A0A1D5QZP0_MACMU Loading...

Deoxyribonuclease

Divalent cation-dependent acid DNA endonuclease involved in the breakdown of the nucleus during corneocyte formation of epidermal keratinocytes. May play an immune role by eliminating harmful DNA released into the extracellular environment by damaged epidermal cells.

AlphaFold DB , UniProt , Accession A0A1D5QZP0, Species MACMU (Macaca mulatta, Rhesus macaque), Gene DNASE1L2, Length 278 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
1M45.2Very low51.4Low245 Ų245108.5 Ų108.5100%1.20763%0.626SS**  0860-68171.37100108.2G3M1-G3 PolarHBondContact O-N 3.37Å
2S47.2Very low51.4Low106 Ų106114.4 Ų114.474%0.74163%0.631SS**  trans-73.4112171.233.60000108
3G47.2Very low51.3Low37 Ų37110.2 Ų110.238%0.38162%0.62SS.*  trans-71.7164.8-173.100000113.9M1 R5 A6M1-G3 PolarHBondContact O-N 3.37Å; G3-R5 PolarHBondContact O-N 3Å; G3-A6 PolarHBondContact O-N 3.02Å
4P56.4Low51Low102 Ų102112.1 Ų112.166%0.66263%0.627SS**Hα-helixtrans-57.3-22.1-179.119.6-30.8000114L7 L8P4-L7 PolarHBondContact O-N 2.99Å; P4-L8 VanDerWaalsContact O-CD1 3.27Å; P4-L8 WeakPolarHBondContact O-CD1 3.27Å; P4-L8 PolarHBondContact O-N 3.42Å
5R52.5Low50.7Low222 Ų222113.1 Ų113.184%0.83863%0.625SS**Hα-helixtrans-67.2-33174.6-74.1-177.9168.4170.6-3.9114.1G3 A9G3-R5 PolarHBondContact O-N 3Å; R5-A9 WeakPolarHBondContact O-CB 3.42Å; R5-A9 PolarHBondContact O-N 3.01Å
6A54.3Low50.5Low59 Ų59111.6 Ų111.649%0.48863%0.632SS.*Hα-helixtrans-73.6-33.6176.800000111.5G3 A10G3-A6 PolarHBondContact O-N 3.02Å; A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 2.99Å
7L53.8Low50.3Low106 Ų106109.5 Ų109.556%0.55563%0.632SS**Hα-helixtrans-67.5-44.4171.3-92.7135000111.7P4 A10 L11P4-L7 PolarHBondContact O-N 2.99Å; L7-A10 PolarHBondContact O-N 2.91Å; L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 VanDerWaalsContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 3.38Å
8L52.1Low50.4Low102 Ų102114.9 Ų114.953%0.53464%0.64SS.*Hα-helixtrans-61.6-46.4173.9-95.899.7000112P4 A10 L11 W12P4-L8 VanDerWaalsContact O-CD1 3.27Å; P4-L8 WeakPolarHBondContact O-CD1 3.27Å; P4-L8 PolarHBondContact O-N 3.42Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-W12 PolarHBondContact O-N 2.86Å
9A54.1Low50.7Low62 Ų62111.1 Ų111.151%0.51262%0.624SS.*Hα-helixtrans-62.9-36.2178.300000112.7R5 A13R5-A9 WeakPolarHBondContact O-CB 3.42Å; R5-A9 PolarHBondContact O-N 3.01Å; A9-A13 VanDerWaalsContact O-CB 3.32Å; A9-A13 WeakPolarHBondContact O-CB 3.24Å; A9-A13 PolarHBondContact O-N 2.94Å
10A52.7Low51.9Low56 Ų56110.1 Ų110.146%0.46362%0.621SS.*Hα-helixtrans-69.6-36.6174.300000112.5A6 L7 L8 A13 L14A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 2.99Å; L7-A10 PolarHBondContact O-N 2.91Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.19Å; A10-A13 PolarHBondContact O-N 3.49Å; A10-L14 WeakPolarHBondContact O-CB 3.4Å; A10-L14 PolarHBondContact O-N 3.36Å
11L50.1Low53.6Low97 Ų97106.9 Ų106.951%0.50861%0.608SS.*Hα-helixtrans-67.4-43.1173-96.8113.8000112.1L7 L8 A13 L14 E15L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 VanDerWaalsContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.49Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-L14 VanDerWaalsContact O-N 3.13Å; L11-E15 PolarHBondContact O-N 3.48Å
12W51.8Low55.9Low179 Ų17996.3 Ų96.368%0.67856%0.557SS**Hα-helixtrans-62.7-39173.4-84.896.6000112.1L8 L14 E15 A16L8-W12 PolarHBondContact O-N 2.86Å; W12-L14 VanDerWaalsContact C-N 3.33Å; W12-E15 PolarHBondContact O-N 3.12Å; W12-A16 WeakPolarHBondContact O-CB 3.49Å; W12-A16 PolarHBondContact O-N 3.13Å
13A49.8Very low58.3Low60 Ų6094.3 Ų94.350%0.49653%0.533SS..Hα-helixtrans-68.5-31.3173.400000112.6A9 A10 L11 A17A9-A13 VanDerWaalsContact O-CB 3.32Å; A9-A13 WeakPolarHBondContact O-CB 3.24Å; A9-A13 PolarHBondContact O-N 2.94Å; A10-A13 PolarHBondContact O-N 3.49Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.49Å; A13-A17 WeakPolarHBondContact O-CB 3.17Å; A13-A17 PolarHBondContact O-N 2.87Å; A13-A17 VanDerWaalsContact O-N 3.12Å
14L47.2Very low60.7Low136 Ų13692.5 Ų92.571%0.71252%0.515SS*.Hα-helixtrans-74.6-35.2175.3-128.976.6000112.6A10 L11 W12A10-L14 WeakPolarHBondContact O-CB 3.4Å; A10-L14 PolarHBondContact O-N 3.36Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-L14 VanDerWaalsContact O-N 3.13Å; W12-L14 VanDerWaalsContact C-N 3.33Å
15E46.6Very low62.7Low127 Ų12787.7 Ų87.759%0.59348%0.484SS*.Hα-helixtrans-73.7-42174.3-81.4175.6154.200111.5L11 W12 A17 R18L11-E15 PolarHBondContact O-N 3.48Å; W12-E15 PolarHBondContact O-N 3.12Å; E15-A17 PolarHBondContact O-N 3.43Å; E15-R18 PolarHBondContact O-N 2.95Å
16A47.9Very low64.9Low90 Ų9077.1 Ų77.174%0.74444%0.444SS*.Hα-helixtrans-66.9-20.4173.900000113.4W12W12-A16 WeakPolarHBondContact O-CB 3.49Å; W12-A16 PolarHBondContact O-N 3.13Å
17A46.8Very low67.1Low76 Ų7674.4 Ų74.463%0.62842%0.421SS*.THydrogen-bonded Turntrans-95.17.3178.300000114.2A13 E15 A19A13-A17 WeakPolarHBondContact O-CB 3.17Å; A13-A17 PolarHBondContact O-N 2.87Å; A13-A17 VanDerWaalsContact O-N 3.12Å; E15-A17 PolarHBondContact O-N 3.43Å; A17-A19 VanDerWaalsContact C-N 3.28Å; A17-A19 PolarHBondContact O-N 3.3Å
18R51.1Low69.2Low207 Ų20769.3 Ų69.378%0.78139%0.394SS*.  trans-74.488.6165.7-98-177.9173.9180-0.7108.5E15 T20E15-R18 PolarHBondContact O-N 2.95Å; R18-T20 PolarHBondContact O-N 3.3Å
19A57.6Low71.4Confident41 Ų4164.5 Ų64.534%0.33937%0.369SS..  trans-54.5111.1158.600000106.6A17 S276A17-A19 VanDerWaalsContact C-N 3.28Å; A17-A19 PolarHBondContact O-N 3.3Å; A19-S276 WeakPolarHBondContact O-CB 3.39Å; A19-S276 PolarHBondContact O-OG 2.97Å
20T72.9Confident73.5Confident91 Ų9164.9 Ų64.956%0.55836%0.36SS*.  trans-75.4161.9175.747.60000109R18R18-T20 PolarHBondContact O-N 3.3Å
21A88.8Confident75.5Confident43 Ų4364.7 Ų64.736%0.35536%0.356SS..  trans-59.2145.8167.600000109T273 L274A21-T273 HydrophobicContact CB-CG2 3.67Å; A21-L274 CarbonylContact C-O 3.49Å; A21-L274 WeakPolarHBondContact CA-O 3.07Å; A21-L274 WeakPolarHBondContact CB-O 3.29Å
22L93.1Very high77.8Confident23 Ų2360.1 Ų60.112%0.1233%0.331CS..EExtended strand (participates in β ladder)trans-104.9108.4-178.5-170.775.4000109.1I24 D54 A109 V110 L143 T273 L274L22-I24 HydrophobicContact CD2-CD1 3.97Å; L22-I24 HydrophobicContact CD2-CG1 4.15Å; L22-I24 HydrophobicContact CG-CD1 4.44Å; L22-I24 HydrophobicContact CG-CG1 4.12Å; L22-D54 WeakPolarHBondContact CA-OD2 3.08Å; L22-D54 HydrophobicContact CD1-CB 3.35Å; L22-D54 HydrophobicContact CG-CB 4.18Å; L22-A109 HydrophobicContact CD1-CB 4.08Å; L22-V110 HydrophobicContact CD1-CG1 3.8Å; L22-V110 HydrophobicContact CD2-CG1 4Å; L22-L143 HydrophobicContact CD2-CD2 4.45Å; L22-T273 CarbonylContact O-C 3.56Å; L22-T273 WeakPolarHBondContact O-CA 3.48Å; L22-L274 HydrophobicContact CB-CB 4.25Å; L22-L274 HydrophobicContact CD2-CD1 4.36Å; L22-L274 PolarHBondContact N-O 2.9Å; L22-L274 PolarHBondContact O-N 2.92Å
23R96.9Very high80Confident64 Ų6452 Ų5224%0.24230%0.304CS..EExtended strand (participates in β ladder)trans-87.8121.5175.1-162.4-172.1178.1-165.4-0.4109.1G52 Y53 D54 L55 H248 E271R23-G52 WeakPolarHBondContact CD-O 3.21Å; R23-G52 PolarHBondContact NH1-O 2.82Å; R23-Y53 HydrophobicContact CG-CD1 3.9Å; R23-Y53 HydrophobicContact CG-CE1 4.31Å; R23-D54 PolarHBondContact N-OD2 3.17Å; R23-D54 PolarHBondContact O-N 3.1Å; R23-L55 PolarHBondContact O-N 3.01Å; R23-H248 PolarHBondContact NH2-NE2 2.87Å; R23-E271 IonicContact CZ-OE1 3.62Å; R23-E271 IonicContact CZ-OE2 3.54Å; R23-E271 VanDerWaalsContact CZ-OE2 3.29Å; R23-E271 IonicContact NE-OE1 2.79Å; R23-E271 PolarHBondContact NE-OE1 2.66Å; R23-E271 IonicContact NE-OE2 3.38Å; R23-E271 PolarHBondContact NE-OE2 3.12Å; R23-E271 VanDerWaalsContact NH2-CD 3.33Å; R23-E271 IonicContact NH2-OE1 3.63Å; R23-E271 PolarHBondContact NH2-OE1 3.49Å; R23-E271 IonicContact NH2-OE2 2.76Å; R23-E271 PolarHBondContact NH2-OE2 3.42Å
24I98.6Very high82.4Confident0 Ų052.8 Ų52.80%030%0.3CS..EExtended strand (participates in β ladder)trans-117.3132.6-176.9-55.2173.2000108.5L22 L55 L143 L145 L179 L181 E271 V272 L274L22-I24 HydrophobicContact CD2-CD1 3.97Å; L22-I24 HydrophobicContact CD2-CG1 4.15Å; L22-I24 HydrophobicContact CG-CD1 4.44Å; L22-I24 HydrophobicContact CG-CG1 4.12Å; I24-L55 CarbonylContact C-O 3.57Å; I24-L55 WeakPolarHBondContact CA-O 3.25Å; I24-L55 HydrophobicContact CG1-CB 4.44Å; I24-L55 HydrophobicContact CG2-CG 4.46Å; I24-L143 HydrophobicContact CD1-CD2 3.58Å; I24-L145 HydrophobicContact CG2-CD2 3.98Å; I24-L179 HydrophobicContact CD1-CD1 3.56Å; I24-L179 HydrophobicContact CG2-CD1 4.4Å; I24-L181 HydrophobicContact CG2-CD1 4.1Å; I24-E271 CarbonylContact O-C 3.58Å; I24-E271 VanDerWaalsContact O-CA 3.24Å; I24-E271 WeakPolarHBondContact O-CA 3.48Å; I24-V272 HydrophobicContact CB-CG1 4.17Å; I24-V272 PolarHBondContact N-O 2.84Å; I24-V272 PolarHBondContact O-N 2.78Å; I24-L274 HydrophobicContact CD1-CD1 3.93Å; I24-L274 HydrophobicContact CD1-CG 4.11Å
25G98.8Very high84.8Confident1 Ų151.6 Ų51.61%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-124.7158.517800000113.3L55 A56 L57 V270G25-L55 PolarHBondContact N-O 2.88Å; G25-A56 CarbonylContact O-C 3.14Å; G25-A56 VanDerWaalsContact O-CA 3.32Å; G25-A56 WeakPolarHBondContact O-CA 3.19Å; G25-L57 PolarHBondContact O-N 2.54Å; G25-V270 CarbonylContact C-O 3.57Å; G25-V270 VanDerWaalsContact CA-O 3.31Å; G25-V270 WeakPolarHBondContact CA-O 2.99Å
26A98.9Very high87.3Confident0 Ų047 Ų470%028%0.281CS..EExtended strand (participates in β ladder)trans-130133.3161.700000109.2L57 L181 P269 V270A26-L57 CarbonylContact C-O 3.6Å; A26-L57 WeakPolarHBondContact CA-O 3.46Å; A26-L57 HydrophobicContact CB-CB 4.09Å; A26-L57 HydrophobicContact CB-CD2 4.1Å; A26-L57 HydrophobicContact CB-CG 4.48Å; A26-L181 HydrophobicContact CB-CB 4.02Å; A26-L181 HydrophobicContact CB-CD1 3.99Å; A26-L181 HydrophobicContact CB-CG 3.98Å; A26-P269 CarbonylContact O-C 3.49Å; A26-P269 VanDerWaalsContact O-CA 3.24Å; A26-P269 WeakPolarHBondContact O-CA 3.33Å; A26-V270 HydrophobicContact CB-CG2 4.12Å; A26-V270 PolarHBondContact N-O 3.19Å; A26-V270 PolarHBondContact O-N 3.09Å
27F98.9Very high89.7Confident1 Ų142.8 Ų42.80%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-139.7111.4-174.6-170.3-168.6000110.6I29 I49 L50 L57 V58 Q59 F250 I264 H267 P269F27-I29 HydrophobicContact CB-CG1 4.42Å; F27-I29 HydrophobicContact CD1-CD1 3.63Å; F27-I29 HydrophobicContact CD1-CG1 3.45Å; F27-I29 VanDerWaalsContact CD1-CG1 3.45Å; F27-I29 HydrophobicContact CD2-CG1 3.98Å; F27-I29 HydrophobicContact CE1-CD1 3.78Å; F27-I29 HydrophobicContact CE1-CG1 3.58Å; F27-I29 HydrophobicContact CE2-CG1 4.05Å; F27-I29 HydrophobicContact CG-CD1 4.28Å; F27-I29 HydrophobicContact CG-CG1 3.67Å; F27-I29 HydrophobicContact CZ-CG1 3.88Å; F27-I29 PolarHBondContact O-N 3.22Å; F27-I49 HydrophobicContact CD1-CG2 4.1Å; F27-I49 HydrophobicContact CE1-CD1 4.03Å; F27-I49 HydrophobicContact CE1-CG2 4.02Å; F27-I49 HydrophobicContact CZ-CD1 4.39Å; F27-L50 HydrophobicContact CD1-CD2 4.43Å; F27-L57 PolarHBondContact N-O 3.09Å; F27-V58 WeakPolarHBondContact O-CA 3.2Å; F27-Q59 PolarHBondContact O-N 3.31Å; F27-F250 HydrophobicContact CE2-CE1 4.05Å; F27-F250 HydrophobicContact CZ-CD1 4.22Å; F27-F250 AromaticContact CZ-CE1 3.82Å; F27-F250 HydrophobicContact CZ-CE1 3.82Å; F27-I264 HydrophobicContact CZ-CG2 4.19Å; F27-H267 VanDerWaalsContact CE2-O 3.27Å; F27-H267 WeakPolarHBondContact CE2-O 3.42Å; F27-P269 HydrophobicContact CB-CB 4.05Å; F27-P269 HydrophobicContact CB-CG 4.17Å; F27-P269 HydrophobicContact CD1-CG 3.84Å; F27-P269 HydrophobicContact CD2-CB 4.25Å; F27-P269 HydrophobicContact CD2-CG 3.71Å; F27-P269 HydrophobicContact CE1-CG 4.08Å; F27-P269 HydrophobicContact CE2-CG 3.99Å; F27-P269 HydrophobicContact CG-CB 4.08Å; F27-P269 HydrophobicContact CG-CG 3.65Å; F27-P269 HydrophobicContact CZ-CG 4.16Å
28N98.9Very high92.1Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-72.5115.9160.8-176.4-12.6000108.6Q59 E60 D183 S265 H267N28-Q59 HydrophobicContact CB-CB 4.38Å; N28-E60 PolarHBondContact ND2-OE1 3.42Å; N28-E60 WeakPolarHBondContact OD1-CB 3.49Å; N28-E60 WeakPolarHBondContact OD1-CG 3.49Å; N28-E60 PolarHBondContact OD1-OE1 2.91Å; N28-D183 HydrophobicContact CB-CB 4.1Å; N28-D183 PolarHBondContact ND2-OD2 3.2Å; N28-S265 PolarHBondContact O-OG 3.13Å; N28-H267 HydrophobicContact CB-CB 4.06Å
29I98.8Very high94.3Very high0 Ų036.1 Ų36.10%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7101.6175.2-54.5179.4000107.8F27 S31 F32 K36 I46 V58 Q59 E60 S265F27-I29 HydrophobicContact CB-CG1 4.42Å; F27-I29 HydrophobicContact CD1-CD1 3.63Å; F27-I29 HydrophobicContact CD1-CG1 3.45Å; F27-I29 VanDerWaalsContact CD1-CG1 3.45Å; F27-I29 HydrophobicContact CD2-CG1 3.98Å; F27-I29 HydrophobicContact CE1-CD1 3.78Å; F27-I29 HydrophobicContact CE1-CG1 3.58Å; F27-I29 HydrophobicContact CE2-CG1 4.05Å; F27-I29 HydrophobicContact CG-CD1 4.28Å; F27-I29 HydrophobicContact CG-CG1 3.67Å; F27-I29 HydrophobicContact CZ-CG1 3.88Å; F27-I29 PolarHBondContact O-N 3.22Å; I29-S31 PolarHBondContact O-N 3.5Å; I29-S31 VanDerWaalsContact O-N 3.08Å; I29-F32 HydrophobicContact CB-CB 4.04Å; I29-F32 HydrophobicContact CB-CD2 4.45Å; I29-F32 HydrophobicContact CD1-CD2 4.37Å; I29-F32 HydrophobicContact CG2-CB 4.01Å; I29-F32 HydrophobicContact CG2-CD2 3.94Å; I29-F32 HydrophobicContact CG2-CG 4.43Å; I29-F32 WeakPolarHBondContact O-CB 3.25Å; I29-F32 PolarHBondContact O-N 3Å; I29-K36 HydrophobicContact CG2-CD 4.06Å; I29-I46 HydrophobicContact CD1-CG1 4.42Å; I29-I46 HydrophobicContact CD1-CG2 3.61Å; I29-I46 HydrophobicContact CG2-CD1 3.87Å; I29-I46 HydrophobicContact CG2-CG1 4.46Å; I29-V58 HydrophobicContact CB-CG1 4.43Å; I29-V58 HydrophobicContact CD1-CG1 3.62Å; I29-V58 HydrophobicContact CD1-CG2 4.48Å; I29-V58 HydrophobicContact CG1-CG1 3.98Å; I29-Q59 PolarHBondContact N-O 3.37Å; I29-E60 WeakPolarHBondContact O-CB 3.38Å; I29-S265 WeakPolarHBondContact CA-OG 3.45Å
30Q97.1Very high96.1Very high70 Ų7039 Ų3933%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-44.6115.9-173.5-164.5-169.254.600112.8F32 K36 E60 S265 D266Q30-F32 VanDerWaalsContact C-N 3.32Å; Q30-F32 PolarHBondContact O-N 2.96Å; Q30-K36 PolarHBondContact O-NZ 3.14Å; Q30-E60 WeakPolarHBondContact CA-OE2 3.37Å; Q30-S265 PolarHBondContact N-OG 3.48Å; Q30-S265 VanDerWaalsContact N-OG 3.07Å; Q30-D266 WeakPolarHBondContact CB-OD1 3.46Å; Q30-D266 VanDerWaalsContact NE2-CG 3.29Å; Q30-D266 PolarHBondContact NE2-OD2 3.26Å
31S95.3Very high97.1Very high53 Ų5337.6 Ų37.637%0.37123%0.234SC..EExtended strand (participates in β ladder)trans47.748.6179.3-680000114I29 G33 E60I29-S31 PolarHBondContact O-N 3.5Å; I29-S31 VanDerWaalsContact O-N 3.08Å; S31-G33 PolarHBondContact O-N 3.31Å; S31-E60 PolarHBondContact N-OE2 3.08Å
32F98.6Very high97.5Very high0 Ų035.8 Ų35.80%022%0.218CC..EExtended strand (participates in β ladder)trans-61.4129.7178.3-178.8-91.3000111.9I29 Q30 V37 I46 E60 V61 R62 A68 L72I29-F32 HydrophobicContact CB-CB 4.04Å; I29-F32 HydrophobicContact CB-CD2 4.45Å; I29-F32 HydrophobicContact CD1-CD2 4.37Å; I29-F32 HydrophobicContact CG2-CB 4.01Å; I29-F32 HydrophobicContact CG2-CD2 3.94Å; I29-F32 HydrophobicContact CG2-CG 4.43Å; I29-F32 WeakPolarHBondContact O-CB 3.25Å; I29-F32 PolarHBondContact O-N 3Å; Q30-F32 VanDerWaalsContact C-N 3.32Å; Q30-F32 PolarHBondContact O-N 2.96Å; F32-V37 HydrophobicContact CE2-CB 4.08Å; F32-V37 HydrophobicContact CE2-CG2 4.39Å; F32-V37 HydrophobicContact CZ-CB 4.02Å; F32-V37 HydrophobicContact CZ-CG2 4.21Å; F32-I46 HydrophobicContact CD2-CD1 4.43Å; F32-I46 HydrophobicContact CE2-CG2 4.49Å; F32-E60 PolarHBondContact N-O 3.21Å; F32-V61 HydrophobicContact CD1-CB 4.32Å; F32-V61 HydrophobicContact CD1-CG1 4.06Å; F32-V61 HydrophobicContact CD1-CG2 3.97Å; F32-R62 PolarHBondContact O-N 3.3Å; F32-A68 HydrophobicContact CE1-CB 4.08Å; F32-A68 HydrophobicContact CZ-CB 4.46Å; F32-L72 HydrophobicContact CE1-CD2 4.34Å; F32-L72 HydrophobicContact CE2-CD2 4.14Å; F32-L72 HydrophobicContact CZ-CB 3.97Å; F32-L72 HydrophobicContact CZ-CD2 3.67Å; F32-L72 HydrophobicContact CZ-CG 4.3Å
33G98.4Very high97.7Very high9 Ų934.7 Ų34.79%0.09321%0.213CC..SBendtrans179.3-167.9-179.800000111.1S31 S35 K36 V37 A68S31-G33 PolarHBondContact O-N 3.31Å; G33-S35 VanDerWaalsContact C-N 3.32Å; G33-S35 PolarHBondContact O-N 2.84Å; G33-K36 PolarHBondContact O-N 2.69Å; G33-V37 PolarHBondContact O-N 2.72Å; G33-A68 VanDerWaalsContact C-CB 3.43Å
34D98.6Very high97.8Very high77 Ų7734 Ų3441%0.41222%0.217SC..Hα-helixtrans-53-45.1-170.2-74-35.6000114.5K36 S38 S67 A68D34-K36 VanDerWaalsContact C-N 3.29Å; D34-K36 PolarHBondContact O-N 3.24Å; D34-S38 WeakPolarHBondContact O-CB 3.49Å; D34-S38 PolarHBondContact O-N 2.97Å; D34-S38 PolarHBondContact O-OG 3.25Å; D34-S67 PolarHBondContact OD1-OG 3.07Å; D34-S67 PolarHBondContact OD2-OG 3.2Å; D34-A68 PolarHBondContact OD1-N 2.79Å
35S98.2Very high97.8Very high111 Ų11135 Ų3578%0.77622%0.222SC*.Hα-helixtrans-63.8-37.9-178.2-640000111.6G33 D39G33-S35 VanDerWaalsContact C-N 3.32Å; G33-S35 PolarHBondContact O-N 2.84Å; S35-D39 PolarHBondContact O-N 3.03Å
36K98.3Very high97.8Very high31 Ų3134.9 Ų34.914%0.13522%0.222CC..Hα-helixtrans-77.3-42.8-177.1-176148.8-72.7-169.40112.2I29 Q30 G33 D34 S38 D39 C42 G43 I46 A263 I264I29-K36 HydrophobicContact CG2-CD 4.06Å; Q30-K36 PolarHBondContact O-NZ 3.14Å; G33-K36 PolarHBondContact O-N 2.69Å; D34-K36 VanDerWaalsContact C-N 3.29Å; D34-K36 PolarHBondContact O-N 3.24Å; K36-S38 VanDerWaalsContact C-N 3.32Å; K36-S38 PolarHBondContact O-N 3.12Å; K36-D39 PolarHBondContact O-N 3.41Å; K36-C42 HydrophobicContact CG-CB 4.05Å; K36-C42 WeakPolarHBondContact O-CB 3.49Å; K36-G43 PolarHBondContact O-N 2.85Å; K36-I46 HydrophobicContact CD-CD1 4.29Å; K36-I46 HydrophobicContact CG-CD1 3.92Å; K36-A263 WeakPolarHBondContact CE-O 3.08Å; K36-A263 PolarHBondContact NZ-O 2.8Å; K36-I264 PolarHBondContact NZ-O 2.77Å; K36-I264 VanDerWaalsContact NZ-O 3.11Å
37V98.4Very high97.8Very high0 Ų034.9 Ų34.90%022%0.222CC..Hα-helixtrans-71.5-28.3178.873.50000112.6F32 G33 A68 T71 L72 Q75F32-V37 HydrophobicContact CE2-CB 4.08Å; F32-V37 HydrophobicContact CE2-CG2 4.39Å; F32-V37 HydrophobicContact CZ-CB 4.02Å; F32-V37 HydrophobicContact CZ-CG2 4.21Å; G33-V37 PolarHBondContact O-N 2.72Å; V37-A68 HydrophobicContact CG1-CB 3.87Å; V37-T71 HydrophobicContact CG1-CG2 4.04Å; V37-T71 HydrophobicContact CG2-CG2 3.91Å; V37-L72 HydrophobicContact CG2-CB 3.91Å; V37-Q75 PolarHBondContact O-NE2 2.85Å
38S97.8Very high97.7Very high76 Ų7639.8 Ų39.853%0.53124%0.243SC..Hα-helixtrans-80.2-21.7178.9-59.30000113.5D34 K36 P40D34-S38 WeakPolarHBondContact O-CB 3.49Å; D34-S38 PolarHBondContact O-N 2.97Å; D34-S38 PolarHBondContact O-OG 3.25Å; K36-S38 VanDerWaalsContact C-N 3.32Å; K36-S38 PolarHBondContact O-N 3.12Å; S38-P40 VanDerWaalsContact O-CD 3.24Å; S38-P40 WeakPolarHBondContact O-CD 3.36Å
39D97.9Very high97.7Very high67 Ų6739.9 Ų39.936%0.35824%0.244SC..SBendtrans-70114.8172.4178.4-0.9000109.7S35 K36 A41 C42 G43S35-D39 PolarHBondContact O-N 3.03Å; K36-D39 PolarHBondContact O-N 3.41Å; D39-A41 PolarHBondContact O-N 2.91Å; D39-A41 VanDerWaalsContact O-N 3.17Å; D39-A41 WeakPolarHBondContact OD1-CB 3.42Å; D39-A41 PolarHBondContact OD1-N 2.81Å; D39-C42 HydrophobicContact CB-CB 4.2Å; D39-C42 PolarHBondContact O-N 3.06Å; D39-C42 PolarHBondContact OD2-SG 3.18Å; D39-G43 PolarHBondContact O-N 3.48Å
40P94.4Very high97.7Very high101 Ų10139.9 Ų39.966%0.65624%0.244SC*.Hα-helixtrans-59.7-28.5-179.3-23.335.1000113.8S38 C42 S44S38-P40 VanDerWaalsContact O-CD 3.24Å; S38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-C42 VanDerWaalsContact C-N 3.33Å; P40-S44 VanDerWaalsContact O-CB 3.26Å; P40-S44 WeakPolarHBondContact O-CB 3.2Å; P40-S44 PolarHBondContact O-OG 3.16Å
41A93.9Very high97.8Very high63 Ų6337.6 Ų37.652%0.52124%0.237SC..Hα-helixtrans-71.7-29.317800000112.1D39 I45D39-A41 PolarHBondContact O-N 2.91Å; D39-A41 VanDerWaalsContact O-N 3.17Å; D39-A41 WeakPolarHBondContact OD1-CB 3.42Å; D39-A41 PolarHBondContact OD1-N 2.81Å; A41-I45 WeakPolarHBondContact O-CD1 3.33Å
42C98Very high97.9Very high4 Ų436.7 Ų36.73%0.02724%0.236CC..Hα-helixtrans-96.8-59.4179.4-610000111.5K36 D39 P40 S44 I45 I46 A263K36-C42 HydrophobicContact CG-CB 4.05Å; K36-C42 WeakPolarHBondContact O-CB 3.49Å; D39-C42 HydrophobicContact CB-CB 4.2Å; D39-C42 PolarHBondContact O-N 3.06Å; D39-C42 PolarHBondContact OD2-SG 3.18Å; P40-C42 VanDerWaalsContact C-N 3.33Å; C42-S44 VanDerWaalsContact C-N 3.34Å; C42-S44 PolarHBondContact O-N 2.7Å; C42-I45 PolarHBondContact O-N 3.12Å; C42-I45 VanDerWaalsContact O-N 3.1Å; C42-I46 HydrophobicContact CB-CD1 4.36Å; C42-I46 WeakPolarHBondContact O-CG1 3.32Å; C42-I46 PolarHBondContact O-N 3.38Å; C42-A263 PolarHBondContact SG-O 2.76Å
43G97.8Very high97.9Very high0 Ų036.9 Ų36.90%024%0.237CC..Hα-helixtrans-56.9-43-173.900000113.3K36 D39 I45 I46 A47 Q75K36-G43 PolarHBondContact O-N 2.85Å; D39-G43 PolarHBondContact O-N 3.48Å; G43-I45 VanDerWaalsContact C-N 3.31Å; G43-I45 PolarHBondContact O-N 3.32Å; G43-I46 PolarHBondContact O-N 2.84Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.15Å; G43-Q75 PolarHBondContact O-OE1 2.82Å; G43-Q75 VanDerWaalsContact O-OE1 3.08Å
44S97.5Very high97.8Very high49 Ų4937.1 Ų37.134%0.34324%0.236SC..Hα-helixtrans-67-30.9-179.677.50000113.4P40 C42 K48P40-S44 VanDerWaalsContact O-CB 3.26Å; P40-S44 WeakPolarHBondContact O-CB 3.2Å; P40-S44 PolarHBondContact O-OG 3.16Å; C42-S44 VanDerWaalsContact C-N 3.34Å; C42-S44 PolarHBondContact O-N 2.7Å; S44-K48 VanDerWaalsContact O-CG 3.27Å; S44-K48 WeakPolarHBondContact O-CG 3.42Å; S44-K48 PolarHBondContact O-N 3.13Å
45I98.5Very high97.8Very high21 Ų2133.4 Ų33.411%0.10822%0.216CC..Hα-helixtrans-78.9-44.6176.9-63.1179.2000109.7A41 C42 G43 A47 K48 I49 F254 L256 I264A41-I45 WeakPolarHBondContact O-CD1 3.33Å; C42-I45 PolarHBondContact O-N 3.12Å; C42-I45 VanDerWaalsContact O-N 3.1Å; G43-I45 VanDerWaalsContact C-N 3.31Å; G43-I45 PolarHBondContact O-N 3.32Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 2.67Å; I45-K48 WeakPolarHBondContact O-CB 3.4Å; I45-K48 PolarHBondContact O-N 3.01Å; I45-I49 HydrophobicContact CG2-CD1 3.83Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.39Å; I45-I49 PolarHBondContact O-N 2.87Å; I45-F254 HydrophobicContact CG2-CD2 3.7Å; I45-F254 HydrophobicContact CG2-CE2 3.93Å; I45-F254 HydrophobicContact CG2-CG 4.2Å; I45-L256 HydrophobicContact CD1-CD1 4.07Å; I45-L256 HydrophobicContact CD1-CD2 3.82Å; I45-I264 HydrophobicContact CB-CD1 3.97Å; I45-I264 HydrophobicContact CD1-CD1 3.88Å; I45-I264 HydrophobicContact CG2-CD1 3.59Å
46I98.8Very high97.9Very high0 Ų028.2 Ų28.20%018%0.18CC..Hα-helixtrans-54.1-46.5173.7-68.2164000110.7I29 F32 K36 C42 G43 K48 I49 L50 L72 I264I29-I46 HydrophobicContact CD1-CG1 4.42Å; I29-I46 HydrophobicContact CD1-CG2 3.61Å; I29-I46 HydrophobicContact CG2-CD1 3.87Å; I29-I46 HydrophobicContact CG2-CG1 4.46Å; F32-I46 HydrophobicContact CD2-CD1 4.43Å; F32-I46 HydrophobicContact CE2-CG2 4.49Å; K36-I46 HydrophobicContact CD-CD1 4.29Å; K36-I46 HydrophobicContact CG-CD1 3.92Å; C42-I46 HydrophobicContact CB-CD1 4.36Å; C42-I46 WeakPolarHBondContact O-CG1 3.32Å; C42-I46 PolarHBondContact O-N 3.38Å; G43-I46 PolarHBondContact O-N 2.84Å; I46-K48 VanDerWaalsContact C-N 3.34Å; I46-K48 PolarHBondContact O-N 2.76Å; I46-I49 PolarHBondContact O-N 3.26Å; I46-L50 HydrophobicContact CG2-CD1 3.85Å; I46-L50 HydrophobicContact CG2-CG 4.39Å; I46-L50 WeakPolarHBondContact O-CB 3.18Å; I46-L50 WeakPolarHBondContact O-CG 2.96Å; I46-L50 PolarHBondContact O-N 3.44Å; I46-L72 HydrophobicContact CG2-CD1 3.84Å; I46-I264 HydrophobicContact CD1-CG2 4.41Å; I46-I264 HydrophobicContact CG1-CG2 3.83Å
47A98.8Very high97.9Very high0 Ų026.8 Ų26.80%017%0.173CC..Hα-helixtrans-61.8-39.4178.100000112.6G43 I45 A51 L72 Q75 I76 V79G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.15Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 2.67Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.21Å; A47-L72 HydrophobicContact CB-CD1 4.4Å; A47-Q75 HydrophobicContact CB-CB 3.71Å; A47-I76 HydrophobicContact CB-CG1 3.97Å; A47-V79 HydrophobicContact CB-CG2 4.46Å
