A0A087YGV3_POEFO Loading...

Superoxide dismutase [Cu-Zn]

Destroys radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession A0A087YGV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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
1M75.7Confident95.3Very high218 Ų21865.7 Ų65.7100%1.07435%0.348SS*.  0134.50-80.3-174.3-83.100106.6L3M1-L3 PolarHBondContact O-N 3.26Å
2V91.3Very high94.4Very high72 Ų7270.1 Ų70.144%0.43640%0.4SS..  trans-66.3125.6174.7-178.40000108K4 E22 Q23V2-K4 HydrophobicContact CG1-CG 4.32Å; V2-E22 HydrophobicContact CG1-CG 3.39Å; V2-E22 WeakPolarHBondContact CG1-OE1 3.28Å; V2-Q23 CarbonylContact C-O 3.55Å; V2-Q23 WeakPolarHBondContact CA-O 3.44Å
3L97.2Very high94.2Very high64 Ų6469.2 Ų69.234%0.33542%0.416SS..EExtended strand (participates in β ladder)trans-86.8137.9173-61.5178.1000108.9M1 E22 Q23 L107M1-L3 PolarHBondContact O-N 3.26Å; L3-E22 WeakPolarHBondContact O-CA 3.3Å; L3-Q23 HydrophobicContact CB-CB 4.41Å; L3-Q23 PolarHBondContact N-O 3.34Å; L3-Q23 PolarHBondContact O-N 2.86Å; L3-L107 HydrophobicContact CB-CB 3.93Å; L3-L107 HydrophobicContact CB-CD1 4Å; L3-L107 HydrophobicContact CD1-CB 4.02Å; L3-L107 WeakPolarHBondContact O-CD1 3.48Å
4K98.5Very high94.1Very high82 Ų8276.5 Ų76.536%0.35744%0.444SS..EExtended strand (participates in β ladder)trans-130.8143.9177.7-64179.7-179.6174.80111V2 F21 E22 T153 Q154V2-K4 HydrophobicContact CG1-CG 4.32Å; K4-F21 CarbonylContact C-O 3.58Å; K4-F21 VanDerWaalsContact CA-O 3.28Å; K4-F21 WeakPolarHBondContact CA-O 3.26Å; K4-E22 HydrophobicContact CG-CG 4.3Å; K4-T153 HydrophobicContact CB-CG2 3.57Å; K4-T153 PolarHBondContact O-N 3.39Å; K4-Q154 WeakPolarHBondContact CD-O 3.32Å
5A98.8Very high94.4Very high1 Ų172.2 Ų72.21%0.00842%0.419CS..EExtended strand (participates in β ladder)trans-137.3162.2171.300000110.7F21 L107 I114 I150 G151A5-F21 HydrophobicContact CB-CB 4.03Å; A5-F21 HydrophobicContact CB-CD2 4.03Å; A5-F21 HydrophobicContact CB-CG 4.35Å; A5-F21 PolarHBondContact N-O 3.01Å; A5-F21 PolarHBondContact O-N 2.87Å; A5-L107 HydrophobicContact CB-CD1 4.45Å; A5-L107 HydrophobicContact CB-CD2 4.13Å; A5-I114 HydrophobicContact CB-CD1 3.49Å; A5-I114 VanDerWaalsContact CB-CD1 3.49Å; A5-I150 HydrophobicContact CB-CG2 3.78Å; A5-G151 CarbonylContact C-O 3.52Å; A5-G151 WeakPolarHBondContact CA-O 3.29Å; A5-G151 VanDerWaalsContact CB-O 3.26Å; A5-G151 WeakPolarHBondContact CB-O 3.34Å
6V98.9Very high94.6Very high36 Ų3672.3 Ų72.322%0.21842%0.421CS..EExtended strand (participates in β ladder)trans-139.4146.5176.367.90000109.9T18 V19 G151 T153V6-T18 HydrophobicContact CG2-CG2 3.74Å; V6-V19 CarbonylContact C-O 3.6Å; V6-V19 WeakPolarHBondContact CA-O 3.34Å; V6-G151 PolarHBondContact N-O 3.39Å; V6-G151 PolarHBondContact O-N 2.81Å; V6-T153 HydrophobicContact CB-CG2 4.26Å; V6-T153 HydrophobicContact CG1-CG2 4.43Å
7C98.9Very high94.9Very high0 Ų068.5 Ų68.50%040%0.401CS..EExtended strand (participates in β ladder)trans-132.2125.9171.41740000109.1T18 V19 F21 M118 G148 I150C7-T18 WeakPolarHBondContact O-CA 3.48Å; C7-V19 HydrophobicContact CB-CB 4.37Å; C7-V19 PolarHBondContact N-O 3.41Å; C7-V19 PolarHBondContact O-N 3.41Å; C7-F21 HydrophobicContact CB-CE2 3.95Å; C7-M118 HydrophobicContact CB-CB 4.37Å; C7-G148 VanDerWaalsContact SG-CA 3.57Å; C7-G148 PolarHBondContact SG-O 2.91Å; C7-I150 HydrophobicContact CB-CG1 4.03Å
8V98.8Very high95.1Very high75 Ų7567.7 Ų67.746%0.45540%0.397SS..EExtended strand (participates in β ladder)trans-96.6114.8169.4-179.60000107.7K10 G148V8-K10 HydrophobicContact CG1-CG 4.4Å; V8-G148 WeakPolarHBondContact O-CA 3.15Å
9L98.8Very high95.3Very high0 Ų064.1 Ų64.10%038%0.376CS..EExtended strand (participates in β ladder)trans-85.3127179.2-63.6173.3000109.5T16 G17 V19 I36 F46 M118 I120 A146L9-T16 WeakPolarHBondContact O-CA 3.37Å; L9-T16 PolarHBondContact O-OG1 2.88Å; L9-G17 PolarHBondContact N-O 2.89Å; L9-G17 PolarHBondContact O-N 2.86Å; L9-G17 VanDerWaalsContact O-N 3.14Å; L9-V19 HydrophobicContact CD1-CG2 3.7Å; L9-V19 HydrophobicContact CG-CG2 4.16Å; L9-I36 HydrophobicContact CD1-CD1 3.47Å; L9-I36 VanDerWaalsContact CD1-CD1 3.47Å; L9-I36 HydrophobicContact CD1-CG1 3.85Å; L9-F46 HydrophobicContact CD1-CE2 4.28Å; L9-M118 HydrophobicContact CD2-CB 4.04Å; L9-M118 HydrophobicContact CD2-CG 4.06Å; L9-M118 WeakPolarHBondContact CD2-O 3.41Å; L9-I120 HydrophobicContact CD1-CG2 4.33Å; L9-A146 HydrophobicContact CB-CB 4.13Å
10K98.1Very high95.5Very high144 Ų14465.3 Ų65.363%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-135140.3170.7-69.8-170.8175.3-175.60111.3V8 A146 C147V8-K10 HydrophobicContact CG1-CG 4.4Å; K10-A146 VanDerWaalsContact C-CB 3.48Å; K10-A146 WeakPolarHBondContact O-CA 3.45Å; K10-C147 PolarHBondContact N-O 3.25Å; K10-C147 PolarHBondContact O-N 3.28Å
11G93.3Very high95.6Very high31 Ų3162.3 Ų62.332%0.3236%0.36SS..  trans-116.5-179.3175.400000112.9G13 T15 L145G11-G13 VanDerWaalsContact C-N 3.33Å; G11-T15 PolarHBondContact N-O 3.11Å; G11-L145 WeakPolarHBondContact CA-O 3.48Å
12A84.6Confident96.7Very high118 Ų11856.1 Ų56.198%0.97533%0.329SS*.SBendtrans-76.6-23.216900000112.6
13G91.8Very high97Very high59 Ų5952.7 Ų52.761%0.60831%0.308SS*.SBendtrans-97.4-153.1175.700000112.8G11 T15G11-G13 VanDerWaalsContact C-N 3.33Å; G13-T15 VanDerWaalsContact C-N 3.31Å; G13-T15 PolarHBondContact O-N 3.3Å
14E93.1Very high97Very high171 Ų17155.9 Ų55.980%0.79932%0.321SS*.SBendtrans-81-9-177.8-59-171.8161.200113.9T16E14-T16 PolarHBondContact O-N 3.38Å; E14-T16 VanDerWaalsContact O-N 3.16Å
15T98.2Very high96.8Very high12 Ų1255.8 Ų55.87%0.07432%0.324CS..  trans-66.3115.6-178.4-47.50000111.1G11 G13 I36 G37 G38 L39 I120 L145 A146G11-T15 PolarHBondContact N-O 3.11Å; G13-T15 VanDerWaalsContact C-N 3.31Å; G13-T15 PolarHBondContact O-N 3.3Å; T15-I36 HydrophobicContact CG2-CG2 3.88Å; T15-G37 WeakPolarHBondContact CA-O 3.33Å; T15-G38 PolarHBondContact OG1-O 2.85Å; T15-L39 HydrophobicContact CG2-CD2 3.6Å; T15-L39 HydrophobicContact CG2-CG 4.31Å; T15-I120 HydrophobicContact CG2-CG2 4.04Å; T15-L145 HydrophobicContact CG2-CB 4.1Å; T15-A146 HydrophobicContact CG2-CB 3.8Å
16T98.5Very high96.3Very high74 Ų7461.5 Ų61.545%0.45435%0.351SS..EExtended strand (participates in β ladder)trans-144.6150.7178.4177.30000109.9L9 E14 G37L9-T16 WeakPolarHBondContact O-CA 3.37Å; L9-T16 PolarHBondContact O-OG1 2.88Å; E14-T16 PolarHBondContact O-N 3.38Å; E14-T16 VanDerWaalsContact O-N 3.16Å; T16-G37 PolarHBondContact N-O 2.94Å; T16-G37 PolarHBondContact O-N 2.82Å
17G98.6Very high96Very high7 Ų765 Ų657%0.07238%0.377CS..EExtended strand (participates in β ladder)trans-168.7169.4178.900000113L9 E35L9-G17 PolarHBondContact N-O 2.89Å; L9-G17 PolarHBondContact O-N 2.86Å; L9-G17 VanDerWaalsContact O-N 3.14Å; G17-E35 WeakPolarHBondContact CA-O 3.24Å
18T98.8Very high95.9Very high54 Ų5465.6 Ų65.633%0.33138%0.382SS..EExtended strand (participates in β ladder)trans-127.5131.4170.3-56.40000108.9V6 C7 H20 G34 E35V6-T18 HydrophobicContact CG2-CG2 3.74Å; C7-T18 WeakPolarHBondContact O-CA 3.48Å; T18-H20 WeakPolarHBondContact CG2-NE2 3.44Å; T18-G34 VanDerWaalsContact O-CA 3.27Å; T18-G34 WeakPolarHBondContact O-CA 3.41Å; T18-E35 PolarHBondContact N-O 2.9Å; T18-E35 VanDerWaalsContact N-O 3.1Å; T18-E35 PolarHBondContact O-N 2.92Å
19V98.9Very high95.9Very high0 Ų063.8 Ų63.80%037%0.372CS..EExtended strand (participates in β ladder)trans-120.2128.8-179.8-170.30000108.3V6 C7 L9 F21 V32 T33 F46 I98V6-V19 CarbonylContact C-O 3.6Å; V6-V19 WeakPolarHBondContact CA-O 3.34Å; C7-V19 HydrophobicContact CB-CB 4.37Å; C7-V19 PolarHBondContact N-O 3.41Å; C7-V19 PolarHBondContact O-N 3.41Å; L9-V19 HydrophobicContact CD1-CG2 3.7Å; L9-V19 HydrophobicContact CG-CG2 4.16Å; V19-F21 HydrophobicContact CB-CE2 4.11Å; V19-F21 HydrophobicContact CB-CZ 4.22Å; V19-F21 HydrophobicContact CG1-CE1 4.21Å; V19-F21 HydrophobicContact CG1-CE2 3.8Å; V19-F21 HydrophobicContact CG1-CZ 3.59Å; V19-V32 HydrophobicContact CG1-CG1 3.36Å; V19-T33 CarbonylContact C-O 3.59Å; V19-T33 WeakPolarHBondContact CA-O 3.05Å; V19-F46 HydrophobicContact CG1-CZ 4.13Å; V19-F46 HydrophobicContact CG2-CE2 4.46Å; V19-F46 HydrophobicContact CG2-CZ 3.99Å; V19-I98 HydrophobicContact CG1-CD1 4.2Å; V19-I98 HydrophobicContact CG2-CD1 3.75Å
20H98.8Very high95.9Very high87 Ų8763.8 Ų63.840%0.40337%0.372SS..EExtended strand (participates in β ladder)trans-110.5140.3178.3-60.8-79000110T18 V32 T33T18-H20 WeakPolarHBondContact CG2-NE2 3.44Å; H20-V32 CarbonylContact O-C 3.56Å; H20-V32 VanDerWaalsContact O-CA 3.29Å; H20-V32 WeakPolarHBondContact O-CA 3.43Å; H20-T33 PolarHBondContact N-O 3.2Å; H20-T33 PolarHBondContact O-N 3.04Å
21F98.8Very high95.9Very high3 Ų362 Ų621%0.01336%0.364CS..EExtended strand (participates in β ladder)trans-123134.6177.7-50.5-101.4000108.9K4 A5 C7 V19 V30 K31 V32 I105 L107 I113 M118 I150K4-F21 CarbonylContact C-O 3.58Å; K4-F21 VanDerWaalsContact CA-O 3.28Å; K4-F21 WeakPolarHBondContact CA-O 3.26Å; A5-F21 HydrophobicContact CB-CB 4.03Å; A5-F21 HydrophobicContact CB-CD2 4.03Å; A5-F21 HydrophobicContact CB-CG 4.35Å; A5-F21 PolarHBondContact N-O 3.01Å; A5-F21 PolarHBondContact O-N 2.87Å; C7-F21 HydrophobicContact CB-CE2 3.95Å; V19-F21 HydrophobicContact CB-CE2 4.11Å; V19-F21 HydrophobicContact CB-CZ 4.22Å; V19-F21 HydrophobicContact CG1-CE1 4.21Å; V19-F21 HydrophobicContact CG1-CE2 3.8Å; V19-F21 HydrophobicContact CG1-CZ 3.59Å; F21-V30 HydrophobicContact CB-CG1 3.96Å; F21-V30 HydrophobicContact CD1-CG1 4.22Å; F21-K31 CarbonylContact C-O 3.55Å; F21-K31 VanDerWaalsContact CA-O 3.3Å; F21-K31 WeakPolarHBondContact CA-O 3.45Å; F21-V32 HydrophobicContact CD1-CB 4.39Å; F21-V32 HydrophobicContact CD1-CG1 3.98Å; F21-V32 HydrophobicContact CD1-CG2 3.77Å; F21-V32 HydrophobicContact CE1-CG1 3.73Å; F21-V32 HydrophobicContact CE1-CG2 4.03Å; F21-V32 HydrophobicContact CZ-CG1 4.3Å; F21-I105 HydrophobicContact CD1-CD1 4.38Å; F21-L107 HydrophobicContact CB-CD1 4.07Å; F21-L107 HydrophobicContact CB-CD2 3.88Å; F21-L107 HydrophobicContact CG-CD2 4.47Å; F21-I113 HydrophobicContact CD1-CD1 3.73Å; F21-I113 HydrophobicContact CE1-CD1 3.78Å; F21-I113 HydrophobicContact CG-CD1 4.48Å; F21-M118 HydrophobicContact CE1-CE 3.51Å; F21-M118 HydrophobicContact CZ-CE 3.43Å; F21-M118 VanDerWaalsContact CZ-CE 3.43Å; F21-I150 HydrophobicContact CD2-CG2 4.12Å; F21-I150 HydrophobicContact CE2-CG1 4.23Å; F21-I150 HydrophobicContact CE2-CG2 4Å; F21-I150 HydrophobicContact CZ-CD1 4.33Å; F21-I150 HydrophobicContact CZ-CG1 4.22Å
