A0A087YDQ1_POEFO Loading...

ELL associated factor 2

AlphaFold DB , UniProt , Accession A0A087YDQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1M35.5Very low59.6Low237 Ų237131.6 Ų131.6100%1.16774%0.744SS**  0116.40-74.6149.26800106.5G3M1-G3 PolarHBondContact O-N 3.11Å
2N40.5Very low61.8Low167 Ų167133.3 Ų133.389%0.89374%0.741SS**  trans-76.8126.8-175.4-63.78.8000108.5
3G47.5Very low64Low72 Ų72138.1 Ų138.174%0.74275%0.754SS**  trans-62137.5171.800000109.8M1 A5M1-G3 PolarHBondContact O-N 3.11Å; G3-A5 PolarHBondContact O-N 2.87Å
4T47.6Very low65.9Low120 Ų120132.5 Ų132.574%0.73672%0.72SS**  trans-61.9108.9167.546.20000108.1Y6T4-Y6 PolarHBondContact O-N 2.83Å
5A51.7Low67.8Low91 Ų91131.9 Ų131.975%0.75272%0.722SS**  trans-56128.4174.800000109.1G3 S7G3-A5 PolarHBondContact O-N 2.87Å; A5-S7 VanDerWaalsContact C-N 3.34Å; A5-S7 PolarHBondContact O-N 2.85Å
6Y55.7Low69.6Low184 Ų184129.6 Ų129.672%0.72271%0.708SS**  trans-72.989-177.9-64.5-81000109.4T4 N8 F9T4-Y6 PolarHBondContact O-N 2.83Å; Y6-N8 PolarHBondContact O-N 3.18Å; Y6-F9 PolarHBondContact O-N 2.8Å
7S61.6Low71.1Confident110 Ų110127.8 Ų127.877%0.76969%0.692SS**THydrogen-bonded Turntrans-57.7-1-17356.60000116.6A5A5-S7 VanDerWaalsContact C-N 3.34Å; A5-S7 PolarHBondContact O-N 2.85Å
8N68.8Low72.5Confident110 Ų110126.7 Ų126.759%0.58869%0.685SS**THydrogen-bonded Turntrans-93.9-13.7178.7-56.44.7000111.7Y6 H92Y6-N8 PolarHBondContact O-N 3.18Å; N8-H92 PolarHBondContact O-CE1 3.27Å
9F78.4Confident73.7Confident102 Ų102120.5 Ų120.545%0.44765%0.654SS.*SBendtrans-101.4134.9171.7-63.8-91000108.9Y6 V90 Y97Y6-F9 PolarHBondContact O-N 2.8Å; F9-V90 HydrophobicContact CE1-CG2 3.89Å; F9-V90 HydrophobicContact CZ-CG2 4.33Å; F9-Y97 AromaticContact CD1-CE1 3.95Å; F9-Y97 HydrophobicContact CD1-CE1 3.95Å; F9-Y97 AromaticContact CE1-CE1 3.96Å; F9-Y97 HydrophobicContact CE1-CE1 3.96Å
10D83.1Confident74.8Confident78 Ų78117.9 Ų117.942%0.41764%0.637SS.*  trans-84179.9166.863.258.2000110.9Q12 H14D10-Q12 WeakPolarHBondContact OD1-CA 3.24Å; D10-Q12 VanDerWaalsContact OD1-CB 3.24Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 3.06Å; D10-H14 VanDerWaalsContact CG-NE2 3.31Å; D10-H14 IonicContact OD1-CD2 2.91Å; D10-H14 IonicContact OD1-CE1 3.08Å; D10-H14 IonicContact OD1-NE2 3.33Å; D10-H14 PolarHBondContact OD1-NE2 2.83Å; D10-H14 IonicContact OD2-CE1 2.83Å; D10-H14 PolarHBondContact OD2-CE1 3.46Å; D10-H14 IonicContact OD2-NE2 2.83Å; D10-H14 PolarHBondContact OD2-NE2 2.93Å
11N85.3Confident75.8Confident177 Ų177112.7 Ų112.795%0.94761%0.609SS**SBendtrans-99.724.5178.8-62.3-35.3000112.6
12Q86.1Confident78.6Confident152 Ų152104.7 Ų104.771%0.7157%0.568SS**SBendtrans-98.3162179-53.1-164.415.800111.9D10 H14D10-Q12 WeakPolarHBondContact OD1-CA 3.24Å; D10-Q12 VanDerWaalsContact OD1-CB 3.24Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 3.06Å; Q12-H14 PolarHBondContact O-CD2 3.32Å; Q12-H14 VanDerWaalsContact O-CD2 3.32Å
13E89.9Confident81.2Confident195 Ų195100.9 Ų100.991%0.91155%0.545SS*.  trans-83.8123.9173.5-173.6177.5178.700110
14H90.6Very high83.4Confident60 Ų60106.3 Ų106.328%0.27855%0.548SS..  trans-116.7135.6179.9-66.5-86.1000111.1D10 Q12 L16 Y97D10-H14 VanDerWaalsContact CG-NE2 3.31Å; D10-H14 IonicContact OD1-CD2 2.91Å; D10-H14 IonicContact OD1-CE1 3.08Å; D10-H14 IonicContact OD1-NE2 3.33Å; D10-H14 PolarHBondContact OD1-NE2 2.83Å; D10-H14 IonicContact OD2-CE1 2.83Å; D10-H14 PolarHBondContact OD2-CE1 3.46Å; D10-H14 IonicContact OD2-NE2 2.83Å; D10-H14 PolarHBondContact OD2-NE2 2.93Å; Q12-H14 PolarHBondContact O-CD2 3.32Å; Q12-H14 VanDerWaalsContact O-CD2 3.32Å; H14-L16 PolarHBondContact O-N 3.48Å; H14-L16 VanDerWaalsContact O-N 3.14Å; H14-Y97 HydrophobicContact CB-CD1 4.38Å; H14-Y97 HydrophobicContact CB-CD2 3.43Å; H14-Y97 VanDerWaalsContact CB-CD2 3.43Å; H14-Y97 HydrophobicContact CB-CE2 3.6Å; H14-Y97 HydrophobicContact CB-CG 3.86Å; H14-Y97 AromaticContact CD2-CE2 3.59Å; H14-Y97 AromaticContact CD2-CZ 3.63Å; H14-Y97 AromaticContact CE1-CE2 3.75Å; H14-Y97 AromaticContact CG-CD2 3.6Å; H14-Y97 AromaticContact CG-CE2 3.2Å; H14-Y97 AromaticContact CG-CZ 3.72Å; H14-Y97 AromaticContact ND1-CD2 3.81Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.4Å; H14-Y97 AromaticContact NE2-CE2 3.89Å
15V94.4Very high85.5Confident124 Ų124107.2 Ų107.275%0.75254%0.543SS*.  trans-71.9108.9-179.5179.80000110.2K17V15-K17 PolarHBondContact O-N 3.4Å
16L96Very high87.4Confident94 Ų94106.1 Ų106.149%0.49253%0.529SS..EExtended strand (participates in β ladder)trans-71.2112177.1-173.665.1000111.2H14 L88 L99H14-L16 PolarHBondContact O-N 3.48Å; H14-L16 VanDerWaalsContact O-N 3.14Å; L16-L88 HydrophobicContact CD1-CD1 3.55Å; L16-L99 HydrophobicContact CD1-CB 4.12Å; L16-L99 HydrophobicContact CD2-CB 4.49Å; L16-L99 HydrophobicContact CG-CB 4.41Å
17K96.6Very high89.1Confident100 Ų100104.3 Ų104.344%0.43552%0.524SS..EExtended strand (participates in β ladder)trans-86142.7172.5-57.6-174.3-168.9176.50110.4V15 E96 Y97 R98 L99V15-K17 PolarHBondContact O-N 3.4Å; K17-E96 HydrophobicContact CD-CG 3.98Å; K17-E96 IonicContact NZ-OE2 3.88Å; K17-E96 PolarHBondContact NZ-OE2 3.29Å; K17-Y97 PolarHBondContact N-O 2.98Å; K17-R98 HydrophobicContact CB-CG 4.42Å; K17-R98 CarbonylContact O-C 3.57Å; K17-R98 WeakPolarHBondContact O-CA 3.4Å; K17-L99 PolarHBondContact O-N 3.3Å
18L96.5Very high90.5Very high108 Ų108101.1 Ų101.157%0.56550%0.502SS*.EExtended strand (participates in β ladder)trans-88.6130165.3-59.1-177.6000108.8F22 L99L18-F22 HydrophobicContact CB-CB 3.93Å; L18-F22 HydrophobicContact CB-CD2 4.02Å; L18-F22 HydrophobicContact CB-CG 3.9Å; L18-F22 HydrophobicContact CD1-CB 4.39Å; L18-F22 HydrophobicContact CD1-CD1 4.01Å; L18-F22 HydrophobicContact CD1-CG 4.2Å; L18-F22 HydrophobicContact CD2-CD1 4.22Å; L18-F22 HydrophobicContact CD2-CD2 4.26Å; L18-F22 HydrophobicContact CD2-CE1 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.18Å; L18-F22 HydrophobicContact CD2-CG 4.28Å; L18-F22 HydrophobicContact CD2-CZ 4.14Å; L18-F22 HydrophobicContact CG-CD1 4.48Å; L18-F22 HydrophobicContact CG-CG 4.35Å; L18-L99 HydrophobicContact CD2-CB 4.14Å; L18-L99 HydrophobicContact CD2-CD2 4.08Å
19G94.9Very high91.7Very high9 Ų998.1 Ų98.19%0.09349%0.493CS..  trans-85.3-176.8-179.900000114.5T21 F22 L99 E100G19-T21 PolarHBondContact O-N 3.41Å; G19-F22 WeakPolarHBondContact O-CB 3.33Å; G19-F22 PolarHBondContact O-N 3.41Å; G19-L99 PolarHBondContact N-O 3.45Å; G19-E100 VanDerWaalsContact C-OE2 3.28Å; G19-E100 WeakPolarHBondContact CA-OE2 3.41Å
20E95.1Very high92.5Very high67 Ų6796.2 Ų96.231%0.31348%0.483SS..G310 helixtrans-57.5-28.1-172.7-65.3-162132.500113.4F22 E23 K27 S28 E100E20-F22 PolarHBondContact O-N 3.18Å; E20-F22 VanDerWaalsContact O-N 3.14Å; E20-E23 VanDerWaalsContact O-CB 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.42Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 3.4Å; E20-K27 IonicContact OE1-NZ 3.66Å; E20-K27 PolarHBondContact OE1-NZ 3.1Å; E20-S28 PolarHBondContact OE2-OG 3.5Å; E20-E100 PolarHBondContact N-OE2 2.9Å
21T95.3Very high93.1Very high9 Ų996.2 Ų96.26%0.05548%0.48CS..G310 helixtrans-65-13.1176.355.40000114.2G19 Y30 E100 K101G19-T21 PolarHBondContact O-N 3.41Å; T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 3.96Å; T21-E100 WeakPolarHBondContact CB-OE2 3.45Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.32Å; T21-E100 PolarHBondContact N-OE2 3.33Å; T21-E100 VanDerWaalsContact N-OE2 3.13Å; T21-E100 VanDerWaalsContact OG1-CA 3.27Å; T21-E100 WeakPolarHBondContact OG1-CA 3.36Å; T21-E100 PolarHBondContact OG1-OE2 3.37Å; T21-K101 WeakPolarHBondContact O-CD 3.25Å; T21-K101 VanDerWaalsContact O-CE 3.24Å; T21-K101 WeakPolarHBondContact O-CE 3.4Å; T21-K101 PolarHBondContact O-NZ 3.34Å; T21-K101 PolarHBondContact OG1-N 2.77Å
22F94.4Very high93.6Very high69 Ų6989.4 Ų89.430%0.30345%0.445SS..G310 helixtrans-88.7-11171.4-72.1-95.7000113.8L18 G19 E20 L99 K101L18-F22 HydrophobicContact CB-CB 3.93Å; L18-F22 HydrophobicContact CB-CD2 4.02Å; L18-F22 HydrophobicContact CB-CG 3.9Å; L18-F22 HydrophobicContact CD1-CB 4.39Å; L18-F22 HydrophobicContact CD1-CD1 4.01Å; L18-F22 HydrophobicContact CD1-CG 4.2Å; L18-F22 HydrophobicContact CD2-CD1 4.22Å; L18-F22 HydrophobicContact CD2-CD2 4.26Å; L18-F22 HydrophobicContact CD2-CE1 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.18Å; L18-F22 HydrophobicContact CD2-CG 4.28Å; L18-F22 HydrophobicContact CD2-CZ 4.14Å; L18-F22 HydrophobicContact CG-CD1 4.48Å; L18-F22 HydrophobicContact CG-CG 4.35Å; G19-F22 WeakPolarHBondContact O-CB 3.33Å; G19-F22 PolarHBondContact O-N 3.41Å; E20-F22 PolarHBondContact O-N 3.18Å; E20-F22 VanDerWaalsContact O-N 3.14Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.21Å; F22-L99 HydrophobicContact CE2-CG 4.19Å; F22-L99 WeakPolarHBondContact CE2-O 3.49Å; F22-L99 HydrophobicContact CZ-CD2 3.77Å; F22-L99 HydrophobicContact CZ-CG 4.21Å; F22-K101 VanDerWaalsContact CD1-CE 3.4Å; F22-K101 HydrophobicContact CD1-CG 4.41Å; F22-K101 HydrophobicContact CD2-CG 4.1Å; F22-K101 HydrophobicContact CE1-CD 4.43Å; F22-K101 HydrophobicContact CE1-CG 4.01Å; F22-K101 HydrophobicContact CE2-CG 3.66Å; F22-K101 HydrophobicContact CG-CG 4.45Å; F22-K101 HydrophobicContact CZ-CD 4.49Å; F22-K101 HydrophobicContact CZ-CG 3.6Å
23E94.9Very high94Very high88 Ų8884.8 Ų84.841%0.41143%0.427SS..SBendtrans-63.9160.5173.9-65.5-179.1-171.400112.3E20 H25 K27E20-E23 VanDerWaalsContact O-CB 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.42Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 3.4Å; E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.79Å; E23-K27 IonicContact OE1-NZ 2.7Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å; E23-K27 IonicContact OE2-NZ 3.05Å; E23-K27 PolarHBondContact OE2-NZ 3.05Å
24K93.4Very high94.3Very high185 Ų18581.6 Ų81.680%0.80441%0.407SS*.SBendtrans-64.9-29.1175.3-174179.7172.1178.80112.9
25H92.9Very high94.4Very high139 Ų13983.6 Ų83.664%0.64441%0.413SS*.SBendtrans-134.774.9-178.7-48.8123000109.1E23 K27E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.79Å; H25-K27 PolarHBondContact O-N 3Å
26P92.1Very high94.2Very high69 Ų6982 Ų8245%0.44840%0.4SS..  trans-64.7129.4-172.427.8-35.7000111.2