48K98.6Very high97.9Very high103 Ų10326.8 Ų26.845%0.44817%0.173SC..Hα-helixtrans-67.6-43.6175.9-72.2170.9-170173.80112.1S44 I45 I46 A51 G52 F254S44-K48 VanDerWaalsContact O-CG 3.27Å; S44-K48 WeakPolarHBondContact O-CG 3.42Å; S44-K48 PolarHBondContact O-N 3.13Å; I45-K48 WeakPolarHBondContact O-CB 3.4Å; I45-K48 PolarHBondContact O-N 3.01Å; I46-K48 VanDerWaalsContact C-N 3.34Å; I46-K48 PolarHBondContact O-N 2.76Å; K48-A51 PolarHBondContact O-N 3.03Å; K48-G52 PolarHBondContact O-N 3.16Å; K48-F254 HydrophobicContact CB-CE1 4.28Å; K48-F254 HydrophobicContact CB-CZ 4.06Å; K48-F254 HydrophobicContact CD-CE1 4.13Å
49I98.8Very high98Very high2 Ų223.1 Ų23.11%0.0115%0.148CC..Hα-helixtrans-56.8-51.9175.1-68.6165.9000109.4F27 I45 I46 A51 G52 Y53 F250 F254 P269F27-I49 HydrophobicContact CD1-CG2 4.1Å; F27-I49 HydrophobicContact CE1-CD1 4.03Å; F27-I49 HydrophobicContact CE1-CG2 4.02Å; F27-I49 HydrophobicContact CZ-CD1 4.39Å; I45-I49 HydrophobicContact CG2-CD1 3.83Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.39Å; I45-I49 PolarHBondContact O-N 2.87Å; I46-I49 PolarHBondContact O-N 3.26Å; I49-A51 PolarHBondContact O-N 3.3Å; I49-G52 PolarHBondContact O-N 3.46Å; I49-Y53 HydrophobicContact CG2-CE2 3.95Å; I49-Y53 WeakPolarHBondContact O-CD2 3.35Å; I49-Y53 WeakPolarHBondContact O-CE2 3.23Å; I49-F250 HydrophobicContact CD1-CB 3.63Å; I49-F250 HydrophobicContact CD1-CD1 3.95Å; I49-F250 HydrophobicContact CD1-CD2 4.35Å; I49-F250 HydrophobicContact CD1-CG 3.73Å; I49-F250 HydrophobicContact CG1-CB 4.1Å; I49-F254 HydrophobicContact CD1-CE2 4.24Å; I49-F254 HydrophobicContact CG1-CE2 3.6Å; I49-F254 HydrophobicContact CG1-CZ 4.23Å; I49-P269 HydrophobicContact CG2-CG 3.93Å
50L98.8Very high98Very high1 Ų121 Ų211%0.00514%0.136CC..Hα-helixtrans-69.2-34-176.6-66177.5000113.3F27 I46 G52 Y53 A56 V58 L72 I76F27-L50 HydrophobicContact CD1-CD2 4.43Å; I46-L50 HydrophobicContact CG2-CD1 3.85Å; I46-L50 HydrophobicContact CG2-CG 4.39Å; I46-L50 WeakPolarHBondContact O-CB 3.18Å; I46-L50 WeakPolarHBondContact O-CG 2.96Å; I46-L50 PolarHBondContact O-N 3.44Å; L50-G52 PolarHBondContact O-N 2.96Å; L50-Y53 PolarHBondContact O-N 2.92Å; L50-A56 HydrophobicContact CD2-CB 3.82Å; L50-V58 HydrophobicContact CD1-CG2 3.85Å; L50-V58 HydrophobicContact CD2-CG2 3.78Å; L50-L72 HydrophobicContact CD1-CD1 4.18Å; L50-L72 HydrophobicContact CD1-CD2 3.79Å; L50-L72 HydrophobicContact CD1-CG 4.42Å; L50-I76 HydrophobicContact CB-CD1 3.76Å; L50-I76 HydrophobicContact CB-CG1 4.36Å; L50-I76 HydrophobicContact CD1-CD1 4.03Å
51A98.3Very high98.2Very high22 Ų2216.3 Ų16.318%0.18211%0.105CC..Hα-helixtrans-65.2-14.9171.800000113.3A47 K48 I49 Y53 I76 V79 Y84A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.21Å; K48-A51 PolarHBondContact O-N 3.03Å; I49-A51 PolarHBondContact O-N 3.3Å; A51-Y53 VanDerWaalsContact C-N 3.3Å; A51-I76 HydrophobicContact CB-CG2 4.28Å; A51-V79 HydrophobicContact CB-CG2 4.05Å; A51-Y84 PolarHBondContact O-OH 3.15Å
52G97.5Very high98.4Very high34 Ų3419 Ų1935%0.35110%0.102SC..THydrogen-bonded Turntrans-77.6-10.9174.200000114.6R23 K48 I49 L50R23-G52 WeakPolarHBondContact CD-O 3.21Å; R23-G52 PolarHBondContact NH1-O 2.82Å; K48-G52 PolarHBondContact O-N 3.16Å; I49-G52 PolarHBondContact O-N 3.46Å; L50-G52 PolarHBondContact O-N 2.96Å
53Y98.4Very high98.4Very high3 Ų318.9 Ų18.91%0.01210%0.101CC..  trans-108.5149.8-180-59.2-66.8000111.8R23 I49 L50 A51 A56 Y84 H248 P269 E271R23-Y53 HydrophobicContact CG-CD1 3.9Å; R23-Y53 HydrophobicContact CG-CE1 4.31Å; I49-Y53 HydrophobicContact CG2-CE2 3.95Å; I49-Y53 WeakPolarHBondContact O-CD2 3.35Å; I49-Y53 WeakPolarHBondContact O-CE2 3.23Å; L50-Y53 PolarHBondContact O-N 2.92Å; A51-Y53 VanDerWaalsContact C-N 3.3Å; Y53-A56 HydrophobicContact CD2-CB 3.95Å; Y53-A56 HydrophobicContact CG-CB 4.21Å; Y53-Y84 VanDerWaalsContact O-CE1 3.28Å; Y53-Y84 WeakPolarHBondContact O-CE1 3.29Å; Y53-Y84 PolarHBondContact O-OH 2.75Å; Y53-H248 WeakPolarHBondContact OH-CB 3.06Å; Y53-H248 PolarHBondContact OH-ND1 3.28Å; Y53-P269 WeakPolarHBondContact OH-CB 3.38Å; Y53-E271 HydrophobicContact CE1-CB 3.75Å; Y53-E271 WeakPolarHBondContact CE1-OE2 3.01Å; Y53-E271 PolarHBondContact OH-OE2 2.93Å
54D97.6Very high98.4Very high14 Ų1423.8 Ų23.88%0.07513%0.133CC..SBendtrans-80.1-30168.8-61.7-70.9000111.5L22 R23 Y105 R106 A109L22-D54 WeakPolarHBondContact CA-OD2 3.08Å; L22-D54 HydrophobicContact CD1-CB 3.35Å; L22-D54 HydrophobicContact CG-CB 4.18Å; R23-D54 PolarHBondContact N-OD2 3.17Å; R23-D54 PolarHBondContact O-N 3.1Å; D54-Y105 WeakPolarHBondContact O-CA 3.35Å; D54-R106 PolarHBondContact O-N 3.19Å; D54-R106 IonicContact OD1-CZ 3Å; D54-R106 IonicContact OD1-NE 3.16Å; D54-R106 IonicContact OD1-NH1 3.16Å; D54-R106 PolarHBondContact OD1-NH1 3.14Å; D54-R106 VanDerWaalsContact OD1-NH1 3.16Å; D54-R106 IonicContact OD1-NH2 2.7Å; D54-R106 PolarHBondContact OD1-NH2 3.47Å; D54-A109 HydrophobicContact CB-CB 3.96Å
55L98.3Very high98.4Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-149.5122.1178.8171.758.7000109R23 I24 G25 F103 V104 V110 F134 L145R23-L55 PolarHBondContact O-N 3.01Å; I24-L55 CarbonylContact C-O 3.57Å; I24-L55 WeakPolarHBondContact CA-O 3.25Å; I24-L55 HydrophobicContact CG1-CB 4.44Å; I24-L55 HydrophobicContact CG2-CG 4.46Å; G25-L55 PolarHBondContact N-O 2.88Å; L55-F103 HydrophobicContact CD1-CB 4.44Å; L55-F103 HydrophobicContact CD1-CD1 4.14Å; L55-V104 CarbonylContact C-O 3.56Å; L55-V104 WeakPolarHBondContact CA-O 3.39Å; L55-V110 HydrophobicContact CB-CG2 4.49Å; L55-F134 HydrophobicContact CD1-CD1 4.36Å; L55-F134 HydrophobicContact CD1-CE1 3.7Å; L55-F134 HydrophobicContact CD1-CE2 3.86Å; L55-F134 HydrophobicContact CD1-CZ 3.41Å; L55-F134 VanDerWaalsContact CD1-CZ 3.41Å; L55-F134 HydrophobicContact CD2-CD1 4.32Å; L55-F134 HydrophobicContact CD2-CD2 3.8Å; L55-F134 HydrophobicContact CD2-CE1 4.41Å; L55-F134 HydrophobicContact CD2-CE2 3.87Å; L55-F134 HydrophobicContact CD2-CG 4.02Å; L55-F134 HydrophobicContact CD2-CZ 4.19Å; L55-F134 HydrophobicContact CG-CE2 4.49Å; L55-F134 HydrophobicContact CG-CZ 4.45Å; L55-L145 HydrophobicContact CD1-CD2 4.4Å; L55-L145 HydrophobicContact CD2-CD1 3.94Å; L55-L145 HydrophobicContact CD2-CD2 3.5Å; L55-L145 VanDerWaalsContact CD2-CD2 3.5Å; L55-L145 HydrophobicContact CD2-CG 4.38Å; L55-L145 HydrophobicContact CG-CD2 3.83Å
56A98.9Very high98.4Very high2 Ų228.8 Ų28.82%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-130135.2-179.800000111.3G25 L50 Y53 F103 V104G25-A56 CarbonylContact O-C 3.14Å; G25-A56 VanDerWaalsContact O-CA 3.32Å; G25-A56 WeakPolarHBondContact O-CA 3.19Å; L50-A56 HydrophobicContact CD2-CB 3.82Å; Y53-A56 HydrophobicContact CD2-CB 3.95Å; Y53-A56 HydrophobicContact CG-CB 4.21Å; A56-F103 CarbonylContact O-C 3.55Å; A56-F103 WeakPolarHBondContact O-CA 3.45Å; A56-V104 PolarHBondContact N-O 3.11Å; A56-V104 PolarHBondContact O-N 3.02Å
57L98.9Very high98.4Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-83.8132.9161.9171.465.1000109.1G25 A26 F27 Q59 Y101 L102 F103 P147 L181G25-L57 PolarHBondContact O-N 2.54Å; A26-L57 CarbonylContact C-O 3.6Å; A26-L57 WeakPolarHBondContact CA-O 3.46Å; A26-L57 HydrophobicContact CB-CB 4.09Å; A26-L57 HydrophobicContact CB-CD2 4.1Å; A26-L57 HydrophobicContact CB-CG 4.48Å; F27-L57 PolarHBondContact N-O 3.09Å; L57-Q59 HydrophobicContact CD1-CG 4.23Å; L57-Q59 HydrophobicContact CD2-CG 3.95Å; L57-Q59 HydrophobicContact CG-CG 3.88Å; L57-Y101 HydrophobicContact CD1-CD1 4.13Å; L57-L102 CarbonylContact C-O 3.6Å; L57-F103 HydrophobicContact CB-CD1 4.13Å; L57-F103 HydrophobicContact CB-CE1 3.78Å; L57-F103 HydrophobicContact CB-CZ 4.49Å; L57-F103 HydrophobicContact CD1-CD1 4.36Å; L57-F103 HydrophobicContact CD1-CE1 3.95Å; L57-F103 HydrophobicContact CD1-CE2 4.22Å; L57-F103 HydrophobicContact CD1-CZ 3.89Å; L57-F103 HydrophobicContact CG-CE1 4.37Å; L57-P147 HydrophobicContact CD1-CB 3.65Å; L57-P147 HydrophobicContact CD1-CG 4.48Å; L57-P147 HydrophobicContact CD2-CB 3.49Å; L57-P147 VanDerWaalsContact CD2-CB 3.49Å; L57-P147 HydrophobicContact CG-CB 4.22Å; L57-L181 HydrophobicContact CB-CD1 4.28Å; L57-L181 HydrophobicContact CB-CG 4.37Å; L57-L181 HydrophobicContact CD2-CD2 4.38Å; L57-L181 HydrophobicContact CD2-CG 3.91Å; L57-L181 VanDerWaalsContact CD2-O 3.31Å; L57-L181 WeakPolarHBondContact CD2-O 3.32Å
58V98.9Very high98.4Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-116.9132.5168.6-176.80000108.6F27 I29 L50 V61 L102 V104F27-V58 WeakPolarHBondContact O-CA 3.2Å; I29-V58 HydrophobicContact CB-CG1 4.43Å; I29-V58 HydrophobicContact CD1-CG1 3.62Å; I29-V58 HydrophobicContact CD1-CG2 4.48Å; I29-V58 HydrophobicContact CG1-CG1 3.98Å; L50-V58 HydrophobicContact CD1-CG2 3.85Å; L50-V58 HydrophobicContact CD2-CG2 3.78Å; V58-V61 HydrophobicContact CB-CG2 4.32Å; V58-V61 HydrophobicContact CG1-CG2 3.75Å; V58-L102 HydrophobicContact CB-CB 4.18Å; V58-L102 HydrophobicContact CB-CD2 4.27Å; V58-L102 HydrophobicContact CG2-CD2 4.48Å; V58-L102 PolarHBondContact N-O 2.93Å; V58-L102 PolarHBondContact O-N 2.68Å; V58-V104 HydrophobicContact CG2-CG2 4.45Å
59Q98.9Very high98.4Very high0 Ų025.7 Ų25.70%015%0.147CC..EExtended strand (participates in β ladder)trans-118.1170.6-179.6-54.8173.8-69.600110.4F27 N28 I29 L57 V61 Y101 L148 H149F27-Q59 PolarHBondContact O-N 3.31Å; N28-Q59 HydrophobicContact CB-CB 4.38Å; I29-Q59 PolarHBondContact N-O 3.37Å; L57-Q59 HydrophobicContact CD1-CG 4.23Å; L57-Q59 HydrophobicContact CD2-CG 3.95Å; L57-Q59 HydrophobicContact CG-CG 3.88Å; Q59-V61 PolarHBondContact O-N 3.18Å; Q59-Y101 HydrophobicContact CG-CD1 4.11Å; Q59-Y101 HydrophobicContact CG-CE1 4.23Å; Q59-L148 PolarHBondContact NE2-O 2.75Å; Q59-H149 HydrophobicContact CB-CB 4.4Å
60E98.6Very high98.4Very high23 Ų2328.4 Ų28.411%0.10717%0.167CC..EExtended strand (participates in β ladder)trans58.327.7-171.8-68.3-160.2-155.200114.9N28 I29 Q30 S31 F32 R62 E99 H149N28-E60 PolarHBondContact ND2-OE1 3.42Å; N28-E60 WeakPolarHBondContact OD1-CB 3.49Å; N28-E60 WeakPolarHBondContact OD1-CG 3.49Å; N28-E60 PolarHBondContact OD1-OE1 2.91Å; I29-E60 WeakPolarHBondContact O-CB 3.38Å; Q30-E60 WeakPolarHBondContact CA-OE2 3.37Å; S31-E60 PolarHBondContact N-OE2 3.08Å; F32-E60 PolarHBondContact N-O 3.21Å; E60-R62 PolarHBondContact O-N 2.93Å; E60-E99 WeakPolarHBondContact CG-OE1 3.23Å; E60-H149 VanDerWaalsContact CG-CE1 3.49Å; E60-H149 WeakPolarHBondContact CG-CE1 3.24Å; E60-H149 IonicContact OE1-CE1 3.78Å; E60-H149 IonicContact OE1-NE2 3.41Å
61V98.8Very high98.4Very high1 Ų130.4 Ų30.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-73.6116.2175178.60000109.7F32 V58 Q59 D63 V69 E99 M100 L102F32-V61 HydrophobicContact CD1-CB 4.32Å; F32-V61 HydrophobicContact CD1-CG1 4.06Å; F32-V61 HydrophobicContact CD1-CG2 3.97Å; V58-V61 HydrophobicContact CB-CG2 4.32Å; V58-V61 HydrophobicContact CG1-CG2 3.75Å; Q59-V61 PolarHBondContact O-N 3.18Å; V61-D63 HydrophobicContact CG1-CB 3.9Å; V61-V69 HydrophobicContact CG1-CG2 4.05Å; V61-E99 CarbonylContact O-C 3.42Å; V61-E99 VanDerWaalsContact O-CA 3.32Å; V61-E99 WeakPolarHBondContact O-CA 3.41Å; V61-M100 HydrophobicContact CB-CB 4.05Å; V61-M100 WeakPolarHBondContact CB-O 3.41Å; V61-M100 HydrophobicContact CG1-CB 4.19Å; V61-M100 PolarHBondContact O-N 3.24Å; V61-L102 HydrophobicContact CG2-CB 3.92Å; V61-L102 HydrophobicContact CG2-CD2 4.39Å
62R97.9Very high98.4Very high119 Ų11929.4 Ų29.445%0.44917%0.17SC..  trans-114.669-179.8-62.3-179.164.9-159.1-3.6109.8F32 E60 Y97 E99F32-R62 PolarHBondContact O-N 3.3Å; E60-R62 PolarHBondContact O-N 2.93Å; R62-Y97 VanDerWaalsContact CZ-CE2 3.42Å; R62-E99 HydrophobicContact CG-CG 4.27Å
63D98.2Very high98.5Very high3 Ų328.5 Ų28.52%0.01616%0.157CC..  trans-146.467.9-167.8-174.832000112.1V61 D65 L66 S67 A68 V69 M100V61-D63 HydrophobicContact CG1-CB 3.9Å; D63-D65 PolarHBondContact O-N 3.24Å; D63-D65 VanDerWaalsContact OD1-OD1 3.09Å; D63-L66 PolarHBondContact O-N 2.88Å; D63-L66 VanDerWaalsContact O-N 3.09Å; D63-L66 PolarHBondContact OD1-N 2.85Å; D63-L66 WeakPolarHBondContact OD2-CA 3.28Å; D63-S67 PolarHBondContact OD1-N 2.89Å; D63-S67 VanDerWaalsContact OD1-N 3.12Å; D63-S67 PolarHBondContact OD1-OG 2.78Å; D63-S67 PolarHBondContact OD2-N 2.98Å; D63-A68 HydrophobicContact CB-CB 4.07Å; D63-A68 VanDerWaalsContact CG-CB 3.48Å; D63-A68 VanDerWaalsContact CG-N 3.34Å; D63-A68 PolarHBondContact OD1-N 2.76Å; D63-A68 WeakPolarHBondContact OD2-CA 3.36Å; D63-A68 WeakPolarHBondContact OD2-CB 3.43Å; D63-A68 PolarHBondContact OD2-N 2.68Å; D63-V69 WeakPolarHBondContact OD2-CG2 3.35Å; D63-V69 PolarHBondContact OD2-N 3.44Å; D63-M100 VanDerWaalsContact O-SD 3.37Å
64P96.6Very high98.5Very high103 Ų10333.5 Ų33.567%0.66918%0.181SC*.THydrogen-bonded Turntrans-66.1-19.3-172.428-36000114.1P91P64-P91 HydrophobicContact CB-CG 3.98Å
65D98Very high98.5Very high116 Ų11634.4 Ų34.462%0.6219%0.185SC*.THydrogen-bonded Turntrans-992.3176.668.98.7000113.7D63 S67D63-D65 PolarHBondContact O-N 3.24Å; D63-D65 VanDerWaalsContact OD1-OD1 3.09Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 2.76Å; D65-S67 VanDerWaalsContact OD1-N 3.11Å; D65-S67 PolarHBondContact OD1-OG 2.87Å
66L98.5Very high98.5Very high58 Ų5834.4 Ų34.430%0.30419%0.185SC..SBendtrans6218178.3-59175.6000114.8D63 V69 S70 F86 M100D63-L66 PolarHBondContact O-N 2.88Å; D63-L66 VanDerWaalsContact O-N 3.09Å; D63-L66 PolarHBondContact OD1-N 2.85Å; D63-L66 WeakPolarHBondContact OD2-CA 3.28Å; L66-V69 HydrophobicContact CB-CB 4.47Å; L66-V69 HydrophobicContact CD2-CB 4.24Å; L66-V69 HydrophobicContact CD2-CG2 4.1Å; L66-S70 WeakPolarHBondContact O-CB 3.31Å; L66-S70 PolarHBondContact O-N 2.82Å; L66-F86 HydrophobicContact CD1-CE2 4.29Å; L66-F86 HydrophobicContact CD1-CZ 4.43Å; L66-F86 HydrophobicContact CD2-CE2 4.46Å; L66-M100 HydrophobicContact CD2-CE 3.61Å
67S98.6Very high98.5Very high39 Ų3937.1 Ų37.127%0.27320%0.199SC..Hα-helixtrans-69.9-40.9-178.9570000112.1D34 D63 D65 S70 T71D34-S67 PolarHBondContact OD1-OG 3.07Å; D34-S67 PolarHBondContact OD2-OG 3.2Å; D63-S67 PolarHBondContact OD1-N 2.89Å; D63-S67 VanDerWaalsContact OD1-N 3.12Å; D63-S67 PolarHBondContact OD1-OG 2.78Å; D63-S67 PolarHBondContact OD2-N 2.98Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 2.76Å; D65-S67 VanDerWaalsContact OD1-N 3.11Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; S67-S70 PolarHBondContact O-N 3.46Å; S67-T71 PolarHBondContact O-N 3.43Å; S67-T71 VanDerWaalsContact O-N 3.09Å; S67-T71 PolarHBondContact O-OG1 3.47Å
68A98.7Very high98.5Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-68.3-41.5174.700000111.9F32 G33 D34 V37 D63 T71 L72F32-A68 HydrophobicContact CE1-CB 4.08Å; F32-A68 HydrophobicContact CZ-CB 4.46Å; G33-A68 VanDerWaalsContact C-CB 3.43Å; D34-A68 PolarHBondContact OD1-N 2.79Å; V37-A68 HydrophobicContact CG1-CB 3.87Å; D63-A68 HydrophobicContact CB-CB 4.07Å; D63-A68 VanDerWaalsContact CG-CB 3.48Å; D63-A68 VanDerWaalsContact CG-N 3.34Å; D63-A68 PolarHBondContact OD1-N 2.76Å; D63-A68 WeakPolarHBondContact OD2-CA 3.36Å; D63-A68 WeakPolarHBondContact OD2-CB 3.43Å; D63-A68 PolarHBondContact OD2-N 2.68Å; A68-T71 PolarHBondContact O-N 2.91Å; A68-L72 WeakPolarHBondContact O-CB 3.37Å; A68-L72 PolarHBondContact O-N 3.32Å
69V98.8Very high98.4Very high0 Ų049.1 Ų49.10%025%0.252CS..Hα-helixtrans-61.5-45.7175.5173.80000110.3V61 D63 L66 T71 L72 M73 F86 L102V61-V69 HydrophobicContact CG1-CG2 4.05Å; D63-V69 WeakPolarHBondContact OD2-CG2 3.35Å; D63-V69 PolarHBondContact OD2-N 3.44Å; L66-V69 HydrophobicContact CB-CB 4.47Å; L66-V69 HydrophobicContact CD2-CB 4.24Å; L66-V69 HydrophobicContact CD2-CG2 4.1Å; V69-T71 VanDerWaalsContact C-N 3.31Å; V69-T71 PolarHBondContact O-N 3.14Å; V69-L72 WeakPolarHBondContact O-CB 3.33Å; V69-L72 PolarHBondContact O-N 3.24Å; V69-M73 HydrophobicContact CG1-CG 4.38Å; V69-M73 VanDerWaalsContact O-CG 3.3Å; V69-M73 WeakPolarHBondContact O-CG 3.17Å; V69-M73 PolarHBondContact O-N 2.85Å; V69-F86 HydrophobicContact CG1-CD1 4.07Å; V69-F86 HydrophobicContact CG1-CD2 3.79Å; V69-F86 HydrophobicContact CG1-CE1 3.97Å; V69-F86 HydrophobicContact CG1-CE2 3.7Å; V69-F86 HydrophobicContact CG1-CG 3.96Å; V69-F86 HydrophobicContact CG1-CZ 3.78Å; V69-L102 HydrophobicContact CG1-CD1 3.82Å; V69-L102 HydrophobicContact CG1-CD2 4.21Å; V69-L102 HydrophobicContact CG2-CD1 4.24Å; V69-L102 HydrophobicContact CG2-CD2 3.96Å
70S98.7Very high98.3Very high59 Ų5950.3 Ų50.341%0.41326%0.26SS..Hα-helixtrans-57.2-46.3175.9-172.90000111.3L66 S67 L72 M73 E74L66-S70 WeakPolarHBondContact O-CB 3.31Å; L66-S70 PolarHBondContact O-N 2.82Å; S67-S70 PolarHBondContact O-N 3.46Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 2.65Å; S70-M73 PolarHBondContact O-N 2.93Å; S70-E74 PolarHBondContact O-N 2.8Å
71T98.8Very high98.2Very high43 Ų4358.4 Ų58.426%0.26430%0.298SS..Hα-helixtrans-62.1-41.8177.8-570000111.6V37 S67 A68 V69 E74 Q75V37-T71 HydrophobicContact CG1-CG2 4.04Å; V37-T71 HydrophobicContact CG2-CG2 3.91Å; S67-T71 PolarHBondContact O-N 3.43Å; S67-T71 VanDerWaalsContact O-N 3.09Å; S67-T71 PolarHBondContact O-OG1 3.47Å; A68-T71 PolarHBondContact O-N 2.91Å; V69-T71 VanDerWaalsContact C-N 3.31Å; V69-T71 PolarHBondContact O-N 3.14Å; T71-E74 PolarHBondContact O-N 3.03Å; T71-Q75 WeakPolarHBondContact O-CG 3.42Å; T71-Q75 PolarHBondContact O-N 3.36Å
72L98.8Very high98Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-62.1-44.8176.417662.2000111.6F32 V37 I46 A47 L50 A68 V69 S70 E74 Q75 I76 L102F32-L72 HydrophobicContact CE1-CD2 4.34Å; F32-L72 HydrophobicContact CE2-CD2 4.14Å; F32-L72 HydrophobicContact CZ-CB 3.97Å; F32-L72 HydrophobicContact CZ-CD2 3.67Å; F32-L72 HydrophobicContact CZ-CG 4.3Å; V37-L72 HydrophobicContact CG2-CB 3.91Å; I46-L72 HydrophobicContact CG2-CD1 3.84Å; A47-L72 HydrophobicContact CB-CD1 4.4Å; L50-L72 HydrophobicContact CD1-CD1 4.18Å; L50-L72 HydrophobicContact CD1-CD2 3.79Å; L50-L72 HydrophobicContact CD1-CG 4.42Å; A68-L72 WeakPolarHBondContact O-CB 3.37Å; A68-L72 PolarHBondContact O-N 3.32Å; V69-L72 WeakPolarHBondContact O-CB 3.33Å; V69-L72 PolarHBondContact O-N 3.24Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 2.65Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 2.88Å; L72-Q75 PolarHBondContact O-N 3.35Å; L72-Q75 VanDerWaalsContact O-N 3.1Å; L72-I76 HydrophobicContact CD1-CD1 3.94Å; L72-I76 HydrophobicContact CD1-CG1 4.07Å; L72-I76 HydrophobicContact CD2-CD1 4.39Å; L72-I76 HydrophobicContact CG-CD1 3.81Å; L72-I76 HydrophobicContact CG-CG1 4.34Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.06Å; L72-L102 HydrophobicContact CD2-CD2 4.35Å
73M98.8Very high98Very high15 Ų1561.1 Ų61.17%0.07432%0.316CS..Hα-helixtrans-62.5-38.4178.6-66.9-52.4-55.600112.2V69 S70 Q75 N77 Y84 F86 V104V69-M73 HydrophobicContact CG1-CG 4.38Å; V69-M73 VanDerWaalsContact O-CG 3.3Å; V69-M73 WeakPolarHBondContact O-CG 3.17Å; V69-M73 PolarHBondContact O-N 2.85Å; S70-M73 PolarHBondContact O-N 2.93Å; M73-Q75 VanDerWaalsContact C-N 3.34Å; M73-N77 VanDerWaalsContact O-CB 3.27Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 3.06Å; M73-N77 PolarHBondContact O-ND2 3.27Å; M73-Y84 VanDerWaalsContact CE-O 3.24Å; M73-Y84 WeakPolarHBondContact CE-O 3.5Å; M73-F86 HydrophobicContact CE-CD1 4.46Å; M73-F86 HydrophobicContact CG-CD1 3.58Å; M73-F86 HydrophobicContact CG-CE1 4.07Å; M73-F86 HydrophobicContact CG-CG 4.41Å; M73-F86 HydrophobicContact SD-CB 4.02Å; M73-F86 HydrophobicContact SD-CD1 3.98Å; M73-F86 HydrophobicContact SD-CG 4.37Å; M73-V104 HydrophobicContact CE-CG1 4.41Å; M73-V104 HydrophobicContact SD-CG1 4.11Å; M73-V104 HydrophobicContact SD-CG2 4.27Å
74E98.6Very high98Very high109 Ų10961.5 Ų61.551%0.50932%0.317SS..Hα-helixtrans-62.6-41.3172.4-71.5-179.4-169.300112.1S70 T71 L72 R78S70-E74 PolarHBondContact O-N 2.8Å; T71-E74 PolarHBondContact O-N 3.03Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 2.88Å; E74-R78 VanDerWaalsContact O-CB 3.28Å; E74-R78 WeakPolarHBondContact O-CB 3.46Å; E74-R78 PolarHBondContact O-N 3.43Å
75Q98.7Very high98.1Very high33 Ų3358.2 Ų58.215%0.15430%0.297CS..Hα-helixtrans-67.3-45.3178.4-68.717914.600111.8V37 G43 A47 T71 L72 M73 R78 V79V37-Q75 PolarHBondContact O-NE2 2.85Å; G43-Q75 PolarHBondContact O-OE1 2.82Å; G43-Q75 VanDerWaalsContact O-OE1 3.08Å; A47-Q75 HydrophobicContact CB-CB 3.71Å; T71-Q75 WeakPolarHBondContact O-CG 3.42Å; T71-Q75 PolarHBondContact O-N 3.36Å; L72-Q75 PolarHBondContact O-N 3.35Å; L72-Q75 VanDerWaalsContact O-N 3.1Å; M73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-R78 WeakPolarHBondContact O-CB 3.47Å; Q75-R78 PolarHBondContact O-N 2.98Å; Q75-V79 PolarHBondContact O-N 2.92Å
76I98.7Very high98.2Very high0 Ų055.7 Ų55.70%028%0.28CS..Hα-helixtrans-59.6-50.4176.4-68.2172.9000110.3A47 L50 A51 L72 R78 V79 S80 Y84 V104A47-I76 HydrophobicContact CB-CG1 3.97Å; L50-I76 HydrophobicContact CB-CD1 3.76Å; L50-I76 HydrophobicContact CB-CG1 4.36Å; L50-I76 HydrophobicContact CD1-CD1 4.03Å; A51-I76 HydrophobicContact CB-CG2 4.28Å; L72-I76 HydrophobicContact CD1-CD1 3.94Å; L72-I76 HydrophobicContact CD1-CG1 4.07Å; L72-I76 HydrophobicContact CD2-CD1 4.39Å; L72-I76 HydrophobicContact CG-CD1 3.81Å; L72-I76 HydrophobicContact CG-CG1 4.34Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.06Å; I76-R78 PolarHBondContact O-N 3.22Å; I76-V79 WeakPolarHBondContact O-CG2 3.15Å; I76-V79 PolarHBondContact O-N 3.18Å; I76-V79 VanDerWaalsContact O-N 3.14Å; I76-S80 WeakPolarHBondContact O-CB 3.24Å; I76-S80 PolarHBondContact O-N 2.93Å; I76-Y84 HydrophobicContact CG2-CD1 4.05Å; I76-Y84 HydrophobicContact CG2-CD2 3.62Å; I76-Y84 HydrophobicContact CG2-CE2 4.17Å; I76-Y84 HydrophobicContact CG2-CG 3.56Å; I76-V104 HydrophobicContact CD1-CG1 3.86Å
77N98.4Very high98.2Very high59 Ų5954.3 Ų54.332%0.31627%0.274SS..Hα-helixtrans-67.9-15.5-179.9-75.6-49000113.6M73 E83 Y84M73-N77 VanDerWaalsContact O-CB 3.27Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 3.06Å; M73-N77 PolarHBondContact O-ND2 3.27Å; N77-E83 WeakPolarHBondContact OD1-CA 3.38Å; N77-Y84 PolarHBondContact ND2-O 3.49Å; N77-Y84 PolarHBondContact OD1-N 2.85Å
78R97.9Very high98.2Very high177 Ų17753.8 Ų53.867%0.66827%0.271SS*.Hα-helixtrans-83-32.6173.2-173.7-177.8-61.4131.24.9112.6E74 Q75 I76E74-R78 VanDerWaalsContact O-CB 3.28Å; E74-R78 WeakPolarHBondContact O-CB 3.46Å; E74-R78 PolarHBondContact O-N 3.43Å; Q75-R78 WeakPolarHBondContact O-CB 3.47Å; Q75-R78 PolarHBondContact O-N 2.98Å; I76-R78 PolarHBondContact O-N 3.22Å
79V97.3Very high98.2Very high74 Ų7454 Ų5445%0.44827%0.272SS..Hα-helixtrans-96.9-18.8-176.9-58.30000113.4A47 A51 Q75 I76A47-V79 HydrophobicContact CB-CG2 4.46Å; A51-V79 HydrophobicContact CB-CG2 4.05Å; Q75-V79 PolarHBondContact O-N 2.92Å; I76-V79 WeakPolarHBondContact O-CG2 3.15Å; I76-V79 PolarHBondContact O-N 3.18Å; I76-V79 VanDerWaalsContact O-N 3.14Å
80S96.7Very high98.2Very high25 Ų2561 Ų6118%0.17530%0.304CS..  trans-92.1150.3178.8-165.60000112.7I76 H82 Y84I76-S80 WeakPolarHBondContact O-CB 3.24Å; I76-S80 PolarHBondContact O-N 2.93Å; S80-H82 PolarHBondContact OG-N 3.32Å; S80-H82 VanDerWaalsContact OG-N 3.15Å; S80-Y84 WeakPolarHBondContact OG-CE2 3.46Å
81E95.8Very high98.1Very high194 Ų19460.6 Ų60.691%0.90730%0.3SS*.SBendtrans-78.1-11166.9-61.4-174.8165.200112.4
82H96Very high98.1Very high65 Ų6559.2 Ų59.230%0.30129%0.291SS..SBendtrans-111.5156.8-178.6-56.7-93.7000111.9S80 Y84 R106 D108S80-H82 PolarHBondContact OG-N 3.32Å; S80-H82 VanDerWaalsContact OG-N 3.15Å; H82-Y84 HydrophobicContact CB-CE2 4.13Å; H82-R106 VanDerWaalsContact CB-CD 3.41Å; H82-R106 HydrophobicContact CB-CG 3.41Å; H82-R106 VanDerWaalsContact CB-CG 3.41Å; H82-R106 PolarHBondContact CE1-NH1 3.32Å; H82-R106 VanDerWaalsContact CE1-NH1 3.32Å; H82-R106 PolarHBondContact NE2-NH1 3.19Å; H82-R106 VanDerWaalsContact NE2-NH1 3.12Å; H82-D108 IonicContact CE1-OD2 3.57Å; H82-D108 IonicContact CG-OD2 2.84Å; H82-D108 IonicContact ND1-OD1 3.58Å; H82-D108 IonicContact ND1-OD2 3.73Å; H82-D108 PolarHBondContact ND1-OD2 2.88Å