22E98.6Very high96.1Very high89 Ų8960.5 Ų60.542%0.41635%0.349SS..EExtended strand (participates in β ladder)trans-135.8133.8177.9-170.1172.5157.700110.6V2 L3 K4 V30 K31V2-E22 HydrophobicContact CG1-CG 3.39Å; V2-E22 WeakPolarHBondContact CG1-OE1 3.28Å; L3-E22 WeakPolarHBondContact O-CA 3.3Å; K4-E22 HydrophobicContact CG-CG 4.3Å; E22-V30 WeakPolarHBondContact O-CA 3.38Å; E22-K31 PolarHBondContact N-O 3.23Å; E22-K31 PolarHBondContact O-N 3.35Å
23Q98.2Very high96.8Very high0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-138.4116.4179-165.9-175.98.100110.5V2 L3 N25 E26 A28 V30 L107V2-Q23 CarbonylContact C-O 3.55Å; V2-Q23 WeakPolarHBondContact CA-O 3.44Å; L3-Q23 HydrophobicContact CB-CB 4.41Å; L3-Q23 PolarHBondContact N-O 3.34Å; L3-Q23 PolarHBondContact O-N 2.86Å; Q23-N25 VanDerWaalsContact CG-O 3.29Å; Q23-N25 WeakPolarHBondContact CG-O 3.41Å; Q23-N25 PolarHBondContact NE2-O 2.85Å; Q23-N25 VanDerWaalsContact NE2-O 3.1Å; Q23-N25 PolarHBondContact O-N 3.48Å; Q23-E26 PolarHBondContact NE2-O 2.8Å; Q23-A28 HydrophobicContact CG-CB 4.49Å; Q23-A28 PolarHBondContact NE2-O 3.43Å; Q23-V30 HydrophobicContact CB-CG2 4.1Å; Q23-V30 HydrophobicContact CG-CG2 4.02Å; Q23-L107 HydrophobicContact CB-CB 4.42Å; Q23-L107 HydrophobicContact CB-CD1 3.82Å; Q23-L107 HydrophobicContact CB-CG 4.02Å
24E96.1Very high97.2Very high130 Ų13055 Ų5561%0.60730%0.295SS*.SBendtrans-64.5-40.3-174.9-66.2-179.3179.700113.3A28E24-A28 HydrophobicContact CB-CB 4.06Å
25N93.9Very high97.4Very high80 Ų8051.6 Ų51.643%0.42828%0.279SS..SBendtrans-160.8171.4178.361.772.9000109.7Q23 S27 A28Q23-N25 VanDerWaalsContact CG-O 3.29Å; Q23-N25 WeakPolarHBondContact CG-O 3.41Å; Q23-N25 PolarHBondContact NE2-O 2.85Å; Q23-N25 VanDerWaalsContact NE2-O 3.1Å; Q23-N25 PolarHBondContact O-N 3.48Å; N25-S27 VanDerWaalsContact C-N 3.28Å; N25-S27 PolarHBondContact O-N 3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.22Å; N25-S27 PolarHBondContact OD1-N 3.49Å; N25-S27 VanDerWaalsContact OD1-N 3.09Å; N25-A28 WeakPolarHBondContact O-CB 3.14Å; N25-A28 PolarHBondContact O-N 3.09Å; N25-A28 PolarHBondContact OD1-N 2.61Å
26E89.8Confident97.4Very high121 Ų12151 Ų5157%0.56528%0.276SS*.THydrogen-bonded Turntrans-58.6-35.5-174.4-171.1170.8-171.500114Q23 K106Q23-E26 PolarHBondContact NE2-O 2.8Å; E26-K106 PolarHBondContact O-NZ 3.2Å
27S92.3Very high97.4Very high111 Ų11148.5 Ų48.578%0.77626%0.264SS*.THydrogen-bonded Turntrans-78.2-21.7177.5-52.90000113N25N25-S27 VanDerWaalsContact C-N 3.28Å; N25-S27 PolarHBondContact O-N 3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.22Å; N25-S27 PolarHBondContact OD1-N 3.49Å; N25-S27 VanDerWaalsContact OD1-N 3.09Å
28A96.4Very high97.4Very high11 Ų1149.8 Ų49.89%0.09128%0.277CS..SBendtrans-69.9148.9178.400000111.5Q23 E24 N25 K106Q23-A28 HydrophobicContact CG-CB 4.49Å; Q23-A28 PolarHBondContact NE2-O 3.43Å; E24-A28 HydrophobicContact CB-CB 4.06Å; N25-A28 WeakPolarHBondContact O-CB 3.14Å; N25-A28 PolarHBondContact O-N 3.09Å; N25-A28 PolarHBondContact OD1-N 2.61Å; A28-K106 PolarHBondContact O-NZ 2.88Å
29P97.8Very high97.4Very high38 Ų3847.4 Ų47.425%0.24726%0.262CS..PPolyproline II helixtrans-66.5156.6166.627.9-32.9000110.8K101 D102P29-K101 HydrophobicContact CB-CG 3.91Å; P29-K101 HydrophobicContact CG-CD 4.2Å; P29-K101 HydrophobicContact CG-CG 4.02Å; P29-D102 CarbonylContact C-O 3.52Å; P29-D102 VanDerWaalsContact CA-O 3.31Å; P29-D102 WeakPolarHBondContact CA-O 3.28Å; P29-D102 VanDerWaalsContact CB-O 3.3Å; P29-D102 WeakPolarHBondContact CB-O 3.38Å
30V98.6Very high97.3Very high0 Ų051.7 Ų51.70%029%0.289CS..EExtended strand (participates in β ladder)trans-87.5127.2173.4-178.60000108.6F21 E22 Q23 V32 K101 D102 I105 L107F21-V30 HydrophobicContact CB-CG1 3.96Å; F21-V30 HydrophobicContact CD1-CG1 4.22Å; E22-V30 WeakPolarHBondContact O-CA 3.38Å; Q23-V30 HydrophobicContact CB-CG2 4.1Å; Q23-V30 HydrophobicContact CG-CG2 4.02Å; V30-V32 HydrophobicContact CG1-CG2 4.2Å; V30-K101 WeakPolarHBondContact O-CA 3.45Å; V30-D102 PolarHBondContact N-O 2.85Å; V30-D102 PolarHBondContact O-N 3.04Å; V30-I105 HydrophobicContact CB-CD1 3.81Å; V30-I105 HydrophobicContact CB-CG1 3.84Å; V30-I105 HydrophobicContact CG1-CD1 3.81Å; V30-I105 HydrophobicContact CG1-CG1 4.37Å; V30-I105 HydrophobicContact CG2-CD1 4.3Å; V30-I105 HydrophobicContact CG2-CG1 3.96Å; V30-I105 VanDerWaalsContact CG2-O 3.27Å; V30-I105 WeakPolarHBondContact CG2-O 3.33Å; V30-L107 HydrophobicContact CG1-CD2 4.35Å; V30-L107 HydrophobicContact CG1-CG 4.38Å; V30-L107 HydrophobicContact CG2-CG 4.21Å
31K98.7Very high97.3Very high106 Ų10651.4 Ų51.446%0.46130%0.295SS..EExtended strand (participates in β ladder)trans-86.9128.2167.8-172.4178.5-177.3-176.60108.7F21 E22 T33F21-K31 CarbonylContact C-O 3.55Å; F21-K31 VanDerWaalsContact CA-O 3.3Å; F21-K31 WeakPolarHBondContact CA-O 3.45Å; E22-K31 PolarHBondContact N-O 3.23Å; E22-K31 PolarHBondContact O-N 3.35Å; K31-T33 HydrophobicContact CD-CG2 4.24Å; K31-T33 HydrophobicContact CG-CG2 4.09Å
32V98.8Very high97.3Very high0 Ų052.8 Ų52.80%031%0.309CS..EExtended strand (participates in β ladder)trans-116.3122.6178.2-168.90000108.3V19 H20 F21 V30 F46 I98 D99 I100 I105V19-V32 HydrophobicContact CG1-CG1 3.36Å; H20-V32 CarbonylContact O-C 3.56Å; H20-V32 VanDerWaalsContact O-CA 3.29Å; H20-V32 WeakPolarHBondContact O-CA 3.43Å; F21-V32 HydrophobicContact CD1-CB 4.39Å; F21-V32 HydrophobicContact CD1-CG1 3.98Å; F21-V32 HydrophobicContact CD1-CG2 3.77Å; F21-V32 HydrophobicContact CE1-CG1 3.73Å; F21-V32 HydrophobicContact CE1-CG2 4.03Å; F21-V32 HydrophobicContact CZ-CG1 4.3Å; V30-V32 HydrophobicContact CG1-CG2 4.2Å; V32-F46 HydrophobicContact CG1-CE1 4.45Å; V32-I98 HydrophobicContact CB-CG2 4.5Å; V32-I98 HydrophobicContact CG1-CG2 4.07Å; V32-D99 WeakPolarHBondContact O-CA 3.45Å; V32-I100 HydrophobicContact CB-CB 4.16Å; V32-I100 PolarHBondContact N-O 2.67Å; V32-I100 PolarHBondContact O-N 2.84Å; V32-I105 HydrophobicContact CG2-CD1 3.91Å
33T98.9Very high97.3Very high43 Ų4353.6 Ų53.626%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-136.5161.3-17852.60000111.4V19 H20 K31 I98V19-T33 CarbonylContact C-O 3.59Å; V19-T33 WeakPolarHBondContact CA-O 3.05Å; H20-T33 PolarHBondContact N-O 3.2Å; H20-T33 PolarHBondContact O-N 3.04Å; K31-T33 HydrophobicContact CD-CG2 4.24Å; K31-T33 HydrophobicContact CG-CG2 4.09Å; T33-I98 VanDerWaalsContact CA-O 3.28Å; T33-I98 WeakPolarHBondContact CA-O 3.39Å
34G98.6Very high97.3Very high19 Ų1953.7 Ų53.720%0.19631%0.314CS..EExtended strand (participates in β ladder)trans146.7-167.8176.600000112.9T18 I98T18-G34 VanDerWaalsContact O-CA 3.27Å; T18-G34 WeakPolarHBondContact O-CA 3.41Å; G34-I98 PolarHBondContact N-O 3.44Å; G34-I98 PolarHBondContact O-N 3.39Å
35E98.6Very high97.5Very high99 Ų9947.5 Ų47.546%0.46329%0.285SS..EExtended strand (participates in β ladder)trans-142143.2178.7-62.3-171.4160.100110.2G17 T18 I95 A96 K97G17-E35 WeakPolarHBondContact CA-O 3.24Å; T18-E35 PolarHBondContact N-O 2.9Å; T18-E35 VanDerWaalsContact N-O 3.1Å; T18-E35 PolarHBondContact O-N 2.92Å; E35-I95 HydrophobicContact CB-CG2 4.36Å; E35-A96 WeakPolarHBondContact CA-O 3.43Å; E35-K97 HydrophobicContact CG-CG 4.19Å; E35-K97 VanDerWaalsContact OE1-CE 3.27Å; E35-K97 WeakPolarHBondContact OE1-CE 3.09Å
36I98.8Very high97.7Very high0 Ų043.7 Ų43.70%026%0.264CS..EExtended strand (participates in β ladder)trans-125.9120.3174.7-50.4176.6000107.6L9 T15 L39 F46 I95 A96 I98 I120L9-I36 HydrophobicContact CD1-CD1 3.47Å; L9-I36 VanDerWaalsContact CD1-CD1 3.47Å; L9-I36 HydrophobicContact CD1-CG1 3.85Å; T15-I36 HydrophobicContact CG2-CG2 3.88Å; I36-L39 HydrophobicContact CB-CD1 3.97Å; I36-L39 HydrophobicContact CG2-CD1 3.82Å; I36-L39 HydrophobicContact CG2-CD2 4.33Å; I36-L39 HydrophobicContact CG2-CG 4.03Å; I36-F46 HydrophobicContact CD1-CD2 4.42Å; I36-F46 HydrophobicContact CD1-CE2 3.95Å; I36-I95 CarbonylContact O-C 3.05Å; I36-I95 WeakPolarHBondContact O-CA 3.49Å; I36-A96 PolarHBondContact N-O 3.09Å; I36-A96 PolarHBondContact O-N 3.36Å; I36-I98 HydrophobicContact CD1-CD1 3.89Å; I36-I98 HydrophobicContact CG1-CD1 3.91Å; I36-I120 HydrophobicContact CD1-CB 4.14Å; I36-I120 HydrophobicContact CD1-CD1 4.13Å; I36-I120 HydrophobicContact CD1-CG1 4.08Å
37G98.5Very high98.1Very high21 Ų2138 Ų3822%0.21624%0.238CC..EExtended strand (participates in β ladder)trans-101.6168.3174.800000112.2T15 T16 N94T15-G37 WeakPolarHBondContact CA-O 3.33Å; T16-G37 PolarHBondContact N-O 2.94Å; T16-G37 PolarHBondContact O-N 2.82Å; G37-N94 CarbonylContact C-O 3.57Å; G37-N94 WeakPolarHBondContact CA-O 3.46Å
38G97.7Very high98.4Very high33 Ų3332.7 Ų32.734%0.3420%0.201SC..SBendtrans73.631.3177.800000112.9T15 N94T15-G38 PolarHBondContact OG1-O 2.85Å; G38-N94 PolarHBondContact N-O 3.03Å
39L98.1Very high98.6Very high4 Ų432.2 Ų32.22%0.02120%0.196CC..PPolyproline II helixtrans-101.5152.5174.2-65.6174.8000110.4T15 I36 A90 N94 A96 I120 L145T15-L39 HydrophobicContact CG2-CD2 3.6Å; T15-L39 HydrophobicContact CG2-CG 4.31Å; I36-L39 HydrophobicContact CB-CD1 3.97Å; I36-L39 HydrophobicContact CG2-CD1 3.82Å; I36-L39 HydrophobicContact CG2-CD2 4.33Å; I36-L39 HydrophobicContact CG2-CG 4.03Å; L39-A90 HydrophobicContact CB-CB 3.65Å; L39-A90 HydrophobicContact CD1-CB 4.09Å; L39-N94 PolarHBondContact N-O 3.28Å; L39-N94 VanDerWaalsContact O-CA 3.31Å; L39-N94 WeakPolarHBondContact O-CA 3.49Å; L39-N94 WeakPolarHBondContact O-CB 3.49Å; L39-N94 PolarHBondContact O-OD1 3.31Å; L39-A96 HydrophobicContact CD1-CB 3.61Å; L39-I120 HydrophobicContact CD1-CG1 4.44Å; L39-I120 HydrophobicContact CD2-CG1 3.98Å; L39-L145 HydrophobicContact CD2-CD1 3.64Å
40T97.9Very high98.6Very high90 Ų9031 Ų3155%0.55219%0.19SC*.PPolyproline II helixtrans-70.8149.5166.248.40000110.1G42 H44 A90T40-G42 PolarHBondContact O-N 3.1Å; T40-H44 PolarHBondContact O-NE2 2.99Å; T40-H44 PolarHBondContact OG1-CE1 3Å; T40-H44 PolarHBondContact OG1-NE2 3.09Å; T40-A90 WeakPolarHBondContact O-CB 3.43Å
41P98.4Very high98.6Very high82 Ų8236.5 Ų36.553%0.53221%0.214SC..SBendtrans-59.8134175.2-24.234.8000111.7A90 N94P41-A90 WeakPolarHBondContact CA-O 3.1Å; P41-N94 WeakPolarHBondContact CD-OD1 3.31Å
42G98.6Very high98.6Very high31 Ų3133.2 Ų33.232%0.3221%0.21SC..EExtended strand (participates in β ladder)trans129.4-169.1-178.100000114T40 T89 A90T40-G42 PolarHBondContact O-N 3.1Å; G42-T89 CarbonylContact O-C 3.56Å; G42-T89 WeakPolarHBondContact O-CA 3.39Å; G42-A90 PolarHBondContact N-O 3.04Å; G42-A90 PolarHBondContact O-N 2.98Å
43E98.8Very high98.6Very high107 Ų10736.2 Ų36.250%0.523%0.226SC..EExtended strand (participates in β ladder)trans-86.6141.4179.4-68.2-174136.500111.9N87 V88 K123 A124E43-N87 HydrophobicContact CB-CB 4.05Å; E43-N87 HydrophobicContact CG-CB 4.33Å; E43-V88 WeakPolarHBondContact CA-O 3.28Å; E43-K123 CarbonylContact O-C 3.56Å; E43-A124 HydrophobicContact CB-CB 3.78Å; E43-A124 WeakPolarHBondContact O-CA 3.27Å; E43-A124 PolarHBondContact O-N 3.22Å; E43-A124 VanDerWaalsContact O-N 3.15Å
