A0A077ZNQ0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 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
1M70.7Confident91.2Very high180 Ų180142.1 Ų142.189%0.88764%0.637SS**  0-49.60-66.9-50.9-172.500114.6W3 I4M1-W3 VanDerWaalsContact C-N 3.32Å; M1-W3 PolarHBondContact O-N 3.32Å; M1-I4 PolarHBondContact O-N 3.4Å; M1-I4 HydrophobicContact SD-CD1 3.87Å
2R86.1Confident91.5Very high226 Ų226139.1 Ų139.185%0.85363%0.63SS**Hα-helixtrans-58.6-36.7-178.2-65177.380.2138.2-0.1114.7I4 W5 A6R2-I4 VanDerWaalsContact C-N 3.32Å; R2-I4 PolarHBondContact O-N 3.19Å; R2-W5 PolarHBondContact O-N 3.18Å; R2-A6 PolarHBondContact O-N 3.29Å
3W91.4Very high91.7Very high206 Ų206135.9 Ų135.978%0.7862%0.62SS**Hα-helixtrans-62.8-34.5177.6-66.989.9000113.7M1 W5 A6 Y7M1-W3 VanDerWaalsContact C-N 3.32Å; M1-W3 PolarHBondContact O-N 3.32Å; W3-W5 VanDerWaalsContact C-N 3.35Å; W3-W5 PolarHBondContact O-N 3.27Å; W3-A6 PolarHBondContact O-N 3.5Å; W3-Y7 WeakPolarHBondContact O-CD2 3.35Å; W3-Y7 PolarHBondContact O-N 3.04Å
4I93Very high91.8Very high93 Ų93136.2 Ų136.248%0.47762%0.623SS.*Hα-helixtrans-65.5-42.2179-63.7162.8000110.1M1 R2 Y7 F8M1-I4 PolarHBondContact O-N 3.4Å; M1-I4 HydrophobicContact SD-CD1 3.87Å; R2-I4 VanDerWaalsContact C-N 3.32Å; R2-I4 PolarHBondContact O-N 3.19Å; I4-Y7 PolarHBondContact O-N 3.36Å; I4-F8 HydrophobicContact CG2-CD2 4.2Å; I4-F8 HydrophobicContact CG2-CE2 4.45Å; I4-F8 PolarHBondContact O-N 3.03Å
5W93.4Very high91.9Very high199 Ų199131.7 Ų131.775%0.75461%0.613SS**Hα-helixtrans-65.2-37.6175.5-73.996.3000112.6R2 W3 F8 L9R2-W5 PolarHBondContact O-N 3.18Å; W3-W5 VanDerWaalsContact C-N 3.35Å; W3-W5 PolarHBondContact O-N 3.27Å; W5-F8 PolarHBondContact O-N 3.37Å; W5-L9 PolarHBondContact O-N 3.01Å
6A93.9Very high92Very high47 Ų47126.9 Ų126.939%0.38860%0.596SS.*Hα-helixtrans-63.4-43.517500000112R2 W3 F8 L9 I10R2-A6 PolarHBondContact O-N 3.29Å; W3-A6 PolarHBondContact O-N 3.5Å; A6-F8 PolarHBondContact O-N 3.5Å; A6-L9 PolarHBondContact O-N 3.4Å; A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 2.97Å
7Y95.3Very high92.1Very high159 Ų159121.9 Ų121.962%0.62458%0.581SS**Hα-helixtrans-61-43.7174.3-92.5-75.1000112.5W3 I4 L9 I10 L11W3-Y7 WeakPolarHBondContact O-CD2 3.35Å; W3-Y7 PolarHBondContact O-N 3.04Å; I4-Y7 PolarHBondContact O-N 3.36Å; Y7-L9 VanDerWaalsContact C-N 3.33Å; Y7-L9 PolarHBondContact O-N 3.49Å; Y7-I10 PolarHBondContact O-N 3.44Å; Y7-L11 WeakPolarHBondContact O-CG 3.28Å; Y7-L11 PolarHBondContact O-N 3.26Å
8F95.2Very high92.1Very high138 Ų138116.8 Ų116.861%0.60557%0.566SS**Hα-helixtrans-59.4-43.6175-101.5-78.9000112I4 W5 A6 I10 L11 L12I4-F8 HydrophobicContact CG2-CD2 4.2Å; I4-F8 HydrophobicContact CG2-CE2 4.45Å; I4-F8 PolarHBondContact O-N 3.03Å; W5-F8 PolarHBondContact O-N 3.37Å; A6-F8 PolarHBondContact O-N 3.5Å; F8-I10 PolarHBondContact O-N 3.03Å; F8-L11 PolarHBondContact O-N 2.91Å; F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 PolarHBondContact O-N 3.25Å
9L95.4Very high92.2Very high108 Ų108115.4 Ų115.457%0.56556%0.561SS**Hα-helixtrans-61.4-44.3177.9-165.683.8000111.6W5 A6 Y7 L12 I13W5-L9 PolarHBondContact O-N 3.01Å; A6-L9 PolarHBondContact O-N 3.4Å; Y7-L9 VanDerWaalsContact C-N 3.33Å; Y7-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-I13 HydrophobicContact CD2-CD1 4.25Å; L9-I13 HydrophobicContact CG-CD1 4.08Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.31Å
10I95.1Very high92.3Very high95 Ų95117.3 Ų117.349%0.48756%0.563SS.*Hα-helixtrans-62.7-45179.2-67.6164.3000111A6 Y7 F8 L12 I13 Q14A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 2.97Å; Y7-I10 PolarHBondContact O-N 3.44Å; F8-I10 PolarHBondContact O-N 3.03Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.81Å; I10-I13 PolarHBondContact O-N 3.46Å; I10-Q14 WeakPolarHBondContact O-CB 3.42Å; I10-Q14 PolarHBondContact O-N 3.01Å
11L94.1Very high92.3Very high112 Ų112116.8 Ų116.859%0.58656%0.563SS**Hα-helixtrans-62.6-37.6176.4-71.7172.6000112.3Y7 F8 Q14 S15Y7-L11 WeakPolarHBondContact O-CG 3.28Å; Y7-L11 PolarHBondContact O-N 3.26Å; F8-L11 PolarHBondContact O-N 2.91Å; L11-Q14 PolarHBondContact O-N 3.26Å; L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 3Å; L11-S15 PolarHBondContact O-OG 3.07Å
12L94.6Very high93.3Very high106 Ų106113.7 Ų113.756%0.55555%0.548SS*.Hα-helixtrans-66.8-41.7176.7-141.4161.2000110.9F8 L9 I10 S15 T16F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.04Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.81Å; L12-S15 PolarHBondContact O-OG 3.41Å; L12-T16 HydrophobicContact CD2-CG2 4.06Å; L12-T16 WeakPolarHBondContact O-CB 3.44Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.4Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 VanDerWaalsContact O-N 3.07Å; L12-T16 PolarHBondContact O-OG1 2.98Å
13I94.5Very high93.7Very high98 Ų98110.7 Ų110.750%0.50354%0.537SS..Hα-helixtrans-65-45.4174.9-68.2165.6000110.7L9 I10 S15 T16 A17L9-I13 HydrophobicContact CD2-CD1 4.25Å; L9-I13 HydrophobicContact CG-CD1 4.08Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.31Å; I10-I13 PolarHBondContact O-N 3.46Å; I13-S15 PolarHBondContact O-N 2.84Å; I13-T16 WeakPolarHBondContact CA-OG1 3.16Å; I13-T16 PolarHBondContact O-N 2.85Å; I13-T16 PolarHBondContact O-OG1 3.4Å; I13-A17 WeakPolarHBondContact O-CB 3.15Å; I13-A17 PolarHBondContact O-N 3.07Å
14Q93.3Very high93.8Very high140 Ų140105.3 Ų105.365%0.65452%0.523SS*.Hα-helixtrans-66.5-39.9-177.5-172.9158.1-16.900112.5I10 L11 G18I10-Q14 WeakPolarHBondContact O-CB 3.42Å; I10-Q14 PolarHBondContact O-N 3.01Å; L11-Q14 PolarHBondContact O-N 3.26Å; Q14-G18 PolarHBondContact O-N 3.34Å; Q14-G18 VanDerWaalsContact O-N 3.07Å
15S92.4Very high93.8Very high68 Ų68110.3 Ų110.348%0.47654%0.536SS..Hα-helixtrans-67.4-43176.253.90000112.4L11 L12 I13 I19L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 3Å; L11-S15 PolarHBondContact O-OG 3.07Å; L12-S15 PolarHBondContact O-OG 3.41Å; I13-S15 PolarHBondContact O-N 2.84Å; S15-I19 WeakPolarHBondContact O-CD1 3.46Å; S15-I19 WeakPolarHBondContact O-CG1 3.49Å; S15-I19 PolarHBondContact O-N 3.41Å
16T93.9Very high93.6Very high56 Ų56105 Ų10534%0.34453%0.525SS..Hα-helixtrans-67.6-47177.353.10000111.5L12 I13 G18 I19 Y20L12-T16 HydrophobicContact CD2-CG2 4.06Å; L12-T16 WeakPolarHBondContact O-CB 3.44Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.4Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 VanDerWaalsContact O-N 3.07Å; L12-T16 PolarHBondContact O-OG1 2.98Å; I13-T16 WeakPolarHBondContact CA-OG1 3.16Å; I13-T16 PolarHBondContact O-N 2.85Å; I13-T16 PolarHBondContact O-OG1 3.4Å; T16-G18 VanDerWaalsContact C-N 3.31Å; T16-G18 PolarHBondContact O-N 3.11Å; T16-I19 PolarHBondContact O-N 3.48Å; T16-I19 VanDerWaalsContact O-N 3.16Å; T16-Y20 WeakPolarHBondContact O-CD2 3.34Å; T16-Y20 PolarHBondContact O-N 3.37Å; T16-Y20 VanDerWaalsContact O-N 3.11Å
17A93.4Very high93.4Very high42 Ų42107.3 Ų107.335%0.34753%0.531SS..Hα-helixtrans-57.5-41.9177.900000112.2I13 I19 Y20 L21I13-A17 WeakPolarHBondContact O-CB 3.15Å; I13-A17 PolarHBondContact O-N 3.07Å; A17-I19 PolarHBondContact O-N 3.21Å; A17-Y20 PolarHBondContact O-N 2.87Å; A17-L21 WeakPolarHBondContact O-CG 3.32Å; A17-L21 PolarHBondContact O-N 2.79Å
18G92.5Very high93.2Very high30 Ų30104 Ų10431%0.30952%0.523SS..Hα-helixtrans-57.8-44.7176.100000113.1Q14 T16 Y20 L21 I22Q14-G18 PolarHBondContact O-N 3.34Å; Q14-G18 VanDerWaalsContact O-N 3.07Å; T16-G18 VanDerWaalsContact C-N 3.31Å; T16-G18 PolarHBondContact O-N 3.11Å; G18-Y20 VanDerWaalsContact C-N 3.34Å; G18-Y20 PolarHBondContact O-N 3.41Å; G18-L21 PolarHBondContact O-N 3.39Å; G18-I22 WeakPolarHBondContact O-CD1 3.37Å; G18-I22 WeakPolarHBondContact O-CG1 3.35Å; G18-I22 PolarHBondContact O-N 3.45Å; G18-I22 VanDerWaalsContact O-N 3.12Å
19I93.7Very high92.9Very high90 Ų9099.8 Ų99.846%0.46251%0.513SS..Hα-helixtrans-63.3-41.8178-62.4157.7000110.8S15 T16 A17 R23S15-I19 WeakPolarHBondContact O-CD1 3.46Å; S15-I19 WeakPolarHBondContact O-CG1 3.49Å; S15-I19 PolarHBondContact O-N 3.41Å; T16-I19 PolarHBondContact O-N 3.48Å; T16-I19 VanDerWaalsContact O-N 3.16Å; A17-I19 PolarHBondContact O-N 3.21Å; I19-R23 WeakPolarHBondContact O-CG 3.35Å; I19-R23 PolarHBondContact O-N 3.16Å; I19-R23 VanDerWaalsContact O-N 3.08Å
20Y94.3Very high92.5Very high153 Ų15396.5 Ų96.560%0.650%0.499SS*.Hα-helixtrans-69-38.7178.2-77.6-73.6000112.8T16 A17 G18 I22 R23 L24T16-Y20 WeakPolarHBondContact O-CD2 3.34Å; T16-Y20 PolarHBondContact O-N 3.37Å; T16-Y20 VanDerWaalsContact O-N 3.11Å; A17-Y20 PolarHBondContact O-N 2.87Å; G18-Y20 VanDerWaalsContact C-N 3.34Å; G18-Y20 PolarHBondContact O-N 3.41Å; Y20-I22 VanDerWaalsContact C-N 3.33Å; Y20-I22 PolarHBondContact O-N 3.39Å; Y20-R23 PolarHBondContact O-N 3.12Å; Y20-L24 VanDerWaalsContact O-CB 3.29Å; Y20-L24 WeakPolarHBondContact O-CB 3.37Å; Y20-L24 PolarHBondContact O-N 3.08Å
21L92.6Very high92.2Very high107 Ų10797.8 Ų97.856%0.5651%0.506SS*.Hα-helixtrans-63.3-39.1176.3-72.7175.4000111.9A17 G18 L24 R25A17-L21 WeakPolarHBondContact O-CG 3.32Å; A17-L21 PolarHBondContact O-N 2.79Å; G18-L21 PolarHBondContact O-N 3.39Å; L21-L24 PolarHBondContact O-N 3.46Å; L21-R25 WeakPolarHBondContact O-CG 3.29Å; L21-R25 PolarHBondContact O-N 3.04Å
22I92.3Very high92.1Very high114 Ų11496.6 Ų96.659%0.58550%0.503SS*.Hα-helixtrans-64.4-47.5174.5-65.2160.3000110.3G18 Y20 L24 R25 V26G18-I22 WeakPolarHBondContact O-CD1 3.37Å; G18-I22 WeakPolarHBondContact O-CG1 3.35Å; G18-I22 PolarHBondContact O-N 3.45Å; G18-I22 VanDerWaalsContact O-N 3.12Å; Y20-I22 VanDerWaalsContact C-N 3.33Å; Y20-I22 PolarHBondContact O-N 3.39Å; I22-L24 VanDerWaalsContact C-N 3.29Å; I22-L24 PolarHBondContact O-N 3.38Å; I22-R25 PolarHBondContact O-N 3.42Å; I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 3.29Å
23R94.2Very high91.8Very high164 Ų16497 Ų9762%0.61950%0.501SS*.Hα-helixtrans-59.9-40.2176.1-73.4-179.7179.1-1731.1111.9I19 Y20 V26 L27I19-R23 WeakPolarHBondContact O-CG 3.35Å; I19-R23 PolarHBondContact O-N 3.16Å; I19-R23 VanDerWaalsContact O-N 3.08Å; Y20-R23 PolarHBondContact O-N 3.12Å; R23-V26 PolarHBondContact O-N 2.92Å; R23-L27 WeakPolarHBondContact O-CB 3.38Å; R23-L27 PolarHBondContact O-N 3.28Å
