A0A3B3UBP5_9TELE Loading...

Thioredoxin-related transmembrane protein 2b

AlphaFold DB , UniProt , Accession A0A3B3UBP5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 302 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
1M51.8Low67.1Low193 Ų193106.7 Ų106.795%0.95159%0.588SS**  0-46.60-65.5-60.3-104.200112.9L3 L4 T5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-T5 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-OG1 2.78Å; M1-T5 VanDerWaalsContact O-OG1 3.05Å
2A56.7Low67.9Low88 Ų88113.4 Ų113.473%0.72760%0.6SS**THydrogen-bonded Turntrans-65.8-21.4-177.400000116.8P6A2-P6 WeakPolarHBondContact O-CD 3.42Å; A2-P6 WeakPolarHBondContact O-CG 3.22Å
3L57.2Low68.2Low152 Ų152112.3 Ų112.380%0.79659%0.589SS**THydrogen-bonded Turntrans-93.1-19.9175-77.7164.6000113.5M1 P6 L7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.49Å; L3-P6 WeakPolarHBondContact O-CG 3.2Å; L3-L7 WeakPolarHBondContact O-CB 3.32Å; L3-L7 PolarHBondContact O-N 2.98Å
4L65.6Low68.2Low85 Ų85109.4 Ų109.445%0.44557%0.574SS.*Hα-helixtrans-80.8-40.8-178-74.3164.3000110.9M1 L7 F8M1-L4 PolarHBondContact O-N 3.33Å; L4-L7 WeakPolarHBondContact O-CB 3.45Å; L4-L7 PolarHBondContact O-N 2.71Å; L4-F8 HydrophobicContact CB-CD2 4.19Å; L4-F8 HydrophobicContact CB-CE2 4.21Å; L4-F8 HydrophobicContact CD2-CE2 4.13Å; L4-F8 WeakPolarHBondContact O-CB 3.3Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.37Å
5T70.3Confident68.1Low98 Ų98107.7 Ų107.760%0.60157%0.572SS**Hα-helixtrans-56.4-48175.516.60000114.2M1 L7 F8 A9M1-T5 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-OG1 2.78Å; M1-T5 VanDerWaalsContact O-OG1 3.05Å; T5-L7 VanDerWaalsContact C-N 3.32Å; T5-L7 PolarHBondContact O-N 3.39Å; T5-F8 PolarHBondContact O-N 3.15Å; T5-A9 VanDerWaalsContact O-CB 3.29Å; T5-A9 WeakPolarHBondContact O-CB 3.28Å; T5-A9 PolarHBondContact O-N 3.03Å
6P68.3Low68Low71 Ų71109.2 Ų109.246%0.46158%0.575SS.*Hα-helixtrans-68-32.1175.424.7-32.7000112.3A2 L3 F10A2-P6 WeakPolarHBondContact O-CD 3.42Å; A2-P6 WeakPolarHBondContact O-CG 3.22Å; L3-P6 WeakPolarHBondContact O-CG 3.2Å; P6-F10 WeakPolarHBondContact O-CB 3.49Å; P6-F10 PolarHBondContact O-N 3.48Å
7L73.9Confident67.8Low99 Ų99105.8 Ų105.852%0.51856%0.559SS.*Hα-helixtrans-68.1-43.9176.5-160.6104.7000111.7L3 L4 T5 F10 L11L3-L7 WeakPolarHBondContact O-CB 3.32Å; L3-L7 PolarHBondContact O-N 2.98Å; L4-L7 WeakPolarHBondContact O-CB 3.45Å; L4-L7 PolarHBondContact O-N 2.71Å; T5-L7 VanDerWaalsContact C-N 3.32Å; T5-L7 PolarHBondContact O-N 3.39Å; L7-F10 PolarHBondContact O-N 2.74Å; L7-L11 HydrophobicContact CD2-CD1 4.21Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.88Å
8F75.8Confident67.6Low131 Ų131107.7 Ų107.758%0.57556%0.559SS**Hα-helixtrans-68.2-39.7175.4-80.5-67.4000112.2L4 T5 F10 L11 Y12L4-F8 HydrophobicContact CB-CD2 4.19Å; L4-F8 HydrophobicContact CB-CE2 4.21Å; L4-F8 HydrophobicContact CD2-CE2 4.13Å; L4-F8 WeakPolarHBondContact O-CB 3.3Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.37Å; T5-F8 PolarHBondContact O-N 3.15Å; F8-F10 VanDerWaalsContact C-N 3.32Å; F8-F10 PolarHBondContact O-N 2.79Å; F8-L11 PolarHBondContact O-N 3.47Å; F8-Y12 VanDerWaalsContact O-CB 3.31Å; F8-Y12 WeakPolarHBondContact O-CB 3.21Å; F8-Y12 PolarHBondContact O-N 2.83Å
9A70.8Confident67.5Low50 Ų50110.3 Ų110.341%0.41357%0.565SS.*Hα-helixtrans-62-41.6172.600000111.4T5 Y12 H13T5-A9 VanDerWaalsContact O-CB 3.29Å; T5-A9 WeakPolarHBondContact O-CB 3.28Å; T5-A9 PolarHBondContact O-N 3.03Å; A9-Y12 PolarHBondContact O-N 3.29Å; A9-H13 PolarHBondContact O-CD2 3Å; A9-H13 VanDerWaalsContact O-CD2 3.25Å; A9-H13 PolarHBondContact O-N 3.1Å
10F72.4Confident67.4Low119 Ų119108.4 Ų108.452%0.52255%0.55SS.*Hα-helixtrans-63.2-45.7174.8179.7-99.9000112.1P6 L7 F8 Y12 H13 L14P6-F10 WeakPolarHBondContact O-CB 3.49Å; P6-F10 PolarHBondContact O-N 3.48Å; L7-F10 PolarHBondContact O-N 2.74Å; F8-F10 VanDerWaalsContact C-N 3.32Å; F8-F10 PolarHBondContact O-N 2.79Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3.39Å; F10-H13 CarbonylContact O-C 3.44Å; F10-H13 PolarHBondContact O-N 3.42Å; F10-L14 HydrophobicContact CD1-CD1 3.94Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CZ-CD1 3.85Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.43Å
11L75.3Confident67.3Low88 Ų88107.4 Ų107.446%0.46155%0.546SS..Hα-helixtrans-64.1-35.7176.8-72.1171.3000112.5L7 F8 L14L7-L11 HydrophobicContact CD2-CD1 4.21Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.88Å; F8-L11 PolarHBondContact O-N 3.47Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.26Å
12Y76.4Confident68.2Low187 Ų187102.3 Ų102.373%0.73352%0.522SS*.Hα-helixtrans-68-40.7176.5-175.2-98.5000112.2F8 A9 F10 L14 P15F8-Y12 VanDerWaalsContact O-CB 3.31Å; F8-Y12 WeakPolarHBondContact O-CB 3.21Å; F8-Y12 PolarHBondContact O-N 2.83Å; A9-Y12 PolarHBondContact O-N 3.29Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3.39Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-P15 VanDerWaalsContact O-CD 3.31Å; Y12-P15 WeakPolarHBondContact O-CD 3.5Å
13H72.6Confident69.4Low99 Ų99103.1 Ų103.146%0.45851%0.509SS..Hα-helixtrans-83.8-7.1176.1-72.8-69000114A9 F10 Q16 V17A9-H13 PolarHBondContact O-CD2 3Å; A9-H13 VanDerWaalsContact O-CD2 3.25Å; A9-H13 PolarHBondContact O-N 3.1Å; F10-H13 CarbonylContact O-C 3.44Å; F10-H13 PolarHBondContact O-N 3.42Å; H13-Q16 WeakPolarHBondContact O-CB 3.31Å; H13-Q16 PolarHBondContact O-N 2.91Å; H13-V17 WeakPolarHBondContact O-CG2 3.45Å; H13-V17 PolarHBondContact O-N 2.83Å
14L68.4Low70.7Confident72 Ų72100.6 Ų100.638%0.37750%0.502SS..Hα-helixtrans-50.4-42.3-179-158.189.9000114.3F10 L11 Y12 Q16 V17 Y18F10-L14 HydrophobicContact CD1-CD1 3.94Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CZ-CD1 3.85Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.43Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.26Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; L14-Q16 PolarHBondContact O-N 3.46Å; L14-V17 PolarHBondContact O-N 3Å; L14-Y18 VanDerWaalsContact O-CB 3.28Å; L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 PolarHBondContact O-N 3.05Å