27K91.4Very high93.7Very high145 Ų14582.6 Ų82.663%0.6340%0.399SS*.SBendtrans-79.9-22.5-179.5-49.4-179.8-156.576.10112.6E20 E23 H25E20-K27 IonicContact OE1-NZ 3.66Å; E20-K27 PolarHBondContact OE1-NZ 3.1Å; E23-K27 IonicContact OE1-NZ 2.7Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å; E23-K27 IonicContact OE2-NZ 3.05Å; E23-K27 PolarHBondContact OE2-NZ 3.05Å; H25-K27 PolarHBondContact O-N 3Å
28S90.7Very high93.1Very high43 Ų4386.5 Ų86.530%0.30142%0.416SS..  trans-133.4158.3-17356.10000110.1E20E20-S28 PolarHBondContact OE2-OG 3.5Å
29A92.6Very high92.6Very high47 Ų4781.9 Ų81.939%0.38839%0.392SS..  trans-148.8139178.800000111.3H31 N103A29-H31 PolarHBondContact O-CD2 2.89Å; A29-N103 HydrophobicContact CB-CB 3.99Å
30Y95.6Very high92.2Very high63 Ų6386.5 Ų86.525%0.24743%0.43CS..EExtended strand (participates in β ladder)trans-99.3140.3178.4-60.3-98.2000110.7T21 I87 I89 R98 E100 N103T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 3.96Å; Y30-I87 HydrophobicContact CD1-CD1 3.53Å; Y30-I87 HydrophobicContact CD2-CD1 4.49Å; Y30-I87 HydrophobicContact CE1-CD1 4.05Å; Y30-I87 HydrophobicContact CG-CD1 3.76Å; Y30-I89 HydrophobicContact CE1-CD1 3.88Å; Y30-R98 PolarHBondContact OH-NH2 3.28Å; Y30-E100 HydrophobicContact CD2-CB 3.69Å; Y30-E100 HydrophobicContact CD2-CG 4.13Å; Y30-E100 HydrophobicContact CE2-CB 3.56Å; Y30-E100 HydrophobicContact CE2-CG 3.46Å; Y30-E100 VanDerWaalsContact CE2-CG 3.46Å; Y30-E100 WeakPolarHBondContact CE2-OE1 3.5Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-E100 PolarHBondContact OH-OE1 3.14Å; Y30-N103 PolarHBondContact O-N 2.85Å
31H95.5Very high91.9Very high77 Ų7784.9 Ų84.936%0.35643%0.425SS..EExtended strand (participates in β ladder)trans-134.5141.6-175.3-64.7-85.8000109.7A29 N103 S104 I106A29-H31 PolarHBondContact O-CD2 2.89Å; H31-N103 PolarHBondContact CE1-ND2 2.8Å; H31-N103 VanDerWaalsContact CE1-ND2 3.33Å; H31-S104 WeakPolarHBondContact CA-O 3.1Å; H31-S104 WeakPolarHBondContact ND1-CB 3.45Å; H31-S104 PolarHBondContact ND1-N 2.7Å; H31-I106 HydrophobicContact CB-CD1 4.15Å
32T95.8Very high91.8Very high34 Ų3485.8 Ų85.821%0.20943%0.43CS..EExtended strand (participates in β ladder)trans-94.5132171.4570000109.5R34 Y82 L102 S104 N105 I106T32-R34 PolarHBondContact OG1-NH2 3.43Å; T32-Y82 HydrophobicContact CG2-CE2 4.17Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.48Å; T32-Y82 PolarHBondContact OG1-OH 3.31Å; T32-L102 HydrophobicContact CG2-CD1 3.77Å; T32-L102 HydrophobicContact CG2-CD2 3.97Å; T32-S104 PolarHBondContact N-O 3.15Å; T32-S104 VanDerWaalsContact N-O 3.07Å; T32-N105 PolarHBondContact OG1-OD1 3.3Å; T32-I106 WeakPolarHBondContact O-CB 3.33Å; T32-I106 PolarHBondContact O-N 3.04Å
33V95.9Very high91.7Very high56 Ų5683.8 Ų83.834%0.33942%0.422SS..EExtended strand (participates in β ladder)trans-109.8124.7172.9-174.70000109.1Y35 I60 I106 V108V33-Y35 HydrophobicContact CB-CE2 4.27Å; V33-Y35 HydrophobicContact CG1-CD2 4.19Å; V33-Y35 HydrophobicContact CG1-CE1 4.22Å; V33-Y35 HydrophobicContact CG1-CE2 3.59Å; V33-I60 HydrophobicContact CG1-CD1 3.6Å; V33-I106 CarbonylContact C-O 3.43Å; V33-I106 WeakPolarHBondContact CA-O 3.42Å; V33-I106 HydrophobicContact CG2-CB 4.3Å; V33-I106 HydrophobicContact CG2-CD1 4.29Å; V33-V108 HydrophobicContact CG1-CG2 4.46Å
34R94.9Very high91.6Very high128 Ų12885.5 Ų85.548%0.48344%0.439SS..EExtended strand (participates in β ladder)trans-117.9114.8176.8-77.8179.5-104.8-125.9-11.6109.9T32 Y82 N105 I106 V108T32-R34 PolarHBondContact OG1-NH2 3.43Å; R34-Y82 PolarHBondContact NH2-OH 2.84Å; R34-N105 PolarHBondContact NE-OD1 3.25Å; R34-N105 PolarHBondContact NH2-ND2 3.29Å; R34-N105 PolarHBondContact NH2-OD1 3.2Å; R34-I106 PolarHBondContact N-O 3.05Å; R34-V108 PolarHBondContact O-N 3.39Å
35Y93.4Very high91.7Very high101 Ų10182.5 Ų82.540%0.39644%0.436SS..EExtended strand (participates in β ladder)trans-90.6143173-56-91.2000109.8V33 F37 I60 L62 F75 V108V33-Y35 HydrophobicContact CB-CE2 4.27Å; V33-Y35 HydrophobicContact CG1-CD2 4.19Å; V33-Y35 HydrophobicContact CG1-CE1 4.22Å; V33-Y35 HydrophobicContact CG1-CE2 3.59Å; Y35-F37 VanDerWaalsContact C-N 3.32Å; Y35-I60 HydrophobicContact CE1-CD1 4.06Å; Y35-I60 HydrophobicContact CE1-CG2 4.49Å; Y35-L62 HydrophobicContact CE1-CD1 4.46Å; Y35-F75 AromaticContact CD1-CD1 3.72Å; Y35-F75 HydrophobicContact CD1-CD1 3.72Å; Y35-F75 AromaticContact CD1-CD2 3.99Å; Y35-F75 HydrophobicContact CD1-CD2 3.99Å; Y35-F75 AromaticContact CD1-CE1 3.75Å; Y35-F75 HydrophobicContact CD1-CE1 3.75Å; Y35-F75 AromaticContact CD1-CE2 4Å; Y35-F75 HydrophobicContact CD1-CE2 4Å; Y35-F75 AromaticContact CD1-CG 3.85Å; Y35-F75 HydrophobicContact CD1-CG 3.85Å; Y35-F75 AromaticContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CE1-CD1 4.48Å; Y35-F75 HydrophobicContact CE1-CD2 4.01Å; Y35-F75 HydrophobicContact CE1-CE2 4.19Å; Y35-F75 HydrophobicContact CE1-CG 4.16Å; Y35-F75 HydrophobicContact CG-CE1 4.48Å; Y35-V108 HydrophobicContact CD1-CG2 3.52Å; Y35-V108 HydrophobicContact CE1-CG2 3.9Å; Y35-V108 HydrophobicContact CG-CG2 4.15Å
36D90.3Very high91.7Very high90 Ų9079.1 Ų79.148%0.48143%0.428SS..SBendtrans-75.8-20.5171.666.7-17.5000113.6V108 K109 K110D36-V108 PolarHBondContact N-O 3.49Å; D36-K109 HydrophobicContact CB-CG 4.22Å; D36-K109 VanDerWaalsContact CG-CA 3.47Å; D36-K109 WeakPolarHBondContact OD1-CA 3.42Å; D36-K109 WeakPolarHBondContact OD2-CA 3.4Å; D36-K109 VanDerWaalsContact OD2-CB 3.27Å; D36-K109 WeakPolarHBondContact OD2-CB 3.35Å; D36-K109 WeakPolarHBondContact OD2-CG 3.47Å; D36-K110 PolarHBondContact OD1-N 3.16Å; D36-K110 PolarHBondContact OD2-N 2.86Å
37F85.6Confident91.8Very high108 Ų10884.8 Ų84.847%0.47445%0.448SS..  trans-153.6132.8-174.5176.6-103.3000111Y35 P39 F75 K110Y35-F37 VanDerWaalsContact C-N 3.32Å; F37-P39 HydrophobicContact CD1-CB 4.38Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.85Å; F37-P39 HydrophobicContact CE1-CG 3.94Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å; F37-F75 WeakPolarHBondContact O-CE1 3.37Å; F37-F75 WeakPolarHBondContact O-CZ 3.37Å; F37-K110 HydrophobicContact CD1-CD 3.87Å; F37-K110 HydrophobicContact CE1-CD 4.24Å
38K84.5Confident92Very high182 Ų18280 Ų8079%0.79144%0.44SS*.  trans-95.7112.9168.1-174.7177.6179.9179.60109.3
39P84.9Confident92.2Very high10 Ų1083.4 Ų83.47%0.06545%0.451CS..  trans-70.7142.3176.6-12.527.3000111.1F37 S41 I42 T73 F75 K110F37-P39 HydrophobicContact CD1-CB 4.38Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.85Å; F37-P39 HydrophobicContact CE1-CG 3.94Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-S41 PolarHBondContact O-N 3.15Å; P39-I42 HydrophobicContact CB-CD1 4.19Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.81Å; P39-I42 HydrophobicContact CG-CG1 3.78Å; P39-T73 HydrophobicContact CG-CG2 3.96Å; P39-F75 HydrophobicContact CG-CZ 4Å; P39-K110 HydrophobicContact CG-CD 4.48Å
40A86.6Confident92.4Very high107 Ų10786 Ų8688%0.88446%0.458SS*.THydrogen-bonded Turntrans-68.8-13.1170.500000113.2
41S88.6Confident92.4Very high32 Ų3287.8 Ų87.822%0.22447%0.468CS..THydrogen-bonded Turntrans-97.8-3.1-173.361.10000115.1P39 D43 N64 L65P39-S41 PolarHBondContact O-N 3.15Å; S41-D43 PolarHBondContact O-N 3.47Å; S41-N64 CarbonylContact O-C 3.59Å; S41-N64 WeakPolarHBondContact O-CA 3.27Å; S41-N64 WeakPolarHBondContact O-CB 3.15Å; S41-N64 PolarHBondContact O-OD1 2.94Å; S41-N64 PolarHBondContact OG-OD1 3.44Å; S41-L65 PolarHBondContact O-N 3.13Å
42I93.1Very high92.4Very high29 Ų2988.3 Ų88.315%0.14948%0.477CS..BIsolated β-bridgetrans-65.6129.9-178.5-62.5-54.2000109.8P39 T44 L62P39-I42 HydrophobicContact CB-CD1 4.19Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.81Å; P39-I42 HydrophobicContact CG-CG1 3.78Å; I42-T44 HydrophobicContact CG2-CG2 4.32Å; I42-L62 HydrophobicContact CD1-CB 3.75Å; I42-L62 HydrophobicContact CD1-CD1 4.15Å; I42-L62 HydrophobicContact CG1-CD1 4.4Å; I42-L62 HydrophobicContact CG2-CB 4.39Å; I42-L62 HydrophobicContact CG2-CD1 4.34Å
43D93.1Very high92.3Very high27 Ų2788.6 Ų88.614%0.14449%0.486CS..  trans-78.7121.7164.6-174.1-3.9000109S41 T45 C46 P63 L65S41-D43 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CA 3.42Å; D43-T45 WeakPolarHBondContact OD1-CB 3.38Å; D43-T45 PolarHBondContact OD1-N 2.67Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.85Å; D43-C46 PolarHBondContact OD2-SG 3.28Å; D43-P63 HydrophobicContact CB-CB 4.48Å; D43-P63 HydrophobicContact CB-CG 4.41Å; D43-P63 PolarHBondContact N-O 2.93Å; D43-L65 HydrophobicContact CB-CD2 3.85Å; D43-L65 HydrophobicContact CB-CG 4.28Å
44T92.8Very high92.1Very high123 Ų12395.2 Ų95.276%0.75551%0.51SS*.SBendtrans-97.44.7177.860.20000113.3I42I42-T44 HydrophobicContact CG2-CG2 4.32Å
45T94.6Very high91.9Very high122 Ų12292.5 Ų92.575%0.74852%0.523SS*.SBendtrans-97.1-23.3174.969.70000112.6D43D43-T45 WeakPolarHBondContact OD1-CA 3.42Å; D43-T45 WeakPolarHBondContact OD1-CB 3.38Å; D43-T45 PolarHBondContact OD1-N 2.67Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.85Å
46C93.4Very high91.9Very high69 Ų6991.3 Ų91.347%0.46652%0.521SS..SBendtrans-93.3149.9173.4-68.70000112D43 P63D43-C46 PolarHBondContact OD2-SG 3.28Å; C46-P63 HydrophobicContact CB-CB 4.14Å; C46-P63 HydrophobicContact CB-CG 3.5Å
47E95.2Very high92.2Very high188 Ų18893.2 Ų93.288%0.87953%0.527SS*.  trans-72.3154.9176.8-63.5-171.715600112.5P63E47-P63 WeakPolarHBondContact O-CD 3.35Å; E47-P63 WeakPolarHBondContact O-CG 3.24Å
48G94.3Very high92.8Very high44 Ų4488.1 Ų88.145%0.45451%0.505SS..  trans-118.6146.8177.500000112.1T61G48-T61 CarbonylContact C-O 3.56Å; G48-T61 WeakPolarHBondContact CA-O 3.45Å
49E95.9Very high93.4Very high115 Ų11580.5 Ų80.554%0.53747%0.473SS..EExtended strand (participates in β ladder)trans-92.3141.6-177.7179.9178.9-127.100111.6E51 I60 T61E49-E51 HydrophobicContact CG-CG 4.46Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.32Å; E49-I60 WeakPolarHBondContact O-CA 3.45Å; E49-T61 PolarHBondContact N-O 2.87Å; E49-T61 PolarHBondContact O-N 2.87Å
50L96Very high93.9Very high101 Ų10180.4 Ų80.453%0.52947%0.472SS..EExtended strand (participates in β ladder)trans-129.6105.7178.7171.765000109.5V58 I60L50-V58 HydrophobicContact CD1-CG1 3.43Å; L50-V58 VanDerWaalsContact CD1-CG1 3.43Å; L50-I60 HydrophobicContact CD1-CD1 4.14Å; L50-I60 HydrophobicContact CD1-CG1 3.77Å
