 HydrophobicContact CG-CD2 4.47Å; L142-V162 HydrophobicContact CD1-CG1 4.43Å; L142-V164 HydrophobicContact CB-CG2 3.8Å
143G73.9Confident77.8Confident18 Ų1892 Ų9219%0.18651%0.512CS..  trans-76.5145172.700000112.6K141 G145 E146 Y148 V164K141-G143 PolarHBondContact O-N 2.92Å; G143-G145 PolarHBondContact O-N 3.38Å; G143-E146 PolarHBondContact O-N 3.18Å; G143-Y148 PolarHBondContact N-OH 3.42Å; G143-V164 WeakPolarHBondContact O-CB 3.43Å; G143-V164 WeakPolarHBondContact O-CG2 3.31Å
144P72Confident77.8Confident95 Ų9587.6 Ų87.662%0.61750%0.504SS*.THydrogen-bonded Turntrans-56.3136.3170.3-18.529.9000110.9E146 E166P144-E146 PolarHBondContact O-N 3.48Å; P144-E166 HydrophobicContact CB-CG 4.01Å
145G65.8Low77.9Confident44 Ų4491.8 Ų91.845%0.45452%0.52SS..THydrogen-bonded Turntrans80.3-9.317700000115.6G143 V164 E166G143-G145 PolarHBondContact O-N 3.38Å; G145-V164 PolarHBondContact N-O 3.5Å; G145-E166 WeakPolarHBondContact CA-OE1 3.34Å
146E69.5Low77.8Confident110 Ų11091.8 Ų91.851%0.51453%0.529SS..  trans-88.2141.7178.5-76.7-176149.900112.7G143 P144 Y148G143-E146 PolarHBondContact O-N 3.18Å; P144-E146 PolarHBondContact O-N 3.48Å; E146-Y148 HydrophobicContact CB-CD2 4.11Å; E146-Y148 HydrophobicContact CB-CE2 3.37Å; E146-Y148 WeakPolarHBondContact O-CD2 3.42Å; E146-Y148 PolarHBondContact OE2-OH 3.14Å
147K70.6Confident77.1Confident153 Ų15390 Ų9067%0.66552%0.522SS*.EExtended strand (participates in β ladder)trans-94.6117.4176.3-60.1-169.6-178.9-154.70109.1V161 H163K147-V161 HydrophobicContact CB-CG1 3.95Å; K147-H163 WeakPolarHBondContact CD-NE2 3.31Å; K147-H163 WeakPolarHBondContact CE-NE2 3.39Å; K147-H163 PolarHBondContact NZ-NE2 3.37Å
148Y76.2Confident77.2Confident56 Ų5692.4 Ų92.422%0.2254%0.537CS..EExtended strand (participates in β ladder)trans-106.8105.8179.3-70-92.3000109.9K141 L142 G143 E146 L150 V161 V162 V164K141-Y148 PolarHBondContact O-OH 3.44Å; L142-Y148 HydrophobicContact CB-CE2 4.21Å; L142-Y148 HydrophobicContact CD2-CD1 3.67Å; L142-Y148 HydrophobicContact CD2-CD2 3.29Å; L142-Y148 HydrophobicContact CD2-CE1 4.02Å; L142-Y148 HydrophobicContact CD2-CE2 3.67Å; L142-Y148 HydrophobicContact CD2-CG 3.27Å; L142-Y148 HydrophobicContact CG-CD2 4.47Å; G143-Y148 PolarHBondContact N-OH 3.42Å; E146-Y148 HydrophobicContact CB-CD2 4.11Å; E146-Y148 HydrophobicContact CB-CE2 3.37Å; E146-Y148 WeakPolarHBondContact O-CD2 3.42Å; E146-Y148 PolarHBondContact OE2-OH 3.14Å; Y148-L150 PolarHBondContact O-N 3.02Å; Y148-V161 CarbonylContact O-C 3.6Å; Y148-V161 WeakPolarHBondContact O-CA 3.48Å; Y148-V162 PolarHBondContact N-O 3.21Å; Y148-V162 PolarHBondContact O-N 3.06Å; Y148-V164 HydrophobicContact CD2-CG2 4.42Å; Y148-V164 HydrophobicContact CE2-CG2 4.47Å