15P66.4Low71.8Confident83 Ų8398.6 Ų98.654%0.53949%0.489SS..Hα-helixtrans-64.2-31.3179.7-19.932.8000112.8Y12 K19Y12-P15 VanDerWaalsContact O-CD 3.31Å; Y12-P15 WeakPolarHBondContact O-CD 3.5Å; P15-K19 WeakPolarHBondContact O-CG 3.3Å; P15-K19 PolarHBondContact O-N 3.45Å
16Q65.6Low72.6Confident132 Ų13294.9 Ų94.962%0.61746%0.464SS*.Hα-helixtrans-79-39.8178.6-161.8164.7-0.300110.8H13 L14 K19 W20H13-Q16 WeakPolarHBondContact O-CB 3.31Å; H13-Q16 PolarHBondContact O-N 2.91Å; L14-Q16 PolarHBondContact O-N 3.46Å; Q16-K19 PolarHBondContact O-N 3.11Å; Q16-W20 PolarHBondContact O-N 3.22Å
17V65.8Low73.7Confident51 Ų5193.9 Ų93.931%0.30946%0.457SS..Hα-helixtrans-64.6-38.5173.4177.60000111.5H13 L14 W20 L21H13-V17 WeakPolarHBondContact O-CG2 3.45Å; H13-V17 PolarHBondContact O-N 2.83Å; L14-V17 PolarHBondContact O-N 3Å; V17-W20 WeakPolarHBondContact O-CB 3.47Å; V17-W20 PolarHBondContact O-N 2.76Å; V17-W20 VanDerWaalsContact O-N 3.16Å; V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 PolarHBondContact O-N 3.2Å
18Y63.5Low74.5Confident141 Ų14190.7 Ų90.755%0.55345%0.445SS*.Hα-helixtrans-65.8-41.7178.8-175.9-114.1000112.6L14 W20 L21 L22L14-Y18 VanDerWaalsContact O-CB 3.28Å; L14-Y18 WeakPolarHBondContact O-CB 3.49Å; L14-Y18 PolarHBondContact O-N 3.05Å; Y18-W20 PolarHBondContact O-N 3.49Å; Y18-L21 PolarHBondContact O-N 2.66Å; Y18-L22 HydrophobicContact CD1-CD1 3.53Å; Y18-L22 HydrophobicContact CD1-CG 4.26Å; Y18-L22 HydrophobicContact CD2-CD1 4.13Å; Y18-L22 HydrophobicContact CD2-CG 4Å; Y18-L22 HydrophobicContact CE1-CD1 3.05Å; Y18-L22 HydrophobicContact CE1-CG 3.95Å; Y18-L22 HydrophobicContact CE2-CD1 3.71Å; Y18-L22 HydrophobicContact CE2-CD2 3.96Å; Y18-L22 HydrophobicContact CE2-CG 3.63Å; Y18-L22 HydrophobicContact CG-CD1 4.06Å; Y18-L22 HydrophobicContact CG-CG 4.3Å; Y18-L22 VanDerWaalsContact O-CB 3.3Å; Y18-L22 WeakPolarHBondContact O-CB 3.33Å; Y18-L22 WeakPolarHBondContact O-CG 3.44Å; Y18-L22 PolarHBondContact O-N 3Å; Y18-L22 WeakPolarHBondContact OH-CD1 3.09Å
19K65.3Low75.4Confident157 Ų15784.5 Ų84.568%0.68342%0.417SS*.Hα-helixtrans-60.5-28.1173.2-76179.5-179.3179.30112.8P15 Q16P15-K19 WeakPolarHBondContact O-CG 3.3Å; P15-K19 PolarHBondContact O-N 3.45Å; Q16-K19 PolarHBondContact O-N 3.11Å
20W66Low76.4Confident71 Ų7186.6 Ų86.627%0.26942%0.421SS..Hα-helixtrans-81.3-50.4175.4-172.985.5000111.4Q16 V17 Y18 L22 K23 Y26 E87 V90Q16-W20 PolarHBondContact O-N 3.22Å; V17-W20 WeakPolarHBondContact O-CB 3.47Å; V17-W20 PolarHBondContact O-N 2.76Å; V17-W20 VanDerWaalsContact O-N 3.16Å; Y18-W20 PolarHBondContact O-N 3.49Å; W20-L22 PolarHBondContact O-N 3.26Å; W20-K23 WeakPolarHBondContact O-CB 3.31Å; W20-K23 VanDerWaalsContact O-CG 3.22Å; W20-K23 WeakPolarHBondContact O-CG 3.42Å; W20-K23 PolarHBondContact O-N 3.43Å; W20-Y26 HydrophobicContact CD2-CD2 4.35Å; W20-Y26 AromaticContact CD2-CE2 3.8Å; W20-Y26 HydrophobicContact CD2-CE2 3.8Å; W20-Y26 AromaticContact CE2-CE2 3.45Å; W20-Y26 VanDerWaalsContact CE2-CE2 3.45Å; W20-Y26 AromaticContact CE2-CZ 3.56Å; W20-Y26 HydrophobicContact CE3-CD2 4.46Å; W20-Y26 HydrophobicContact CE3-CE2 4.24Å; W20-Y26 HydrophobicContact CG-CE2 4.33Å; W20-Y26 AromaticContact CH2-CE1 3.9Å; W20-Y26 HydrophobicContact CH2-CE1 3.9Å; W20-Y26 HydrophobicContact CH2-CE2 4.11Å; W20-Y26 AromaticContact CH2-CZ 3.68Å; W20-Y26 AromaticContact CZ2-CE1 3.91Å; W20-Y26 HydrophobicContact CZ2-CE1 3.91Å; W20-Y26 AromaticContact CZ2-CE2 3.64Å; W20-Y26 HydrophobicContact CZ2-CE2 3.64Å; W20-Y26 AromaticContact CZ2-CZ 3.23Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.47Å; W20-Y26 HydrophobicContact CZ3-CE2 4.38Å; W20-Y26 AromaticContact NE1-CE2 3.77Å; W20-Y26 WeakPolarHBondContact O-CD2 3.43Å; W20-E87 HydrophobicContact CZ2-CG 3.99Å; W20-V90 HydrophobicContact CH2-CB 4.41Å; W20-V90 HydrophobicContact CH2-CG1 4.34Å; W20-V90 HydrophobicContact CH2-CG2 4.27Å
21L66.3Low77.5Confident88 Ų8887.9 Ų87.946%0.46143%0.427SS..Hα-helixtrans-63.9-33.8-179.4-79.6170.5000114.3V17 Y18 K23 Y26 V27V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 PolarHBondContact O-N 3.2Å; Y18-L21 PolarHBondContact O-N 2.66Å; L21-K23 PolarHBondContact O-N 3.29Å; L21-Y26 WeakPolarHBondContact O-CB 3.35Å; L21-V27 WeakPolarHBondContact O-CG2 3.01Å
22L69.8Low78.4Confident86 Ų8684.2 Ų84.245%0.4541%0.408SS..THydrogen-bonded Turntrans-72.5-3.2179.1-85177.6000114.4Y18 W20Y18-L22 HydrophobicContact CD1-CD1 3.53Å; Y18-L22 HydrophobicContact CD1-CG 4.26Å; Y18-L22 HydrophobicContact CD2-CD1 4.13Å; Y18-L22 HydrophobicContact CD2-CG 4Å; Y18-L22 HydrophobicContact CE1-CD1 3.05Å; Y18-L22 HydrophobicContact CE1-CG 3.95Å; Y18-L22 HydrophobicContact CE2-CD1 3.71Å; Y18-L22 HydrophobicContact CE2-CD2 3.96Å; Y18-L22 HydrophobicContact CE2-CG 3.63Å; Y18-L22 HydrophobicContact CG-CD1 4.06Å; Y18-L22 HydrophobicContact CG-CG 4.3Å; Y18-L22 VanDerWaalsContact O-CB 3.3Å; Y18-L22 WeakPolarHBondContact O-CB 3.33Å; Y18-L22 WeakPolarHBondContact O-CG 3.44Å; Y18-L22 PolarHBondContact O-N 3Å; Y18-L22 WeakPolarHBondContact OH-CD1 3.09Å; W20-L22 PolarHBondContact O-N 3.26Å
23K81.3Confident79.3Confident105 Ų10575.9 Ų75.946%0.45738%0.377SS..SBendtrans-60.4137.9177.9-65.9-69.3-178.3179.90109.1W20 L21 Y25 Y26 V27W20-K23 WeakPolarHBondContact O-CB 3.31Å; W20-K23 VanDerWaalsContact O-CG 3.22Å; W20-K23 WeakPolarHBondContact O-CG 3.42Å; W20-K23 PolarHBondContact O-N 3.43Å; L21-K23 PolarHBondContact O-N 3.29Å; K23-Y25 PolarHBondContact O-N 3.49Å; K23-Y26 HydrophobicContact CB-CD2 3.98Å; K23-Y26 PolarHBondContact O-N 3.11Å; K23-V27 PolarHBondContact O-N 2.94Å; K23-V27 VanDerWaalsContact O-N 3.14Å