51E96.2Very high94.4Very high100 Ų10076.7 Ų76.747%0.46744%0.438SS..EExtended strand (participates in β ladder)trans-97.4136.5173.6-56.3-176.411500111E49 V58 T59E49-E51 HydrophobicContact CG-CG 4.46Å; E51-V58 WeakPolarHBondContact O-CA 3.27Å; E51-T59 PolarHBondContact N-O 2.84Å; E51-T59 PolarHBondContact O-N 2.82Å; E51-T59 WeakPolarHBondContact OE2-CB 3.48Å; E51-T59 PolarHBondContact OE2-OG1 2.91Å
52V94.6Very high94.7Very high88 Ų8876.8 Ų76.853%0.53344%0.436SS..EExtended strand (participates in β ladder)trans-109.5107.2166-175.30000108.7V58V52-V58 HydrophobicContact CG2-CG2 4.47Å
53G93.4Very high94.8Very high40 Ų4076.7 Ų76.741%0.41244%0.437SS..  trans-86.8-179.9-178.500000113.9Q57G53-Q57 PolarHBondContact N-O 3.26Å
54K92.7Very high94.8Very high195 Ų19576.3 Ų76.385%0.84844%0.435SS*.G310 helixtrans-61.6144.7174.3-65-177.9-179.7179.40110.8
55G91.8Very high94.8Very high72 Ų7274.3 Ų74.374%0.74242%0.42SS*.G310 helixtrans67.936.6176.600000113.7Q57G55-Q57 PolarHBondContact O-N 3.35Å; G55-Q57 VanDerWaalsContact O-N 3.11Å
56E93.3Very high94.6Very high76 Ų7678.2 Ų78.236%0.35543%0.429SS..G310 helixtrans62.414.6177-53-74.5-130.200115.1S78 K79E56-S78 CarbonylContact O-C 3.57Å; E56-S78 WeakPolarHBondContact O-CA 3.22Å; E56-S78 WeakPolarHBondContact O-CB 3.28Å; E56-K79 HydrophobicContact CB-CG 4.06Å; E56-K79 HydrophobicContact CG-CG 4.49Å; E56-K79 PolarHBondContact O-N 2.91Å; E56-K79 IonicContact OE1-NZ 2.67Å; E56-K79 PolarHBondContact OE1-NZ 2.79Å; E56-K79 WeakPolarHBondContact OE2-CE 3.43Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 2.91Å
57Q96.2Very high94.3Very high130 Ų13079.1 Ų79.161%0.60745%0.451SS*.EExtended strand (participates in β ladder)trans-67.4143.3173.5-64.4-174.125.400110.7G53 G55 G77G53-Q57 PolarHBondContact N-O 3.26Å; G55-Q57 PolarHBondContact O-N 3.35Å; G55-Q57 VanDerWaalsContact O-N 3.11Å; Q57-G77 WeakPolarHBondContact CA-O 3.33Å
58V97.6Very high93.9Very high1 Ų172 Ų721%0.00642%0.422CS..EExtended strand (participates in β ladder)trans-130.7127.9177.7-178.70000109.8L50 E51 V52 I60 K76 G77 K79 I106L50-V58 HydrophobicContact CD1-CG1 3.43Å; L50-V58 VanDerWaalsContact CD1-CG1 3.43Å; E51-V58 WeakPolarHBondContact O-CA 3.27Å; V52-V58 HydrophobicContact CG2-CG2 4.47Å; V58-I60 HydrophobicContact CG1-CG1 4.13Å; V58-K76 WeakPolarHBondContact O-CA 3.44Å; V58-G77 PolarHBondContact N-O 2.9Å; V58-G77 PolarHBondContact O-N 3.34Å; V58-K79 HydrophobicContact CG2-CB 4.26Å; V58-I106 HydrophobicContact CB-CG2 3.94Å; V58-I106 HydrophobicContact CG1-CG2 3.85Å; V58-I106 HydrophobicContact CG2-CG2 3.96Å
59T97Very high93.5Very high21 Ų2176.5 Ų76.513%0.12945%0.446CS..EExtended strand (participates in β ladder)trans-105.1137.4168.2-500000108.4E51 V74 F75 K76E51-T59 PolarHBondContact N-O 2.84Å; E51-T59 PolarHBondContact O-N 2.82Å; E51-T59 WeakPolarHBondContact OE2-CB 3.48Å; E51-T59 PolarHBondContact OE2-OG1 2.91Å; T59-V74 HydrophobicContact CG2-CG1 3.72Å; T59-F75 WeakPolarHBondContact CA-O 3.43Å; T59-K76 HydrophobicContact CG2-CG 4.18Å
60I96.4Very high93.1Very high8 Ų872.4 Ų72.44%0.04143%0.432CS..EExtended strand (participates in β ladder)trans-125.9118.7169.2-49.6-175.2000108.2V33 Y35 E49 L50 V58 L62 V74 F75 V108V33-I60 HydrophobicContact CG1-CD1 3.6Å; Y35-I60 HydrophobicContact CE1-CD1 4.06Å; Y35-I60 HydrophobicContact CE1-CG2 4.49Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.32Å; E49-I60 WeakPolarHBondContact O-CA 3.45Å; L50-I60 HydrophobicContact CD1-CD1 4.14Å; L50-I60 HydrophobicContact CD1-CG1 3.77Å; V58-I60 HydrophobicContact CG1-CG1 4.13Å; I60-L62 HydrophobicContact CG2-CD2 3.81Å; I60-L62 HydrophobicContact CG2-CG 4.09Å; I60-V74 CarbonylContact O-C 3.52Å; I60-V74 WeakPolarHBondContact O-CA 3.33Å; I60-F75 HydrophobicContact CB-CB 4.34Å; I60-F75 PolarHBondContact N-O 2.8Å; I60-F75 PolarHBondContact O-N 3.01Å; I60-V108 HydrophobicContact CD1-CG1 4.1Å; I60-V108 HydrophobicContact CD1-CG2 4.27Å; I60-V108 HydrophobicContact CG1-CG1 4.39Å
61T95.7Very high92.9Very high29 Ų2972.8 Ų72.818%0.17844%0.441CS..EExtended strand (participates in β ladder)trans-108.5111.2178.4-56.50000108.6G48 E49 V72 V74G48-T61 CarbonylContact C-O 3.56Å; G48-T61 WeakPolarHBondContact CA-O 3.45Å; E49-T61 PolarHBondContact N-O 2.87Å; E49-T61 PolarHBondContact O-N 2.87Å; T61-V72 HydrophobicContact CG2-CB 3.89Å; T61-V72 HydrophobicContact CG2-CG1 4.01Å; T61-V72 HydrophobicContact CG2-CG2 4.13Å; T61-V74 HydrophobicContact CG2-CG2 4.2Å
62L94.9Very high92.8Very high34 Ų3471 Ų7118%0.17844%0.437CS..EExtended strand (participates in β ladder)trans-106.7136.1177.7-58.2-175.6000110.3Y35 I42 I60 V72 T73 F75Y35-L62 HydrophobicContact CE1-CD1 4.46Å; I42-L62 HydrophobicContact CD1-CB 3.75Å; I42-L62 HydrophobicContact CD1-CD1 4.15Å; I42-L62 HydrophobicContact CG1-CD1 4.4Å; I42-L62 HydrophobicContact CG2-CB 4.39Å; I42-L62 HydrophobicContact CG2-CD1 4.34Å; I60-L62 HydrophobicContact CG2-CD2 3.81Å; I60-L62 HydrophobicContact CG2-CG 4.09Å; L62-V72 CarbonylContact O-C 3.53Å; L62-V72 WeakPolarHBondContact O-CA 3.26Å; L62-T73 PolarHBondContact N-O 2.82Å; L62-T73 PolarHBondContact O-N 2.71Å; L62-F75 HydrophobicContact CD1-CE2 4.1Å
63P95.1Very high92.7Very high27 Ų2767 Ų6718%0.17541%0.412CS..EExtended strand (participates in β ladder)trans-64.7147.9173.526.9-32.8000111.4D43 C46 E47D43-P63 HydrophobicContact CB-CB 4.48Å; D43-P63 HydrophobicContact CB-CG 4.41Å; D43-P63 PolarHBondContact N-O 2.93Å; C46-P63 HydrophobicContact CB-CB 4.14Å; C46-P63 HydrophobicContact CB-CG 3.5Å; E47-P63 WeakPolarHBondContact O-CD 3.35Å; E47-P63 WeakPolarHBondContact O-CG 3.24Å
64N93.7Very high92.8Very high19 Ų1967 Ų6710%0.10240%0.404CS..BIsolated β-bridgetrans-103152.5167-66.1-48.4000110.5S41 A70 P71 V72 T73S41-N64 CarbonylContact O-C 3.59Å; S41-N64 WeakPolarHBondContact O-CA 3.27Å; S41-N64 WeakPolarHBondContact O-CB 3.15Å; S41-N64 PolarHBondContact O-OD1 2.94Å; S41-N64 PolarHBondContact OG-OD1 3.44Å; N64-A70 WeakPolarHBondContact CB-O 3.11Å; N64-A70 PolarHBondContact ND2-O 2.92Å; N64-P71 PolarHBondContact N-O 3.03Å; N64-V72 PolarHBondContact ND2-O 3.08Å; N64-T73 PolarHBondContact ND2-N 2.91Å; N64-T73 PolarHBondContact ND2-OG1 3.48Å; N64-T73 PolarHBondContact OD1-OG1 2.62Å
65L93.6Very high92.9Very high82 Ų8257.7 Ų57.743%0.42936%0.364SS..PPolyproline II helixtrans-54.6146.4171-63.6168.2000111.8S41 D43 S68S41-L65 PolarHBondContact O-N 3.13Å; D43-L65 HydrophobicContact CB-CD2 3.85Å; D43-L65 HydrophobicContact CB-CG 4.28Å; L65-S68 WeakPolarHBondContact O-CB 2.97Å; L65-S68 PolarHBondContact O-N 2.81Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 2.97Å
66E90.1Very high93.1Very high203 Ų20359.7 Ų59.795%0.94935%0.352SS*.THydrogen-bonded Turntrans-53.8145.5176.3-62.3-166.9146.600112.5S68E66-S68 PolarHBondContact O-N 3.27Å
67G86.6Confident93.3Very high89 Ų8957.3 Ų57.392%0.91835%0.347SS*.THydrogen-bonded Turntrans78.2-3.8-174.200000115.2
68S87.5Confident93.3Very high38 Ų3853.3 Ų53.327%0.26633%0.334SS..  trans-63.2151.3170.4-65.70000112.5L65 E66 A70L65-S68 WeakPolarHBondContact O-CB 2.97Å; L65-S68 PolarHBondContact O-N 2.81Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 2.97Å; E66-S68 PolarHBondContact O-N 3.27Å; S68-A70 PolarHBondContact O-N 3.07Å; S68-A70 VanDerWaalsContact O-N 3.13Å
69S85.8Confident93.1Very high138 Ų13855.5 Ų55.597%0.96534%0.343SS*.SBendtrans-68-10-178.657.70000115.4
70A88.1Confident93.1Very high29 Ų2962 Ų6224%0.2437%0.365CS..SBendtrans-145.6145.6168.900000108.5N64 S68 V72N64-A70 WeakPolarHBondContact CB-O 3.11Å; N64-A70 PolarHBondContact ND2-O 2.92Å; S68-A70 PolarHBondContact O-N 3.07Å; S68-A70 VanDerWaalsContact O-N 3.13Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.14Å
71P90.7Very high93Very high110 Ų11066 Ų6671%0.71439%0.392SS*.SBendtrans-72.3-24-176.128.7-35.5000113.6N64N64-P71 PolarHBondContact N-O 3.03Å
72V93.3Very high92.9Very high63 Ų6366.3 Ų66.338%0.38239%0.39SS..EExtended strand (participates in β ladder)trans-134.9154.6179.4-62.80000111.2T61 L62 N64 A70 V74T61-V72 HydrophobicContact CG2-CB 3.89Å; T61-V72 HydrophobicContact CG2-CG1 4.01Å; T61-V72 HydrophobicContact CG2-CG2 4.13Å; L62-V72 CarbonylContact O-C 3.53Å; L62-V72 WeakPolarHBondContact O-CA 3.26Å; N64-V72 PolarHBondContact ND2-O 3.08Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.14Å; V72-V74 HydrophobicContact CG2-CG2 4.23Å
73T93.5Very high92.4Very high3 Ų373.6 Ų73.62%0.01843%0.425CS..EExtended strand (participates in β ladder)trans-108.8118.5162.7-68.30000109P39 L62 N64 F75 K110P39-T73 HydrophobicContact CG-CG2 3.96Å; L62-T73 PolarHBondContact N-O 2.82Å; L62-T73 PolarHBondContact O-N 2.71Å; N64-T73 PolarHBondContact ND2-N 2.91Å; N64-T73 PolarHBondContact ND2-OG1 3.48Å; N64-T73 PolarHBondContact OD1-OG1 2.62Å; T73-F75 HydrophobicContact CG2-CD2 4.02Å; T73-F75 HydrophobicContact CG2-CE2 3.46Å; T73-F75 VanDerWaalsContact CG2-CE2 3.46Å; T73-F75 HydrophobicContact CG2-CZ 3.83Å; T73-K110 HydrophobicContact CG2-CD 3.68Å; T73-K110 HydrophobicContact CG2-CG 3.97Å; T73-K110 PolarHBondContact OG1-NZ 2.9Å; T73-K110 VanDerWaalsContact OG1-NZ 3.17Å
74V94.6Very high92.1Very high39 Ų3982 Ų8224%0.23646%0.459CS..EExtended strand (participates in β ladder)trans-95.4130.9174.8-178.40000110.1T59 I60 T61 V72 K76 T111T59-V74 HydrophobicContact CG2-CG1 3.72Å; I60-V74 CarbonylContact O-C 3.52Å; I60-V74 WeakPolarHBondContact O-CA 3.33Å; T61-V74 HydrophobicContact CG2-CG2 4.2Å; V72-V74 HydrophobicContact CG2-CG2 4.23Å; V74-K76 HydrophobicContact CG1-CG 4.17Å; V74-T111 WeakPolarHBondContact O-CB 3.34Å; V74-T111 PolarHBondContact O-N 2.96Å; V74-T111 PolarHBondContact O-OG1 2.79Å