24L92.8Very high91.5Very high93 Ų9396.3 Ų96.349%0.48750%0.502SS..Hα-helixtrans-65-44.7177.8-174.968.6000111.3Y20 L21 I22 V26 L27 I28Y20-L24 VanDerWaalsContact O-CB 3.29Å; Y20-L24 WeakPolarHBondContact O-CB 3.37Å; Y20-L24 PolarHBondContact O-N 3.08Å; L21-L24 PolarHBondContact O-N 3.46Å; I22-L24 VanDerWaalsContact C-N 3.29Å; I22-L24 PolarHBondContact O-N 3.38Å; L24-V26 VanDerWaalsContact C-N 3.32Å; L24-V26 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 2.92Å; L24-L27 VanDerWaalsContact O-N 3.14Å; L24-I28 HydrophobicContact CD1-CD1 4.4Å; L24-I28 HydrophobicContact CD2-CD1 4.46Å; L24-I28 HydrophobicContact CG-CD1 3.92Å; L24-I28 HydrophobicContact CG-CG1 4.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 2.85Å
25R92.9Very high91.3Very high198 Ų19895.9 Ų95.975%0.74750%0.5SS*.Hα-helixtrans-58.7-44174.8-78.9-175.5178.6179.4-0.1111.9L21 I22 L27 I28 A29L21-R25 WeakPolarHBondContact O-CG 3.29Å; L21-R25 PolarHBondContact O-N 3.04Å; I22-R25 PolarHBondContact O-N 3.42Å; R25-L27 VanDerWaalsContact C-N 3.31Å; R25-L27 PolarHBondContact O-N 3.48Å; R25-I28 PolarHBondContact O-N 3.47Å; R25-A29 VanDerWaalsContact O-CB 3.32Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.91Å
26V88.7Confident91.1Very high86 Ų86101.8 Ų101.852%0.52151%0.512SS..Hα-helixtrans-63.2-39.8176.3174.70000111I22 R23 L24 A29 S30I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 3.29Å; R23-V26 PolarHBondContact O-N 2.92Å; L24-V26 VanDerWaalsContact C-N 3.32Å; L24-V26 PolarHBondContact O-N 2.92Å; V26-A29 PolarHBondContact O-N 3.13Å; V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.46Å
27L89.6Confident90.7Very high97 Ų97102.2 Ų102.251%0.50851%0.51SS..Hα-helixtrans-67-45.9178.7-166.1145.9000111.6R23 L24 R25 A29 S30 I31R23-L27 WeakPolarHBondContact O-CB 3.38Å; R23-L27 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 2.92Å; L24-L27 VanDerWaalsContact O-N 3.14Å; R25-L27 VanDerWaalsContact C-N 3.31Å; R25-L27 PolarHBondContact O-N 3.48Å; L27-A29 PolarHBondContact O-N 3.47Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-S30 PolarHBondContact O-OG 2.65Å; L27-I31 HydrophobicContact CD2-CD1 3.67Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.18Å; L27-I31 VanDerWaalsContact O-N 3.13Å
28I91.4Very high90.4Very high90 Ų90109 Ų10946%0.46253%0.527SS..Hα-helixtrans-59.9-47.6174.7-65.2165.2000109.9L24 R25 S30 I31 V32L24-I28 HydrophobicContact CD1-CD1 4.4Å; L24-I28 HydrophobicContact CD2-CD1 4.46Å; L24-I28 HydrophobicContact CG-CD1 3.92Å; L24-I28 HydrophobicContact CG-CG1 4.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 2.85Å; R25-I28 PolarHBondContact O-N 3.47Å; I28-S30 VanDerWaalsContact C-N 3.25Å; I28-S30 PolarHBondContact O-N 3.14Å; I28-I31 PolarHBondContact O-N 2.95Å; I28-I31 VanDerWaalsContact O-N 3.11Å; I28-V32 HydrophobicContact CG2-CG2 4.1Å; I28-V32 VanDerWaalsContact O-CG2 3.28Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.29Å
29A88.4Confident90.5Very high49 Ų49112.1 Ų112.141%0.40554%0.54SS..Hα-helixtrans-59.6-36.4177.300000112.5R25 V26 L27 I31 V32 F33R25-A29 VanDerWaalsContact O-CB 3.32Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.91Å; V26-A29 PolarHBondContact O-N 3.13Å; L27-A29 PolarHBondContact O-N 3.47Å; A29-I31 VanDerWaalsContact C-N 3.32Å; A29-I31 PolarHBondContact O-N 3.48Å; A29-V32 PolarHBondContact O-N 3.37Å; A29-F33 PolarHBondContact O-N 3.11Å
30S87.3Confident90.3Very high38 Ų38115.4 Ų115.427%0.26655%0.546SS..Hα-helixtrans-68.2-29.9177.776.40000113.5V26 L27 I28V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.46Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-S30 PolarHBondContact O-OG 2.65Å; I28-S30 VanDerWaalsContact C-N 3.25Å; I28-S30 PolarHBondContact O-N 3.14Å
31I89.2Confident90.1Very high123 Ų123112.2 Ų112.263%0.63154%0.539SS*.Hα-helixtrans-80.2-40.6176.7-65.6171.5000110.4L27 I28 A29L27-I31 HydrophobicContact CD2-CD1 3.67Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.18Å; L27-I31 VanDerWaalsContact O-N 3.13Å; I28-I31 PolarHBondContact O-N 2.95Å; I28-I31 VanDerWaalsContact O-N 3.11Å; A29-I31 VanDerWaalsContact C-N 3.32Å; A29-I31 PolarHBondContact O-N 3.48Å
32V91.5Very high90.2Very high86 Ų86112.3 Ų112.352%0.52154%0.539SS..Hα-helixtrans-73.6-36.9-176.2177.30000112.1I28 A29 P34I28-V32 HydrophobicContact CG2-CG2 4.1Å; I28-V32 VanDerWaalsContact O-CG2 3.28Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.29Å; A29-V32 PolarHBondContact O-N 3.37Å; V32-P34 WeakPolarHBondContact O-CD 3.5Å
33F89.2Confident90.3Very high116 Ų116114.3 Ų114.351%0.50954%0.539SS..  trans-12469.6-175.8-58.9-72.2000112.5A29 E35 R36 Q37A29-F33 PolarHBondContact O-N 3.11Å; F33-E35 VanDerWaalsContact C-N 3.3Å; F33-E35 PolarHBondContact O-N 3.38Å; F33-R36 HydrophobicContact CB-CB 4.37Å; F33-R36 PolarHBondContact O-N 3.31Å; F33-Q37 PolarHBondContact O-N 3Å
34P88.6Confident90.4Very high82 Ų82110.3 Ų110.353%0.53253%0.529SS..Hα-helixtrans-63.5-34.3-175.225.6-34.5000112.8V32 R36 Q37 R38V32-P34 WeakPolarHBondContact O-CD 3.5Å; P34-R36 PolarHBondContact O-N 3.41Å; P34-Q37 WeakPolarHBondContact O-CB 3.36Å; P34-Q37 PolarHBondContact O-N 3.15Å; P34-R38 PolarHBondContact O-N 3.4Å
35E88.8Confident90.5Very high131 Ų131111.8 Ų111.861%0.61253%0.529SS*.Hα-helixtrans-64.1-43.8-178-156.262.8-151.900111.7F33 Q37 R38 V39F33-E35 VanDerWaalsContact C-N 3.3Å; F33-E35 PolarHBondContact O-N 3.38Å; E35-Q37 VanDerWaalsContact C-N 3.29Å; E35-Q37 PolarHBondContact O-N 3.13Å; E35-R38 PolarHBondContact O-N 3.49Å; E35-V39 PolarHBondContact O-N 2.9Å
36R87.4Confident90.6Very high193 Ų193105.8 Ų105.873%0.72851%0.512SS*.Hα-helixtrans-62.7-37175.6-70.7-172.3-179.6-166.50.6111.5F33 P34 R40F33-R36 HydrophobicContact CB-CB 4.37Å; F33-R36 PolarHBondContact O-N 3.31Å; P34-R36 PolarHBondContact O-N 3.41Å; R36-R40 WeakPolarHBondContact O-CB 3.49Å; R36-R40 PolarHBondContact O-N 2.91Å
37Q85.6Confident91Very high65 Ų65104 Ų10430%0.30450%0.499SS..Hα-helixtrans-68.4-38.5178.8-166.667.11.300112.1F33 P34 E35 R40 N41F33-Q37 PolarHBondContact O-N 3Å; P34-Q37 WeakPolarHBondContact O-CB 3.36Å; P34-Q37 PolarHBondContact O-N 3.15Å; E35-Q37 VanDerWaalsContact C-N 3.29Å; E35-Q37 PolarHBondContact O-N 3.13Å; Q37-R40 PolarHBondContact O-N 3.13Å; Q37-N41 WeakPolarHBondContact O-CB 3.28Å; Q37-N41 PolarHBondContact O-N 2.95Å; Q37-N41 PolarHBondContact O-ND2 3.37Å
38R88.5Confident91.2Very high184 Ų184105 Ų10569%0.69450%0.503SS*.Hα-helixtrans-62.4-46.1176.1-171.7-179.5-178.61781.1111.6P34 E35 N41 M42P34-R38 PolarHBondContact O-N 3.4Å; E35-R38 PolarHBondContact O-N 3.49Å; R38-N41 PolarHBondContact O-N 3.28Å; R38-M42 PolarHBondContact O-N 3.32Å
39V92.8Very high91.3Very high96 Ų96104.4 Ų104.458%0.58250%0.5SS*.Hα-helixtrans-61.2-45.6176.5176.40000110.6E35 N41 M42 W43E35-V39 PolarHBondContact O-N 2.9Å; V39-N41 VanDerWaalsContact C-N 3.35Å; V39-N41 PolarHBondContact O-N 3.01Å; V39-M42 PolarHBondContact O-N 3.38Å; V39-W43 WeakPolarHBondContact O-CB 3.5Å; V39-W43 PolarHBondContact O-N 3.48Å
40R91.3Very high91.4Very high159 Ų159110.6 Ų110.660%0.651%0.513SS*.Hα-helixtrans-60.1-43.1177.1-174.9176.7-179.8156.83.1112.4R36 Q37 W43 L44R36-R40 WeakPolarHBondContact O-CB 3.49Å; R36-R40 PolarHBondContact O-N 2.91Å; Q37-R40 PolarHBondContact O-N 3.13Å; R40-W43 PolarHBondContact O-N 3.43Å; R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CB 3.42Å; R40-L44 WeakPolarHBondContact O-CG 3.44Å; R40-L44 PolarHBondContact O-N 3.11Å
41N89.7Confident91.7Very high85 Ų85114.3 Ų114.346%0.45553%0.526SS..Hα-helixtrans-65.7-42177.8-72.3-13.2000111.8Q37 R38 V39 W43 L44 Y45Q37-N41 WeakPolarHBondContact O-CB 3.28Å; Q37-N41 PolarHBondContact O-N 2.95Å; Q37-N41 PolarHBondContact O-ND2 3.37Å; R38-N41 PolarHBondContact O-N 3.28Å; V39-N41 VanDerWaalsContact C-N 3.35Å; V39-N41 PolarHBondContact O-N 3.01Å; N41-W43 VanDerWaalsContact C-N 3.33Å; N41-L44 PolarHBondContact O-N 3.47Å; N41-Y45 WeakPolarHBondContact O-CB 3.34Å; N41-Y45 PolarHBondContact O-N 3.14Å
42M94.5Very high91.6Very high110 Ų110116.1 Ų116.154%0.54253%0.525SS..Hα-helixtrans-63.9-40.9175.8-169.965.9-176.900111.4R38 V39 Y45 N46R38-M42 PolarHBondContact O-N 3.32Å; V39-M42 PolarHBondContact O-N 3.38Å; M42-Y45 PolarHBondContact O-N 2.9Å; M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 3.18Å; M42-N46 PolarHBondContact O-ND2 3.03Å
43W94.9Very high91.3Very high155 Ų155114.8 Ų114.859%0.58752%0.524SS*.Hα-helixtrans-62.7-48174.8179.888.3000111.6V39 R40 N41 Y45 N46 D47V39-W43 WeakPolarHBondContact O-CB 3.5Å; V39-W43 PolarHBondContact O-N 3.48Å; R40-W43 PolarHBondContact O-N 3.43Å; N41-W43 VanDerWaalsContact C-N 3.33Å; W43-Y45 VanDerWaalsContact C-N 3.29Å; W43-Y45 PolarHBondContact O-N 2.97Å; W43-N46 PolarHBondContact O-N 3.44Å; W43-D47 WeakPolarHBondContact O-CB 3.44Å; W43-D47 PolarHBondContact O-N 3.3Å
44L95.1Very high91.2Very high80 Ų80114.6 Ų114.642%0.41953%0.527SS..Hα-helixtrans-59.4-39.9176.8-79168.7000112.2R40 N41 D47 M48R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CB 3.42Å; R40-L44 WeakPolarHBondContact O-CG 3.44Å; R40-L44 PolarHBondContact O-N 3.11Å; N41-L44 PolarHBondContact O-N 3.47Å; L44-D47 PolarHBondContact O-N 2.68Å; L44-M48 WeakPolarHBondContact O-CB 3.49Å; L44-M48 PolarHBondContact O-N 3.38Å
45Y95.2Very high91Very high125 Ų125116.7 Ų116.749%0.4953%0.525SS..Hα-helixtrans-64.2-47.6175.7177.8-103.4000111.8N41 M42 W43 D47 M48 L49N41-Y45 WeakPolarHBondContact O-CB 3.34Å; N41-Y45 PolarHBondContact O-N 3.14Å; M42-Y45 PolarHBondContact O-N 2.9Å; W43-Y45 VanDerWaalsContact C-N 3.29Å; W43-Y45 PolarHBondContact O-N 2.97Å; Y45-D47 VanDerWaalsContact C-N 3.32Å; Y45-D47 PolarHBondContact O-N 3.16Å; Y45-M48 WeakPolarHBondContact O-CB 3.08Å; Y45-M48 PolarHBondContact O-N 2.83Å; Y45-L49 HydrophobicContact CD1-CD1 3.98Å; Y45-L49 HydrophobicContact CE1-CD1 3.39Å; Y45-L49 HydrophobicContact CE1-CG 4.15Å; Y45-L49 WeakPolarHBondContact O-CG 3.38Å; Y45-L49 PolarHBondContact O-N 3.25Å
46N95.6Very high90.7Very high72 Ų72112.2 Ų112.239%0.38551%0.506SS..Hα-helixtrans-63.1-38.3176.7-81.7-29000112.3M42 W43 L49 R50M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 3.18Å; M42-N46 PolarHBondContact O-ND2 3.03Å; W43-N46 PolarHBondContact O-N 3.44Å; N46-L49 PolarHBondContact O-N 2.94Å; N46-R50 WeakPolarHBondContact O-CG 3.46Å; N46-R50 PolarHBondContact O-N 3.23Å