24P84.9Confident80.4Confident99 Ų9974 Ų7464%0.64337%0.372SS*.Hα-helixtrans-50.3-37.3-176.4-29.334000113.1A28P24-A28 WeakPolarHBondContact O-CB 3.2Å; P24-A28 PolarHBondContact O-N 2.94Å
25Y88.2Confident81.7Confident44 Ų4471.5 Ų71.517%0.17336%0.362CS..Hα-helixtrans-57.4-48.1176.1175.9-95.4000113.7K23 S29 F123 C127 P129K23-Y25 PolarHBondContact O-N 3.49Å; Y25-S29 WeakPolarHBondContact O-CB 3.4Å; Y25-S29 PolarHBondContact O-N 3.21Å; Y25-S29 PolarHBondContact O-OG 3.22Å; Y25-F123 HydrophobicContact CD2-CE1 4.06Å; Y25-F123 AromaticContact CD2-CZ 3.55Å; Y25-F123 HydrophobicContact CD2-CZ 3.55Å; Y25-F123 AromaticContact CE2-CE1 3.69Å; Y25-F123 HydrophobicContact CE2-CE1 3.69Å; Y25-F123 AromaticContact CE2-CZ 3.65Å; Y25-F123 HydrophobicContact CE2-CZ 3.65Å; Y25-F123 HydrophobicContact CG-CZ 4.35Å; Y25-C127 HydrophobicContact CD2-CB 4.19Å; Y25-C127 WeakPolarHBondContact CD2-O 3.19Å; Y25-P129 HydrophobicContact CE1-CB 4.07Å; Y25-P129 HydrophobicContact CE2-CB 4.13Å
26Y88.4Confident83Confident19 Ų1967.5 Ų67.58%0.07534%0.336CS..Hα-helixtrans-75.7-39.3-176.7-67.2-56.7000111.6W20 L21 K23 S29 L30 V90 F94 P130W20-Y26 HydrophobicContact CD2-CD2 4.35Å; W20-Y26 AromaticContact CD2-CE2 3.8Å; W20-Y26 HydrophobicContact CD2-CE2 3.8Å; W20-Y26 AromaticContact CE2-CE2 3.45Å; W20-Y26 VanDerWaalsContact CE2-CE2 3.45Å; W20-Y26 AromaticContact CE2-CZ 3.56Å; W20-Y26 HydrophobicContact CE3-CD2 4.46Å; W20-Y26 HydrophobicContact CE3-CE2 4.24Å; W20-Y26 HydrophobicContact CG-CE2 4.33Å; W20-Y26 AromaticContact CH2-CE1 3.9Å; W20-Y26 HydrophobicContact CH2-CE1 3.9Å; W20-Y26 HydrophobicContact CH2-CE2 4.11Å; W20-Y26 AromaticContact CH2-CZ 3.68Å; W20-Y26 AromaticContact CZ2-CE1 3.91Å; W20-Y26 HydrophobicContact CZ2-CE1 3.91Å; W20-Y26 AromaticContact CZ2-CE2 3.64Å; W20-Y26 HydrophobicContact CZ2-CE2 3.64Å; W20-Y26 AromaticContact CZ2-CZ 3.23Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.47Å; W20-Y26 HydrophobicContact CZ3-CE2 4.38Å; W20-Y26 AromaticContact NE1-CE2 3.77Å; W20-Y26 WeakPolarHBondContact O-CD2 3.43Å; L21-Y26 WeakPolarHBondContact O-CB 3.35Å; K23-Y26 HydrophobicContact CB-CD2 3.98Å; K23-Y26 PolarHBondContact O-N 3.11Å; Y26-S29 PolarHBondContact O-N 3.41Å; Y26-L30 VanDerWaalsContact O-CB 3.32Å; Y26-L30 WeakPolarHBondContact O-CB 3.37Å; Y26-L30 PolarHBondContact O-N 3.33Å; Y26-V90 HydrophobicContact CD1-CG1 4.36Å; Y26-V90 HydrophobicContact CE1-CG1 4.3Å; Y26-F94 AromaticContact CD1-CE2 3.82Å; Y26-F94 HydrophobicContact CD1-CE2 3.82Å; Y26-P130 HydrophobicContact CD2-CG 4.44Å; Y26-P130 HydrophobicContact CE2-CG 3.52Å
27V90.3Very high84.2Confident50 Ų5064.5 Ų64.530%0.30332%0.324SS..Hα-helixtrans-61.5-52.6175.5177.20000110.6L21 K23 S29 L30 F31L21-V27 WeakPolarHBondContact O-CG2 3.01Å; K23-V27 PolarHBondContact O-N 2.94Å; K23-V27 VanDerWaalsContact O-N 3.14Å; V27-S29 VanDerWaalsContact C-N 3.34Å; V27-S29 PolarHBondContact O-N 3.34Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 3Å; V27-F31 HydrophobicContact CG1-CD2 3.8Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 WeakPolarHBondContact O-CD2 3.49Å; V27-F31 PolarHBondContact O-N 3.08Å
28A91.9Very high85.5Confident33 Ų3364.2 Ų64.227%0.27333%0.327SS..Hα-helixtrans-65.3-36.9178.300000112.3P24 L30 F31 M32 F123P24-A28 WeakPolarHBondContact O-CB 3.2Å; P24-A28 PolarHBondContact O-N 2.94Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 3.29Å; A28-F31 PolarHBondContact O-N 3.16Å; A28-M32 WeakPolarHBondContact O-CB 3.06Å; A28-M32 WeakPolarHBondContact O-CG 3.25Å; A28-M32 PolarHBondContact O-N 2.9Å; A28-F123 HydrophobicContact CB-CD2 4.15Å; A28-F123 HydrophobicContact CB-CE2 3.61Å
29S93.2Very high86.9Confident0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-63.4-38.7173.5-69.80000112.7Y25 Y26 V27 S33 K98 F123Y25-S29 WeakPolarHBondContact O-CB 3.4Å; Y25-S29 PolarHBondContact O-N 3.21Å; Y25-S29 PolarHBondContact O-OG 3.22Å; Y26-S29 PolarHBondContact O-N 3.41Å; V27-S29 VanDerWaalsContact C-N 3.34Å; V27-S29 PolarHBondContact O-N 3.34Å; S29-S33 VanDerWaalsContact O-CB 3.29Å; S29-S33 WeakPolarHBondContact O-CB 3.49Å; S29-S33 PolarHBondContact O-N 3.24Å; S29-S33 PolarHBondContact O-OG 3.06Å; S29-K98 PolarHBondContact OG-NZ 2.82Å; S29-F123 WeakPolarHBondContact OG-CZ 3.48Å
30L93.5Very high88.1Confident95 Ų9551.5 Ų51.550%0.49728%0.276SS..Hα-helixtrans-63.1-51.5175.6178.765.1000110.3Y26 V27 A28 M32 S33 V34 F94Y26-L30 VanDerWaalsContact O-CB 3.32Å; Y26-L30 WeakPolarHBondContact O-CB 3.37Å; Y26-L30 PolarHBondContact O-N 3.33Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 3Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 3.29Å; L30-M32 VanDerWaalsContact C-N 3.33Å; L30-M32 PolarHBondContact O-N 3.03Å; L30-S33 PolarHBondContact O-N 3.08Å; L30-V34 HydrophobicContact CD1-CG1 4.41Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.5Å; L30-F94 HydrophobicContact CB-CE1 4.26Å; L30-F94 HydrophobicContact CB-CZ 4.4Å; L30-F94 HydrophobicContact CD1-CE1 4.29Å
31F94.3Very high89.2Confident145 Ų14553 Ų5364%0.63629%0.285SS*.Hα-helixtrans-55.7-46.8177.4-81.5-65000112.3V27 A28 S33 V34 A35V27-F31 HydrophobicContact CG1-CD2 3.8Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 WeakPolarHBondContact O-CD2 3.49Å; V27-F31 PolarHBondContact O-N 3.08Å; A28-F31 PolarHBondContact O-N 3.16Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.31Å; F31-V34 PolarHBondContact O-N 3.31Å; F31-A35 WeakPolarHBondContact O-CA 3.47Å; F31-A35 WeakPolarHBondContact O-CB 3.31Å; F31-A35 PolarHBondContact O-N 2.59Å