149E79.4Confident77.5Confident115 Ų11592.5 Ų92.554%0.53754%0.535SS..EExtended strand (participates in β ladder)trans-74.4106.9173.4-173.7165.1-147.300109.3A152 S159 V161E149-A152 WeakPolarHBondContact OE1-CA 3.29Å; E149-S159 WeakPolarHBondContact OE1-CB 3.3Å; E149-S159 PolarHBondContact OE1-OG 2.92Å; E149-V161 HydrophobicContact CB-CG2 4.23Å; E149-V161 HydrophobicContact CG-CG2 4.18Å
150L75.8Confident77.7Confident118 Ų11891.5 Ų91.562%0.61853%0.529SS*.EExtended strand (participates in β ladder)trans-76.3-34.5176.7-67.5-179.6000111.2Y148 V160 V162Y148-L150 PolarHBondContact O-N 3.02Å; L150-V160 HydrophobicContact CB-CG1 4.33Å; L150-V160 HydrophobicContact CD1-CG1 4.28Å; L150-V160 PolarHBondContact N-O 2.85Å; L150-V162 HydrophobicContact CD1-CG2 3.38Å; L150-V162 HydrophobicContact CD2-CG2 4.38Å; L150-V162 HydrophobicContact CG-CG2 3.73Å
151H77.8Confident77.7Confident113 Ų11390.1 Ų90.152%0.52351%0.512SS..EExtended strand (participates in β ladder)trans-145.6122.7179.4-15678.5000110.3S159 V160H151-S159 VanDerWaalsContact O-CA 3.31Å; H151-S159 WeakPolarHBondContact O-CA 3.4Å; H151-S159 PolarHBondContact O-OG 2.81Å; H151-V160 HydrophobicContact CB-CB 4.17Å; H151-V160 HydrophobicContact CB-CG2 4.35Å; H151-V160 PolarHBondContact N-O 3.39Å; H151-V160 PolarHBondContact O-N 3.22Å
152A83.4Confident77.8Confident59 Ų5985.6 Ų85.649%0.48850%0.496SS..  trans-65138172.800000110.4E149E149-A152 WeakPolarHBondContact OE1-CA 3.29Å
153G83.6Confident77.7Confident40 Ų4088.1 Ų88.141%0.41251%0.506SS..  trans-65.5144174.200000111.1T157G153-T157 CarbonylContact C-O 3.56Å; G153-T157 VanDerWaalsContact CA-O 3.26Å; G153-T157 WeakPolarHBondContact CA-O 3.44Å
154T83.4Confident77.8Confident85 Ų8589.2 Ų89.252%0.52151%0.509SS..BIsolated β-bridgetrans-110.7173.4168.270.30000109.4S156 T157T154-S156 PolarHBondContact O-N 3.42Å; T154-S156 PolarHBondContact OG1-N 3.09Å; T154-T157 PolarHBondContact N-O 2.5Å; T154-T157 PolarHBondContact O-N 3.24Å; T154-T157 PolarHBondContact OG1-N 3.36Å; T154-T157 PolarHBondContact OG1-OG1 2.79Å
155E83.1Confident77.8Confident216 Ų21690.2 Ų90.2100%1.00952%0.517SS*.THydrogen-bonded Turntrans-55.8-23.7175.9-76.8-172.3134.100113.4
156S78.3Confident78Confident113 Ų11393.8 Ų93.879%0.7952%0.522SS*.THydrogen-bonded Turntrans-106.3-14.9-177.1-165.70000113.7T154T154-S156 PolarHBondContact O-N 3.42Å; T154-S156 PolarHBondContact OG1-N 3.09Å
157T67.6Low77.3Confident63 Ų6394.1 Ų94.139%0.38754%0.536SS..BIsolated β-bridgetrans-134.7135.7-174.657.30000112.8G153 T154G153-T157 CarbonylContact C-O 3.56Å; G153-T157 VanDerWaalsContact CA-O 3.26Å; G153-T157 WeakPolarHBondContact CA-O 3.44Å; T154-T157 PolarHBondContact N-O 2.5Å; T154-T157 PolarHBondContact O-N 3.24Å; T154-T157 PolarHBondContact OG1-N 3.36Å; T154-T157 PolarHBondContact OG1-OG1 2.79Å
158P81.2Confident76.5Confident111 Ų11193.7 Ų93.772%0.72154%0.537SS*.  trans-67.9153.1176.929.8-34.8000111.6