47D96Very high90.4Very high48 Ų48111.4 Ų111.426%0.25750%0.502SS..Hα-helixtrans-65-43.7175.9-168.555.8000111.1W43 L44 Y45 L49 R50 Q51W43-D47 WeakPolarHBondContact O-CB 3.44Å; W43-D47 PolarHBondContact O-N 3.3Å; L44-D47 PolarHBondContact O-N 2.68Å; Y45-D47 VanDerWaalsContact C-N 3.32Å; Y45-D47 PolarHBondContact O-N 3.16Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 2.92Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 3.48Å; D47-R50 VanDerWaalsContact O-N 3.11Å; D47-Q51 WeakPolarHBondContact O-CG 3.37Å; D47-Q51 PolarHBondContact O-N 2.05Å; D47-Q51 PolarHBondContact OD2-NE2 3.12Å
48M94.9Very high90.1Very high119 Ų119114.3 Ų114.359%0.58652%0.516SS*.Hα-helixtrans-58.5-41.9174.4-166.9-164.3-39.100112.2L44 Y45 Q51 R52L44-M48 WeakPolarHBondContact O-CB 3.49Å; L44-M48 PolarHBondContact O-N 3.38Å; Y45-M48 WeakPolarHBondContact O-CB 3.08Å; Y45-M48 PolarHBondContact O-N 2.83Å; M48-Q51 PolarHBondContact O-N 3.09Å; M48-R52 WeakPolarHBondContact O-CB 3.34Å; M48-R52 PolarHBondContact O-N 3.31Å
49L92Very high89.7Confident76 Ų76107.2 Ų107.240%0.39849%0.489SS..Hα-helixtrans-64.2-42.7174.7-71.7178.7000111.9Y45 N46 D47 R52 A53Y45-L49 HydrophobicContact CD1-CD1 3.98Å; Y45-L49 HydrophobicContact CE1-CD1 3.39Å; Y45-L49 HydrophobicContact CE1-CG 4.15Å; Y45-L49 WeakPolarHBondContact O-CG 3.38Å; Y45-L49 PolarHBondContact O-N 3.25Å; N46-L49 PolarHBondContact O-N 2.94Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact O-N 2.92Å; L49-R52 PolarHBondContact O-N 3.19Å; L49-A53 WeakPolarHBondContact O-CB 3.2Å; L49-A53 PolarHBondContact O-N 2.93Å
50R92.2Very high89.1Confident179 Ų179107.3 Ų107.368%0.67548%0.482SS*.Hα-helixtrans-61.2-47.6175.3-79.4179.3175.6-177.4-0.8111.4N46 D47 R52 A53 L54N46-R50 WeakPolarHBondContact O-CG 3.46Å; N46-R50 PolarHBondContact O-N 3.23Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 3.48Å; D47-R50 VanDerWaalsContact O-N 3.11Å; R50-R52 VanDerWaalsContact C-N 3.32Å; R50-R52 PolarHBondContact O-N 3.36Å; R50-A53 PolarHBondContact O-N 3.47Å; R50-L54 WeakPolarHBondContact O-CG 3.31Å; R50-L54 PolarHBondContact O-N 2.95Å
51Q92.3Very high88.3Confident117 Ų117103.8 Ų103.855%0.54747%0.474SS..Hα-helixtrans-59.8-43.1177.2-70-174.812.400111.4D47 M48 A53 L54 Y55D47-Q51 WeakPolarHBondContact O-CG 3.37Å; D47-Q51 PolarHBondContact O-N 2.05Å; D47-Q51 PolarHBondContact OD2-NE2 3.12Å; M48-Q51 PolarHBondContact O-N 3.09Å; Q51-A53 PolarHBondContact O-N 3.01Å; Q51-L54 PolarHBondContact O-N 3.43Å; Q51-Y55 WeakPolarHBondContact O-CB 3.35Å; Q51-Y55 PolarHBondContact O-N 3.46Å
52R88.1Confident87.7Confident160 Ų160103.3 Ų103.360%0.60447%0.471SS*.Hα-helixtrans-63.7-40.6175.6-167.9173.9-172.8175.1-0.7112.2M48 L49 R50 Y55 N56M48-R52 WeakPolarHBondContact O-CB 3.34Å; M48-R52 PolarHBondContact O-N 3.31Å; L49-R52 PolarHBondContact O-N 3.19Å; R50-R52 VanDerWaalsContact C-N 3.32Å; R50-R52 PolarHBondContact O-N 3.36Å; R52-Y55 PolarHBondContact O-N 2.88Å; R52-N56 WeakPolarHBondContact O-CB 3.45Å; R52-N56 PolarHBondContact O-N 3.2Å
53A85.6Confident86.8Confident59 Ų5998.2 Ų98.249%0.48845%0.447SS..Hα-helixtrans-65.1-43176.300000112L49 R50 Q51 N56 R57L49-A53 WeakPolarHBondContact O-CB 3.2Å; L49-A53 PolarHBondContact O-N 2.93Å; R50-A53 PolarHBondContact O-N 3.47Å; Q51-A53 PolarHBondContact O-N 3.01Å; A53-N56 PolarHBondContact O-N 3.36Å; A53-R57 WeakPolarHBondContact O-CB 3.37Å; A53-R57 PolarHBondContact O-N 2.94Å
54L86.6Confident85.8Confident111 Ų11192 Ų9258%0.58143%0.425SS*.Hα-helixtrans-62.4-44.6175.2-71.4174.2000111.5R50 Q51 N56 R57 Q58R50-L54 WeakPolarHBondContact O-CG 3.31Å; R50-L54 PolarHBondContact O-N 2.95Å; Q51-L54 PolarHBondContact O-N 3.43Å; L54-N56 PolarHBondContact O-N 3.39Å; L54-R57 PolarHBondContact O-N 2.86Å; L54-Q58 WeakPolarHBondContact O-CB 3.46Å; L54-Q58 PolarHBondContact O-N 3.38Å
55Y84.2Confident84.5Confident127 Ų12796.3 Ų96.350%0.49844%0.435SS..Hα-helixtrans-58-48.2175-178.8-97.6000111.8Q51 R52 R57 Q58 R59Q51-Y55 WeakPolarHBondContact O-CB 3.35Å; Q51-Y55 PolarHBondContact O-N 3.46Å; R52-Y55 PolarHBondContact O-N 2.88Å; Y55-R57 VanDerWaalsContact C-N 3.35Å; Y55-R57 PolarHBondContact O-N 3.48Å; Y55-Q58 PolarHBondContact O-N 2.81Å; Y55-R59 VanDerWaalsContact O-CB 3.29Å; Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 3.28Å; Y55-R59 PolarHBondContact OH-NH1 3.35Å
56N82.3Confident83.4Confident37 Ų3792 Ų9220%0.19842%0.42CS..Hα-helixtrans-63.3-40.2177.9-76.6-7.2000111.9R52 A53 L54 R59 K60R52-N56 WeakPolarHBondContact O-CB 3.45Å; R52-N56 PolarHBondContact O-N 3.2Å; A53-N56 PolarHBondContact O-N 3.36Å; L54-N56 PolarHBondContact O-N 3.39Å; N56-R59 PolarHBondContact O-N 3.19Å; N56-K60 WeakPolarHBondContact O-CG 3.4Å; N56-K60 PolarHBondContact O-N 3.42Å
57R80.3Confident82.1Confident175 Ų17590.2 Ų90.266%0.6642%0.416SS*.Hα-helixtrans-63.4-48.9176.1-173.8178.4-177.8-179.10.9111.4A53 L54 Y55 R59 K60 I61A53-R57 WeakPolarHBondContact O-CB 3.37Å; A53-R57 PolarHBondContact O-N 2.94Å; L54-R57 PolarHBondContact O-N 2.86Å; Y55-R57 VanDerWaalsContact C-N 3.35Å; Y55-R57 PolarHBondContact O-N 3.48Å; R57-R59 PolarHBondContact O-N 3.29Å; R57-K60 WeakPolarHBondContact O-CB 3.44Å; R57-K60 PolarHBondContact O-N 2.86Å; R57-I61 HydrophobicContact CG-CD1 4.18Å; R57-I61 WeakPolarHBondContact O-CG1 3.45Å; R57-I61 PolarHBondContact O-N 3.02Å
58Q81Confident80.6Confident126 Ų12690.4 Ų90.459%0.58942%0.415SS*.Hα-helixtrans-59.9-38.7178.2-171.861.814.400111.2L54 Y55 I61 N62L54-Q58 WeakPolarHBondContact O-CB 3.46Å; L54-Q58 PolarHBondContact O-N 3.38Å; Y55-Q58 PolarHBondContact O-N 2.81Å; Q58-I61 PolarHBondContact O-N 2.97Å; Q58-N62 PolarHBondContact O-N 3.03Å
59R79.9Confident78.7Confident35 Ų3587.5 Ų87.513%0.13242%0.416CS..Hα-helixtrans-69.7-41178.6-163.9157.1-169.4160.8-0.3113.1Y55 N56 R57 I61 N62 I63 C88 L89 W90 C91Y55-R59 VanDerWaalsContact O-CB 3.29Å; Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 3.28Å; Y55-R59 PolarHBondContact OH-NH1 3.35Å; N56-R59 PolarHBondContact O-N 3.19Å; R57-R59 PolarHBondContact O-N 3.29Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.4Å; R59-N62 PolarHBondContact O-N 3.24Å; R59-I63 HydrophobicContact CG-CD1 4.18Å; R59-I63 VanDerWaalsContact O-CG1 3.31Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 PolarHBondContact O-N 3.04Å; R59-C88 PolarHBondContact NH2-O 3.14Å; R59-L89 PolarHBondContact NE-O 2.95Å; R59-L89 PolarHBondContact NH2-O 3.19Å; R59-W90 WeakPolarHBondContact CD-O 3.14Å; R59-W90 VanDerWaalsContact NE-C 3.27Å; R59-W90 PolarHBondContact NE-O 3.14Å; R59-W90 PolarHBondContact NH1-O 2.83Å; R59-W90 VanDerWaalsContact NH2-C 3.33Å; R59-C91 PolarHBondContact NH1-O 3.04Å
60K78.8Confident77Confident98 Ų9887.1 Ų87.143%0.42643%0.43SS..Hα-helixtrans-56.9-45.4170.6-77.9-179.3177.1-171.70111.3N56 R57 N62 I63 N64 W90 L129N56-K60 WeakPolarHBondContact O-CG 3.4Å; N56-K60 PolarHBondContact O-N 3.42Å; R57-K60 WeakPolarHBondContact O-CB 3.44Å; R57-K60 PolarHBondContact O-N 2.86Å; K60-N62 PolarHBondContact O-N 2.76Å; K60-I63 PolarHBondContact O-N 2.92Å; K60-N64 VanDerWaalsContact O-CB 3.27Å; K60-N64 WeakPolarHBondContact O-CB 3.47Å; K60-N64 PolarHBondContact O-N 3.37Å; K60-W90 HydrophobicContact CD-CH2 4.19Å; K60-W90 HydrophobicContact CG-CH2 3.52Å; K60-W90 HydrophobicContact CG-CZ2 4.47Å; K60-W90 HydrophobicContact CG-CZ3 4.02Å; K60-L129 HydrophobicContact CB-CD2 3.84Å; K60-L129 HydrophobicContact CD-CD2 4.36Å; K60-L129 HydrophobicContact CG-CD1 4.37Å; K60-L129 HydrophobicContact CG-CD2 4.02Å
61I74.7Confident75.3Confident85 Ų8584 Ų8444%0.43642%0.424SS..Hα-helixtrans-60.8-44.9177.2-66.9165.1000110.7R57 Q58 R59 N64 R65R57-I61 HydrophobicContact CG-CD1 4.18Å; R57-I61 WeakPolarHBondContact O-CG1 3.45Å; R57-I61 PolarHBondContact O-N 3.02Å; Q58-I61 PolarHBondContact O-N 2.97Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.4Å; I61-N64 PolarHBondContact O-N 3.39Å; I61-R65 WeakPolarHBondContact O-CB 3.49Å; I61-R65 PolarHBondContact O-N 3.41Å
62N77.3Confident73.8Confident75 Ų7585.1 Ų85.140%0.40143%0.429SS..Hα-helixtrans-65-45.2179.9-16514.2000112.3Q58 R59 K60 N64 R65 M66Q58-N62 PolarHBondContact O-N 3.03Å; R59-N62 PolarHBondContact O-N 3.24Å; K60-N62 PolarHBondContact O-N 2.76Å; N62-N64 VanDerWaalsContact C-N 3.29Å; N62-N64 PolarHBondContact O-N 3.35Å; N62-R65 PolarHBondContact O-N 2.91Å; N62-M66 WeakPolarHBondContact O-CG 3.4Å; N62-M66 PolarHBondContact O-N 2.74Å; N62-M66 WeakPolarHBondContact OD1-CE 3.36Å
63I77Confident72.8Confident4 Ų478.5 Ų78.52%0.02140%0.404CS..Hα-helixtrans-61.6-40.5175.7-66.5168.9000110.6R59 K60 M66 A67 L89 W90 A126 L129R59-I63 HydrophobicContact CG-CD1 4.18Å; R59-I63 VanDerWaalsContact O-CG1 3.31Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 PolarHBondContact O-N 3.04Å; K60-I63 PolarHBondContact O-N 2.92Å; I63-M66 PolarHBondContact O-N 3.34Å; I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 3.28Å; I63-L89 HydrophobicContact CD1-CD2 4.16Å; I63-L89 HydrophobicContact CD1-CG 3.99Å; I63-L89 HydrophobicContact CG1-CD1 4.39Å; I63-L89 HydrophobicContact CG1-CD2 4.07Å; I63-L89 HydrophobicContact CG1-CG 3.98Å; I63-L89 HydrophobicContact CG2-CD2 4.15Å; I63-W90 HydrophobicContact CD1-CE3 3.66Å; I63-W90 HydrophobicContact CD1-CZ3 3.96Å; I63-A126 HydrophobicContact CG2-CB 4.47Å; I63-L129 HydrophobicContact CB-CD1 4.19Å; I63-L129 HydrophobicContact CG2-CD1 3.85Å
64N73.4Confident71.9Confident25 Ų2579.6 Ų79.613%0.13441%0.407CS..Hα-helixtrans-64.5-44.4176.2-175.413.8000111.6K60 I61 N62 M66 A67 M68 N133K60-N64 VanDerWaalsContact O-CB 3.27Å; K60-N64 WeakPolarHBondContact O-CB 3.47Å; K60-N64 PolarHBondContact O-N 3.37Å; I61-N64 PolarHBondContact O-N 3.39Å; N62-N64 VanDerWaalsContact C-N 3.29Å; N62-N64 PolarHBondContact O-N 3.35Å; N64-M66 VanDerWaalsContact C-N 3.32Å; N64-M66 PolarHBondContact O-N 2.9Å; N64-A67 PolarHBondContact O-N 3.37Å; N64-A67 VanDerWaalsContact O-N 3.09Å; N64-M68 WeakPolarHBondContact O-CB 3.15Å; N64-M68 PolarHBondContact O-N 3.49Å; N64-M68 VanDerWaalsContact OD1-CG 3.22Å; N64-M68 WeakPolarHBondContact OD1-CG 3.39Å; N64-N133 VanDerWaalsContact ND2-CB 3.25Å; N64-N133 WeakPolarHBondContact ND2-CB 3.37Å; N64-N133 PolarHBondContact ND2-ND2 3.18Å