32M94.6Very high90.3Very high12 Ų1251.6 Ų51.66%0.05928%0.28CS..Hα-helixtrans-62.3-38.8175.7-74.6178.955.300112.5A28 L30 V34 A35 K98 N101 Y116 L119 C120 F123A28-M32 WeakPolarHBondContact O-CB 3.06Å; A28-M32 WeakPolarHBondContact O-CG 3.25Å; A28-M32 PolarHBondContact O-N 2.9Å; L30-M32 VanDerWaalsContact C-N 3.33Å; L30-M32 PolarHBondContact O-N 3.03Å; M32-V34 VanDerWaalsContact C-N 3.32Å; M32-V34 PolarHBondContact O-N 3.08Å; M32-A35 VanDerWaalsContact O-CB 3.28Å; M32-A35 WeakPolarHBondContact O-CB 3.43Å; M32-A35 PolarHBondContact O-N 3.12Å; M32-K98 HydrophobicContact CB-CG 4.38Å; M32-K98 HydrophobicContact CE-CD 3.84Å; M32-K98 HydrophobicContact CE-CG 4.06Å; M32-N101 PolarHBondContact O-ND2 3.49Å; M32-Y116 HydrophobicContact CB-CE2 4.46Å; M32-Y116 PolarHBondContact O-OH 2.92Å; M32-L119 HydrophobicContact CG-CD2 4.49Å; M32-C120 HydrophobicContact CE-CB 4.05Å; M32-C120 WeakPolarHBondContact CE-SG 3.37Å; M32-F123 HydrophobicContact CE-CB 4.23Å; M32-F123 HydrophobicContact CE-CG 4.35Å; M32-F123 HydrophobicContact SD-CB 3.72Å; M32-F123 HydrophobicContact SD-CD1 4.15Å; M32-F123 HydrophobicContact SD-CD2 3.77Å; M32-F123 HydrophobicContact SD-CG 3.57Å; M32-F123 VanDerWaalsContact SD-CG 3.57Å
33S95.3Very high91.1Very high11 Ų1152.6 Ų52.68%0.07729%0.292CS..Hα-helixtrans-69.6-29.5-178-59.70000113S29 L30 F31 F94 N101S29-S33 VanDerWaalsContact O-CB 3.29Å; S29-S33 WeakPolarHBondContact O-CB 3.49Å; S29-S33 PolarHBondContact O-N 3.24Å; S29-S33 PolarHBondContact O-OG 3.06Å; L30-S33 PolarHBondContact O-N 3.08Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.31Å; S33-F94 VanDerWaalsContact OG-CD1 3.27Å; S33-F94 WeakPolarHBondContact OG-CD1 3.48Å; S33-N101 VanDerWaalsContact C-ND2 3.26Å; S33-N101 PolarHBondContact O-ND2 3.45Å
34V95.1Very high91.3Very high59 Ų5950 Ų5036%0.35830%0.295SS..Hα-helixtrans-98.21.1175.9-55.50000113.3L30 F31 M32 F36 L37 A38L30-V34 HydrophobicContact CD1-CG1 4.41Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.5Å; F31-V34 PolarHBondContact O-N 3.31Å; M32-V34 VanDerWaalsContact C-N 3.32Å; M32-V34 PolarHBondContact O-N 3.08Å; V34-F36 VanDerWaalsContact C-N 3.35Å; V34-F36 PolarHBondContact O-N 3.3Å; V34-L37 PolarHBondContact O-N 2.94Å; V34-L37 VanDerWaalsContact O-N 3.13Å; V34-A38 WeakPolarHBondContact O-CB 3.29Å; V34-A38 PolarHBondContact O-N 3.3Å
35A95.2Very high91.3Very high20 Ų2049.5 Ų49.517%0.16529%0.286CS..Hα-helixtrans-55.2-45.1-170.800000113.3F31 M32 A38 V39 F105 Y116F31-A35 WeakPolarHBondContact O-CA 3.47Å; F31-A35 WeakPolarHBondContact O-CB 3.31Å; F31-A35 PolarHBondContact O-N 2.59Å; M32-A35 VanDerWaalsContact O-CB 3.28Å; M32-A35 WeakPolarHBondContact O-CB 3.43Å; M32-A35 PolarHBondContact O-N 3.12Å; A35-A38 PolarHBondContact O-N 3.36Å; A35-V39 WeakPolarHBondContact O-CB 3.41Å; A35-V39 VanDerWaalsContact O-CG2 3.29Å; A35-V39 WeakPolarHBondContact O-CG2 3.44Å; A35-V39 PolarHBondContact O-N 3.49Å; A35-F105 HydrophobicContact CB-CE2 4.17Å; A35-F105 HydrophobicContact CB-CZ 4.32Å; A35-Y116 HydrophobicContact CB-CD2 4.49Å; A35-Y116 HydrophobicContact CB-CE2 3.91Å
36F93.9Very high91.2Very high0 Ų047.6 Ų47.60%028%0.279CS..Hα-helixtrans-63.5-45.2179.6-176.7-97.8000112.2V34 A38 V39 R40 F61 E65 N101 L104 F105 L108V34-F36 VanDerWaalsContact C-N 3.35Å; V34-F36 PolarHBondContact O-N 3.3Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.96Å; F36-V39 PolarHBondContact O-N 3.25Å; F36-R40 HydrophobicContact CD1-CG 4.34Å; F36-R40 HydrophobicContact CE1-CG 3.9Å; F36-R40 HydrophobicContact CE2-CG 4.28Å; F36-R40 HydrophobicContact CZ-CG 3.86Å; F36-R40 WeakPolarHBondContact O-CG 3.19Å; F36-R40 PolarHBondContact O-N 2.99Å; F36-F61 HydrophobicContact CD1-CE1 4.24Å; F36-F61 HydrophobicContact CE1-CD1 4.04Å; F36-F61 AromaticContact CE1-CE1 3.88Å; F36-F61 HydrophobicContact CE1-CE1 3.88Å; F36-E65 HydrophobicContact CZ-CG 4.3Å; F36-E65 WeakPolarHBondContact CZ-OE1 3.41Å; F36-N101 HydrophobicContact CB-CB 4.46Å; F36-N101 WeakPolarHBondContact CB-OD1 3.21Å; F36-L104 HydrophobicContact CB-CD1 4.41Å; F36-L104 HydrophobicContact CD1-CB 4.03Å; F36-L104 HydrophobicContact CD1-CD1 3.66Å; F36-L104 HydrophobicContact CD1-CD2 4.49Å; F36-L104 HydrophobicContact CD1-CG 4.27Å; F36-L104 HydrophobicContact CD2-CB 3.57Å; F36-L104 HydrophobicContact CE1-CB 4.06Å; F36-L104 HydrophobicContact CE1-CD1 4.05Å; F36-L104 HydrophobicContact CE1-CD2 4.04Å; F36-L104 HydrophobicContact CE1-CG 4.28Å; F36-L104 HydrophobicContact CE2-CB 3.63Å; F36-L104 HydrophobicContact CG-CB 3.78Å; F36-L104 HydrophobicContact CG-CD1 3.97Å; F36-L104 HydrophobicContact CG-CG 4.45Å; F36-L104 HydrophobicContact CZ-CB 3.88Å; F36-L104 HydrophobicContact CZ-CD2 4.21Å; F36-L104 HydrophobicContact CZ-CG 4.48Å; F36-F105 HydrophobicContact CB-CE2 3.96Å; F36-F105 HydrophobicContact CB-CZ 4.03Å; F36-F105 AromaticContact CD2-CD1 3.94Å; F36-F105 HydrophobicContact CD2-CD1 3.94Å; F36-F105 HydrophobicContact CD2-CD2 4.35Å; F36-F105 AromaticContact CD2-CE1 3.91Å; F36-F105 HydrophobicContact CD2-CE1 3.91Å; F36-F105 HydrophobicContact CD2-CE2 4.32Å; F36-F105 HydrophobicContact CD2-CG 4.16Å; F36-F105 HydrophobicContact CD2-CZ 4.11Å; F36-L108 HydrophobicContact CE2-CB 4.39Å; F36-L108 HydrophobicContact CE2-CD2 4.31Å
37L92.6Very high91Very high69 Ų6951.8 Ų51.836%0.36130%0.302SS..Hα-helixtrans-62.4-42.3177.1-58.5177.3000111V34 R40 K41 F61 L69V34-L37 PolarHBondContact O-N 2.94Å; V34-L37 VanDerWaalsContact O-N 3.13Å; L37-R40 PolarHBondContact O-N 3.05Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 2.86Å; L37-F61 HydrophobicContact CD2-CE1 3.78Å; L37-F61 HydrophobicContact CD2-CE2 4.27Å; L37-F61 HydrophobicContact CD2-CZ 3.42Å; L37-F61 VanDerWaalsContact CD2-CZ 3.42Å; L37-L69 HydrophobicContact CD2-CD1 3.96Å; L37-L69 HydrophobicContact CD2-CD2 4.35Å
38A92.8Very high90.7Very high45 Ų4557.8 Ų57.837%0.37233%0.327SS..Hα-helixtrans-62.5-47.1177.700000111.4V34 A35 F36 R40 K41 T42V34-A38 WeakPolarHBondContact O-CB 3.29Å; V34-A38 PolarHBondContact O-N 3.3Å; A35-A38 PolarHBondContact O-N 3.36Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.96Å; A38-R40 VanDerWaalsContact C-N 3.3Å; A38-R40 PolarHBondContact O-N 3.32Å; A38-K41 PolarHBondContact O-N 2.98Å; A38-T42 VanDerWaalsContact O-CB 3.25Å; A38-T42 WeakPolarHBondContact O-CB 3.25Å; A38-T42 PolarHBondContact O-N 2.98Å; A38-T42 PolarHBondContact O-OG1 2.93Å