44H98.8Very high98.5Very high2 Ų237 Ų371%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-133.5126.3179.2-72.4-87.9000110T40 N87 V88 I120 H121 E122T40-H44 PolarHBondContact O-NE2 2.99Å; T40-H44 PolarHBondContact OG1-CE1 3Å; T40-H44 PolarHBondContact OG1-NE2 3.09Å; H44-N87 VanDerWaalsContact C-OD1 3.25Å; H44-N87 VanDerWaalsContact O-CA 3.31Å; H44-N87 WeakPolarHBondContact O-CA 3.45Å; H44-N87 PolarHBondContact O-OD1 2.94Å; H44-V88 HydrophobicContact CB-CG2 4.37Å; H44-V88 PolarHBondContact N-O 3.28Å; H44-V88 PolarHBondContact O-N 2.78Å; H44-I120 HydrophobicContact CB-CD1 3.51Å; H44-I120 HydrophobicContact CB-CG1 4.17Å; H44-H121 PolarHBondContact ND1-O 3.24Å; H44-E122 PolarHBondContact CE1-O 3.19Å; H44-E122 VanDerWaalsContact CE1-O 3.24Å; H44-E122 PolarHBondContact ND1-O 2.78Å
45G98.8Very high98.5Very high0 Ų041.9 Ų41.90%026%0.255CS..EExtended strand (participates in β ladder)trans-60.4136.9177.900000111.7G86 N87 H121 K123G45-G86 CarbonylContact C-O 3.3Å; G45-G86 WeakPolarHBondContact CA-O 3.26Å; G45-N87 WeakPolarHBondContact CA-OD1 3.29Å; G45-N87 PolarHBondContact N-OD1 3.3Å; G45-H121 WeakPolarHBondContact O-CB 3.29Å; G45-H121 PolarHBondContact O-CD2 3.21Å; G45-H121 PolarHBondContact O-N 3.25Å; G45-K123 PolarHBondContact N-O 2.82Å
46F98.9Very high98.4Very high0 Ų042.3 Ų42.30%026%0.26CS..EExtended strand (participates in β ladder)trans-136.5110.1-169.1-170.1-121.9000110.1L9 V19 V32 I36 L85 G86 V88 I98 I100 M118 I120L9-F46 HydrophobicContact CD1-CE2 4.28Å; V19-F46 HydrophobicContact CG1-CZ 4.13Å; V19-F46 HydrophobicContact CG2-CE2 4.46Å; V19-F46 HydrophobicContact CG2-CZ 3.99Å; V32-F46 HydrophobicContact CG1-CE1 4.45Å; I36-F46 HydrophobicContact CD1-CD2 4.42Å; I36-F46 HydrophobicContact CD1-CE2 3.95Å; F46-L85 HydrophobicContact CD1-CB 4.15Å; F46-L85 HydrophobicContact CD1-CD1 4.1Å; F46-L85 HydrophobicContact CE1-CD1 4.09Å; F46-L85 WeakPolarHBondContact O-CA 3.34Å; F46-L85 VanDerWaalsContact O-CB 3.31Å; F46-L85 WeakPolarHBondContact O-CB 3.33Å; F46-L85 PolarHBondContact O-N 2.86Å; F46-G86 PolarHBondContact N-O 2.89Å; F46-V88 HydrophobicContact CB-CG1 4.12Å; F46-V88 HydrophobicContact CB-CG2 4.5Å; F46-V88 HydrophobicContact CD1-CG1 3.87Å; F46-V88 HydrophobicContact CE1-CG1 4.42Å; F46-V88 HydrophobicContact CG-CG1 3.95Å; F46-I98 HydrophobicContact CE1-CD1 4.35Å; F46-I98 HydrophobicContact CE1-CG2 4.49Å; F46-I98 HydrophobicContact CZ-CD1 3.93Å; F46-I100 HydrophobicContact CD1-CD1 4.09Å; F46-I100 HydrophobicContact CE1-CD1 4.39Å; F46-M118 HydrophobicContact CD1-SD 4.25Å; F46-M118 HydrophobicContact CD2-CG 4.36Å; F46-M118 HydrophobicContact CD2-SD 4.01Å; F46-M118 HydrophobicContact CE1-CE 4.06Å; F46-M118 HydrophobicContact CE1-SD 3.82Å; F46-M118 HydrophobicContact CE2-CG 3.49Å; F46-M118 VanDerWaalsContact CE2-CG 3.49Å; F46-M118 HydrophobicContact CE2-SD 3.56Å; F46-M118 VanDerWaalsContact CE2-SD 3.56Å; F46-M118 HydrophobicContact CG-SD 4.34Å; F46-M118 HydrophobicContact CZ-CE 3.96Å; F46-M118 HydrophobicContact CZ-CG 3.59Å; F46-M118 HydrophobicContact CZ-SD 3.46Å; F46-M118 WeakPolarHBondContact CZ-SD 3.31Å; F46-I120 HydrophobicContact CB-CD1 4.34Å; F46-I120 HydrophobicContact CD2-CB 4.26Å; F46-I120 HydrophobicContact CD2-CD1 3.89Å
47H98.9Very high98.3Very high0 Ų044 Ų440%028%0.278CS..EExtended strand (participates in β ladder)trans-138.9147.8-167-44.7116.7000113.2H64 H72 G83 V119 H121 D125H47-H64 AromaticContact CD2-CE1 3.72Å; H47-H64 AromaticContact CE1-CE1 3.55Å; H47-H64 AromaticContact CE1-NE2 3.79Å; H47-H64 AromaticContact CG-CE1 3.54Å; H47-H64 AromaticContact CG-NE2 3.68Å; H47-H64 AromaticContact ND1-CE1 3.44Å; H47-H64 PolarHBondContact ND1-CE1 3.14Å; H47-H64 AromaticContact ND1-NE2 3.33Å; H47-H64 PolarHBondContact ND1-NE2 3.39Å; H47-H64 AromaticContact NE2-CE1 3.73Å; H47-H72 AromaticContact NE2-CE1 3.89Å; H47-G83 CarbonylContact C-O 3.58Å; H47-G83 VanDerWaalsContact CA-O 3.28Å; H47-G83 WeakPolarHBondContact CA-O 3.49Å; H47-V119 PolarHBondContact N-O 3.44Å; H47-V119 PolarHBondContact O-N 3.04Å; H47-H121 AromaticContact CE1-CD2 3.77Å; H47-H121 AromaticContact CE1-NE2 3.9Å; H47-H121 AromaticContact ND1-CD2 3.22Å; H47-H121 PolarHBondContact ND1-CD2 3.15Å; H47-H121 AromaticContact ND1-NE2 3.1Å; H47-H121 PolarHBondContact ND1-NE2 2.77Å; H47-H121 VanDerWaalsContact ND1-NE2 3.1Å; H47-D125 IonicContact CD2-OD2 3.77Å; H47-D125 IonicContact CE1-OD2 3.79Å; H47-D125 IonicContact NE2-OD2 3.15Å; H47-D125 PolarHBondContact NE2-OD2 3.47Å
48V98.9Very high98.3Very high0 Ų043.9 Ų43.90%027%0.274CS..EExtended strand (participates in β ladder)trans-86121.6161.3-176.80000109Y65 G83 L85 I113 R116 T117 M118 I150V48-Y65 WeakPolarHBondContact O-CB 3.37Å; V48-Y65 PolarHBondContact O-N 2.83Å; V48-G83 PolarHBondContact N-O 3.1Å; V48-L85 HydrophobicContact CG2-CD1 4.44Å; V48-I113 HydrophobicContact CB-CG2 4.4Å; V48-I113 HydrophobicContact CG1-CB 4.04Å; V48-I113 HydrophobicContact CG1-CG2 3.92Å; V48-I113 HydrophobicContact CG2-CB 4.45Å; V48-I113 HydrophobicContact CG2-CD1 4.32Å; V48-I113 HydrophobicContact CG2-CG2 4.18Å; V48-R116 HydrophobicContact CG1-CB 3.7Å; V48-T117 CarbonylContact C-O 3.56Å; V48-T117 WeakPolarHBondContact CA-O 3.4Å; V48-M118 HydrophobicContact CG2-CE 3.49Å; V48-M118 VanDerWaalsContact CG2-CE 3.49Å; V48-M118 HydrophobicContact CG2-SD 4.16Å; V48-I150 HydrophobicContact CG1-CD1 4.05Å; V48-I150 HydrophobicContact CG2-CD1 4.14Å
49H98.9Very high98.3Very high1 Ų148 Ų481%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-93.9155.1175.8-79-113.5000112.2F51 A61 G62 P63 H64 R116 T117 V119 H121 R144H49-F51 PolarHBondContact O-N 3.29Å; H49-A61 HydrophobicContact CB-CB 3.75Å; H49-G62 PolarHBondContact ND1-O 3.26Å; H49-P63 CarbonylContact C-O 3.48Å; H49-P63 VanDerWaalsContact CA-O 3.28Å; H49-P63 WeakPolarHBondContact CA-O 3.26Å; H49-P63 WeakPolarHBondContact CB-O 3.46Å; H49-P63 PolarHBondContact ND1-O 3.05Å; H49-H64 AromaticContact CE1-CD2 3.61Å; H49-H64 AromaticContact NE2-CD2 3.58Å; H49-H64 AromaticContact NE2-NE2 3.96Å; H49-R116 WeakPolarHBondContact O-CB 3.44Å; H49-T117 PolarHBondContact N-O 3.45Å; H49-T117 PolarHBondContact O-N 2.84Å; H49-V119 HydrophobicContact CB-CG2 4.15Å; H49-V119 WeakPolarHBondContact CD2-CG2 3.02Å; H49-H121 AromaticContact NE2-CE1 3.97Å; H49-H121 AromaticContact NE2-NE2 3.32Å; H49-H121 PolarHBondContact NE2-NE2 2.75Å; H49-R144 PolarHBondContact CE1-NH2 3.01Å
50A98.7Very high98.3Very high14 Ų1449 Ų4912%0.11629%0.294CS..SBendtrans-61.4-38.8-165.900000114.2A61 P63 R116A50-A61 PolarHBondContact N-O 2.92Å; A50-P63 HydrophobicContact CB-CG 4.38Å; A50-P63 PolarHBondContact N-O 2.89Å; A50-R116 PolarHBondContact O-NH1 3.41Å
51F98.8Very high98.3Very high115 Ų11544.8 Ų44.850%0.50427%0.268SS..  trans-112.4135.5-170.4-48.6-54.9000111.8H49 D53 A61 T117H49-F51 PolarHBondContact O-N 3.29Å; F51-D53 HydrophobicContact CB-CB 4.11Å; F51-D53 PolarHBondContact O-N 2.04Å; F51-A61 WeakPolarHBondContact CD2-O 3.47Å; F51-A61 PolarHBondContact N-O 3.07Å; F51-A61 WeakPolarHBondContact O-CA 3.13Å; F51-T117 WeakPolarHBondContact O-CB 3.27Å; F51-T117 PolarHBondContact O-OG1 3.18Å
52G98.6Very high98.3Very high36 Ų3641.7 Ų41.737%0.37125%0.251SS..  trans-76.740.1165.500000112.9G115 T117G52-G115 WeakPolarHBondContact CA-O 3.43Å; G52-G115 PolarHBondContact N-O 2.79Å; G52-T117 WeakPolarHBondContact CA-OG1 3.49Å
53D98.7Very high98.3Very high64 Ų6444.2 Ų44.234%0.34226%0.262SS..  trans-111.1116.1-176.7-174.7-10.8000109.3F51 T55 S60 A61F51-D53 HydrophobicContact CB-CB 4.11Å; F51-D53 PolarHBondContact O-N 2.04Å; D53-T55 VanDerWaalsContact OD1-CB 3.22Å; D53-T55 WeakPolarHBondContact OD1-CB 3.21Å; D53-T55 WeakPolarHBondContact OD1-CG2 2.99Å; D53-T55 PolarHBondContact OD1-N 2.81Å; D53-T55 PolarHBondContact OD1-OG1 3.41Å; D53-T55 PolarHBondContact OD2-OG1 3.09Å; D53-S60 CarbonylContact O-C 3.53Å; D53-S60 WeakPolarHBondContact O-CB 3.41Å; D53-S60 WeakPolarHBondContact OD1-CB 3.43Å; D53-A61 PolarHBondContact O-N 3.41Å
54N97.4Very high98.3Very high58 Ų5839.5 Ų39.531%0.3124%0.24SC..  trans-116.619.6177-70.333.1000112N56 G57 T117 C147N54-N56 PolarHBondContact O-N 2.88Å; N54-G57 WeakPolarHBondContact CA-O 3.29Å; N54-G57 PolarHBondContact O-N 3.19Å; N54-T117 PolarHBondContact OD1-OG1 2.97Å; N54-C147 PolarHBondContact ND2-SG 3.09Å
55T98Very high98.3Very high122 Ų12239.9 Ų39.975%0.74824%0.241SC*.THydrogen-bonded Turntrans-58.8-30.8-176.850.40000113.7D53 S60D53-T55 VanDerWaalsContact OD1-CB 3.22Å; D53-T55 WeakPolarHBondContact OD1-CB 3.21Å; D53-T55 WeakPolarHBondContact OD1-CG2 2.99Å; D53-T55 PolarHBondContact OD1-N 2.81Å; D53-T55 PolarHBondContact OD1-OG1 3.41Å; D53-T55 PolarHBondContact OD2-OG1 3.09Å; T55-S60 PolarHBondContact OG1-OG 3.32Å; T55-S60 VanDerWaalsContact OG1-OG 3.09Å
56N96.8Very high98.3Very high108 Ų10842 Ų4258%0.57825%0.253SS*.THydrogen-bonded Turntrans-118.645171.7-168.124.3000110.7N54 S60N54-N56 PolarHBondContact O-N 2.88Å; N56-S60 VanDerWaalsContact CB-OG 3.28Å; N56-S60 WeakPolarHBondContact CB-OG 3.13Å; N56-S60 PolarHBondContact N-OG 3.09Å
57G96.9Very high98.3Very high37 Ų3744.8 Ų44.838%0.38127%0.27SS..G310 helixtrans60.5-150.7-17300000111.9N54 I59 S60N54-G57 WeakPolarHBondContact CA-O 3.29Å; N54-G57 PolarHBondContact O-N 3.19Å; G57-I59 PolarHBondContact O-N 3.3Å; G57-I59 VanDerWaalsContact O-N 3.09Å; G57-S60 PolarHBondContact O-N 3.37Å
58C97.9Very high98.2Very high17 Ų1750 Ų5012%0.11529%0.293CS..G310 helixtrans-66.4-14.8-173.9-52.80000114.2A61 R144 C147C58-A61 WeakPolarHBondContact O-CB 2.98Å; C58-A61 PolarHBondContact O-N 2.83Å; C58-R144 HydrophobicContact CB-CB 3.71Å; C58-R144 HydrophobicContact CB-CG 4.41Å; C58-R144 VanDerWaalsContact O-CD 3.3Å; C58-R144 WeakPolarHBondContact O-CD 3.31Å; C58-R144 PolarHBondContact O-NH1 2.69Å; C58-C147 WeakPolarHBondContact CA-SG 3.17Å; C58-C147 HydrophobicContact CB-CB 3.72Å; C58-C147 WeakPolarHBondContact CB-SG 3.35Å; C58-C147 WeakPolarHBondContact SG-CB 3.36Å; C58-C147 PolarHBondContact SG-N 2.75Å; C58-C147 VanDerWaalsContact SG-N 3.41Å; C58-C147 CovalentContact SG-SG 2.04Å; C58-C147 PolarHBondContact SG-SG 2.7Å
59I97.3Very high98.2Very high120 Ų12055.3 Ų55.362%0.61533%0.33SS*.G310 helixtrans-65.2-41.1179-63.8172.9000110.6G57 A61 G62 R144G57-I59 PolarHBondContact O-N 3.3Å; G57-I59 VanDerWaalsContact O-N 3.09Å; I59-A61 PolarHBondContact O-N 2.95Å; I59-A61 VanDerWaalsContact O-N 3.09Å; I59-G62 PolarHBondContact O-N 3.25Å; I59-R144 PolarHBondContact O-NH1 3.33Å