83E97.9Very high98Very high112 Ų11260 Ų6052%0.52330%0.299SS..  trans-88.1126.4174.7-161.5-168.8167.900110.7N77 K107N77-E83 WeakPolarHBondContact OD1-CA 3.38Å; E83-K107 HydrophobicContact CB-CD 4.12Å; E83-K107 VanDerWaalsContact CD-CD 3.46Å; E83-K107 HydrophobicContact CG-CD 3.75Å; E83-K107 PolarHBondContact O-N 2.86Å; E83-K107 IonicContact OE1-NZ 2.79Å; E83-K107 PolarHBondContact OE1-NZ 2.81Å; E83-K107 IonicContact OE2-NZ 3.45Å; E83-K107 PolarHBondContact OE2-NZ 2.86Å
84Y98.7Very high97.7Very high10 Ų1064.3 Ų64.34%0.03932%0.315CS..EExtended strand (participates in β ladder)trans-105.5146.4177-76.9-104.6000111.4A51 Y53 M73 I76 N77 S80 H82 V104 Y105 R106A51-Y84 PolarHBondContact O-OH 3.15Å; Y53-Y84 VanDerWaalsContact O-CE1 3.28Å; Y53-Y84 WeakPolarHBondContact O-CE1 3.29Å; Y53-Y84 PolarHBondContact O-OH 2.75Å; M73-Y84 VanDerWaalsContact CE-O 3.24Å; M73-Y84 WeakPolarHBondContact CE-O 3.5Å; I76-Y84 HydrophobicContact CG2-CD1 4.05Å; I76-Y84 HydrophobicContact CG2-CD2 3.62Å; I76-Y84 HydrophobicContact CG2-CE2 4.17Å; I76-Y84 HydrophobicContact CG2-CG 3.56Å; N77-Y84 PolarHBondContact ND2-O 3.49Å; N77-Y84 PolarHBondContact OD1-N 2.85Å; S80-Y84 WeakPolarHBondContact OG-CE2 3.46Å; H82-Y84 HydrophobicContact CB-CE2 4.13Å; Y84-V104 HydrophobicContact CD1-CG1 3.78Å; Y84-Y105 CarbonylContact C-O 3.56Å; Y84-Y105 VanDerWaalsContact CA-O 3.31Å; Y84-Y105 WeakPolarHBondContact CA-O 3.3Å; Y84-R106 HydrophobicContact CD1-CB 4.37Å; Y84-R106 HydrophobicContact CD2-CG 4.29Å; Y84-R106 HydrophobicContact CE1-CB 3.99Å; Y84-R106 HydrophobicContact CE1-CG 4.34Å; Y84-R106 HydrophobicContact CE2-CB 4.34Å; Y84-R106 HydrophobicContact CE2-CG 3.79Å
85S98.6Very high97.3Very high35 Ų3564.1 Ų64.125%0.24532%0.317CS..EExtended strand (participates in β ladder)trans-129.4175.1170.8-173.70000109.2Y105S85-Y105 PolarHBondContact N-O 3.23Å; S85-Y105 PolarHBondContact O-N 3.01Å; S85-Y105 PolarHBondContact OG-OH 2.88Å
86F98.8Very high96.8Very high63 Ų6371.9 Ų71.928%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-139.1167.3177.772.6-84000112.8L66 V69 M73 L102 F103 Y105L66-F86 HydrophobicContact CD1-CE2 4.29Å; L66-F86 HydrophobicContact CD1-CZ 4.43Å; L66-F86 HydrophobicContact CD2-CE2 4.46Å; V69-F86 HydrophobicContact CG1-CD1 4.07Å; V69-F86 HydrophobicContact CG1-CD2 3.79Å; V69-F86 HydrophobicContact CG1-CE1 3.97Å; V69-F86 HydrophobicContact CG1-CE2 3.7Å; V69-F86 HydrophobicContact CG1-CG 3.96Å; V69-F86 HydrophobicContact CG1-CZ 3.78Å; M73-F86 HydrophobicContact CE-CD1 4.46Å; M73-F86 HydrophobicContact CG-CD1 3.58Å; M73-F86 HydrophobicContact CG-CE1 4.07Å; M73-F86 HydrophobicContact CG-CG 4.41Å; M73-F86 HydrophobicContact SD-CB 4.02Å; M73-F86 HydrophobicContact SD-CD1 3.98Å; M73-F86 HydrophobicContact SD-CG 4.37Å; F86-L102 HydrophobicContact CB-CD1 3.78Å; F86-L102 HydrophobicContact CD2-CD1 3.51Å; F86-L102 HydrophobicContact CE2-CD1 4.42Å; F86-L102 HydrophobicContact CG-CD1 3.94Å; F86-F103 CarbonylContact C-O 3.5Å; F86-F103 WeakPolarHBondContact CA-O 3.43Å; F86-F103 WeakPolarHBondContact CB-O 3.37Å; F86-Y105 VanDerWaalsContact C-CE1 3.49Å
87V98.9Very high96.4Very high29 Ų2975.9 Ų75.918%0.17637%0.369CS..EExtended strand (participates in β ladder)trans-144.3138.9164.163.70000107.9F103 Y105 V112 T115 F130 V132V87-F103 HydrophobicContact CG1-CB 3.86Å; V87-F103 PolarHBondContact N-O 3.16Å; V87-F103 PolarHBondContact O-N 3.28Å; V87-Y105 HydrophobicContact CB-CE1 4.49Å; V87-Y105 HydrophobicContact CG1-CE1 4.32Å; V87-V112 HydrophobicContact CB-CG2 4.27Å; V87-V112 HydrophobicContact CG1-CG2 3.85Å; V87-T115 HydrophobicContact CG2-CG2 4.1Å; V87-F130 HydrophobicContact CG1-CE1 4.43Å; V87-F130 HydrophobicContact CG2-CE1 4.2Å; V87-F130 HydrophobicContact CG2-CZ 3.98Å; V87-V132 HydrophobicContact CG1-CG1 4.23Å; V87-V132 HydrophobicContact CG1-CG2 4.33Å
88S98.8Very high96.4Very high28 Ų2876.8 Ų76.820%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-129.5157.5-176.2670000112.3Y101 F130S88-Y101 CarbonylContact C-O 3.56Å; S88-Y101 WeakPolarHBondContact CA-O 3.36Å; S88-F130 VanDerWaalsContact C-CE1 3.46Å; S88-F130 WeakPolarHBondContact O-CZ 3.24Å
89S98.8Very high96.4Very high3 Ų368.8 Ų68.82%0.02134%0.34CS..  trans-72.5177.6167.171.40000111.1M100 Y101S89-M100 WeakPolarHBondContact O-CE 3.2Å; S89-M100 WeakPolarHBondContact OG-CA 3.5Å; S89-Y101 PolarHBondContact N-O 2.98Å; S89-Y101 PolarHBondContact OG-N 3.07Å
90Q97.8Very high96.5Very high147 Ų14765.8 Ų65.869%0.68732%0.322SS*.  trans-75170.3157.6-64.2-61.7-45.800109.8L92Q90-L92 WeakPolarHBondContact O-CG 3.24Å; Q90-L92 PolarHBondContact O-N 3.24Å
91P98.3Very high96.6Very high51 Ų5164.8 Ų64.833%0.33131%0.314SS..  trans-62.9126.9168.1-21.933.8000111.7P64 K98 M100P64-P91 HydrophobicContact CB-CG 3.98Å; P91-K98 HydrophobicContact CB-CB 3.77Å; P91-K98 HydrophobicContact CB-CG 4.31Å; P91-M100 HydrophobicContact CB-CG 4.35Å; P91-M100 HydrophobicContact CG-CG 4.23Å; P91-M100 HydrophobicContact CG-SD 4.13Å
92L98.3Very high96.7Very high14 Ų1455.6 Ų55.67%0.07327%0.271CS..BIsolated β-bridgetrans-121.8152.8-175.8-53.6173000110.8Q90 K98 E99 Y101 R127 E128Q90-L92 WeakPolarHBondContact O-CG 3.24Å; Q90-L92 PolarHBondContact O-N 3.24Å; L92-K98 CarbonylContact O-C 3.54Å; L92-K98 WeakPolarHBondContact O-CA 3.19Å; L92-E99 PolarHBondContact N-O 2.87Å; L92-E99 PolarHBondContact O-N 3.2Å; L92-Y101 HydrophobicContact CD1-CD2 3.77Å; L92-Y101 HydrophobicContact CD1-CE2 3.75Å; L92-R127 HydrophobicContact CB-CB 4.03Å; L92-R127 HydrophobicContact CB-CG 4.02Å; L92-R127 HydrophobicContact CD1-CB 4.43Å; L92-E128 VanDerWaalsContact CD1-O 3.23Å; L92-E128 WeakPolarHBondContact CD1-O 3.47Å
93G96.4Very high96.9Very high16 Ų1652.5 Ų52.517%0.16526%0.257CS..  trans146.6156.3-174.900000110.3K98 S126G93-K98 PolarHBondContact O-NZ 3.4Å; G93-S126 CarbonylContact C-O 3.43Å; G93-S126 WeakPolarHBondContact CA-O 3.43Å; G93-S126 PolarHBondContact N-O 3.15Å
94R92.1Very high96.9Very high107 Ų10747.2 Ų47.240%0.40423%0.232SC..SBendtrans-83.7-30175.1-61.8-171-165.7-145.110.7113.4D123 V124R94-D123 IonicContact CZ-OD1 3.72Å; R94-D123 IonicContact CZ-OD2 2.76Å; R94-D123 IonicContact NE-OD1 2.74Å; R94-D123 PolarHBondContact NH1-O 2.91Å; R94-D123 IonicContact NH1-OD1 3.71Å; R94-D123 IonicContact NH1-OD2 2.76Å; R94-D123 PolarHBondContact NH1-OD2 3.14Å; R94-D123 PolarHBondContact NH2-O 3.38Å; R94-V124 PolarHBondContact NH2-O 2.8Å
95D90.1Very high96.9Very high104 Ų10448 Ų4856%0.55624%0.236SC*.SBendtrans-111.2-157.5-173.863.325.3000112.2Y97 K98D95-Y97 VanDerWaalsContact C-N 3.26Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Y97 VanDerWaalsContact OD1-CB 3.29Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.31Å; D95-Y97 PolarHBondContact OD1-N 3.19Å; D95-K98 WeakPolarHBondContact O-CD 3.46Å; D95-K98 WeakPolarHBondContact O-CE 3.33Å; D95-K98 PolarHBondContact O-NZ 3.21Å
96Q88.3Confident96.9Very high197 Ų19747.7 Ų47.792%0.92123%0.229SC*.SBendtrans-72.9-21.1178.7-65.6-173-1.700113K98Q96-K98 PolarHBondContact O-N 2.86Å
97Y91.5Very high96.7Very high83 Ų8349.5 Ų49.533%0.32524%0.237SC..  trans-81.8107.8176.4-177.8-88.7000107.9R62 D95 E99R62-Y97 VanDerWaalsContact CZ-CE2 3.42Å; D95-Y97 VanDerWaalsContact C-N 3.26Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Y97 VanDerWaalsContact OD1-CB 3.29Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.31Å; D95-Y97 PolarHBondContact OD1-N 3.19Å; Y97-E99 HydrophobicContact CD1-CG 4.46Å; Y97-E99 HydrophobicContact CE1-CG 3.71Å; Y97-E99 WeakPolarHBondContact CE1-OE1 3.27Å; Y97-E99 VanDerWaalsContact CZ-OE1 3.3Å; Y97-E99 PolarHBondContact OH-OE1 2.87Å
98K97.2Very high96.5Very high79 Ų7952.4 Ų52.434%0.34325%0.251SS..  trans-116.3145.8-179.3-54.8-62.4-163.7-160.90110.7P91 L92 G93 D95 Q96P91-K98 HydrophobicContact CB-CB 3.77Å; P91-K98 HydrophobicContact CB-CG 4.31Å; L92-K98 CarbonylContact O-C 3.54Å; L92-K98 WeakPolarHBondContact O-CA 3.19Å; G93-K98 PolarHBondContact O-NZ 3.4Å; D95-K98 WeakPolarHBondContact O-CD 3.46Å; D95-K98 WeakPolarHBondContact O-CE 3.33Å; D95-K98 PolarHBondContact O-NZ 3.21Å; Q96-K98 PolarHBondContact O-N 2.86Å
99E98.3Very high96.2Very high8 Ų851.5 Ų51.54%0.03725%0.245CC..BIsolated β-bridgetrans-131161.8176.7-65173.9167.700110.3E60 V61 R62 L92 Y97 R127 H149E60-E99 WeakPolarHBondContact CG-OE1 3.23Å; V61-E99 CarbonylContact O-C 3.42Å; V61-E99 VanDerWaalsContact O-CA 3.32Å; V61-E99 WeakPolarHBondContact O-CA 3.41Å; R62-E99 HydrophobicContact CG-CG 4.27Å; L92-E99 PolarHBondContact N-O 2.87Å; L92-E99 PolarHBondContact O-N 3.2Å; Y97-E99 HydrophobicContact CD1-CG 4.46Å; Y97-E99 HydrophobicContact CE1-CG 3.71Å; Y97-E99 WeakPolarHBondContact CE1-OE1 3.27Å; Y97-E99 VanDerWaalsContact CZ-OE1 3.3Å; Y97-E99 PolarHBondContact OH-OE1 2.87Å; E99-R127 IonicContact OE1-NH1 3.53Å; E99-R127 WeakPolarHBondContact OE2-CD 3.27Å; E99-R127 IonicContact OE2-CZ 3.77Å; E99-R127 IonicContact OE2-NE 2.73Å; E99-R127 PolarHBondContact OE2-NE 2.91Å; E99-R127 IonicContact OE2-NH1 3.57Å; E99-R127 PolarHBondContact OE2-NH1 2.84Å; E99-H149 IonicContact OE1-CE1 3.56Å; E99-H149 IonicContact OE1-ND1 2.81Å; E99-H149 IonicContact OE2-CE1 3.62Å; E99-H149 PolarHBondContact OE2-CE1 3.43Å; E99-H149 VanDerWaalsContact OE2-CE1 3.29Å; E99-H149 IonicContact OE2-CG 3.61Å; E99-H149 IonicContact OE2-ND1 3.23Å; E99-H149 PolarHBondContact OE2-ND1 2.96Å
100M98.8Very high96Very high11 Ų1151.5 Ų51.55%0.05425%0.245CC..EExtended strand (participates in β ladder)trans-122.5147.1177.8-63.3166.955.900109.5V61 D63 L66 S89 P91V61-M100 HydrophobicContact CB-CB 4.05Å; V61-M100 WeakPolarHBondContact CB-O 3.41Å; V61-M100 HydrophobicContact CG1-CB 4.19Å; V61-M100 PolarHBondContact O-N 3.24Å; D63-M100 VanDerWaalsContact O-SD 3.37Å; L66-M100 HydrophobicContact CD2-CE 3.61Å; S89-M100 WeakPolarHBondContact O-CE 3.2Å; S89-M100 WeakPolarHBondContact OG-CA 3.5Å; P91-M100 HydrophobicContact CB-CG 4.35Å; P91-M100 HydrophobicContact CG-CG 4.23Å; P91-M100 HydrophobicContact CG-SD 4.13Å
101Y98.9Very high95.9Very high4 Ų447.4 Ų47.42%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-86.4132.5161.6-63.7-61.6000108.8L57 Q59 S88 S89 L92 R127 E128 F130 P147 H149L57-Y101 HydrophobicContact CD1-CD1 4.13Å; Q59-Y101 HydrophobicContact CG-CD1 4.11Å; Q59-Y101 HydrophobicContact CG-CE1 4.23Å; S88-Y101 CarbonylContact C-O 3.56Å; S88-Y101 WeakPolarHBondContact CA-O 3.36Å; S89-Y101 PolarHBondContact N-O 2.98Å; S89-Y101 PolarHBondContact OG-N 3.07Å; L92-Y101 HydrophobicContact CD1-CD2 3.77Å; L92-Y101 HydrophobicContact CD1-CE2 3.75Å; Y101-R127 HydrophobicContact CE2-CB 4.27Å; Y101-R127 PolarHBondContact OH-O 2.94Å; Y101-R127 VanDerWaalsContact OH-O 3.14Å; Y101-E128 VanDerWaalsContact CE2-O 3.31Å; Y101-E128 WeakPolarHBondContact CE2-O 3.32Å; Y101-F130 HydrophobicContact CD2-CB 3.75Å; Y101-F130 HydrophobicContact CG-CB 4.33Å; Y101-P147 HydrophobicContact CD1-CB 3.69Å; Y101-P147 HydrophobicContact CD1-CG 4.04Å; Y101-P147 HydrophobicContact CD2-CB 4.41Å; Y101-P147 HydrophobicContact CD2-CG 3.89Å; Y101-P147 HydrophobicContact CE1-CB 3.91Å; Y101-P147 HydrophobicContact CE1-CG 4.39Å; Y101-P147 HydrophobicContact CE2-CG 4.25Å; Y101-P147 HydrophobicContact CG-CB 3.95Å; Y101-P147 HydrophobicContact CG-CG 3.76Å; Y101-H149 HydrophobicContact CE1-CB 3.9Å; Y101-H149 PolarHBondContact OH-N 2.86Å
102L98.9Very high95.9Very high1 Ų147.1 Ų47.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-124.1121.1176.3174.673.4000109.2L57 V58 V61 V69 L72 F86 V104L57-L102 CarbonylContact C-O 3.6Å; V58-L102 HydrophobicContact CB-CB 4.18Å; V58-L102 HydrophobicContact CB-CD2 4.27Å; V58-L102 HydrophobicContact CG2-CD2 4.48Å; V58-L102 PolarHBondContact N-O 2.93Å; V58-L102 PolarHBondContact O-N 2.68Å; V61-L102 HydrophobicContact CG2-CB 3.92Å; V61-L102 HydrophobicContact CG2-CD2 4.39Å; V69-L102 HydrophobicContact CG1-CD1 3.82Å; V69-L102 HydrophobicContact CG1-CD2 4.21Å; V69-L102 HydrophobicContact CG2-CD1 4.24Å; V69-L102 HydrophobicContact CG2-CD2 3.96Å; L72-L102 HydrophobicContact CD2-CD2 4.35Å; F86-L102 HydrophobicContact CB-CD1 3.78Å; F86-L102 HydrophobicContact CD2-CD1 3.51Å; F86-L102 HydrophobicContact CE2-CD1 4.42Å; F86-L102 HydrophobicContact CG-CD1 3.94Å; L102-V104 HydrophobicContact CD2-CG2 3.83Å; L102-V104 HydrophobicContact CG-CG2 3.94Å
103F98.9Very high95.9Very high0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-97.2121.3166.4-72.2-79.6000109.7L55 A56 L57 F86 V87 F130 V132 F134 L145 P147L55-F103 HydrophobicContact CD1-CB 4.44Å; L55-F103 HydrophobicContact CD1-CD1 4.14Å; A56-F103 CarbonylContact O-C 3.55Å; A56-F103 WeakPolarHBondContact O-CA 3.45Å; L57-F103 HydrophobicContact CB-CD1 4.13Å; L57-F103 HydrophobicContact CB-CE1 3.78Å; L57-F103 HydrophobicContact CB-CZ 4.49Å; L57-F103 HydrophobicContact CD1-CD1 4.36Å; L57-F103 HydrophobicContact CD1-CE1 3.95Å; L57-F103 HydrophobicContact CD1-CE2 4.22Å; L57-F103 HydrophobicContact CD1-CZ 3.89Å; L57-F103 HydrophobicContact CG-CE1 4.37Å; F86-F103 CarbonylContact C-O 3.5Å; F86-F103 WeakPolarHBondContact CA-O 3.43Å; F86-F103 WeakPolarHBondContact CB-O 3.37Å; V87-F103 HydrophobicContact CG1-CB 3.86Å; V87-F103 PolarHBondContact N-O 3.16Å; V87-F103 PolarHBondContact O-N 3.28Å; F103-F130 HydrophobicContact CD2-CD1 4.12Å; F103-F130 HydrophobicContact CD2-CE1 4.28Å; F103-F130 HydrophobicContact CE2-CD1 4.09Å; F103-V132 HydrophobicContact CD2-CB 4.22Å; F103-V132 HydrophobicContact CD2-CG2 3.5Å; F103-V132 HydrophobicContact CE2-CB 4.14Å; F103-V132 HydrophobicContact CE2-CG2 3.51Å; F103-V132 HydrophobicContact CG-CG2 4.47Å; F103-V132 HydrophobicContact CZ-CG2 4.48Å; F103-F134 HydrophobicContact CB-CZ 4Å; F103-F134 HydrophobicContact CD1-CE2 4.3Å; F103-F134 HydrophobicContact CD1-CZ 4.26Å; F103-F134 HydrophobicContact CG-CE2 4.43Å; F103-F134 HydrophobicContact CG-CZ 4.09Å; F103-L145 HydrophobicContact CD1-CD2 4.1Å; F103-L145 HydrophobicContact CE1-CB 3.75Å; F103-L145 HydrophobicContact CE1-CD2 3.59Å; F103-L145 HydrophobicContact CE1-CG 4.3Å; F103-L145 HydrophobicContact CZ-CB 3.86Å; F103-P147 HydrophobicContact CE2-CG 4.03Å; F103-P147 HydrophobicContact CZ-CB 4.12Å; F103-P147 HydrophobicContact CZ-CG 4Å
104V98.9Very high96Very high1 Ų152.2 Ų52.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-104.1130.6172.71780000108.4L55 A56 V58 M73 I76 Y84 L102L55-V104 CarbonylContact C-O 3.56Å; L55-V104 WeakPolarHBondContact CA-O 3.39Å; A56-V104 PolarHBondContact N-O 3.11Å; A56-V104 PolarHBondContact O-N 3.02Å; V58-V104 HydrophobicContact CG2-CG2 4.45Å; M73-V104 HydrophobicContact CE-CG1 4.41Å; M73-V104 HydrophobicContact SD-CG1 4.11Å; M73-V104 HydrophobicContact SD-CG2 4.27Å; I76-V104 HydrophobicContact CD1-CG1 3.86Å; Y84-V104 HydrophobicContact CD1-CG1 3.78Å; L102-V104 HydrophobicContact CD2-CG2 3.83Å; L102-V104 HydrophobicContact CG-CG2 3.94Å
105Y98.6Very high96.3Very high28 Ų2849.4 Ų49.411%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-146.8147.6-173.962.3-89.2000113.7D54 Y84 S85 F86 V87 V110 V112 F134D54-Y105 WeakPolarHBondContact O-CA 3.35Å; Y84-Y105 CarbonylContact C-O 3.56Å; Y84-Y105 VanDerWaalsContact CA-O 3.31Å; Y84-Y105 WeakPolarHBondContact CA-O 3.3Å; S85-Y105 PolarHBondContact N-O 3.23Å; S85-Y105 PolarHBondContact O-N 3.01Å; S85-Y105 PolarHBondContact OG-OH 2.88Å; F86-Y105 VanDerWaalsContact C-CE1 3.49Å; V87-Y105 HydrophobicContact CB-CE1 4.49Å; V87-Y105 HydrophobicContact CG1-CE1 4.32Å; Y105-V110 HydrophobicContact CD2-CG2 4.06Å; Y105-V110 HydrophobicContact CG-CG2 4.14Å; Y105-V112 HydrophobicContact CD1-CG2 4.36Å; Y105-V112 HydrophobicContact CE1-CG2 3.64Å; Y105-V112 HydrophobicContact CE2-CG2 4.47Å; Y105-F134 HydrophobicContact CD1-CE1 4.03Å; Y105-F134 HydrophobicContact CG-CE1 4.24Å
106R97.8Very high96.7Very high28 Ų2845.6 Ų45.611%0.10623%0.229CC..EExtended strand (participates in β ladder)trans-78.8122.9177-151179.480.8-165.6-31.8110.1D54 H82 Y84 D108 A109 V110D54-R106 PolarHBondContact O-N 3.19Å; D54-R106 IonicContact OD1-CZ 3Å; D54-R106 IonicContact OD1-NE 3.16Å; D54-R106 IonicContact OD1-NH1 3.16Å; D54-R106 PolarHBondContact OD1-NH1 3.14Å; D54-R106 VanDerWaalsContact OD1-NH1 3.16Å; D54-R106 IonicContact OD1-NH2 2.7Å; D54-R106 PolarHBondContact OD1-NH2 3.47Å; H82-R106 VanDerWaalsContact CB-CD 3.41Å; H82-R106 HydrophobicContact CB-CG 3.41Å; H82-R106 VanDerWaalsContact CB-CG 3.41Å; H82-R106 PolarHBondContact CE1-NH1 3.32Å; H82-R106 VanDerWaalsContact CE1-NH1 3.32Å; H82-R106 PolarHBondContact NE2-NH1 3.19Å; H82-R106 VanDerWaalsContact NE2-NH1 3.12Å; Y84-R106 HydrophobicContact CD1-CB 4.37Å; Y84-R106 HydrophobicContact CD2-CG 4.29Å; Y84-R106 HydrophobicContact CE1-CB 3.99Å; Y84-R106 HydrophobicContact CE1-CG 4.34Å; Y84-R106 HydrophobicContact CE2-CB 4.34Å; Y84-R106 HydrophobicContact CE2-CG 3.79Å; R106-D108 VanDerWaalsContact C-N 3.26Å; R106-D108 WeakPolarHBondContact CD-OD1 3.47Å; R106-D108 WeakPolarHBondContact CG-OD1 3.42Å; R106-D108 IonicContact CZ-OD1 3.91Å; R106-D108 IonicContact NE-OD1 3.55Å; R106-D108 PolarHBondContact NE-OD1 2.98Å; R106-D108 IonicContact NE-OD2 3.89Å; R106-D108 PolarHBondContact O-N 2.67Å; R106-A109 HydrophobicContact CB-CB 3.88Å; R106-A109 PolarHBondContact O-N 2.97Å; R106-V110 PolarHBondContact O-N 3.24Å; R106-V110 VanDerWaalsContact O-N 3.13Å
107K96Very high97.2Very high101 Ų10139.2 Ų39.244%0.43920%0.199SC..THydrogen-bonded Turntrans-66.8-24.1-170.1-68.5173.171-167.30114.2E83E83-K107 HydrophobicContact CB-CD 4.12Å; E83-K107 VanDerWaalsContact CD-CD 3.46Å; E83-K107 HydrophobicContact CG-CD 3.75Å; E83-K107 PolarHBondContact O-N 2.86Å; E83-K107 IonicContact OE1-NZ 2.79Å; E83-K107 PolarHBondContact OE1-NZ 2.81Å; E83-K107 IonicContact OE2-NZ 3.45Å; E83-K107 PolarHBondContact OE2-NZ 2.86Å
108D93.3Very high97.5Very high89 Ų8936.9 Ų36.948%0.47619%0.19SC..THydrogen-bonded Turntrans-89.9-8.6175.565.6-7.4000112.9H82 R106 P137H82-D108 IonicContact CE1-OD2 3.57Å; H82-D108 IonicContact CG-OD2 2.84Å; H82-D108 IonicContact ND1-OD1 3.58Å; H82-D108 IonicContact ND1-OD2 3.73Å; H82-D108 PolarHBondContact ND1-OD2 2.88Å; R106-D108 VanDerWaalsContact C-N 3.26Å; R106-D108 WeakPolarHBondContact CD-OD1 3.47Å; R106-D108 WeakPolarHBondContact CG-OD1 3.42Å; R106-D108 IonicContact CZ-OD1 3.91Å; R106-D108 IonicContact NE-OD1 3.55Å; R106-D108 PolarHBondContact NE-OD1 2.98Å; R106-D108 IonicContact NE-OD2 3.89Å; R106-D108 PolarHBondContact O-N 2.67Å; D108-P137 WeakPolarHBondContact O-CG 3.3Å
109A93.3Very high97.5Very high9 Ų936.9 Ų36.97%0.07420%0.198CC..THydrogen-bonded Turntrans-99.3-42179.600000112.5L22 D54 R106 P137L22-A109 HydrophobicContact CD1-CB 4.08Å; D54-A109 HydrophobicContact CB-CB 3.96Å; R106-A109 HydrophobicContact CB-CB 3.88Å; R106-A109 PolarHBondContact O-N 2.97Å; A109-P137 WeakPolarHBondContact O-CD 3.29Å
110V95Very high97.4Very high4 Ų437.7 Ų37.72%0.02420%0.202CC..  trans-147157.8180-64.10000112L22 L55 Y105 R106 F134 S135L22-V110 HydrophobicContact CD1-CG1 3.8Å; L22-V110 HydrophobicContact CD2-CG1 4Å; L55-V110 HydrophobicContact CB-CG2 4.49Å; Y105-V110 HydrophobicContact CD2-CG2 4.06Å; Y105-V110 HydrophobicContact CG-CG2 4.14Å; R106-V110 PolarHBondContact O-N 3.24Å; R106-V110 VanDerWaalsContact O-N 3.13Å; V110-F134 HydrophobicContact CB-CB 4.49Å; V110-F134 HydrophobicContact CB-CD1 4.27Å; V110-F134 HydrophobicContact CG2-CD1 3.98Å; V110-F134 HydrophobicContact CG2-CE1 4.47Å; V110-S135 CarbonylContact C-O 3.5Å; V110-S135 WeakPolarHBondContact CA-O 3.41Å
111S95.7Very high97.2Very high60 Ų6043 Ų4342%0.4224%0.237SC..EExtended strand (participates in β ladder)trans-127.4146.4167.861.40000111.3F134 S135S111-F134 CarbonylContact O-C 3.58Å; S111-F134 WeakPolarHBondContact O-CA 3.24Å; S111-S135 PolarHBondContact N-O 3.22Å; S111-S135 PolarHBondContact O-N 3.43Å
112V98Very high97Very high45 Ų4550.6 Ų50.627%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-71.8127.9171179.30000108.7V87 Y105 T115 V132 F134V87-V112 HydrophobicContact CB-CG2 4.27Å; V87-V112 HydrophobicContact CG1-CG2 3.85Å; Y105-V112 HydrophobicContact CD1-CG2 4.36Å; Y105-V112 HydrophobicContact CE1-CG2 3.64Å; Y105-V112 HydrophobicContact CE2-CG2 4.47Å; V112-T115 HydrophobicContact CG1-CG2 3.7Å; V112-V132 HydrophobicContact CG1-CG1 4.14Å; V112-V132 HydrophobicContact CG2-CG1 4.36Å; V112-F134 HydrophobicContact CG2-CD1 4.13Å; V112-F134 HydrophobicContact CG2-CE1 3.64Å; V112-F134 HydrophobicContact CG2-CZ 4.4Å
113V97.6Very high96.8Very high69 Ų6954.5 Ų54.542%0.41829%0.294SS..EExtended strand (participates in β ladder)trans-98.8-47.2178176.90000111K133 K142V113-K133 HydrophobicContact CB-CB 4.41Å; V113-K133 HydrophobicContact CB-CG 4.24Å; V113-K133 WeakPolarHBondContact CB-O 3.27Å; V113-K133 HydrophobicContact CG1-CD 4.32Å; V113-K133 PolarHBondContact N-O 3.1Å; V113-K142 HydrophobicContact CG2-CD 4.11Å
114D98.3Very high96.8Very high68 Ų6856.1 Ų56.136%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-159.3156.7-177.5-16513.3000109.3K133 W173D114-K133 HydrophobicContact CB-CB 4.42Å; D114-K133 PolarHBondContact O-N 2.93Å; D114-W173 HydrophobicContact CB-CZ2 3.85Å; D114-W173 PolarHBondContact OD2-NE1 2.76Å
115T98.7Very high96.8Very high48 Ų4856.1 Ų56.129%0.29430%0.304SS..EExtended strand (participates in β ladder)trans-144.7148.7179.759.90000110.3V87 V112 F130 V131 V132V87-T115 HydrophobicContact CG2-CG2 4.1Å; V112-T115 HydrophobicContact CG1-CG2 3.7Å; T115-F130 HydrophobicContact CG2-CZ 4.02Å; T115-V131 WeakPolarHBondContact CA-O 3.28Å; T115-V132 HydrophobicContact CG2-CB 4.3Å; T115-V132 HydrophobicContact CG2-CG1 3.9Å; T115-V132 HydrophobicContact CG2-CG2 3.92Å
116Y98.8Very high96.8Very high25 Ų2556 Ų5610%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-154.2155.9164.271.4-71.6000111.4V131 D168 V169 K172 W173Y116-V131 HydrophobicContact CD1-CB 3.89Å; Y116-V131 HydrophobicContact CD1-CG1 4.26Å; Y116-V131 HydrophobicContact CE1-CB 3.5Å; Y116-V131 HydrophobicContact CE1-CG1 3.57Å; Y116-V131 HydrophobicContact CE1-CG2 4.07Å; Y116-V131 HydrophobicContact CE2-CG2 4.43Å; Y116-V131 PolarHBondContact N-O 3.1Å; Y116-V131 PolarHBondContact O-N 2.83Å; Y116-D168 WeakPolarHBondContact CE2-OD2 3.47Å; Y116-D168 VanDerWaalsContact CZ-OD2 3.23Å; Y116-D168 PolarHBondContact OH-OD2 2.92Å; Y116-V169 WeakPolarHBondContact OH-CG2 3.34Å; Y116-K172 HydrophobicContact CD1-CD 3.74Å; Y116-K172 VanDerWaalsContact CD1-CE 3.45Å; Y116-K172 HydrophobicContact CD2-CD 4.28Å; Y116-K172 HydrophobicContact CE1-CD 3.45Å; Y116-K172 VanDerWaalsContact CE1-CD 3.45Å; Y116-K172 HydrophobicContact CE2-CD 4.01Å; Y116-K172 HydrophobicContact CG-CD 4.15Å; Y116-W173 AromaticContact CD1-CH2 3.54Å; Y116-W173 HydrophobicContact CD1-CH2 3.54Å; Y116-W173 AromaticContact CD1-CZ2 3.55Å; Y116-W173 HydrophobicContact CD1-CZ2 3.55Å; Y116-W173 HydrophobicContact CD1-CZ3 4.39Å; Y116-W173 HydrophobicContact CE1-CE3 4.44Å; Y116-W173 AromaticContact CE1-CH2 3.49Å; Y116-W173 HydrophobicContact CE1-CH2 3.49Å; Y116-W173 VanDerWaalsContact CE1-CH2 3.49Å; Y116-W173 AromaticContact CE1-CZ2 3.74Å; Y116-W173 HydrophobicContact CE1-CZ2 3.74Å; Y116-W173 AromaticContact CE1-CZ3 3.88Å; Y116-W173 HydrophobicContact CE1-CZ3 3.88Å
117Q98.8Very high96.8Very high62 Ų6255.7 Ų55.729%0.2931%0.305SS..EExtended strand (participates in β ladder)trans-83.9124.9167.8-169.359.666.600107.9E128 P129Q117-E128 HydrophobicContact CG-CB 4.35Å; Q117-E128 VanDerWaalsContact NE2-CB 3.26Å; Q117-E128 PolarHBondContact NE2-O 2.81Å; Q117-P129 PolarHBondContact NE2-O 2.85Å