39V91.8Very high90.2Very high27 Ų2757.6 Ų57.616%0.16432%0.321CS..Hα-helixtrans-60.4-40.5177.61690000111.3A35 F36 I45 L49 F105A35-V39 WeakPolarHBondContact O-CB 3.41Å; A35-V39 VanDerWaalsContact O-CG2 3.29Å; A35-V39 WeakPolarHBondContact O-CG2 3.44Å; A35-V39 PolarHBondContact O-N 3.49Å; F36-V39 PolarHBondContact O-N 3.25Å; V39-I45 HydrophobicContact CG1-CG2 4.04Å; V39-L49 HydrophobicContact CG1-CD1 4.03Å; V39-L49 HydrophobicContact CG1-CD2 3.85Å; V39-L49 HydrophobicContact CG1-CG 4.45Å; V39-F105 HydrophobicContact CB-CE1 4.32Å; V39-F105 HydrophobicContact CB-CZ 4.44Å; V39-F105 HydrophobicContact CG1-CE1 4.34Å; V39-F105 HydrophobicContact CG2-CE1 4.2Å; V39-F105 HydrophobicContact CG2-CZ 4.09Å
40R90.1Very high89.3Confident3 Ų360.7 Ų60.71%0.01135%0.347CS..Hα-helixtrans-74-29.7-179.6-70-74.1-93.5177.6-13.5113.9F36 L37 A38 C46 S58 C59 D60 F61 E65F36-R40 HydrophobicContact CD1-CG 4.34Å; F36-R40 HydrophobicContact CE1-CG 3.9Å; F36-R40 HydrophobicContact CE2-CG 4.28Å; F36-R40 HydrophobicContact CZ-CG 3.86Å; F36-R40 WeakPolarHBondContact O-CG 3.19Å; F36-R40 PolarHBondContact O-N 2.99Å; L37-R40 PolarHBondContact O-N 3.05Å; A38-R40 VanDerWaalsContact C-N 3.3Å; A38-R40 PolarHBondContact O-N 3.32Å; R40-C46 WeakPolarHBondContact O-CB 2.92Å; R40-S58 PolarHBondContact NH1-O 2.9Å; R40-C59 CarbonylContact O-C 3.58Å; R40-C59 VanDerWaalsContact O-CA 3.31Å; R40-C59 WeakPolarHBondContact O-CA 3.48Å; R40-C59 VanDerWaalsContact O-O 3.06Å; R40-D60 PolarHBondContact NH2-O 2.74Å; R40-F61 HydrophobicContact CB-CD1 4.34Å; R40-F61 HydrophobicContact CB-CE1 3.63Å; R40-F61 HydrophobicContact CB-CZ 4.11Å; R40-F61 HydrophobicContact CG-CD1 4.32Å; R40-F61 HydrophobicContact CG-CE1 3.86Å; R40-E65 IonicContact CZ-OE1 2.66Å; R40-E65 IonicContact CZ-OE2 3.79Å; R40-E65 IonicContact NE-OE1 2.76Å; R40-E65 IonicContact NE-OE2 3.78Å; R40-E65 PolarHBondContact NE-OE2 2.68Å; R40-E65 VanDerWaalsContact NH2-CD 3.3Å; R40-E65 IonicContact NH2-OE1 2.83Å; R40-E65 PolarHBondContact NH2-OE1 2.93Å; R40-E65 VanDerWaalsContact NH2-OE1 3.16Å; R40-E65 IonicContact NH2-OE2 2.68Å; R40-E65 PolarHBondContact NH2-OE2 3.42Å
41K90.2Very high88Confident104 Ų10458 Ų5845%0.45234%0.336SS..Hα-helixtrans-104.8-2.8-175.2-65.7-63.5175.4-169.70115.1L37 A38 P43 C59 D60 F61L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 2.86Å; A38-K41 PolarHBondContact O-N 2.98Å; K41-P43 WeakPolarHBondContact O-CD 3.08Å; K41-C59 WeakPolarHBondContact CE-O 3.49Å; K41-C59 PolarHBondContact NZ-O 3.01Å; K41-D60 IonicContact NZ-OD1 3.59Å; K41-D60 PolarHBondContact NZ-OD1 3.22Å; K41-F61 VanDerWaalsContact CE-CE2 3.45Å; K41-F61 HydrophobicContact CG-CE2 4.43Å; K41-F61 HydrophobicContact CG-CZ 4.24Å
42T90.2Very high86.7Confident57 Ų5759.9 Ų59.935%0.3535%0.347SS..SBendtrans-87.2115.2176.9-57.10000110.2A38 I45 C46A38-T42 VanDerWaalsContact O-CB 3.25Å; A38-T42 WeakPolarHBondContact O-CB 3.25Å; A38-T42 PolarHBondContact O-N 2.98Å; A38-T42 PolarHBondContact O-OG1 2.93Å; T42-I45 HydrophobicContact CG2-CD1 3.95Å; T42-I45 HydrophobicContact CG2-CG1 4.22Å; T42-I45 PolarHBondContact O-N 2.92Å; T42-C46 WeakPolarHBondContact O-CB 3.21Å; T42-C46 PolarHBondContact O-N 2.96Å; T42-C46 PolarHBondContact O-SG 2.89Å; T42-C46 VanDerWaalsContact O-SG 3.32Å
43P84.8Confident85.5Confident108 Ų10862.4 Ų62.470%0.70136%0.356SS*.THydrogen-bonded Turntrans-61.1145.617826.1-33.4000110.7K41 I45K41-P43 WeakPolarHBondContact O-CD 3.08Å; P43-I45 PolarHBondContact O-N 2.9Å
44G85.6Confident84Confident50 Ų5071.5 Ų71.552%0.51540%0.397SS..THydrogen-bonded Turntrans84.9-42.3-173.600000113.9D47G44-D47 WeakPolarHBondContact CA-OD2 3.28Å; G44-D47 PolarHBondContact N-OD2 3.47Å
45I86.2Confident82.9Confident89 Ų8974.1 Ų74.146%0.45641%0.409SS..THydrogen-bonded Turntrans-74.6-53.8170.9-59.6178.4000108.8V39 T42 P43 D47 H48 L49V39-I45 HydrophobicContact CG1-CG2 4.04Å; T42-I45 HydrophobicContact CG2-CD1 3.95Å; T42-I45 HydrophobicContact CG2-CG1 4.22Å; T42-I45 PolarHBondContact O-N 2.92Å; P43-I45 PolarHBondContact O-N 2.9Å; I45-D47 VanDerWaalsContact C-N 3.26Å; I45-D47 PolarHBondContact O-N 3.35Å; I45-H48 PolarHBondContact O-N 3.21Å; I45-H48 VanDerWaalsContact O-N 3.08Å; I45-L49 HydrophobicContact CG2-CD1 4.1Å; I45-L49 WeakPolarHBondContact O-CD1 3Å
46C85.9Confident81.7Confident4 Ų475.8 Ų75.83%0.02743%0.427CS..G310 helixtrans-60.8-33.9-174.169.20000113R40 T42 H48 L49 S58 C59R40-C46 WeakPolarHBondContact O-CB 2.92Å; T42-C46 WeakPolarHBondContact O-CB 3.21Å; T42-C46 PolarHBondContact O-N 2.96Å; T42-C46 PolarHBondContact O-SG 2.89Å; T42-C46 VanDerWaalsContact O-SG 3.32Å; C46-H48 PolarHBondContact O-N 3.3Å; C46-L49 WeakPolarHBondContact O-CB 3.41Å; C46-L49 PolarHBondContact O-N 3.06Å; C46-S58 WeakPolarHBondContact O-CB 3.41Å; C46-C59 HydrophobicContact CB-CB 3.77Å; C46-C59 WeakPolarHBondContact CB-SG 3.33Å; C46-C59 WeakPolarHBondContact SG-CB 3.4Å; C46-C59 CovalentContact SG-SG 2.04Å; C46-C59 PolarHBondContact SG-SG 3.34Å
47D83.6Confident81.1Confident106 Ų10678.6 Ų78.657%0.56744%0.443SS*.G310 helixtrans-67-23.6179.1-55.4-56.7000113.4G44 I45 C59G44-D47 WeakPolarHBondContact CA-OD2 3.28Å; G44-D47 PolarHBondContact N-OD2 3.47Å; I45-D47 VanDerWaalsContact C-N 3.26Å; I45-D47 PolarHBondContact O-N 3.35Å; D47-C59 PolarHBondContact OD1-SG 3.46Å; D47-C59 VanDerWaalsContact OD1-SG 3.4Å
48H83.3Confident80.5Confident177 Ų17775.9 Ų75.982%0.81943%0.43SS*.G310 helixtrans-94.30.2-179.9-123.272.7000113.4I45 C46I45-H48 PolarHBondContact O-N 3.21Å; I45-H48 VanDerWaalsContact O-N 3.08Å; C46-H48 PolarHBondContact O-N 3.3Å