65R68.3Low70.9Confident169 Ų16981.1 Ų81.164%0.63841%0.409SS*.Hα-helixtrans-59.5-41.7175.8-176.3-178.3-91.5-177.3-6.7111.8I61 N62 G69I61-R65 WeakPolarHBondContact O-CB 3.49Å; I61-R65 PolarHBondContact O-N 3.41Å; N62-R65 PolarHBondContact O-N 2.91Å; R65-G69 WeakPolarHBondContact O-CA 3.03Å; R65-G69 PolarHBondContact O-N 2.95Å
66M71.2Confident70Confident35 Ų3577.2 Ų77.217%0.17240%0.395CS..Hα-helixtrans-65.1-39.6173.9-67.4172.5-179.400112N62 I63 N64 F73N62-M66 WeakPolarHBondContact O-CG 3.4Å; N62-M66 PolarHBondContact O-N 2.74Å; N62-M66 WeakPolarHBondContact OD1-CE 3.36Å; I63-M66 PolarHBondContact O-N 3.34Å; N64-M66 VanDerWaalsContact C-N 3.32Å; N64-M66 PolarHBondContact O-N 2.9Å; M66-F73 HydrophobicContact CB-CD1 4.09Å; M66-F73 HydrophobicContact CB-CE1 3.88Å; M66-F73 HydrophobicContact CB-CZ 4.44Å; M66-F73 HydrophobicContact SD-CD1 4.14Å
67A68.5Low69.4Low35 Ų3578 Ų7829%0.28940%0.404SS..Hα-helixtrans-70.2-35.4-179.600000113.5I63 N64 F73I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 3.28Å; N64-A67 PolarHBondContact O-N 3.37Å; N64-A67 VanDerWaalsContact O-N 3.09Å; A67-F73 HydrophobicContact CB-CZ 4.42Å
68M64Low68.9Low51 Ų5178 Ų7825%0.25140%0.403SS..Hα-helixtrans-97.1-38.7-175.7-67.5-69.3-73.600113.6N64 G70 V134 Y145N64-M68 WeakPolarHBondContact O-CB 3.15Å; N64-M68 PolarHBondContact O-N 3.49Å; N64-M68 VanDerWaalsContact OD1-CG 3.22Å; N64-M68 WeakPolarHBondContact OD1-CG 3.39Å; M68-G70 VanDerWaalsContact C-N 3.33Å; M68-G70 PolarHBondContact O-N 2.88Å; M68-V134 HydrophobicContact CE-CG2 3.62Å; M68-V134 HydrophobicContact SD-CG2 3.92Å; M68-Y145 HydrophobicContact CE-CD1 3.36Å; M68-Y145 HydrophobicContact CE-CD2 4.24Å; M68-Y145 HydrophobicContact CE-CE1 3.09Å; M68-Y145 HydrophobicContact CE-CE2 4.04Å; M68-Y145 HydrophobicContact CE-CG 3.97Å
69G55.9Low68.3Low58 Ų5877.2 Ų77.260%0.59840%0.403SS*.SBendtrans-86.87-167.900000115.4R65 Q71R65-G69 WeakPolarHBondContact O-CA 3.03Å; R65-G69 PolarHBondContact O-N 2.95Å; G69-Q71 PolarHBondContact O-N 3.27Å; G69-Q71 VanDerWaalsContact O-N 3.08Å
70G55.5Low67.9Low68 Ų6878 Ų7870%0.70141%0.41SS*.  trans67.44.6-177.600000114.8M68 E72M68-G70 VanDerWaalsContact C-N 3.33Å; M68-G70 PolarHBondContact O-N 2.88Å; G70-E72 PolarHBondContact O-N 3.12Å; G70-E72 VanDerWaalsContact O-N 3.1Å
71Q56.2Low67.5Low115 Ų11578.4 Ų78.454%0.53742%0.415SS..  trans-67.8109.9168.4-75.5-169.1-7.100108.2G69 F73G69-Q71 PolarHBondContact O-N 3.27Å; G69-Q71 VanDerWaalsContact O-N 3.08Å; Q71-F73 PolarHBondContact O-N 2.87Å
72E61.5Low67.2Low139 Ų13980.5 Ų80.565%0.6542%0.423SS*.  trans-54.2133.2178.1-68.7178.2129.600109.8G70 K75G70-E72 PolarHBondContact O-N 3.12Å; G70-E72 VanDerWaalsContact O-N 3.1Å; E72-K75 WeakPolarHBondContact OE1-CE 3.38Å; E72-K75 IonicContact OE1-NZ 3.03Å; E72-K75 PolarHBondContact OE1-NZ 3.48Å; E72-K75 WeakPolarHBondContact OE2-CE 3.49Å; E72-K75 IonicContact OE2-NZ 2.64Å; E72-K75 PolarHBondContact OE2-NZ 3.17Å
73F67.4Low66.9Low21 Ų2181.1 Ų81.19%0.09243%0.425CS..  trans-49.7142.5170.5-69-75.7000109.4M66 A67 Q71 K75 L89 A108 V109 A126M66-F73 HydrophobicContact CB-CD1 4.09Å; M66-F73 HydrophobicContact CB-CE1 3.88Å; M66-F73 HydrophobicContact CB-CZ 4.44Å; M66-F73 HydrophobicContact SD-CD1 4.14Å; A67-F73 HydrophobicContact CB-CZ 4.42Å; Q71-F73 PolarHBondContact O-N 2.87Å; F73-K75 PolarHBondContact O-N 3.17Å; F73-L89 HydrophobicContact CD1-CD1 4.25Å; F73-L89 HydrophobicContact CD1-CD2 4.21Å; F73-L89 HydrophobicContact CE1-CD2 4.02Å; F73-A108 HydrophobicContact CB-CB 3.71Å; F73-A108 HydrophobicContact CD2-CB 4.31Å; F73-A108 HydrophobicContact CG-CB 4.36Å; F73-V109 HydrophobicContact CB-CG2 4.45Å; F73-V109 HydrophobicContact CD1-CG2 3.76Å; F73-V109 HydrophobicContact CD2-CG2 3.78Å; F73-V109 HydrophobicContact CE1-CG2 3.88Å; F73-V109 HydrophobicContact CE2-CG2 3.89Å; F73-V109 HydrophobicContact CG-CG2 3.72Å; F73-V109 HydrophobicContact CZ-CG2 3.95Å; F73-A126 HydrophobicContact CE1-CB 4.34Å; F73-A126 HydrophobicContact CZ-CB 3.75Å
74P66.3Low66.6Low82 Ų8284.1 Ų84.153%0.53245%0.446SS..  trans-52.9111.3-175.320.5-32.2000109.4Q76P74-Q76 PolarHBondContact O-N 3.27Å
75K65.7Low66.3Low144 Ų14487.4 Ų87.463%0.62646%0.457SS*.PPolyproline II helixtrans-61.8132.8177.6-66.5178.7-179.9170.70107E72 F73 S77E72-K75 WeakPolarHBondContact OE1-CE 3.38Å; E72-K75 IonicContact OE1-NZ 3.03Å; E72-K75 PolarHBondContact OE1-NZ 3.48Å; E72-K75 WeakPolarHBondContact OE2-CE 3.49Å; E72-K75 IonicContact OE2-NZ 2.64Å; E72-K75 PolarHBondContact OE2-NZ 3.17Å; F73-K75 PolarHBondContact O-N 3.17Å; K75-S77 PolarHBondContact O-N 2.64Å
76Q65.9Low66.4Low45 Ų4580.2 Ų80.221%0.2143%0.432CS..PPolyproline II helixtrans-58132173.5-79.9-179.6-65.100108.6P74 D80 I81 R85 C86 Y110P74-Q76 PolarHBondContact O-N 3.27Å; Q76-D80 HydrophobicContact CB-CB 4.28Å; Q76-I81 HydrophobicContact CB-CD1 4.31Å; Q76-I81 HydrophobicContact CB-CG1 3.84Å; Q76-R85 PolarHBondContact NE2-O 2.99Å; Q76-C86 PolarHBondContact NE2-SG 2.82Å; Q76-Y110 VanDerWaalsContact CD-CE2 3.41Å; Q76-Y110 HydrophobicContact CG-CD2 4.38Å; Q76-Y110 HydrophobicContact CG-CE2 4.03Å; Q76-Y110 VanDerWaalsContact OE1-CZ 3.29Å; Q76-Y110 PolarHBondContact OE1-OH 3.16Å
77S68.6Low66.7Low54 Ų5485.2 Ų85.238%0.37845%0.453SS..PPolyproline II helixtrans-62.1150.5171.676.30000108.5K75 L79 D80 I81K75-S77 PolarHBondContact O-N 2.64Å; S77-L79 PolarHBondContact O-N 2.88Å; S77-L79 VanDerWaalsContact O-N 3.16Å; S77-D80 WeakPolarHBondContact CB-OD2 3.45Å; S77-D80 PolarHBondContact N-OD2 2.92Å; S77-D80 WeakPolarHBondContact O-CA 3.37Å; S77-D80 WeakPolarHBondContact O-CB 3.39Å; S77-D80 PolarHBondContact O-N 3.47Å; S77-D80 PolarHBondContact OG-N 2.81Å; S77-D80 VanDerWaalsContact OG-N 3.14Å; S77-D80 PolarHBondContact OG-OD2 3.34Å; S77-I81 PolarHBondContact O-N 3.35Å; S77-I81 VanDerWaalsContact O-N 3.11Å
78W70.4Confident67.4Low173 Ų17383.7 Ų83.766%0.65544%0.44SS*.Hα-helixtrans-55.3-35177.1174.178.5000112.1D80 I81 Q82W78-D80 VanDerWaalsContact C-N 3.35Å; W78-D80 PolarHBondContact O-N 3.33Å; W78-I81 PolarHBondContact O-N 2.99Å; W78-Q82 VanDerWaalsContact CH2-OE1 3.3Å; W78-Q82 WeakPolarHBondContact O-CB 3.45Å; W78-Q82 PolarHBondContact O-N 3.28Å
79L68.9Low68.1Low111 Ų11182.3 Ų82.358%0.58143%0.434SS*.Hα-helixtrans-62.5-38.3172.9-73.6165.2000113S77 I81 Q82 M83S77-L79 PolarHBondContact O-N 2.88Å; S77-L79 VanDerWaalsContact O-N 3.16Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-Q82 PolarHBondContact O-N 3.44Å; L79-M83 VanDerWaalsContact O-CB 3.27Å; L79-M83 WeakPolarHBondContact O-CB 3.46Å; L79-M83 VanDerWaalsContact O-CG 3.28Å; L79-M83 WeakPolarHBondContact O-CG 3.15Å; L79-M83 PolarHBondContact O-N 3.35Å
80D70.7Confident69.1Low52 Ų5280.1 Ų80.128%0.27841%0.407SS..Hα-helixtrans-67.3-38.4177.3-70.9-42.4000111.5Q76 S77 W78 S84 R85Q76-D80 HydrophobicContact CB-CB 4.28Å; S77-D80 WeakPolarHBondContact CB-OD2 3.45Å; S77-D80 PolarHBondContact N-OD2 2.92Å; S77-D80 WeakPolarHBondContact O-CA 3.37Å; S77-D80 WeakPolarHBondContact O-CB 3.39Å; S77-D80 PolarHBondContact O-N 3.47Å; S77-D80 PolarHBondContact OG-N 2.81Å; S77-D80 VanDerWaalsContact OG-N 3.14Å; S77-D80 PolarHBondContact OG-OD2 3.34Å; W78-D80 VanDerWaalsContact C-N 3.35Å; W78-D80 PolarHBondContact O-N 3.33Å; D80-S84 PolarHBondContact O-N 2.87Å; D80-S84 VanDerWaalsContact O-N 3.13Å; D80-R85 WeakPolarHBondContact CB-O 3.39Å; D80-R85 PolarHBondContact O-N 3.11Å
81I69.5Low70.2Confident106 Ų10678.4 Ų78.454%0.54438%0.384SS..Hα-helixtrans-64.4-48.8175-59.5168.7000109.6Q76 S77 W78 L79 M83 S84Q76-I81 HydrophobicContact CB-CD1 4.31Å; Q76-I81 HydrophobicContact CB-CG1 3.84Å; S77-I81 PolarHBondContact O-N 3.35Å; S77-I81 VanDerWaalsContact O-N 3.11Å; W78-I81 PolarHBondContact O-N 2.99Å; L79-I81 VanDerWaalsContact C-N 3.35Å; I81-M83 VanDerWaalsContact C-N 3.33Å; I81-M83 PolarHBondContact O-N 3.43Å; I81-S84 PolarHBondContact O-N 3.1Å; I81-S84 VanDerWaalsContact O-N 3.15Å
82Q70.2Confident71.3Confident128 Ų12873.9 Ų73.960%0.59837%0.369SS*.Hα-helixtrans-66.7-33.8-177.8-168.7154.6-44.100112.9W78 L79 S84W78-Q82 VanDerWaalsContact CH2-OE1 3.3Å; W78-Q82 WeakPolarHBondContact O-CB 3.45Å; W78-Q82 PolarHBondContact O-N 3.28Å; L79-Q82 PolarHBondContact O-N 3.44Å; Q82-S84 VanDerWaalsContact C-N 3.3Å
83M70.2Confident72.2Confident89 Ų8974.2 Ų74.244%0.43837%0.368SS..THydrogen-bonded Turntrans-87.64177.1-66.7-65.9-72.100113.3L79 I81 R85L79-M83 VanDerWaalsContact O-CB 3.27Å; L79-M83 WeakPolarHBondContact O-CB 3.46Å; L79-M83 VanDerWaalsContact O-CG 3.28Å; L79-M83 WeakPolarHBondContact O-CG 3.15Å; L79-M83 PolarHBondContact O-N 3.35Å; I81-M83 VanDerWaalsContact C-N 3.33Å; I81-M83 PolarHBondContact O-N 3.43Å; M83-R85 HydrophobicContact CB-CB 4.36Å; M83-R85 HydrophobicContact CB-CG 3.86Å; M83-R85 PolarHBondContact O-N 2.99Å; M83-R85 VanDerWaalsContact O-N 3.13Å
84S69.7Low72.8Confident67 Ų6777.9 Ų77.947%0.46939%0.387SS..THydrogen-bonded Turntrans51.830-173.869.70000113.4D80 I81 Q82 K96D80-S84 PolarHBondContact O-N 2.87Å; D80-S84 VanDerWaalsContact O-N 3.13Å; I81-S84 PolarHBondContact O-N 3.1Å; I81-S84 VanDerWaalsContact O-N 3.15Å; Q82-S84 VanDerWaalsContact C-N 3.3Å; S84-K96 WeakPolarHBondContact O-CA 3.35Å
85R69Low73.2Confident94 Ų9476.7 Ų76.736%0.35538%0.375SS..EExtended strand (participates in β ladder)trans-93.6111.3-177.6-76.7-178.6-170.1-167.91.5108Q76 D80 M83 I94 K96Q76-R85 PolarHBondContact NE2-O 2.99Å; D80-R85 WeakPolarHBondContact CB-O 3.39Å; D80-R85 PolarHBondContact O-N 3.11Å; M83-R85 HydrophobicContact CB-CB 4.36Å; M83-R85 HydrophobicContact CB-CG 3.86Å; M83-R85 PolarHBondContact O-N 2.99Å; M83-R85 VanDerWaalsContact O-N 3.13Å; R85-I94 HydrophobicContact CB-CG2 3.58Å; R85-I94 HydrophobicContact CG-CG2 3.82Å; R85-K96 HydrophobicContact CG-CG 4.13Å