60S98.4Very high98.1Very high26 Ų2658.4 Ų58.418%0.18234%0.344CS..G310 helixtrans-63.1-17.1-178.4-700000113.8D53 T55 N56 G57 G62D53-S60 CarbonylContact O-C 3.53Å; D53-S60 WeakPolarHBondContact O-CB 3.41Å; D53-S60 WeakPolarHBondContact OD1-CB 3.43Å; T55-S60 PolarHBondContact OG1-OG 3.32Å; T55-S60 VanDerWaalsContact OG1-OG 3.09Å; N56-S60 VanDerWaalsContact CB-OG 3.28Å; N56-S60 WeakPolarHBondContact CB-OG 3.13Å; N56-S60 PolarHBondContact N-OG 3.09Å; G57-S60 PolarHBondContact O-N 3.37Å; S60-G62 PolarHBondContact O-N 2.97Å
61A98.6Very high98.1Very high0 Ų063.3 Ų63.30%036%0.363CS..G310 helixtrans-63.7-15.4177.900000113.8H49 A50 F51 D53 C58 I59 T117H49-A61 HydrophobicContact CB-CB 3.75Å; A50-A61 PolarHBondContact N-O 2.92Å; F51-A61 WeakPolarHBondContact CD2-O 3.47Å; F51-A61 PolarHBondContact N-O 3.07Å; F51-A61 WeakPolarHBondContact O-CA 3.13Å; D53-A61 PolarHBondContact O-N 3.41Å; C58-A61 WeakPolarHBondContact O-CB 2.98Å; C58-A61 PolarHBondContact O-N 2.83Å; I59-A61 PolarHBondContact O-N 2.95Å; I59-A61 VanDerWaalsContact O-N 3.09Å; A61-T117 HydrophobicContact CB-CG2 3.76Å
62G98.5Very high98.1Very high17 Ų1758 Ų5818%0.17534%0.339CS..  trans77-156.117600000113.6H49 I59 S60 R144H49-G62 PolarHBondContact ND1-O 3.26Å; I59-G62 PolarHBondContact O-N 3.25Å; S60-G62 PolarHBondContact O-N 2.97Å; G62-R144 VanDerWaalsContact O-CZ 3.31Å; G62-R144 PolarHBondContact O-NH1 3.36Å; G62-R144 PolarHBondContact O-NH2 3.03Å
63P98.6Very high98.1Very high84 Ų8456.4 Ų56.455%0.54532%0.323SS..SBendtrans-75.8179.2178.334.2-36.6000111.8H49 A50H49-P63 CarbonylContact C-O 3.48Å; H49-P63 VanDerWaalsContact CA-O 3.28Å; H49-P63 WeakPolarHBondContact CA-O 3.26Å; H49-P63 WeakPolarHBondContact CB-O 3.46Å; H49-P63 PolarHBondContact ND1-O 3.05Å; A50-P63 HydrophobicContact CB-CG 4.38Å; A50-P63 PolarHBondContact N-O 2.89Å
64H98.8Very high98.1Very high9 Ų953.4 Ų53.44%0.04231%0.307CS..BIsolated β-bridgetrans-57.4149.1169.4-63.1-171.1000110.1H47 H49 N66 H72 H81 D84H47-H64 AromaticContact CD2-CE1 3.72Å; H47-H64 AromaticContact CE1-CE1 3.55Å; H47-H64 AromaticContact CE1-NE2 3.79Å; H47-H64 AromaticContact CG-CE1 3.54Å; H47-H64 AromaticContact CG-NE2 3.68Å; H47-H64 AromaticContact ND1-CE1 3.44Å; H47-H64 PolarHBondContact ND1-CE1 3.14Å; H47-H64 AromaticContact ND1-NE2 3.33Å; H47-H64 PolarHBondContact ND1-NE2 3.39Å; H47-H64 AromaticContact NE2-CE1 3.73Å; H49-H64 AromaticContact CE1-CD2 3.61Å; H49-H64 AromaticContact NE2-CD2 3.58Å; H49-H64 AromaticContact NE2-NE2 3.96Å; H64-N66 PolarHBondContact O-N 3.36Å; H64-H72 AromaticContact CE1-CE1 3.55Å; H64-H72 AromaticContact CE1-ND1 3.44Å; H64-H72 PolarHBondContact CE1-ND1 3.04Å; H64-H72 AromaticContact ND1-CE1 3.7Å; H64-H72 AromaticContact ND1-ND1 3.25Å; H64-H72 PolarHBondContact ND1-ND1 2.87Å; H64-H81 HydrophobicContact CB-CB 4.31Å; H64-H81 WeakPolarHBondContact CB-ND1 3.28Å; H64-H81 AromaticContact CG-ND1 3.84Å; H64-H81 AromaticContact ND1-ND1 3.54Å; H64-D84 IonicContact CE1-OD1 3.18Å; H64-D84 IonicContact CG-OD1 3.29Å; H64-D84 IonicContact ND1-OD1 3.18Å; H64-D84 PolarHBondContact ND1-OD1 2.86Å
65Y98.8Very high98.1Very high10 Ų1052.9 Ų52.94%0.03931%0.307CS..  trans-69.7103.9177.6174.1-135.1000110.6V48 P67 V82 G83 P110 N111 I113 R116V48-Y65 WeakPolarHBondContact O-CB 3.37Å; V48-Y65 PolarHBondContact O-N 2.83Å; Y65-P67 HydrophobicContact CE1-CG 4.3Å; Y65-P67 HydrophobicContact CE2-CB 3.86Å; Y65-P67 HydrophobicContact CE2-CG 3.75Å; Y65-V82 HydrophobicContact CD1-CB 3.84Å; Y65-V82 HydrophobicContact CD1-CG1 3.64Å; Y65-V82 HydrophobicContact CE1-CB 3.93Å; Y65-V82 HydrophobicContact CE1-CG1 3.5Å; Y65-V82 VanDerWaalsContact CE1-CG1 3.5Å; Y65-V82 PolarHBondContact O-N 2.79Å; Y65-V82 VanDerWaalsContact O-N 3.13Å; Y65-G83 PolarHBondContact O-N 2.61Å; Y65-P110 PolarHBondContact OH-O 3.45Å; Y65-N111 WeakPolarHBondContact OH-CA 3.3Å; Y65-I113 HydrophobicContact CD1-CG2 4.21Å; Y65-I113 HydrophobicContact CE1-CG2 4.37Å; Y65-R116 VanDerWaalsContact CD2-CZ 3.43Å; Y65-R116 VanDerWaalsContact CZ-CZ 3.47Å; Y65-R116 VanDerWaalsContact CZ-NH2 3.31Å; Y65-R116 PolarHBondContact OH-NH2 3.07Å
66N98.4Very high98Very high45 Ų4553.1 Ų53.124%0.24131%0.308CS..  trans-130.675.7-173.6-174.412.8000111.9H64 F68 S69 K70 H81H64-N66 PolarHBondContact O-N 3.36Å; N66-F68 PolarHBondContact O-N 3.26Å; N66-S69 PolarHBondContact OD1-N 2.86Å; N66-K70 PolarHBondContact ND2-N 3.27Å; N66-K70 PolarHBondContact ND2-O 3.49Å; N66-K70 PolarHBondContact OD1-N 2.82Å; N66-H81 HydrophobicContact CB-CB 4Å; N66-H81 PolarHBondContact ND2-CD2 3.16Å; N66-H81 PolarHBondContact ND2-NE2 3.21Å
67P98.1Very high98.1Very high57 Ų5750.1 Ų50.137%0.3729%0.292SS..THydrogen-bonded Turntrans-70.5-12.9-179.630.6-34.9000113.4Y65 V82Y65-P67 HydrophobicContact CE1-CG 4.3Å; Y65-P67 HydrophobicContact CE2-CB 3.86Å; Y65-P67 HydrophobicContact CE2-CG 3.75Å; P67-V82 HydrophobicContact CG-CB 4.27Å; P67-V82 HydrophobicContact CG-CG2 3.61Å
68F97.9Very high98Very high110 Ų11056.3 Ų56.348%0.48231%0.311SS..THydrogen-bonded Turntrans-108.44.9-175.1-56.3-59.1000113.6N66 K70 V82 N111N66-F68 PolarHBondContact O-N 3.26Å; F68-K70 HydrophobicContact CB-CG 4.09Å; F68-K70 PolarHBondContact O-N 2.94Å; F68-V82 HydrophobicContact CD2-CG2 3.67Å; F68-V82 HydrophobicContact CE2-CG2 3.5Å; F68-N111 VanDerWaalsContact CZ-OD1 3.23Å; F68-N111 WeakPolarHBondContact CZ-OD1 3.36Å
69S97.8Very high98Very high111 Ų11159.8 Ų59.878%0.77633%0.326SS*.  trans52.437.1-178.8-570000113.7N66N66-S69 PolarHBondContact OD1-N 2.86Å
70K98.2Very high98.1Very high66 Ų6654.2 Ų54.229%0.28730%0.297SS..PPolyproline II helixtrans-80169.4174.9-69.9-166.1172.7-154.50111.6N66 F68 E78 R80 H81N66-K70 PolarHBondContact ND2-N 3.27Å; N66-K70 PolarHBondContact ND2-O 3.49Å; N66-K70 PolarHBondContact OD1-N 2.82Å; F68-K70 HydrophobicContact CB-CG 4.09Å; F68-K70 PolarHBondContact O-N 2.94Å; K70-E78 PolarHBondContact NZ-O 3.32Å; K70-R80 WeakPolarHBondContact CB-O 3.14Å; K70-R80 WeakPolarHBondContact CD-O 3.41Å; K70-H81 PolarHBondContact O-CD2 2.82Å; K70-H81 VanDerWaalsContact O-CD2 3.22Å; K70-H81 PolarHBondContact O-NE2 2.85Å; K70-H81 VanDerWaalsContact O-NE2 3.14Å
71K98.6Very high98.1Very high117 Ų11753.5 Ų53.551%0.50929%0.291SS..PPolyproline II helixtrans-76.7158.9165.1-66.7173.9174.4-177.80111E79 R80 H81 L136K71-E79 HydrophobicContact CB-CG 4.09Å; K71-E79 PolarHBondContact N-OE1 2.83Å; K71-R80 CarbonylContact O-C 3.58Å; K71-R80 VanDerWaalsContact O-C 3.3Å; K71-R80 WeakPolarHBondContact O-CA 3.28Å; K71-H81 PolarHBondContact O-N 2.78Å; K71-L136 HydrophobicContact CD-CD1 4.17Å; K71-L136 HydrophobicContact CD-CD2 4.42Å
72H98.8Very high98.1Very high4 Ų453.5 Ų53.52%0.01929%0.291CS..PPolyproline II helixtrans-62.1144.8169.3-175.477.2000110.7H47 H64 H81 D84 D125 S135 L136 G139H47-H72 AromaticContact NE2-CE1 3.89Å; H64-H72 AromaticContact CE1-CE1 3.55Å; H64-H72 AromaticContact CE1-ND1 3.44Å; H64-H72 PolarHBondContact CE1-ND1 3.04Å; H64-H72 AromaticContact ND1-CE1 3.7Å; H64-H72 AromaticContact ND1-ND1 3.25Å; H64-H72 PolarHBondContact ND1-ND1 2.87Å; H72-H81 VanDerWaalsContact CA-CE1 3.48Å; H72-H81 WeakPolarHBondContact CA-CE1 3.37Å; H72-H81 PolarHBondContact N-CE1 3.32Å; H72-H81 PolarHBondContact N-NE2 2.73Å; H72-H81 AromaticContact ND1-ND1 3.74Å; H72-D84 WeakPolarHBondContact CA-OD2 3.36Å; H72-D84 IonicContact CE1-OD1 3.02Å; H72-D84 IonicContact CE1-OD2 3.55Å; H72-D84 IonicContact CG-OD2 2.98Å; H72-D84 IonicContact ND1-OD1 3.98Å; H72-D84 PolarHBondContact ND1-OD1 3.04Å; H72-D84 VanDerWaalsContact ND1-OD1 3.15Å; H72-D84 IonicContact ND1-OD2 3.98Å; H72-D84 PolarHBondContact ND1-OD2 2.86Å; H72-D125 IonicContact CD2-OD1 3.69Å; H72-D125 IonicContact CE1-OD1 3.58Å; H72-D125 IonicContact CE1-OD2 2.77Å; H72-D125 PolarHBondContact CE1-OD2 3.22Å; H72-D125 IonicContact NE2-OD1 3.72Å; H72-D125 PolarHBondContact NE2-OD1 3.28Å; H72-D125 IonicContact NE2-OD2 2.77Å; H72-D125 PolarHBondContact NE2-OD2 2.88Å; H72-S135 PolarHBondContact CD2-O 2.79Å; H72-L136 VanDerWaalsContact CB-O 3.29Å; H72-L136 WeakPolarHBondContact CB-O 3.48Å; H72-L136 PolarHBondContact N-O 2.89Å; H72-G139 PolarHBondContact CD2-N 3.39Å; H72-G139 WeakPolarHBondContact NE2-CA 3.14Å
73G98.5Very high98.1Very high2 Ų252.7 Ų52.72%0.02128%0.283CS..  trans-162.7177.7177.300000112.7D84G73-D84 PolarHBondContact N-OD2 3.31Å; G73-D84 WeakPolarHBondContact O-CB 3.27Å
74G98.4Very high98.1Very high1 Ų148.7 Ų48.71%0.0126%0.257CS..  trans-76.1165.1176.200000113.2T76 D77 R80 L127G74-T76 PolarHBondContact O-N 3.32Å; G74-D77 PolarHBondContact N-OD2 3.19Å; G74-D77 WeakPolarHBondContact O-CB 3.42Å; G74-D77 PolarHBondContact O-N 3.03Å; G74-R80 WeakPolarHBondContact O-CD 3.3Å; G74-L127 PolarHBondContact N-O 2.9Å
75P97.3Very high98.1Very high47 Ų4748.5 Ų48.531%0.30526%0.256SS..THydrogen-bonded Turntrans-64.7-18.3-17524.6-34.3000114.4R80P75-R80 VanDerWaalsContact CA-CZ 3.46Å; P75-R80 PolarHBondContact O-NH1 3.48Å
76T96.4Very high98.1Very high128 Ų12848 Ų4879%0.78525%0.254SS*.THydrogen-bonded Turntrans-96.6-6.7177.156.60000113.5G74G74-T76 PolarHBondContact O-N 3.32Å
77D97.6Very high98.1Very high45 Ų4547.4 Ų47.424%0.24125%0.251CS..  trans-82.7142.9-174.9-60.8-25.9000110G74 E79 R80 K129G74-D77 PolarHBondContact N-OD2 3.19Å; G74-D77 WeakPolarHBondContact O-CB 3.42Å; G74-D77 PolarHBondContact O-N 3.03Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-R80 WeakPolarHBondContact O-CD 3.31Å; D77-R80 WeakPolarHBondContact O-CG 3.27Å; D77-K129 IonicContact OD1-NZ 3.87Å; D77-K129 IonicContact OD2-NZ 3.85Å
78E95.8Very high98.1Very high167 Ų16745 Ų4578%0.7824%0.235SC*.SBendtrans-69.1-33.6174.5-66.8-173.2168.800111.8K70K70-E78 PolarHBondContact NZ-O 3.32Å
79E97.8Very high98.2Very high90 Ų9043.7 Ų43.742%0.42124%0.236SC..SBendtrans-93.194.3175-171.966.4-16700109K71 D77K71-E79 HydrophobicContact CB-CG 4.09Å; K71-E79 PolarHBondContact N-OE1 2.83Å; D77-E79 VanDerWaalsContact C-N 3.3Å
80R98.5Very high98.2Very high2 Ų238.6 Ų38.61%0.00820%0.201CC..SBendtrans-154.5160.8177.961.9-178.4-73.1-145.5-11.1110.1K70 K71 G74 P75 D77 D84 D102 F104K70-R80 WeakPolarHBondContact CB-O 3.14Å; K70-R80 WeakPolarHBondContact CD-O 3.41Å; K71-R80 CarbonylContact O-C 3.58Å; K71-R80 VanDerWaalsContact O-C 3.3Å; K71-R80 WeakPolarHBondContact O-CA 3.28Å; G74-R80 WeakPolarHBondContact O-CD 3.3Å; P75-R80 VanDerWaalsContact CA-CZ 3.46Å; P75-R80 PolarHBondContact O-NH1 3.48Å; D77-R80 WeakPolarHBondContact O-CD 3.31Å; D77-R80 WeakPolarHBondContact O-CG 3.27Å; R80-D84 HydrophobicContact CB-CB 4.47Å; R80-D84 VanDerWaalsContact CZ-O 3.23Å; R80-D84 PolarHBondContact NE-O 3.02Å; R80-D84 PolarHBondContact NH2-O 3.37Å; R80-D102 IonicContact CZ-OD2 3.78Å; R80-D102 VanDerWaalsContact CZ-OD2 3.29Å; R80-D102 IonicContact NH1-OD2 3.21Å; R80-D102 PolarHBondContact NH1-OD2 3.22Å; R80-D102 IonicContact NH2-OD2 3.54Å; R80-D102 PolarHBondContact NH2-OD2 3.42Å; R80-F104 HydrophobicContact CG-CD1 4.4Å; R80-F104 HydrophobicContact CG-CE1 4.22Å