49L82.9Confident80.2Confident28 Ų2874.8 Ų74.815%0.14742%0.419CS..SBendtrans-74.3140.3175.6-86.761.8000110.4V39 I45 C46 S51 S58 L108V39-L49 HydrophobicContact CG1-CD1 4.03Å; V39-L49 HydrophobicContact CG1-CD2 3.85Å; V39-L49 HydrophobicContact CG1-CG 4.45Å; I45-L49 HydrophobicContact CG2-CD1 4.1Å; I45-L49 WeakPolarHBondContact O-CD1 3Å; C46-L49 WeakPolarHBondContact O-CB 3.41Å; C46-L49 PolarHBondContact O-N 3.06Å; L49-S51 PolarHBondContact O-N 3.05Å; L49-S51 VanDerWaalsContact O-N 3.13Å; L49-S58 PolarHBondContact O-OG 3.2Å; L49-L108 HydrophobicContact CD2-CD1 4.02Å; L49-L108 HydrophobicContact CD2-CD2 3.43Å; L49-L108 VanDerWaalsContact CD2-CD2 3.43Å; L49-L108 HydrophobicContact CD2-CG 4.3Å; L49-L108 HydrophobicContact CG-CD2 4.06Å
50A72.7Confident79.9Confident66 Ų6676.9 Ų76.955%0.54543%0.429SS..  trans-62.2113.7164.600000108.9
51S68.1Low79.8Confident39 Ų3979.1 Ų79.127%0.27344%0.439SS..  trans-100.7129173.1177.60000110.2L49 R53 S58L49-S51 PolarHBondContact O-N 3.05Å; L49-S51 VanDerWaalsContact O-N 3.13Å; S51-R53 WeakPolarHBondContact OG-CB 3.09Å; S51-R53 PolarHBondContact OG-N 3.3Å; S51-R53 VanDerWaalsContact OG-N 3.11Å; S51-S58 WeakPolarHBondContact CB-OG 3.36Å
52Q65.8Low79.7Confident184 Ų18475.7 Ų75.786%0.8643%0.425SS*.  trans-88.55.7170.4-70.5-99-40.900111.5
53R69.1Low79.5Confident65 Ų6582.8 Ų82.825%0.24545%0.446CS..  trans-84.9139.6-173.7-163.4-175.6174108-2.5111.3S51 D55 G56 F61 D62S51-R53 WeakPolarHBondContact OG-CB 3.09Å; S51-R53 PolarHBondContact OG-N 3.3Å; S51-R53 VanDerWaalsContact OG-N 3.11Å; R53-D55 HydrophobicContact CG-CB 4.35Å; R53-D55 IonicContact CZ-OD2 3.3Å; R53-D55 VanDerWaalsContact CZ-OD2 3.3Å; R53-D55 IonicContact NE-OD2 2.76Å; R53-D55 PolarHBondContact NE-OD2 3.07Å; R53-D55 IonicContact NH2-OD2 2.92Å; R53-D55 PolarHBondContact NH2-OD2 2.95Å; R53-D55 PolarHBondContact O-N 2.79Å; R53-G56 PolarHBondContact O-N 3.03Å; R53-F61 PolarHBondContact NH1-O 2.9Å; R53-F61 VanDerWaalsContact NH1-O 3.1Å; R53-D62 WeakPolarHBondContact CD-OD1 3.45Å; R53-D62 IonicContact NH1-OD1 3.12Å; R53-D62 PolarHBondContact NH1-OD1 2.73Å; R53-D62 VanDerWaalsContact NH1-OD1 3.12Å
54E65.1Low79.8Confident201 Ų20184.2 Ų84.294%0.93944%0.437SS*.THydrogen-bonded Turntrans-61-32.1177.8-63.7-177.8171.800112.7G56E54-G56 PolarHBondContact O-N 3.17Å
55D70.4Confident80Confident115 Ų11582 Ų8262%0.61541%0.414SS*.THydrogen-bonded Turntrans-75.8-7.7-179.5-52.7-28.2000113.7R53 N57R53-D55 HydrophobicContact CG-CB 4.35Å; R53-D55 IonicContact CZ-OD2 3.3Å; R53-D55 VanDerWaalsContact CZ-OD2 3.3Å; R53-D55 IonicContact NE-OD2 2.76Å; R53-D55 PolarHBondContact NE-OD2 3.07Å; R53-D55 IonicContact NH2-OD2 2.92Å; R53-D55 PolarHBondContact NH2-OD2 2.95Å; R53-D55 PolarHBondContact O-N 2.79Å; D55-N57 PolarHBondContact O-N 2.84Å
56G70.6Confident80.3Confident54 Ų5480.4 Ų80.456%0.55741%0.408SS*.  trans67.9-5.9-176.500000115.8R53 E54 S58R53-G56 PolarHBondContact O-N 3.03Å; E54-G56 PolarHBondContact O-N 3.17Å; G56-S58 PolarHBondContact O-N 2.99Å
57N81.4Confident80.7Confident59 Ų5984.2 Ų84.232%0.31643%0.426SS..  trans-78.7106.2179.3-174.39000111.9D55 C59 D60D55-N57 PolarHBondContact O-N 2.84Å; N57-C59 VanDerWaalsContact C-N 3.35Å; N57-C59 PolarHBondContact OD1-N 2.88Å; N57-D60 VanDerWaalsContact ND2-CG 3.34Å; N57-D60 PolarHBondContact ND2-OD2 2.94Å
58S80.6Confident81.2Confident13 Ų1380.9 Ų80.99%0.09141%0.407CS..THydrogen-bonded Turntrans-80.7-6.6178.2-58.60000114.6R40 C46 L49 S51 G56R40-S58 PolarHBondContact NH1-O 2.9Å; C46-S58 WeakPolarHBondContact O-CB 3.41Å; L49-S58 PolarHBondContact O-OG 3.2Å; S51-S58 WeakPolarHBondContact CB-OG 3.36Å; G56-S58 PolarHBondContact O-N 2.99Å
59C85.8Confident81.7Confident21 Ų2174.4 Ų74.414%0.14238%0.378CS..THydrogen-bonded Turntrans-98.6-7.4-176.5-55.20000113.8R40 K41 C46 D47 N57R40-C59 CarbonylContact O-C 3.58Å; R40-C59 VanDerWaalsContact O-CA 3.31Å; R40-C59 WeakPolarHBondContact O-CA 3.48Å; R40-C59 VanDerWaalsContact O-O 3.06Å; K41-C59 WeakPolarHBondContact CE-O 3.49Å; K41-C59 PolarHBondContact NZ-O 3.01Å; C46-C59 HydrophobicContact CB-CB 3.77Å; C46-C59 WeakPolarHBondContact CB-SG 3.33Å; C46-C59 WeakPolarHBondContact SG-CB 3.4Å; C46-C59 CovalentContact SG-SG 2.04Å; C46-C59 PolarHBondContact SG-SG 3.34Å; D47-C59 PolarHBondContact OD1-SG 3.46Å; D47-C59 VanDerWaalsContact OD1-SG 3.4Å; N57-C59 VanDerWaalsContact C-N 3.35Å; N57-C59 PolarHBondContact OD1-N 2.88Å
60D85.8Confident82.2Confident71 Ų7179.3 Ų79.338%0.3840%0.402SS..SBendtrans-103.1149.9176.2-82.8-25.2000112.8R40 K41 N57R40-D60 PolarHBondContact NH2-O 2.74Å; K41-D60 IonicContact NZ-OD1 3.59Å; K41-D60 PolarHBondContact NZ-OD1 3.22Å; N57-D60 VanDerWaalsContact ND2-CG 3.34Å; N57-D60 PolarHBondContact ND2-OD2 2.94Å
61F87.8Confident83.3Confident50 Ų5082.5 Ų82.522%0.21940%0.404CS..PPolyproline II helixtrans-75.5141-178.9-61.3-66.4000111.2F36 L37 R40 K41 R53 E65 V66F36-F61 HydrophobicContact CD1-CE1 4.24Å; F36-F61 HydrophobicContact CE1-CD1 4.04Å; F36-F61 AromaticContact CE1-CE1 3.88Å; F36-F61 HydrophobicContact CE1-CE1 3.88Å; L37-F61 HydrophobicContact CD2-CE1 3.78Å; L37-F61 HydrophobicContact CD2-CE2 4.27Å; L37-F61 HydrophobicContact CD2-CZ 3.42Å; L37-F61 VanDerWaalsContact CD2-CZ 3.42Å; R40-F61 HydrophobicContact CB-CD1 4.34Å; R40-F61 HydrophobicContact CB-CE1 3.63Å; R40-F61 HydrophobicContact CB-CZ 4.11Å; R40-F61 HydrophobicContact CG-CD1 4.32Å; R40-F61 HydrophobicContact CG-CE1 3.86Å; K41-F61 VanDerWaalsContact CE-CE2 3.45Å; K41-F61 HydrophobicContact CG-CE2 4.43Å; K41-F61 HydrophobicContact CG-CZ 4.24Å; R53-F61 PolarHBondContact NH1-O 2.9Å; R53-F61 VanDerWaalsContact NH1-O 3.1Å; F61-E65 VanDerWaalsContact CA-OE2 3.31Å; F61-E65 WeakPolarHBondContact CA-OE2 3.31Å; F61-V66 HydrophobicContact CB-CG2 3.85Å