118Y98.8Very high96.9Very high35 Ų3553.4 Ų53.414%0.13730%0.297CS..  trans-56.4124.9177.5178-105.6000109.8D120 F125 P129 V165 D168Y118-D120 HydrophobicContact CD1-CB 4.13Å; Y118-D120 HydrophobicContact CE1-CB 4.31Å; Y118-D120 PolarHBondContact O-N 3.18Å; Y118-F125 HydrophobicContact CD1-CD2 4.28Å; Y118-F125 AromaticContact CD1-CE2 3.99Å; Y118-F125 HydrophobicContact CD1-CE2 3.99Å; Y118-F125 HydrophobicContact CE1-CD2 4.45Å; Y118-F125 AromaticContact CE1-CE2 3.94Å; Y118-F125 HydrophobicContact CE1-CE2 3.94Å; Y118-P129 WeakPolarHBondContact CB-O 3.37Å; Y118-P129 PolarHBondContact N-O 3.22Å; Y118-V165 HydrophobicContact CD1-CG2 3.94Å; Y118-V165 HydrophobicContact CD2-CB 4.25Å; Y118-V165 HydrophobicContact CD2-CG1 4.03Å; Y118-V165 HydrophobicContact CD2-CG2 3.91Å; Y118-V165 HydrophobicContact CE1-CG2 3.96Å; Y118-V165 HydrophobicContact CE2-CB 4.28Å; Y118-V165 HydrophobicContact CE2-CG2 3.93Å; Y118-V165 HydrophobicContact CG-CG1 4.4Å; Y118-V165 HydrophobicContact CG-CG2 3.91Å; Y118-D168 HydrophobicContact CD2-CB 4.18Å; Y118-D168 HydrophobicContact CE2-CB 3.63Å
119P96.1Very high97.2Very high78 Ų7849.2 Ų49.251%0.50627%0.274SS..  trans-73.1109.1176.229-30.8000108.1P121P119-P121 WeakPolarHBondContact O-CD 3.47Å
120D96.2Very high97.5Very high26 Ų2649.4 Ų49.414%0.13927%0.273CS..  trans-104.274-178.5-175.216.1000111.3Y118 E122 D123 V124 F125 E128Y118-D120 HydrophobicContact CD1-CB 4.13Å; Y118-D120 HydrophobicContact CE1-CB 4.31Å; Y118-D120 PolarHBondContact O-N 3.18Å; D120-E122 PolarHBondContact O-N 3.08Å; D120-D123 PolarHBondContact O-N 3.47Å; D120-D123 PolarHBondContact OD1-N 3.03Å; D120-V124 PolarHBondContact OD1-N 3.03Å; D120-V124 PolarHBondContact OD2-N 2.9Å; D120-F125 HydrophobicContact CB-CD2 4.36Å; D120-F125 WeakPolarHBondContact OD2-CD2 3.42Å; D120-F125 PolarHBondContact OD2-N 3.12Å; D120-E128 HydrophobicContact CB-CG 3.75Å
121P94.4Very high97.6Very high121 Ų12149.2 Ų49.279%0.78627%0.272SS*.THydrogen-bonded Turntrans-68-19.4-176.430.2-37.7000113.3P119 D123P119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-D123 VanDerWaalsContact C-N 3.33Å
122E94.6Very high97.8Very high164 Ų16446.3 Ų46.377%0.76625%0.252SS*.THydrogen-bonded Turntrans-88.9-2.6179-64.3-172.3179.800112.3D120 V124D120-E122 PolarHBondContact O-N 3.08Å; E122-V124 VanDerWaalsContact C-N 3.28Å; E122-V124 HydrophobicContact CB-CG2 3.84Å; E122-V124 PolarHBondContact O-N 2.95Å
123D96.1Very high97.8Very high84 Ų8445.7 Ų45.745%0.44925%0.245SC..  trans49.950.5-179.6-172.940.7000110.7R94 D120 P121R94-D123 IonicContact CZ-OD1 3.72Å; R94-D123 IonicContact CZ-OD2 2.76Å; R94-D123 IonicContact NE-OD1 2.74Å; R94-D123 PolarHBondContact NH1-O 2.91Å; R94-D123 IonicContact NH1-OD1 3.71Å; R94-D123 IonicContact NH1-OD2 2.76Å; R94-D123 PolarHBondContact NH1-OD2 3.14Å; R94-D123 PolarHBondContact NH2-O 3.38Å; D120-D123 PolarHBondContact O-N 3.47Å; D120-D123 PolarHBondContact OD1-N 3.03Å; P121-D123 VanDerWaalsContact C-N 3.33Å
124V97.9Very high97.8Very high33 Ų3342.5 Ų42.520%0.223%0.226CC..  trans-82.2-44.7179.3-179.60000110.4R94 D120 E122 A161R94-V124 PolarHBondContact NH2-O 2.8Å; D120-V124 PolarHBondContact OD1-N 3.03Å; D120-V124 PolarHBondContact OD2-N 2.9Å; E122-V124 VanDerWaalsContact C-N 3.28Å; E122-V124 HydrophobicContact CB-CG2 3.84Å; E122-V124 PolarHBondContact O-N 2.95Å; V124-A161 HydrophobicContact CB-CB 4.44Å; V124-A161 HydrophobicContact CG1-CB 3.7Å
125F98.6Very high97.5Very high2 Ų239.8 Ų39.81%0.00921%0.213CC..  trans-84.6133.6-177.2-62.3-78.2000111Y118 D120 R127 E128 P129 L148 E158 A161 L162 V165Y118-F125 HydrophobicContact CD1-CD2 4.28Å; Y118-F125 AromaticContact CD1-CE2 3.99Å; Y118-F125 HydrophobicContact CD1-CE2 3.99Å; Y118-F125 HydrophobicContact CE1-CD2 4.45Å; Y118-F125 AromaticContact CE1-CE2 3.94Å; Y118-F125 HydrophobicContact CE1-CE2 3.94Å; D120-F125 HydrophobicContact CB-CD2 4.36Å; D120-F125 WeakPolarHBondContact OD2-CD2 3.42Å; D120-F125 PolarHBondContact OD2-N 3.12Å; F125-R127 VanDerWaalsContact C-N 3.26Å; F125-E128 HydrophobicContact CB-CG 4.5Å; F125-P129 HydrophobicContact CD1-CG 4.22Å; F125-P129 HydrophobicContact CD2-CG 4.41Å; F125-P129 HydrophobicContact CE1-CG 4Å; F125-P129 HydrophobicContact CE2-CG 4.21Å; F125-P129 HydrophobicContact CG-CG 4.42Å; F125-P129 HydrophobicContact CZ-CG 3.99Å; F125-L148 HydrophobicContact CD1-CD1 3.71Å; F125-L148 HydrophobicContact CE1-CD1 3.94Å; F125-E158 HydrophobicContact CD1-CB 3.92Å; F125-E158 HydrophobicContact CD1-CG 4.04Å; F125-E158 HydrophobicContact CE1-CB 4.1Å; F125-E158 WeakPolarHBondContact CE1-O 3.37Å; F125-A161 HydrophobicContact CE1-CB 4.12Å; F125-A161 HydrophobicContact CE2-CB 3.93Å; F125-A161 HydrophobicContact CZ-CB 3.5Å; F125-L162 HydrophobicContact CE1-CD2 4.13Å; F125-L162 HydrophobicContact CE1-CG 4.41Å; F125-L162 HydrophobicContact CZ-CD2 4.17Å; F125-V165 HydrophobicContact CE2-CG2 3.95Å; F125-V165 HydrophobicContact CZ-CG2 3.83Å
126S98Very high96.9Very high24 Ų2439 Ų3917%0.16821%0.211CC..SBendtrans-66.8-33.4165.8-164.20000111.9G93 E158G93-S126 CarbonylContact C-O 3.43Å; G93-S126 WeakPolarHBondContact CA-O 3.43Å; G93-S126 PolarHBondContact N-O 3.15Å; S126-E158 WeakPolarHBondContact CB-OE1 3.24Å; S126-E158 PolarHBondContact N-OE1 3.1Å
127R98.6Very high95.9Very high22 Ų2241.7 Ų41.78%0.08323%0.231CC..SBendtrans-133.499.3175.3-66.9162.2-70.6-115.5-5.8108.8L92 E99 Y101 F125 H149 A150L92-R127 HydrophobicContact CB-CB 4.03Å; L92-R127 HydrophobicContact CB-CG 4.02Å; L92-R127 HydrophobicContact CD1-CB 4.43Å; E99-R127 IonicContact OE1-NH1 3.53Å; E99-R127 WeakPolarHBondContact OE2-CD 3.27Å; E99-R127 IonicContact OE2-CZ 3.77Å; E99-R127 IonicContact OE2-NE 2.73Å; E99-R127 PolarHBondContact OE2-NE 2.91Å; E99-R127 IonicContact OE2-NH1 3.57Å; E99-R127 PolarHBondContact OE2-NH1 2.84Å; Y101-R127 HydrophobicContact CE2-CB 4.27Å; Y101-R127 PolarHBondContact OH-O 2.94Å; Y101-R127 VanDerWaalsContact OH-O 3.14Å; F125-R127 VanDerWaalsContact C-N 3.26Å; R127-H149 VanDerWaalsContact CZ-ND1 3.3Å; R127-H149 VanDerWaalsContact CZ-O 3.22Å; R127-H149 PolarHBondContact NE-O 3Å; R127-H149 PolarHBondContact NH1-ND1 3.32Å; R127-H149 PolarHBondContact NH2-O 3.44Å; R127-A150 VanDerWaalsContact NH2-C 3.3Å; R127-A150 PolarHBondContact NH2-O 2.96Å
128E98.8Very high94.2Very high54 Ų5443.2 Ų43.225%0.25226%0.264SS..  trans-54.4139.2-175.3-56.392.6143.200110.6L92 Y101 Q117 D120 F125 F130L92-E128 VanDerWaalsContact CD1-O 3.23Å; L92-E128 WeakPolarHBondContact CD1-O 3.47Å; Y101-E128 VanDerWaalsContact CE2-O 3.31Å; Y101-E128 WeakPolarHBondContact CE2-O 3.32Å; Q117-E128 HydrophobicContact CG-CB 4.35Å; Q117-E128 VanDerWaalsContact NE2-CB 3.26Å; Q117-E128 PolarHBondContact NE2-O 2.81Å; D120-E128 HydrophobicContact CB-CG 3.75Å; F125-E128 HydrophobicContact CB-CG 4.5Å; E128-F130 PolarHBondContact O-N 2.85Å
129P98.9Very high92.9Very high0 Ų042.5 Ų42.50%026%0.264CS..  trans-62.1123.4-179.6-31.239.6000114.2Q117 Y118 F125 V131 I146 P147 L162 V165Q117-P129 PolarHBondContact NE2-O 2.85Å; Y118-P129 WeakPolarHBondContact CB-O 3.37Å; Y118-P129 PolarHBondContact N-O 3.22Å; F125-P129 HydrophobicContact CD1-CG 4.22Å; F125-P129 HydrophobicContact CD2-CG 4.41Å; F125-P129 HydrophobicContact CE1-CG 4Å; F125-P129 HydrophobicContact CE2-CG 4.21Å; F125-P129 HydrophobicContact CG-CG 4.42Å; F125-P129 HydrophobicContact CZ-CG 3.99Å; P129-V131 HydrophobicContact CB-CG2 4.45Å; P129-V131 PolarHBondContact O-N 3.18Å; P129-I146 HydrophobicContact CB-CG2 3.94Å; P129-P147 WeakPolarHBondContact CB-O 3.23Å; P129-L162 HydrophobicContact CG-CD2 3.95Å; P129-V165 HydrophobicContact CG-CG2 4.18Å
130F98.9Very high91.4Very high13 Ų1343.6 Ų43.66%0.05728%0.279CS..EExtended strand (participates in β ladder)trans-8791.5173.3178.5-121.6000110.7V87 S88 Y101 F103 T115 E128 V132 P147V87-F130 HydrophobicContact CG1-CE1 4.43Å; V87-F130 HydrophobicContact CG2-CE1 4.2Å; V87-F130 HydrophobicContact CG2-CZ 3.98Å; S88-F130 VanDerWaalsContact C-CE1 3.46Å; S88-F130 WeakPolarHBondContact O-CZ 3.24Å; Y101-F130 HydrophobicContact CD2-CB 3.75Å; Y101-F130 HydrophobicContact CG-CB 4.33Å; F103-F130 HydrophobicContact CD2-CD1 4.12Å; F103-F130 HydrophobicContact CD2-CE1 4.28Å; F103-F130 HydrophobicContact CE2-CD1 4.09Å; T115-F130 HydrophobicContact CG2-CZ 4.02Å; E128-F130 PolarHBondContact O-N 2.85Å; F130-V132 HydrophobicContact CD1-CG2 3.78Å; F130-V132 HydrophobicContact CE1-CG2 3.5Å; F130-V132 HydrophobicContact CZ-CG2 4.01Å; F130-P147 HydrophobicContact CB-CG 4.14Å; F130-P147 WeakPolarHBondContact O-CD 3.4Å; F130-P147 VanDerWaalsContact O-CG 3.24Å; F130-P147 WeakPolarHBondContact O-CG 3.43Å
131V98.9Very high90.3Very high0 Ų045.5 Ų45.50%029%0.287CS..EExtended strand (participates in β ladder)trans-79.8126.5-171.4-175.40000111T115 Y116 P129 V144 I146 V165 V169 W173T115-V131 WeakPolarHBondContact CA-O 3.28Å; Y116-V131 HydrophobicContact CD1-CB 3.89Å; Y116-V131 HydrophobicContact CD1-CG1 4.26Å; Y116-V131 HydrophobicContact CE1-CB 3.5Å; Y116-V131 HydrophobicContact CE1-CG1 3.57Å; Y116-V131 HydrophobicContact CE1-CG2 4.07Å; Y116-V131 HydrophobicContact CE2-CG2 4.43Å; Y116-V131 PolarHBondContact N-O 3.1Å; Y116-V131 PolarHBondContact O-N 2.83Å; P129-V131 HydrophobicContact CB-CG2 4.45Å; P129-V131 PolarHBondContact O-N 3.18Å; V131-V144 HydrophobicContact CG1-CG1 3.5Å; V131-I146 HydrophobicContact CG1-CG1 3.96Å; V131-I146 HydrophobicContact CG2-CG1 4.22Å; V131-I146 HydrophobicContact CG2-CG2 4.39Å; V131-V165 HydrophobicContact CG2-CG1 4.13Å; V131-V169 HydrophobicContact CG1-CG2 3.91Å; V131-W173 HydrophobicContact CG1-CH2 3.83Å; V131-W173 HydrophobicContact CG1-CZ3 3.54Å
132V98.9Very high90Very high0 Ų043 Ų430%026%0.264CS..EExtended strand (participates in β ladder)trans-124.8127.8-178.3-1760000111.6V87 F103 V112 T115 F130 F134 V144 L145V87-V132 HydrophobicContact CG1-CG1 4.23Å; V87-V132 HydrophobicContact CG1-CG2 4.33Å; F103-V132 HydrophobicContact CD2-CB 4.22Å; F103-V132 HydrophobicContact CD2-CG2 3.5Å; F103-V132 HydrophobicContact CE2-CB 4.14Å; F103-V132 HydrophobicContact CE2-CG2 3.51Å; F103-V132 HydrophobicContact CG-CG2 4.47Å; F103-V132 HydrophobicContact CZ-CG2 4.48Å; V112-V132 HydrophobicContact CG1-CG1 4.14Å; V112-V132 HydrophobicContact CG2-CG1 4.36Å; T115-V132 HydrophobicContact CG2-CB 4.3Å; T115-V132 HydrophobicContact CG2-CG1 3.9Å; T115-V132 HydrophobicContact CG2-CG2 3.92Å; F130-V132 HydrophobicContact CD1-CG2 3.78Å; F130-V132 HydrophobicContact CE1-CG2 3.5Å; F130-V132 HydrophobicContact CZ-CG2 4.01Å; V132-F134 HydrophobicContact CB-CD2 4.28Å; V132-F134 HydrophobicContact CB-CE2 3.6Å; V132-F134 HydrophobicContact CB-CZ 4.04Å; V132-F134 HydrophobicContact CG1-CD1 4.41Å; V132-F134 HydrophobicContact CG1-CD2 3.76Å; V132-F134 HydrophobicContact CG1-CE1 3.93Å; V132-F134 HydrophobicContact CG1-CE2 3.2Å; V132-F134 HydrophobicContact CG1-CG 4.34Å; V132-F134 HydrophobicContact CG1-CZ 3.28Å; V132-V144 WeakPolarHBondContact O-CA 3.49Å; V132-L145 PolarHBondContact N-O 3.35Å; V132-L145 PolarHBondContact O-N 3.1Å
133K98.5Very high90Very high31 Ų3136.1 Ų36.114%0.13523%0.233CC..EExtended strand (participates in β ladder)trans-97118.1174.3-170174.4-168.71670110.1V113 D114 K142 V144 W173V113-K133 HydrophobicContact CB-CB 4.41Å; V113-K133 HydrophobicContact CB-CG 4.24Å; V113-K133 WeakPolarHBondContact CB-O 3.27Å; V113-K133 HydrophobicContact CG1-CD 4.32Å; V113-K133 PolarHBondContact N-O 3.1Å; D114-K133 HydrophobicContact CB-CB 4.42Å; D114-K133 PolarHBondContact O-N 2.93Å; K133-K142 HydrophobicContact CD-CB 4.5Å; K133-K142 HydrophobicContact CG-CB 4.16Å; K133-V144 HydrophobicContact CB-CG2 4.42Å; K133-V144 HydrophobicContact CG-CG2 4.19Å; K133-W173 HydrophobicContact CB-CE3 4.12Å; K133-W173 HydrophobicContact CB-CH2 3.71Å; K133-W173 HydrophobicContact CB-CZ2 4.12Å; K133-W173 HydrophobicContact CB-CZ3 3.7Å; K133-W173 HydrophobicContact CD-CD2 3.87Å; K133-W173 HydrophobicContact CD-CE3 4Å; K133-W173 HydrophobicContact CD-CG 4.22Å; K133-W173 HydrophobicContact CD-CZ3 4.42Å; K133-W173 HydrophobicContact CG-CE3 4.39Å; K133-W173 HydrophobicContact CG-CZ3 4.43Å
134F97.4Very high90.1Very high2 Ų232.1 Ų32.11%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-105.1157.4177.2-66.6-86000112.3L55 F103 Y105 V110 S111 V112 V132 K142 L143 L145L55-F134 HydrophobicContact CD1-CD1 4.36Å; L55-F134 HydrophobicContact CD1-CE1 3.7Å; L55-F134 HydrophobicContact CD1-CE2 3.86Å; L55-F134 HydrophobicContact CD1-CZ 3.41Å; L55-F134 VanDerWaalsContact CD1-CZ 3.41Å; L55-F134 HydrophobicContact CD2-CD1 4.32Å; L55-F134 HydrophobicContact CD2-CD2 3.8Å; L55-F134 HydrophobicContact CD2-CE1 4.41Å; L55-F134 HydrophobicContact CD2-CE2 3.87Å; L55-F134 HydrophobicContact CD2-CG 4.02Å; L55-F134 HydrophobicContact CD2-CZ 4.19Å; L55-F134 HydrophobicContact CG-CE2 4.49Å; L55-F134 HydrophobicContact CG-CZ 4.45Å; F103-F134 HydrophobicContact CB-CZ 4Å; F103-F134 HydrophobicContact CD1-CE2 4.3Å; F103-F134 HydrophobicContact CD1-CZ 4.26Å; F103-F134 HydrophobicContact CG-CE2 4.43Å; F103-F134 HydrophobicContact CG-CZ 4.09Å; Y105-F134 HydrophobicContact CD1-CE1 4.03Å; Y105-F134 HydrophobicContact CG-CE1 4.24Å; V110-F134 HydrophobicContact CB-CB 4.49Å; V110-F134 HydrophobicContact CB-CD1 4.27Å; V110-F134 HydrophobicContact CG2-CD1 3.98Å; V110-F134 HydrophobicContact CG2-CE1 4.47Å; S111-F134 CarbonylContact O-C 3.58Å; S111-F134 WeakPolarHBondContact O-CA 3.24Å; V112-F134 HydrophobicContact CG2-CD1 4.13Å; V112-F134 HydrophobicContact CG2-CE1 3.64Å; V112-F134 HydrophobicContact CG2-CZ 4.4Å; V132-F134 HydrophobicContact CB-CD2 4.28Å; V132-F134 HydrophobicContact CB-CE2 3.6Å; V132-F134 HydrophobicContact CB-CZ 4.04Å; V132-F134 HydrophobicContact CG1-CD1 4.41Å; V132-F134 HydrophobicContact CG1-CD2 3.76Å; V132-F134 HydrophobicContact CG1-CE1 3.93Å; V132-F134 HydrophobicContact CG1-CE2 3.2Å; V132-F134 HydrophobicContact CG1-CG 4.34Å; V132-F134 HydrophobicContact CG1-CZ 3.28Å; F134-K142 VanDerWaalsContact O-CA 3.29Å; F134-K142 WeakPolarHBondContact O-CA 3.47Å; F134-L143 PolarHBondContact N-O 3.38Å; F134-L143 PolarHBondContact O-N 2.92Å; F134-L145 HydrophobicContact CD2-CD1 4.08Å; F134-L145 HydrophobicContact CE2-CB 4.24Å; F134-L145 HydrophobicContact CE2-CD1 4.45Å; F134-L145 HydrophobicContact CE2-CD2 4.32Å
135S92.7Very high90.1Very high12 Ų1230.6 Ų30.68%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-128.6135.6169.2-168.60000110.1V110 S111 K142V110-S135 CarbonylContact C-O 3.5Å; V110-S135 WeakPolarHBondContact CA-O 3.41Å; S111-S135 PolarHBondContact N-O 3.22Å; S111-S135 PolarHBondContact O-N 3.43Å; S135-K142 PolarHBondContact OG-NZ 3.4Å
136A85.9Confident90.1Very high31 Ų3130.5 Ų30.526%0.25620%0.201SC..  trans-85.2146.1165.500000110.6S139A136-S139 WeakPolarHBondContact O-CB 3.43Å; A136-S139 PolarHBondContact O-N 2.65Å
137P77.7Confident90.2Very high82 Ų8229.3 Ų29.353%0.53219%0.193SC..THydrogen-bonded Turntrans-55.3139174.4-26.834.8000112.5D108 A109 S139D108-P137 WeakPolarHBondContact O-CG 3.3Å; A109-P137 WeakPolarHBondContact O-CD 3.29Å; P137-S139 PolarHBondContact O-N 3.06Å
138G62.8Low90.2Very high94 Ų9428.3 Ų28.397%0.96919%0.189SC*.THydrogen-bonded Turntrans68.2-2.8179.800000115.1
139S70.3Confident90.2Very high20 Ų2026.2 Ų26.214%0.1418%0.18CC..  trans-99.4127.4177.5-167.60000110.8A136 P137 Q141A136-S139 WeakPolarHBondContact O-CB 3.43Å; A136-S139 PolarHBondContact O-N 2.65Å; P137-S139 PolarHBondContact O-N 3.06Å; S139-Q141 PolarHBondContact O-N 3.31Å; S139-Q141 WeakPolarHBondContact OG-CB 3.44Å; S139-Q141 WeakPolarHBondContact OG-CG 3.45Å; S139-Q141 PolarHBondContact OG-N 3.41Å; S139-Q141 VanDerWaalsContact OG-N 3.08Å; S139-Q141 PolarHBondContact OG-NE2 3.32Å
140A66.3Low90.2Very high101 Ų10126.2 Ų26.284%0.83518%0.18SC*.  trans-68.9-11.3164.100000112
141Q71.6Confident90.2Very high65 Ų6526.4 Ų26.430%0.30418%0.184SC..  trans-80.1134.8-176.3-55.5165.676.800110.1S139 H277S139-Q141 PolarHBondContact O-N 3.31Å; S139-Q141 WeakPolarHBondContact OG-CB 3.44Å; S139-Q141 WeakPolarHBondContact OG-CG 3.45Å; S139-Q141 PolarHBondContact OG-N 3.41Å; S139-Q141 VanDerWaalsContact OG-N 3.08Å; S139-Q141 PolarHBondContact OG-NE2 3.32Å; Q141-H277 VanDerWaalsContact CD-CE1 3.44Å; Q141-H277 PolarHBondContact NE2-CE1 3.26Å; Q141-H277 VanDerWaalsContact NE2-CG 3.28Å; Q141-H277 PolarHBondContact NE2-ND1 3.33Å; Q141-H277 PolarHBondContact NE2-NE2 2.88Å; Q141-H277 PolarHBondContact OE1-CE1 2.6Å; Q141-H277 PolarHBondContact OE1-NE2 2.81Å
142K88.7Confident90.1Very high70 Ų7028.5 Ų28.530%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-111.5137.7175-54.4-59.5-175.4178.20107.6V113 K133 F134 S135V113-K142 HydrophobicContact CG2-CD 4.11Å; K133-K142 HydrophobicContact CD-CB 4.5Å; K133-K142 HydrophobicContact CG-CB 4.16Å; F134-K142 VanDerWaalsContact O-CA 3.29Å; F134-K142 WeakPolarHBondContact O-CA 3.47Å; S135-K142 PolarHBondContact OG-NZ 3.4Å
143L93.9Very high90Very high19 Ų1937 Ų3710%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-114.5128.917917862.6000107.9L22 I24 F134 L145 L179 L236 L274L22-L143 HydrophobicContact CD2-CD2 4.45Å; I24-L143 HydrophobicContact CD1-CD2 3.58Å; F134-L143 PolarHBondContact N-O 3.38Å; F134-L143 PolarHBondContact O-N 2.92Å; L143-L145 HydrophobicContact CD1-CD1 4.48Å; L143-L145 HydrophobicContact CD2-CD1 3.68Å; L143-L145 HydrophobicContact CG-CD1 3.6Å; L143-L179 HydrophobicContact CD1-CD1 4.31Å; L143-L179 HydrophobicContact CD1-CG 4.19Å; L143-L179 HydrophobicContact CD2-CD1 4.18Å; L143-L236 HydrophobicContact CD1-CD1 3.73Å; L143-L236 HydrophobicContact CD1-CD2 3.76Å; L143-L236 HydrophobicContact CD1-CG 4.34Å; L143-L274 HydrophobicContact CD2-CD1 3.84Å
144V98.5Very high90Very high0 Ų039.6 Ų39.60%025%0.249CC..EExtended strand (participates in β ladder)trans-102.7127.2176.71790000109.2V131 V132 K133 I146 V169 W173 T175 D177 M178 L179V131-V144 HydrophobicContact CG1-CG1 3.5Å; V132-V144 WeakPolarHBondContact O-CA 3.49Å; K133-V144 HydrophobicContact CB-CG2 4.42Å; K133-V144 HydrophobicContact CG-CG2 4.19Å; V144-I146 HydrophobicContact CG1-CD1 4.23Å; V144-I146 HydrophobicContact CG1-CG1 3.95Å; V144-V169 HydrophobicContact CB-CG1 4.44Å; V144-V169 HydrophobicContact CG1-CG1 4Å; V144-V169 HydrophobicContact CG2-CG1 4.19Å; V144-W173 HydrophobicContact CB-CZ3 4.4Å; V144-W173 HydrophobicContact CG1-CE3 4.22Å; V144-W173 HydrophobicContact CG1-CZ3 3.7Å; V144-W173 HydrophobicContact CG2-CE3 3.65Å; V144-W173 HydrophobicContact CG2-CZ3 3.8Å; V144-T175 HydrophobicContact CG2-CG2 3.79Å; V144-D177 PolarHBondContact N-O 2.99Å; V144-M178 HydrophobicContact CB-CB 4.37Å; V144-M178 HydrophobicContact CB-CG 4.18Å; V144-M178 CarbonylContact O-C 3.57Å; V144-M178 VanDerWaalsContact O-CA 3.3Å; V144-M178 WeakPolarHBondContact O-CA 3.33Å; V144-L179 PolarHBondContact O-N 2.77Å
145L98.8Very high90.1Very high0 Ų039.6 Ų39.60%025%0.249CC..EExtended strand (participates in β ladder)trans-107132.2172.2-86.667.3000109.3I24 L55 F103 V132 F134 L143 L179 L181I24-L145 HydrophobicContact CG2-CD2 3.98Å; L55-L145 HydrophobicContact CD1-CD2 4.4Å; L55-L145 HydrophobicContact CD2-CD1 3.94Å; L55-L145 HydrophobicContact CD2-CD2 3.5Å; L55-L145 VanDerWaalsContact CD2-CD2 3.5Å; L55-L145 HydrophobicContact CD2-CG 4.38Å; L55-L145 HydrophobicContact CG-CD2 3.83Å; F103-L145 HydrophobicContact CD1-CD2 4.1Å; F103-L145 HydrophobicContact CE1-CB 3.75Å; F103-L145 HydrophobicContact CE1-CD2 3.59Å; F103-L145 HydrophobicContact CE1-CG 4.3Å; F103-L145 HydrophobicContact CZ-CB 3.86Å; V132-L145 PolarHBondContact N-O 3.35Å; V132-L145 PolarHBondContact O-N 3.1Å; F134-L145 HydrophobicContact CD2-CD1 4.08Å; F134-L145 HydrophobicContact CE2-CB 4.24Å; F134-L145 HydrophobicContact CE2-CD1 4.45Å; F134-L145 HydrophobicContact CE2-CD2 4.32Å; L143-L145 HydrophobicContact CD1-CD1 4.48Å; L143-L145 HydrophobicContact CD2-CD1 3.68Å; L143-L145 HydrophobicContact CG-CD1 3.6Å; L145-L179 CarbonylContact C-O 3.58Å; L145-L179 WeakPolarHBondContact CA-O 3.3Å; L145-L179 HydrophobicContact CD1-CB 4.44Å; L145-L179 HydrophobicContact CD1-CD1 4.41Å; L145-L179 HydrophobicContact CG-CB 4.29Å; L145-L181 HydrophobicContact CB-CD2 4.01Å; L145-L181 HydrophobicContact CD2-CD1 3.94Å; L145-L181 HydrophobicContact CD2-CD2 4.24Å; L145-L181 HydrophobicContact CG-CD1 4.41Å; L145-L181 HydrophobicContact CG-CD2 4.01Å
146I98.9Very high90.4Very high0 Ų041 Ų410%026%0.258CS..EExtended strand (participates in β ladder)trans-125.4101.9-175.6-60.1163.2000107.3P129 V131 V144 L162 V165 V169 M178 L179 F180 L181P129-I146 HydrophobicContact CB-CG2 3.94Å; V131-I146 HydrophobicContact CG1-CG1 3.96Å; V131-I146 HydrophobicContact CG2-CG1 4.22Å; V131-I146 HydrophobicContact CG2-CG2 4.39Å; V144-I146 HydrophobicContact CG1-CD1 4.23Å; V144-I146 HydrophobicContact CG1-CG1 3.95Å; I146-L162 HydrophobicContact CG2-CD2 4.06Å; I146-V165 HydrophobicContact CD1-CG1 4.36Å; I146-V165 HydrophobicContact CG2-CG1 3.8Å; I146-V169 HydrophobicContact CD1-CG2 4.02Å; I146-M178 HydrophobicContact CD1-CB 4.06Å; I146-M178 HydrophobicContact CD1-CG 4.35Å; I146-M178 HydrophobicContact CD1-SD 3.64Å; I146-L179 PolarHBondContact N-O 3.48Å; I146-F180 HydrophobicContact CB-CD1 3.74Å; I146-F180 HydrophobicContact CB-CE1 4.05Å; I146-F180 HydrophobicContact CB-CG 4.38Å; I146-F180 HydrophobicContact CD1-CD1 3.85Å; I146-F180 HydrophobicContact CD1-CE1 3.28Å; I146-F180 HydrophobicContact CD1-CE2 4.26Å; I146-F180 HydrophobicContact CD1-CZ 3.46Å; I146-F180 VanDerWaalsContact CD1-CZ 3.46Å; I146-F180 HydrophobicContact CG1-CD1 4.4Å; I146-F180 HydrophobicContact CG1-CE1 4.24Å; I146-F180 HydrophobicContact CG2-CD1 3.69Å; I146-F180 HydrophobicContact CG2-CE1 3.93Å; I146-F180 VanDerWaalsContact O-CA 3.32Å; I146-F180 WeakPolarHBondContact O-CA 3.35Å; I146-L181 PolarHBondContact O-N 2.66Å; I146-L181 VanDerWaalsContact O-N 3.1Å
147P98.9Very high91Very high0 Ų041.9 Ų41.90%027%0.265CS..EExtended strand (participates in β ladder)trans-79.3147.1-178.934.3-34.1000110.9L57 Y101 F103 P129 F130 L181L57-P147 HydrophobicContact CD1-CB 3.65Å; L57-P147 HydrophobicContact CD1-CG 4.48Å; L57-P147 HydrophobicContact CD2-CB 3.49Å; L57-P147 VanDerWaalsContact CD2-CB 3.49Å; L57-P147 HydrophobicContact CG-CB 4.22Å; Y101-P147 HydrophobicContact CD1-CB 3.69Å; Y101-P147 HydrophobicContact CD1-CG 4.04Å; Y101-P147 HydrophobicContact CD2-CB 4.41Å; Y101-P147 HydrophobicContact CD2-CG 3.89Å; Y101-P147 HydrophobicContact CE1-CB 3.91Å; Y101-P147 HydrophobicContact CE1-CG 4.39Å; Y101-P147 HydrophobicContact CE2-CG 4.25Å; Y101-P147 HydrophobicContact CG-CB 3.95Å; Y101-P147 HydrophobicContact CG-CG 3.76Å; F103-P147 HydrophobicContact CE2-CG 4.03Å; F103-P147 HydrophobicContact CZ-CB 4.12Å; F103-P147 HydrophobicContact CZ-CG 4Å; P129-P147 WeakPolarHBondContact CB-O 3.23Å; F130-P147 HydrophobicContact CB-CG 4.14Å; F130-P147 WeakPolarHBondContact O-CD 3.4Å; F130-P147 VanDerWaalsContact O-CG 3.24Å; F130-P147 WeakPolarHBondContact O-CG 3.43Å; P147-L181 VanDerWaalsContact CA-O 3.31Å; P147-L181 WeakPolarHBondContact CA-O 3.17Å
148L98.9Very high92Very high0 Ų038 Ų380%024%0.239CC..  trans-141.5123.2162.5173.967.5000109Q59 F125 A150 E158 I159 L162 L181 G182 D183 F184Q59-L148 PolarHBondContact NE2-O 2.75Å; F125-L148 HydrophobicContact CD1-CD1 3.71Å; F125-L148 HydrophobicContact CE1-CD1 3.94Å; L148-A150 HydrophobicContact CD1-CB 4.39Å; L148-A150 HydrophobicContact CD2-CB 4.01Å; L148-A150 HydrophobicContact CG-CB 4.04Å; L148-E158 HydrophobicContact CD1-CB 4.35Å; L148-E158 HydrophobicContact CD2-CB 4.28Å; L148-I159 HydrophobicContact CD2-CG1 4.24Å; L148-L162 HydrophobicContact CB-CD1 4.07Å; L148-L162 HydrophobicContact CB-CD2 4.29Å; L148-L162 HydrophobicContact CD2-CD1 3.6Å; L148-L162 HydrophobicContact CD2-CD2 4.41Å; L148-L162 HydrophobicContact CD2-CG 3.94Å; L148-L162 HydrophobicContact CG-CD1 4.46Å; L148-L181 PolarHBondContact N-O 3.49Å; L148-G182 CarbonylContact O-C 3.37Å; L148-D183 CarbonylContact O-C 3.54Å; L148-D183 PolarHBondContact O-N 3.1Å; L148-F184 HydrophobicContact CB-CD1 3.86Å; L148-F184 HydrophobicContact CB-CE1 3.59Å; L148-F184 HydrophobicContact CB-CZ 4.37Å; L148-F184 HydrophobicContact CD2-CD1 4.11Å; L148-F184 HydrophobicContact CD2-CE1 4.37Å; L148-F184 HydrophobicContact CD2-CG 4.36Å; L148-F184 HydrophobicContact CG-CD1 4.16Å; L148-F184 HydrophobicContact CG-CE1 4.35Å; L148-F184 WeakPolarHBondContact O-CD1 3.23Å