75F95.8Very high92.2Very high1 Ų186 Ų860%0.00448%0.477CS..EExtended strand (participates in β ladder)trans-109.9143.9167-62.7-97.7000109.9Y35 F37 P39 T59 I60 L62 T73 V108 K109 K110Y35-F75 AromaticContact CD1-CD1 3.72Å; Y35-F75 HydrophobicContact CD1-CD1 3.72Å; Y35-F75 AromaticContact CD1-CD2 3.99Å; Y35-F75 HydrophobicContact CD1-CD2 3.99Å; Y35-F75 AromaticContact CD1-CE1 3.75Å; Y35-F75 HydrophobicContact CD1-CE1 3.75Å; Y35-F75 AromaticContact CD1-CE2 4Å; Y35-F75 HydrophobicContact CD1-CE2 4Å; Y35-F75 AromaticContact CD1-CG 3.85Å; Y35-F75 HydrophobicContact CD1-CG 3.85Å; Y35-F75 AromaticContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CE1-CD1 4.48Å; Y35-F75 HydrophobicContact CE1-CD2 4.01Å; Y35-F75 HydrophobicContact CE1-CE2 4.19Å; Y35-F75 HydrophobicContact CE1-CG 4.16Å; Y35-F75 HydrophobicContact CG-CE1 4.48Å; F37-F75 WeakPolarHBondContact O-CE1 3.37Å; F37-F75 WeakPolarHBondContact O-CZ 3.37Å; P39-F75 HydrophobicContact CG-CZ 4Å; T59-F75 WeakPolarHBondContact CA-O 3.43Å; I60-F75 HydrophobicContact CB-CB 4.34Å; I60-F75 PolarHBondContact N-O 2.8Å; I60-F75 PolarHBondContact O-N 3.01Å; L62-F75 HydrophobicContact CD1-CE2 4.1Å; T73-F75 HydrophobicContact CG2-CD2 4.02Å; T73-F75 HydrophobicContact CG2-CE2 3.46Å; T73-F75 VanDerWaalsContact CG2-CE2 3.46Å; T73-F75 HydrophobicContact CG2-CZ 3.83Å; F75-V108 HydrophobicContact CB-CB 3.89Å; F75-V108 HydrophobicContact CB-CG2 3.66Å; F75-V108 HydrophobicContact CD1-CG2 4.11Å; F75-V108 HydrophobicContact CG-CG2 4.12Å; F75-K109 CarbonylContact C-O 3.48Å; F75-K109 VanDerWaalsContact CA-O 3.25Å; F75-K109 WeakPolarHBondContact CA-O 3.49Å; F75-K110 HydrophobicContact CD1-CB 3.94Å; F75-K110 HydrophobicContact CE1-CB 3.71Å; F75-K110 HydrophobicContact CE1-CG 4.49Å; F75-K110 HydrophobicContact CZ-CB 4.44Å
76K96.3Very high92.3Very high114 Ų11484.7 Ų84.750%0.49648%0.475SS..EExtended strand (participates in β ladder)trans-133.1145.5175.4-70.5-170.5174.7-170.20111.4V58 T59 V74 V108 K109V58-K76 WeakPolarHBondContact O-CA 3.44Å; T59-K76 HydrophobicContact CG2-CG 4.18Å; V74-K76 HydrophobicContact CG1-CG 4.17Å; K76-V108 WeakPolarHBondContact O-CA 3.15Å; K76-K109 PolarHBondContact N-O 2.88Å; K76-K109 PolarHBondContact O-N 3.02Å
77G96.3Very high92.6Very high25 Ų2577.6 Ų77.626%0.25844%0.443SS..EExtended strand (participates in β ladder)trans-173.9-152.8-176.200000112.4Q57 V58 A107Q57-G77 WeakPolarHBondContact CA-O 3.33Å; V58-G77 PolarHBondContact N-O 2.9Å; V58-G77 PolarHBondContact O-N 3.34Å; G77-A107 VanDerWaalsContact CA-O 3.27Å; G77-A107 WeakPolarHBondContact CA-O 2.96Å
78S96.3Very high93Very high46 Ų4677.3 Ų77.332%0.32242%0.419SS..EExtended strand (participates in β ladder)trans-146.7157.2174.259.70000112.9E56 A107E56-S78 CarbonylContact O-C 3.57Å; E56-S78 WeakPolarHBondContact O-CA 3.22Å; E56-S78 WeakPolarHBondContact O-CB 3.28Å; S78-A107 PolarHBondContact N-O 3.49Å; S78-A107 PolarHBondContact O-N 2.8Å
79K95.2Very high93.3Very high47 Ų4778.2 Ų78.220%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-89.3141.8169.179.4172.8177.663.90111.3E56 V58 N105 I106E56-K79 HydrophobicContact CB-CG 4.06Å; E56-K79 HydrophobicContact CG-CG 4.49Å; E56-K79 PolarHBondContact O-N 2.91Å; E56-K79 IonicContact OE1-NZ 2.67Å; E56-K79 PolarHBondContact OE1-NZ 2.79Å; E56-K79 WeakPolarHBondContact OE2-CE 3.43Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 2.91Å; V58-K79 HydrophobicContact CG2-CB 4.26Å; K79-N105 CarbonylContact C-O 3.44Å; K79-N105 WeakPolarHBondContact CA-O 3.42Å; K79-I106 HydrophobicContact CB-CG1 3.87Å
80R95Very high93.7Very high157 Ų15773.1 Ų73.159%0.59238%0.384SS*.EExtended strand (participates in β ladder)trans-123.4131.4169.6-79.2-175.7-93.5167.3-8.8109.3S104 N105R80-S104 CarbonylContact O-C 3.6Å; R80-S104 VanDerWaalsContact O-CA 3.22Å; R80-S104 WeakPolarHBondContact O-CA 3.19Å; R80-S104 VanDerWaalsContact O-CB 3.28Å; R80-S104 WeakPolarHBondContact O-CB 3.33Å; R80-N105 PolarHBondContact N-O 2.69Å; R80-N105 PolarHBondContact O-N 3.3Å
81P94.9Very high94Very high93 Ų9374.8 Ų74.860%0.60439%0.389SS*.EExtended strand (participates in β ladder)trans-56.3147176.5-26.135000112.7N103P81-N103 WeakPolarHBondContact CA-O 3.34Å
82Y93.5Very high93.9Very high35 Ų3575.2 Ų75.214%0.13738%0.381CS..  trans-95.4153.1166.7-80.8-58.7000110.6T32 R34 E85 L102 N103 N105T32-Y82 HydrophobicContact CG2-CE2 4.17Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.48Å; T32-Y82 PolarHBondContact OG1-OH 3.31Å; R34-Y82 PolarHBondContact NH2-OH 2.84Å; Y82-E85 HydrophobicContact CD1-CB 4.11Å; Y82-E85 HydrophobicContact CD1-CG 4.15Å; Y82-E85 HydrophobicContact CE1-CB 4.29Å; Y82-E85 HydrophobicContact CE1-CG 4.12Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.48Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.41Å; Y82-E85 HydrophobicContact CG-CB 4.29Å; Y82-E85 PolarHBondContact OH-OE2 2.83Å; Y82-L102 WeakPolarHBondContact CB-O 3.43Å; Y82-L102 HydrophobicContact CD2-CB 3.49Å; Y82-L102 VanDerWaalsContact CD2-CB 3.49Å; Y82-L102 HydrophobicContact CE2-CB 3.72Å; Y82-L102 HydrophobicContact CE2-CD1 3.91Å; Y82-L102 HydrophobicContact CE2-CG 4.33Å; Y82-L102 HydrophobicContact CG-CB 4.23Å; Y82-N103 PolarHBondContact N-O 2.88Å; Y82-N105 HydrophobicContact CD1-CB 4.41Å; Y82-N105 HydrophobicContact CD2-CB 4.32Å; Y82-N105 HydrophobicContact CE1-CB 3.87Å; Y82-N105 HydrophobicContact CE2-CB 3.81Å
83M85.8Confident93.9Very high187 Ų18779.9 Ų79.992%0.92140%0.404SS*.SBendtrans-107.1-43-175.9-61.2-170.677.300114.1
84K88Confident93.8Very high204 Ų20484.3 Ų84.389%0.88743%0.431SS*.SBendtrans-144.914.9-177-64.3-168.4177.2-171.80113.8
85E95.3Very high93.6Very high102 Ų10284.3 Ų84.348%0.47744%0.439SS..  trans-82.6139.6176.5-76.3-176.8-139.900111.1Y82 L102Y82-E85 HydrophobicContact CD1-CB 4.11Å; Y82-E85 HydrophobicContact CD1-CG 4.15Å; Y82-E85 HydrophobicContact CE1-CB 4.29Å; Y82-E85 HydrophobicContact CE1-CG 4.12Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.48Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.41Å; Y82-E85 HydrophobicContact CG-CB 4.29Å; Y82-E85 PolarHBondContact OH-OE2 2.83Å; E85-L102 HydrophobicContact CB-CB 4.27Å; E85-L102 HydrophobicContact CB-CD1 4.11Å; E85-L102 PolarHBondContact O-N 3.17Å
86C95.8Very high93.5Very high56 Ų5686.9 Ų86.938%0.37845%0.451SS..EExtended strand (participates in β ladder)trans-134.6158.1176.9-62.30000109.7L99 E100C86-L99 HydrophobicContact CB-CD1 3.85Å; C86-L99 HydrophobicContact CB-CD2 4.35Å; C86-L99 HydrophobicContact CB-CG 3.98Å; C86-E100 CarbonylContact C-O 3.55Å; C86-E100 WeakPolarHBondContact CA-O 3.09Å; C86-E100 VanDerWaalsContact CB-O 3.27Å; C86-E100 WeakPolarHBondContact CB-O 3.33Å
87I95.8Very high93.4Very high54 Ų5482.5 Ų82.528%0.27743%0.432SS..EExtended strand (participates in β ladder)trans-108144165.356175.1000109.8Y30 I89 L99 E100 L102Y30-I87 HydrophobicContact CD1-CD1 3.53Å; Y30-I87 HydrophobicContact CD2-CD1 4.49Å; Y30-I87 HydrophobicContact CE1-CD1 4.05Å; Y30-I87 HydrophobicContact CG-CD1 3.76Å; I87-I89 HydrophobicContact CD1-CD1 4.18Å; I87-I89 HydrophobicContact CD1-CG1 4.12Å; I87-I89 HydrophobicContact CG1-CG1 4.38Å; I87-L99 WeakPolarHBondContact O-CA 3.39Å; I87-E100 HydrophobicContact CD1-CB 4.43Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.19Å; I87-E100 PolarHBondContact O-N 3.47Å; I87-L102 HydrophobicContact CG2-CD1 3.91Å; I87-L102 HydrophobicContact CG2-CD2 3.84Å; I87-L102 HydrophobicContact CG2-CG 3.89Å
88L95.6Very high93.4Very high82 Ų8285 Ų8543%0.42943%0.433SS..EExtended strand (participates in β ladder)trans-97.7119.4165.6178.262.2000108L16 V90 Y97L16-L88 HydrophobicContact CD1-CD1 3.55Å; L88-V90 HydrophobicContact CD2-CG2 4.21Å; L88-V90 HydrophobicContact CG-CG2 4.01Å; L88-Y97 HydrophobicContact CD1-CD1 4.44Å; L88-Y97 HydrophobicContact CD2-CD1 4.32Å
89I94.8Very high93.5Very high57 Ų5784.8 Ų84.829%0.29243%0.428SS..EExtended strand (participates in β ladder)trans-97.4123.6172-56.3177.3000106.8Y30 I87 R98 E100Y30-I89 HydrophobicContact CE1-CD1 3.88Å; I87-I89 HydrophobicContact CD1-CD1 4.18Å; I87-I89 HydrophobicContact CD1-CG1 4.12Å; I87-I89 HydrophobicContact CG1-CG1 4.38Å; I89-R98 PolarHBondContact N-O 2.79Å; I89-R98 PolarHBondContact O-N 3.37Å; I89-E100 HydrophobicContact CD1-CG 3.92Å
90V94.1Very high93.6Very high31 Ų3182.6 Ų82.619%0.18842%0.419CS..EExtended strand (participates in β ladder)trans-112.9122.6174.9-174.70000108.2F9 L88 E96 Y97F9-V90 HydrophobicContact CE1-CG2 3.89Å; F9-V90 HydrophobicContact CZ-CG2 4.33Å; L88-V90 HydrophobicContact CD2-CG2 4.21Å; L88-V90 HydrophobicContact CG-CG2 4.01Å; V90-E96 WeakPolarHBondContact CA-O 3.27Å; V90-Y97 HydrophobicContact CB-CE1 4.45Å; V90-Y97 HydrophobicContact CG1-CD1 4.25Å; V90-Y97 HydrophobicContact CG1-CD2 4.28Å; V90-Y97 HydrophobicContact CG1-CE1 3.86Å; V90-Y97 HydrophobicContact CG1-CE2 3.89Å; V90-Y97 HydrophobicContact CG1-CG 4.45Å; V90-Y97 HydrophobicContact CG2-CD1 3.7Å; V90-Y97 HydrophobicContact CG2-CE1 3.7Å; V90-Y97 HydrophobicContact CG2-CG 4.38Å
91N92.7Very high93.6Very high64 Ų6479.1 Ų79.134%0.34241%0.408SS..EExtended strand (participates in β ladder)trans-100.4105.8171.6-176.6-24.9000108.7D93 T94 G95 E96N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 WeakPolarHBondContact OD1-CB 3.27Å; N91-D93 PolarHBondContact OD1-N 3.29Å; N91-T94 WeakPolarHBondContact CB-OG1 3.42Å; N91-T94 PolarHBondContact ND2-OG1 2.83Å; N91-T94 PolarHBondContact O-N 2.77Å; N91-T94 PolarHBondContact OD1-N 3.07Å; N91-T94 VanDerWaalsContact OD1-N 3.15Å; N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.4Å; N91-E96 HydrophobicContact CB-CB 4.33Å; N91-E96 PolarHBondContact N-O 2.83Å; N91-E96 PolarHBondContact O-N 2.92Å
92H90.1Very high93.7Very high120 Ų12075.4 Ų75.456%0.55638%0.383SS*.THydrogen-bonded Turntrans-72.1-19.9-179-60.5-69.4000113.6N8N8-H92 PolarHBondContact O-CE1 3.27Å
93D92.1Very high93.7Very high160 Ų16077.4 Ų77.486%0.85640%0.396SS*.THydrogen-bonded Turntrans-79.5-29177.6-55.6-45.4000112.1N91N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 WeakPolarHBondContact OD1-CB 3.27Å; N91-D93 PolarHBondContact OD1-N 3.29Å
94T92.3Very high94.2Very high96 Ų9668.5 Ų68.559%0.58935%0.352SS*.THydrogen-bonded Turntrans-111.1-10.6-178.967.20000114.6N91 E96N91-T94 WeakPolarHBondContact CB-OG1 3.42Å; N91-T94 PolarHBondContact ND2-OG1 2.83Å; N91-T94 PolarHBondContact O-N 2.77Å; N91-T94 PolarHBondContact OD1-N 3.07Å; N91-T94 VanDerWaalsContact OD1-N 3.15Å; T94-E96 PolarHBondContact O-N 3.37Å; T94-E96 WeakPolarHBondContact OG1-CB 3.36Å; T94-E96 PolarHBondContact OG1-N 2.83Å
95G89.3Confident94.6Very high40 Ų4060.3 Ų60.341%0.41232%0.318SS..THydrogen-bonded Turntrans68.717.7-170.600000114N91 Y97N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.4Å; G95-Y97 WeakPolarHBondContact O-CD2 3.44Å