86C70.4Confident73.4Confident17 Ų1776.2 Ų76.212%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-108.3128.7175.3-59.60000109.3Q76 I94 E95 V99 Y110Q76-C86 PolarHBondContact NE2-SG 2.82Å; C86-I94 WeakPolarHBondContact O-CA 3.22Å; C86-E95 PolarHBondContact N-O 3.36Å; C86-E95 PolarHBondContact O-N 2.89Å; C86-V99 HydrophobicContact CB-CB 4.26Å; C86-V99 HydrophobicContact CB-CG1 3.74Å; C86-V99 HydrophobicContact CB-CG2 3.63Å; C86-Y110 HydrophobicContact CB-CD1 4.47Å; C86-Y110 HydrophobicContact CB-CG 4.16Å
87K77.4Confident73.2Confident141 Ų14177.1 Ų77.161%0.61339%0.394SS*.EExtended strand (participates in β ladder)trans-84.2122.2173.7-167.9173.8-176.4174.40108.9L89 G92K87-L89 PolarHBondContact O-N 3.38Å; K87-G92 WeakPolarHBondContact CE-O 3.41Å
88C82.2Confident73.1Confident3 Ų380.1 Ų80.12%0.0240%0.402CS..  trans-67127.2176.6176.10000110.5R59 W90 C91 G92 K93 Y110 C112 C115R59-C88 PolarHBondContact NH2-O 3.14Å; C88-W90 PolarHBondContact O-N 2.82Å; C88-W90 PolarHBondContact SG-N 3.14Å; C88-W90 VanDerWaalsContact SG-N 3.37Å; C88-C91 WeakPolarHBondContact CB-SG 3.29Å; C88-C91 PolarHBondContact SG-N 3.31Å; C88-C91 VanDerWaalsContact SG-N 3.39Å; C88-C91 PolarHBondContact SG-SG 3.46Å; C88-G92 WeakPolarHBondContact O-CA 3.37Å; C88-G92 PolarHBondContact O-N 2.85Å; C88-K93 PolarHBondContact N-O 2.91Å; C88-Y110 CarbonylContact C-O 3.44Å; C88-Y110 WeakPolarHBondContact CA-O 3.42Å; C88-C112 HydrophobicContact CB-CB 3.99Å; C88-C112 PolarHBondContact SG-N 3.04Å; C88-C115 PolarHBondContact SG-SG 3.25Å
89L78.6Confident73.1Confident22 Ų2274 Ų7412%0.11538%0.384CS..THydrogen-bonded Turntrans-62.4-25.7178.9-171.569.4000112R59 I63 F73 K87 V109 Y110 Y111R59-L89 PolarHBondContact NE-O 2.95Å; R59-L89 PolarHBondContact NH2-O 3.19Å; I63-L89 HydrophobicContact CD1-CD2 4.16Å; I63-L89 HydrophobicContact CD1-CG 3.99Å; I63-L89 HydrophobicContact CG1-CD1 4.39Å; I63-L89 HydrophobicContact CG1-CD2 4.07Å; I63-L89 HydrophobicContact CG1-CG 3.98Å; I63-L89 HydrophobicContact CG2-CD2 4.15Å; F73-L89 HydrophobicContact CD1-CD1 4.25Å; F73-L89 HydrophobicContact CD1-CD2 4.21Å; F73-L89 HydrophobicContact CE1-CD2 4.02Å; K87-L89 PolarHBondContact O-N 3.38Å; L89-V109 HydrophobicContact CB-CG1 4.38Å; L89-V109 HydrophobicContact CD2-CB 4.47Å; L89-V109 HydrophobicContact CD2-CG1 3.6Å; L89-V109 HydrophobicContact CD2-CG2 4.17Å; L89-Y110 PolarHBondContact N-O 2.94Å; L89-Y111 HydrophobicContact CB-CD1 4.46Å; L89-Y111 HydrophobicContact CB-CE1 4.02Å; L89-Y111 HydrophobicContact CD2-CE1 4.43Å
90W76.9Confident73.2Confident11 Ų1173.5 Ų73.54%0.04238%0.377CS..THydrogen-bonded Turntrans-98.6-39.9-176.2-165.6-92.5000116.4R59 K60 I63 C88 Y111 C115 E119 M120 A125 L129R59-W90 WeakPolarHBondContact CD-O 3.14Å; R59-W90 VanDerWaalsContact NE-C 3.27Å; R59-W90 PolarHBondContact NE-O 3.14Å; R59-W90 PolarHBondContact NH1-O 2.83Å; R59-W90 VanDerWaalsContact NH2-C 3.33Å; K60-W90 HydrophobicContact CD-CH2 4.19Å; K60-W90 HydrophobicContact CG-CH2 3.52Å; K60-W90 HydrophobicContact CG-CZ2 4.47Å; K60-W90 HydrophobicContact CG-CZ3 4.02Å; I63-W90 HydrophobicContact CD1-CE3 3.66Å; I63-W90 HydrophobicContact CD1-CZ3 3.96Å; C88-W90 PolarHBondContact O-N 2.82Å; C88-W90 PolarHBondContact SG-N 3.14Å; C88-W90 VanDerWaalsContact SG-N 3.37Å; W90-Y111 HydrophobicContact CB-CD1 4.13Å; W90-Y111 HydrophobicContact CB-CE1 4.26Å; W90-C115 HydrophobicContact CB-CB 4.35Å; W90-E119 PolarHBondContact NE1-OE1 3.12Å; W90-E119 PolarHBondContact NE1-OE2 3.25Å; W90-M120 HydrophobicContact CD2-SD 4.27Å; W90-M120 HydrophobicContact CE3-SD 4.01Å; W90-M120 HydrophobicContact CH2-SD 4.44Å; W90-M120 HydrophobicContact CZ3-SD 4.11Å; W90-A125 HydrophobicContact CE3-CB 4.04Å; W90-A125 HydrophobicContact CZ3-CB 4Å; W90-L129 HydrophobicContact CZ3-CD1 4.34Å
91C79.6Confident73.3Confident32 Ų3273.5 Ų73.522%0.21638%0.381CS..THydrogen-bonded Turntrans-103.8-20.5177.568.70000112.6R59 C88 K93 C115R59-C91 PolarHBondContact NH1-O 3.04Å; C88-C91 WeakPolarHBondContact CB-SG 3.29Å; C88-C91 PolarHBondContact SG-N 3.31Å; C88-C91 VanDerWaalsContact SG-N 3.39Å; C88-C91 PolarHBondContact SG-SG 3.46Å; C91-K93 HydrophobicContact CB-CG 4.42Å; C91-K93 PolarHBondContact O-N 3.26Å; C91-C115 PolarHBondContact SG-SG 2.87Å
92G77.6Confident73.5Confident21 Ų2169.5 Ų69.522%0.21636%0.363CS..  trans78.2-2.4176.100000113.1K87 C88K87-G92 WeakPolarHBondContact CE-O 3.41Å; C88-G92 WeakPolarHBondContact O-CA 3.37Å; C88-G92 PolarHBondContact O-N 2.85Å
93K81.2Confident73.6Confident145 Ų14575.2 Ų75.263%0.6338%0.378SS*.  trans-67.6144.5170.3-60.8-176.5179.3-178.90109.4C88 C91C88-K93 PolarHBondContact N-O 2.91Å; C91-K93 HydrophobicContact CB-CG 4.42Å; C91-K93 PolarHBondContact O-N 3.26Å
94I79.5Confident73.5Confident98 Ų9878.6 Ų78.650%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-91.4117.2176-59.2170.1000106.6R85 C86R85-I94 HydrophobicContact CB-CG2 3.58Å; R85-I94 HydrophobicContact CG-CG2 3.82Å; C86-I94 WeakPolarHBondContact O-CA 3.22Å
95E75Confident73.4Confident58 Ų5878.2 Ų78.227%0.27138%0.382SS..EExtended strand (participates in β ladder)trans-111.5145.3175.6-73.9-173.6175.900110.5C86 C112C86-E95 PolarHBondContact N-O 3.36Å; C86-E95 PolarHBondContact O-N 2.89Å; E95-C112 VanDerWaalsContact CD-CB 3.46Å; E95-C112 WeakPolarHBondContact OE1-CB 3.31Å; E95-C112 VanDerWaalsContact OE2-CA 3.31Å; E95-C112 WeakPolarHBondContact OE2-CA 3.34Å; E95-C112 WeakPolarHBondContact OE2-CB 3.5Å
96K69.7Low72.8Confident134 Ų13475.9 Ų75.958%0.58338%0.382SS*.EExtended strand (participates in β ladder)trans-101.8122.1172.3-65.3-178.7-176.6177.10108.6S84 R85 Q98S84-K96 WeakPolarHBondContact O-CA 3.35Å; R85-K96 HydrophobicContact CG-CG 4.13Å; K96-Q98 PolarHBondContact O-N 2.96Å
97G62.8Low72.3Confident64 Ų6486.2 Ų86.266%0.6642%0.419SS*.SBendtrans88.1-12.4158.900000119.2
98Q65.7Low71.7Confident117 Ų11781 Ų8155%0.54740%0.402SS..  trans-131.685.4177.5-64.9-150.825.500112.6K96K96-Q98 PolarHBondContact O-N 2.96Å
99V70.1Confident71.2Confident45 Ų4580.9 Ų80.927%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-130123.8-168.2-154.10000109.4C86 Y110 Y111C86-V99 HydrophobicContact CB-CB 4.26Å; C86-V99 HydrophobicContact CB-CG1 3.74Å; C86-V99 HydrophobicContact CB-CG2 3.63Å; V99-Y110 HydrophobicContact CB-CD1 4.21Å; V99-Y110 VanDerWaalsContact CG1-CB 3.42Å; V99-Y110 HydrophobicContact CG1-CD1 3.52Å; V99-Y110 HydrophobicContact CG1-CG 3.84Å; V99-Y111 WeakPolarHBondContact CA-O 3.35Å; V99-Y111 WeakPolarHBondContact CG1-O 3.4Å
100K71.5Confident71.2Confident99 Ų9982.1 Ų82.143%0.4341%0.405SS..EExtended strand (participates in β ladder)trans-98.2129.5176.8-69.1-167173.1-170.20109.7Y111 W116K100-Y111 PolarHBondContact N-O 3.39Å; K100-Y111 PolarHBondContact O-N 3.18Å; K100-W116 HydrophobicContact CB-CB 4.5Å; K100-W116 HydrophobicContact CB-CD2 4.01Å; K100-W116 HydrophobicContact CB-CE3 4.46Å; K100-W116 HydrophobicContact CB-CG 4.02Å; K100-W116 HydrophobicContact CD-CB 4.42Å; K100-W116 HydrophobicContact CD-CD2 4.33Å; K100-W116 HydrophobicContact CD-CG 3.77Å; K100-W116 HydrophobicContact CG-CG 4.44Å
101S73.5Confident71.4Confident53 Ų5381.7 Ų81.737%0.37140%0.403SS..EExtended strand (participates in β ladder)trans-116.1152174.372.40000110.7V109S101-V109 WeakPolarHBondContact CA-O 3.43Å; S101-V109 WeakPolarHBondContact CB-O 2.96Å
102C73.6Confident71.6Confident22 Ų2280.3 Ų80.315%0.14939%0.394CS..  trans-79.3138.9171.3-175.60000110K104 H105 A106 C124C102-K104 PolarHBondContact O-N 3.47Å; C102-K104 VanDerWaalsContact O-N 3.14Å; C102-H105 CarbonylContact O-C 3.55Å; C102-H105 VanDerWaalsContact O-C 3.28Å; C102-H105 PolarHBondContact O-N 3.38Å; C102-A106 WeakPolarHBondContact O-CA 3.39Å; C102-A106 WeakPolarHBondContact O-CB 3.06Å; C102-A106 PolarHBondContact O-N 2.86Å; C102-C124 HydrophobicContact CB-CB 3.56Å; C102-C124 WeakPolarHBondContact CB-SG 3.32Å; C102-C124 VanDerWaalsContact SG-CB 3.57Å
103R70.7Confident71.8Confident247 Ų24783.9 Ų83.993%0.93241%0.405SS*.G310 helixtrans-54.2-35.1175.9-67.2-174.1-179.5-171.90.3113.2H105R103-H105 VanDerWaalsContact C-N 3.35Å
104K68.1Low71.9Confident161 Ų16180.6 Ų80.670%0.740%0.397SS*.G310 helixtrans-72-25.2177.9-66.7-173.3178.1-177.20113.8C102C102-K104 PolarHBondContact O-N 3.47Å; C102-K104 VanDerWaalsContact O-N 3.14Å
105H67.4Low72Confident59 Ų5976.1 Ų76.127%0.27338%0.375SS..G310 helixtrans-128.731.7-175.4-60.7114.4000111.9C102 R103 R107 A108 V109C102-H105 CarbonylContact O-C 3.55Å; C102-H105 VanDerWaalsContact O-C 3.28Å; C102-H105 PolarHBondContact O-N 3.38Å; R103-H105 VanDerWaalsContact C-N 3.35Å; H105-R107 PolarHBondContact O-N 2.86Å; H105-A108 PolarHBondContact O-N 3.42Å; H105-A108 VanDerWaalsContact O-N 3.1Å; H105-V109 HydrophobicContact CB-CB 3.93Å; H105-V109 HydrophobicContact CB-CG2 3.76Å; H105-V109 PolarHBondContact O-N 3.45Å; H105-V109 VanDerWaalsContact O-N 3.14Å
106A58.2Low72.3Confident45 Ų4575.1 Ų75.137%0.37237%0.368SS..THydrogen-bonded Turntrans-62.2-20.5-161.200000114.8C102C102-A106 WeakPolarHBondContact O-CA 3.39Å; C102-A106 WeakPolarHBondContact O-CB 3.06Å; C102-A106 PolarHBondContact O-N 2.86Å
107R59.5Low73Confident234 Ų23476.6 Ų76.688%0.88338%0.375SS*.THydrogen-bonded Turntrans-98.4-5.8-178.7-78.7-177.9-169.7162.34.2115.5H105H105-R107 PolarHBondContact O-N 2.86Å
108A65Low73.9Confident32 Ų3280.4 Ų80.426%0.26438%0.375SS..THydrogen-bonded Turntrans-135.2-18.8-171.300000114.3F73 H105F73-A108 HydrophobicContact CB-CB 3.71Å; F73-A108 HydrophobicContact CD2-CB 4.31Å; F73-A108 HydrophobicContact CG-CB 4.36Å; H105-A108 PolarHBondContact O-N 3.42Å; H105-A108 VanDerWaalsContact O-N 3.1Å
109V71.9Confident74.3Confident0 Ų078.6 Ų78.60%037%0.367CS..  trans-118.2114.9-175.6179.20000110.7F73 L89 S101 H105 Y111F73-V109 HydrophobicContact CB-CG2 4.45Å; F73-V109 HydrophobicContact CD1-CG2 3.76Å; F73-V109 HydrophobicContact CD2-CG2 3.78Å; F73-V109 HydrophobicContact CE1-CG2 3.88Å; F73-V109 HydrophobicContact CE2-CG2 3.89Å; F73-V109 HydrophobicContact CG-CG2 3.72Å; F73-V109 HydrophobicContact CZ-CG2 3.95Å; L89-V109 HydrophobicContact CB-CG1 4.38Å; L89-V109 HydrophobicContact CD2-CB 4.47Å; L89-V109 HydrophobicContact CD2-CG1 3.6Å; L89-V109 HydrophobicContact CD2-CG2 4.17Å; S101-V109 WeakPolarHBondContact CA-O 3.43Å; S101-V109 WeakPolarHBondContact CB-O 2.96Å; H105-V109 HydrophobicContact CB-CB 3.93Å; H105-V109 HydrophobicContact CB-CG2 3.76Å; H105-V109 PolarHBondContact O-N 3.45Å; H105-V109 VanDerWaalsContact O-N 3.14Å; V109-Y111 HydrophobicContact CG1-CD2 4.12Å; V109-Y111 HydrophobicContact CG1-CE1 4.38Å; V109-Y111 HydrophobicContact CG1-CE2 3.3Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.44Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.41Å