149H98.9Very high93.7Very high10 Ų1033.5 Ų33.55%0.04619%0.193CC..  trans-103.497.9158.9177.7-160.8000105.9Q59 E60 E99 Y101 R127 D183Q59-H149 HydrophobicContact CB-CB 4.4Å; E60-H149 VanDerWaalsContact CG-CE1 3.49Å; E60-H149 WeakPolarHBondContact CG-CE1 3.24Å; E60-H149 IonicContact OE1-CE1 3.78Å; E60-H149 IonicContact OE1-NE2 3.41Å; E99-H149 IonicContact OE1-CE1 3.56Å; E99-H149 IonicContact OE1-ND1 2.81Å; E99-H149 IonicContact OE2-CE1 3.62Å; E99-H149 PolarHBondContact OE2-CE1 3.43Å; E99-H149 VanDerWaalsContact OE2-CE1 3.29Å; E99-H149 IonicContact OE2-CG 3.61Å; E99-H149 IonicContact OE2-ND1 3.23Å; E99-H149 PolarHBondContact OE2-ND1 2.96Å; Y101-H149 HydrophobicContact CE1-CB 3.9Å; Y101-H149 PolarHBondContact OH-N 2.86Å; R127-H149 VanDerWaalsContact CZ-ND1 3.3Å; R127-H149 VanDerWaalsContact CZ-O 3.22Å; R127-H149 PolarHBondContact NE-O 3Å; R127-H149 PolarHBondContact NH1-ND1 3.32Å; R127-H149 PolarHBondContact NH2-O 3.44Å; H149-D183 CarbonylContact C-O 3.54Å; H149-D183 VanDerWaalsContact CA-O 3.24Å; H149-D183 WeakPolarHBondContact CA-O 3.38Å; H149-D183 IonicContact CD2-OD2 3.44Å; H149-D183 PolarHBondContact CD2-OD2 3.35Å; H149-D183 IonicContact NE2-OD2 3.97Å; H149-D183 PolarHBondContact NE2-OD2 3.26Å
150A98.7Very high95.1Very high0 Ų034.1 Ų34.10%020%0.195CC..  trans-74.9141.5-170.100000111.3R127 L148 P152 A155 E158 D183 F184 N185R127-A150 VanDerWaalsContact NH2-C 3.3Å; R127-A150 PolarHBondContact NH2-O 2.96Å; L148-A150 HydrophobicContact CD1-CB 4.39Å; L148-A150 HydrophobicContact CD2-CB 4.01Å; L148-A150 HydrophobicContact CG-CB 4.04Å; A150-P152 WeakPolarHBondContact O-CD 3.49Å; A150-A155 HydrophobicContact CB-CB 4.39Å; A150-E158 WeakPolarHBondContact CA-OE2 3.49Å; A150-E158 HydrophobicContact CB-CB 4.42Å; A150-D183 PolarHBondContact N-O 2.81Å; A150-F184 VanDerWaalsContact CB-O 3.26Å; A150-F184 WeakPolarHBondContact CB-O 3.22Å; A150-N185 PolarHBondContact O-ND2 2.79Å
151A98.3Very high96.6Very high18 Ų1829.7 Ų29.715%0.14916%0.158CC..  trans-65.9125.6167.700000109.2H153 Q154 A155 E158A151-H153 VanDerWaalsContact C-N 3.3Å; A151-H153 PolarHBondContact O-N 3.14Å; A151-H153 VanDerWaalsContact O-N 3.12Å; A151-Q154 HydrophobicContact CB-CB 4.3Å; A151-Q154 CarbonylContact O-C 3.36Å; A151-Q154 WeakPolarHBondContact O-CA 3.23Å; A151-Q154 PolarHBondContact O-N 3.08Å; A151-A155 PolarHBondContact O-N 2.93Å; A151-E158 PolarHBondContact N-OE2 3.36Å
152P97.8Very high97.9Very high43 Ų4326.6 Ų26.628%0.27914%0.144SC..G310 helixtrans-56.4-40.2-167.9-27.431.5000114.6A150 Q154 N185 Y190A150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-Q154 VanDerWaalsContact C-N 3.28Å; P152-Q154 PolarHBondContact O-N 2.99Å; P152-N185 HydrophobicContact CB-CB 4.46Å; P152-Y190 HydrophobicContact CB-CD1 3.76Å; P152-Y190 HydrophobicContact CB-CD2 4.07Å; P152-Y190 HydrophobicContact CB-CE1 3.55Å; P152-Y190 HydrophobicContact CB-CE2 3.87Å; P152-Y190 HydrophobicContact CB-CG 4.03Å; P152-Y190 WeakPolarHBondContact O-CB 3.32Å
153H97.2Very high98.4Very high178 Ų17826 Ų2682%0.82414%0.14SC*.G310 helixtrans-81.8-3.1179.1-62.4-54.9000114.4A151A151-H153 VanDerWaalsContact C-N 3.3Å; A151-H153 PolarHBondContact O-N 3.14Å; A151-H153 VanDerWaalsContact O-N 3.12Å
154Q98.2Very high98.6Very high87 Ų8727.6 Ų27.641%0.40715%0.149SC..G310 helixtrans-119.79.1172.8-58.6-149-10.500112.9A151 P152 V156 A157 E158A151-Q154 HydrophobicContact CB-CB 4.3Å; A151-Q154 CarbonylContact O-C 3.36Å; A151-Q154 WeakPolarHBondContact O-CA 3.23Å; A151-Q154 PolarHBondContact O-N 3.08Å; P152-Q154 VanDerWaalsContact C-N 3.28Å; P152-Q154 PolarHBondContact O-N 2.99Å; Q154-V156 VanDerWaalsContact C-N 3.29Å; Q154-V156 PolarHBondContact O-N 2.83Å; Q154-V156 VanDerWaalsContact O-N 3.15Å; Q154-A157 PolarHBondContact O-N 2.53Å; Q154-E158 HydrophobicContact CB-CG 4.2Å; Q154-E158 PolarHBondContact O-N 3.06Å
155A98.8Very high98.7Very high1 Ų127.6 Ų27.61%0.00815%0.149CC..Hα-helixtrans-50.3-45.7-175.200000112.8A150 A151 A157 E158 I159 N185 V191A150-A155 HydrophobicContact CB-CB 4.39Å; A151-A155 PolarHBondContact O-N 2.93Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 2.84Å; A155-E158 PolarHBondContact O-N 2.97Å; A155-I159 HydrophobicContact CB-CD1 4.35Å; A155-I159 VanDerWaalsContact O-CB 3.32Å; A155-I159 WeakPolarHBondContact O-CB 3.43Å; A155-I159 VanDerWaalsContact O-CD1 3.29Å; A155-I159 WeakPolarHBondContact O-CD1 3.31Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.33Å; A155-N185 HydrophobicContact CB-CB 3.98Å; A155-V191 HydrophobicContact CB-CG2 3.79Å
156V98.8Very high98.7Very high42 Ų4228.8 Ų28.826%0.25515%0.153SC..Hα-helixtrans-57-45.6177.4178.10000112.1Q154 D160 V191 D195 I199Q154-V156 VanDerWaalsContact C-N 3.29Å; Q154-V156 PolarHBondContact O-N 2.83Å; Q154-V156 VanDerWaalsContact O-N 3.15Å; V156-D160 WeakPolarHBondContact O-CB 3.32Å; V156-D160 PolarHBondContact O-N 3.41Å; V156-D160 VanDerWaalsContact O-N 3.14Å; V156-V191 HydrophobicContact CG2-CG1 4.42Å; V156-V191 HydrophobicContact CG2-CG2 4Å; V156-D195 HydrophobicContact CG1-CB 4.35Å; V156-D195 HydrophobicContact CG2-CB 3.81Å; V156-I199 HydrophobicContact CG1-CD1 4.27Å; V156-I199 HydrophobicContact CG1-CG1 4.04Å
157A98.8Very high98.6Very high49 Ų4932.5 Ų32.541%0.40517%0.173SC..Hα-helixtrans-72.9-44.1-17800000111.9Q154 A155 D160 A161Q154-A157 PolarHBondContact O-N 2.53Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 2.84Å; A157-D160 PolarHBondContact O-N 3.07Å; A157-A161 WeakPolarHBondContact O-CB 3.5Å; A157-A161 PolarHBondContact O-N 2.92Å
158E98.9Very high98.6Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-68.1-40.6-179.5-66.9-170.7-175.400111.8F125 S126 L148 A150 A151 Q154 A155 A161 L162F125-E158 HydrophobicContact CD1-CB 3.92Å; F125-E158 HydrophobicContact CD1-CG 4.04Å; F125-E158 HydrophobicContact CE1-CB 4.1Å; F125-E158 WeakPolarHBondContact CE1-O 3.37Å; S126-E158 WeakPolarHBondContact CB-OE1 3.24Å; S126-E158 PolarHBondContact N-OE1 3.1Å; L148-E158 HydrophobicContact CD1-CB 4.35Å; L148-E158 HydrophobicContact CD2-CB 4.28Å; A150-E158 WeakPolarHBondContact CA-OE2 3.49Å; A150-E158 HydrophobicContact CB-CB 4.42Å; A151-E158 PolarHBondContact N-OE2 3.36Å; Q154-E158 HydrophobicContact CB-CG 4.2Å; Q154-E158 PolarHBondContact O-N 3.06Å; A155-E158 PolarHBondContact O-N 2.97Å; E158-A161 PolarHBondContact O-N 3.45Å; E158-L162 PolarHBondContact O-N 3.39Å
159I98.9Very high98.6Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-65.9-39.6174.8-59.1161.9000110.6L148 A155 A161 L162 F184 A186 V191 I199 L201 W209L148-I159 HydrophobicContact CD2-CG1 4.24Å; A155-I159 HydrophobicContact CB-CD1 4.35Å; A155-I159 VanDerWaalsContact O-CB 3.32Å; A155-I159 WeakPolarHBondContact O-CB 3.43Å; A155-I159 VanDerWaalsContact O-CD1 3.29Å; A155-I159 WeakPolarHBondContact O-CD1 3.31Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.33Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-L162 WeakPolarHBondContact O-CB 3.37Å; I159-L162 PolarHBondContact O-N 2.97Å; I159-F184 HydrophobicContact CD1-CB 4.04Å; I159-F184 WeakPolarHBondContact CD1-O 3.22Å; I159-F184 HydrophobicContact CG1-CB 4.03Å; I159-F184 HydrophobicContact CG1-CD2 4.24Å; I159-F184 HydrophobicContact CG1-CG 4.36Å; I159-F184 HydrophobicContact CG2-CD2 4.38Å; I159-A186 HydrophobicContact CD1-CB 3.82Å; I159-V191 HydrophobicContact CD1-CG2 3.91Å; I159-I199 HydrophobicContact CB-CG2 4.14Å; I159-I199 HydrophobicContact CG2-CG2 3.51Å; I159-L201 HydrophobicContact CG2-CB 4.39Å; I159-L201 HydrophobicContact CG2-CD2 4.04Å; I159-W209 HydrophobicContact CG2-CH2 3.95Å; I159-W209 HydrophobicContact CG2-CZ2 4.1Å
160D98.9Very high98.6Very high33 Ų3336.7 Ų36.718%0.17620%0.195CC..Hα-helixtrans-61.1-44175.1-179.763.7000111.5V156 A157 L162 Y163 R200V156-D160 WeakPolarHBondContact O-CB 3.32Å; V156-D160 PolarHBondContact O-N 3.41Å; V156-D160 VanDerWaalsContact O-N 3.14Å; A157-D160 PolarHBondContact O-N 3.07Å; D160-L162 PolarHBondContact O-N 2.97Å; D160-Y163 WeakPolarHBondContact O-CB 3.31Å; D160-Y163 PolarHBondContact O-N 3.11Å; D160-R200 VanDerWaalsContact OD1-CB 3.27Å; D160-R200 WeakPolarHBondContact OD1-CB 3.29Å; D160-R200 VanDerWaalsContact OD1-CG 3.27Å; D160-R200 WeakPolarHBondContact OD1-CG 3.39Å; D160-R200 IonicContact OD1-CZ 2.75Å; D160-R200 PolarHBondContact OD1-N 2.99Å; D160-R200 IonicContact OD1-NE 2.76Å; D160-R200 PolarHBondContact OD1-NE 2.66Å; D160-R200 IonicContact OD1-NH2 3.94Å; D160-R200 IonicContact OD2-CZ 3.4Å; D160-R200 IonicContact OD2-NE 2.68Å; D160-R200 PolarHBondContact OD2-NE 3.17Å; D160-R200 VanDerWaalsContact OD2-NE 3.16Å; D160-R200 IonicContact OD2-NH2 2.82Å; D160-R200 PolarHBondContact OD2-NH2 3.28Å
161A98.9Very high98.5Very high8 Ų843.6 Ų43.67%0.06623%0.232CC..Hα-helixtrans-65-19.2-179.500000114V124 F125 A157 E158 I159 Y163 D164 V165V124-A161 HydrophobicContact CB-CB 4.44Å; V124-A161 HydrophobicContact CG1-CB 3.7Å; F125-A161 HydrophobicContact CE1-CB 4.12Å; F125-A161 HydrophobicContact CE2-CB 3.93Å; F125-A161 HydrophobicContact CZ-CB 3.5Å; A157-A161 WeakPolarHBondContact O-CB 3.5Å; A157-A161 PolarHBondContact O-N 2.92Å; E158-A161 PolarHBondContact O-N 3.45Å; I159-A161 VanDerWaalsContact C-N 3.34Å; A161-Y163 PolarHBondContact O-N 3.1Å; A161-Y163 VanDerWaalsContact O-N 3.15Å; A161-D164 WeakPolarHBondContact O-CB 3.26Å; A161-D164 PolarHBondContact O-N 3.18Å; A161-V165 PolarHBondContact O-N 2.88Å
162L98.9Very high98.5Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-60.2-21.4169.2-72-179.3000112.9F125 P129 I146 L148 E158 I159 D160 D164 V165 Y166 F180 F184 L201F125-L162 HydrophobicContact CE1-CD2 4.13Å; F125-L162 HydrophobicContact CE1-CG 4.41Å; F125-L162 HydrophobicContact CZ-CD2 4.17Å; P129-L162 HydrophobicContact CG-CD2 3.95Å; I146-L162 HydrophobicContact CG2-CD2 4.06Å; L148-L162 HydrophobicContact CB-CD1 4.07Å; L148-L162 HydrophobicContact CB-CD2 4.29Å; L148-L162 HydrophobicContact CD2-CD1 3.6Å; L148-L162 HydrophobicContact CD2-CD2 4.41Å; L148-L162 HydrophobicContact CD2-CG 3.94Å; L148-L162 HydrophobicContact CG-CD1 4.46Å; E158-L162 PolarHBondContact O-N 3.39Å; I159-L162 WeakPolarHBondContact O-CB 3.37Å; I159-L162 PolarHBondContact O-N 2.97Å; D160-L162 PolarHBondContact O-N 2.97Å; L162-D164 VanDerWaalsContact C-N 3.28Å; L162-V165 HydrophobicContact CD2-CB 4.49Å; L162-V165 HydrophobicContact CD2-CG2 4.19Å; L162-V165 PolarHBondContact O-N 2.73Å; L162-Y166 PolarHBondContact O-N 3.38Å; L162-F180 HydrophobicContact CB-CD1 4.06Å; L162-F180 HydrophobicContact CB-CE1 4.25Å; L162-F180 HydrophobicContact CD1-CB 4.4Å; L162-F180 HydrophobicContact CD1-CD1 4.08Å; L162-F180 HydrophobicContact CD2-CD1 4.14Å; L162-F180 HydrophobicContact CG-CD1 4.34Å; L162-F184 HydrophobicContact CD1-CE1 4.32Å; L162-F184 HydrophobicContact CD1-CE2 3.84Å; L162-F184 HydrophobicContact CD1-CZ 3.7Å; L162-L201 HydrophobicContact CB-CD1 3.95Å; L162-L201 HydrophobicContact CB-CD2 3.88Å; L162-L201 HydrophobicContact CB-CG 4.42Å; L162-L201 HydrophobicContact CD1-CD2 3.77Å; L162-L201 HydrophobicContact CG-CD2 4.49Å
163Y98.8Very high98.5Very high59 Ų5947.1 Ų47.123%0.23124%0.238CC..Hα-helixtrans-62.9-36.2169.4-174.9-87.7000112.1D160 A161 Y166 L167 R200 F207D160-Y163 WeakPolarHBondContact O-CB 3.31Å; D160-Y163 PolarHBondContact O-N 3.11Å; A161-Y163 PolarHBondContact O-N 3.1Å; A161-Y163 VanDerWaalsContact O-N 3.15Å; Y163-Y166 VanDerWaalsContact O-CB 3.31Å; Y163-Y166 WeakPolarHBondContact O-CB 3.32Å; Y163-Y166 PolarHBondContact O-N 3.21Å; Y163-L167 HydrophobicContact CD1-CD1 4.18Å; Y163-L167 HydrophobicContact CD1-CG 4.39Å; Y163-L167 HydrophobicContact CE1-CD1 3.75Å; Y163-L167 HydrophobicContact CE1-CD2 4.38Å; Y163-L167 HydrophobicContact CE1-CG 4.06Å; Y163-L167 WeakPolarHBondContact O-CG 3.49Å; Y163-L167 PolarHBondContact O-N 3.29Å; Y163-R200 HydrophobicContact CD1-CB 4.4Å; Y163-R200 HydrophobicContact CD2-CB 3.69Å; Y163-R200 HydrophobicContact CE2-CB 4.42Å; Y163-R200 HydrophobicContact CG-CB 3.69Å; Y163-F207 AromaticContact CD2-CE2 3.57Å; Y163-F207 HydrophobicContact CD2-CE2 3.57Å; Y163-F207 AromaticContact CD2-CZ 3.88Å; Y163-F207 HydrophobicContact CD2-CZ 3.88Å; Y163-F207 AromaticContact CE2-CE2 3.84Å; Y163-F207 HydrophobicContact CE2-CE2 3.84Å; Y163-F207 HydrophobicContact CE2-CZ 4.25Å
164D98.8Very high98.5Very high51 Ų5142 Ų4227%0.27323%0.233SC..Hα-helixtrans-76.5-34.3179.1-57.4-44.7000110.5A161 L162 Y166 L167 D168 R200A161-D164 WeakPolarHBondContact O-CB 3.26Å; A161-D164 PolarHBondContact O-N 3.18Å; L162-D164 VanDerWaalsContact C-N 3.28Å; D164-Y166 VanDerWaalsContact C-N 3.31Å; D164-Y166 PolarHBondContact O-N 2.74Å; D164-L167 PolarHBondContact O-N 2.79Å; D164-L167 VanDerWaalsContact O-N 3.14Å; D164-D168 PolarHBondContact O-N 3.29Å; D164-R200 IonicContact OD1-CZ 3.99Å; D164-R200 IonicContact OD1-NH1 3.29Å; D164-R200 PolarHBondContact OD1-NH1 2.96Å; D164-R200 IonicContact OD1-NH2 3.78Å; D164-R200 IonicContact OD2-CZ 2.91Å; D164-R200 IonicContact OD2-NH1 3.71Å; D164-R200 PolarHBondContact OD2-NH1 3.29Å; D164-R200 IonicContact OD2-NH2 3.03Å; D164-R200 PolarHBondContact OD2-NH2 3.09Å
165V98.8Very high98.3Very high0 Ų038.9 Ų38.90%022%0.221CC..Hα-helixtrans-60.9-40.4168.9-173.90000111.4Y118 F125 P129 V131 I146 A161 L162 L167 D168 V169Y118-V165 HydrophobicContact CD1-CG2 3.94Å; Y118-V165 HydrophobicContact CD2-CB 4.25Å; Y118-V165 HydrophobicContact CD2-CG1 4.03Å; Y118-V165 HydrophobicContact CD2-CG2 3.91Å; Y118-V165 HydrophobicContact CE1-CG2 3.96Å; Y118-V165 HydrophobicContact CE2-CB 4.28Å; Y118-V165 HydrophobicContact CE2-CG2 3.93Å; Y118-V165 HydrophobicContact CG-CG1 4.4Å; Y118-V165 HydrophobicContact CG-CG2 3.91Å; F125-V165 HydrophobicContact CE2-CG2 3.95Å; F125-V165 HydrophobicContact CZ-CG2 3.83Å; P129-V165 HydrophobicContact CG-CG2 4.18Å; V131-V165 HydrophobicContact CG2-CG1 4.13Å; I146-V165 HydrophobicContact CD1-CG1 4.36Å; I146-V165 HydrophobicContact CG2-CG1 3.8Å; A161-V165 PolarHBondContact O-N 2.88Å; L162-V165 HydrophobicContact CD2-CB 4.49Å; L162-V165 HydrophobicContact CD2-CG2 4.19Å; L162-V165 PolarHBondContact O-N 2.73Å; V165-L167 VanDerWaalsContact C-N 3.32Å; V165-L167 PolarHBondContact O-N 3.39Å; V165-D168 PolarHBondContact O-N 2.81Å; V165-V169 HydrophobicContact CG1-CG2 4.45Å; V165-V169 WeakPolarHBondContact O-CG2 3.11Å; V165-V169 PolarHBondContact O-N 2.83Å
166Y98.7Very high98.1Very high25 Ų2541.8 Ų41.810%0.09824%0.236CC..Hα-helixtrans-56.6-44.8172.6162.1-104.4000112L162 Y163 D164 I170 M178 F180 V206 F207 C232L162-Y166 PolarHBondContact O-N 3.38Å; Y163-Y166 VanDerWaalsContact O-CB 3.31Å; Y163-Y166 WeakPolarHBondContact O-CB 3.32Å; Y163-Y166 PolarHBondContact O-N 3.21Å; D164-Y166 VanDerWaalsContact C-N 3.31Å; D164-Y166 PolarHBondContact O-N 2.74Å; Y166-I170 HydrophobicContact CD1-CD1 4.34Å; Y166-I170 HydrophobicContact CD2-CD1 4.15Å; Y166-I170 HydrophobicContact CE1-CD1 3.69Å; Y166-I170 HydrophobicContact CE2-CD1 3.46Å; Y166-I170 VanDerWaalsContact CE2-CD1 3.46Å; Y166-I170 HydrophobicContact CE2-CG1 4.22Å; Y166-I170 WeakPolarHBondContact O-CG1 3.36Å; Y166-I170 PolarHBondContact O-N 2.9Å; Y166-I170 VanDerWaalsContact O-N 3.15Å; Y166-I170 VanDerWaalsContact OH-CD1 3.27Å; Y166-I170 WeakPolarHBondContact OH-CD1 2.96Å; Y166-M178 HydrophobicContact CD2-CE 3.73Å; Y166-M178 HydrophobicContact CD2-SD 3.77Å; Y166-M178 HydrophobicContact CE2-CE 4.12Å; Y166-M178 WeakPolarHBondContact O-CE 3.17Å; Y166-F180 HydrophobicContact CD2-CZ 4.39Å; Y166-V206 HydrophobicContact CE1-CG1 4.42Å; Y166-V206 HydrophobicContact CE2-CG1 4.17Å; Y166-F207 HydrophobicContact CD1-CE1 4.39Å; Y166-F207 AromaticContact CD1-CZ 3.74Å; Y166-F207 HydrophobicContact CD1-CZ 3.74Å; Y166-F207 AromaticContact CD2-CE1 3.9Å; Y166-F207 HydrophobicContact CD2-CE1 3.9Å; Y166-F207 HydrophobicContact CD2-CZ 4.08Å; Y166-F207 HydrophobicContact CE1-CZ 4.17Å; Y166-F207 HydrophobicContact CE2-CE1 4.38Å; Y166-F207 HydrophobicContact CE2-CZ 4.47Å; Y166-F207 AromaticContact CG-CE1 3.89Å; Y166-F207 HydrophobicContact CG-CE1 3.89Å; Y166-F207 AromaticContact CG-CZ 3.68Å; Y166-F207 HydrophobicContact CG-CZ 3.68Å; Y166-C232 HydrophobicContact CE2-CB 4.42Å
167L98.5Very high98Very high78 Ų7840.4 Ų40.441%0.40823%0.227SC..Hα-helixtrans-66.7-41.6178.3-64.7-179.7000112Y163 D164 V165 I170 D171Y163-L167 HydrophobicContact CD1-CD1 4.18Å; Y163-L167 HydrophobicContact CD1-CG 4.39Å; Y163-L167 HydrophobicContact CE1-CD1 3.75Å; Y163-L167 HydrophobicContact CE1-CD2 4.38Å; Y163-L167 HydrophobicContact CE1-CG 4.06Å; Y163-L167 WeakPolarHBondContact O-CG 3.49Å; Y163-L167 PolarHBondContact O-N 3.29Å; D164-L167 PolarHBondContact O-N 2.79Å; D164-L167 VanDerWaalsContact O-N 3.14Å; V165-L167 VanDerWaalsContact C-N 3.32Å; V165-L167 PolarHBondContact O-N 3.39Å; L167-I170 WeakPolarHBondContact O-CB 3.35Å; L167-I170 PolarHBondContact O-N 3.21Å; L167-D171 PolarHBondContact O-N 2.76Å
168D98.7Very high98Very high42 Ų4238 Ų3823%0.22521%0.208CC..Hα-helixtrans-61.6-43.7177.2175.275.5000112.1Y116 Y118 D164 V165 I170 D171 K172Y116-D168 WeakPolarHBondContact CE2-OD2 3.47Å; Y116-D168 VanDerWaalsContact CZ-OD2 3.23Å; Y116-D168 PolarHBondContact OH-OD2 2.92Å; Y118-D168 HydrophobicContact CD2-CB 4.18Å; Y118-D168 HydrophobicContact CE2-CB 3.63Å; D164-D168 PolarHBondContact O-N 3.29Å; V165-D168 PolarHBondContact O-N 2.81Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 PolarHBondContact O-N 3.36Å; D168-D171 PolarHBondContact O-N 3.37Å; D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 2.82Å
169V98.5Very high98Very high0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-64-37.8176.1175.10000111.5Y116 V131 V144 I146 V165 W173 T175 M178Y116-V169 WeakPolarHBondContact OH-CG2 3.34Å; V131-V169 HydrophobicContact CG1-CG2 3.91Å; V144-V169 HydrophobicContact CB-CG1 4.44Å; V144-V169 HydrophobicContact CG1-CG1 4Å; V144-V169 HydrophobicContact CG2-CG1 4.19Å; I146-V169 HydrophobicContact CD1-CG2 4.02Å; V165-V169 HydrophobicContact CG1-CG2 4.45Å; V165-V169 WeakPolarHBondContact O-CG2 3.11Å; V165-V169 PolarHBondContact O-N 2.83Å; V169-W173 HydrophobicContact CG1-CE3 3.85Å; V169-W173 HydrophobicContact CG1-CZ3 4.42Å; V169-W173 PolarHBondContact O-N 2.71Å; V169-T175 HydrophobicContact CG1-CG2 4.41Å; V169-M178 HydrophobicContact CB-CE 3.48Å; V169-M178 VanDerWaalsContact CB-CE 3.48Å; V169-M178 HydrophobicContact CB-SD 3.79Å; V169-M178 HydrophobicContact CG1-CE 3.29Å; V169-M178 HydrophobicContact CG1-CG 4.34Å; V169-M178 HydrophobicContact CG1-SD 3.68Å; V169-M178 HydrophobicContact CG2-SD 4.33Å
170I98.1Very high98Very high57 Ų5738 Ų3829%0.29221%0.208SC..Hα-helixtrans-61.1-48.8174.2-76.2176.7000110.6Y166 L167 D168 G174 T175 M178Y166-I170 HydrophobicContact CD1-CD1 4.34Å; Y166-I170 HydrophobicContact CD2-CD1 4.15Å; Y166-I170 HydrophobicContact CE1-CD1 3.69Å; Y166-I170 HydrophobicContact CE2-CD1 3.46Å; Y166-I170 VanDerWaalsContact CE2-CD1 3.46Å; Y166-I170 HydrophobicContact CE2-CG1 4.22Å; Y166-I170 WeakPolarHBondContact O-CG1 3.36Å; Y166-I170 PolarHBondContact O-N 2.9Å; Y166-I170 VanDerWaalsContact O-N 3.15Å; Y166-I170 VanDerWaalsContact OH-CD1 3.27Å; Y166-I170 WeakPolarHBondContact OH-CD1 2.96Å; L167-I170 WeakPolarHBondContact O-CB 3.35Å; L167-I170 PolarHBondContact O-N 3.21Å; D168-I170 VanDerWaalsContact C-N 3.31Å; D168-I170 PolarHBondContact O-N 3.36Å; I170-G174 WeakPolarHBondContact O-CA 3.48Å; I170-G174 PolarHBondContact O-N 3Å; I170-T175 WeakPolarHBondContact CG1-O 3.12Å; I170-M178 HydrophobicContact CG1-CE 3.73Å
171D98.3Very high98Very high144 Ų14436.5 Ų36.577%0.7720%0.199SC*.Hα-helixtrans-62.4-47179.9-17469.8000111.2L167 D168L167-D171 PolarHBondContact O-N 2.76Å; D168-D171 PolarHBondContact O-N 3.37Å
172K98.2Very high98Very high98 Ų9836.1 Ų36.143%0.42620%0.196SC..Hα-helixtrans-69.1-43.3-175.8-171.8-175.4179.368.60113.7Y116 D168Y116-K172 HydrophobicContact CD1-CD 3.74Å; Y116-K172 VanDerWaalsContact CD1-CE 3.45Å; Y116-K172 HydrophobicContact CD2-CD 4.28Å; Y116-K172 HydrophobicContact CE1-CD 3.45Å; Y116-K172 VanDerWaalsContact CE1-CD 3.45Å; Y116-K172 HydrophobicContact CE2-CD 4.01Å; Y116-K172 HydrophobicContact CG-CD 4.15Å; D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 2.82Å
173W97.4Very high98Very high37 Ų3736.2 Ų36.214%0.1420%0.197CC..Hα-helixtrans-122.8-3.4-168.3-73.6-23.2000114.8D114 Y116 V131 K133 V144 V169 T175D114-W173 HydrophobicContact CB-CZ2 3.85Å; D114-W173 PolarHBondContact OD2-NE1 2.76Å; Y116-W173 AromaticContact CD1-CH2 3.54Å; Y116-W173 HydrophobicContact CD1-CH2 3.54Å; Y116-W173 AromaticContact CD1-CZ2 3.55Å; Y116-W173 HydrophobicContact CD1-CZ2 3.55Å; Y116-W173 HydrophobicContact CD1-CZ3 4.39Å; Y116-W173 HydrophobicContact CE1-CE3 4.44Å; Y116-W173 AromaticContact CE1-CH2 3.49Å; Y116-W173 HydrophobicContact CE1-CH2 3.49Å; Y116-W173 VanDerWaalsContact CE1-CH2 3.49Å; Y116-W173 AromaticContact CE1-CZ2 3.74Å; Y116-W173 HydrophobicContact CE1-CZ2 3.74Å; Y116-W173 AromaticContact CE1-CZ3 3.88Å; Y116-W173 HydrophobicContact CE1-CZ3 3.88Å; V131-W173 HydrophobicContact CG1-CH2 3.83Å; V131-W173 HydrophobicContact CG1-CZ3 3.54Å; K133-W173 HydrophobicContact CB-CE3 4.12Å; K133-W173 HydrophobicContact CB-CH2 3.71Å; K133-W173 HydrophobicContact CB-CZ2 4.12Å; K133-W173 HydrophobicContact CB-CZ3 3.7Å; K133-W173 HydrophobicContact CD-CD2 3.87Å; K133-W173 HydrophobicContact CD-CE3 4Å; K133-W173 HydrophobicContact CD-CG 4.22Å; K133-W173 HydrophobicContact CD-CZ3 4.42Å; K133-W173 HydrophobicContact CG-CE3 4.39Å; K133-W173 HydrophobicContact CG-CZ3 4.43Å; V144-W173 HydrophobicContact CB-CZ3 4.4Å; V144-W173 HydrophobicContact CG1-CE3 4.22Å; V144-W173 HydrophobicContact CG1-CZ3 3.7Å; V144-W173 HydrophobicContact CG2-CE3 3.65Å; V144-W173 HydrophobicContact CG2-CZ3 3.8Å; V169-W173 HydrophobicContact CG1-CE3 3.85Å; V169-W173 HydrophobicContact CG1-CZ3 4.42Å; V169-W173 PolarHBondContact O-N 2.71Å; W173-T175 VanDerWaalsContact C-N 3.25Å; W173-T175 HydrophobicContact CB-CG2 4.1Å; W173-T175 PolarHBondContact O-N 2.9Å
174G96.1Very high98Very high70 Ų7033.4 Ų33.472%0.72219%0.186SC*.SBendtrans62.829.2175.100000114I170I170-G174 WeakPolarHBondContact O-CA 3.48Å; I170-G174 PolarHBondContact O-N 3Å
175T94.8Very high98Very high23 Ų2331.4 Ų31.414%0.14118%0.175CC..  trans-130.8145.3-177.3-172.20000110.8V144 V169 I170 W173 D177 M178V144-T175 HydrophobicContact CG2-CG2 3.79Å; V169-T175 HydrophobicContact CG1-CG2 4.41Å; I170-T175 WeakPolarHBondContact CG1-O 3.12Å; W173-T175 VanDerWaalsContact C-N 3.25Å; W173-T175 HydrophobicContact CB-CG2 4.1Å; W173-T175 PolarHBondContact O-N 2.9Å; T175-D177 PolarHBondContact OG1-N 3.39Å; T175-M178 WeakPolarHBondContact O-CE 3.36Å
176D95Very high98Very high61 Ų6131.4 Ų31.433%0.32618%0.175SC..  trans-112.3-2.4173.966.2-23.5000112.7M178 C232 G233D176-M178 PolarHBondContact O-N 3Å; D176-C232 CarbonylContact O-C 3.56Å; D176-C232 PolarHBondContact O-SG 3.4Å; D176-G233 VanDerWaalsContact O-CA 3.23Å; D176-G233 WeakPolarHBondContact O-CA 3.43Å; D176-G233 PolarHBondContact O-N 3.02Å; D176-G233 VanDerWaalsContact O-N 3.1Å; D176-G233 WeakPolarHBondContact OD2-CA 3.49Å
177D96Very high98Very high13 Ų1331.7 Ų31.77%0.0718%0.179CC..  trans-78.282.3177.3-71.2-41.7000110.7V144 T175 R235 L236V144-D177 PolarHBondContact N-O 2.99Å; T175-D177 PolarHBondContact OG1-N 3.39Å; D177-R235 WeakPolarHBondContact OD1-CB 3.3Å; D177-R235 PolarHBondContact OD1-N 3.49Å; D177-R235 WeakPolarHBondContact OD2-CB 3.1Å; D177-R235 IonicContact OD2-NE 2.92Å; D177-L236 HydrophobicContact CB-CB 4.04Å; D177-L236 WeakPolarHBondContact OD1-CB 3.44Å; D177-L236 PolarHBondContact OD1-N 3.43Å