96E93.8Very high94.6Very high54 Ų5455.9 Ų55.925%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-83.8125-179.2-178.2166.2129.800112.4K17 V90 N91 T94 R98K17-E96 HydrophobicContact CD-CG 3.98Å; K17-E96 IonicContact NZ-OE2 3.88Å; K17-E96 PolarHBondContact NZ-OE2 3.29Å; V90-E96 WeakPolarHBondContact CA-O 3.27Å; N91-E96 HydrophobicContact CB-CB 4.33Å; N91-E96 PolarHBondContact N-O 2.83Å; N91-E96 PolarHBondContact O-N 2.92Å; T94-E96 PolarHBondContact O-N 3.37Å; T94-E96 WeakPolarHBondContact OG1-CB 3.36Å; T94-E96 PolarHBondContact OG1-N 2.83Å; E96-R98 HydrophobicContact CG-CB 4.4Å; E96-R98 IonicContact OE1-NH1 3.48Å
97Y95.9Very high94.7Very high23 Ų2355 Ų559%0.0930%0.295CS..EExtended strand (participates in β ladder)trans-106.4111170.8-73.5-111.8000108.7F9 H14 K17 L88 V90 G95F9-Y97 AromaticContact CD1-CE1 3.95Å; F9-Y97 HydrophobicContact CD1-CE1 3.95Å; F9-Y97 AromaticContact CE1-CE1 3.96Å; F9-Y97 HydrophobicContact CE1-CE1 3.96Å; H14-Y97 HydrophobicContact CB-CD1 4.38Å; H14-Y97 HydrophobicContact CB-CD2 3.43Å; H14-Y97 VanDerWaalsContact CB-CD2 3.43Å; H14-Y97 HydrophobicContact CB-CE2 3.6Å; H14-Y97 HydrophobicContact CB-CG 3.86Å; H14-Y97 AromaticContact CD2-CE2 3.59Å; H14-Y97 AromaticContact CD2-CZ 3.63Å; H14-Y97 AromaticContact CE1-CE2 3.75Å; H14-Y97 AromaticContact CG-CD2 3.6Å; H14-Y97 AromaticContact CG-CE2 3.2Å; H14-Y97 AromaticContact CG-CZ 3.72Å; H14-Y97 AromaticContact ND1-CD2 3.81Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.4Å; H14-Y97 AromaticContact NE2-CE2 3.89Å; K17-Y97 PolarHBondContact N-O 2.98Å; L88-Y97 HydrophobicContact CD1-CD1 4.44Å; L88-Y97 HydrophobicContact CD2-CD1 4.32Å; V90-Y97 HydrophobicContact CB-CE1 4.45Å; V90-Y97 HydrophobicContact CG1-CD1 4.25Å; V90-Y97 HydrophobicContact CG1-CD2 4.28Å; V90-Y97 HydrophobicContact CG1-CE1 3.86Å; V90-Y97 HydrophobicContact CG1-CE2 3.89Å; V90-Y97 HydrophobicContact CG1-CG 4.45Å; V90-Y97 HydrophobicContact CG2-CD1 3.7Å; V90-Y97 HydrophobicContact CG2-CE1 3.7Å; V90-Y97 HydrophobicContact CG2-CG 4.38Å; G95-Y97 WeakPolarHBondContact O-CD2 3.44Å
98R96.3Very high94.7Very high78 Ų7852.7 Ų52.729%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-123122.9-175.8-167.4173.183.9-153.43.8112.1K17 Y30 I89 E96 E100K17-R98 HydrophobicContact CB-CG 4.42Å; K17-R98 CarbonylContact O-C 3.57Å; K17-R98 WeakPolarHBondContact O-CA 3.4Å; Y30-R98 PolarHBondContact OH-NH2 3.28Å; I89-R98 PolarHBondContact N-O 2.79Å; I89-R98 PolarHBondContact O-N 3.37Å; E96-R98 HydrophobicContact CG-CB 4.4Å; E96-R98 IonicContact OE1-NH1 3.48Å; R98-E100 IonicContact CZ-OE1 2.83Å; R98-E100 IonicContact NE-OE1 2.8Å; R98-E100 PolarHBondContact NE-OE1 2.89Å; R98-E100 IonicContact NH2-OE1 3.19Å; R98-E100 PolarHBondContact NH2-OE1 3.22Å; R98-E100 VanDerWaalsContact NH2-OE1 3.08Å
99L96.9Very high94.7Very high41 Ų4155.6 Ų55.622%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-89132.4174-163.575000110.6L16 K17 L18 G19 F22 C86 I87L16-L99 HydrophobicContact CD1-CB 4.12Å; L16-L99 HydrophobicContact CD2-CB 4.49Å; L16-L99 HydrophobicContact CG-CB 4.41Å; K17-L99 PolarHBondContact O-N 3.3Å; L18-L99 HydrophobicContact CD2-CB 4.14Å; L18-L99 HydrophobicContact CD2-CD2 4.08Å; G19-L99 PolarHBondContact N-O 3.45Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.21Å; F22-L99 HydrophobicContact CE2-CG 4.19Å; F22-L99 WeakPolarHBondContact CE2-O 3.49Å; F22-L99 HydrophobicContact CZ-CD2 3.77Å; F22-L99 HydrophobicContact CZ-CG 4.21Å; C86-L99 HydrophobicContact CB-CD1 3.85Å; C86-L99 HydrophobicContact CB-CD2 4.35Å; C86-L99 HydrophobicContact CB-CG 3.98Å; I87-L99 WeakPolarHBondContact O-CA 3.39Å
100E97.2Very high94.7Very high0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-130.6139.4176-61.4-86.8-154.300110.3G19 E20 T21 Y30 C86 I87 I89 R98G19-E100 VanDerWaalsContact C-OE2 3.28Å; G19-E100 WeakPolarHBondContact CA-OE2 3.41Å; E20-E100 PolarHBondContact N-OE2 2.9Å; T21-E100 WeakPolarHBondContact CB-OE2 3.45Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.32Å; T21-E100 PolarHBondContact N-OE2 3.33Å; T21-E100 VanDerWaalsContact N-OE2 3.13Å; T21-E100 VanDerWaalsContact OG1-CA 3.27Å; T21-E100 WeakPolarHBondContact OG1-CA 3.36Å; T21-E100 PolarHBondContact OG1-OE2 3.37Å; Y30-E100 HydrophobicContact CD2-CB 3.69Å; Y30-E100 HydrophobicContact CD2-CG 4.13Å; Y30-E100 HydrophobicContact CE2-CB 3.56Å; Y30-E100 HydrophobicContact CE2-CG 3.46Å; Y30-E100 VanDerWaalsContact CE2-CG 3.46Å; Y30-E100 WeakPolarHBondContact CE2-OE1 3.5Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-E100 PolarHBondContact OH-OE1 3.14Å; C86-E100 CarbonylContact C-O 3.55Å; C86-E100 WeakPolarHBondContact CA-O 3.09Å; C86-E100 VanDerWaalsContact CB-O 3.27Å; C86-E100 WeakPolarHBondContact CB-O 3.33Å; I87-E100 HydrophobicContact CD1-CB 4.43Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.19Å; I87-E100 PolarHBondContact O-N 3.47Å; I89-E100 HydrophobicContact CD1-CG 3.92Å; R98-E100 IonicContact CZ-OE1 2.83Å; R98-E100 IonicContact NE-OE1 2.8Å; R98-E100 PolarHBondContact NE-OE1 2.89Å; R98-E100 IonicContact NH2-OE1 3.19Å; R98-E100 PolarHBondContact NH2-OE1 3.22Å; R98-E100 VanDerWaalsContact NH2-OE1 3.08Å
101K96.2Very high94.5Very high84 Ų8457.8 Ų57.837%0.36530%0.302SS..EExtended strand (participates in β ladder)trans-70.9138.4174.7-54.2177.8-166.8148.30110.4T21 F22T21-K101 WeakPolarHBondContact O-CD 3.25Å; T21-K101 VanDerWaalsContact O-CE 3.24Å; T21-K101 WeakPolarHBondContact O-CE 3.4Å; T21-K101 PolarHBondContact O-NZ 3.34Å; T21-K101 PolarHBondContact OG1-N 2.77Å; F22-K101 VanDerWaalsContact CD1-CE 3.4Å; F22-K101 HydrophobicContact CD1-CG 4.41Å; F22-K101 HydrophobicContact CD2-CG 4.1Å; F22-K101 HydrophobicContact CE1-CD 4.43Å; F22-K101 HydrophobicContact CE1-CG 4.01Å; F22-K101 HydrophobicContact CE2-CG 3.66Å; F22-K101 HydrophobicContact CG-CG 4.45Å; F22-K101 HydrophobicContact CZ-CD 4.49Å; F22-K101 HydrophobicContact CZ-CG 3.6Å
102L96.4Very high94.1Very high16 Ų1665.2 Ų65.28%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-80.7131.1162.5-71.8173.5000109.2T32 Y82 E85 I87T32-L102 HydrophobicContact CG2-CD1 3.77Å; T32-L102 HydrophobicContact CG2-CD2 3.97Å; Y82-L102 WeakPolarHBondContact CB-O 3.43Å; Y82-L102 HydrophobicContact CD2-CB 3.49Å; Y82-L102 VanDerWaalsContact CD2-CB 3.49Å; Y82-L102 HydrophobicContact CE2-CB 3.72Å; Y82-L102 HydrophobicContact CE2-CD1 3.91Å; Y82-L102 HydrophobicContact CE2-CG 4.33Å; Y82-L102 HydrophobicContact CG-CB 4.23Å; E85-L102 HydrophobicContact CB-CB 4.27Å; E85-L102 HydrophobicContact CB-CD1 4.11Å; E85-L102 PolarHBondContact O-N 3.17Å; I87-L102 HydrophobicContact CG2-CD1 3.91Å; I87-L102 HydrophobicContact CG2-CD2 3.84Å; I87-L102 HydrophobicContact CG2-CG 3.89Å
103N94.6Very high93.1Very high76 Ų7663 Ų6341%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-93.3-43.2-176.8-177.815.3000112A29 Y30 H31 P81 Y82A29-N103 HydrophobicContact CB-CB 3.99Å; Y30-N103 PolarHBondContact O-N 2.85Å; H31-N103 PolarHBondContact CE1-ND2 2.8Å; H31-N103 VanDerWaalsContact CE1-ND2 3.33Å; P81-N103 WeakPolarHBondContact CA-O 3.34Å; Y82-N103 PolarHBondContact N-O 2.88Å
104S95.4Very high91.1Very high1 Ų164.3 Ų64.31%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-150.8149.7176-46.40000114.6H31 T32 R80H31-S104 WeakPolarHBondContact CA-O 3.1Å; H31-S104 WeakPolarHBondContact ND1-CB 3.45Å; H31-S104 PolarHBondContact ND1-N 2.7Å; T32-S104 PolarHBondContact N-O 3.15Å; T32-S104 VanDerWaalsContact N-O 3.07Å; R80-S104 CarbonylContact O-C 3.6Å; R80-S104 VanDerWaalsContact O-CA 3.22Å; R80-S104 WeakPolarHBondContact O-CA 3.19Å; R80-S104 VanDerWaalsContact O-CB 3.28Å; R80-S104 WeakPolarHBondContact O-CB 3.33Å
105N95.5Very high89.2Confident31 Ų3163 Ų6317%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-93117.9169.2-177.516.5000109.4T32 R34 K79 R80 Y82T32-N105 PolarHBondContact OG1-OD1 3.3Å; R34-N105 PolarHBondContact NE-OD1 3.25Å; R34-N105 PolarHBondContact NH2-ND2 3.29Å; R34-N105 PolarHBondContact NH2-OD1 3.2Å; K79-N105 CarbonylContact C-O 3.44Å; K79-N105 WeakPolarHBondContact CA-O 3.42Å; R80-N105 PolarHBondContact N-O 2.69Å; R80-N105 PolarHBondContact O-N 3.3Å; Y82-N105 HydrophobicContact CD1-CB 4.41Å; Y82-N105 HydrophobicContact CD2-CB 4.32Å; Y82-N105 HydrophobicContact CE1-CB 3.87Å; Y82-N105 HydrophobicContact CE2-CB 3.81Å
106I97Very high87.3Confident9 Ų966.1 Ų66.15%0.04635%0.35CS..EExtended strand (participates in β ladder)trans-104.7112179.1-50.4-175.6000107.9H31 T32 V33 R34 V58 K79 V108H31-I106 HydrophobicContact CB-CD1 4.15Å; T32-I106 WeakPolarHBondContact O-CB 3.33Å; T32-I106 PolarHBondContact O-N 3.04Å; V33-I106 CarbonylContact C-O 3.43Å; V33-I106 WeakPolarHBondContact CA-O 3.42Å; V33-I106 HydrophobicContact CG2-CB 4.3Å; V33-I106 HydrophobicContact CG2-CD1 4.29Å; R34-I106 PolarHBondContact N-O 3.05Å; V58-I106 HydrophobicContact CB-CG2 3.94Å; V58-I106 HydrophobicContact CG1-CG2 3.85Å; V58-I106 HydrophobicContact CG2-CG2 3.96Å; K79-I106 HydrophobicContact CB-CG1 3.87Å; I106-V108 HydrophobicContact CG2-CG1 3.88Å
107A96.5Very high85.2Confident39 Ų3967.2 Ų67.232%0.32236%0.363SS..EExtended strand (participates in β ladder)trans-110.7113.8179.300000109.7G77 S78G77-A107 VanDerWaalsContact CA-O 3.27Å; G77-A107 WeakPolarHBondContact CA-O 2.96Å; S78-A107 PolarHBondContact N-O 3.49Å; S78-A107 PolarHBondContact O-N 2.8Å
108V96.5Very high83Confident4 Ų475.1 Ų75.12%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-120.2150.3-174.8-550000112.4V33 R34 Y35 D36 I60 F75 K76 I106V33-V108 HydrophobicContact CG1-CG2 4.46Å; R34-V108 PolarHBondContact O-N 3.39Å; Y35-V108 HydrophobicContact CD1-CG2 3.52Å; Y35-V108 HydrophobicContact CE1-CG2 3.9Å; Y35-V108 HydrophobicContact CG-CG2 4.15Å; D36-V108 PolarHBondContact N-O 3.49Å; I60-V108 HydrophobicContact CD1-CG1 4.1Å; I60-V108 HydrophobicContact CD1-CG2 4.27Å; I60-V108 HydrophobicContact CG1-CG1 4.39Å; F75-V108 HydrophobicContact CB-CB 3.89Å; F75-V108 HydrophobicContact CB-CG2 3.66Å; F75-V108 HydrophobicContact CD1-CG2 4.11Å; F75-V108 HydrophobicContact CG-CG2 4.12Å; K76-V108 WeakPolarHBondContact O-CA 3.15Å; I106-V108 HydrophobicContact CG2-CG1 3.88Å