81H98.8Very high98.2Very high12 Ų1237 Ų376%0.05620%0.203CC..  trans-71.3157162.2-45.3136.3000110.4H64 N66 K70 K71 H72 G83 D84 K137H64-H81 HydrophobicContact CB-CB 4.31Å; H64-H81 WeakPolarHBondContact CB-ND1 3.28Å; H64-H81 AromaticContact CG-ND1 3.84Å; H64-H81 AromaticContact ND1-ND1 3.54Å; N66-H81 HydrophobicContact CB-CB 4Å; N66-H81 PolarHBondContact ND2-CD2 3.16Å; N66-H81 PolarHBondContact ND2-NE2 3.21Å; K70-H81 PolarHBondContact O-CD2 2.82Å; K70-H81 VanDerWaalsContact O-CD2 3.22Å; K70-H81 PolarHBondContact O-NE2 2.85Å; K70-H81 VanDerWaalsContact O-NE2 3.14Å; K71-H81 PolarHBondContact O-N 2.78Å; H72-H81 VanDerWaalsContact CA-CE1 3.48Å; H72-H81 WeakPolarHBondContact CA-CE1 3.37Å; H72-H81 PolarHBondContact N-CE1 3.32Å; H72-H81 PolarHBondContact N-NE2 2.73Å; H72-H81 AromaticContact ND1-ND1 3.74Å; H81-G83 PolarHBondContact O-N 2.67Å; H81-D84 WeakPolarHBondContact CA-OD2 3.49Å; H81-D84 VanDerWaalsContact CB-CG 3.5Å; H81-D84 WeakPolarHBondContact CB-OD1 3.28Å; H81-D84 VanDerWaalsContact CB-OD2 3.28Å; H81-D84 WeakPolarHBondContact CB-OD2 3.23Å; H81-D84 IonicContact CG-OD1 2.73Å; H81-D84 IonicContact CG-OD2 2.85Å; H81-D84 VanDerWaalsContact CG-OD2 3.28Å; H81-D84 PolarHBondContact N-OD2 3Å; H81-D84 IonicContact ND1-OD1 3.28Å; H81-D84 PolarHBondContact ND1-OD1 2.89Å; H81-D84 IonicContact ND1-OD2 3.58Å; H81-D84 PolarHBondContact ND1-OD2 3.14Å; H81-D84 PolarHBondContact O-N 2.77Å; H81-K137 PolarHBondContact CE1-O 2.73Å
82V98.6Very high98.1Very high0 Ų036.1 Ų36.10%022%0.218CC..THydrogen-bonded Turntrans-62-33.6174.2174.10000110.8Y65 P67 F68 I105 N111Y65-V82 HydrophobicContact CD1-CB 3.84Å; Y65-V82 HydrophobicContact CD1-CG1 3.64Å; Y65-V82 HydrophobicContact CE1-CB 3.93Å; Y65-V82 HydrophobicContact CE1-CG1 3.5Å; Y65-V82 VanDerWaalsContact CE1-CG1 3.5Å; Y65-V82 PolarHBondContact O-N 2.79Å; Y65-V82 VanDerWaalsContact O-N 3.13Å; P67-V82 HydrophobicContact CG-CB 4.27Å; P67-V82 HydrophobicContact CG-CG2 3.61Å; F68-V82 HydrophobicContact CD2-CG2 3.67Å; F68-V82 HydrophobicContact CE2-CG2 3.5Å; V82-I105 HydrophobicContact CG1-CG2 4.21Å; V82-I105 WeakPolarHBondContact O-CG2 3.05Å; V82-N111 HydrophobicContact CG1-CB 4.34Å
83G98.6Very high98.1Very high0 Ų040.6 Ų40.60%024%0.242CC..THydrogen-bonded Turntrans-80.3-4.6-17900000116.7H47 V48 Y65 H81 L85H47-G83 CarbonylContact C-O 3.58Å; H47-G83 VanDerWaalsContact CA-O 3.28Å; H47-G83 WeakPolarHBondContact CA-O 3.49Å; V48-G83 PolarHBondContact N-O 3.1Å; Y65-G83 PolarHBondContact O-N 2.61Å; H81-G83 PolarHBondContact O-N 2.67Å; G83-L85 PolarHBondContact O-N 3.13Å; G83-L85 VanDerWaalsContact O-N 3.14Å
84D98.8Very high98.1Very high0 Ų044 Ų440%026%0.259CS..EExtended strand (participates in β ladder)trans-82.289.5-169.8-64.5-15.4000112.1H64 H72 G73 R80 H81 G86H64-D84 IonicContact CE1-OD1 3.18Å; H64-D84 IonicContact CG-OD1 3.29Å; H64-D84 IonicContact ND1-OD1 3.18Å; H64-D84 PolarHBondContact ND1-OD1 2.86Å; H72-D84 WeakPolarHBondContact CA-OD2 3.36Å; H72-D84 IonicContact CE1-OD1 3.02Å; H72-D84 IonicContact CE1-OD2 3.55Å; H72-D84 IonicContact CG-OD2 2.98Å; H72-D84 IonicContact ND1-OD1 3.98Å; H72-D84 PolarHBondContact ND1-OD1 3.04Å; H72-D84 VanDerWaalsContact ND1-OD1 3.15Å; H72-D84 IonicContact ND1-OD2 3.98Å; H72-D84 PolarHBondContact ND1-OD2 2.86Å; G73-D84 PolarHBondContact N-OD2 3.31Å; G73-D84 WeakPolarHBondContact O-CB 3.27Å; R80-D84 HydrophobicContact CB-CB 4.47Å; R80-D84 VanDerWaalsContact CZ-O 3.23Å; R80-D84 PolarHBondContact NE-O 3.02Å; R80-D84 PolarHBondContact NH2-O 3.37Å; H81-D84 WeakPolarHBondContact CA-OD2 3.49Å; H81-D84 VanDerWaalsContact CB-CG 3.5Å; H81-D84 WeakPolarHBondContact CB-OD1 3.28Å; H81-D84 VanDerWaalsContact CB-OD2 3.28Å; H81-D84 WeakPolarHBondContact CB-OD2 3.23Å; H81-D84 IonicContact CG-OD1 2.73Å; H81-D84 IonicContact CG-OD2 2.85Å; H81-D84 VanDerWaalsContact CG-OD2 3.28Å; H81-D84 PolarHBondContact N-OD2 3Å; H81-D84 IonicContact ND1-OD1 3.28Å; H81-D84 PolarHBondContact ND1-OD1 2.89Å; H81-D84 IonicContact ND1-OD2 3.58Å; H81-D84 PolarHBondContact ND1-OD2 3.14Å; H81-D84 PolarHBondContact O-N 2.77Å; D84-G86 VanDerWaalsContact C-N 3.3Å; D84-G86 PolarHBondContact O-N 3.29Å
85L98.8Very high98.1Very high4 Ų446.7 Ų46.72%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-87.63.4-178.8-56174.6000113.6F46 V48 G83 D102 I105 M118F46-L85 HydrophobicContact CD1-CB 4.15Å; F46-L85 HydrophobicContact CD1-CD1 4.1Å; F46-L85 HydrophobicContact CE1-CD1 4.09Å; F46-L85 WeakPolarHBondContact O-CA 3.34Å; F46-L85 VanDerWaalsContact O-CB 3.31Å; F46-L85 WeakPolarHBondContact O-CB 3.33Å; F46-L85 PolarHBondContact O-N 2.86Å; V48-L85 HydrophobicContact CG2-CD1 4.44Å; G83-L85 PolarHBondContact O-N 3.13Å; G83-L85 VanDerWaalsContact O-N 3.14Å; L85-D102 HydrophobicContact CD2-CB 3.86Å; L85-I105 HydrophobicContact CD2-CD1 4.24Å; L85-I105 HydrophobicContact CD2-CG2 4.16Å; L85-M118 HydrophobicContact CD1-CE 3.65Å; L85-M118 HydrophobicContact CD1-SD 4.35Å
86G98.7Very high98.1Very high1 Ų144.5 Ų44.51%0.0126%0.259CS..EExtended strand (participates in β ladder)trans78-130-179.700000112G45 F46 D84G45-G86 CarbonylContact C-O 3.3Å; G45-G86 WeakPolarHBondContact CA-O 3.26Å; F46-G86 PolarHBondContact N-O 2.89Å; D84-G86 VanDerWaalsContact C-N 3.3Å; D84-G86 PolarHBondContact O-N 3.29Å
87N98.8Very high98.2Very high31 Ų3145.4 Ų45.417%0.16625%0.252CS..EExtended strand (participates in β ladder)trans-115.6151.9-175.2-68.2-64.4000112.6E43 H44 G45 A124 D125E43-N87 HydrophobicContact CB-CB 4.05Å; E43-N87 HydrophobicContact CG-CB 4.33Å; H44-N87 VanDerWaalsContact C-OD1 3.25Å; H44-N87 VanDerWaalsContact O-CA 3.31Å; H44-N87 WeakPolarHBondContact O-CA 3.45Å; H44-N87 PolarHBondContact O-OD1 2.94Å; G45-N87 WeakPolarHBondContact CA-OD1 3.29Å; G45-N87 PolarHBondContact N-OD1 3.3Å; N87-A124 WeakPolarHBondContact OD1-CA 3.35Å; N87-D125 PolarHBondContact ND2-O 3.03Å; N87-D125 WeakPolarHBondContact OD1-CB 3.32Å; N87-D125 PolarHBondContact OD1-N 3.43Å
88V98.8Very high98.3Very high6 Ų643.7 Ų43.74%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-111.9151.1157.4-610000108.9E43 H44 F46 A96 I98 I100 I120E43-V88 WeakPolarHBondContact CA-O 3.28Å; H44-V88 HydrophobicContact CB-CG2 4.37Å; H44-V88 PolarHBondContact N-O 3.28Å; H44-V88 PolarHBondContact O-N 2.78Å; F46-V88 HydrophobicContact CB-CG1 4.12Å; F46-V88 HydrophobicContact CB-CG2 4.5Å; F46-V88 HydrophobicContact CD1-CG1 3.87Å; F46-V88 HydrophobicContact CE1-CG1 4.42Å; F46-V88 HydrophobicContact CG-CG1 3.95Å; V88-A96 HydrophobicContact CB-CB 4.21Å; V88-A96 HydrophobicContact CG2-CB 3.99Å; V88-I98 HydrophobicContact CG1-CG1 4.07Å; V88-I100 HydrophobicContact CG1-CD1 4.17Å; V88-I120 HydrophobicContact CG2-CD1 3.36Å
89T98.8Very high98.4Very high83 Ų8341.7 Ų41.751%0.50924%0.237SC..EExtended strand (participates in β ladder)trans-113.6121.3-174.4-48.80000110.8G42 A96G42-T89 CarbonylContact O-C 3.56Å; G42-T89 WeakPolarHBondContact O-CA 3.39Å; T89-A96 VanDerWaalsContact O-CA 3.32Å; T89-A96 WeakPolarHBondContact O-CA 3.37Å; T89-A96 WeakPolarHBondContact O-CB 3.28Å
90A98.6Very high98.5Very high5 Ų538.9 Ų38.94%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-89133.9172.200000111.2L39 T40 P41 G42 I95 A96L39-A90 HydrophobicContact CB-CB 3.65Å; L39-A90 HydrophobicContact CD1-CB 4.09Å; T40-A90 WeakPolarHBondContact O-CB 3.43Å; P41-A90 WeakPolarHBondContact CA-O 3.1Å; G42-A90 PolarHBondContact N-O 3.04Å; G42-A90 PolarHBondContact O-N 2.98Å; A90-I95 WeakPolarHBondContact CA-O 3.26Å; A90-A96 HydrophobicContact CB-CB 4.15Å
91G97.3Very high98.5Very high32 Ų3246.4 Ų46.433%0.3326%0.258SS..  trans-79.7-173174.800000113.4D93 N94 I95G91-D93 PolarHBondContact O-N 3.2Å; G91-N94 PolarHBondContact O-N 3.21Å; G91-I95 PolarHBondContact N-O 2.98Å; G91-I95 VanDerWaalsContact N-O 3.07Å
92A97.8Very high98.4Very high98 Ų9846.1 Ų46.181%0.8126%0.256SS*.THydrogen-bonded Turntrans-68.3-13.2175.100000113.6
93D97.8Very high98.3Very high99 Ų9949.8 Ų49.853%0.52928%0.282SS..THydrogen-bonded Turntrans-83.63.9171.560.2-8000112.9G91 I95G91-D93 PolarHBondContact O-N 3.2Å; D93-I95 PolarHBondContact O-N 2.88Å; D93-I95 PolarHBondContact OD1-N 3.07Å
94N98.2Very high98.2Very high72 Ų7253 Ų5339%0.38530%0.296SS..SBendtrans6225.5-178.9-61.1-24.8000113.4G37 G38 L39 P41 G91G37-N94 CarbonylContact C-O 3.57Å; G37-N94 WeakPolarHBondContact CA-O 3.46Å; G38-N94 PolarHBondContact N-O 3.03Å; L39-N94 PolarHBondContact N-O 3.28Å; L39-N94 VanDerWaalsContact O-CA 3.31Å; L39-N94 WeakPolarHBondContact O-CA 3.49Å; L39-N94 WeakPolarHBondContact O-CB 3.49Å; L39-N94 PolarHBondContact O-OD1 3.31Å; P41-N94 WeakPolarHBondContact CD-OD1 3.31Å; G91-N94 PolarHBondContact O-N 3.21Å
95I98.4Very high98.2Very high59 Ų5953 Ų5330%0.30330%0.296SS..EExtended strand (participates in β ladder)trans-118.6129.1179.3-62169.4000109.7E35 I36 A90 G91 D93E35-I95 HydrophobicContact CB-CG2 4.36Å; I36-I95 CarbonylContact O-C 3.05Å; I36-I95 WeakPolarHBondContact O-CA 3.49Å; A90-I95 WeakPolarHBondContact CA-O 3.26Å; G91-I95 PolarHBondContact N-O 2.98Å; G91-I95 VanDerWaalsContact N-O 3.07Å; D93-I95 PolarHBondContact O-N 2.88Å; D93-I95 PolarHBondContact OD1-N 3.07Å
96A98.6Very high98.1Very high0 Ų054.3 Ų54.30%030%0.302CS..EExtended strand (participates in β ladder)trans-100.5123.3167.600000110.3E35 I36 L39 V88 T89 A90E35-A96 WeakPolarHBondContact CA-O 3.43Å; I36-A96 PolarHBondContact N-O 3.09Å; I36-A96 PolarHBondContact O-N 3.36Å; L39-A96 HydrophobicContact CD1-CB 3.61Å; V88-A96 HydrophobicContact CB-CB 4.21Å; V88-A96 HydrophobicContact CG2-CB 3.99Å; T89-A96 VanDerWaalsContact O-CA 3.32Å; T89-A96 WeakPolarHBondContact O-CA 3.37Å; T89-A96 WeakPolarHBondContact O-CB 3.28Å; A90-A96 HydrophobicContact CB-CB 4.15Å
97K98.6Very high98.1Very high148 Ų14854.9 Ų54.964%0.64330%0.304SS*.EExtended strand (participates in β ladder)trans-91.1131.4171.2-64.1-172.6177.1-177.90109.6E35E35-K97 HydrophobicContact CG-CG 4.19Å; E35-K97 VanDerWaalsContact OE1-CE 3.27Å; E35-K97 WeakPolarHBondContact OE1-CE 3.09Å
98I98.6Very high98Very high8 Ų855.2 Ų55.24%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-102.8125-178.1-50.7171.8000108.5V19 V32 T33 G34 I36 F46 V88 I100V19-I98 HydrophobicContact CG1-CD1 4.2Å; V19-I98 HydrophobicContact CG2-CD1 3.75Å; V32-I98 HydrophobicContact CB-CG2 4.5Å; V32-I98 HydrophobicContact CG1-CG2 4.07Å; T33-I98 VanDerWaalsContact CA-O 3.28Å; T33-I98 WeakPolarHBondContact CA-O 3.39Å; G34-I98 PolarHBondContact N-O 3.44Å; G34-I98 PolarHBondContact O-N 3.39Å; I36-I98 HydrophobicContact CD1-CD1 3.89Å; I36-I98 HydrophobicContact CG1-CD1 3.91Å; F46-I98 HydrophobicContact CE1-CD1 4.35Å; F46-I98 HydrophobicContact CE1-CG2 4.49Å; F46-I98 HydrophobicContact CZ-CD1 3.93Å; V88-I98 HydrophobicContact CG1-CG1 4.07Å; I98-I100 HydrophobicContact CG2-CD1 4.03Å; I98-I100 HydrophobicContact CG2-CG1 4.16Å