62D87.6Confident84.5Confident32 Ų3281.9 Ų81.917%0.17140%0.397CS..PPolyproline II helixtrans-79.2153170.7-73.2-20.9000110.9R53 R64 E65 V66R53-D62 WeakPolarHBondContact CD-OD1 3.45Å; R53-D62 IonicContact NH1-OD1 3.12Å; R53-D62 PolarHBondContact NH1-OD1 2.73Å; R53-D62 VanDerWaalsContact NH1-OD1 3.12Å; D62-R64 PolarHBondContact O-N 2.91Å; D62-R64 VanDerWaalsContact O-N 3.13Å; D62-E65 HydrophobicContact CB-CG 4.11Å; D62-E65 PolarHBondContact N-OE2 2.87Å; D62-E65 WeakPolarHBondContact O-CA 3.45Å; D62-E65 WeakPolarHBondContact O-CB 3.5Å; D62-E65 PolarHBondContact O-N 3.4Å; D62-V66 PolarHBondContact O-N 2.78Å
63W87.1Confident85.8Confident207 Ų20776.7 Ų76.778%0.78438%0.382SS*.Hα-helixtrans-52.4-39177.9-76.2109.9000112.9V66 E67W63-V66 PolarHBondContact O-N 2.86Å; W63-E67 WeakPolarHBondContact O-CG 3.41Å; W63-E67 PolarHBondContact O-N 3.12Å
64R89.8Confident86.9Confident137 Ų13775.5 Ų75.552%0.51739%0.386SS..Hα-helixtrans-67-34.7176-65-60.6-158.8176.31.1113.1D62 E67 I68 R107D62-R64 PolarHBondContact O-N 2.91Å; D62-R64 VanDerWaalsContact O-N 3.13Å; R64-E67 WeakPolarHBondContact CD-OE2 3.06Å; R64-E67 IonicContact CZ-OE2 3.62Å; R64-E67 IonicContact NE-OE2 3.28Å; R64-E67 IonicContact NH1-OE1 3.12Å; R64-E67 IonicContact NH1-OE2 2.66Å; R64-E67 PolarHBondContact NH1-OE2 2.9Å; R64-I68 WeakPolarHBondContact O-CD1 3.05Å; R64-I68 VanDerWaalsContact O-CG1 3.27Å; R64-I68 WeakPolarHBondContact O-CG1 2.93Å; R64-I68 PolarHBondContact O-N 2.82Å; R64-I68 VanDerWaalsContact O-N 3.08Å; R64-R107 VanDerWaalsContact CB-CZ 3.47Å
65E91.2Very high88.3Confident4 Ų469.5 Ų69.52%0.01936%0.359CS..Hα-helixtrans-70.2-40.6175.4-62173.5161.700110.5F36 R40 F61 D62 I68 L69 L104F36-E65 HydrophobicContact CZ-CG 4.3Å; F36-E65 WeakPolarHBondContact CZ-OE1 3.41Å; R40-E65 IonicContact CZ-OE1 2.66Å; R40-E65 IonicContact CZ-OE2 3.79Å; R40-E65 IonicContact NE-OE1 2.76Å; R40-E65 IonicContact NE-OE2 3.78Å; R40-E65 PolarHBondContact NE-OE2 2.68Å; R40-E65 VanDerWaalsContact NH2-CD 3.3Å; R40-E65 IonicContact NH2-OE1 2.83Å; R40-E65 PolarHBondContact NH2-OE1 2.93Å; R40-E65 VanDerWaalsContact NH2-OE1 3.16Å; R40-E65 IonicContact NH2-OE2 2.68Å; R40-E65 PolarHBondContact NH2-OE2 3.42Å; F61-E65 VanDerWaalsContact CA-OE2 3.31Å; F61-E65 WeakPolarHBondContact CA-OE2 3.31Å; D62-E65 HydrophobicContact CB-CG 4.11Å; D62-E65 PolarHBondContact N-OE2 2.87Å; D62-E65 WeakPolarHBondContact O-CA 3.45Å; D62-E65 WeakPolarHBondContact O-CB 3.5Å; D62-E65 PolarHBondContact O-N 3.4Å; E65-I68 PolarHBondContact O-N 2.81Å; E65-L69 WeakPolarHBondContact O-CG 3.41Å; E65-L69 PolarHBondContact O-N 2.94Å; E65-L104 HydrophobicContact CB-CD2 3.92Å; E65-L104 HydrophobicContact CG-CD2 4.04Å
66V92.3Very high89.3Confident55 Ų5565.2 Ų65.233%0.33334%0.337SS..Hα-helixtrans-61.8-43.8173.3178.60000110.8F61 D62 W63 I68 L69 M70F61-V66 HydrophobicContact CB-CG2 3.85Å; D62-V66 PolarHBondContact O-N 2.78Å; W63-V66 PolarHBondContact O-N 2.86Å; V66-I68 VanDerWaalsContact C-N 3.33Å; V66-I68 PolarHBondContact O-N 3.28Å; V66-L69 PolarHBondContact O-N 2.57Å; V66-M70 HydrophobicContact CG1-CG 4.31Å; V66-M70 WeakPolarHBondContact O-CB 3.29Å; V66-M70 VanDerWaalsContact O-CG 3.23Å; V66-M70 WeakPolarHBondContact O-CG 3.39Å; V66-M70 PolarHBondContact O-N 3.42Å
67E94.3Very high90.3Very high85 Ų8569.2 Ų69.240%0.39734%0.343SS..Hα-helixtrans-54.4-48.6172.6-77.1173.8-179.100111.1W63 R64 L69 M70 F71W63-E67 WeakPolarHBondContact O-CG 3.41Å; W63-E67 PolarHBondContact O-N 3.12Å; R64-E67 WeakPolarHBondContact CD-OE2 3.06Å; R64-E67 IonicContact CZ-OE2 3.62Å; R64-E67 IonicContact NE-OE2 3.28Å; R64-E67 IonicContact NH1-OE1 3.12Å; R64-E67 IonicContact NH1-OE2 2.66Å; R64-E67 PolarHBondContact NH1-OE2 2.9Å; E67-L69 PolarHBondContact O-N 3.02Å; E67-M70 PolarHBondContact O-N 2.62Å; E67-F71 HydrophobicContact CB-CE2 4.46Å; E67-F71 WeakPolarHBondContact O-CD2 3.19Å; E67-F71 PolarHBondContact O-N 2.66Å
68I93.8Very high90.8Very high35 Ų3572.9 Ų72.918%0.17936%0.36CS..Hα-helixtrans-62-42.8178.8-67.6162.4000111.4R64 E65 V66 M70 F71 L72 I103 L104R64-I68 WeakPolarHBondContact O-CD1 3.05Å; R64-I68 VanDerWaalsContact O-CG1 3.27Å; R64-I68 WeakPolarHBondContact O-CG1 2.93Å; R64-I68 PolarHBondContact O-N 2.82Å; R64-I68 VanDerWaalsContact O-N 3.08Å; E65-I68 PolarHBondContact O-N 2.81Å; V66-I68 VanDerWaalsContact C-N 3.33Å; V66-I68 PolarHBondContact O-N 3.28Å; I68-M70 VanDerWaalsContact C-N 3.34Å; I68-F71 PolarHBondContact O-N 2.87Å; I68-L72 WeakPolarHBondContact O-CB 3.46Å; I68-L72 PolarHBondContact O-N 2.82Å; I68-I103 HydrophobicContact CD1-CG2 4.17Å; I68-L104 HydrophobicContact CB-CD2 3.97Å; I68-L104 HydrophobicContact CD1-CD2 3.88Å; I68-L104 HydrophobicContact CG2-CD1 4.36Å; I68-L104 HydrophobicContact CG2-CD2 3.85Å; I68-L104 HydrophobicContact CG2-CG 3.95Å
69L93.6Very high91.2Very high41 Ų4177.7 Ų77.722%0.21538%0.379CS..Hα-helixtrans-66-36.4177.6-69.6171.4000112.1L37 E65 V66 E67 L72 S73 L104L37-L69 HydrophobicContact CD2-CD1 3.96Å; L37-L69 HydrophobicContact CD2-CD2 4.35Å; E65-L69 WeakPolarHBondContact O-CG 3.41Å; E65-L69 PolarHBondContact O-N 2.94Å; V66-L69 PolarHBondContact O-N 2.57Å; E67-L69 PolarHBondContact O-N 3.02Å; L69-L72 HydrophobicContact CD2-CD2 4.38Å; L69-L72 WeakPolarHBondContact O-CB 3.13Å; L69-L72 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-N 3Å; L69-L104 HydrophobicContact CD2-CD1 3.89Å; L69-L104 HydrophobicContact CG-CD1 4.38Å
70M94.1Very high91.4Very high131 Ų13177.5 Ų77.565%0.64538%0.377SS*.Hα-helixtrans-65.9-43.9173.2-71.2-68.5-72.900111.3V66 E67 I68 L72 S73 A74V66-M70 HydrophobicContact CG1-CG 4.31Å; V66-M70 WeakPolarHBondContact O-CB 3.29Å; V66-M70 VanDerWaalsContact O-CG 3.23Å; V66-M70 WeakPolarHBondContact O-CG 3.39Å; V66-M70 PolarHBondContact O-N 3.42Å; E67-M70 PolarHBondContact O-N 2.62Å; I68-M70 VanDerWaalsContact C-N 3.34Å; M70-L72 VanDerWaalsContact C-N 3.34Å; M70-L72 PolarHBondContact O-N 2.91Å; M70-S73 WeakPolarHBondContact O-CB 3.21Å; M70-S73 PolarHBondContact O-N 3.07Å; M70-A74 PolarHBondContact O-N 3.36Å