109K95.7Very high81.1Confident144 Ų14478 Ų7863%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-120.1144.2176.6-66-168.3176-176.90111.9D36 F75 K76 T111D36-K109 HydrophobicContact CB-CG 4.22Å; D36-K109 VanDerWaalsContact CG-CA 3.47Å; D36-K109 WeakPolarHBondContact OD1-CA 3.42Å; D36-K109 WeakPolarHBondContact OD2-CA 3.4Å; D36-K109 VanDerWaalsContact OD2-CB 3.27Å; D36-K109 WeakPolarHBondContact OD2-CB 3.35Å; D36-K109 WeakPolarHBondContact OD2-CG 3.47Å; F75-K109 CarbonylContact C-O 3.48Å; F75-K109 VanDerWaalsContact CA-O 3.25Å; F75-K109 WeakPolarHBondContact CA-O 3.49Å; K76-K109 PolarHBondContact N-O 2.88Å; K76-K109 PolarHBondContact O-N 3.02Å; K109-T111 PolarHBondContact O-N 3.17Å
110K93.3Very high78.8Confident77 Ų7781.6 Ų81.634%0.33543%0.433SS..EExtended strand (participates in β ladder)trans-63118.6176.3179162.7175.7152.80110.1D36 F37 P39 T73 F75D36-K110 PolarHBondContact OD1-N 3.16Å; D36-K110 PolarHBondContact OD2-N 2.86Å; F37-K110 HydrophobicContact CD1-CD 3.87Å; F37-K110 HydrophobicContact CE1-CD 4.24Å; P39-K110 HydrophobicContact CG-CD 4.48Å; T73-K110 HydrophobicContact CG2-CD 3.68Å; T73-K110 HydrophobicContact CG2-CG 3.97Å; T73-K110 PolarHBondContact OG1-NZ 2.9Å; T73-K110 VanDerWaalsContact OG1-NZ 3.17Å; F75-K110 HydrophobicContact CD1-CB 3.94Å; F75-K110 HydrophobicContact CE1-CB 3.71Å; F75-K110 HydrophobicContact CE1-CG 4.49Å; F75-K110 HydrophobicContact CZ-CB 4.44Å
111T91.2Very high76.6Confident57 Ų5784.6 Ų84.635%0.3545%0.454SS..PPolyproline II helixtrans-73.7135.2170.9-53.30000108.2V74 K109V74-T111 WeakPolarHBondContact O-CB 3.34Å; V74-T111 PolarHBondContact O-N 2.96Å; V74-T111 PolarHBondContact O-OG1 2.79Å; K109-T111 PolarHBondContact O-N 3.17Å
112R83.9Confident74.5Confident219 Ų21989.8 Ų89.883%0.82647%0.472SS*.PPolyproline II helixtrans-76.4143.6171-65.9-179.1-179.4173.90.4108.5E114R112-E114 PolarHBondContact O-N 2.88Å
113A68.3Low72.6Confident74 Ų7494 Ų9461%0.61249%0.494SS*.PPolyproline II helixtrans-62.1124167.600000108.9
114E50.8Low70.8Confident188 Ų18895.6 Ų95.688%0.87950%0.499SS*.THydrogen-bonded Turntrans-56.6137170-79.5-61.6158.400109.6R112R112-E114 PolarHBondContact O-N 2.88Å
115G53.3Low69Low68 Ų68101.7 Ų101.770%0.70153%0.527SS*.THydrogen-bonded Turntrans111.8-9.6-176.800000116.5S117G115-S117 VanDerWaalsContact C-N 3.25Å; G115-S117 PolarHBondContact O-N 2.92Å
116S49.4Very low67.1Low106 Ų106106.2 Ų106.274%0.74155%0.547SS*.  trans-70.9-18.8175.1-175.50000113.8K118S116-K118 PolarHBondContact O-N 2.9Å
117S49.7Very low65.1Low77 Ų77109.8 Ų109.854%0.53857%0.57SS.*SBendtrans-76.2115.4179.8-64.40000112G115 I119G115-S117 VanDerWaalsContact C-N 3.25Å; G115-S117 PolarHBondContact O-N 2.92Å; S117-I119 PolarHBondContact O-N 3.17Å
118K49.7Very low63.2Low189 Ų189110.8 Ų110.882%0.82257%0.574SS**THydrogen-bonded Turntrans-63.217.9177-59-177.6179.3179.70115.6S116S116-K118 PolarHBondContact O-N 2.9Å
119I55.2Low61.4Low137 Ų137120.3 Ų120.370%0.70361%0.61SS**THydrogen-bonded Turntrans-90.1-41.9-176.1-54.7174.7000109.6S117 S121 R122S117-I119 PolarHBondContact O-N 3.17Å; I119-S121 PolarHBondContact O-N 2.83Å; I119-R122 PolarHBondContact O-N 2.93Å
120H48.7Very low59.4Low117 Ų117119.9 Ų119.954%0.54261%0.614SS.*Hα-helixtrans-63.6-40-174.9-154.7-86.7000112.9R122 L123 E124H120-R122 PolarHBondContact O-N 2.9Å; H120-R122 VanDerWaalsContact O-N 3.11Å; H120-L123 WeakPolarHBondContact O-CB 3.38Å; H120-L123 PolarHBondContact O-N 2.68Å; H120-E124 IonicContact CE1-OE2 3.53Å; H120-E124 IonicContact CG-OE2 3.97Å; H120-E124 IonicContact ND1-OE2 2.81Å; H120-E124 PolarHBondContact ND1-OE2 2.9Å; H120-E124 PolarHBondContact O-N 2.84Å
121S51.6Low57.5Low64 Ų64120.3 Ų120.345%0.44863%0.626SS.*Hα-helixtrans-62.4-21.1-179.357.60000114.4I119 Q125I119-S121 PolarHBondContact O-N 2.83Å; S121-Q125 WeakPolarHBondContact O-CB 3.33Å; S121-Q125 VanDerWaalsContact O-CG 3.31Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.93Å
122R52.7Low55.8Low192 Ų192125.5 Ų125.573%0.72565%0.646SS**Hα-helixtrans-74.2-38.8172-91.3-171.5169.4-170.2-2.8112.2I119 H120 Q125 Q126I119-R122 PolarHBondContact O-N 2.93Å; H120-R122 PolarHBondContact O-N 2.9Å; H120-R122 VanDerWaalsContact O-N 3.11Å; R122-Q125 PolarHBondContact O-N 3.11Å; R122-Q126 PolarHBondContact O-N 3.36Å; R122-Q126 VanDerWaalsContact O-N 3.12Å
123L56.3Low54.2Low106 Ų106123 Ų12356%0.55564%0.644SS**Hα-helixtrans-64.7-46.6-179.4-174.860.1000110.5H120 Q125 Q126 T127H120-L123 WeakPolarHBondContact O-CB 3.38Å; H120-L123 PolarHBondContact O-N 2.68Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.79Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-Q126 VanDerWaalsContact O-N 3.08Å; L123-T127 PolarHBondContact O-N 3.48Å
124E56.6Low53.3Low108 Ų108127.6 Ų127.651%0.50566%0.655SS.*Hα-helixtrans-66-33.5177.4-68.3171.111000112.7H120 Q126 T127 S128H120-E124 IonicContact CE1-OE2 3.53Å; H120-E124 IonicContact CG-OE2 3.97Å; H120-E124 IonicContact ND1-OE2 2.81Å; H120-E124 PolarHBondContact ND1-OE2 2.9Å; H120-E124 PolarHBondContact O-N 2.84Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.42Å; E124-T127 WeakPolarHBondContact CA-OG1 3.01Å; E124-T127 PolarHBondContact O-OG1 3.13Å; E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 3.4Å; E124-S128 PolarHBondContact O-N 3.17Å; E124-S128 PolarHBondContact O-OG 3.25Å; E124-S128 VanDerWaalsContact O-OG 3.09Å
125Q57.5Low53.4Low130 Ų130128.3 Ų128.361%0.60766%0.655SS**Hα-helixtrans-70.6-19.4172.1-79.2-172.4-24.200114.2S121 R122 L123 R129S121-Q125 WeakPolarHBondContact O-CB 3.33Å; S121-Q125 VanDerWaalsContact O-CG 3.31Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.93Å; R122-Q125 PolarHBondContact O-N 3.11Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.79Å; Q125-R129 WeakPolarHBondContact O-CG 3.43Å
126Q54.5Low52.7Low125 Ų125128.5 Ų128.558%0.58466%0.657SS**Hα-helixtrans-85.5-43.6170.6-75.9-176.5-105.300111.8R122 L123 E124 S128 R129 L130R122-Q126 PolarHBondContact O-N 3.36Å; R122-Q126 VanDerWaalsContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-Q126 VanDerWaalsContact O-N 3.08Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.42Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; Q126-S128 PolarHBondContact O-N 2.8Å; Q126-R129 PolarHBondContact O-N 3.48Å; Q126-L130 PolarHBondContact O-N 3Å
127T56.5Low52.1Low85 Ų85132 Ų13252%0.52167%0.667SS.*Hα-helixtrans-64.3-37.717860.10000112L123 E124 R129 L130 S131L123-T127 PolarHBondContact O-N 3.48Å; E124-T127 WeakPolarHBondContact CA-OG1 3.01Å; E124-T127 PolarHBondContact O-OG1 3.13Å; T127-R129 VanDerWaalsContact C-N 3.27Å; T127-R129 PolarHBondContact O-N 3.22Å; T127-L130 PolarHBondContact O-N 2.8Å; T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 3.42Å
128S55.8Low51.5Low59 Ų59131.8 Ų131.841%0.41368%0.677SS.*Hα-helixtrans-68.9-20.8176.672.10000114.2E124 Q126 S131E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 3.4Å; E124-S128 PolarHBondContact O-N 3.17Å; E124-S128 PolarHBondContact O-OG 3.25Å; E124-S128 VanDerWaalsContact O-OG 3.09Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; Q126-S128 PolarHBondContact O-N 2.8Å; S128-S131 PolarHBondContact O-OG 2.89Å
129R58Low50.9Low205 Ų205130.6 Ų130.677%0.77468%0.68SS**Hα-helixtrans-82.2-34.9174.2-77.7-177.8177.7-138.5-1112.4Q125 Q126 T127Q125-R129 WeakPolarHBondContact O-CG 3.43Å; Q126-R129 PolarHBondContact O-N 3.48Å; T127-R129 VanDerWaalsContact C-N 3.27Å; T127-R129 PolarHBondContact O-N 3.22Å
130L54.1Low50Low135 Ų135131.9 Ų131.971%0.70769%0.688SS**Hα-helixtrans-70.3-35.1177.5-115.866.8000112.8Q126 T127 Q132 Q133Q126-L130 PolarHBondContact O-N 3Å; T127-L130 PolarHBondContact O-N 2.8Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.36Å; L130-Q133 PolarHBondContact O-N 3.39Å
131S54.2Low49.5Very low85 Ų85135.2 Ų135.259%0.59470%0.701SS**G310 helixtrans-72.3-20.2-174.859.40000115T127 S128T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 3.42Å; S128-S131 PolarHBondContact O-OG 2.89Å
132Q54Low48.6Very low166 Ų166139.5 Ų139.578%0.77673%0.725SS**G310 helixtrans-77.7-16.7177.8-71-168.4-2.300114.2L130 M134L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.36Å; Q132-M134 VanDerWaalsContact C-N 3.25Å; Q132-M134 PolarHBondContact O-N 3.27Å
133Q50.6Low47.7Very low168 Ų168135.1 Ų135.179%0.78572%0.724SS**G310 helixtrans-75.6-9.2-175.3-167.6164-16.300114.1L130L130-Q133 PolarHBondContact O-N 3.39Å
134M50.9Low46.6Very low169 Ų169137.2 Ų137.283%0.83374%0.741SS**G310 helixtrans-105.418.4-170.4-63.8-62-75.300115.3Q132Q132-M134 VanDerWaalsContact C-N 3.25Å; Q132-M134 PolarHBondContact O-N 3.27Å
135K51.2Low45.5Very low204 Ų204137.5 Ų137.589%0.88776%0.755SS**  trans-148.468.9179.6-152.9155.6-173.3170.50114.4
136G38.8Very low44.3Very low71 Ų71137.2 Ų137.273%0.73277%0.767SS**  trans-140.514.8-173.100000117.7G138G136-G138 PolarHBondContact O-N 2.75Å
137N37.9Very low43.6Very low180 Ų180141.2 Ų141.296%0.96378%0.783SS**  trans-91.296.9179.6-83.974.4000112.6
138G35.9Very low42.4Very low73 Ų73143 Ų14375%0.75380%0.799SS**  trans-146121.9169.700000111G136G136-G138 PolarHBondContact O-N 2.75Å
139N38.4Very low41.4Very low163 Ų163145.6 Ų145.687%0.87282%0.817SS**  trans-68.2140.9-176-77.3-19.8000112.8
140N35Very low41.3Very low165 Ų165141.6 Ų141.688%0.88282%0.817SS**  -160.4163.6119.3-110.1-38.2000114.5
141K39.2Very low41Very low187 Ų187140.3 Ų140.381%0.81382%0.817SS**  trans-85.7150.3-172.9-57.3168.6-179.7172.30112.3
142T33.2Very low40.1Very low154 Ų154144.5 Ų144.595%0.94583%0.825SS**  -170168.1113.220.80000111.4
143S33.3Very low39.1Very low100 Ų100143.6 Ų143.670%0.69982%0.82SS**  trans-117.6148.8-171.854.50000112.4
144T32.3Very low38.7Very low149 Ų149145.6 Ų145.691%0.91483%0.826SS**  -170.3171129.515.10000110.8
145S34.2Very low38.1Very low115 Ų115143.6 Ų143.680%0.80482%0.824SS**  trans-121.1150.3-164.654.10000113.9
146S33Very low37.6Very low123 Ų123139.4 Ų139.486%0.8682%0.82SS**  trans-155.8159.7150570000110.1
147K38.3Very low38Very low209 Ų209141.3 Ų141.391%0.90982%0.823SS**  trans-122.9132.6-173.8-65174.4177.3176.20110.9
148S31.4Very low38.6Very low123 Ų123135.7 Ų135.786%0.8680%0.801SS**  trans-173.2153.9145.3510000112.1
149S34.8Very low39.7Very low113 Ų113135.3 Ų135.379%0.7979%0.787SS**  trans-162.6175.1176.4-38.10000107.4
150P55.6Low40.7Very low121 Ų121132.3 Ų132.379%0.78678%0.776SS**  cis-117.9-142.4-26.842.1-25.1000107.1
151P49.6Very low41.9Very low109 Ų109130.8 Ų130.871%0.70877%0.765SS**  cis-127.9171.1-22.639.9-25.7000114.2