178M98.3Very high97.9Very high0 Ų030.2 Ų30.20%017%0.174CC..EExtended strand (participates in β ladder)trans-124.7145.4-176.2-39.2178.2-166.400113V144 I146 Y166 V169 I170 T175 D176 F180 A231 C232 L236V144-M178 HydrophobicContact CB-CB 4.37Å; V144-M178 HydrophobicContact CB-CG 4.18Å; V144-M178 CarbonylContact O-C 3.57Å; V144-M178 VanDerWaalsContact O-CA 3.3Å; V144-M178 WeakPolarHBondContact O-CA 3.33Å; I146-M178 HydrophobicContact CD1-CB 4.06Å; I146-M178 HydrophobicContact CD1-CG 4.35Å; I146-M178 HydrophobicContact CD1-SD 3.64Å; Y166-M178 HydrophobicContact CD2-CE 3.73Å; Y166-M178 HydrophobicContact CD2-SD 3.77Å; Y166-M178 HydrophobicContact CE2-CE 4.12Å; Y166-M178 WeakPolarHBondContact O-CE 3.17Å; V169-M178 HydrophobicContact CB-CE 3.48Å; V169-M178 VanDerWaalsContact CB-CE 3.48Å; V169-M178 HydrophobicContact CB-SD 3.79Å; V169-M178 HydrophobicContact CG1-CE 3.29Å; V169-M178 HydrophobicContact CG1-CG 4.34Å; V169-M178 HydrophobicContact CG1-SD 3.68Å; V169-M178 HydrophobicContact CG2-SD 4.33Å; I170-M178 HydrophobicContact CG1-CE 3.73Å; T175-M178 WeakPolarHBondContact O-CE 3.36Å; D176-M178 PolarHBondContact O-N 3Å; M178-F180 HydrophobicContact CB-CE2 4Å; M178-F180 HydrophobicContact CB-CZ 4.35Å; M178-F180 HydrophobicContact SD-CE2 4.41Å; M178-F180 HydrophobicContact SD-CZ 3.96Å; M178-A231 WeakPolarHBondContact O-CA 3.46Å; M178-C232 PolarHBondContact O-N 3.16Å; M178-L236 WeakPolarHBondContact O-CD2 3.44Å
179L98.6Very high97.9Very high0 Ų031.7 Ų31.70%019%0.188CC..EExtended strand (participates in β ladder)trans-112121.1164.7-69.5175.5000109.3I24 L143 V144 L145 I146 I229 V230 A231 L236 V272I24-L179 HydrophobicContact CD1-CD1 3.56Å; I24-L179 HydrophobicContact CG2-CD1 4.4Å; L143-L179 HydrophobicContact CD1-CD1 4.31Å; L143-L179 HydrophobicContact CD1-CG 4.19Å; L143-L179 HydrophobicContact CD2-CD1 4.18Å; V144-L179 PolarHBondContact O-N 2.77Å; L145-L179 CarbonylContact C-O 3.58Å; L145-L179 WeakPolarHBondContact CA-O 3.3Å; L145-L179 HydrophobicContact CD1-CB 4.44Å; L145-L179 HydrophobicContact CD1-CD1 4.41Å; L145-L179 HydrophobicContact CG-CB 4.29Å; I146-L179 PolarHBondContact N-O 3.48Å; L179-I229 HydrophobicContact CD2-CG2 4.09Å; L179-V230 WeakPolarHBondContact CA-O 3.07Å; L179-A231 HydrophobicContact CD2-CB 3.68Å; L179-L236 HydrophobicContact CD2-CD2 3.83Å; L179-L236 HydrophobicContact CG-CD2 3.86Å; L179-V272 HydrophobicContact CD1-CG1 4.46Å
180F98.9Very high97.9Very high0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-93.4130.8164.4-51.9-101.3000107.3I146 L162 Y166 M178 F184 L201 F207 I229 V230I146-F180 HydrophobicContact CB-CD1 3.74Å; I146-F180 HydrophobicContact CB-CE1 4.05Å; I146-F180 HydrophobicContact CB-CG 4.38Å; I146-F180 HydrophobicContact CD1-CD1 3.85Å; I146-F180 HydrophobicContact CD1-CE1 3.28Å; I146-F180 HydrophobicContact CD1-CE2 4.26Å; I146-F180 HydrophobicContact CD1-CZ 3.46Å; I146-F180 VanDerWaalsContact CD1-CZ 3.46Å; I146-F180 HydrophobicContact CG1-CD1 4.4Å; I146-F180 HydrophobicContact CG1-CE1 4.24Å; I146-F180 HydrophobicContact CG2-CD1 3.69Å; I146-F180 HydrophobicContact CG2-CE1 3.93Å; I146-F180 VanDerWaalsContact O-CA 3.32Å; I146-F180 WeakPolarHBondContact O-CA 3.35Å; L162-F180 HydrophobicContact CB-CD1 4.06Å; L162-F180 HydrophobicContact CB-CE1 4.25Å; L162-F180 HydrophobicContact CD1-CB 4.4Å; L162-F180 HydrophobicContact CD1-CD1 4.08Å; L162-F180 HydrophobicContact CD2-CD1 4.14Å; L162-F180 HydrophobicContact CG-CD1 4.34Å; Y166-F180 HydrophobicContact CD2-CZ 4.39Å; M178-F180 HydrophobicContact CB-CE2 4Å; M178-F180 HydrophobicContact CB-CZ 4.35Å; M178-F180 HydrophobicContact SD-CE2 4.41Å; M178-F180 HydrophobicContact SD-CZ 3.96Å; F180-F184 HydrophobicContact CB-CE2 4.47Å; F180-F184 HydrophobicContact CB-CZ 3.92Å; F180-L201 HydrophobicContact CD1-CD1 4.47Å; F180-L201 HydrophobicContact CD2-CD1 4.45Å; F180-L201 HydrophobicContact CE1-CD1 4.42Å; F180-L201 HydrophobicContact CE2-CD1 4.44Å; F180-L201 HydrophobicContact CZ-CD1 4.45Å; F180-F207 HydrophobicContact CE2-CD1 4.16Å; F180-F207 AromaticContact CE2-CE1 3.87Å; F180-F207 HydrophobicContact CE2-CE1 3.87Å; F180-F207 HydrophobicContact CZ-CE1 4.24Å; F180-I229 CarbonylContact O-C 3.45Å; F180-I229 WeakPolarHBondContact O-CA 3.4Å; F180-V230 HydrophobicContact CB-CB 4.2Å; F180-V230 HydrophobicContact CD2-CB 4.48Å; F180-V230 PolarHBondContact N-O 3.35Å; F180-V230 PolarHBondContact O-N 3.14Å
181L98.9Very high97.9Very high0 Ų032.4 Ų32.40%019%0.187CC..EExtended strand (participates in β ladder)trans-154.2151.2-172.971.2177.7000113.3I24 A26 L57 L145 I146 P147 L148 F184 R228 I229I24-L181 HydrophobicContact CG2-CD1 4.1Å; A26-L181 HydrophobicContact CB-CB 4.02Å; A26-L181 HydrophobicContact CB-CD1 3.99Å; A26-L181 HydrophobicContact CB-CG 3.98Å; L57-L181 HydrophobicContact CB-CD1 4.28Å; L57-L181 HydrophobicContact CB-CG 4.37Å; L57-L181 HydrophobicContact CD2-CD2 4.38Å; L57-L181 HydrophobicContact CD2-CG 3.91Å; L57-L181 VanDerWaalsContact CD2-O 3.31Å; L57-L181 WeakPolarHBondContact CD2-O 3.32Å; L145-L181 HydrophobicContact CB-CD2 4.01Å; L145-L181 HydrophobicContact CD2-CD1 3.94Å; L145-L181 HydrophobicContact CD2-CD2 4.24Å; L145-L181 HydrophobicContact CG-CD1 4.41Å; L145-L181 HydrophobicContact CG-CD2 4.01Å; I146-L181 PolarHBondContact O-N 2.66Å; I146-L181 VanDerWaalsContact O-N 3.1Å; P147-L181 VanDerWaalsContact CA-O 3.31Å; P147-L181 WeakPolarHBondContact CA-O 3.17Å; L148-L181 PolarHBondContact N-O 3.49Å; L181-F184 VanDerWaalsContact C-CE1 3.49Å; L181-R228 VanDerWaalsContact CA-O 3.24Å; L181-R228 WeakPolarHBondContact CA-O 3.32Å; L181-I229 HydrophobicContact CB-CG1 4.23Å
182G98.9Very high97.9Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans133.9-177.2177.500000113.6L148 F184 D227 R228L148-G182 CarbonylContact O-C 3.37Å; G182-F184 VanDerWaalsContact O-CD1 3.29Å; G182-F184 WeakPolarHBondContact O-CD1 3.43Å; G182-F184 PolarHBondContact O-N 2.89Å; G182-F184 VanDerWaalsContact O-N 3.1Å; G182-D227 WeakPolarHBondContact O-CA 3.36Å; G182-R228 PolarHBondContact N-O 2.87Å; G182-R228 VanDerWaalsContact N-O 3.12Å; G182-R228 PolarHBondContact O-N 3.42Å
183D98.9Very high97.9Very high3 Ų331.5 Ų31.52%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-68.996.7170176.714000110.5N28 L148 H149 A150 N185 H267N28-D183 HydrophobicContact CB-CB 4.1Å; N28-D183 PolarHBondContact ND2-OD2 3.2Å; L148-D183 CarbonylContact O-C 3.54Å; L148-D183 PolarHBondContact O-N 3.1Å; H149-D183 CarbonylContact C-O 3.54Å; H149-D183 VanDerWaalsContact CA-O 3.24Å; H149-D183 WeakPolarHBondContact CA-O 3.38Å; H149-D183 IonicContact CD2-OD2 3.44Å; H149-D183 PolarHBondContact CD2-OD2 3.35Å; H149-D183 IonicContact NE2-OD2 3.97Å; H149-D183 PolarHBondContact NE2-OD2 3.26Å; A150-D183 PolarHBondContact N-O 2.81Å; D183-N185 VanDerWaalsContact C-N 3.27Å; D183-N185 PolarHBondContact OD1-N 3.15Å; D183-N185 PolarHBondContact OD1-ND2 2.98Å; D183-N185 PolarHBondContact OD2-ND2 3.23Å; D183-H267 IonicContact OD1-CE1 2.65Å; D183-H267 IonicContact OD2-CE1 2.67Å; D183-H267 PolarHBondContact OD2-CE1 3.48Å; D183-H267 IonicContact OD2-NE2 3.24Å
184F98.9Very high97.9Very high0 Ų035.8 Ų35.80%021%0.211CC..  trans-87-2.3179-72.911.9000111.5L148 A150 I159 L162 F180 L181 G182 A186 L201 W209 Y226 R228 V230L148-F184 HydrophobicContact CB-CD1 3.86Å; L148-F184 HydrophobicContact CB-CE1 3.59Å; L148-F184 HydrophobicContact CB-CZ 4.37Å; L148-F184 HydrophobicContact CD2-CD1 4.11Å; L148-F184 HydrophobicContact CD2-CE1 4.37Å; L148-F184 HydrophobicContact CD2-CG 4.36Å; L148-F184 HydrophobicContact CG-CD1 4.16Å; L148-F184 HydrophobicContact CG-CE1 4.35Å; L148-F184 WeakPolarHBondContact O-CD1 3.23Å; A150-F184 VanDerWaalsContact CB-O 3.26Å; A150-F184 WeakPolarHBondContact CB-O 3.22Å; I159-F184 HydrophobicContact CD1-CB 4.04Å; I159-F184 WeakPolarHBondContact CD1-O 3.22Å; I159-F184 HydrophobicContact CG1-CB 4.03Å; I159-F184 HydrophobicContact CG1-CD2 4.24Å; I159-F184 HydrophobicContact CG1-CG 4.36Å; I159-F184 HydrophobicContact CG2-CD2 4.38Å; L162-F184 HydrophobicContact CD1-CE1 4.32Å; L162-F184 HydrophobicContact CD1-CE2 3.84Å; L162-F184 HydrophobicContact CD1-CZ 3.7Å; F180-F184 HydrophobicContact CB-CE2 4.47Å; F180-F184 HydrophobicContact CB-CZ 3.92Å; L181-F184 VanDerWaalsContact C-CE1 3.49Å; G182-F184 VanDerWaalsContact O-CD1 3.29Å; G182-F184 WeakPolarHBondContact O-CD1 3.43Å; G182-F184 PolarHBondContact O-N 2.89Å; G182-F184 VanDerWaalsContact O-N 3.1Å; F184-A186 HydrophobicContact CB-CB 3.62Å; F184-A186 PolarHBondContact O-N 3.45Å; F184-A186 VanDerWaalsContact O-N 3.16Å; F184-L201 HydrophobicContact CE2-CD2 4.24Å; F184-W209 HydrophobicContact CD2-CH2 4.16Å; F184-Y226 PolarHBondContact N-O 2.93Å; F184-R228 HydrophobicContact CB-CG 4.26Å; F184-R228 HydrophobicContact CD2-CB 3.76Å; F184-R228 HydrophobicContact CD2-CG 4.15Å; F184-R228 HydrophobicContact CE2-CB 4.08Å; F184-R228 HydrophobicContact CG-CB 4.1Å; F184-R228 HydrophobicContact CG-CG 4.37Å; F184-V230 HydrophobicContact CE2-CG2 4.14Å
185N98.8Very high98Very high8 Ų834.5 Ų34.54%0.04319%0.187CC..  trans49.235.4-166.5-80.7-78.4000111.9A150 P152 A155 D183 D187 Y190 Y226A150-N185 PolarHBondContact O-ND2 2.79Å; P152-N185 HydrophobicContact CB-CB 4.46Å; A155-N185 HydrophobicContact CB-CB 3.98Å; D183-N185 VanDerWaalsContact C-N 3.27Å; D183-N185 PolarHBondContact OD1-N 3.15Å; D183-N185 PolarHBondContact OD1-ND2 2.98Å; D183-N185 PolarHBondContact OD2-ND2 3.23Å; N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact O-N 2.79Å; N185-D187 VanDerWaalsContact O-N 3.07Å; N185-Y190 HydrophobicContact CB-CD2 3.84Å; N185-Y190 HydrophobicContact CB-CG 4.35Å; N185-Y190 VanDerWaalsContact O-CB 3.27Å; N185-Y190 WeakPolarHBondContact O-CB 3.38Å; N185-Y190 WeakPolarHBondContact OD1-CD2 3.27Å; N185-Y190 VanDerWaalsContact OD1-CE2 3.32Å; N185-Y190 WeakPolarHBondContact OD1-CE2 3.43Å; N185-Y226 PolarHBondContact N-O 3.02Å
186A98.6Very high98.2Very high0 Ų034.7 Ų34.70%019%0.186CC..  trans-88.841.3-162.300000114.9I159 F184 W196 W209 A225 Y226 R228I159-A186 HydrophobicContact CD1-CB 3.82Å; F184-A186 HydrophobicContact CB-CB 3.62Å; F184-A186 PolarHBondContact O-N 3.45Å; F184-A186 VanDerWaalsContact O-N 3.16Å; A186-W196 HydrophobicContact CB-CH2 3.95Å; A186-W196 VanDerWaalsContact O-CZ2 3.23Å; A186-W196 WeakPolarHBondContact O-CZ2 3.46Å; A186-W209 HydrophobicContact CB-CZ3 4.4Å; A186-A225 CarbonylContact C-O 3.52Å; A186-Y226 PolarHBondContact N-O 3Å; A186-R228 HydrophobicContact CB-CG 3.82Å; A186-R228 PolarHBondContact O-NH2 2.88Å
187D98.6Very high98.3Very high32 Ų3235.9 Ų35.917%0.17120%0.204CC..SBendtrans-162.3-173.4176.4-154.4-1.2000112.7N185 S189 Y190 V191 C224 A225 Y226N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact O-N 2.79Å; N185-D187 VanDerWaalsContact O-N 3.07Å; D187-S189 PolarHBondContact O-N 3.04Å; D187-Y190 PolarHBondContact O-N 2.92Å; D187-Y190 VanDerWaalsContact O-N 3.16Å; D187-V191 CarbonylContact C-O 3.5Å; D187-V191 PolarHBondContact O-N 3.17Å; D187-C224 HydrophobicContact CB-CB 4.39Å; D187-A225 HydrophobicContact CB-CB 4.19Å; D187-A225 WeakPolarHBondContact OD2-CB 3.32Å; D187-A225 PolarHBondContact OD2-N 3.28Å; D187-Y226 HydrophobicContact CB-CD1 4.2Å; D187-Y226 HydrophobicContact CB-CE1 4.39Å
188C97.9Very high98.4Very high46 Ų4638.5 Ų38.531%0.31123%0.228SC..THydrogen-bonded Turntrans57.1-126.9168.2-71.50000111.8Y190 D223 C224 Y226C188-Y190 VanDerWaalsContact C-N 3.3Å; C188-Y190 PolarHBondContact O-N 3.44Å; C188-D223 PolarHBondContact SG-O 2.82Å; C188-D223 VanDerWaalsContact SG-O 3.39Å; C188-C224 HydrophobicContact CB-CB 4.13Å; C188-C224 WeakPolarHBondContact CB-SG 3.23Å; C188-C224 VanDerWaalsContact SG-CA 3.58Å; C188-C224 WeakPolarHBondContact SG-CB 3.39Å; C188-C224 CovalentContact SG-SG 2.04Å; C188-C224 PolarHBondContact SG-SG 2.78Å; C188-Y226 HydrophobicContact CB-CE1 4Å
189S97.9Very high98.4Very high74 Ų7438.5 Ų38.552%0.51723%0.228SC..THydrogen-bonded Turntrans-76.6-18.2-17752.40000114D187D187-S189 PolarHBondContact O-N 3.04Å
190Y98.4Very high98.5Very high70 Ų7042.5 Ų42.528%0.27524%0.242SC..THydrogen-bonded Turntrans-88.8-42.1-171.5-57.6-41.7000112.4P152 N185 D187 C188 Y226P152-Y190 HydrophobicContact CB-CD1 3.76Å; P152-Y190 HydrophobicContact CB-CD2 4.07Å; P152-Y190 HydrophobicContact CB-CE1 3.55Å; P152-Y190 HydrophobicContact CB-CE2 3.87Å; P152-Y190 HydrophobicContact CB-CG 4.03Å; P152-Y190 WeakPolarHBondContact O-CB 3.32Å; N185-Y190 HydrophobicContact CB-CD2 3.84Å; N185-Y190 HydrophobicContact CB-CG 4.35Å; N185-Y190 VanDerWaalsContact O-CB 3.27Å; N185-Y190 WeakPolarHBondContact O-CB 3.38Å; N185-Y190 WeakPolarHBondContact OD1-CD2 3.27Å; N185-Y190 VanDerWaalsContact OD1-CE2 3.32Å; N185-Y190 WeakPolarHBondContact OD1-CE2 3.43Å; D187-Y190 PolarHBondContact O-N 2.92Å; D187-Y190 VanDerWaalsContact O-N 3.16Å; C188-Y190 VanDerWaalsContact C-N 3.3Å; C188-Y190 PolarHBondContact O-N 3.44Å; Y190-Y226 HydrophobicContact CD2-CD1 4.3Å; Y190-Y226 AromaticContact CD2-CE1 3.54Å; Y190-Y226 HydrophobicContact CD2-CE1 3.54Å; Y190-Y226 AromaticContact CD2-CZ 3.86Å; Y190-Y226 AromaticContact CE2-CE1 3.94Å; Y190-Y226 HydrophobicContact CE2-CE1 3.94Å; Y190-Y226 HydrophobicContact CE2-CE2 4.48Å; Y190-Y226 AromaticContact CE2-CZ 3.74Å
191V98.8Very high98.4Very high1 Ų142.5 Ų42.51%0.00624%0.242CC..SBendtrans-128.5109.5171.1-176.80000108.6A155 V156 I159 D187 D195 W196 I199A155-V191 HydrophobicContact CB-CG2 3.79Å; V156-V191 HydrophobicContact CG2-CG1 4.42Å; V156-V191 HydrophobicContact CG2-CG2 4Å; I159-V191 HydrophobicContact CD1-CG2 3.91Å; D187-V191 CarbonylContact C-O 3.5Å; D187-V191 PolarHBondContact O-N 3.17Å; V191-D195 HydrophobicContact CG1-CB 4.21Å; V191-W196 HydrophobicContact CG1-CD2 3.94Å; V191-W196 HydrophobicContact CG1-CE3 4.18Å; V191-W196 HydrophobicContact CG1-CH2 4.2Å; V191-W196 HydrophobicContact CG1-CZ2 3.9Å; V191-W196 HydrophobicContact CG1-CZ3 4.31Å; V191-I199 HydrophobicContact CG1-CD1 3.85Å
192R98.3Very high98.4Very high135 Ų13545.8 Ų45.851%0.50926%0.255SS..  trans-93.6165.2-178-57.5173.2-1741771.6110.6Q194 D195R192-Q194 PolarHBondContact O-N 3.31Å; R192-D195 WeakPolarHBondContact CA-OD2 3.27Å; R192-D195 WeakPolarHBondContact CB-OD2 3.27Å; R192-D195 PolarHBondContact N-OD2 3.4Å; R192-D195 WeakPolarHBondContact O-CB 3.33Å; R192-D195 PolarHBondContact O-N 3.41Å
193A97.7Very high98.3Very high88 Ų8849.3 Ų49.373%0.72728%0.279SS*.THydrogen-bonded Turntrans-50.1-39.1-178.400000114.1D195A193-D195 VanDerWaalsContact C-N 3.34Å
194Q97.8Very high98.3Very high127 Ų12750.5 Ų50.559%0.59329%0.288SS*.THydrogen-bonded Turntrans-73.7-21.5179.368.3-84.69.800114.4R192R192-Q194 PolarHBondContact O-N 3.31Å
195D98.4Very high98.2Very high43 Ų4359.4 Ų59.423%0.2333%0.33CS..G310 helixtrans-78.1-27.3-174.8-56.3-39000111.2V156 V191 R192 A193 A197 A198V156-D195 HydrophobicContact CG1-CB 4.35Å; V156-D195 HydrophobicContact CG2-CB 3.81Å; V191-D195 HydrophobicContact CG1-CB 4.21Å; R192-D195 WeakPolarHBondContact CA-OD2 3.27Å; R192-D195 WeakPolarHBondContact CB-OD2 3.27Å; R192-D195 PolarHBondContact N-OD2 3.4Å; R192-D195 WeakPolarHBondContact O-CB 3.33Å; R192-D195 PolarHBondContact O-N 3.41Å; A193-D195 VanDerWaalsContact C-N 3.34Å; D195-A197 PolarHBondContact O-N 2.92Å; D195-A197 VanDerWaalsContact O-N 3.1Å; D195-A198 WeakPolarHBondContact O-CB 3.35Å; D195-A198 PolarHBondContact O-N 2.99Å
196W98.4Very high98.1Very high28 Ų2861.3 Ų61.311%0.10634%0.342CS..G310 helixtrans-56.3-30.2-178.5-73.6121.3000114.9A186 V191 A198 I199 R202 W209A186-W196 HydrophobicContact CB-CH2 3.95Å; A186-W196 VanDerWaalsContact O-CZ2 3.23Å; A186-W196 WeakPolarHBondContact O-CZ2 3.46Å; V191-W196 HydrophobicContact CG1-CD2 3.94Å; V191-W196 HydrophobicContact CG1-CE3 4.18Å; V191-W196 HydrophobicContact CG1-CH2 4.2Å; V191-W196 HydrophobicContact CG1-CZ2 3.9Å; V191-W196 HydrophobicContact CG1-CZ3 4.31Å; W196-A198 PolarHBondContact O-N 3.02Å; W196-I199 HydrophobicContact CE3-CD1 3.74Å; W196-I199 HydrophobicContact CZ3-CD1 4.02Å; W196-I199 PolarHBondContact O-N 2.86Å; W196-R202 HydrophobicContact CB-CG 4.37Å; W196-R202 HydrophobicContact CD2-CG 4.13Å; W196-R202 HydrophobicContact CE3-CB 3.72Å; W196-R202 HydrophobicContact CE3-CG 3.46Å; W196-R202 VanDerWaalsContact CE3-CG 3.46Å; W196-R202 VanDerWaalsContact CH2-NH1 3.27Å; W196-R202 HydrophobicContact CZ3-CB 4.11Å; W196-R202 HydrophobicContact CZ3-CG 4.02Å; W196-W209 HydrophobicContact CH2-CE3 4.42Å; W196-W209 AromaticContact CH2-CH2 3.73Å; W196-W209 HydrophobicContact CH2-CH2 3.73Å; W196-W209 AromaticContact CH2-CZ3 3.62Å; W196-W209 HydrophobicContact CH2-CZ3 3.62Å; W196-W209 AromaticContact CZ3-CH2 3.5Å; W196-W209 HydrophobicContact CZ3-CH2 3.5Å; W196-W209 AromaticContact CZ3-CZ2 3.97Å; W196-W209 HydrophobicContact CZ3-CZ2 3.97Å; W196-W209 AromaticContact CZ3-CZ3 3.85Å; W196-W209 HydrophobicContact CZ3-CZ3 3.85Å
197A97.7Very high98.1Very high86 Ų8662 Ų6271%0.71135%0.345SS*.G310 helixtrans-67.7-24.7177.800000112.7D195D195-A197 PolarHBondContact O-N 2.92Å; D195-A197 VanDerWaalsContact O-N 3.1Å
198A97.8Very high98.1Very high68 Ų6865.5 Ų65.556%0.56236%0.358SS*.G310 helixtrans-87.4-14.6179.200000113.4D195 W196 R200D195-A198 WeakPolarHBondContact O-CB 3.35Å; D195-A198 PolarHBondContact O-N 2.99Å; W196-A198 PolarHBondContact O-N 3.02Å; A198-R200 PolarHBondContact O-N 2.95Å
199I98.8Very high98.1Very high0 Ų065.1 Ų65.10%035%0.35CS..  trans-89.7106.4-176.5-61.4172.5000109.4V156 I159 V191 W196 L201 R202 S203V156-I199 HydrophobicContact CG1-CD1 4.27Å; V156-I199 HydrophobicContact CG1-CG1 4.04Å; I159-I199 HydrophobicContact CB-CG2 4.14Å; I159-I199 HydrophobicContact CG2-CG2 3.51Å; V191-I199 HydrophobicContact CG1-CD1 3.85Å; W196-I199 HydrophobicContact CE3-CD1 3.74Å; W196-I199 HydrophobicContact CZ3-CD1 4.02Å; W196-I199 PolarHBondContact O-N 2.86Å; I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 HydrophobicContact CG2-CB 4.14Å; I199-L201 PolarHBondContact O-N 2.91Å; I199-R202 HydrophobicContact CB-CB 4.15Å; I199-R202 HydrophobicContact CG2-CB 4.05Å; I199-R202 WeakPolarHBondContact O-CA 3.45Å; I199-R202 WeakPolarHBondContact O-CB 3.48Å; I199-R202 PolarHBondContact O-N 2.93Å; I199-S203 PolarHBondContact O-N 3.25Å; I199-S203 PolarHBondContact O-OG 3.27Å
200R98.8Very high98.2Very high83 Ų8362.6 Ų62.631%0.31333%0.331SS..Hα-helixtrans-59.8-34.3-178.7-71.3173.6-74.2159.5-1113.1D160 Y163 D164 A198 R202 S204D160-R200 VanDerWaalsContact OD1-CB 3.27Å; D160-R200 WeakPolarHBondContact OD1-CB 3.29Å; D160-R200 VanDerWaalsContact OD1-CG 3.27Å; D160-R200 WeakPolarHBondContact OD1-CG 3.39Å; D160-R200 IonicContact OD1-CZ 2.75Å; D160-R200 PolarHBondContact OD1-N 2.99Å; D160-R200 IonicContact OD1-NE 2.76Å; D160-R200 PolarHBondContact OD1-NE 2.66Å; D160-R200 IonicContact OD1-NH2 3.94Å; D160-R200 IonicContact OD2-CZ 3.4Å; D160-R200 IonicContact OD2-NE 2.68Å; D160-R200 PolarHBondContact OD2-NE 3.17Å; D160-R200 VanDerWaalsContact OD2-NE 3.16Å; D160-R200 IonicContact OD2-NH2 2.82Å; D160-R200 PolarHBondContact OD2-NH2 3.28Å; Y163-R200 HydrophobicContact CD1-CB 4.4Å; Y163-R200 HydrophobicContact CD2-CB 3.69Å; Y163-R200 HydrophobicContact CE2-CB 4.42Å; Y163-R200 HydrophobicContact CG-CB 3.69Å; D164-R200 IonicContact OD1-CZ 3.99Å; D164-R200 IonicContact OD1-NH1 3.29Å; D164-R200 PolarHBondContact OD1-NH1 2.96Å; D164-R200 IonicContact OD1-NH2 3.78Å; D164-R200 IonicContact OD2-CZ 2.91Å; D164-R200 IonicContact OD2-NH1 3.71Å; D164-R200 PolarHBondContact OD2-NH1 3.29Å; D164-R200 IonicContact OD2-NH2 3.03Å; D164-R200 PolarHBondContact OD2-NH2 3.09Å; A198-R200 PolarHBondContact O-N 2.95Å; R200-R202 PolarHBondContact O-N 3.48Å; R200-S204 VanDerWaalsContact O-CB 3.23Å; R200-S204 WeakPolarHBondContact O-CB 3.19Å; R200-S204 PolarHBondContact O-N 3.23Å
201L98.6Very high98.2Very high0 Ų059.3 Ų59.30%032%0.318CS..Hα-helixtrans-62-23173.8-158.778.9000112.6I159 L162 F180 F184 I199 F207 W209 V230I159-L201 HydrophobicContact CG2-CB 4.39Å; I159-L201 HydrophobicContact CG2-CD2 4.04Å; L162-L201 HydrophobicContact CB-CD1 3.95Å; L162-L201 HydrophobicContact CB-CD2 3.88Å; L162-L201 HydrophobicContact CB-CG 4.42Å; L162-L201 HydrophobicContact CD1-CD2 3.77Å; L162-L201 HydrophobicContact CG-CD2 4.49Å; F180-L201 HydrophobicContact CD1-CD1 4.47Å; F180-L201 HydrophobicContact CD2-CD1 4.45Å; F180-L201 HydrophobicContact CE1-CD1 4.42Å; F180-L201 HydrophobicContact CE2-CD1 4.44Å; F180-L201 HydrophobicContact CZ-CD1 4.45Å; F184-L201 HydrophobicContact CE2-CD2 4.24Å; I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 HydrophobicContact CG2-CB 4.14Å; I199-L201 PolarHBondContact O-N 2.91Å; L201-F207 HydrophobicContact CD1-CD1 3.7Å; L201-F207 HydrophobicContact CD1-CD2 4.31Å; L201-F207 HydrophobicContact CD1-CE1 3.55Å; L201-F207 HydrophobicContact CD1-CE2 4.2Å; L201-F207 HydrophobicContact CD1-CG 4.08Å; L201-F207 HydrophobicContact CD1-CZ 3.82Å; L201-F207 HydrophobicContact CG-CD1 4.35Å; L201-F207 HydrophobicContact CG-CG 4.35Å; L201-F207 VanDerWaalsContact O-CB 3.24Å; L201-F207 WeakPolarHBondContact O-CB 3.35Å; L201-F207 WeakPolarHBondContact O-CD2 3.4Å; L201-F207 WeakPolarHBondContact O-CG 3.24Å; L201-W209 HydrophobicContact CD2-CZ2 4.05Å; L201-W209 HydrophobicContact CG-CZ2 4.43Å; L201-W209 PolarHBondContact O-NE1 3.27Å; L201-V230 HydrophobicContact CD2-CG2 4.44Å
202R98.6Very high98.2Very high69 Ų6962.4 Ų62.426%0.2634%0.339SS..Hα-helixtrans-97.7-44.7178-173.268.8176.7-116.1-1.4113W196 I199 R200 S204 W209 D213W196-R202 HydrophobicContact CB-CG 4.37Å; W196-R202 HydrophobicContact CD2-CG 4.13Å; W196-R202 HydrophobicContact CE3-CB 3.72Å; W196-R202 HydrophobicContact CE3-CG 3.46Å; W196-R202 VanDerWaalsContact CE3-CG 3.46Å; W196-R202 VanDerWaalsContact CH2-NH1 3.27Å; W196-R202 HydrophobicContact CZ3-CB 4.11Å; W196-R202 HydrophobicContact CZ3-CG 4.02Å; I199-R202 HydrophobicContact CB-CB 4.15Å; I199-R202 HydrophobicContact CG2-CB 4.05Å; I199-R202 WeakPolarHBondContact O-CA 3.45Å; I199-R202 WeakPolarHBondContact O-CB 3.48Å; I199-R202 PolarHBondContact O-N 2.93Å; R200-R202 PolarHBondContact O-N 3.48Å; R202-S204 VanDerWaalsContact C-N 3.34Å; R202-W209 HydrophobicContact CB-CZ2 4.2Å; R202-D213 IonicContact CZ-OD1 2.67Å; R202-D213 IonicContact CZ-OD2 3.38Å; R202-D213 IonicContact NH1-OD1 3.98Å; R202-D213 PolarHBondContact NH1-OD1 2.88Å; R202-D213 IonicContact NH1-OD2 3.43Å; R202-D213 VanDerWaalsContact NH2-CG 3.28Å; R202-D213 IonicContact NH2-OD1 3.63Å; R202-D213 PolarHBondContact NH2-OD1 2.88Å; R202-D213 VanDerWaalsContact NH2-OD1 3.14Å; R202-D213 IonicContact NH2-OD2 3.79Å; R202-D213 PolarHBondContact NH2-OD2 2.76Å
203S97.5Very high98.2Very high74 Ų7458.9 Ų58.952%0.51733%0.33SS..Hα-helixtrans-77.4-19.2-172.760.50000113.7I199I199-S203 PolarHBondContact O-N 3.25Å; I199-S203 PolarHBondContact O-OG 3.27Å
204S97.8Very high98.2Very high29 Ų2959.7 Ų59.720%0.20333%0.33CS..SBendtrans-83.6131.8176.8174.70000113R200 R202 V206 F207R200-S204 VanDerWaalsContact O-CB 3.23Å; R200-S204 WeakPolarHBondContact O-CB 3.19Å; R200-S204 PolarHBondContact O-N 3.23Å; R202-S204 VanDerWaalsContact C-N 3.34Å; S204-V206 PolarHBondContact O-N 2.91Å; S204-V206 VanDerWaalsContact O-N 3.1Å; S204-V206 WeakPolarHBondContact OG-CB 3.43Å; S204-V206 WeakPolarHBondContact OG-CG2 3.34Å; S204-V206 PolarHBondContact OG-N 3.27Å; S204-F207 PolarHBondContact O-N 3.25Å
205E96.3Very high98.2Very high186 Ų18654.3 Ų54.387%0.86931%0.307SS*.THydrogen-bonded Turntrans-66.3-9.6176.9-60.3-174.1169.100114.3F207E205-F207 PolarHBondContact O-N 3.11Å
206V97.4Very high98.2Very high49 Ų4955 Ų5530%0.29731%0.311SS..THydrogen-bonded Turntrans-61.5-36.5174.2172.70000110.7Y166 S204 C232Y166-V206 HydrophobicContact CE1-CG1 4.42Å; Y166-V206 HydrophobicContact CE2-CG1 4.17Å; S204-V206 PolarHBondContact O-N 2.91Å; S204-V206 VanDerWaalsContact O-N 3.1Å; S204-V206 WeakPolarHBondContact OG-CB 3.43Å; S204-V206 WeakPolarHBondContact OG-CG2 3.34Å; S204-V206 PolarHBondContact OG-N 3.27Å; V206-C232 HydrophobicContact CG1-CB 3.94Å