99D98.4Very high97.8Very high126 Ų12657 Ų5767%0.67433%0.328SS*.EExtended strand (participates in β ladder)trans-146.488.8165.1-168.911.7000108.2V32V32-D99 WeakPolarHBondContact O-CA 3.45Å
100I98.6Very high97.6Very high30 Ų3058.4 Ų58.415%0.15434%0.339CS..EExtended strand (participates in β ladder)trans-119145.7-176.2-64.1169.3000108.7V32 F46 V88 I98 D102V32-I100 HydrophobicContact CB-CB 4.16Å; V32-I100 PolarHBondContact N-O 2.67Å; V32-I100 PolarHBondContact O-N 2.84Å; F46-I100 HydrophobicContact CD1-CD1 4.09Å; F46-I100 HydrophobicContact CE1-CD1 4.39Å; V88-I100 HydrophobicContact CG1-CD1 4.17Å; I98-I100 HydrophobicContact CG2-CD1 4.03Å; I98-I100 HydrophobicContact CG2-CG1 4.16Å; I100-D102 HydrophobicContact CG2-CB 4.47Å
101K98.4Very high97.4Very high161 Ų16159.6 Ų59.670%0.735%0.345SS*.EExtended strand (participates in β ladder)trans-127.2117.5170.4-173.1174.2-179.9177.20108.6P29 V30P29-K101 HydrophobicContact CB-CG 3.91Å; P29-K101 HydrophobicContact CG-CD 4.2Å; P29-K101 HydrophobicContact CG-CG 4.02Å; V30-K101 WeakPolarHBondContact O-CA 3.45Å
102D98.4Very high97.4Very high5 Ų559.1 Ų59.13%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-126.6137.2-174.8-174.4-85.4000111.6P29 V30 R80 L85 I100 F104 I105P29-D102 CarbonylContact C-O 3.52Å; P29-D102 VanDerWaalsContact CA-O 3.31Å; P29-D102 WeakPolarHBondContact CA-O 3.28Å; P29-D102 VanDerWaalsContact CB-O 3.3Å; P29-D102 WeakPolarHBondContact CB-O 3.38Å; V30-D102 PolarHBondContact N-O 2.85Å; V30-D102 PolarHBondContact O-N 3.04Å; R80-D102 IonicContact CZ-OD2 3.78Å; R80-D102 VanDerWaalsContact CZ-OD2 3.29Å; R80-D102 IonicContact NH1-OD2 3.21Å; R80-D102 PolarHBondContact NH1-OD2 3.22Å; R80-D102 IonicContact NH2-OD2 3.54Å; R80-D102 PolarHBondContact NH2-OD2 3.42Å; L85-D102 HydrophobicContact CD2-CB 3.86Å; I100-D102 HydrophobicContact CG2-CB 4.47Å; D102-F104 WeakPolarHBondContact OD1-CA 3.49Å; D102-F104 WeakPolarHBondContact OD1-CB 3.44Å; D102-F104 PolarHBondContact OD1-N 3.33Å; D102-I105 HydrophobicContact CB-CD1 4.33Å; D102-I105 HydrophobicContact CB-CG1 3.94Å; D102-I105 WeakPolarHBondContact OD1-CG1 3.46Å; D102-I105 PolarHBondContact OD1-N 2.83Å
103S96.3Very high97.5Very high77 Ų7754.4 Ų54.454%0.53830%0.298SS..SBendtrans-98.5-10.5-176.7-62.90000113.8K106S103-K106 VanDerWaalsContact O-CE 3.28Å; S103-K106 WeakPolarHBondContact O-CE 3.34Å
104F95.7Very high97.5Very high68 Ų6852 Ų5230%0.29828%0.284SS..SBendtrans-92-47.2-175.2-85.1-113.4000111.8R80 D102 N111R80-F104 HydrophobicContact CG-CD1 4.4Å; R80-F104 HydrophobicContact CG-CE1 4.22Å; D102-F104 WeakPolarHBondContact OD1-CA 3.49Å; D102-F104 WeakPolarHBondContact OD1-CB 3.44Å; D102-F104 PolarHBondContact OD1-N 3.33Å; F104-N111 PolarHBondContact O-ND2 3.1Å
105I98.2Very high97.5Very high0 Ų050.4 Ų50.40%029%0.285CS..  trans-65.6146.7171.864165.5000109.8F21 V30 V32 V82 L85 D102 I113F21-I105 HydrophobicContact CD1-CD1 4.38Å; V30-I105 HydrophobicContact CB-CD1 3.81Å; V30-I105 HydrophobicContact CB-CG1 3.84Å; V30-I105 HydrophobicContact CG1-CD1 3.81Å; V30-I105 HydrophobicContact CG1-CG1 4.37Å; V30-I105 HydrophobicContact CG2-CD1 4.3Å; V30-I105 HydrophobicContact CG2-CG1 3.96Å; V30-I105 VanDerWaalsContact CG2-O 3.27Å; V30-I105 WeakPolarHBondContact CG2-O 3.33Å; V32-I105 HydrophobicContact CG2-CD1 3.91Å; V82-I105 HydrophobicContact CG1-CG2 4.21Å; V82-I105 WeakPolarHBondContact O-CG2 3.05Å; L85-I105 HydrophobicContact CD2-CD1 4.24Å; L85-I105 HydrophobicContact CD2-CG2 4.16Å; D102-I105 HydrophobicContact CB-CD1 4.33Å; D102-I105 HydrophobicContact CB-CG1 3.94Å; D102-I105 WeakPolarHBondContact OD1-CG1 3.46Å; D102-I105 PolarHBondContact OD1-N 2.83Å; I105-I113 HydrophobicContact CB-CD1 4.2Å; I105-I113 HydrophobicContact CB-CG2 3.86Å; I105-I113 HydrophobicContact CD1-CD1 3.74Å; I105-I113 HydrophobicContact CG1-CD1 4.47Å; I105-I113 HydrophobicContact CG2-CG2 3.82Å
106K98.3Very high97.6Very high32 Ų3250.5 Ų50.514%0.13928%0.282CS..BIsolated β-bridgetrans-135.6156.3176.3-60.8-67.7169.4174.90109.4E26 A28 S103 S108 N111 S112 I113E26-K106 PolarHBondContact O-NZ 3.2Å; A28-K106 PolarHBondContact O-NZ 2.88Å; S103-K106 VanDerWaalsContact O-CE 3.28Å; S103-K106 WeakPolarHBondContact O-CE 3.34Å; K106-S108 VanDerWaalsContact CB-O 3.26Å; K106-S108 WeakPolarHBondContact CB-O 3.43Å; K106-N111 HydrophobicContact CB-CB 4.25Å; K106-N111 HydrophobicContact CG-CB 4.01Å; K106-N111 PolarHBondContact N-O 2.78Å; K106-S112 CarbonylContact O-C 3.49Å; K106-S112 VanDerWaalsContact O-CA 3.26Å; K106-S112 WeakPolarHBondContact O-CA 3.31Å; K106-I113 WeakPolarHBondContact O-CG1 3.4Å; K106-I113 PolarHBondContact O-N 3.02Å
107L98.4Very high97.6Very high12 Ų1250.5 Ų50.56%0.06328%0.282CS..SBendtrans-95.1-0.4172.3-57.3-173.6000112.4L3 A5 F21 Q23 V30 S112 I113 I114L3-L107 HydrophobicContact CB-CB 3.93Å; L3-L107 HydrophobicContact CB-CD1 4Å; L3-L107 HydrophobicContact CD1-CB 4.02Å; L3-L107 WeakPolarHBondContact O-CD1 3.48Å; A5-L107 HydrophobicContact CB-CD1 4.45Å; A5-L107 HydrophobicContact CB-CD2 4.13Å; F21-L107 HydrophobicContact CB-CD1 4.07Å; F21-L107 HydrophobicContact CB-CD2 3.88Å; F21-L107 HydrophobicContact CG-CD2 4.47Å; Q23-L107 HydrophobicContact CB-CB 4.42Å; Q23-L107 HydrophobicContact CB-CD1 3.82Å; Q23-L107 HydrophobicContact CB-CG 4.02Å; V30-L107 HydrophobicContact CG1-CD2 4.35Å; V30-L107 HydrophobicContact CG1-CG 4.38Å; V30-L107 HydrophobicContact CG2-CG 4.21Å; L107-S112 PolarHBondContact O-OG 3.32Å; L107-I113 HydrophobicContact CD2-CD1 4.07Å; L107-I113 HydrophobicContact CD2-CG1 3.88Å; L107-I114 HydrophobicContact CD2-CD1 4.17Å; L107-I114 WeakPolarHBondContact O-CG1 3.22Å
108S96.6Very high97.6Very high38 Ų3843.5 Ų43.527%0.26625%0.251SS..SBendtrans-148.3170.8175.961.40000111.1K106K106-S108 VanDerWaalsContact CB-O 3.26Å; K106-S108 WeakPolarHBondContact CB-O 3.43Å
109G95.1Very high97.6Very high43 Ų4343.1 Ų43.144%0.44325%0.249SC..SBendtrans73.8-16617600000114N111 S112G109-N111 VanDerWaalsContact C-N 3.28Å; G109-N111 PolarHBondContact O-N 3.43Å; G109-S112 VanDerWaalsContact O-CB 3.24Å; G109-S112 WeakPolarHBondContact O-CB 3.32Å; G109-S112 PolarHBondContact O-N 3.22Å; G109-S112 VanDerWaalsContact O-N 3.11Å
110P92.7Very high97.6Very high114 Ų11437.1 Ų37.174%0.7422%0.217SC*.THydrogen-bonded Turntrans-66.9-26.5-170.825.5-34.4000113.9Y65 S112Y65-P110 PolarHBondContact OH-O 3.45Å; P110-S112 VanDerWaalsContact C-N 3.3Å
111N95.2Very high97.6Very high29 Ų2936 Ų3616%0.15521%0.211CC..THydrogen-bonded Turntrans-93.115.8177.4-696.3000112.8Y65 F68 V82 F104 K106 G109 I113Y65-N111 WeakPolarHBondContact OH-CA 3.3Å; F68-N111 VanDerWaalsContact CZ-OD1 3.23Å; F68-N111 WeakPolarHBondContact CZ-OD1 3.36Å; V82-N111 HydrophobicContact CG1-CB 4.34Å; F104-N111 PolarHBondContact O-ND2 3.1Å; K106-N111 HydrophobicContact CB-CB 4.25Å; K106-N111 HydrophobicContact CG-CB 4.01Å; K106-N111 PolarHBondContact N-O 2.78Å; G109-N111 VanDerWaalsContact C-N 3.28Å; G109-N111 PolarHBondContact O-N 3.43Å; N111-I113 PolarHBondContact O-N 2.98Å
112S98.1Very high97.6Very high22 Ų2233.1 Ų33.115%0.15420%0.2CC..BIsolated β-bridgetrans-61.6132.6-176.4-172.10000111.8K106 L107 G109 P110 I114 R116K106-S112 CarbonylContact O-C 3.49Å; K106-S112 VanDerWaalsContact O-CA 3.26Å; K106-S112 WeakPolarHBondContact O-CA 3.31Å; L107-S112 PolarHBondContact O-OG 3.32Å; G109-S112 VanDerWaalsContact O-CB 3.24Å; G109-S112 WeakPolarHBondContact O-CB 3.32Å; G109-S112 PolarHBondContact O-N 3.22Å; G109-S112 VanDerWaalsContact O-N 3.11Å; P110-S112 VanDerWaalsContact C-N 3.3Å; S112-I114 PolarHBondContact OG-N 3.15Å; S112-R116 PolarHBondContact O-NE 3.49Å
113I98.8Very high97.6Very high0 Ų038.3 Ų38.30%022%0.222CC..  trans-94.2-2.317364.1169.6000112.9F21 V48 Y65 I105 K106 L107 N111 G115 R116 I150F21-I113 HydrophobicContact CD1-CD1 3.73Å; F21-I113 HydrophobicContact CE1-CD1 3.78Å; F21-I113 HydrophobicContact CG-CD1 4.48Å; V48-I113 HydrophobicContact CB-CG2 4.4Å; V48-I113 HydrophobicContact CG1-CB 4.04Å; V48-I113 HydrophobicContact CG1-CG2 3.92Å; V48-I113 HydrophobicContact CG2-CB 4.45Å; V48-I113 HydrophobicContact CG2-CD1 4.32Å; V48-I113 HydrophobicContact CG2-CG2 4.18Å; Y65-I113 HydrophobicContact CD1-CG2 4.21Å; Y65-I113 HydrophobicContact CE1-CG2 4.37Å; I105-I113 HydrophobicContact CB-CD1 4.2Å; I105-I113 HydrophobicContact CB-CG2 3.86Å; I105-I113 HydrophobicContact CD1-CD1 3.74Å; I105-I113 HydrophobicContact CG1-CD1 4.47Å; I105-I113 HydrophobicContact CG2-CG2 3.82Å; K106-I113 WeakPolarHBondContact O-CG1 3.4Å; K106-I113 PolarHBondContact O-N 3.02Å; L107-I113 HydrophobicContact CD2-CD1 4.07Å; L107-I113 HydrophobicContact CD2-CG1 3.88Å; N111-I113 PolarHBondContact O-N 2.98Å; I113-G115 PolarHBondContact O-N 3.33Å; I113-R116 VanDerWaalsContact O-CB 3.27Å; I113-R116 WeakPolarHBondContact O-CB 3.37Å; I113-R116 PolarHBondContact O-N 3.44Å; I113-R116 VanDerWaalsContact O-N 3.09Å; I113-I150 HydrophobicContact CB-CD1 4.16Å; I113-I150 HydrophobicContact CD1-CD1 4.12Å; I113-I150 HydrophobicContact CG1-CD1 4.33Å
114I98.7Very high97.7Very high48 Ų4836.6 Ų36.625%0.24621%0.213CC..THydrogen-bonded Turntrans-62.3132.5175.4-59.4-60.5000109.8A5 L107 S112 R116 I150 I152A5-I114 HydrophobicContact CB-CD1 3.49Å; A5-I114 VanDerWaalsContact CB-CD1 3.49Å; L107-I114 HydrophobicContact CD2-CD1 4.17Å; L107-I114 WeakPolarHBondContact O-CG1 3.22Å; S112-I114 PolarHBondContact OG-N 3.15Å; I114-R116 PolarHBondContact O-N 3.18Å; I114-I150 HydrophobicContact CD1-CG2 4.28Å; I114-I152 HydrophobicContact CD1-CG1 4.35Å; I114-I152 HydrophobicContact CG2-CD1 4.25Å; I114-I152 HydrophobicContact CG2-CG1 3.82Å
115G98.7Very high97.9Very high39 Ų3933.6 Ų33.640%0.40220%0.2SC..THydrogen-bonded Turntrans75.18.8-176.900000114.1G52 I113 I150G52-G115 WeakPolarHBondContact CA-O 3.43Å; G52-G115 PolarHBondContact N-O 2.79Å; I113-G115 PolarHBondContact O-N 3.33Å; G115-I150 PolarHBondContact N-O 3.46Å
116R98.9Very high97.9Very high61 Ų6135.5 Ų35.523%0.2321%0.21CC..SBendtrans-98.1175.4169.5-59.2-167.8-168.1-78.8-2.4110.5V48 H49 A50 Y65 S112 I113 I114 V149 I150V48-R116 HydrophobicContact CG1-CB 3.7Å; H49-R116 WeakPolarHBondContact O-CB 3.44Å; A50-R116 PolarHBondContact O-NH1 3.41Å; Y65-R116 VanDerWaalsContact CD2-CZ 3.43Å; Y65-R116 VanDerWaalsContact CZ-CZ 3.47Å; Y65-R116 VanDerWaalsContact CZ-NH2 3.31Å; Y65-R116 PolarHBondContact OH-NH2 3.07Å; S112-R116 PolarHBondContact O-NE 3.49Å; I113-R116 VanDerWaalsContact O-CB 3.27Å; I113-R116 WeakPolarHBondContact O-CB 3.37Å; I113-R116 PolarHBondContact O-N 3.44Å; I113-R116 VanDerWaalsContact O-N 3.09Å; I114-R116 PolarHBondContact O-N 3.18Å; R116-V149 CarbonylContact O-C 3.55Å; R116-V149 WeakPolarHBondContact O-CA 3.35Å; R116-I150 PolarHBondContact O-N 3.15Å