152K33.5Very low43.3Very low173 Ų173125.1 Ų125.175%0.75274%0.744SS**  trans-167.1157.9130.9-110.5178.8177.4-149.30114.6
153E33.1Very low45Very low146 Ų146121.9 Ų121.968%0.68272%0.721SS**  trans25.3112.3161.3-72.4124.1-134.800119.8T155E153-T155 PolarHBondContact O-N 3.45Å
154K43.3Very low46.9Very low210 Ų210121.7 Ų121.791%0.91371%0.711SS**  trans-79.299.4159.3-74.1-175.2177.3-177.50110.2
155T38.4Very low49Very low127 Ų127120 Ų12078%0.77969%0.693SS**  trans-118.893.9152.749.90000108.1E153 S157E153-T155 PolarHBondContact O-N 3.45Å; T155-S157 PolarHBondContact O-N 3.32Å; T155-S157 VanDerWaalsContact O-N 3.17Å
156S39.5Very low51.2Low116 Ų116121.8 Ų121.881%0.81168%0.682SS**  trans-60.8116.7172.7-540000108.6A158S156-A158 PolarHBondContact O-N 3.47Å
157S47Very low53.1Low112 Ų112122.3 Ų122.378%0.78367%0.671SS**  trans-67.2104.9168.653.50000108.4T155 S159T155-S157 PolarHBondContact O-N 3.32Å; T155-S157 VanDerWaalsContact O-N 3.17Å; S157-S159 PolarHBondContact O-N 3.34Å
158A51.7Low55Low62 Ų62117.4 Ų117.451%0.51265%0.654SS.*  trans-54.3138.8164.300000108.5S156 D162S156-A158 PolarHBondContact O-N 3.47Å; A158-D162 HydrophobicContact CB-CB 4.42Å
159S58Low57.1Low64 Ų64116.6 Ų116.645%0.44864%0.638SS.*  trans-78.2146.1174.4-650000108.4S157 M161 D162S157-S159 PolarHBondContact O-N 3.34Å; S159-M161 PolarHBondContact O-N 2.81Å; S159-D162 WeakPolarHBondContact CB-OD2 3.46Å; S159-D162 PolarHBondContact N-OD2 3.31Å; S159-D162 WeakPolarHBondContact O-CB 3.31Å; S159-D162 PolarHBondContact O-N 3.45Å
160P60.5Low59Low100 Ų100113.8 Ų113.865%0.64962%0.622SS**Hα-helixtrans-57.3-14.3179.3-28.536.3000115.4I164P160-I164 WeakPolarHBondContact O-CD1 3.46Å; P160-I164 WeakPolarHBondContact O-CG1 3.37Å
161M59.8Low59.6Low133 Ų133114.5 Ų114.566%0.65561%0.614SS**Hα-helixtrans-66-39.7169.7-48.9-60.6-170.600112.3S159 D163 I164 E165S159-M161 PolarHBondContact O-N 2.81Å; M161-D163 PolarHBondContact O-N 2.99Å; M161-I164 PolarHBondContact O-N 3.12Å; M161-E165 PolarHBondContact O-N 3.36Å
162D67.8Low60.5Low68 Ų68111.8 Ų111.836%0.36460%0.602SS.*Hα-helixtrans-66.8-22.4-175.3-60.8-58000112.5A158 S159 R166A158-D162 HydrophobicContact CB-CB 4.42Å; S159-D162 WeakPolarHBondContact CB-OD2 3.46Å; S159-D162 PolarHBondContact N-OD2 3.31Å; S159-D162 WeakPolarHBondContact O-CB 3.31Å; S159-D162 PolarHBondContact O-N 3.45Å; D162-R166 WeakPolarHBondContact O-CB 3.46Å; D162-R166 PolarHBondContact O-NE 3.11Å; D162-R166 PolarHBondContact O-NH2 3.3Å
163D70.9Confident62.2Low87 Ų87112.2 Ų112.247%0.46560%0.598SS.*Hα-helixtrans-89.4-38.4176.2-68.1-36.1000111.5M161 R166 E167M161-D163 PolarHBondContact O-N 2.99Å; D163-R166 WeakPolarHBondContact O-CB 3.31Å; D163-R166 PolarHBondContact O-N 3Å; D163-R166 IonicContact OD1-NE 3.66Å; D163-E167 WeakPolarHBondContact O-CB 3.33Å; D163-E167 PolarHBondContact O-N 2.95Å
164I72.6Confident63.8Low95 Ų95110.1 Ų110.149%0.48760%0.595SS.*Hα-helixtrans-63.1-43.9175.4-65.2166.1000111P160 M161 R166 E167 L168P160-I164 WeakPolarHBondContact O-CD1 3.46Å; P160-I164 WeakPolarHBondContact O-CG1 3.37Å; M161-I164 PolarHBondContact O-N 3.12Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.09Å; I164-E167 PolarHBondContact O-N 3.38Å; I164-L168 HydrophobicContact CG2-CD1 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.39Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.2Å
165E75.6Confident64.5Low115 Ų115106 Ų10654%0.53758%0.581SS.*Hα-helixtrans-63.2-37.1176.1-173.6176.2169.200111.7M161 M169M161-E165 PolarHBondContact O-N 3.36Å; E165-M169 HydrophobicContact CG-CE 3.98Å; E165-M169 WeakPolarHBondContact O-CB 3.5Å; E165-M169 WeakPolarHBondContact O-CG 3.39Å; E165-M169 PolarHBondContact O-N 3Å; E165-M169 WeakPolarHBondContact OE1-CE 3.35Å
166R80.5Confident65.5Low152 Ų152106 Ų10657%0.57458%0.576SS**Hα-helixtrans-69.7-38.3178.4-169.8-172.6-43.4-61.6-18.5112.6D162 D163 I164 A170D162-R166 WeakPolarHBondContact O-CB 3.46Å; D162-R166 PolarHBondContact O-NE 3.11Å; D162-R166 PolarHBondContact O-NH2 3.3Å; D163-R166 WeakPolarHBondContact O-CB 3.31Å; D163-R166 PolarHBondContact O-N 3Å; D163-R166 IonicContact OD1-NE 3.66Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.09Å; R166-A170 WeakPolarHBondContact O-CB 3.46Å; R166-A170 PolarHBondContact O-N 3.41Å; R166-A170 VanDerWaalsContact O-N 3.09Å
167E74.1Confident66.3Low134 Ų134108 Ų10863%0.62657%0.573SS**Hα-helixtrans-68.4-45.7176-169.6165.2-148.400110.8D163 I164 M169 A170 E171D163-E167 WeakPolarHBondContact O-CB 3.33Å; D163-E167 PolarHBondContact O-N 2.95Å; I164-E167 PolarHBondContact O-N 3.38Å; E167-M169 PolarHBondContact O-N 3.44Å; E167-A170 WeakPolarHBondContact O-CA 3.36Å; E167-A170 WeakPolarHBondContact O-CB 3.47Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-E171 PolarHBondContact O-N 3.17Å
168L76.4Confident66.5Low106 Ų106109.8 Ų109.856%0.55557%0.571SS**Hα-helixtrans-60.7-42.1174-71.8167.6000112.8I164 A170 A172I164-L168 HydrophobicContact CG2-CD1 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.39Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.2Å; L168-A170 PolarHBondContact O-N 3.18Å; L168-A172 PolarHBondContact O-N 2.99Å
169M75.5Confident66.3Low105 Ų105111.3 Ų111.352%0.51758%0.577SS.*Hα-helixtrans-68.7-19.8173.6-73.8-166.2-168.800113.5E165 E167 R173E165-M169 HydrophobicContact CG-CE 3.98Å; E165-M169 WeakPolarHBondContact O-CB 3.5Å; E165-M169 WeakPolarHBondContact O-CG 3.39Å; E165-M169 PolarHBondContact O-N 3Å; E165-M169 WeakPolarHBondContact OE1-CE 3.35Å; E167-M169 PolarHBondContact O-N 3.44Å; M169-R173 WeakPolarHBondContact O-CD 3.37Å; M169-R173 WeakPolarHBondContact O-CG 3.36Å
170A76.6Confident65.9Low55 Ų55113.1 Ų113.146%0.45559%0.59SS.*Hα-helixtrans-80.7-48.5173.900000111.4R166 E167 L168 A172 R173 V174R166-A170 WeakPolarHBondContact O-CB 3.46Å; R166-A170 PolarHBondContact O-N 3.41Å; R166-A170 VanDerWaalsContact O-N 3.09Å; E167-A170 WeakPolarHBondContact O-CA 3.36Å; E167-A170 WeakPolarHBondContact O-CB 3.47Å; E167-A170 PolarHBondContact O-N 2.98Å; L168-A170 PolarHBondContact O-N 3.18Å; A170-A172 PolarHBondContact O-N 3.43Å; A170-R173 PolarHBondContact O-N 3.26Å; A170-V174 PolarHBondContact O-N 3.39Å
171E66.6Low64.9Low135 Ų135113.4 Ų113.463%0.63159%0.594SS**Hα-helixtrans-58.2-44.3177.7-74.2-159.7123.700112.4E167 R173 V174 M175E167-E171 PolarHBondContact O-N 3.17Å; E171-R173 PolarHBondContact O-N 3.49Å; E171-V174 WeakPolarHBondContact O-CB 3.42Å; E171-V174 PolarHBondContact O-N 3.13Å; E171-M175 PolarHBondContact O-N 3.39Å
172A69Low64.2Low53 Ų53114.4 Ų114.444%0.43860%0.602SS.*Hα-helixtrans-55.3-37178.500000112.8L168 A170 V174 M175 D176L168-A172 PolarHBondContact O-N 2.99Å; A170-A172 PolarHBondContact O-N 3.43Å; A172-V174 VanDerWaalsContact C-N 3.34Å; A172-V174 PolarHBondContact O-N 3.01Å; A172-M175 PolarHBondContact O-N 3.28Å; A172-D176 PolarHBondContact O-N 3.08Å
173R68.6Low63Low181 Ų181117.2 Ų117.268%0.68363%0.627SS**Hα-helixtrans-77.8-14.3179.2-67.4175.7179.1-152.8-0.3114.4M169 A170 E171 Q177M169-R173 WeakPolarHBondContact O-CD 3.37Å; M169-R173 WeakPolarHBondContact O-CG 3.36Å; A170-R173 PolarHBondContact O-N 3.26Å; E171-R173 PolarHBondContact O-N 3.49Å; R173-Q177 PolarHBondContact O-NE2 3.43Å; R173-Q177 VanDerWaalsContact O-NE2 3.13Å
174V66.7Low62.3Low102 Ų102118.2 Ų118.262%0.61864%0.641SS**Hα-helixtrans-80.7-40.1171.8177.60000109.7A170 E171 A172 Q177A170-V174 PolarHBondContact O-N 3.39Å; E171-V174 WeakPolarHBondContact O-CB 3.42Å; E171-V174 PolarHBondContact O-N 3.13Å; A172-V174 VanDerWaalsContact C-N 3.34Å; A172-V174 PolarHBondContact O-N 3.01Å; V174-Q177 PolarHBondContact O-N 3.18Å
175M59.7Low61Low124 Ų124119.5 Ų119.561%0.61166%0.658SS**Hα-helixtrans-70.5-33-177.8-169163.856.300113.8E171 A172 Q177 M178E171-M175 PolarHBondContact O-N 3.39Å; A172-M175 PolarHBondContact O-N 3.28Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 3.27Å; M175-M178 HydrophobicContact CG-SD 4.41Å; M175-M178 WeakPolarHBondContact O-CG 3.29Å; M175-M178 PolarHBondContact O-N 3.02Å
176D58.2Low60Low128 Ų128121 Ų12168%0.68467%0.67SS**G310 helixtrans-64.6-28.5174.3-88.3-7.6000113A172 M178A172-D176 PolarHBondContact O-N 3.08Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 2.87Å
177Q56.8Low58.2Low157 Ų157119.7 Ų119.773%0.73469%0.685SS**G310 helixtrans-83.9-3.3-176.1-74.7-177.391.700114.9R173 V174 M175R173-Q177 PolarHBondContact O-NE2 3.43Å; R173-Q177 VanDerWaalsContact O-NE2 3.13Å; V174-Q177 PolarHBondContact O-N 3.18Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 3.27Å
178M51.2Low57.5Low150 Ų150120.5 Ų120.574%0.73969%0.693SS**G310 helixtrans-96.310.9171.848.7172.6-90.200113.4M175 D176M175-M178 HydrophobicContact CG-SD 4.41Å; M175-M178 WeakPolarHBondContact O-CG 3.29Å; M175-M178 PolarHBondContact O-N 3.02Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 2.87Å
179S48Very low55.9Low93 Ų93120.7 Ų120.765%0.6570%0.703SS**SBendtrans-114.416.9-170.9-580000114.9
180S50Low54.4Low102 Ų102120.9 Ų120.971%0.71372%0.715SS**  trans-136.181.7-17463.60000114.4
181S39.3Very low53.2Low106 Ų106123.6 Ų123.674%0.74173%0.73SS**  trans-152.8104.8160.861.60000111.8
182D44.9Very low52.1Low155 Ų155122.1 Ų122.183%0.82974%0.735SS**  trans40.2111.7151.8-52.3-48.6000120.8
183S42.7Very low51.1Low126 Ų126124.4 Ų124.488%0.88175%0.748SS**  -172.4135.199.4-77.60000112.8
184S55.3Low50.1Low109 Ų109121.1 Ų121.176%0.76275%0.753SS**  trans-94.2146.917654.30000112.9
185S46.2Very low49.2Very low121 Ų121120.1 Ų120.185%0.84675%0.75SS**  trans-174.8132.7136.8-80.10000111.6
186D54.3Low48.9Very low146 Ų146122.5 Ų122.578%0.78176%0.76SS**  trans-81.9158.6178.4-48.2-98.7000113.5
187S43.3Very low48.5Very low126 Ų126123 Ų12388%0.88176%0.763SS**  trans-161.2150.8140.2-87.30000112.5
188N58.8Low48.1Very low151 Ų151120.4 Ų120.481%0.80776%0.762SS**  trans-108.7156.7-165.9-61.1-90000112.7
189S42.8Very low48.4Very low110 Ų110118.8 Ų118.877%0.76977%0.765SS**  trans144.6108.8151.3500000109.1
190S42.7Very low48.8Very low109 Ų109120.4 Ų120.476%0.76278%0.777SS**  101.9127.154.966.60000112.1
191S53.1Low48.9Very low111 Ų111120 Ų12078%0.77677%0.774SS**  trans-29.1154.7165.254.70000116.4
192S43Very low49.4Very low105 Ų105120.9 Ų120.973%0.73478%0.78SS**  cis-170.9160.249.854.20000116.2