159S85.7Confident75.2Confident50 Ų5097.4 Ų97.435%0.3557%0.565SS.*  trans-68145.1171.2169.40000111E149 H151 V161E149-S159 WeakPolarHBondContact OE1-CB 3.3Å; E149-S159 PolarHBondContact OE1-OG 2.92Å; H151-S159 VanDerWaalsContact O-CA 3.31Å; H151-S159 WeakPolarHBondContact O-CA 3.4Å; H151-S159 PolarHBondContact O-OG 2.81Å; S159-V161 WeakPolarHBondContact OG-CG2 3.5Å
160V83.9Confident73.9Confident77 Ų77101 Ų10147%0.46758%0.582SS.*EExtended strand (participates in β ladder)trans-110.9113.7174.7-177.40000108.7L150 H151L150-V160 HydrophobicContact CB-CG1 4.33Å; L150-V160 HydrophobicContact CD1-CG1 4.28Å; L150-V160 PolarHBondContact N-O 2.85Å; H151-V160 HydrophobicContact CB-CB 4.17Å; H151-V160 HydrophobicContact CB-CG2 4.35Å; H151-V160 PolarHBondContact N-O 3.39Å; H151-V160 PolarHBondContact O-N 3.22Å
161V81Confident72.7Confident58 Ų58103.8 Ų103.835%0.35259%0.592SS.*EExtended strand (participates in β ladder)trans-123.9128.6-178-173.40000110.4K147 Y148 E149 S159K147-V161 HydrophobicContact CB-CG1 3.95Å; Y148-V161 CarbonylContact O-C 3.6Å; Y148-V161 WeakPolarHBondContact O-CA 3.48Å; E149-V161 HydrophobicContact CB-CG2 4.23Å; E149-V161 HydrophobicContact CG-CG2 4.18Å; S159-V161 WeakPolarHBondContact OG-CG2 3.5Å
162V81.3Confident71Confident49 Ų49105.9 Ų105.930%0.29761%0.607SS.*EExtended strand (participates in β ladder)trans-89.8126.8171.9177.80000108.8L142 Y148 L150L142-V162 HydrophobicContact CD1-CG1 4.43Å; Y148-V162 PolarHBondContact N-O 3.21Å; Y148-V162 PolarHBondContact O-N 3.06Å; L150-V162 HydrophobicContact CD1-CG2 3.38Å; L150-V162 HydrophobicContact CD2-CG2 4.38Å; L150-V162 HydrophobicContact CG-CG2 3.73Å
163H78.6Confident69.3Low107 Ų107111.8 Ų111.850%0.49562%0.624SS.*EExtended strand (participates in β ladder)trans-107.2117.7170.8-68.679.3000108.3K147 C165K147-H163 WeakPolarHBondContact CD-NE2 3.31Å; K147-H163 WeakPolarHBondContact CE-NE2 3.39Å; K147-H163 PolarHBondContact NZ-NE2 3.37Å; H163-C165 PolarHBondContact O-N 3.33Å
164V75.6Confident67.8Low41 Ų41113.8 Ų113.825%0.24864%0.637CS.*  trans-80.4111.5172.7-171.80000107.5L142 G143 G145 Y148 E166L142-V164 HydrophobicContact CB-CG2 3.8Å; G143-V164 WeakPolarHBondContact O-CB 3.43Å; G143-V164 WeakPolarHBondContact O-CG2 3.31Å; G145-V164 PolarHBondContact N-O 3.5Å; Y148-V164 HydrophobicContact CD2-CG2 4.42Å; Y148-V164 HydrophobicContact CE2-CG2 4.47Å; V164-E166 PolarHBondContact O-N 2.83Å
165C71.4Confident66.5Low116 Ų116115.4 Ų115.478%0.78465%0.647SS**  trans-66127.8172.8-76.80000109.2H163 S167H163-C165 PolarHBondContact O-N 3.33Å; C165-S167 PolarHBondContact O-N 2.93Å
166E70Confident65.4Low120 Ų120115 Ų11556%0.56164%0.636SS**  trans-62.6122.4162.9-63.6177.4-17200107.1P144 G145 V164 E168P144-E166 HydrophobicContact CB-CG 4.01Å; G145-E166 WeakPolarHBondContact CA-OE1 3.34Å; V164-E166 PolarHBondContact O-N 2.83Å; E166-E168 PolarHBondContact O-N 3.49Å