110Y78.3Confident74.5Confident48 Ų4877.1 Ų77.119%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-120.8133.1-176-70.7-66000110.4Q76 C86 C88 L89 V99Q76-Y110 VanDerWaalsContact CD-CE2 3.41Å; Q76-Y110 HydrophobicContact CG-CD2 4.38Å; Q76-Y110 HydrophobicContact CG-CE2 4.03Å; Q76-Y110 VanDerWaalsContact OE1-CZ 3.29Å; Q76-Y110 PolarHBondContact OE1-OH 3.16Å; C86-Y110 HydrophobicContact CB-CD1 4.47Å; C86-Y110 HydrophobicContact CB-CG 4.16Å; C88-Y110 CarbonylContact C-O 3.44Å; C88-Y110 WeakPolarHBondContact CA-O 3.42Å; L89-Y110 PolarHBondContact N-O 2.94Å; V99-Y110 HydrophobicContact CB-CD1 4.21Å; V99-Y110 VanDerWaalsContact CG1-CB 3.42Å; V99-Y110 HydrophobicContact CG1-CD1 3.52Å; V99-Y110 HydrophobicContact CG1-CG 3.84Å
111Y81Confident74.8Confident1 Ų178.7 Ų78.70%0.00437%0.37CS..EExtended strand (participates in β ladder)trans-122.8144.9176.3-61.7-77.9000112L89 W90 V99 K100 V109 W116 A125L89-Y111 HydrophobicContact CB-CD1 4.46Å; L89-Y111 HydrophobicContact CB-CE1 4.02Å; L89-Y111 HydrophobicContact CD2-CE1 4.43Å; W90-Y111 HydrophobicContact CB-CD1 4.13Å; W90-Y111 HydrophobicContact CB-CE1 4.26Å; V99-Y111 WeakPolarHBondContact CA-O 3.35Å; V99-Y111 WeakPolarHBondContact CG1-O 3.4Å; K100-Y111 PolarHBondContact N-O 3.39Å; K100-Y111 PolarHBondContact O-N 3.18Å; V109-Y111 HydrophobicContact CG1-CD2 4.12Å; V109-Y111 HydrophobicContact CG1-CE1 4.38Å; V109-Y111 HydrophobicContact CG1-CE2 3.3Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.44Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.41Å; Y111-W116 AromaticContact CD2-CE3 3.45Å; Y111-W116 HydrophobicContact CD2-CE3 3.45Å; Y111-W116 VanDerWaalsContact CD2-CE3 3.45Å; Y111-W116 AromaticContact CD2-CZ3 3.46Å; Y111-W116 HydrophobicContact CD2-CZ3 3.46Å; Y111-W116 VanDerWaalsContact CD2-CZ3 3.46Å; Y111-W116 HydrophobicContact CE2-CE3 4.11Å; Y111-W116 AromaticContact CE2-CZ3 3.71Å; Y111-W116 HydrophobicContact CE2-CZ3 3.71Å; Y111-W116 AromaticContact CG-CE3 3.83Å; Y111-W116 HydrophobicContact CG-CE3 3.83Å; Y111-W116 HydrophobicContact CG-CZ3 4.28Å; Y111-A125 HydrophobicContact CE1-CB 4.08Å; Y111-A125 WeakPolarHBondContact OH-CB 3.48Å; Y111-A125 PolarHBondContact OH-N 2.91Å
112C83.5Confident74.8Confident3 Ų378 Ų782%0.0237%0.372CS..EExtended strand (participates in β ladder)trans-68149.7169.588.80000110.7C88 E95 T114 C115 W116C88-C112 HydrophobicContact CB-CB 3.99Å; C88-C112 PolarHBondContact SG-N 3.04Å; E95-C112 VanDerWaalsContact CD-CB 3.46Å; E95-C112 WeakPolarHBondContact OE1-CB 3.31Å; E95-C112 VanDerWaalsContact OE2-CA 3.31Å; E95-C112 WeakPolarHBondContact OE2-CA 3.34Å; E95-C112 WeakPolarHBondContact OE2-CB 3.5Å; C112-T114 VanDerWaalsContact C-N 3.3Å; C112-T114 PolarHBondContact O-N 3.41Å; C112-T114 PolarHBondContact SG-OG1 2.64Å; C112-C115 HydrophobicContact CB-CB 4.14Å; C112-C115 WeakPolarHBondContact CB-SG 3.23Å; C112-C115 WeakPolarHBondContact O-CB 3.27Å; C112-C115 PolarHBondContact O-N 2.89Å; C112-C115 WeakPolarHBondContact SG-CB 3.33Å; C112-C115 PolarHBondContact SG-N 3.03Å; C112-C115 CovalentContact SG-SG 2.05Å; C112-C115 PolarHBondContact SG-SG 3.34Å; C112-W116 WeakPolarHBondContact O-CB 3.33Å; C112-W116 PolarHBondContact O-N 3.47Å
113Q81.5Confident74.8Confident97 Ų9783.6 Ų83.645%0.45339%0.394SS..Hα-helixtrans-63.6-37.1-175.1-165.9172.926.900112.5K117Q113-K117 PolarHBondContact O-N 2.92Å
114T83.6Confident75.2Confident76 Ų7672.1 Ų72.147%0.46635%0.351SS..Hα-helixtrans-65-50.6174.449.80000110.7C112 W116 K117 E118C112-T114 VanDerWaalsContact C-N 3.3Å; C112-T114 PolarHBondContact O-N 3.41Å; C112-T114 PolarHBondContact SG-OG1 2.64Å; T114-W116 VanDerWaalsContact C-N 3.29Å; T114-W116 PolarHBondContact O-N 3.25Å; T114-K117 PolarHBondContact O-N 3.41Å; T114-K117 VanDerWaalsContact O-N 3.16Å; T114-E118 WeakPolarHBondContact O-CB 3.45Å; T114-E118 PolarHBondContact O-N 3.31Å
115C81.6Confident75.5Confident4 Ų464.5 Ų64.53%0.02732%0.318CS..Iπ-helixtrans-55.2-44176.5-51.50000112.1C88 W90 C91 C112 K117 E119 M120C88-C115 PolarHBondContact SG-SG 3.25Å; W90-C115 HydrophobicContact CB-CB 4.35Å; C91-C115 PolarHBondContact SG-SG 2.87Å; C112-C115 HydrophobicContact CB-CB 4.14Å; C112-C115 WeakPolarHBondContact CB-SG 3.23Å; C112-C115 WeakPolarHBondContact O-CB 3.27Å; C112-C115 PolarHBondContact O-N 2.89Å; C112-C115 WeakPolarHBondContact SG-CB 3.33Å; C112-C115 PolarHBondContact SG-N 3.03Å; C112-C115 CovalentContact SG-SG 2.05Å; C112-C115 PolarHBondContact SG-SG 3.34Å; C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 2.93Å; C115-E119 PolarHBondContact O-N 3.44Å; C115-E119 VanDerWaalsContact O-N 3.17Å; C115-M120 WeakPolarHBondContact O-CG 3.49Å; C115-M120 PolarHBondContact O-N 2.98Å; C115-M120 VanDerWaalsContact O-N 3.17Å
116W82.1Confident75.7Confident36 Ų3661.7 Ų61.714%0.13631%0.305CS..Iπ-helixtrans-66.2-36.7-177.6-174.7-97.2000112.4K100 Y111 C112 T114 N121 G122 C124K100-W116 HydrophobicContact CB-CB 4.5Å; K100-W116 HydrophobicContact CB-CD2 4.01Å; K100-W116 HydrophobicContact CB-CE3 4.46Å; K100-W116 HydrophobicContact CB-CG 4.02Å; K100-W116 HydrophobicContact CD-CB 4.42Å; K100-W116 HydrophobicContact CD-CD2 4.33Å; K100-W116 HydrophobicContact CD-CG 3.77Å; K100-W116 HydrophobicContact CG-CG 4.44Å; Y111-W116 AromaticContact CD2-CE3 3.45Å; Y111-W116 HydrophobicContact CD2-CE3 3.45Å; Y111-W116 VanDerWaalsContact CD2-CE3 3.45Å; Y111-W116 AromaticContact CD2-CZ3 3.46Å; Y111-W116 HydrophobicContact CD2-CZ3 3.46Å; Y111-W116 VanDerWaalsContact CD2-CZ3 3.46Å; Y111-W116 HydrophobicContact CE2-CE3 4.11Å; Y111-W116 AromaticContact CE2-CZ3 3.71Å; Y111-W116 HydrophobicContact CE2-CZ3 3.71Å; Y111-W116 AromaticContact CG-CE3 3.83Å; Y111-W116 HydrophobicContact CG-CE3 3.83Å; Y111-W116 HydrophobicContact CG-CZ3 4.28Å; C112-W116 WeakPolarHBondContact O-CB 3.33Å; C112-W116 PolarHBondContact O-N 3.47Å; T114-W116 VanDerWaalsContact C-N 3.29Å; T114-W116 PolarHBondContact O-N 3.25Å; W116-N121 PolarHBondContact O-N 2.96Å; W116-G122 VanDerWaalsContact CZ2-C 3.44Å; W116-G122 WeakPolarHBondContact CZ2-O 3.38Å; W116-G122 PolarHBondContact O-N 3.48Å; W116-C124 HydrophobicContact CH2-CB 4.43Å; W116-C124 HydrophobicContact CZ3-CB 4.49Å
117K83.2Confident76.4Confident166 Ų16660.6 Ų60.672%0.72229%0.294SS*.Iπ-helixtrans-86-48.4-177.2-167.1179.8179.7-1740112.1Q113 T114 C115 N121Q113-K117 PolarHBondContact O-N 2.92Å; T114-K117 PolarHBondContact O-N 3.41Å; T114-K117 VanDerWaalsContact O-N 3.16Å; C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 2.93Å; K117-N121 PolarHBondContact O-OD1 3.36Å
118E81.8Confident77.1Confident143 Ų14352.1 Ų52.167%0.66827%0.266SS*.Iπ-helixtrans-83.3-47.3-171.4-65.7174.3-174.700112.7T114T114-E118 WeakPolarHBondContact O-CB 3.45Å; T114-E118 PolarHBondContact O-N 3.31Å
119E74.5Confident77.2Confident79 Ų7951.2 Ų51.237%0.36926%0.257SS..Iπ-helixtrans-92.2-29.1-172.5-60.6-151.4-134.700112.5W90 C115W90-E119 PolarHBondContact NE1-OE1 3.12Å; W90-E119 PolarHBondContact NE1-OE2 3.25Å; C115-E119 PolarHBondContact O-N 3.44Å; C115-E119 VanDerWaalsContact O-N 3.17Å
120M74Confident76.9Confident14 Ų1452.8 Ų52.87%0.06927%0.268CS..SBendtrans-110.2-8.9-169.5-61.2-52.3-48.400114.5W90 C115 G122 K123 A125 I128W90-M120 HydrophobicContact CD2-SD 4.27Å; W90-M120 HydrophobicContact CE3-SD 4.01Å; W90-M120 HydrophobicContact CH2-SD 4.44Å; W90-M120 HydrophobicContact CZ3-SD 4.11Å; C115-M120 WeakPolarHBondContact O-CG 3.49Å; C115-M120 PolarHBondContact O-N 2.98Å; C115-M120 VanDerWaalsContact O-N 3.17Å; M120-G122 PolarHBondContact O-N 3.48Å; M120-K123 WeakPolarHBondContact CB-O 3.46Å; M120-K123 VanDerWaalsContact CE-O 3.32Å; M120-K123 WeakPolarHBondContact CE-O 3.39Å; M120-K123 PolarHBondContact O-N 2.86Å; M120-A125 HydrophobicContact CE-CB 3.24Å; M120-A125 VanDerWaalsContact CE-N 3.31Å; M120-A125 HydrophobicContact SD-CB 3.76Å; M120-I128 HydrophobicContact CE-CD1 3.9Å
121N77.2Confident76Confident133 Ų13356.7 Ų56.771%0.71129%0.286SS*.THydrogen-bonded Turntrans45.737.9-176.9-70.7-14.6000113.6W116 K117 K123W116-N121 PolarHBondContact O-N 2.96Å; K117-N121 PolarHBondContact O-OD1 3.36Å; N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 3.24Å
122G73.8Confident75Confident39 Ų3962.7 Ų62.740%0.40231%0.314SS..THydrogen-bonded Turntrans76.38.7179.700000116.5W116 M120W116-G122 VanDerWaalsContact CZ2-C 3.44Å; W116-G122 WeakPolarHBondContact CZ2-O 3.38Å; W116-G122 PolarHBondContact O-N 3.48Å; M120-G122 PolarHBondContact O-N 3.48Å
123K74.8Confident73.8Confident139 Ų13964.8 Ų64.860%0.60433%0.325SS*.SBendtrans-107.1144.8177.2-66.5176.4-175.1178.90110.7M120 N121 I128M120-K123 WeakPolarHBondContact CB-O 3.46Å; M120-K123 VanDerWaalsContact CE-O 3.32Å; M120-K123 WeakPolarHBondContact CE-O 3.39Å; M120-K123 PolarHBondContact O-N 2.86Å; N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 3.24Å; K123-I128 HydrophobicContact CB-CD1 3.32Å; K123-I128 HydrophobicContact CB-CG1 3.93Å; K123-I128 HydrophobicContact CD-CD1 4.16Å; K123-I128 HydrophobicContact CD-CG1 4.49Å; K123-I128 HydrophobicContact CG-CD1 4.37Å
124C78.1Confident72.8Confident6 Ų661.4 Ų61.44%0.04131%0.311CS..  trans-73132.9-179.4-177.90000111.8C102 W116 A126 C127 I128C102-C124 HydrophobicContact CB-CB 3.56Å; C102-C124 WeakPolarHBondContact CB-SG 3.32Å; C102-C124 VanDerWaalsContact SG-CB 3.57Å; W116-C124 HydrophobicContact CH2-CB 4.43Å; W116-C124 HydrophobicContact CZ3-CB 4.49Å; C124-A126 PolarHBondContact O-N 3.49Å; C124-C127 HydrophobicContact CB-CB 3.93Å; C124-C127 PolarHBondContact O-N 3.19Å; C124-C127 VanDerWaalsContact O-N 3.12Å; C124-I128 WeakPolarHBondContact O-CG1 3.45Å; C124-I128 PolarHBondContact O-N 2.99Å