117T98.9Very high97.9Very high0 Ų036.1 Ų36.10%022%0.215CC..EExtended strand (participates in β ladder)trans-107.8127.9-176.3-62.70000111.1V48 H49 F51 G52 N54 A61 V119 C147 G148V48-T117 CarbonylContact C-O 3.56Å; V48-T117 WeakPolarHBondContact CA-O 3.4Å; H49-T117 PolarHBondContact N-O 3.45Å; H49-T117 PolarHBondContact O-N 2.84Å; F51-T117 WeakPolarHBondContact O-CB 3.27Å; F51-T117 PolarHBondContact O-OG1 3.18Å; G52-T117 WeakPolarHBondContact CA-OG1 3.49Å; N54-T117 PolarHBondContact OD1-OG1 2.97Å; A61-T117 HydrophobicContact CB-CG2 3.76Å; T117-V119 HydrophobicContact CG2-CG2 3.87Å; T117-C147 HydrophobicContact CG2-CB 3.65Å; T117-G148 CarbonylContact C-O 3.55Å; T117-G148 VanDerWaalsContact CA-O 3.31Å; T117-G148 WeakPolarHBondContact CA-O 3.44Å
118M98.9Very high97.9Very high0 Ų036.4 Ų36.40%022%0.221CC..EExtended strand (participates in β ladder)trans-83.2138164.9-174.759.274.500109.2C7 L9 F21 F46 V48 L85 C147 G148 I150C7-M118 HydrophobicContact CB-CB 4.37Å; L9-M118 HydrophobicContact CD2-CB 4.04Å; L9-M118 HydrophobicContact CD2-CG 4.06Å; L9-M118 WeakPolarHBondContact CD2-O 3.41Å; F21-M118 HydrophobicContact CE1-CE 3.51Å; F21-M118 HydrophobicContact CZ-CE 3.43Å; F21-M118 VanDerWaalsContact CZ-CE 3.43Å; F46-M118 HydrophobicContact CD1-SD 4.25Å; F46-M118 HydrophobicContact CD2-CG 4.36Å; F46-M118 HydrophobicContact CD2-SD 4.01Å; F46-M118 HydrophobicContact CE1-CE 4.06Å; F46-M118 HydrophobicContact CE1-SD 3.82Å; F46-M118 HydrophobicContact CE2-CG 3.49Å; F46-M118 VanDerWaalsContact CE2-CG 3.49Å; F46-M118 HydrophobicContact CE2-SD 3.56Å; F46-M118 VanDerWaalsContact CE2-SD 3.56Å; F46-M118 HydrophobicContact CG-SD 4.34Å; F46-M118 HydrophobicContact CZ-CE 3.96Å; F46-M118 HydrophobicContact CZ-CG 3.59Å; F46-M118 HydrophobicContact CZ-SD 3.46Å; F46-M118 WeakPolarHBondContact CZ-SD 3.31Å; V48-M118 HydrophobicContact CG2-CE 3.49Å; V48-M118 VanDerWaalsContact CG2-CE 3.49Å; V48-M118 HydrophobicContact CG2-SD 4.16Å; L85-M118 HydrophobicContact CD1-CE 3.65Å; L85-M118 HydrophobicContact CD1-SD 4.35Å; M118-C147 CarbonylContact O-C 3.57Å; M118-C147 WeakPolarHBondContact O-CA 3.42Å; M118-C147 WeakPolarHBondContact O-CB 3.47Å; M118-G148 PolarHBondContact N-O 3.06Å; M118-G148 PolarHBondContact O-N 3.18Å; M118-G148 VanDerWaalsContact O-N 3.09Å; M118-I150 HydrophobicContact CB-CD1 4.22Å; M118-I150 HydrophobicContact CB-CG1 4.16Å; M118-I150 HydrophobicContact CE-CD1 4.49Å
119V98.9Very high98Very high0 Ų041.2 Ų41.20%024%0.237CC..EExtended strand (participates in β ladder)trans-131.7135.1-179.4-176.60000109.9H47 H49 T117 R144 C147H47-V119 PolarHBondContact N-O 3.44Å; H47-V119 PolarHBondContact O-N 3.04Å; H49-V119 HydrophobicContact CB-CG2 4.15Å; H49-V119 WeakPolarHBondContact CD2-CG2 3.02Å; T117-V119 HydrophobicContact CG2-CG2 3.87Å; V119-R144 HydrophobicContact CG1-CB 3.76Å; V119-R144 HydrophobicContact CG1-CG 3.74Å; V119-C147 HydrophobicContact CG2-CB 3.95Å
120I98.8Very high98.1Very high0 Ų041.2 Ų41.20%024%0.237CC..EExtended strand (participates in β ladder)trans-107130.9167.3-176.467.1000109.1L9 T15 I36 L39 H44 F46 V88 L145 A146L9-I120 HydrophobicContact CD1-CG2 4.33Å; T15-I120 HydrophobicContact CG2-CG2 4.04Å; I36-I120 HydrophobicContact CD1-CB 4.14Å; I36-I120 HydrophobicContact CD1-CD1 4.13Å; I36-I120 HydrophobicContact CD1-CG1 4.08Å; L39-I120 HydrophobicContact CD1-CG1 4.44Å; L39-I120 HydrophobicContact CD2-CG1 3.98Å; H44-I120 HydrophobicContact CB-CD1 3.51Å; H44-I120 HydrophobicContact CB-CG1 4.17Å; F46-I120 HydrophobicContact CB-CD1 4.34Å; F46-I120 HydrophobicContact CD2-CB 4.26Å; F46-I120 HydrophobicContact CD2-CD1 3.89Å; V88-I120 HydrophobicContact CG2-CD1 3.36Å; I120-L145 HydrophobicContact CG2-CB 4.37Å; I120-L145 PolarHBondContact O-N 3.27Å; I120-A146 HydrophobicContact CG2-CB 3.71Å; I120-A146 WeakPolarHBondContact CG2-O 3.4Å; I120-A146 PolarHBondContact N-O 2.98Å
121H98.7Very high98.3Very high7 Ų739.6 Ų39.63%0.03224%0.241CC..EExtended strand (participates in β ladder)trans-100.1164.6-171.8-75.9-102.5000113.6H44 G45 H47 H49 A141 G142 G143 L145H44-H121 PolarHBondContact ND1-O 3.24Å; G45-H121 WeakPolarHBondContact O-CB 3.29Å; G45-H121 PolarHBondContact O-CD2 3.21Å; G45-H121 PolarHBondContact O-N 3.25Å; H47-H121 AromaticContact CE1-CD2 3.77Å; H47-H121 AromaticContact CE1-NE2 3.9Å; H47-H121 AromaticContact ND1-CD2 3.22Å; H47-H121 PolarHBondContact ND1-CD2 3.15Å; H47-H121 AromaticContact ND1-NE2 3.1Å; H47-H121 PolarHBondContact ND1-NE2 2.77Å; H47-H121 VanDerWaalsContact ND1-NE2 3.1Å; H49-H121 AromaticContact NE2-CE1 3.97Å; H49-H121 AromaticContact NE2-NE2 3.32Å; H49-H121 PolarHBondContact NE2-NE2 2.75Å; H121-A141 HydrophobicContact CB-CB 3.71Å; H121-A141 WeakPolarHBondContact CB-O 3.47Å; H121-G142 PolarHBondContact ND1-O 3.47Å; H121-G143 CarbonylContact C-O 3.55Å; H121-G143 WeakPolarHBondContact CA-O 3.41Å; H121-G143 PolarHBondContact ND1-O 3.47Å; H121-L145 WeakPolarHBondContact O-CD1 3.49Å
122E98.1Very high98.3Very high100 Ų10041.8 Ų41.847%0.46725%0.253SS..SBendtrans-69.6-36.9-179-175.4-169.517300113H44 G143 L145H44-E122 PolarHBondContact CE1-O 3.19Å; H44-E122 VanDerWaalsContact CE1-O 3.24Å; H44-E122 PolarHBondContact ND1-O 2.78Å; E122-G143 PolarHBondContact N-O 2.9Å; E122-G143 PolarHBondContact OE2-N 2.97Å; E122-L145 HydrophobicContact CB-CD2 4.1Å; E122-L145 HydrophobicContact CB-CG 4.27Å; E122-L145 HydrophobicContact CG-CD2 4.36Å
123K98.6Very high98.3Very high114 Ų11447.8 Ų47.850%0.49628%0.278SS..SBendtrans-120.7167.1-173.4-54.7179.8-178.2177.60111E43 G45 A141E43-K123 CarbonylContact O-C 3.56Å; G45-K123 PolarHBondContact N-O 2.82Å; K123-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 PolarHBondContact N-O 3.23Å
124A98.8Very high98.3Very high42 Ų4251.5 Ų51.535%0.34730%0.296SS..  trans-59.4136.1168.400000110.7E43 N87E43-A124 HydrophobicContact CB-CB 3.78Å; E43-A124 WeakPolarHBondContact O-CA 3.27Å; E43-A124 PolarHBondContact O-N 3.22Å; E43-A124 VanDerWaalsContact O-N 3.15Å; N87-A124 WeakPolarHBondContact OD1-CA 3.35Å
125D98.6Very high98.2Very high4 Ų449.2 Ų49.22%0.02128%0.284CS..  trans-73.2123.5162.3177.50.3000109H47 H72 N87 L127 G139 A141H47-D125 IonicContact CD2-OD2 3.77Å; H47-D125 IonicContact CE1-OD2 3.79Å; H47-D125 IonicContact NE2-OD2 3.15Å; H47-D125 PolarHBondContact NE2-OD2 3.47Å; H72-D125 IonicContact CD2-OD1 3.69Å; H72-D125 IonicContact CE1-OD1 3.58Å; H72-D125 IonicContact CE1-OD2 2.77Å; H72-D125 PolarHBondContact CE1-OD2 3.22Å; H72-D125 IonicContact NE2-OD1 3.72Å; H72-D125 PolarHBondContact NE2-OD1 3.28Å; H72-D125 IonicContact NE2-OD2 2.77Å; H72-D125 PolarHBondContact NE2-OD2 2.88Å; N87-D125 PolarHBondContact ND2-O 3.03Å; N87-D125 WeakPolarHBondContact OD1-CB 3.32Å; N87-D125 PolarHBondContact OD1-N 3.43Å; D125-L127 HydrophobicContact CB-CD2 4.24Å; D125-L127 PolarHBondContact O-N 3Å; D125-L127 WeakPolarHBondContact OD1-CA 3.21Å; D125-L127 PolarHBondContact OD1-N 3.14Å; D125-G139 WeakPolarHBondContact CA-O 3.48Å; D125-G139 WeakPolarHBondContact OD1-CA 3.48Å; D125-A141 HydrophobicContact CB-CB 4.38Å
126D98.5Very high98.2Very high40 Ų4050.4 Ų50.421%0.21428%0.281CS..  trans-78.21.7177.272.126000114.4G128 K129 G130 S135 G139 N140D126-G128 PolarHBondContact O-N 2.86Å; D126-G128 PolarHBondContact OD1-N 3.16Å; D126-K129 WeakPolarHBondContact O-CB 3.17Å; D126-K129 PolarHBondContact O-N 2.71Å; D126-K129 PolarHBondContact OD1-N 3.05Å; D126-G130 WeakPolarHBondContact OD2-CA 3.46Å; D126-S135 WeakPolarHBondContact OD1-CB 3.37Å; D126-S135 PolarHBondContact OD1-OG 3.25Å; D126-S135 VanDerWaalsContact OD2-CB 3.29Å; D126-S135 WeakPolarHBondContact OD2-CB 3.45Å; D126-S135 PolarHBondContact OD2-OG 3.08Å; D126-S135 VanDerWaalsContact OD2-OG 3.06Å; D126-G139 VanDerWaalsContact CG-O 3.24Å; D126-G139 PolarHBondContact N-O 3.3Å; D126-G139 WeakPolarHBondContact OD1-CA 3.39Å; D126-N140 PolarHBondContact OD2-ND2 3.49Å
127L98.5Very high98.1Very high46 Ų4652.7 Ų52.724%0.24129%0.292CS..THydrogen-bonded Turntrans61.228.9174.6-45.9179.2000113.6G74 D125 K129G74-L127 PolarHBondContact N-O 2.9Å; D125-L127 HydrophobicContact CB-CD2 4.24Å; D125-L127 PolarHBondContact O-N 3Å; D125-L127 WeakPolarHBondContact OD1-CA 3.21Å; D125-L127 PolarHBondContact OD1-N 3.14Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 HydrophobicContact CB-CD 4.5Å
128G98.2Very high98Very high18 Ų1854.7 Ų54.719%0.18631%0.305CS..THydrogen-bonded Turntrans80.111.2-177.100000113.6D126 S135D126-G128 PolarHBondContact O-N 2.86Å; D126-G128 PolarHBondContact OD1-N 3.16Å; G128-S135 WeakPolarHBondContact CA-O 3.37Å; G128-S135 WeakPolarHBondContact CA-OG 3.34Å; G128-S135 PolarHBondContact O-OG 3.12Å
129K98.2Very high98Very high139 Ų13954.7 Ų54.760%0.60431%0.305SS*.  trans-111.19.5-172-59.4168.7-171.6168.70113.3D77 D126 L127 G131 S135D77-K129 IonicContact OD1-NZ 3.87Å; D77-K129 IonicContact OD2-NZ 3.85Å; D126-K129 WeakPolarHBondContact O-CB 3.17Å; D126-K129 PolarHBondContact O-N 2.71Å; D126-K129 PolarHBondContact OD1-N 3.05Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 HydrophobicContact CB-CD 4.5Å; K129-G131 VanDerWaalsContact C-N 3.31Å; K129-G131 PolarHBondContact O-N 3Å; K129-S135 PolarHBondContact N-OG 2.84Å; K129-S135 VanDerWaalsContact N-OG 3.15Å
130G96.6Very high98Very high42 Ų4257.2 Ų57.243%0.43332%0.318SS..SBendtrans-77.6-7.9-179.900000115.4D126 N132 S135D126-G130 WeakPolarHBondContact OD2-CA 3.46Å; G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.38Å; G130-S135 PolarHBondContact N-OG 2.77Å
131G96.9Very high97.9Very high81 Ų8157.2 Ų57.284%0.83532%0.318SS*.SBendtrans75.513.9173.500000115.6K129K129-G131 VanDerWaalsContact C-N 3.31Å; K129-G131 PolarHBondContact O-N 3Å
132N97.2Very high97.8Very high74 Ų7458.9 Ų58.940%0.39634%0.338SS..SBendtrans-125.2168.3173.966.535.9000111.2G130 E134 S135 N140G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.38Å; N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.25Å; N132-E134 PolarHBondContact OD1-N 2.84Å; N132-S135 WeakPolarHBondContact O-CB 3.38Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 WeakPolarHBondContact OD1-CB 3.43Å; N132-S135 PolarHBondContact OD1-N 3.15Å; N132-N140 PolarHBondContact ND2-ND2 3.16Å; N132-N140 PolarHBondContact OD1-ND2 3.43Å
133E97.3Very high97.8Very high148 Ų14855.7 Ų55.769%0.69233%0.331SS*.THydrogen-bonded Turntrans-63.8-31.5-178.6-67.8-170.5179.300113.5L136 K137E133-L136 PolarHBondContact O-N 3.24Å; E133-K137 IonicContact OE2-NZ 3.04Å