167S55.9Low64.5Low117 Ų117115.2 Ų115.282%0.81864%0.635SS**  trans-69.883166.450.50000107.6C165 T169C165-S167 PolarHBondContact O-N 2.93Å; S167-T169 PolarHBondContact O-N 3.38Å; S167-T169 VanDerWaalsContact O-N 3.15Å
168E53.2Low64.1Low144 Ų144122 Ų12267%0.67366%0.658SS**  trans-54.8118.3163.2-67.4178164.600106.3E166 E170E166-E168 PolarHBondContact O-N 3.49Å; E168-E170 PolarHBondContact O-N 2.88Å
169T49.5Very low63.3Low133 Ų133125.4 Ų125.482%0.81667%0.665SS**  trans-53.8128.2160.2-590000105.8S167 E171S167-T169 PolarHBondContact O-N 3.38Å; S167-T169 VanDerWaalsContact O-N 3.15Å; T169-E171 VanDerWaalsContact C-N 3.32Å; T169-E171 PolarHBondContact O-N 2.93Å
170E51.7Low62.2Low191 Ų191131.7 Ų131.789%0.89369%0.689SS**SBendtrans-53.780.6-171.3-60.1-178.2166.400113.6E168E168-E170 PolarHBondContact O-N 2.88Å
171E49.8Very low61.7Low176 Ų176135.6 Ų135.682%0.82271%0.705SS**  trans-151.666.6172.2-100.6-179.7-164.200110.2T169T169-E171 VanDerWaalsContact C-N 3.32Å; T169-E171 PolarHBondContact O-N 2.93Å
172D42.5Very low61.6Low158 Ų158138.6 Ų138.685%0.84572%0.724SS**  trans170.394.1134.1-99.4-37.1000109.6A174D172-A174 PolarHBondContact O-N 3.35Å
173E48.7Very low61.4Low182 Ų182145.1 Ų145.185%0.8575%0.751SS**  trans-65.878.5166.9-93.1-117141.800110.1V175E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 PolarHBondContact O-N 3.27Å; E173-V175 VanDerWaalsContact O-N 3.09Å
174A51.1Low61.3Low83 Ų83146.1 Ų146.169%0.68677%0.765SS**  trans-73.893154.100000107.4D172 R176D172-A174 PolarHBondContact O-N 3.35Å; A174-R176 WeakPolarHBondContact O-CG 3.26Å; A174-R176 PolarHBondContact O-N 3.24Å
175V56.6Low61.6Low118 Ų118155.5 Ų155.572%0.71580%0.796SS**  trans-42.297.1178.1-179.40000110.9E173E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 PolarHBondContact O-N 3.27Å; E173-V175 VanDerWaalsContact O-N 3.09Å
176R60.2Low61.5Low209 Ų209160.7 Ų160.779%0.78980%0.799SS**  trans-72.4122.9170.6-57.2-174.8-170-167.93.9106.6A174 K178A174-R176 WeakPolarHBondContact O-CG 3.26Å; A174-R176 PolarHBondContact O-N 3.24Å; R176-K178 PolarHBondContact O-N 2.6Å
177P58.3Low61.8Low117 Ų117160.3 Ų160.376%0.7681%0.806SS**  trans-62.6115.3-177.723.1-30.6000108.8Q179P177-Q179 PolarHBondContact O-N 2.93Å
178K59.1Low63Low204 Ų204162.4 Ų162.489%0.88781%0.809SS**  trans-51.1117.3172.4-75.4175.9177.5173.60107.8R176 Q180R176-K178 PolarHBondContact O-N 2.6Å; K178-Q180 PolarHBondContact O-N 3.17Å
179Q64.4Low64Low184 Ų184158.3 Ų158.386%0.8681%0.805SS**  trans-60.6112175.7-69.5-179.7-12.400108.1P177 I181P177-Q179 PolarHBondContact O-N 2.93Å; Q179-I181 PolarHBondContact O-N 2.81Å; Q179-I181 VanDerWaalsContact O-N 3.16Å
180Q64Low65.1Low181 Ų181157.9 Ų157.985%0.84681%0.805SS**  trans-72.1109.6178.6-171.5172.410.700108.3K178 V182K178-Q180 PolarHBondContact O-N 3.17Å; Q180-V182 PolarHBondContact O-N 3.25Å; Q180-V182 VanDerWaalsContact O-N 3.1Å