125A74.8Confident71.5Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-64.7-44.3-17800000111.3W90 Y111 M120 C127 I128 L129W90-A125 HydrophobicContact CE3-CB 4.04Å; W90-A125 HydrophobicContact CZ3-CB 4Å; Y111-A125 HydrophobicContact CE1-CB 4.08Å; Y111-A125 WeakPolarHBondContact OH-CB 3.48Å; Y111-A125 PolarHBondContact OH-N 2.91Å; M120-A125 HydrophobicContact CE-CB 3.24Å; M120-A125 VanDerWaalsContact CE-N 3.31Å; M120-A125 HydrophobicContact SD-CB 3.76Å; A125-C127 PolarHBondContact O-N 3.1Å; A125-I128 PolarHBondContact O-N 3.25Å; A125-L129 HydrophobicContact CB-CD1 4.03Å; A125-L129 VanDerWaalsContact O-CB 3.23Å; A125-L129 WeakPolarHBondContact O-CB 3.49Å; A125-L129 WeakPolarHBondContact O-CD1 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.49Å; A125-L129 PolarHBondContact O-N 2.92Å
126A72.4Confident70.4Confident1 Ų163.8 Ų63.81%0.00832%0.32CS..Hα-helixtrans-57.8-36.9175.900000111.8I63 F73 C124 S130I63-A126 HydrophobicContact CG2-CB 4.47Å; F73-A126 HydrophobicContact CE1-CB 4.34Å; F73-A126 HydrophobicContact CZ-CB 3.75Å; C124-A126 PolarHBondContact O-N 3.49Å; A126-S130 VanDerWaalsContact O-CB 3.31Å; A126-S130 WeakPolarHBondContact O-CB 2.87Å; A126-S130 PolarHBondContact O-N 3.09Å; A126-S130 PolarHBondContact O-OG 2.85Å; A126-S130 VanDerWaalsContact O-OG 3.12Å
127C72.9Confident69.4Low21 Ų2166.6 Ų66.614%0.14236%0.36CS..Hα-helixtrans-73.9-43.2177.7-61.90000112.3C124 A125 S130 F131C124-C127 HydrophobicContact CB-CB 3.93Å; C124-C127 PolarHBondContact O-N 3.19Å; C124-C127 VanDerWaalsContact O-N 3.12Å; A125-C127 PolarHBondContact O-N 3.1Å; C127-S130 PolarHBondContact O-OG 3.12Å; C127-F131 WeakPolarHBondContact O-CD2 3.4Å; C127-F131 WeakPolarHBondContact O-CE2 3.22Å; C127-F131 PolarHBondContact O-N 3.08Å
128I73Confident68.7Low57 Ų5765.7 Ų65.729%0.29236%0.358SS..Hα-helixtrans-66.6-48.8179.4-64.2163.4000110.3M120 K123 C124 A125 S130 F131 E132M120-I128 HydrophobicContact CE-CD1 3.9Å; K123-I128 HydrophobicContact CB-CD1 3.32Å; K123-I128 HydrophobicContact CB-CG1 3.93Å; K123-I128 HydrophobicContact CD-CD1 4.16Å; K123-I128 HydrophobicContact CD-CG1 4.49Å; K123-I128 HydrophobicContact CG-CD1 4.37Å; C124-I128 WeakPolarHBondContact O-CG1 3.45Å; C124-I128 PolarHBondContact O-N 2.99Å; A125-I128 PolarHBondContact O-N 3.25Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 3.38Å; I128-F131 PolarHBondContact O-N 3.38Å; I128-E132 WeakPolarHBondContact O-CB 3.25Å; I128-E132 PolarHBondContact O-N 2.86Å
129L67.6Low67.9Low12 Ų1261.3 Ų61.36%0.06335%0.352CS..Hα-helixtrans-65-31.1-176.5-76.7149.8000112.4K60 I63 W90 A125 F131 N133K60-L129 HydrophobicContact CB-CD2 3.84Å; K60-L129 HydrophobicContact CD-CD2 4.36Å; K60-L129 HydrophobicContact CG-CD1 4.37Å; K60-L129 HydrophobicContact CG-CD2 4.02Å; I63-L129 HydrophobicContact CB-CD1 4.19Å; I63-L129 HydrophobicContact CG2-CD1 3.85Å; W90-L129 HydrophobicContact CZ3-CD1 4.34Å; A125-L129 HydrophobicContact CB-CD1 4.03Å; A125-L129 VanDerWaalsContact O-CB 3.23Å; A125-L129 WeakPolarHBondContact O-CB 3.49Å; A125-L129 WeakPolarHBondContact O-CD1 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.49Å; A125-L129 PolarHBondContact O-N 2.92Å; L129-F131 VanDerWaalsContact C-N 3.32Å; L129-N133 PolarHBondContact O-N 2.88Å; L129-N133 PolarHBondContact O-ND2 3.32Å
130S64.9Low67.3Low33 Ų3365.1 Ų65.123%0.23136%0.363CS..Hα-helixtrans-67.1-32.3173.262.90000112.5A126 C127 I128 V134A126-S130 VanDerWaalsContact O-CB 3.31Å; A126-S130 WeakPolarHBondContact O-CB 2.87Å; A126-S130 PolarHBondContact O-N 3.09Å; A126-S130 PolarHBondContact O-OG 2.85Å; A126-S130 VanDerWaalsContact O-OG 3.12Å; C127-S130 PolarHBondContact O-OG 3.12Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 3.38Å; S130-V134 WeakPolarHBondContact O-CB 3.4Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å
131F60Low66.7Low130 Ų13067.5 Ų67.557%0.5738%0.375SS*.Hα-helixtrans-83.3-40.8177.9-68.3-65000112.2C127 I128 L129 L135C127-F131 WeakPolarHBondContact O-CD2 3.4Å; C127-F131 WeakPolarHBondContact O-CE2 3.22Å; C127-F131 PolarHBondContact O-N 3.08Å; I128-F131 PolarHBondContact O-N 3.38Å; L129-F131 VanDerWaalsContact C-N 3.32Å; F131-L135 WeakPolarHBondContact O-CG 3.49Å
132E59.4Low66.3Low128 Ų12863.8 Ų63.860%0.59835%0.353SS*.Hα-helixtrans-74.4-28.4-172.5-162.9167.7-157.500113.4I128I128-E132 WeakPolarHBondContact O-CB 3.25Å; I128-E132 PolarHBondContact O-N 2.86Å
133N59Low66.1Low47 Ų4766.1 Ų66.125%0.25136%0.361SS..THydrogen-bonded Turntrans-90.7-19.5179.4-69.3-71.8000114.2N64 L129 K142N64-N133 VanDerWaalsContact ND2-CB 3.25Å; N64-N133 WeakPolarHBondContact ND2-CB 3.37Å; N64-N133 PolarHBondContact ND2-ND2 3.18Å; L129-N133 PolarHBondContact O-N 2.88Å; L129-N133 PolarHBondContact O-ND2 3.32Å; N133-K142 WeakPolarHBondContact O-CD 3Å; N133-K142 PolarHBondContact O-NZ 2.85Å; N133-K142 VanDerWaalsContact O-NZ 3.17Å
134V60.3Low65.7Low25 Ų2564.5 Ų64.515%0.15236%0.355CS..THydrogen-bonded Turntrans-74-23.2173.6167.10000110.3M68 S130 L141 K142 Y145M68-V134 HydrophobicContact CE-CG2 3.62Å; M68-V134 HydrophobicContact SD-CG2 3.92Å; S130-V134 WeakPolarHBondContact O-CB 3.4Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å; V134-L141 HydrophobicContact CG1-CD1 3.15Å; V134-L141 HydrophobicContact CG1-CG 3.81Å; V134-L141 CarbonylContact O-C 3.28Å; V134-L141 VanDerWaalsContact O-CA 3.27Å; V134-L141 WeakPolarHBondContact O-CA 3.4Å; V134-K142 PolarHBondContact O-N 3.02Å; V134-Y145 HydrophobicContact CG2-CD2 4.28Å
135L56Low65Low71 Ų7166.3 Ų66.337%0.37236%0.362SS..BIsolated β-bridgetrans-103.2133.9178.5-57.6171.5000110.4F131 G139 R140 L141F131-L135 WeakPolarHBondContact O-CG 3.49Å; L135-G139 WeakPolarHBondContact CD2-O 3.39Å; L135-R140 CarbonylContact C-O 3.56Å; L135-R140 VanDerWaalsContact CA-O 3.25Å; L135-R140 WeakPolarHBondContact CA-O 3.43Å; L135-L141 HydrophobicContact CD2-CD1 4.48Å
136D59.1Low64.4Low60 Ų6074.3 Ų74.332%0.32139%0.392SS..  trans-67.7169.2168.3-72.5-43.5000110.4E138 G139 R140 K142D136-E138 PolarHBondContact O-N 2.86Å; D136-G139 PolarHBondContact O-N 3.04Å; D136-R140 PolarHBondContact N-O 3.29Å; D136-K142 WeakPolarHBondContact OD1-CE 2.93Å; D136-K142 WeakPolarHBondContact OD1-CG 3.34Å
137G61.7Low64Low95 Ų9581.2 Ų81.298%0.97942%0.424SS*.THydrogen-bonded Turntrans-56.4-14.5177.900000114.8
138E68.7Low63.1Low146 Ų14684.8 Ų84.868%0.68244%0.44SS*.THydrogen-bonded Turntrans-95.24.3173.6-59.6-179.6-179.200113.9D136 R140D136-E138 PolarHBondContact O-N 2.86Å; E138-R140 IonicContact OE2-CZ 3.76Å; E138-R140 IonicContact OE2-NH1 2.77Å; E138-R140 PolarHBondContact OE2-NH1 2.93Å
139G63.8Low61.9Low51 Ų5184.2 Ų84.253%0.52645%0.448SS..SBendtrans75.419.9-175.800000114.5L135 D136L135-G139 WeakPolarHBondContact CD2-O 3.39Å; D136-G139 PolarHBondContact O-N 3.04Å
140R61.5Low60.8Low160 Ų16091.6 Ų91.660%0.60449%0.487SS*.PPolyproline II helixtrans-100.1143.5-179.8-72.6-179.8162.6143.5-6.1111.8L135 D136 E138 K142L135-R140 CarbonylContact C-O 3.56Å; L135-R140 VanDerWaalsContact CA-O 3.25Å; L135-R140 WeakPolarHBondContact CA-O 3.43Å; D136-R140 PolarHBondContact N-O 3.29Å; E138-R140 IonicContact OE2-CZ 3.76Å; E138-R140 IonicContact OE2-NH1 2.77Å; E138-R140 PolarHBondContact OE2-NH1 2.93Å; R140-K142 PolarHBondContact O-N 3.49Å
141L62.9Low59.8Low63 Ų6395.9 Ų95.933%0.3351%0.512SS..BIsolated β-bridgetrans-62.6123.8177.6-149.995.5000110.8V134 L135 Y145 R146V134-L141 HydrophobicContact CG1-CD1 3.15Å; V134-L141 HydrophobicContact CG1-CG 3.81Å; V134-L141 CarbonylContact O-C 3.28Å; V134-L141 VanDerWaalsContact O-CA 3.27Å; V134-L141 WeakPolarHBondContact O-CA 3.4Å; L135-L141 HydrophobicContact CD2-CD1 4.48Å; L141-Y145 VanDerWaalsContact CD2-O 3.26Å; L141-Y145 WeakPolarHBondContact CD2-O 3.27Å; L141-R146 HydrophobicContact CD2-CG 4.44Å
142K67.6Low58.6Low55 Ų5599 Ų9924%0.23953%0.525CS..PPolyproline II helixtrans-53.1141.6177.7-93.3-178.5-169.3162.20111.3N133 V134 D136 R140 E144 Y145 R146N133-K142 WeakPolarHBondContact O-CD 3Å; N133-K142 PolarHBondContact O-NZ 2.85Å; N133-K142 VanDerWaalsContact O-NZ 3.17Å; V134-K142 PolarHBondContact O-N 3.02Å; D136-K142 WeakPolarHBondContact OD1-CE 2.93Å; D136-K142 WeakPolarHBondContact OD1-CG 3.34Å; R140-K142 PolarHBondContact O-N 3.49Å; K142-E144 HydrophobicContact CB-CG 3.81Å; K142-E144 HydrophobicContact CD-CG 4.34Å; K142-E144 WeakPolarHBondContact CD-OE1 3.47Å; K142-E144 PolarHBondContact O-N 3.29Å; K142-E144 VanDerWaalsContact O-N 3.14Å; K142-Y145 HydrophobicContact CB-CD2 3.8Å; K142-Y145 HydrophobicContact CB-CE2 4.22Å; K142-Y145 HydrophobicContact CD-CE2 4.28Å; K142-Y145 PolarHBondContact O-N 2.97Å; K142-R146 PolarHBondContact O-N 3.17Å
143P70.7Confident57.5Low89 Ų89101.3 Ų101.358%0.57853%0.533SS*.G310 helixtrans-56.1-35.2-176.820.5-30.7000112.4Y145 R146P143-Y145 VanDerWaalsContact C-N 3.26Å; P143-Y145 PolarHBondContact O-N 3.3Å; P143-R146 PolarHBondContact O-N 3.47Å
144E66.4Low56.7Low104 Ų104104.2 Ų104.249%0.48656%0.555SS.*G310 helixtrans-60.3-27.3175.148.8176.3-160.800114K142 H147K142-E144 HydrophobicContact CB-CG 3.81Å; K142-E144 HydrophobicContact CD-CG 4.34Å; K142-E144 WeakPolarHBondContact CD-OE1 3.47Å; K142-E144 PolarHBondContact O-N 3.29Å; K142-E144 VanDerWaalsContact O-N 3.14Å; E144-H147 PolarHBondContact O-CE1 3.28Å; E144-H147 PolarHBondContact O-ND1 3.22Å
145Y61.9Low55.9Low44 Ų44111 Ų11117%0.17358%0.582CS.*G310 helixtrans-104.61.9-179.9-55.2-62.9000114M68 V134 L141 K142 P143 H147 M148M68-Y145 HydrophobicContact CE-CD1 3.36Å; M68-Y145 HydrophobicContact CE-CD2 4.24Å; M68-Y145 HydrophobicContact CE-CE1 3.09Å; M68-Y145 HydrophobicContact CE-CE2 4.04Å; M68-Y145 HydrophobicContact CE-CG 3.97Å; V134-Y145 HydrophobicContact CG2-CD2 4.28Å; L141-Y145 VanDerWaalsContact CD2-O 3.26Å; L141-Y145 WeakPolarHBondContact CD2-O 3.27Å; K142-Y145 HydrophobicContact CB-CD2 3.8Å; K142-Y145 HydrophobicContact CB-CE2 4.22Å; K142-Y145 HydrophobicContact CD-CE2 4.28Å; K142-Y145 PolarHBondContact O-N 2.97Å; P143-Y145 VanDerWaalsContact C-N 3.26Å; P143-Y145 PolarHBondContact O-N 3.3Å; Y145-H147 PolarHBondContact O-N 3.45Å; Y145-H147 VanDerWaalsContact O-N 3.15Å; Y145-M148 HydrophobicContact CD1-CE 4.19Å; Y145-M148 WeakPolarHBondContact O-CB 3.25Å; Y145-M148 PolarHBondContact O-N 2.9Å