207F98.6Very high98.3Very high14 Ų1453.7 Ų53.76%0.06131%0.306CS..  trans-100133.7-171.4-55.3-78.3000111.2Y163 Y166 F180 L201 S204 E205 V230 C232Y163-F207 AromaticContact CD2-CE2 3.57Å; Y163-F207 HydrophobicContact CD2-CE2 3.57Å; Y163-F207 AromaticContact CD2-CZ 3.88Å; Y163-F207 HydrophobicContact CD2-CZ 3.88Å; Y163-F207 AromaticContact CE2-CE2 3.84Å; Y163-F207 HydrophobicContact CE2-CE2 3.84Å; Y163-F207 HydrophobicContact CE2-CZ 4.25Å; Y166-F207 HydrophobicContact CD1-CE1 4.39Å; Y166-F207 AromaticContact CD1-CZ 3.74Å; Y166-F207 HydrophobicContact CD1-CZ 3.74Å; Y166-F207 AromaticContact CD2-CE1 3.9Å; Y166-F207 HydrophobicContact CD2-CE1 3.9Å; Y166-F207 HydrophobicContact CD2-CZ 4.08Å; Y166-F207 HydrophobicContact CE1-CZ 4.17Å; Y166-F207 HydrophobicContact CE2-CE1 4.38Å; Y166-F207 HydrophobicContact CE2-CZ 4.47Å; Y166-F207 AromaticContact CG-CE1 3.89Å; Y166-F207 HydrophobicContact CG-CE1 3.89Å; Y166-F207 AromaticContact CG-CZ 3.68Å; Y166-F207 HydrophobicContact CG-CZ 3.68Å; F180-F207 HydrophobicContact CE2-CD1 4.16Å; F180-F207 AromaticContact CE2-CE1 3.87Å; F180-F207 HydrophobicContact CE2-CE1 3.87Å; F180-F207 HydrophobicContact CZ-CE1 4.24Å; L201-F207 HydrophobicContact CD1-CD1 3.7Å; L201-F207 HydrophobicContact CD1-CD2 4.31Å; L201-F207 HydrophobicContact CD1-CE1 3.55Å; L201-F207 HydrophobicContact CD1-CE2 4.2Å; L201-F207 HydrophobicContact CD1-CG 4.08Å; L201-F207 HydrophobicContact CD1-CZ 3.82Å; L201-F207 HydrophobicContact CG-CD1 4.35Å; L201-F207 HydrophobicContact CG-CG 4.35Å; L201-F207 VanDerWaalsContact O-CB 3.24Å; L201-F207 WeakPolarHBondContact O-CB 3.35Å; L201-F207 WeakPolarHBondContact O-CD2 3.4Å; L201-F207 WeakPolarHBondContact O-CG 3.24Å; S204-F207 PolarHBondContact O-N 3.25Å; E205-F207 PolarHBondContact O-N 3.11Å; F207-V230 HydrophobicContact CB-CG1 3.72Å; F207-V230 HydrophobicContact CD1-CG1 4.31Å; F207-V230 HydrophobicContact CG-CG1 4.39Å; F207-C232 HydrophobicContact CD1-CB 3.81Å; F207-C232 HydrophobicContact CE1-CB 4.05Å
208K98.4Very high98.3Very high105 Ų10549.8 Ų49.846%0.45727%0.274SS..EExtended strand (participates in β ladder)trans-111.1107.8173.5-171.2-175.1174.9178.20108.9L210 V230 A231 L240K208-L210 HydrophobicContact CB-CD2 4.33Å; K208-L210 HydrophobicContact CD-CD2 3.77Å; K208-L210 HydrophobicContact CG-CD2 3.8Å; K208-L210 PolarHBondContact O-N 3.39Å; K208-V230 WeakPolarHBondContact O-CA 3.33Å; K208-A231 PolarHBondContact N-O 2.76Å; K208-A231 PolarHBondContact O-N 2.93Å; K208-L240 HydrophobicContact CD-CD1 4.38Å
209W98.7Very high98.3Very high38 Ų3846.7 Ų46.714%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-72.4122.5171.3-71.563.2000109.1I159 F184 A186 W196 L201 R202 R228 V230I159-W209 HydrophobicContact CG2-CH2 3.95Å; I159-W209 HydrophobicContact CG2-CZ2 4.1Å; F184-W209 HydrophobicContact CD2-CH2 4.16Å; A186-W209 HydrophobicContact CB-CZ3 4.4Å; W196-W209 HydrophobicContact CH2-CE3 4.42Å; W196-W209 AromaticContact CH2-CH2 3.73Å; W196-W209 HydrophobicContact CH2-CH2 3.73Å; W196-W209 AromaticContact CH2-CZ3 3.62Å; W196-W209 HydrophobicContact CH2-CZ3 3.62Å; W196-W209 AromaticContact CZ3-CH2 3.5Å; W196-W209 HydrophobicContact CZ3-CH2 3.5Å; W196-W209 AromaticContact CZ3-CZ2 3.97Å; W196-W209 HydrophobicContact CZ3-CZ2 3.97Å; W196-W209 AromaticContact CZ3-CZ3 3.85Å; W196-W209 HydrophobicContact CZ3-CZ3 3.85Å; L201-W209 HydrophobicContact CD2-CZ2 4.05Å; L201-W209 HydrophobicContact CG-CZ2 4.43Å; L201-W209 PolarHBondContact O-NE1 3.27Å; R202-W209 HydrophobicContact CB-CZ2 4.2Å; W209-R228 HydrophobicContact CE3-CB 4.44Å; W209-R228 HydrophobicContact CE3-CG 4.2Å; W209-R228 HydrophobicContact CZ3-CB 4.1Å; W209-R228 HydrophobicContact CZ3-CG 3.65Å; W209-V230 HydrophobicContact CD2-CG2 3.54Å; W209-V230 HydrophobicContact CE3-CG2 3.9Å; W209-V230 HydrophobicContact CG-CG1 4.22Å; W209-V230 HydrophobicContact CG-CG2 3.94Å; W209-V230 HydrophobicContact CH2-CG2 4.27Å; W209-V230 HydrophobicContact CZ2-CG2 3.95Å; W209-V230 HydrophobicContact CZ3-CG2 4.26Å
210L98.8Very high97.8Very high22 Ų2247.9 Ų47.912%0.11526%0.26CS..  trans-97.4-34.5-172.2-54-172.8000112.3K208 I229 A231 L240 A245 V272K208-L210 HydrophobicContact CB-CD2 4.33Å; K208-L210 HydrophobicContact CD-CD2 3.77Å; K208-L210 HydrophobicContact CG-CD2 3.8Å; K208-L210 PolarHBondContact O-N 3.39Å; L210-I229 HydrophobicContact CB-CB 4.35Å; L210-I229 WeakPolarHBondContact CB-O 3.24Å; L210-I229 HydrophobicContact CD1-CB 4.49Å; L210-I229 HydrophobicContact CD1-CG2 3.83Å; L210-I229 HydrophobicContact CG-CG2 4.42Å; L210-I229 PolarHBondContact N-O 2.04Å; L210-A231 HydrophobicContact CD1-CB 4.12Å; L210-A231 HydrophobicContact CD2-CB 4.44Å; L210-A231 HydrophobicContact CG-CB 4.39Å; L210-L240 HydrophobicContact CD1-CD1 4.18Å; L210-L240 HydrophobicContact CD1-CD2 3.71Å; L210-L240 HydrophobicContact CD2-CD1 3.78Å; L210-A245 HydrophobicContact CB-CB 3.61Å; L210-V272 HydrophobicContact CD1-CB 4.35Å; L210-V272 HydrophobicContact CD1-CG2 3.81Å
211I98.8Very high97.3Very high0 Ų052 Ų520%029%0.288CS..SBendtrans-89.3116.4171.2-53-58000108.1A215 T217 R228 I229 A245 V270I211-A215 HydrophobicContact CG2-CB 3.8Å; I211-T217 HydrophobicContact CG2-CG2 4.26Å; I211-R228 PolarHBondContact O-NH1 2.86Å; I211-I229 HydrophobicContact CG1-CB 4.25Å; I211-I229 HydrophobicContact CG1-CG1 4.2Å; I211-A245 HydrophobicContact CD1-CB 4.25Å; I211-V270 HydrophobicContact CD1-CB 3.98Å; I211-V270 HydrophobicContact CD1-CG1 4.14Å; I211-V270 HydrophobicContact CG1-CB 3.95Å; I211-V270 HydrophobicContact CG1-CG1 4Å; I211-V270 HydrophobicContact CG2-CG1 4.31Å
212P98.4Very high97.1Very high67 Ų6754.4 Ų54.444%0.43531%0.305SS..  trans-72.8161.7-176.332.3-35.9000111.7S214 A215P212-S214 PolarHBondContact O-N 3.06Å; P212-A215 HydrophobicContact CG-CB 4.17Å; P212-A215 WeakPolarHBondContact O-CB 3.46Å; P212-A215 PolarHBondContact O-N 3.1Å
213D98.5Very high97Very high60 Ų6056.7 Ų56.732%0.32132%0.322SS..THydrogen-bonded Turntrans-67-12.9174.7-55.2-23.2000113.3R202 A215 R228R202-D213 IonicContact CZ-OD1 2.67Å; R202-D213 IonicContact CZ-OD2 3.38Å; R202-D213 IonicContact NH1-OD1 3.98Å; R202-D213 PolarHBondContact NH1-OD1 2.88Å; R202-D213 IonicContact NH1-OD2 3.43Å; R202-D213 VanDerWaalsContact NH2-CG 3.28Å; R202-D213 IonicContact NH2-OD1 3.63Å; R202-D213 PolarHBondContact NH2-OD1 2.88Å; R202-D213 VanDerWaalsContact NH2-OD1 3.14Å; R202-D213 IonicContact NH2-OD2 3.79Å; R202-D213 PolarHBondContact NH2-OD2 2.76Å; D213-A215 VanDerWaalsContact C-N 3.32Å; D213-R228 IonicContact OD1-CZ 3.47Å; D213-R228 VanDerWaalsContact OD1-CZ 3.23Å; D213-R228 IonicContact OD1-NH1 3.21Å; D213-R228 PolarHBondContact OD1-NH1 3.15Å; D213-R228 IonicContact OD1-NH2 2.92Å; D213-R228 PolarHBondContact OD1-NH2 3.43Å
214S98.3Very high97Very high105 Ų10553.4 Ų53.473%0.73430%0.299SS*.THydrogen-bonded Turntrans-927.5178680000113.1P212P212-S214 PolarHBondContact O-N 3.06Å
215A98.5Very high97.1Very high14 Ų1452 Ų5212%0.11629%0.29CS..  trans-87.6140.9177.300000109.5I211 P212 D213 C224 A225 V247I211-A215 HydrophobicContact CG2-CB 3.8Å; P212-A215 HydrophobicContact CG-CB 4.17Å; P212-A215 WeakPolarHBondContact O-CB 3.46Å; P212-A215 PolarHBondContact O-N 3.1Å; D213-A215 VanDerWaalsContact C-N 3.32Å; A215-C224 CarbonylContact O-C 3.58Å; A215-A225 VanDerWaalsContact O-CA 3.22Å; A215-A225 WeakPolarHBondContact O-CA 3.37Å; A215-A225 WeakPolarHBondContact O-CB 3.21Å; A215-A225 PolarHBondContact O-N 3.19Å; A215-V247 HydrophobicContact CB-CG2 4.11Å
216D98.6Very high97.2Very high58 Ų5844.4 Ų44.431%0.3125%0.253SS..  trans-95.4115.6165.4-175.711.5000108.5T218 C224D216-T218 PolarHBondContact OD1-N 3.41Å; D216-T218 PolarHBondContact OD1-OG1 2.7Å; D216-C224 PolarHBondContact OD1-N 3.36Å
217T98.8Very high97.3Very high0 Ų042.1 Ų42.10%024%0.239CC..  trans-103.310.8177.271.70000111.9I211 C224 Y226 D227 V247 H267 F268 V270I211-T217 HydrophobicContact CG2-CG2 4.26Å; T217-C224 PolarHBondContact N-O 2.71Å; T217-C224 PolarHBondContact OG1-O 2.93Å; T217-Y226 PolarHBondContact OG1-N 2.84Å; T217-Y226 VanDerWaalsContact OG1-N 3.1Å; T217-D227 WeakPolarHBondContact CB-OD2 3.12Å; T217-D227 HydrophobicContact CG2-CB 4.04Å; T217-D227 PolarHBondContact OG1-N 2.84Å; T217-D227 PolarHBondContact OG1-OD2 3.35Å; T217-V247 HydrophobicContact CG2-CG2 3.93Å; T217-H267 CarbonylContact O-C 3.56Å; T217-H267 WeakPolarHBondContact O-CA 3.32Å; T217-F268 PolarHBondContact O-N 3.34Å; T217-V270 HydrophobicContact CG2-CG1 3.71Å
218T98.4Very high97.3Very high5 Ų541.5 Ų41.53%0.03124%0.236CC..BIsolated β-bridgetrans-106.7142.8-17769.90000111.4D216 S222 C224 Y226 F268D216-T218 PolarHBondContact OD1-N 3.41Å; D216-T218 PolarHBondContact OD1-OG1 2.7Å; T218-S222 VanDerWaalsContact CB-OG 3.3Å; T218-S222 WeakPolarHBondContact CB-OG 3.49Å; T218-S222 PolarHBondContact OG1-O 3.2Å; T218-S222 PolarHBondContact OG1-OG 3.07Å; T218-C224 HydrophobicContact CG2-CB 4.13Å; T218-Y226 HydrophobicContact CG2-CD2 3.56Å; T218-Y226 HydrophobicContact CG2-CE2 3.85Å; T218-F268 WeakPolarHBondContact O-CD2 3.16Å; T218-F268 WeakPolarHBondContact O-CE2 3.28Å
219V97.3Very high97.3Very high3 Ų336.5 Ų36.52%0.01822%0.215CC..SBendtrans-81-26.7172.9-178.90000110.5F250 Q258 A261 L262 S265 D266 F268V219-F250 HydrophobicContact CG2-CE1 4.07Å; V219-F250 HydrophobicContact CG2-CZ 3.74Å; V219-Q258 PolarHBondContact O-NE2 3.49Å; V219-A261 HydrophobicContact CG1-CB 3.57Å; V219-L262 HydrophobicContact CB-CD2 4.16Å; V219-L262 HydrophobicContact CG1-CD2 3.98Å; V219-L262 HydrophobicContact CG1-CG 4.17Å; V219-S265 WeakPolarHBondContact CG2-O 3.31Å; V219-D266 PolarHBondContact N-O 3.16Å; V219-F268 HydrophobicContact CB-CE2 4.48Å; V219-F268 HydrophobicContact CB-CZ 4.28Å; V219-F268 HydrophobicContact CG1-CZ 4.41Å; V219-F268 HydrophobicContact CG2-CD1 3.74Å; V219-F268 HydrophobicContact CG2-CD2 4.18Å; V219-F268 HydrophobicContact CG2-CE1 3.66Å; V219-F268 HydrophobicContact CG2-CE2 4.11Å; V219-F268 HydrophobicContact CG2-CG 4.01Å; V219-F268 HydrophobicContact CG2-CZ 3.85Å
220G89.9Confident97.3Very high25 Ų2534.7 Ų34.726%0.25821%0.208SC..SBendtrans-67.9-164.5-177.100000114.6S222G220-S222 PolarHBondContact O-N 3.37Å
221N88.3Confident97.3Very high170 Ų17033.7 Ų33.791%0.90920%0.202SC*.SBendtrans-87.114.6178.1-63.8-46.8000113.3
222S92.6Very high97.3Very high49 Ų4933.7 Ų33.734%0.34320%0.202SC..  trans-85.8167.1173.238.80000110.7T218 G220T218-S222 VanDerWaalsContact CB-OG 3.3Å; T218-S222 WeakPolarHBondContact CB-OG 3.49Å; T218-S222 PolarHBondContact OG1-O 3.2Å; T218-S222 PolarHBondContact OG1-OG 3.07Å; G220-S222 PolarHBondContact O-N 3.37Å
223D97.1Very high97.1Very high118 Ų11830.6 Ų30.663%0.63118%0.183SC*.  trans-132.686.4169.6177.36.7000105.3C188C188-D223 PolarHBondContact SG-O 2.82Å; C188-D223 VanDerWaalsContact SG-O 3.39Å
224C98.6Very high96.9Very high5 Ų529.6 Ų29.63%0.03418%0.183CC..  trans-139.4131-170.4-61.80000111.6D187 C188 A215 D216 T217 T218 Y226D187-C224 HydrophobicContact CB-CB 4.39Å; C188-C224 HydrophobicContact CB-CB 4.13Å; C188-C224 WeakPolarHBondContact CB-SG 3.23Å; C188-C224 VanDerWaalsContact SG-CA 3.58Å; C188-C224 WeakPolarHBondContact SG-CB 3.39Å; C188-C224 CovalentContact SG-SG 2.04Å; C188-C224 PolarHBondContact SG-SG 2.78Å; A215-C224 CarbonylContact O-C 3.58Å; D216-C224 PolarHBondContact OD1-N 3.36Å; T217-C224 PolarHBondContact N-O 2.71Å; T217-C224 PolarHBondContact OG1-O 2.93Å; T218-C224 HydrophobicContact CG2-CB 4.13Å; C224-Y226 VanDerWaalsContact C-N 3.29Å; C224-Y226 HydrophobicContact CB-CD1 3.93Å; C224-Y226 HydrophobicContact CB-CD2 3.91Å; C224-Y226 HydrophobicContact CB-CE1 3.67Å; C224-Y226 HydrophobicContact CB-CE2 3.63Å; C224-Y226 HydrophobicContact CB-CG 4.04Å; C224-Y226 PolarHBondContact O-N 3.19Å; C224-Y226 VanDerWaalsContact O-N 3.11Å; C224-Y226 VanDerWaalsContact SG-CZ 3.58Å; C224-Y226 PolarHBondContact SG-OH 2.85Å; C224-Y226 VanDerWaalsContact SG-OH 3.41Å
225A98.7Very high96.6Very high0 Ų031.6 Ų31.60%017%0.174CC..  trans-85.560.8174.500000111.9A186 D187 A215 R228A186-A225 CarbonylContact C-O 3.52Å; D187-A225 HydrophobicContact CB-CB 4.19Å; D187-A225 WeakPolarHBondContact OD2-CB 3.32Å; D187-A225 PolarHBondContact OD2-N 3.28Å; A215-A225 VanDerWaalsContact O-CA 3.22Å; A215-A225 WeakPolarHBondContact O-CA 3.37Å; A215-A225 WeakPolarHBondContact O-CB 3.21Å; A215-A225 PolarHBondContact O-N 3.19Å; A225-R228 PolarHBondContact O-NE 3.16Å; A225-R228 PolarHBondContact O-NH2 3.35Å
226Y98.9Very high96.4Very high26 Ų2631.3 Ų31.310%0.10217%0.171CC..  trans-71.4-45.1-177.1-67.8-35000112.9F184 N185 A186 D187 C188 Y190 T217 T218 C224F184-Y226 PolarHBondContact N-O 2.93Å; N185-Y226 PolarHBondContact N-O 3.02Å; A186-Y226 PolarHBondContact N-O 3Å; D187-Y226 HydrophobicContact CB-CD1 4.2Å; D187-Y226 HydrophobicContact CB-CE1 4.39Å; C188-Y226 HydrophobicContact CB-CE1 4Å; Y190-Y226 HydrophobicContact CD2-CD1 4.3Å; Y190-Y226 AromaticContact CD2-CE1 3.54Å; Y190-Y226 HydrophobicContact CD2-CE1 3.54Å; Y190-Y226 AromaticContact CD2-CZ 3.86Å; Y190-Y226 AromaticContact CE2-CE1 3.94Å; Y190-Y226 HydrophobicContact CE2-CE1 3.94Å; Y190-Y226 HydrophobicContact CE2-CE2 4.48Å; Y190-Y226 AromaticContact CE2-CZ 3.74Å; T217-Y226 PolarHBondContact OG1-N 2.84Å; T217-Y226 VanDerWaalsContact OG1-N 3.1Å; T218-Y226 HydrophobicContact CG2-CD2 3.56Å; T218-Y226 HydrophobicContact CG2-CE2 3.85Å; C224-Y226 VanDerWaalsContact C-N 3.29Å; C224-Y226 HydrophobicContact CB-CD1 3.93Å; C224-Y226 HydrophobicContact CB-CD2 3.91Å; C224-Y226 HydrophobicContact CB-CE1 3.67Å; C224-Y226 HydrophobicContact CB-CE2 3.63Å; C224-Y226 HydrophobicContact CB-CG 4.04Å; C224-Y226 PolarHBondContact O-N 3.19Å; C224-Y226 VanDerWaalsContact O-N 3.11Å; C224-Y226 VanDerWaalsContact SG-CZ 3.58Å; C224-Y226 PolarHBondContact SG-OH 2.85Å; C224-Y226 VanDerWaalsContact SG-OH 3.41Å
227D98.9Very high96.2Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-85.7132.4-176.2-56.4-99.7000110.8G182 T217 H267 V270G182-D227 WeakPolarHBondContact O-CA 3.36Å; T217-D227 WeakPolarHBondContact CB-OD2 3.12Å; T217-D227 HydrophobicContact CG2-CB 4.04Å; T217-D227 PolarHBondContact OG1-N 2.84Å; T217-D227 PolarHBondContact OG1-OD2 3.35Å; D227-H267 IonicContact OD1-ND1 3.14Å; D227-H267 IonicContact OD2-CE1 3.57Å; D227-H267 IonicContact OD2-CG 3.72Å; D227-H267 IonicContact OD2-ND1 3.29Å; D227-H267 PolarHBondContact OD2-ND1 3.45Å; D227-V270 HydrophobicContact CB-CB 4.39Å; D227-V270 HydrophobicContact CB-CG1 3.63Å; D227-V270 HydrophobicContact CB-CG2 3.86Å
228R98.9Very high95.9Very high1 Ų140.8 Ų40.80%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-133.2154.2-170.2-61.5-66.9-171.5135.69.1111.9L181 G182 F184 A186 W209 I211 D213 A225L181-R228 VanDerWaalsContact CA-O 3.24Å; L181-R228 WeakPolarHBondContact CA-O 3.32Å; G182-R228 PolarHBondContact N-O 2.87Å; G182-R228 VanDerWaalsContact N-O 3.12Å; G182-R228 PolarHBondContact O-N 3.42Å; F184-R228 HydrophobicContact CB-CG 4.26Å; F184-R228 HydrophobicContact CD2-CB 3.76Å; F184-R228 HydrophobicContact CD2-CG 4.15Å; F184-R228 HydrophobicContact CE2-CB 4.08Å; F184-R228 HydrophobicContact CG-CB 4.1Å; F184-R228 HydrophobicContact CG-CG 4.37Å; A186-R228 HydrophobicContact CB-CG 3.82Å; A186-R228 PolarHBondContact O-NH2 2.88Å; W209-R228 HydrophobicContact CE3-CB 4.44Å; W209-R228 HydrophobicContact CE3-CG 4.2Å; W209-R228 HydrophobicContact CZ3-CB 4.1Å; W209-R228 HydrophobicContact CZ3-CG 3.65Å; I211-R228 PolarHBondContact O-NH1 2.86Å; D213-R228 IonicContact OD1-CZ 3.47Å; D213-R228 VanDerWaalsContact OD1-CZ 3.23Å; D213-R228 IonicContact OD1-NH1 3.21Å; D213-R228 PolarHBondContact OD1-NH1 3.15Å; D213-R228 IonicContact OD1-NH2 2.92Å; D213-R228 PolarHBondContact OD1-NH2 3.43Å; A225-R228 PolarHBondContact O-NE 3.16Å; A225-R228 PolarHBondContact O-NH2 3.35Å
229I98.9Very high95.6Very high1 Ų141 Ų411%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-129.6125.6163.6-55.3179000107.4L179 F180 L181 L210 I211 V270 E271 V272L179-I229 HydrophobicContact CD2-CG2 4.09Å; F180-I229 CarbonylContact O-C 3.45Å; F180-I229 WeakPolarHBondContact O-CA 3.4Å; L181-I229 HydrophobicContact CB-CG1 4.23Å; L210-I229 HydrophobicContact CB-CB 4.35Å; L210-I229 WeakPolarHBondContact CB-O 3.24Å; L210-I229 HydrophobicContact CD1-CB 4.49Å; L210-I229 HydrophobicContact CD1-CG2 3.83Å; L210-I229 HydrophobicContact CG-CG2 4.42Å; L210-I229 PolarHBondContact N-O 2.04Å; I211-I229 HydrophobicContact CG1-CB 4.25Å; I211-I229 HydrophobicContact CG1-CG1 4.2Å; I229-V270 HydrophobicContact CD1-CB 4.26Å; I229-V270 HydrophobicContact CD1-CG2 4.09Å; I229-V270 HydrophobicContact CG1-CB 4.28Å; I229-V270 HydrophobicContact CG1-CG2 3.75Å; I229-E271 VanDerWaalsContact CD1-C 3.4Å; I229-V272 HydrophobicContact CD1-CB 4.08Å; I229-V272 HydrophobicContact CD1-CG1 4Å; I229-V272 HydrophobicContact CG2-CG1 4.15Å
230V98.9Very high95.5Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-125.9126.3179.9-171.70000108.7L179 F180 F184 L201 F207 K208 W209L179-V230 WeakPolarHBondContact CA-O 3.07Å; F180-V230 HydrophobicContact CB-CB 4.2Å; F180-V230 HydrophobicContact CD2-CB 4.48Å; F180-V230 PolarHBondContact N-O 3.35Å; F180-V230 PolarHBondContact O-N 3.14Å; F184-V230 HydrophobicContact CE2-CG2 4.14Å; L201-V230 HydrophobicContact CD2-CG2 4.44Å; F207-V230 HydrophobicContact CB-CG1 3.72Å; F207-V230 HydrophobicContact CD1-CG1 4.31Å; F207-V230 HydrophobicContact CG-CG1 4.39Å; K208-V230 WeakPolarHBondContact O-CA 3.33Å; W209-V230 HydrophobicContact CD2-CG2 3.54Å; W209-V230 HydrophobicContact CE3-CG2 3.9Å; W209-V230 HydrophobicContact CG-CG1 4.22Å; W209-V230 HydrophobicContact CG-CG2 3.94Å; W209-V230 HydrophobicContact CH2-CG2 4.27Å; W209-V230 HydrophobicContact CZ2-CG2 3.95Å; W209-V230 HydrophobicContact CZ3-CG2 4.26Å
231A98.4Very high95.8Very high0 Ų045.8 Ų45.80%022%0.218CC..EExtended strand (participates in β ladder)trans-111.5136.2-179.300000111.7M178 L179 K208 L210 L236 L240M178-A231 WeakPolarHBondContact O-CA 3.46Å; L179-A231 HydrophobicContact CD2-CB 3.68Å; K208-A231 PolarHBondContact N-O 2.76Å; K208-A231 PolarHBondContact O-N 2.93Å; L210-A231 HydrophobicContact CD1-CB 4.12Å; L210-A231 HydrophobicContact CD2-CB 4.44Å; L210-A231 HydrophobicContact CG-CB 4.39Å; A231-L236 HydrophobicContact CB-CD2 4.27Å; A231-L240 HydrophobicContact CB-CD1 4.35Å
232C97.5Very high96.1Very high0 Ų042.2 Ų42.20%020%0.204CC..  trans-122.8174.4164.963.80000110.9Y166 D176 M178 V206 F207 L236Y166-C232 HydrophobicContact CE2-CB 4.42Å; D176-C232 CarbonylContact O-C 3.56Å; D176-C232 PolarHBondContact O-SG 3.4Å; M178-C232 PolarHBondContact O-N 3.16Å; V206-C232 HydrophobicContact CG1-CB 3.94Å; F207-C232 HydrophobicContact CD1-CB 3.81Å; F207-C232 HydrophobicContact CE1-CB 4.05Å; C232-L236 WeakPolarHBondContact O-CD2 3.33Å
233G96.1Very high96.1Very high2 Ų249.3 Ų49.32%0.02123%0.232CC..SBendtrans88.1131-175.700000113.5D176 R235 R237D176-G233 VanDerWaalsContact O-CA 3.23Å; D176-G233 WeakPolarHBondContact O-CA 3.43Å; D176-G233 PolarHBondContact O-N 3.02Å; D176-G233 VanDerWaalsContact O-N 3.1Å; D176-G233 WeakPolarHBondContact OD2-CA 3.49Å; G233-R235 VanDerWaalsContact C-N 3.31Å; G233-R235 PolarHBondContact O-N 3.37Å; G233-R237 WeakPolarHBondContact O-CB 3.38Å; G233-R237 VanDerWaalsContact O-CG 3.23Å; G233-R237 WeakPolarHBondContact O-CG 3.25Å; G233-R237 PolarHBondContact O-N 2.92Å; G233-R237 VanDerWaalsContact O-N 3.15Å; G233-R237 PolarHBondContact O-NE 3.32Å; G233-R237 VanDerWaalsContact O-NE 3.16Å
234A93.8Very high96.2Very high39 Ų3944.4 Ų44.432%0.32221%0.207SC..Hα-helixtrans-69.4-30.9-176.500000112.4R238A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 VanDerWaalsContact O-CZ 3.24Å; A234-R238 PolarHBondContact O-N 3.11Å; A234-R238 PolarHBondContact O-NH1 3.24Å
235R91.7Very high96.2Very high147 Ų14745.5 Ų45.556%0.55522%0.216SC*.Hα-helixtrans-73.4-53.8179-81.8-178.5-97.9-119.7-2110.3D177 G233 R237 R238 S239D177-R235 WeakPolarHBondContact OD1-CB 3.3Å; D177-R235 PolarHBondContact OD1-N 3.49Å; D177-R235 WeakPolarHBondContact OD2-CB 3.1Å; D177-R235 IonicContact OD2-NE 2.92Å; G233-R235 VanDerWaalsContact C-N 3.31Å; G233-R235 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.29Å; R235-R238 WeakPolarHBondContact O-CB 3.35Å; R235-R238 PolarHBondContact O-N 3.11Å; R235-S239 PolarHBondContact O-N 3.43Å; R235-S239 VanDerWaalsContact O-N 3.12Å; R235-S239 PolarHBondContact O-OG 3.34Å; R235-S239 VanDerWaalsContact O-OG 3.06Å
236L93.8Very high96.2Very high8 Ų848.9 Ų48.94%0.04224%0.237CC..Hα-helixtrans-53.1-46.9176.9176.557.5000111.9L143 D177 M178 L179 A231 C232 R238 S239 L240 L274L143-L236 HydrophobicContact CD1-CD1 3.73Å; L143-L236 HydrophobicContact CD1-CD2 3.76Å; L143-L236 HydrophobicContact CD1-CG 4.34Å; D177-L236 HydrophobicContact CB-CB 4.04Å; D177-L236 WeakPolarHBondContact OD1-CB 3.44Å; D177-L236 PolarHBondContact OD1-N 3.43Å; M178-L236 WeakPolarHBondContact O-CD2 3.44Å; L179-L236 HydrophobicContact CD2-CD2 3.83Å; L179-L236 HydrophobicContact CG-CD2 3.86Å; A231-L236 HydrophobicContact CB-CD2 4.27Å; C232-L236 WeakPolarHBondContact O-CD2 3.33Å; L236-R238 VanDerWaalsContact C-N 3.28Å; L236-R238 PolarHBondContact O-N 3.07Å; L236-S239 WeakPolarHBondContact O-CA 3.35Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 3.38Å; L236-L240 PolarHBondContact O-N 2.94Å; L236-L240 VanDerWaalsContact O-N 3.14Å; L236-L274 HydrophobicContact CD1-CD1 3.73Å; L236-L274 HydrophobicContact CD1-CD2 3.73Å; L236-L274 HydrophobicContact CD1-CG 4.42Å
237R94.2Very high96.1Very high98 Ų9849.1 Ų49.137%0.3724%0.241SC..Hα-helixtrans-59.8-33.3178.5-73.1-176.7-63169.4-1.5113.8G233 R235 L240G233-R237 WeakPolarHBondContact O-CB 3.38Å; G233-R237 VanDerWaalsContact O-CG 3.23Å; G233-R237 WeakPolarHBondContact O-CG 3.25Å; G233-R237 PolarHBondContact O-N 2.92Å; G233-R237 VanDerWaalsContact O-N 3.15Å; G233-R237 PolarHBondContact O-NE 3.32Å; G233-R237 VanDerWaalsContact O-NE 3.16Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.29Å; R237-L240 HydrophobicContact CG-CD1 4.49Å
238R93.2Very high96.1Very high159 Ų15950.3 Ų50.360%0.625%0.246SC*.Hα-helixtrans-72.9-30.9174.3-74.8-172.5-63.4-92.32.8112.3A234 R235 L236 L240 K275A234-R238 WeakPolarHBondContact O-CG 3.41Å; A234-R238 VanDerWaalsContact O-CZ 3.24Å; A234-R238 PolarHBondContact O-N 3.11Å; A234-R238 PolarHBondContact O-NH1 3.24Å; R235-R238 WeakPolarHBondContact O-CB 3.35Å; R235-R238 PolarHBondContact O-N 3.11Å; L236-R238 VanDerWaalsContact C-N 3.28Å; L236-R238 PolarHBondContact O-N 3.07Å; R238-L240 VanDerWaalsContact C-N 3.32Å; R238-K275 PolarHBondContact O-NZ 3.37Å
239S92.7Very high96.1Very high11 Ų1153.1 Ų53.18%0.07726%0.261CS..Hα-helixtrans-73.2-22178-50.80000112.7R235 L236 K241 L274 K275 H277R235-S239 PolarHBondContact O-N 3.43Å; R235-S239 VanDerWaalsContact O-N 3.12Å; R235-S239 PolarHBondContact O-OG 3.34Å; R235-S239 VanDerWaalsContact O-OG 3.06Å; L236-S239 WeakPolarHBondContact O-CA 3.35Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 3.38Å; S239-K241 PolarHBondContact O-N 2.98Å; S239-L274 CarbonylContact O-C 3.56Å; S239-L274 WeakPolarHBondContact O-CA 3.27Å; S239-K275 WeakPolarHBondContact O-CB 3.26Å; S239-K275 VanDerWaalsContact O-CG 3.25Å; S239-K275 WeakPolarHBondContact O-CG 3.4Å; S239-K275 PolarHBondContact O-N 3.29Å; S239-H277 PolarHBondContact OG-CE1 2.73Å
240L94.6Very high96.1Very high14 Ų1453 Ų537%0.07326%0.261CS..BIsolated β-bridgetrans-54.3125.6175.5-65.9169.7000111.6K208 L210 A231 L236 R237 R238 P242 V272 L274 K275K208-L240 HydrophobicContact CD-CD1 4.38Å; L210-L240 HydrophobicContact CD1-CD1 4.18Å; L210-L240 HydrophobicContact CD1-CD2 3.71Å; L210-L240 HydrophobicContact CD2-CD1 3.78Å; A231-L240 HydrophobicContact CB-CD1 4.35Å; L236-L240 PolarHBondContact O-N 2.94Å; L236-L240 VanDerWaalsContact O-N 3.14Å; R237-L240 HydrophobicContact CG-CD1 4.49Å; R238-L240 VanDerWaalsContact C-N 3.32Å; L240-P242 WeakPolarHBondContact O-CD 3.29Å; L240-V272 HydrophobicContact CD2-CG2 3.57Å; L240-L274 HydrophobicContact CD2-CD2 3.7Å; L240-L274 HydrophobicContact CG-CD2 4.45Å; L240-K275 WeakPolarHBondContact O-CE 3.01Å; L240-K275 PolarHBondContact O-NZ 2.69Å; L240-K275 VanDerWaalsContact O-NZ 3.17Å