181I73.3Confident66.1Low159 Ų159154.5 Ų154.582%0.81580%0.799SS**  trans-66111.1175.9-59.9173000107.6Q179 Q183Q179-I181 PolarHBondContact O-N 2.81Å; Q179-I181 VanDerWaalsContact O-N 3.16Å; I181-Q183 PolarHBondContact O-N 2.89Å
182V77.9Confident66.8Low122 Ų122149.7 Ų149.774%0.73979%0.79SS**  trans-71.5119.3175.3-178.50000108Q180 T184Q180-V182 PolarHBondContact O-N 3.25Å; Q180-V182 VanDerWaalsContact O-N 3.1Å; V182-T184 PolarHBondContact O-N 3.02Å; V182-T184 VanDerWaalsContact O-N 3.12Å
183Q76.9Confident67.7Low185 Ų185148.3 Ų148.386%0.86479%0.787SS**  trans-62.3114.4176.2-176.6171.9-5.500109.7I181I181-Q183 PolarHBondContact O-N 2.89Å
184T77.9Confident68.3Low128 Ų128148.9 Ų148.979%0.78579%0.787SS**PPolyproline II helixtrans-77135.9177.551.40000110.2V182V182-T184 PolarHBondContact O-N 3.02Å; V182-T184 VanDerWaalsContact O-N 3.12Å
185R80.8Confident68.2Low239 Ų239155.7 Ų155.790%0.90281%0.812SS**PPolyproline II helixtrans-71.9145.7175.2-152.9179.5-173.8-169.90.7109.1
186R70.2Confident68.8Low225 Ų225157.6 Ų157.685%0.84982%0.817SS**PPolyproline II helixtrans-55.8132.3172.2-177.2-176.2175.8-178.80.3109.6
187P76.4Confident69.3Low111 Ų111154.9 Ų154.972%0.72182%0.818SS**PPolyproline II helixtrans-57.3144.9172.6-23.232.8000111.7
188D80.4Confident69.9Low161 Ų161157 Ų15786%0.86182%0.821SS**PPolyproline II helixtrans-60.3139.3176.3-69-46.5000110.6
189G73.6Confident70.5Confident59 Ų59154.2 Ų154.261%0.60882%0.818SS**PPolyproline II helixtrans-67.9159.7175.700000111.6
190P73.9Confident70.9Confident124 Ų124152.4 Ų152.481%0.80582%0.815SS**PPolyproline II helixtrans-57.9145.5175.124.1-32.1000110.8A192P190-A192 PolarHBondContact O-N 2.76Å
191P71.6Confident71.4Confident119 Ų119150.5 Ų150.577%0.77381%0.813SS**PPolyproline II helixtrans-60135-179.824.2-32000110.1V193P191-V193 PolarHBondContact O-N 3.22Å; P191-V193 VanDerWaalsContact O-N 3.11Å
192A65.2Low71.2Confident76 Ų76149.9 Ų149.963%0.62881%0.813SS**  trans-61.1114.9175.800000109.2P190 F194P190-A192 PolarHBondContact O-N 2.76Å; A192-F194 HydrophobicContact CB-CE2 4.17Å; A192-F194 PolarHBondContact O-N 3.26Å; A192-F194 VanDerWaalsContact O-N 3.15Å
193V61.7Low70.7Confident128 Ų128152 Ų15278%0.77682%0.818SS**  trans-75.4102171.6-156.90000106.3P191 N195P191-V193 PolarHBondContact O-N 3.22Å; P191-V193 VanDerWaalsContact O-N 3.11Å; V193-N195 PolarHBondContact O-N 3.45Å
194F60.8Low70.2Confident194 Ų194149.3 Ų149.385%0.85181%0.814SS**  trans-75.8111.8166.6-69.2-82.7000107.2A192A192-F194 HydrophobicContact CB-CE2 4.17Å; A192-F194 PolarHBondContact O-N 3.26Å; A192-F194 VanDerWaalsContact O-N 3.15Å
195N49.9Very low69.5Low227 Ų227151.2 Ų151.2100%1.21482%0.817SS**  trans-87.20161-84.8-33.2000109.4V193V193-N195 PolarHBondContact O-N 3.45Å

Retrieved 195 of 195 residues in 276 ms (Link to these results)

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