134E97.6Very high97.8Very high79 Ų7954.3 Ų54.337%0.36932%0.323SS..THydrogen-bonded Turntrans-73.1-31.3-176.9-168.757.5-152.400111.9N132 L136 K137 T138 G139 N140N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.25Å; N132-E134 PolarHBondContact OD1-N 2.84Å; E134-L136 PolarHBondContact O-N 3.21Å; E134-K137 PolarHBondContact O-N 3.22Å; E134-T138 WeakPolarHBondContact CG-OG1 3.46Å; E134-T138 PolarHBondContact O-N 3.36Å; E134-T138 PolarHBondContact O-OG1 3.35Å; E134-T138 WeakPolarHBondContact OE1-CB 3.49Å; E134-T138 WeakPolarHBondContact OE1-CG2 3.47Å; E134-T138 PolarHBondContact OE1-OG1 2.77Å; E134-G139 PolarHBondContact O-N 2.77Å; E134-N140 WeakPolarHBondContact CB-OD1 3.4Å; E134-N140 WeakPolarHBondContact CG-OD1 3.49Å
135S97.9Very high97.7Very high0 Ų054.6 Ų54.60%032%0.318CS..Hα-helixtrans-54.5-42.6171.7178.50000111H72 D126 G128 K129 G130 N132 K137 G139 N140H72-S135 PolarHBondContact CD2-O 2.79Å; D126-S135 WeakPolarHBondContact OD1-CB 3.37Å; D126-S135 PolarHBondContact OD1-OG 3.25Å; D126-S135 VanDerWaalsContact OD2-CB 3.29Å; D126-S135 WeakPolarHBondContact OD2-CB 3.45Å; D126-S135 PolarHBondContact OD2-OG 3.08Å; D126-S135 VanDerWaalsContact OD2-OG 3.06Å; G128-S135 WeakPolarHBondContact CA-O 3.37Å; G128-S135 WeakPolarHBondContact CA-OG 3.34Å; G128-S135 PolarHBondContact O-OG 3.12Å; K129-S135 PolarHBondContact N-OG 2.84Å; K129-S135 VanDerWaalsContact N-OG 3.15Å; G130-S135 PolarHBondContact N-OG 2.77Å; N132-S135 WeakPolarHBondContact O-CB 3.38Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 WeakPolarHBondContact OD1-CB 3.43Å; N132-S135 PolarHBondContact OD1-N 3.15Å; S135-K137 PolarHBondContact O-N 2.88Å; S135-G139 WeakPolarHBondContact O-CA 3.43Å; S135-G139 PolarHBondContact O-N 2.94Å; S135-G139 VanDerWaalsContact O-N 3.16Å; S135-N140 WeakPolarHBondContact CA-ND2 3.47Å; S135-N140 WeakPolarHBondContact CB-ND2 3.45Å; S135-N140 PolarHBondContact N-ND2 2.9Å
136L97.7Very high97.7Very high63 Ų6354.4 Ų54.433%0.3332%0.317SS..Hα-helixtrans-77.11.3178.4-59.1176.9000114.1K71 H72 E133 E134K71-L136 HydrophobicContact CD-CD1 4.17Å; K71-L136 HydrophobicContact CD-CD2 4.42Å; H72-L136 VanDerWaalsContact CB-O 3.29Å; H72-L136 WeakPolarHBondContact CB-O 3.48Å; H72-L136 PolarHBondContact N-O 2.89Å; E133-L136 PolarHBondContact O-N 3.24Å; E134-L136 PolarHBondContact O-N 3.21Å
137K97.4Very high97.8Very high110 Ų11052.8 Ų52.848%0.47831%0.309SS..Hα-helixtrans-118.9-43.3-179.8-65.6174.7-170.1164.30113.1H81 E133 E134 S135H81-K137 PolarHBondContact CE1-O 2.73Å; E133-K137 IonicContact OE2-NZ 3.04Å; E134-K137 PolarHBondContact O-N 3.22Å; S135-K137 PolarHBondContact O-N 2.88Å
138T97.4Very high97.8Very high42 Ų4250.9 Ų50.926%0.25830%0.301SS..Hα-helixtrans-137.10.5-170.564.10000113.2E134 N140 A141E134-T138 WeakPolarHBondContact CG-OG1 3.46Å; E134-T138 PolarHBondContact O-N 3.36Å; E134-T138 PolarHBondContact O-OG1 3.35Å; E134-T138 WeakPolarHBondContact OE1-CB 3.49Å; E134-T138 WeakPolarHBondContact OE1-CG2 3.47Å; E134-T138 PolarHBondContact OE1-OG1 2.77Å; T138-N140 PolarHBondContact O-N 2.63Å; T138-N140 VanDerWaalsContact O-N 3.15Å; T138-A141 PolarHBondContact O-N 3.33Å
139G98.3Very high97.8Very high0 Ų053 Ų530%031%0.31CS..THydrogen-bonded Turntrans66.513.6-176.900000114.4H72 D125 D126 E134 S135 A141H72-G139 PolarHBondContact CD2-N 3.39Å; H72-G139 WeakPolarHBondContact NE2-CA 3.14Å; D125-G139 WeakPolarHBondContact CA-O 3.48Å; D125-G139 WeakPolarHBondContact OD1-CA 3.48Å; D126-G139 VanDerWaalsContact CG-O 3.24Å; D126-G139 PolarHBondContact N-O 3.3Å; D126-G139 WeakPolarHBondContact OD1-CA 3.39Å; E134-G139 PolarHBondContact O-N 2.77Å; S135-G139 WeakPolarHBondContact O-CA 3.43Å; S135-G139 PolarHBondContact O-N 2.94Å; S135-G139 VanDerWaalsContact O-N 3.16Å; G139-A141 PolarHBondContact O-N 3.22Å; G139-A141 VanDerWaalsContact O-N 3.12Å
140N98.1Very high97.8Very high52 Ų5246.4 Ų46.428%0.27828%0.281SS..THydrogen-bonded Turntrans55.723.7-172.4-67.1-64.8000114.6D126 N132 E134 S135 T138 G142D126-N140 PolarHBondContact OD2-ND2 3.49Å; N132-N140 PolarHBondContact ND2-ND2 3.16Å; N132-N140 PolarHBondContact OD1-ND2 3.43Å; E134-N140 WeakPolarHBondContact CB-OD1 3.4Å; E134-N140 WeakPolarHBondContact CG-OD1 3.49Å; S135-N140 WeakPolarHBondContact CA-ND2 3.47Å; S135-N140 WeakPolarHBondContact CB-ND2 3.45Å; S135-N140 PolarHBondContact N-ND2 2.9Å; T138-N140 PolarHBondContact O-N 2.63Å; T138-N140 VanDerWaalsContact O-N 3.15Å; N140-G142 PolarHBondContact O-N 2.58Å; N140-G142 VanDerWaalsContact O-N 3.08Å
141A97.6Very high97.9Very high0 Ų045.8 Ų45.80%028%0.275CS..  trans-68.8-8.8-174.600000114.4H121 K123 D125 T138 G139H121-A141 HydrophobicContact CB-CB 3.71Å; H121-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 PolarHBondContact N-O 3.23Å; D125-A141 HydrophobicContact CB-CB 4.38Å; T138-A141 PolarHBondContact O-N 3.33Å; G139-A141 PolarHBondContact O-N 3.22Å; G139-A141 VanDerWaalsContact O-N 3.12Å
142G96.8Very high98Very high43 Ų4348.6 Ų48.644%0.44327%0.269SS..  trans74-146.217200000114.2H121 N140H121-G142 PolarHBondContact ND1-O 3.47Å; N140-G142 PolarHBondContact O-N 2.58Å; N140-G142 VanDerWaalsContact O-N 3.08Å
143G97.1Very high98Very high33 Ų3347.9 Ų47.934%0.3427%0.268SS..SBendtrans-62162.7-174.300000114.1H121 E122H121-G143 CarbonylContact C-O 3.55Å; H121-G143 WeakPolarHBondContact CA-O 3.41Å; H121-G143 PolarHBondContact ND1-O 3.47Å; E122-G143 PolarHBondContact N-O 2.9Å; E122-G143 PolarHBondContact OE2-N 2.97Å
144R98.3Very high97.4Very high84 Ų8451.4 Ų51.432%0.31728%0.284SS..EExtended strand (participates in β ladder)trans-100.9108.1177.6-56.8-179.2-170.3-170.7-3.4108.8H49 C58 I59 G62 V119H49-R144 PolarHBondContact CE1-NH2 3.01Å; C58-R144 HydrophobicContact CB-CB 3.71Å; C58-R144 HydrophobicContact CB-CG 4.41Å; C58-R144 VanDerWaalsContact O-CD 3.3Å; C58-R144 WeakPolarHBondContact O-CD 3.31Å; C58-R144 PolarHBondContact O-NH1 2.69Å; I59-R144 PolarHBondContact O-NH1 3.33Å; G62-R144 VanDerWaalsContact O-CZ 3.31Å; G62-R144 PolarHBondContact O-NH1 3.36Å; G62-R144 PolarHBondContact O-NH2 3.03Å; V119-R144 HydrophobicContact CG1-CB 3.76Å; V119-R144 HydrophobicContact CG1-CG 3.74Å
145L98.3Very high97.4Very high48 Ų4850 Ų5025%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-76.5-47.2-174.6-64.7-179.4000111.8G11 T15 L39 I120 H121 E122G11-L145 WeakPolarHBondContact CA-O 3.48Å; T15-L145 HydrophobicContact CG2-CB 4.1Å; L39-L145 HydrophobicContact CD2-CD1 3.64Å; I120-L145 HydrophobicContact CG2-CB 4.37Å; I120-L145 PolarHBondContact O-N 3.27Å; H121-L145 WeakPolarHBondContact O-CD1 3.49Å; E122-L145 HydrophobicContact CB-CD2 4.1Å; E122-L145 HydrophobicContact CB-CG 4.27Å; E122-L145 HydrophobicContact CG-CD2 4.36Å
146A98.7Very high97.3Very high0 Ų052.6 Ų52.60%030%0.295CS..EExtended strand (participates in β ladder)trans-148.8155.4178.200000111L9 K10 T15 I120L9-A146 HydrophobicContact CB-CB 4.13Å; K10-A146 VanDerWaalsContact C-CB 3.48Å; K10-A146 WeakPolarHBondContact O-CA 3.45Å; T15-A146 HydrophobicContact CG2-CB 3.8Å; I120-A146 HydrophobicContact CG2-CB 3.71Å; I120-A146 WeakPolarHBondContact CG2-O 3.4Å; I120-A146 PolarHBondContact N-O 2.98Å
147C98.8Very high97.3Very high6 Ų652.1 Ų52.14%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-152.3165.2178.558.40000112K10 N54 C58 T117 M118 V119K10-C147 PolarHBondContact N-O 3.25Å; K10-C147 PolarHBondContact O-N 3.28Å; N54-C147 PolarHBondContact ND2-SG 3.09Å; C58-C147 WeakPolarHBondContact CA-SG 3.17Å; C58-C147 HydrophobicContact CB-CB 3.72Å; C58-C147 WeakPolarHBondContact CB-SG 3.35Å; C58-C147 WeakPolarHBondContact SG-CB 3.36Å; C58-C147 PolarHBondContact SG-N 2.75Å; C58-C147 VanDerWaalsContact SG-N 3.41Å; C58-C147 CovalentContact SG-SG 2.04Å; C58-C147 PolarHBondContact SG-SG 2.7Å; T117-C147 HydrophobicContact CG2-CB 3.65Å; M118-C147 CarbonylContact O-C 3.57Å; M118-C147 WeakPolarHBondContact O-CA 3.42Å; M118-C147 WeakPolarHBondContact O-CB 3.47Å; V119-C147 HydrophobicContact CG2-CB 3.95Å
148G98.8Very high97.3Very high6 Ų648.6 Ų48.66%0.06228%0.282CS..EExtended strand (participates in β ladder)trans-165.2149.8175.600000111.6C7 V8 T117 M118C7-G148 VanDerWaalsContact SG-CA 3.57Å; C7-G148 PolarHBondContact SG-O 2.91Å; V8-G148 WeakPolarHBondContact O-CA 3.15Å; T117-G148 CarbonylContact C-O 3.55Å; T117-G148 VanDerWaalsContact CA-O 3.31Å; T117-G148 WeakPolarHBondContact CA-O 3.44Å; M118-G148 PolarHBondContact N-O 3.06Å; M118-G148 PolarHBondContact O-N 3.18Å; M118-G148 VanDerWaalsContact O-N 3.09Å
149V98.9Very high97.3Very high64 Ų6449.1 Ų49.139%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-76133.6175.3-178.20000109.2R116 G151R116-V149 CarbonylContact O-C 3.55Å; R116-V149 WeakPolarHBondContact O-CA 3.35Å; V149-G151 PolarHBondContact O-N 3.43Å
150I98.9Very high97.2Very high0 Ų052.3 Ų52.30%030%0.302CS..  trans-79.4108.8179.3-58.9157.3000108.2A5 C7 F21 V48 I113 I114 G115 R116 M118A5-I150 HydrophobicContact CB-CG2 3.78Å; C7-I150 HydrophobicContact CB-CG1 4.03Å; F21-I150 HydrophobicContact CD2-CG2 4.12Å; F21-I150 HydrophobicContact CE2-CG1 4.23Å; F21-I150 HydrophobicContact CE2-CG2 4Å; F21-I150 HydrophobicContact CZ-CD1 4.33Å; F21-I150 HydrophobicContact CZ-CG1 4.22Å; V48-I150 HydrophobicContact CG1-CD1 4.05Å; V48-I150 HydrophobicContact CG2-CD1 4.14Å; I113-I150 HydrophobicContact CB-CD1 4.16Å; I113-I150 HydrophobicContact CD1-CD1 4.12Å; I113-I150 HydrophobicContact CG1-CD1 4.33Å; I114-I150 HydrophobicContact CD1-CG2 4.28Å; G115-I150 PolarHBondContact N-O 3.46Å; R116-I150 PolarHBondContact O-N 3.15Å; M118-I150 HydrophobicContact CB-CD1 4.22Å; M118-I150 HydrophobicContact CB-CG1 4.16Å; M118-I150 HydrophobicContact CE-CD1 4.49Å
151G98.6Very high97.2Very high29 Ų2952.4 Ų52.430%0.29930%0.304SS..EExtended strand (participates in β ladder)trans-105154.1-177.700000112.7A5 V6 V149A5-G151 CarbonylContact C-O 3.52Å; A5-G151 WeakPolarHBondContact CA-O 3.29Å; A5-G151 VanDerWaalsContact CB-O 3.26Å; A5-G151 WeakPolarHBondContact CB-O 3.34Å; V6-G151 PolarHBondContact N-O 3.39Å; V6-G151 PolarHBondContact O-N 2.81Å; V149-G151 PolarHBondContact O-N 3.43Å
152I98Very high97.1Very high139 Ų13956.4 Ų56.471%0.71333%0.327SS*.EExtended strand (participates in β ladder)trans-65.2141.8170.8-59.7171000109I114I114-I152 HydrophobicContact CD1-CG1 4.35Å; I114-I152 HydrophobicContact CG2-CD1 4.25Å; I114-I152 HydrophobicContact CG2-CG1 3.82Å
153T96.5Very high97.2Very high59 Ų5957.5 Ų57.536%0.36232%0.317SS..  trans-132.1165.9176.1-170.10000112.1K4 V6K4-T153 HydrophobicContact CB-CG2 3.57Å; K4-T153 PolarHBondContact O-N 3.39Å; V6-T153 HydrophobicContact CB-CG2 4.26Å; V6-T153 HydrophobicContact CG1-CG2 4.43Å
154Q85.3Confident97.2Very high222 Ų22259.7 Ų59.7100%1.03732%0.315SS*.  trans-65.70172.1-176.4178.422.700112.8K4K4-Q154 WeakPolarHBondContact CD-O 3.32Å

Retrieved 154 of 154 residues in 95.3 ms (Link to these results)

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