241K95.4Very high96.1Very high114 Ų11455 Ų5550%0.49627%0.27SS..PPolyproline II helixtrans-69.3122.8167.9-176.2-178.6177.1-170.60107.7S239 Q243 S244 T273 K275S239-K241 PolarHBondContact O-N 2.98Å; K241-Q243 PolarHBondContact O-N 2.96Å; K241-S244 WeakPolarHBondContact O-CB 3.47Å; K241-S244 PolarHBondContact O-N 3.32Å; K241-S244 PolarHBondContact O-OG 2.86Å; K241-T273 HydrophobicContact CB-CG2 4.2Å; K241-T273 VanDerWaalsContact CB-O 3.25Å; K241-T273 WeakPolarHBondContact CB-O 3.18Å; K241-T273 HydrophobicContact CD-CG2 3.9Å; K241-T273 PolarHBondContact N-O 2.82Å; K241-K275 HydrophobicContact CB-CG 4.3Å
242P94.6Very high96Very high94 Ų9462.5 Ų62.561%0.6131%0.305SS*.THydrogen-bonded Turntrans-53.8139.3179.7-26.234.7000111.5L240 S244L240-P242 WeakPolarHBondContact O-CD 3.29Å; P242-S244 PolarHBondContact O-N 3.23Å
243Q94Very high96.1Very high199 Ų19967.6 Ų67.693%0.9333%0.329SS*.THydrogen-bonded Turntrans57.120.5176.8-58.8171.3-36.900114.9K241K241-Q243 PolarHBondContact O-N 2.96Å
244S97.8Very high96.1Very high14 Ų1470.4 Ų70.410%0.09834%0.341CS..  trans-90.1-1017665.90000114K241 P242 T273K241-S244 WeakPolarHBondContact O-CB 3.47Å; K241-S244 PolarHBondContact O-N 3.32Å; K241-S244 PolarHBondContact O-OG 2.86Å; P242-S244 PolarHBondContact O-N 3.23Å; S244-T273 PolarHBondContact OG-N 2.79Å; S244-T273 PolarHBondContact OG-O 2.78Å
245A98.5Very high96.3Very high28 Ų2871.7 Ų71.723%0.23136%0.358CS..  trans-83.1116.2176.300000109.4L210 I211 E271 V272L210-A245 HydrophobicContact CB-CB 3.61Å; I211-A245 HydrophobicContact CD1-CB 4.25Å; A245-E271 WeakPolarHBondContact CA-O 3.44Å; A245-V272 HydrophobicContact CB-CB 4.33Å; A245-V272 HydrophobicContact CB-CG2 4.16Å
246T98.5Very high96.6Very high71 Ų7165.8 Ų65.844%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-156.8175.4-172.7-1630000111.5E271T246-E271 HydrophobicContact CG2-CG 3.76Å; T246-E271 PolarHBondContact N-O 2.95Å; T246-E271 VanDerWaalsContact N-O 3.14Å; T246-E271 PolarHBondContact O-N 3.43Å
247V98.8Very high96.8Very high32 Ų3269.4 Ų69.419%0.19436%0.357CS..EExtended strand (participates in β ladder)trans-93.3133.7171.6-176.30000107.8A215 T217 D249 F268 V270A215-V247 HydrophobicContact CB-CG2 4.11Å; T217-V247 HydrophobicContact CG2-CG2 3.93Å; V247-D249 PolarHBondContact O-N 2.93Å; V247-F268 HydrophobicContact CG1-CB 3.35Å; V247-F268 HydrophobicContact CG1-CD2 4.02Å; V247-F268 HydrophobicContact CG1-CG 3.94Å; V247-V270 HydrophobicContact CG2-CG1 4.4Å
248H98.6Very high97Very high24 Ų2468 Ų6811%0.11135%0.354CS..  trans-92.992.1176.8-170.3-133.3000110R23 Y53 F250 E253 P269 E271R23-H248 PolarHBondContact NH2-NE2 2.87Å; Y53-H248 WeakPolarHBondContact OH-CB 3.06Å; Y53-H248 PolarHBondContact OH-ND1 3.28Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.03Å; H248-E253 IonicContact CE1-OE2 3.85Å; H248-E253 PolarHBondContact CE1-OE2 3.44Å; H248-E253 IonicContact ND1-OE2 3.8Å; H248-E253 IonicContact NE2-OE2 3.45Å; H248-E253 PolarHBondContact NE2-OE2 2.89Å; H248-P269 HydrophobicContact CB-CB 4.02Å; H248-P269 HydrophobicContact CB-CG 4.15Å; H248-P269 PolarHBondContact N-O 3.12Å; H248-P269 WeakPolarHBondContact O-CD 3.36Å; H248-E271 IonicContact CD2-OE2 3.84Å; H248-E271 IonicContact CG-OE2 3.94Å
249D98.4Very high97.2Very high60 Ų6065.6 Ų65.632%0.32136%0.358SS..  trans-72.587.3177.3-169.9-24.1000110.7V247 Q251 E252 E253 F268V247-D249 PolarHBondContact O-N 2.93Å; D249-Q251 PolarHBondContact O-N 3.06Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.15Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.49Å; D249-Q251 PolarHBondContact OD1-N 3.31Å; D249-E252 HydrophobicContact CB-CB 4.3Å; D249-E252 PolarHBondContact O-N 2.87Å; D249-E252 PolarHBondContact OD1-N 3.29Å; D249-E253 WeakPolarHBondContact O-CB 3.11Å; D249-E253 PolarHBondContact O-N 2.82Å; D249-F268 HydrophobicContact CB-CE1 4.35Å; D249-F268 HydrophobicContact CB-CZ 4.49Å; D249-F268 VanDerWaalsContact OD1-CE1 3.3Å; D249-F268 WeakPolarHBondContact OD1-CE1 3.34Å; D249-F268 WeakPolarHBondContact OD1-CZ 3.46Å
250F98.4Very high97.4Very high0 Ų069.7 Ų69.70%038%0.376CS..Hα-helixtrans-69.8-19.917767.4-107.3000112.2F27 I49 V219 H248 F254 L256 A261 I264 H267 F268 P269F27-F250 HydrophobicContact CE2-CE1 4.05Å; F27-F250 HydrophobicContact CZ-CD1 4.22Å; F27-F250 AromaticContact CZ-CE1 3.82Å; F27-F250 HydrophobicContact CZ-CE1 3.82Å; I49-F250 HydrophobicContact CD1-CB 3.63Å; I49-F250 HydrophobicContact CD1-CD1 3.95Å; I49-F250 HydrophobicContact CD1-CD2 4.35Å; I49-F250 HydrophobicContact CD1-CG 3.73Å; I49-F250 HydrophobicContact CG1-CB 4.1Å; V219-F250 HydrophobicContact CG2-CE1 4.07Å; V219-F250 HydrophobicContact CG2-CZ 3.74Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.03Å; F250-F254 HydrophobicContact CB-CD2 3.93Å; F250-F254 HydrophobicContact CB-CE2 4.04Å; F250-F254 WeakPolarHBondContact O-CB 3.24Å; F250-F254 VanDerWaalsContact O-CD2 3.23Å; F250-F254 WeakPolarHBondContact O-CD2 3.48Å; F250-F254 PolarHBondContact O-N 2.76Å; F250-L256 HydrophobicContact CD2-CD1 4.01Å; F250-L256 HydrophobicContact CE2-CD1 4.34Å; F250-A261 HydrophobicContact CE2-CB 3.98Å; F250-I264 HydrophobicContact CD2-CD1 4.03Å; F250-I264 HydrophobicContact CE2-CB 4.04Å; F250-I264 HydrophobicContact CE2-CD1 3.8Å; F250-I264 HydrophobicContact CE2-CG2 4.13Å; F250-I264 HydrophobicContact CZ-CB 4.19Å; F250-I264 HydrophobicContact CZ-CG2 4.05Å; F250-H267 WeakPolarHBondContact CE1-O 2.92Å; F250-F268 AromaticContact CD1-CD1 3.63Å; F250-F268 HydrophobicContact CD1-CD1 3.63Å; F250-F268 HydrophobicContact CD1-CE1 4.15Å; F250-F268 AromaticContact CE1-CD1 3.61Å; F250-F268 HydrophobicContact CE1-CD1 3.61Å; F250-F268 HydrophobicContact CE1-CE1 4.1Å; F250-F268 HydrophobicContact CG-CD1 4.29Å; F250-F268 HydrophobicContact CG-CE1 4.42Å; F250-F268 HydrophobicContact CZ-CD1 4.25Å; F250-F268 HydrophobicContact CZ-CE1 4.32Å; F250-P269 HydrophobicContact CD1-CG 4.45Å
251Q98.4Very high97.6Very high40 Ų4069 Ų6919%0.18737%0.372CS..Hα-helixtrans-68.1-47.3177.3176.5177.7-2.800109.3D249 G255 L256 A261 F268D249-Q251 PolarHBondContact O-N 3.06Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.15Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.49Å; D249-Q251 PolarHBondContact OD1-N 3.31Å; Q251-G255 WeakPolarHBondContact O-CA 3.48Å; Q251-G255 PolarHBondContact O-N 3.18Å; Q251-G255 VanDerWaalsContact O-N 3.08Å; Q251-L256 HydrophobicContact CG-CB 4.27Å; Q251-L256 VanDerWaalsContact CG-O 3.32Å; Q251-L256 WeakPolarHBondContact CG-O 3.14Å; Q251-L256 PolarHBondContact O-N 3.08Å; Q251-A261 HydrophobicContact CB-CB 3.83Å; Q251-A261 HydrophobicContact CG-CB 3.79Å; Q251-F268 HydrophobicContact CB-CE1 3.98Å; Q251-F268 HydrophobicContact CB-CZ 4.16Å
252E98.1Very high97.7Very high158 Ų15866.6 Ų66.674%0.73836%0.364SS*.Hα-helixtrans-64.7-48.3172.5-172.3178-178.200111.3D249 F254 G255D249-E252 HydrophobicContact CB-CB 4.3Å; D249-E252 PolarHBondContact O-N 2.87Å; D249-E252 PolarHBondContact OD1-N 3.29Å; E252-F254 VanDerWaalsContact C-N 3.34Å; E252-F254 PolarHBondContact O-N 2.75Å; E252-G255 PolarHBondContact O-N 3.44Å
253E98.2Very high97.9Very high107 Ų10764.1 Ų64.150%0.535%0.352SS..Hα-helixtrans-56.6-45.1-176.5-171.7-169.5-177.400112.6H248 D249H248-E253 IonicContact CE1-OE2 3.85Å; H248-E253 PolarHBondContact CE1-OE2 3.44Å; H248-E253 IonicContact ND1-OE2 3.8Å; H248-E253 IonicContact NE2-OE2 3.45Å; H248-E253 PolarHBondContact NE2-OE2 2.89Å; D249-E253 WeakPolarHBondContact O-CB 3.11Å; D249-E253 PolarHBondContact O-N 2.82Å
254F97.6Very high98.1Very high61 Ų6154.7 Ų54.727%0.26831%0.308SS..Hα-helixtrans-96.53.5-177.5-62.1-68.8000113.7I45 K48 I49 F250 E252 L256I45-F254 HydrophobicContact CG2-CD2 3.7Å; I45-F254 HydrophobicContact CG2-CE2 3.93Å; I45-F254 HydrophobicContact CG2-CG 4.2Å; K48-F254 HydrophobicContact CB-CE1 4.28Å; K48-F254 HydrophobicContact CB-CZ 4.06Å; K48-F254 HydrophobicContact CD-CE1 4.13Å; I49-F254 HydrophobicContact CD1-CE2 4.24Å; I49-F254 HydrophobicContact CG1-CE2 3.6Å; I49-F254 HydrophobicContact CG1-CZ 4.23Å; F250-F254 HydrophobicContact CB-CD2 3.93Å; F250-F254 HydrophobicContact CB-CE2 4.04Å; F250-F254 WeakPolarHBondContact O-CB 3.24Å; F250-F254 VanDerWaalsContact O-CD2 3.23Å; F250-F254 WeakPolarHBondContact O-CD2 3.48Å; F250-F254 PolarHBondContact O-N 2.76Å; E252-F254 VanDerWaalsContact C-N 3.34Å; E252-F254 PolarHBondContact O-N 2.75Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 HydrophobicContact CB-CD1 4.16Å; F254-L256 HydrophobicContact CB-CD2 3.99Å; F254-L256 HydrophobicContact CB-CG 3.8Å; F254-L256 PolarHBondContact O-N 3.14Å
255G97.9Very high98.2Very high67 Ų6754 Ų5469%0.69130%0.303SS*.THydrogen-bonded Turntrans60.441.717900000113Q251 E252Q251-G255 WeakPolarHBondContact O-CA 3.48Å; Q251-G255 PolarHBondContact O-N 3.18Å; Q251-G255 VanDerWaalsContact O-N 3.08Å; E252-G255 PolarHBondContact O-N 3.44Å
256L98.1Very high98.1Very high23 Ų2355 Ų5512%0.1231%0.305CS..  trans-86.1144.3-175.8-54.9179000111.1I45 F250 Q251 F254 Q260 A261 I264I45-L256 HydrophobicContact CD1-CD1 4.07Å; I45-L256 HydrophobicContact CD1-CD2 3.82Å; F250-L256 HydrophobicContact CD2-CD1 4.01Å; F250-L256 HydrophobicContact CE2-CD1 4.34Å; Q251-L256 HydrophobicContact CG-CB 4.27Å; Q251-L256 VanDerWaalsContact CG-O 3.32Å; Q251-L256 WeakPolarHBondContact CG-O 3.14Å; Q251-L256 PolarHBondContact O-N 3.08Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 HydrophobicContact CB-CD1 4.16Å; F254-L256 HydrophobicContact CB-CD2 3.99Å; F254-L256 HydrophobicContact CB-CG 3.8Å; F254-L256 PolarHBondContact O-N 3.14Å; L256-Q260 HydrophobicContact CB-CB 4.02Å; L256-Q260 HydrophobicContact CD2-CB 4.32Å; L256-A261 HydrophobicContact CB-CB 4.37Å; L256-I264 HydrophobicContact CD1-CD1 3.35Å
257D97.6Very high98.2Very high84 Ų8452.3 Ų52.345%0.44929%0.287SS..  trans-73.1166.2162.97443.5000111.2T259 Q260 A261D257-T259 PolarHBondContact O-N 3.33Å; D257-T259 WeakPolarHBondContact OD1-CA 3.39Å; D257-T259 WeakPolarHBondContact OD1-CB 3.21Å; D257-T259 PolarHBondContact OD1-N 3.49Å; D257-Q260 PolarHBondContact O-N 3.06Å; D257-Q260 WeakPolarHBondContact OD1-CG 3.47Å; D257-Q260 PolarHBondContact OD1-N 3.4Å; D257-A261 PolarHBondContact O-N 3.28Å
258Q97.2Very high98.2Very high67 Ų6751.4 Ų51.431%0.31328%0.281SS..Hα-helixtrans-55.2-36.9-178.7-170.264.838.400113.2V219 L262V219-Q258 PolarHBondContact O-NE2 3.49Å; Q258-L262 HydrophobicContact CG-CD1 4Å; Q258-L262 WeakPolarHBondContact O-CB 3.48Å; Q258-L262 VanDerWaalsContact O-CG 3.25Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 3.2Å
259T97.6Very high98.2Very high109 Ų10950.3 Ų50.367%0.66928%0.275SS*.Hα-helixtrans-73.1-40.9-177.1-59.70000110.4D257 A263D257-T259 PolarHBondContact O-N 3.33Å; D257-T259 WeakPolarHBondContact OD1-CA 3.39Å; D257-T259 WeakPolarHBondContact OD1-CB 3.21Å; D257-T259 PolarHBondContact OD1-N 3.49Å; T259-A263 WeakPolarHBondContact O-CB 3.45Å; T259-A263 PolarHBondContact O-N 3.05Å
260Q98Very high98.2Very high97 Ų9747.4 Ų47.445%0.45326%0.26SS..Hα-helixtrans-65.1-42.4175.2-67.6174.4-43.400111.7L256 D257 A263 I264L256-Q260 HydrophobicContact CB-CB 4.02Å; L256-Q260 HydrophobicContact CD2-CB 4.32Å; D257-Q260 PolarHBondContact O-N 3.06Å; D257-Q260 WeakPolarHBondContact OD1-CG 3.47Å; D257-Q260 PolarHBondContact OD1-N 3.4Å; Q260-A263 WeakPolarHBondContact O-CB 3.49Å; Q260-A263 PolarHBondContact O-N 3.38Å; Q260-I264 PolarHBondContact O-N 2.77Å
261A98.3Very high98.2Very high0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-63.9-48.417800000111.6V219 F250 Q251 L256 D257 A263 I264 S265V219-A261 HydrophobicContact CG1-CB 3.57Å; F250-A261 HydrophobicContact CE2-CB 3.98Å; Q251-A261 HydrophobicContact CB-CB 3.83Å; Q251-A261 HydrophobicContact CG-CB 3.79Å; L256-A261 HydrophobicContact CB-CB 4.37Å; D257-A261 PolarHBondContact O-N 3.28Å; A261-A263 VanDerWaalsContact C-N 3.25Å; A261-A263 PolarHBondContact O-N 3.27Å; A261-I264 WeakPolarHBondContact O-CB 3.41Å; A261-I264 PolarHBondContact O-N 3.18Å; A261-S265 PolarHBondContact O-N 3.02Å; A261-S265 VanDerWaalsContact O-N 3.11Å
262L98.1Very high98.2Very high63 Ų6346.3 Ų46.333%0.3326%0.255SS..Hα-helixtrans-64-27176.2-72.7171.4000113.5V219 Q258 I264 D266V219-L262 HydrophobicContact CB-CD2 4.16Å; V219-L262 HydrophobicContact CG1-CD2 3.98Å; V219-L262 HydrophobicContact CG1-CG 4.17Å; Q258-L262 HydrophobicContact CG-CD1 4Å; Q258-L262 WeakPolarHBondContact O-CB 3.48Å; Q258-L262 VanDerWaalsContact O-CG 3.25Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 3.2Å; L262-I264 VanDerWaalsContact C-N 3.27Å; L262-I264 PolarHBondContact O-N 3.25Å; L262-D266 HydrophobicContact CD2-CB 4.22Å
263A97.9Very high98.2Very high43 Ų4339.7 Ų39.736%0.35523%0.225SC..Hα-helixtrans-66.4-32.7173.300000111.9K36 C42 T259 Q260 A261K36-A263 WeakPolarHBondContact CE-O 3.08Å; K36-A263 PolarHBondContact NZ-O 2.8Å; C42-A263 PolarHBondContact SG-O 2.76Å; T259-A263 WeakPolarHBondContact O-CB 3.45Å; T259-A263 PolarHBondContact O-N 3.05Å; Q260-A263 WeakPolarHBondContact O-CB 3.49Å; Q260-A263 PolarHBondContact O-N 3.38Å; A261-A263 VanDerWaalsContact C-N 3.25Å; A261-A263 PolarHBondContact O-N 3.27Å
264I98.4Very high98Very high1 Ų135 Ų351%0.00520%0.204CC..Hα-helixtrans-71.5-64.3174.2-63.9159.5000109.3F27 K36 I45 I46 F250 L256 Q260 A261 L262F27-I264 HydrophobicContact CZ-CG2 4.19Å; K36-I264 PolarHBondContact NZ-O 2.77Å; K36-I264 VanDerWaalsContact NZ-O 3.11Å; I45-I264 HydrophobicContact CB-CD1 3.97Å; I45-I264 HydrophobicContact CD1-CD1 3.88Å; I45-I264 HydrophobicContact CG2-CD1 3.59Å; I46-I264 HydrophobicContact CD1-CG2 4.41Å; I46-I264 HydrophobicContact CG1-CG2 3.83Å; F250-I264 HydrophobicContact CD2-CD1 4.03Å; F250-I264 HydrophobicContact CE2-CB 4.04Å; F250-I264 HydrophobicContact CE2-CD1 3.8Å; F250-I264 HydrophobicContact CE2-CG2 4.13Å; F250-I264 HydrophobicContact CZ-CB 4.19Å; F250-I264 HydrophobicContact CZ-CG2 4.05Å; L256-I264 HydrophobicContact CD1-CD1 3.35Å; Q260-I264 PolarHBondContact O-N 2.77Å; A261-I264 WeakPolarHBondContact O-CB 3.41Å; A261-I264 PolarHBondContact O-N 3.18Å; L262-I264 VanDerWaalsContact C-N 3.27Å; L262-I264 PolarHBondContact O-N 3.25Å
265S98.5Very high97.7Very high0 Ų036.4 Ų36.40%021%0.209CC..  trans-159.3159.3177.5-163.10000110.9N28 I29 Q30 V219 A261 H267N28-S265 PolarHBondContact O-OG 3.13Å; I29-S265 WeakPolarHBondContact CA-OG 3.45Å; Q30-S265 PolarHBondContact N-OG 3.48Å; Q30-S265 VanDerWaalsContact N-OG 3.07Å; V219-S265 WeakPolarHBondContact CG2-O 3.31Å; A261-S265 PolarHBondContact O-N 3.02Å; A261-S265 VanDerWaalsContact O-N 3.11Å; S265-H267 PolarHBondContact OG-N 3.03Å
266D98.4Very high96.6Very high48 Ų4835.5 Ų35.526%0.25719%0.193SC..SBendtrans-88.5-2.8168.351.6-9.1000113.6Q30 V219 L262Q30-D266 WeakPolarHBondContact CB-OD1 3.46Å; Q30-D266 VanDerWaalsContact NE2-CG 3.29Å; Q30-D266 PolarHBondContact NE2-OD2 3.26Å; V219-D266 PolarHBondContact N-O 3.16Å; L262-D266 HydrophobicContact CD2-CB 4.22Å
267H98.8Very high94.8Very high15 Ų1537.9 Ų37.97%0.06920%0.203CC..BIsolated β-bridgetrans-115.2148.2173.5-70.7-110.6000111.5F27 N28 D183 T217 D227 F250 S265F27-H267 VanDerWaalsContact CE2-O 3.27Å; F27-H267 WeakPolarHBondContact CE2-O 3.42Å; N28-H267 HydrophobicContact CB-CB 4.06Å; D183-H267 IonicContact OD1-CE1 2.65Å; D183-H267 IonicContact OD2-CE1 2.67Å; D183-H267 PolarHBondContact OD2-CE1 3.48Å; D183-H267 IonicContact OD2-NE2 3.24Å; T217-H267 CarbonylContact O-C 3.56Å; T217-H267 WeakPolarHBondContact O-CA 3.32Å; D227-H267 IonicContact OD1-ND1 3.14Å; D227-H267 IonicContact OD2-CE1 3.57Å; D227-H267 IonicContact OD2-CG 3.72Å; D227-H267 IonicContact OD2-ND1 3.29Å; D227-H267 PolarHBondContact OD2-ND1 3.45Å; F250-H267 WeakPolarHBondContact CE1-O 2.92Å; S265-H267 PolarHBondContact OG-N 3.03Å
268F98.9Very high92.4Very high13 Ų1348.6 Ų48.66%0.05724%0.237CC..PPolyproline II helixtrans-89.4145.6164.5-70.6-59.8000110T217 T218 V219 V247 D249 F250 Q251T217-F268 PolarHBondContact O-N 3.34Å; T218-F268 WeakPolarHBondContact O-CD2 3.16Å; T218-F268 WeakPolarHBondContact O-CE2 3.28Å; V219-F268 HydrophobicContact CB-CE2 4.48Å; V219-F268 HydrophobicContact CB-CZ 4.28Å; V219-F268 HydrophobicContact CG1-CZ 4.41Å; V219-F268 HydrophobicContact CG2-CD1 3.74Å; V219-F268 HydrophobicContact CG2-CD2 4.18Å; V219-F268 HydrophobicContact CG2-CE1 3.66Å; V219-F268 HydrophobicContact CG2-CE2 4.11Å; V219-F268 HydrophobicContact CG2-CG 4.01Å; V219-F268 HydrophobicContact CG2-CZ 3.85Å; V247-F268 HydrophobicContact CG1-CB 3.35Å; V247-F268 HydrophobicContact CG1-CD2 4.02Å; V247-F268 HydrophobicContact CG1-CG 3.94Å; D249-F268 HydrophobicContact CB-CE1 4.35Å; D249-F268 HydrophobicContact CB-CZ 4.49Å; D249-F268 VanDerWaalsContact OD1-CE1 3.3Å; D249-F268 WeakPolarHBondContact OD1-CE1 3.34Å; D249-F268 WeakPolarHBondContact OD1-CZ 3.46Å; F250-F268 AromaticContact CD1-CD1 3.63Å; F250-F268 HydrophobicContact CD1-CD1 3.63Å; F250-F268 HydrophobicContact CD1-CE1 4.15Å; F250-F268 AromaticContact CE1-CD1 3.61Å; F250-F268 HydrophobicContact CE1-CD1 3.61Å; F250-F268 HydrophobicContact CE1-CE1 4.1Å; F250-F268 HydrophobicContact CG-CD1 4.29Å; F250-F268 HydrophobicContact CG-CE1 4.42Å; F250-F268 HydrophobicContact CZ-CD1 4.25Å; F250-F268 HydrophobicContact CZ-CE1 4.32Å; Q251-F268 HydrophobicContact CB-CE1 3.98Å; Q251-F268 HydrophobicContact CB-CZ 4.16Å
269P98.9Very high92.2Very high0 Ų047.7 Ų47.70%023%0.233CC..PPolyproline II helixtrans-58.8142.2167.9-14.221.9000111.4A26 F27 I49 Y53 H248 F250A26-P269 CarbonylContact O-C 3.49Å; A26-P269 VanDerWaalsContact O-CA 3.24Å; A26-P269 WeakPolarHBondContact O-CA 3.33Å; F27-P269 HydrophobicContact CB-CB 4.05Å; F27-P269 HydrophobicContact CB-CG 4.17Å; F27-P269 HydrophobicContact CD1-CG 3.84Å; F27-P269 HydrophobicContact CD2-CB 4.25Å; F27-P269 HydrophobicContact CD2-CG 3.71Å; F27-P269 HydrophobicContact CE1-CG 4.08Å; F27-P269 HydrophobicContact CE2-CG 3.99Å; F27-P269 HydrophobicContact CG-CB 4.08Å; F27-P269 HydrophobicContact CG-CG 3.65Å; F27-P269 HydrophobicContact CZ-CG 4.16Å; I49-P269 HydrophobicContact CG2-CG 3.93Å; Y53-P269 WeakPolarHBondContact OH-CB 3.38Å; H248-P269 HydrophobicContact CB-CB 4.02Å; H248-P269 HydrophobicContact CB-CG 4.15Å; H248-P269 PolarHBondContact N-O 3.12Å; H248-P269 WeakPolarHBondContact O-CD 3.36Å; F250-P269 HydrophobicContact CD1-CG 4.45Å
270V98.9Very high91.9Very high0 Ų044.4 Ų44.40%021%0.21CC..EExtended strand (participates in β ladder)trans-102.6142.5163-69.30000109.5G25 A26 I211 T217 D227 I229 V247G25-V270 CarbonylContact C-O 3.57Å; G25-V270 VanDerWaalsContact CA-O 3.31Å; G25-V270 WeakPolarHBondContact CA-O 2.99Å; A26-V270 HydrophobicContact CB-CG2 4.12Å; A26-V270 PolarHBondContact N-O 3.19Å; A26-V270 PolarHBondContact O-N 3.09Å; I211-V270 HydrophobicContact CD1-CB 3.98Å; I211-V270 HydrophobicContact CD1-CG1 4.14Å; I211-V270 HydrophobicContact CG1-CB 3.95Å; I211-V270 HydrophobicContact CG1-CG1 4Å; I211-V270 HydrophobicContact CG2-CG1 4.31Å; T217-V270 HydrophobicContact CG2-CG1 3.71Å; D227-V270 HydrophobicContact CB-CB 4.39Å; D227-V270 HydrophobicContact CB-CG1 3.63Å; D227-V270 HydrophobicContact CB-CG2 3.86Å; I229-V270 HydrophobicContact CD1-CB 4.26Å; I229-V270 HydrophobicContact CD1-CG2 4.09Å; I229-V270 HydrophobicContact CG1-CB 4.28Å; I229-V270 HydrophobicContact CG1-CG2 3.75Å; V247-V270 HydrophobicContact CG2-CG1 4.4Å
271E98.9Very high91.5Very high16 Ų1641.5 Ų41.58%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-136.2163.6-174.167.9176.2-113.100113.5R23 I24 Y53 I229 A245 T246 H248R23-E271 IonicContact CZ-OE1 3.62Å; R23-E271 IonicContact CZ-OE2 3.54Å; R23-E271 VanDerWaalsContact CZ-OE2 3.29Å; R23-E271 IonicContact NE-OE1 2.79Å; R23-E271 PolarHBondContact NE-OE1 2.66Å; R23-E271 IonicContact NE-OE2 3.38Å; R23-E271 PolarHBondContact NE-OE2 3.12Å; R23-E271 VanDerWaalsContact NH2-CD 3.33Å; R23-E271 IonicContact NH2-OE1 3.63Å; R23-E271 PolarHBondContact NH2-OE1 3.49Å; R23-E271 IonicContact NH2-OE2 2.76Å; R23-E271 PolarHBondContact NH2-OE2 3.42Å; I24-E271 CarbonylContact O-C 3.58Å; I24-E271 VanDerWaalsContact O-CA 3.24Å; I24-E271 WeakPolarHBondContact O-CA 3.48Å; Y53-E271 HydrophobicContact CE1-CB 3.75Å; Y53-E271 WeakPolarHBondContact CE1-OE2 3.01Å; Y53-E271 PolarHBondContact OH-OE2 2.93Å; I229-E271 VanDerWaalsContact CD1-C 3.4Å; A245-E271 WeakPolarHBondContact CA-O 3.44Å; T246-E271 HydrophobicContact CG2-CG 3.76Å; T246-E271 PolarHBondContact N-O 2.95Å; T246-E271 VanDerWaalsContact N-O 3.14Å; T246-E271 PolarHBondContact O-N 3.43Å; H248-E271 IonicContact CD2-OE2 3.84Å; H248-E271 IonicContact CG-OE2 3.94Å
272V98.6Very high91.1Very high1 Ų143.9 Ų43.91%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-151.3149.4170.565.90000110.4I24 L179 L210 I229 L240 A245I24-V272 HydrophobicContact CB-CG1 4.17Å; I24-V272 PolarHBondContact N-O 2.84Å; I24-V272 PolarHBondContact O-N 2.78Å; L179-V272 HydrophobicContact CD1-CG1 4.46Å; L210-V272 HydrophobicContact CD1-CB 4.35Å; L210-V272 HydrophobicContact CD1-CG2 3.81Å; I229-V272 HydrophobicContact CD1-CB 4.08Å; I229-V272 HydrophobicContact CD1-CG1 4Å; I229-V272 HydrophobicContact CG2-CG1 4.15Å; L240-V272 HydrophobicContact CD2-CG2 3.57Å; A245-V272 HydrophobicContact CB-CB 4.33Å; A245-V272 HydrophobicContact CB-CG2 4.16Å
273T97.4Very high90.7Very high18 Ų1842.8 Ų42.811%0.1120%0.201CC..EExtended strand (participates in β ladder)trans-111.8130.4173.5-57.20000111.9A21 L22 K241 S244A21-T273 HydrophobicContact CB-CG2 3.67Å; L22-T273 CarbonylContact O-C 3.56Å; L22-T273 WeakPolarHBondContact O-CA 3.48Å; K241-T273 HydrophobicContact CB-CG2 4.2Å; K241-T273 VanDerWaalsContact CB-O 3.25Å; K241-T273 WeakPolarHBondContact CB-O 3.18Å; K241-T273 HydrophobicContact CD-CG2 3.9Å; K241-T273 PolarHBondContact N-O 2.82Å; S244-T273 PolarHBondContact OG-N 2.79Å; S244-T273 PolarHBondContact OG-O 2.78Å
274L94.1Very high90.2Very high9 Ų942.7 Ų42.75%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-90.7139.5165.7-49.7-173.6000110.1A21 L22 I24 L143 L236 S239 L240A21-L274 CarbonylContact C-O 3.49Å; A21-L274 WeakPolarHBondContact CA-O 3.07Å; A21-L274 WeakPolarHBondContact CB-O 3.29Å; L22-L274 HydrophobicContact CB-CB 4.25Å; L22-L274 HydrophobicContact CD2-CD1 4.36Å; L22-L274 PolarHBondContact N-O 2.9Å; L22-L274 PolarHBondContact O-N 2.92Å; I24-L274 HydrophobicContact CD1-CD1 3.93Å; I24-L274 HydrophobicContact CD1-CG 4.11Å; L143-L274 HydrophobicContact CD2-CD1 3.84Å; L236-L274 HydrophobicContact CD1-CD1 3.73Å; L236-L274 HydrophobicContact CD1-CD2 3.73Å; L236-L274 HydrophobicContact CD1-CG 4.42Å; S239-L274 CarbonylContact O-C 3.56Å; S239-L274 WeakPolarHBondContact O-CA 3.27Å; L240-L274 HydrophobicContact CD2-CD2 3.7Å; L240-L274 HydrophobicContact CG-CD2 4.45Å
275K90.3Very high89.6Confident90 Ų9045.7 Ų45.739%0.39120%0.204SC..PPolyproline II helixtrans-62.8148.2175-65.9164-171.2155.70110R238 S239 L240 K241 H277R238-K275 PolarHBondContact O-NZ 3.37Å; S239-K275 WeakPolarHBondContact O-CB 3.26Å; S239-K275 VanDerWaalsContact O-CG 3.25Å; S239-K275 WeakPolarHBondContact O-CG 3.4Å; S239-K275 PolarHBondContact O-N 3.29Å; L240-K275 WeakPolarHBondContact O-CE 3.01Å; L240-K275 PolarHBondContact O-NZ 2.69Å; L240-K275 VanDerWaalsContact O-NZ 3.17Å; K241-K275 HydrophobicContact CB-CG 4.3Å; K275-H277 PolarHBondContact O-N 2.89Å
276S75.3Confident88.9Confident49 Ų4949.2 Ų49.234%0.34322%0.22SC..PPolyproline II helixtrans-49.5126.4159.4170.40000110.4A19 R278A19-S276 WeakPolarHBondContact O-CB 3.39Å; A19-S276 PolarHBondContact O-OG 2.97Å; S276-R278 PolarHBondContact O-N 2.73Å
277H60.6Low88.2Confident72 Ų7249.3 Ų49.333%0.33322%0.217SC..  trans-78.7113.8168.6-68.4-71.2000108.8Q141 S239 K275Q141-H277 VanDerWaalsContact CD-CE1 3.44Å; Q141-H277 PolarHBondContact NE2-CE1 3.26Å; Q141-H277 VanDerWaalsContact NE2-CG 3.28Å; Q141-H277 PolarHBondContact NE2-ND1 3.33Å; Q141-H277 PolarHBondContact NE2-NE2 2.88Å; Q141-H277 PolarHBondContact OE1-CE1 2.6Å; Q141-H277 PolarHBondContact OE1-NE2 2.81Å; S239-H277 PolarHBondContact OG-CE1 2.73Å; K275-H277 PolarHBondContact O-N 2.89Å
278R47.3Very low87.2Confident309 Ų30952.5 Ų52.5100%1.16623%0.23SC*.  trans-97.70160.8-69.5-171.1-169.5-174.54109.5S276S276-R278 PolarHBondContact O-N 2.73Å

Retrieved 278 of 278 residues in 103.8 ms (Link to these results)

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