146R62.9Low55.2Low168 Ų168115.6 Ų115.663%0.63460%0.602SS**G310 helixtrans-58.6-29.5179.4-74.8-176.5-177.6-175.12.1113.2L141 K142 P143 M148 G149L141-R146 HydrophobicContact CD2-CG 4.44Å; K142-R146 PolarHBondContact O-N 3.17Å; P143-R146 PolarHBondContact O-N 3.47Å; R146-M148 PolarHBondContact O-N 3.25Å; R146-G149 WeakPolarHBondContact O-CA 3.45Å; R146-G149 PolarHBondContact O-N 2.88Å
147H64.7Low54.7Low146 Ų146117.7 Ų117.768%0.67662%0.616SS**G310 helixtrans-67.3-22.6175.569.9-85.7000113.2E144 Y145 G149E144-H147 PolarHBondContact O-CE1 3.28Å; E144-H147 PolarHBondContact O-ND1 3.22Å; Y145-H147 PolarHBondContact O-N 3.45Å; Y145-H147 VanDerWaalsContact O-N 3.15Å; H147-G149 PolarHBondContact O-N 3.41Å
148M54.2Low53.7Low97 Ų97120.8 Ų120.848%0.47861%0.605SS.*G310 helixtrans-83.31.5171.8-57.2-159.9-163.900112.6Y145 R146 N150 V151Y145-M148 HydrophobicContact CD1-CE 4.19Å; Y145-M148 WeakPolarHBondContact O-CB 3.25Å; Y145-M148 PolarHBondContact O-N 2.9Å; R146-M148 PolarHBondContact O-N 3.25Å; M148-N150 PolarHBondContact O-N 2.72Å; M148-V151 PolarHBondContact O-N 2.78Å
149G46.8Very low52.4Low45 Ų45120.4 Ų120.446%0.46461%0.608SS.*THydrogen-bonded Turntrans-63.110.6-171.900000117.5R146 H147 V151R146-G149 WeakPolarHBondContact O-CA 3.45Å; R146-G149 PolarHBondContact O-N 2.88Å; H147-G149 PolarHBondContact O-N 3.41Å; G149-V151 PolarHBondContact O-N 2.77Å
150N43.7Very low51.4Low166 Ų166125.8 Ų125.889%0.88862%0.621SS**THydrogen-bonded Turntrans-83.816.7163.8-76.9-6.5000113M148 K152M148-N150 PolarHBondContact O-N 2.72Å; N150-K152 PolarHBondContact O-N 2.91Å
151V43.9Very low50.3Low123 Ų123124.5 Ų124.575%0.74563%0.625SS**SBendtrans-71111.5164-176.30000107.9M148 G149 K153M148-V151 PolarHBondContact O-N 2.78Å; G149-V151 PolarHBondContact O-N 2.77Å; V151-K153 PolarHBondContact O-N 3.36Å
152K35.6Very low49.1Very low197 Ų197127 Ų12786%0.85765%0.645SS**  trans-39.4129.5-180-70.6177.5177.8179.40111.3N150N150-K152 PolarHBondContact O-N 2.91Å
153K37Very low47.8Very low176 Ų176133.1 Ų133.177%0.76568%0.675SS**  trans-39143.7-177.2-68.2178.7179.1177.80112.9V151 K155V151-K153 PolarHBondContact O-N 3.36Å; K153-K155 PolarHBondContact O-N 2.91Å
154P41.9Very low46Very low108 Ų108133.8 Ų133.870%0.70169%0.688SS**SBendtrans-74.149.9179.634.4-37.7000112.9Q156P154-Q156 VanDerWaalsContact C-N 3.26Å
155K42.4Very low44.5Very low168 Ų168139.5 Ų139.573%0.7371%0.705SS**SBendtrans-831.5169.4-77.7-167.6172.9-170.90113.4K153K153-K155 PolarHBondContact O-N 2.91Å
156Q42.2Very low43.3Very low167 Ų167146.3 Ų146.378%0.7874%0.738SS**SBendtrans-108.1-7.9-179.8-76-175-0.600114.6P154P154-Q156 VanDerWaalsContact C-N 3.26Å
157V47.8Very low41.9Very low104 Ų104143.1 Ų143.163%0.6374%0.742SS**SBendtrans-92-22.8-179.5-175.10000112N159V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.91Å
158E41.2Very low40.3Very low159 Ų159146 Ų14674%0.74375%0.753SS**G310 helixtrans-73.2-21.5176.9-157.5151.5-163.400112.7M160E158-M160 PolarHBondContact O-N 3.48Å
159N42.4Very low39.2Very low138 Ų138146.6 Ų146.674%0.73877%0.766SS**G310 helixtrans-89.38179.7-64.5-6.6000114.3V157V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.91Å
160M41.1Very low38.6Very low164 Ų164149.6 Ų149.681%0.80878%0.78SS**G310 helixtrans-118.74.9-179.1-77.7-170.1156.500114.1E158 P162E158-M160 PolarHBondContact O-N 3.48Å; M160-P162 WeakPolarHBondContact O-CD 3.26Å
161I40.4Very low38.1Very low133 Ų133147.3 Ų147.368%0.68278%0.777SS**SBendtrans-93.9108.7169.3-57.5173.6000106E163I161-E163 PolarHBondContact O-N 3.15Å
162P37.3Very low37.4Very low117 Ų117147 Ų14776%0.7678%0.781SS**  trans-62.7126.7174.725.4-30.1000108.6M160 A164M160-P162 WeakPolarHBondContact O-CD 3.26Å; P162-A164 PolarHBondContact O-N 3.2Å
163E38.9Very low37.2Very low182 Ų182143.2 Ų143.285%0.8578%0.779SS**  trans-47.396.2176.5-135.3168.4146.900111.2I161 R165I161-E163 PolarHBondContact O-N 3.15Å; E163-R165 PolarHBondContact O-N 2.82Å
164A33.6Very low37Very low103 Ų103140 Ų14085%0.85178%0.778SS**  trans-87.672.6158.900000107.6P162P162-A164 PolarHBondContact O-N 3.2Å
165R35.9Very low36.6Very low225 Ų225139.6 Ų139.685%0.84978%0.778SS**  trans-139.478.7169.1-106-174.8168.5-177.2-3.2109.2E163E163-R165 PolarHBondContact O-N 2.82Å
166E36.1Very low36Very low186 Ų186136.7 Ų136.787%0.86978%0.779SS**  trans-101.7131.3151.6-74.2-169.5161.700108.7
167S32.2Very low35.5Very low101 Ų101134 Ų13471%0.70678%0.779SS**SBendtrans64.399.5166.159.40000117.5
168F31.4Very low34.7Very low207 Ų207134 Ų13491%0.90878%0.783SS**  -177.287.3108.5-99.2-75.3000108.3
169S32.2Very low34.2Very low110 Ų110131.8 Ų131.877%0.76979%0.785SS**  trans-77.2122.8161.444.70000109
170S33.4Very low33.7Very low107 Ų107130 Ų13075%0.74878%0.783SS**  148.2138.5124.357.80000113
171S33.6Very low33.2Very low118 Ų118127.1 Ų127.183%0.82578%0.78SS**  trans91.293.6153.2-37.10000117.5
172S28.4Very low32.9Very low118 Ų118125.4 Ų125.483%0.82578%0.779SS**  trans-114108.2158.954.60000109.7
173S31.8Very low32.5Very low116 Ų116129.1 Ų129.181%0.81178%0.784SS**  trans176115.6145.951.90000110.6
174S33.8Very low32.4Very low109 Ų109125.2 Ų125.276%0.76278%0.777SS**  148.5121.412365.50000114.2
175S33.6Very low32.3Very low100 Ų100126.3 Ų126.370%0.69977%0.773SS**  trans62109.4138.356.90000122.3
176S29.4Very low32.4Very low107 Ų107120.8 Ų120.875%0.74877%0.769SS**  37.5119126.958.30000121.1
177S32.3Very low32.1Very low110 Ų110116 Ų11677%0.76976%0.761SS**  163.113710848.50000114.1
178S29.7Very low32.2Very low103 Ų103117 Ų11772%0.7277%0.768SS**  trans57.9131.1145.149.30000124.6
179S31.7Very low32.5Very low113 Ų113113.4 Ų113.479%0.7976%0.763SS**  trans66.1141.1146.947.50000118.3
180S30.6Very low32.7Very low100 Ų100114.2 Ų114.270%0.69977%0.769SS**  cis-176.8156.78.135.60000108.4
181S31.6Very low32.7Very low105 Ų105112.1 Ų112.173%0.73476%0.764SS**  trans59.9126.315761.90000118
182S34.3Very low33Very low96 Ų96112.7 Ų112.767%0.67177%0.765SS**  178.7147.364.5-54.20000110.2
183F29.2Very low33.4Very low195 Ų195115.5 Ų115.586%0.85577%0.77SS**  trans40.6119.6143.4-77.6-95.2000118.9
184S35.1Very low33.5Very low100 Ų100113.2 Ų113.270%0.69976%0.764SS**  -177.5135.876.9-64.70000111.4
185T32.4Very low33.3Very low126 Ų126117.1 Ų117.177%0.77377%0.771SS**  trans31.7126130.91.20000117.6
186S37.2Very low33.4Very low110 Ų110119.7 Ų119.777%0.76978%0.776SS**  -176.315165.4-50.60000111.2
187A30.6Very low33.8Very low84 Ų84119.7 Ų119.769%0.69477%0.766SS**  trans-60.4145.7-178.100000115
188S35.1Very low33.9Very low122 Ų122124.2 Ų124.285%0.85378%0.775SS**  trans-116.482156.4-62.90000107.5S190S188-S190 PolarHBondContact O-N 3.33Å
189T36.7Very low34.2Very low132 Ų132127.2 Ų127.281%0.8178%0.778SS**  trans-84.297.9166.932.40000108.3G191T189-G191 PolarHBondContact O-N 3.41Å
190S35.6Very low34.6Very low127 Ų127130.8 Ų130.889%0.88878%0.782SS**  trans-73.899.8159.550.10000108.4S188S188-S190 PolarHBondContact O-N 3.33Å
191G33.5Very low35.1Very low63 Ų63134.6 Ų134.665%0.64979%0.789SS**  trans-115.2144.3171.200000110.9T189T189-G191 PolarHBondContact O-N 3.41Å
192P40.8Very low35.4Very low130 Ų130138.9 Ų138.984%0.84480%0.797SS**  trans-77.5147.6-166.432-34.2000112.8G194P192-G194 PolarHBondContact O-N 2.82Å
193L37.7Very low35.8Very low178 Ų178142.9 Ų142.993%0.93281%0.805SS**  trans-57.6115.7177.5-152.1107.9000109.8Q195L193-Q195 PolarHBondContact O-N 3Å
194G32.6Very low36Very low67 Ų67137.2 Ų137.269%0.69180%0.802SS**  trans-59.2130.2178.900000112.3P192P192-G194 PolarHBondContact O-N 2.82Å
195Q30Very low36.1Very low191 Ų191141.3 Ų141.389%0.89381%0.812SS**  trans-99.997.3169.1-168.7171.825.800106L193L193-Q195 PolarHBondContact O-N 3Å
196L35Very low36.8Very low155 Ų155142.6 Ų142.681%0.81281%0.813SS**  trans-162.9128.4176.7-82.6-177.9000104
197I38.9Very low37.3Very low107 Ų107142.7 Ų142.755%0.54981%0.811SS.*  cis-162.4127.117-88144.5000104.1E199I197-E199 HydrophobicContact CG2-CB 3.61Å; I197-E199 HydrophobicContact CG2-CG 3.35Å; I197-E199 PolarHBondContact O-N 3.29Å
198E33.7Very low38.1Very low204 Ų204147.7 Ų147.795%0.95382%0.82SS**  trans-81.695.2155.7-79.8176.8145.200105.8
199E35.1Very low38.7Very low166 Ų166151.2 Ų151.278%0.77682%0.82SS**  trans-106.788.6160.4-92.3169.1-172.400105I197I197-E199 HydrophobicContact CG2-CB 3.61Å; I197-E199 HydrophobicContact CG2-CG 3.35Å; I197-E199 PolarHBondContact O-N 3.29Å
200E41.8Very low39.2Very low188 Ų188155.7 Ų155.788%0.87984%0.839SS**  trans-81.9115.8154.6-80-168.4144.600106.9E202E200-E202 PolarHBondContact O-N 3.35Å; E200-E202 VanDerWaalsContact O-N 3.12Å
201E40.3Very low39.4Very low180 Ų180157.2 Ų157.284%0.84184%0.837SS**  trans-58.1105.4167.6-73.2171.2134.100109.3E203E201-E203 VanDerWaalsContact C-N 3.31Å; E201-E203 PolarHBondContact O-N 3.14Å; E201-E203 VanDerWaalsContact O-N 3.12Å
202E37.9Very low39.7Very low195 Ų195162.1 Ų162.191%0.91185%0.846SS**  trans-7091.7152.6-85.4-168.9145.200108E200 G204E200-E202 PolarHBondContact O-N 3.35Å; E200-E202 VanDerWaalsContact O-N 3.12Å; E202-G204 PolarHBondContact O-N 3.35Å
203E42.3Very low39.6Very low180 Ų180163.9 Ų163.984%0.84185%0.847SS**  trans-67.9114.8159.3-83.3-165.9147.800109E201 M205E201-E203 VanDerWaalsContact C-N 3.31Å; E201-E203 PolarHBondContact O-N 3.14Å; E201-E203 VanDerWaalsContact O-N 3.12Å; E203-M205 PolarHBondContact O-N 2.77Å
204G34.3Very low39.8Very low76 Ų76163.1 Ų163.178%0.78484%0.841SS**  trans-62.3129.8175.700000112.8E202E202-G204 PolarHBondContact O-N 3.35Å
205M37.8Very low40.2Very low186 Ų186169.1 Ų169.192%0.91685%0.851SS**  trans-106.5105.2156.2-170.4171-82.400107.9E203E203-M205 PolarHBondContact O-N 2.77Å
206I47Very low40.9Very low154 Ų154167.6 Ų167.679%0.7985%0.848SS**PPolyproline II helixtrans-66.9142.2169.4-65.6169.9000108.1
207P47.4Very low41.3Very low112 Ų112168.5 Ų168.573%0.72785%0.851SS**PPolyproline II helixtrans-74.7148.4-163.328.9-36.7000114.7
208E47.3Very low41.5Very low189 Ų189173.2 Ų173.288%0.88387%0.874SS**PPolyproline II helixtrans-59.9132.5166.9-145.3173.9170.700109.7
209K46.3Very low42.2Very low196 Ų196170.7 Ų170.785%0.85287%0.867SS**  trans-108.8109.1-179.1-170.9-178.4-173.8177.80107
210D48.4Very low42.8Very low226 Ų226171.1 Ų171.1100%1.20988%0.876SS**  trans-129.70156.1-81.8-27.9000108.2

Retrieved 210 of 210 residues in 45.9 ms (Link to these results)

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