193S48.8Very low49.8Very low101 Ų101119.7 Ų119.771%0.70677%0.774SS**  trans13.9144.7144.6-43.10000123.8
194S46.1Very low50Low111 Ų111119.5 Ų119.578%0.77677%0.772SS**  trans62.2147.6139.351.40000120.8
195S48.4Very low50Low82 Ų82121.8 Ų121.857%0.57377%0.771SS**  cis-171.5166.6-14.544.40000111.2
196E52.2Low49.9Very low174 Ų174122.2 Ų122.281%0.81376%0.764SS**  trans55.9159.9147.175.5-151.2101.800125.4
197D50.3Low49.6Very low138 Ų138121.4 Ų121.474%0.73876%0.755SS**  trans61.3118.5158.7-156.857000122.2
198S49.2Very low49.3Very low103 Ų103125.1 Ų125.172%0.7275%0.75SS**  179.816489.1-139.20000114.3
199S57.7Low48.4Very low115 Ų115124.9 Ų124.980%0.80475%0.748SS**  trans-126.3161.4-171-57.40000112.9
200S56.1Low49Very low128 Ų128124.9 Ų124.990%0.89575%0.746SS**  trans-154.5148.2159.2-164.60000112
201S52.8Low48.7Very low93 Ų93123.5 Ų123.565%0.6574%0.741SS**  trans-131.9170.6-174.459.70000111.7
202S49.1Very low47.9Very low125 Ų125126.1 Ų126.187%0.87475%0.746SS**  trans-157.7115.5163.5-72.90000109.4
203D53Low48.7Very low130 Ų130126.6 Ų126.670%0.69575%0.746SS**  trans-91.3162.7-177.3-64.9-72.4000113.1
204S47.7Very low48.8Very low122 Ų122127.6 Ų127.685%0.85375%0.75SS**  trans-159.8100.1156.4-74.50000110.2
205E55Low48.4Very low156 Ų156129.8 Ų129.873%0.72975%0.752SS**  trans-36.1160.8162.3-27.7-70.664.700113.9
206D44.5Very low48.7Very low131 Ų131130.7 Ų130.770%0.70176%0.757SS**  cis-156.7140.53-119.7-25000105.2
207E47.3Very low47.6Very low128 Ų128130.6 Ų130.660%0.59876%0.761SS**  54.1140.589.8-69.9-84.358.900116.4
208R36.3Very low47.1Very low205 Ų205128.2 Ų128.277%0.77476%0.76SS**  cis-150.5159.58.3-165.1164.3-78.3158.13.4112.7
209N41.1Very low47.1Very low145 Ų145128.6 Ų128.678%0.77576%0.76SS**  trans-68.8-176169.9-113.9-39.9000113.2
210P54.2Low46Very low111 Ų111129.5 Ų129.572%0.72176%0.761SS**  cis-142.2164.8-1.533.6-10.4000119.9
211A36.6Very low44.9Very low80 Ų80130.1 Ų130.166%0.66175%0.754SS**  trans42.9116.2136.500000126.1
212L37.4Very low44.2Very low165 Ų165134.4 Ų134.486%0.86476%0.764SS**  trans67163.1139-54.4172.5000119.4
213P59.8Low43.6Very low115 Ų115133.7 Ų133.775%0.74776%0.759SS**  -120.2-153.3-62.840.5-24.2000109.8
214P51Low43Very low122 Ų122135.9 Ų135.979%0.79277%0.767SS**  cis-138.2-134.7-445.4-23.4000114.9
215L36.3Very low43.2Very low157 Ų157135.1 Ų135.182%0.82276%0.76SS**  trans-70175.8176.9-71.1167.5000116.4
216P54.8Low42.3Very low102 Ų102134.1 Ų134.166%0.66276%0.764SS**  cis-131.9177.9-15.933.2-14.4000114.4
217L30.5Very low42.1Very low171 Ų171135 Ų13590%0.89577%0.767SS**  164.7152.3127.1-88.5163.6000113.7
218A38.7Very low41.5Very low88 Ų88134.6 Ų134.673%0.72778%0.778SS**  trans-113.1179.1168.100000108.5
219P48.5Very low41.4Very low111 Ų111131.4 Ų131.472%0.72178%0.782SS**  cis-132.6-171.311.740.5-18.7000114
220T35.2Very low41.1Very low135 Ų135128 Ų12883%0.82878%0.781SS**  -168.3168.284.437.20000112.5
221N34.5Very low40.2Very low141 Ų141129.5 Ų129.575%0.75479%0.788SS**  trans-87.5165.9-166.9-60.3-46.7000116.5
222Q37.1Very low40.2Very low182 Ų182132.9 Ų132.985%0.8580%0.795SS**  trans129.1144.6147.3-70.9157.6112.700112.6
223S35.7Very low40.1Very low110 Ų110133 Ų13377%0.76979%0.79SS**  cis-162.3172.6-11.4-103.70000111.6
224M40.3Very low38.9Very low176 Ų176133.5 Ų133.587%0.86779%0.792SS**  trans-106-177.1171.1-71.1-93.1-120.200110.8
225P52.7Low38.3Very low107 Ų107133.1 Ų133.170%0.69579%0.787SS**  -128.6-180-72.540.1-24.7000112
226V36.7Very low38.2Very low135 Ų135130.5 Ų130.582%0.81878%0.782SS**  trans-136.3133.6164.1-179.30000111.1
227I40.8Very low37.3Very low150 Ų150132.6 Ų132.677%0.76979%0.787SS**  trans-113139.9169.3-63.8169.4000107.6
228S33.8Very low37.6Very low118 Ų118133.3 Ų133.383%0.82579%0.785SS**  trans-135.4144161.9-86.80000110.4
229T34.3Very low37.5Very low139 Ų139138.2 Ų138.285%0.85379%0.793SS**  trans-100.2155.7-171.347.20000112.4
230G33.6Very low37Very low73 Ų73142.5 Ų142.575%0.75380%0.803SS**  trans-165.842.2-168.800000118.7
231T36.4Very low37.2Very low142 Ų142139.2 Ų139.287%0.87180%0.796SS**  trans56.8130.3151.5-46.60000121.7
232N35.8Very low37.7Very low151 Ų151136.2 Ų136.281%0.80780%0.799SS**  trans-46.3147.5176.5-50.6-24.5000117.7
233H34.8Very low38.2Very low167 Ų167129.8 Ų129.877%0.77378%0.781SS**  trans-137.3150.4142.3-168.5-96.5000109.9
234V35.7Very low39Very low127 Ų127126.9 Ų126.977%0.7777%0.769SS**  trans-122.2111.9-173.3177.50000111.5
235T38.9Very low39.9Very low114 Ų114125 Ų12570%0.69976%0.761SS**  trans-149.7108.8165.643.30000106.8
236S33.8Very low40.2Very low101 Ų101125.8 Ų125.871%0.70676%0.759SS**  83.4100.669.7-177.10000113.7
237L34.7Very low41.3Very low146 Ų146125.9 Ų125.976%0.76475%0.752SS**  trans7199.7153.4-64.5170.6000120.8
238H37.1Very low42.1Very low186 Ų186123.7 Ų123.786%0.86174%0.742SS**  59.3118.1127.1-78-124.1000120.5
239Q37.9Very low43.4Very low191 Ų191122.9 Ų122.989%0.89373%0.731SS**  trans-135.2111.6167.6175.9-177.915.600109.7
240E36.4Very low44.6Very low202 Ų202121.2 Ų121.294%0.94472%0.717SS**  trans171.8156.8153.4-101.6-170.6145.700108.5
241G39.7Very low45.9Very low66 Ų66124 Ų12468%0.6871%0.708SS**  cis155.1111.3-3.100000112.6G243G241-G243 PolarHBondContact O-N 2.81Å
242G44.8Very low46.9Very low78 Ų78123.5 Ų123.580%0.80470%0.7SS**  trans77.6-22.1156.900000120.9G244G242-G244 PolarHBondContact O-N 2.87Å
243G49.3Very low47.9Very low47 Ų47123.3 Ų123.349%0.48570%0.699SS.*THydrogen-bonded Turntrans-67.5-28.9-166.800000118.2G241 L245G241-G243 PolarHBondContact O-N 2.81Å; G243-L245 PolarHBondContact O-N 2.76Å
244G51.8Low49.1Very low49 Ų49120.1 Ų120.151%0.50569%0.688SS.*Hα-helixtrans-77.1-23.2-163.900000117.1G242 N248G242-G244 PolarHBondContact O-N 2.87Å; G244-N248 PolarHBondContact O-ND2 3.22Å
245L58.3Low50Low136 Ų136122.9 Ų122.971%0.71269%0.692SS**Hα-helixtrans-75.9-37-171-68.2171.7000112.9G243 N248 T249G243-L245 PolarHBondContact O-N 2.76Å; L245-N248 PolarHBondContact O-N 2.99Å; L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 3.38Å
246I59.8Low50.3Low124 Ų124123.4 Ų123.464%0.63669%0.69SS**Hα-helixtrans-68.6-40.1-174.656.8174.6000113L250I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.09Å
247M58.9Low50.7Low137 Ų137123.6 Ų123.668%0.67569%0.691SS**Hα-helixtrans-67.8-37.2176.1-92-166.9-8400112.2L250 K251M247-L250 PolarHBondContact O-N 3.41Å; M247-K251 PolarHBondContact O-N 3.35Å
248N57.9Low51.5Low104 Ų104124.4 Ų124.456%0.55669%0.691SS**Hα-helixtrans-67.8-36.5179.8-74.5-15.3000112.3G244 L245 N252G244-N248 PolarHBondContact O-ND2 3.22Å; L245-N248 PolarHBondContact O-N 2.99Å; N248-N252 PolarHBondContact O-N 3.43Å; N248-N252 PolarHBondContact O-ND2 3.17Å
249T60.9Low51.9Low100 Ų100120.9 Ų120.961%0.61369%0.687SS**Hα-helixtrans-63.2-46.5171.7-56.20000111.1L245 K251 N252 D253L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 3.38Å; T249-K251 PolarHBondContact O-N 3.19Å; T249-N252 PolarHBondContact O-N 3.27Å; T249-D253 PolarHBondContact O-N 3.06Å; T249-D253 VanDerWaalsContact O-N 3.16Å
250L60.2Low52.4Low104 Ų104115 Ų11555%0.54568%0.677SS.*Hα-helixtrans-63.3-40.1-179.8-68.5169.5000112.8I246 M247 N252 D253 L254I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.09Å; M247-L250 PolarHBondContact O-N 3.41Å; L250-N252 PolarHBondContact O-N 3.4Å; L250-D253 PolarHBondContact O-N 3.35Å; L250-L254 WeakPolarHBondContact O-CB 3.34Å; L250-L254 PolarHBondContact O-N 3.27Å
251K61Low53.1Low132 Ų132111 Ų11157%0.57467%0.672SS**Hα-helixtrans-66.9-20.1176.8-165.9179.3178.2-168.70113.2M247 T249 E258M247-K251 PolarHBondContact O-N 3.35Å; T249-K251 PolarHBondContact O-N 3.19Å; K251-E258 IonicContact NZ-OE1 3.9Å; K251-E258 PolarHBondContact NZ-OE1 3.46Å
252N57Low54.3Low132 Ų132117.2 Ų117.271%0.70668%0.683SS**Hα-helixtrans-89.8-33.4176.3-78.5-86.1000113.3N248 T249 L250N248-N252 PolarHBondContact O-N 3.43Å; N248-N252 PolarHBondContact O-ND2 3.17Å; T249-N252 PolarHBondContact O-N 3.27Å; L250-N252 PolarHBondContact O-N 3.4Å
253D56.7Low54.9Low146 Ų146118.6 Ų118.678%0.78168%0.68SS**Hα-helixtrans-79.6-34.5179.7-156.747.2000111.7T249 L250 Q255T249-D253 PolarHBondContact O-N 3.06Å; T249-D253 VanDerWaalsContact O-N 3.16Å; L250-D253 PolarHBondContact O-N 3.35Å; D253-Q255 PolarHBondContact O-N 3.5Å
254L59.5Low54.8Low101 Ų101128 Ų12853%0.52972%0.719SS.*SBendtrans-86.298.7168.5-70.4158.8000109.8L250 L256L250-L254 WeakPolarHBondContact O-CB 3.34Å; L250-L254 PolarHBondContact O-N 3.27Å; L254-L256 HydrophobicContact CB-CG 4.18Å; L254-L256 PolarHBondContact O-N 2.77Å
255Q55.6Low55Low184 Ų184131.9 Ų131.986%0.8673%0.73SS**  trans-69.369173.4-65.5-175.12.400111.9D253 S257D253-Q255 PolarHBondContact O-N 3.5Å; Q255-S257 PolarHBondContact O-N 3.35Å
256L44.3Very low54.8Low126 Ų126131.7 Ų131.766%0.6673%0.731SS**  trans-77.497.9174.2-61.9179.5000109.2L254 E258L254-L256 HydrophobicContact CB-CG 4.18Å; L254-L256 PolarHBondContact O-N 2.77Å; L256-E258 PolarHBondContact O-N 3.45Å
257S42Very low54.5Low104 Ų104132.1 Ų132.173%0.72774%0.736SS**  trans-53.3123.8171.9-55.50000110.7Q255 S259Q255-S257 PolarHBondContact O-N 3.35Å; S257-S259 PolarHBondContact O-N 3.38Å
258E52.8Low54.3Low164 Ų164131.8 Ų131.877%0.76674%0.74SS**  trans-76.272.1178.5-57.7-171.8153.100109.8K251 L256 G260K251-E258 IonicContact NZ-OE1 3.9Å; K251-E258 PolarHBondContact NZ-OE1 3.46Å; L256-E258 PolarHBondContact O-N 3.45Å; E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.27Å
259S45.4Very low54Low112 Ų112133.6 Ų133.678%0.78375%0.752SS**  trans-69.383.7177.6-65.40000110.7S257S257-S259 PolarHBondContact O-N 3.38Å
260G47.5Very low53.6Low66 Ų66135.8 Ų135.868%0.6876%0.761SS**  trans-63.6142.7177.900000112.8E258 E262E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.27Å; G260-E262 PolarHBondContact O-N 3.42Å; G260-E262 VanDerWaalsContact O-N 3.11Å
261S52.2Low53.1Low119 Ų119138.1 Ų138.183%0.83278%0.776SS**  trans-74.396.2176.1-52.40000110.9
262E63.4Low52.5Low196 Ų196138.5 Ų138.592%0.91679%0.792SS**  trans-67.4140.7162.2-172165.389.600109.3G260G260-E262 PolarHBondContact O-N 3.42Å; G260-E262 VanDerWaalsContact O-N 3.11Å
263S57.4Low52.1Low107 Ų107139.1 Ų139.175%0.74880%0.799SS**  trans-143.3124.7-178-60.40000111.2
264D48.4Very low51.7Low244 Ų244138.5 Ų138.5100%1.30580%0.801SS**  trans-151.10156.4-160.946.4000107.5

Retrieved 264 of 264 residues in 145.8 ms (Link to these results)