71F94.5Very high91.4Very high134 Ų13485 Ų8559%0.58840%0.4SS*.Hα-helixtrans-61.8-40.8173.4-77.7-60.6000112.2E67 I68 A74 I75E67-F71 HydrophobicContact CB-CE2 4.46Å; E67-F71 WeakPolarHBondContact O-CD2 3.19Å; E67-F71 PolarHBondContact O-N 2.66Å; I68-F71 PolarHBondContact O-N 2.87Å; F71-A74 PolarHBondContact O-N 3.02Å; F71-I75 WeakPolarHBondContact O-CG1 3.39Å; F71-I75 PolarHBondContact O-N 3.38Å
72L93.6Very high91Very high25 Ų2592.7 Ų92.713%0.13143%0.427CS..Hα-helixtrans-57-50.1173.7169.565.1000110.8I68 L69 M70 A74 I75 V76 F96 A100I68-L72 WeakPolarHBondContact O-CB 3.46Å; I68-L72 PolarHBondContact O-N 2.82Å; L69-L72 HydrophobicContact CD2-CD2 4.38Å; L69-L72 WeakPolarHBondContact O-CB 3.13Å; L69-L72 PolarHBondContact O-N 3.2Å; M70-L72 VanDerWaalsContact C-N 3.34Å; M70-L72 PolarHBondContact O-N 2.91Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 3.33Å; L72-I75 PolarHBondContact O-N 2.94Å; L72-V76 HydrophobicContact CD1-CG2 3.81Å; L72-V76 HydrophobicContact CG-CG2 4.41Å; L72-V76 WeakPolarHBondContact O-CB 3.42Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 2.86Å; L72-F96 VanDerWaalsContact CD1-C 3.45Å; L72-F96 HydrophobicContact CD1-CB 3.74Å; L72-F96 WeakPolarHBondContact CD1-O 3.31Å; L72-A100 HydrophobicContact CB-CB 4.25Å; L72-A100 HydrophobicContact CD1-CB 3.98Å; L72-A100 HydrophobicContact CD2-CB 3.83Å; L72-A100 HydrophobicContact CG-CB 4.23Å
73S92.7Very high90.7Very high76 Ų7692.3 Ų92.353%0.53143%0.429SS..Hα-helixtrans-56.4-46.3177.7-179.50000111.7L69 M70 V76 M77L69-S73 PolarHBondContact O-N 3Å; M70-S73 WeakPolarHBondContact O-CB 3.21Å; M70-S73 PolarHBondContact O-N 3.07Å; S73-V76 PolarHBondContact O-N 2.9Å; S73-M77 WeakPolarHBondContact O-CB 3.36Å; S73-M77 PolarHBondContact O-N 3.3Å
74A94.1Very high90.3Very high40 Ų4086.9 Ų86.933%0.33141%0.414SS..Hα-helixtrans-63-45.6177.900000112.7M70 F71 L72 M77 M78M70-A74 PolarHBondContact O-N 3.36Å; F71-A74 PolarHBondContact O-N 3.02Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 3.33Å; A74-M77 PolarHBondContact O-N 2.88Å; A74-M78 WeakPolarHBondContact O-CB 3.35Å; A74-M78 VanDerWaalsContact O-CG 3.29Å; A74-M78 WeakPolarHBondContact O-CG 3.47Å; A74-M78 PolarHBondContact O-N 3.49Å
75I92.8Very high89.9Confident75 Ų7581 Ų8139%0.38539%0.394SS..Hα-helixtrans-63.7-46.3178.9-70.7170.4000110.7F71 L72 M77 M78 K79 F96F71-I75 WeakPolarHBondContact O-CG1 3.39Å; F71-I75 PolarHBondContact O-N 3.38Å; L72-I75 PolarHBondContact O-N 2.94Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 3.47Å; I75-M78 PolarHBondContact O-N 3.14Å; I75-K79 HydrophobicContact CG2-CG 4.18Å; I75-K79 WeakPolarHBondContact O-CB 3.4Å; I75-K79 VanDerWaalsContact O-CG 3.26Å; I75-K79 WeakPolarHBondContact O-CG 3.39Å; I75-K79 PolarHBondContact O-N 3.03Å; I75-F96 HydrophobicContact CG2-CD1 3.76Å; I75-F96 HydrophobicContact CG2-CD2 4.32Å; I75-F96 HydrophobicContact CG2-CE1 3.88Å; I75-F96 HydrophobicContact CG2-CE2 4.46Å; I75-F96 HydrophobicContact CG2-CG 4.02Å; I75-F96 HydrophobicContact CG2-CZ 4.26Å
76V93Very high89.5Confident24 Ų2485.7 Ų85.715%0.14542%0.422CS..Hα-helixtrans-58.4-47177.1167.70000109.9L72 S73 K79 N80 I93 F96L72-V76 HydrophobicContact CD1-CG2 3.81Å; L72-V76 HydrophobicContact CG-CG2 4.41Å; L72-V76 WeakPolarHBondContact O-CB 3.42Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 2.86Å; S73-V76 PolarHBondContact O-N 2.9Å; V76-K79 PolarHBondContact O-N 3.34Å; V76-N80 WeakPolarHBondContact O-CB 3.46Å; V76-N80 PolarHBondContact O-N 2.84Å; V76-I93 HydrophobicContact CG1-CG1 3.71Å; V76-F96 HydrophobicContact CG2-CB 3.84Å; V76-F96 HydrophobicContact CG2-CD2 4.36Å; V76-F96 HydrophobicContact CG2-CG 4.46Å
77M91.6Very high89Confident138 Ų13885.5 Ų85.568%0.6842%0.418SS*.Hα-helixtrans-61.1-47.1177.3-171.4179.972.300112.1S73 A74 I75 K79 N80 R81S73-M77 WeakPolarHBondContact O-CB 3.36Å; S73-M77 PolarHBondContact O-N 3.3Å; A74-M77 PolarHBondContact O-N 2.88Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 3.47Å; M77-K79 PolarHBondContact O-N 3.05Å; M77-N80 PolarHBondContact O-N 3.44Å; M77-R81 PolarHBondContact O-N 2.59Å; M77-R81 VanDerWaalsContact O-N 3.1Å
78M90.6Very high88.5Confident136 Ų13684.4 Ų84.467%0.6741%0.412SS*.Hα-helixtrans-63.1-40.3179.3-75.1178.87100112.7A74 I75A74-M78 WeakPolarHBondContact O-CB 3.35Å; A74-M78 VanDerWaalsContact O-CG 3.29Å; A74-M78 WeakPolarHBondContact O-CG 3.47Å; A74-M78 PolarHBondContact O-N 3.49Å; I75-M78 PolarHBondContact O-N 3.14Å
79K89.2Confident88.3Confident114 Ų11486.6 Ų86.650%0.49642%0.422SS..Hα-helixtrans-74.8-40.5-179.4-70.3-73.8-174.4175.90111.5I75 V76 M77 R81 R82 F96I75-K79 HydrophobicContact CG2-CG 4.18Å; I75-K79 WeakPolarHBondContact O-CB 3.4Å; I75-K79 VanDerWaalsContact O-CG 3.26Å; I75-K79 WeakPolarHBondContact O-CG 3.39Å; I75-K79 PolarHBondContact O-N 3.03Å; V76-K79 PolarHBondContact O-N 3.34Å; M77-K79 PolarHBondContact O-N 3.05Å; K79-R81 VanDerWaalsContact C-N 3.26Å; K79-R81 PolarHBondContact O-N 2.86Å; K79-R82 PolarHBondContact O-N 3.03Å; K79-F96 HydrophobicContact CB-CE2 3.8Å; K79-F96 HydrophobicContact CB-CZ 4.36Å; K79-F96 HydrophobicContact CD-CE2 4.34Å; K79-F96 HydrophobicContact CD-CZ 4.06Å; K79-F96 HydrophobicContact CG-CE2 3.63Å; K79-F96 HydrophobicContact CG-CZ 3.69Å
80N89.6Confident88Confident17 Ų1786 Ų869%0.09142%0.419CS..Hα-helixtrans-72.2-17.2179.5-75.7-6000113.8V76 M77 R82 A83 H89 N92V76-N80 WeakPolarHBondContact O-CB 3.46Å; V76-N80 PolarHBondContact O-N 2.84Å; M77-N80 PolarHBondContact O-N 3.44Å; N80-R82 PolarHBondContact O-N 3.23Å; N80-R82 VanDerWaalsContact O-N 3.1Å; N80-A83 WeakPolarHBondContact O-CB 3.05Å; N80-A83 PolarHBondContact O-N 3.4Å; N80-H89 PolarHBondContact ND2-CE1 3.46Å; N80-H89 PolarHBondContact ND2-ND1 3.41Å; N80-H89 PolarHBondContact ND2-NE2 3.3Å; N80-H89 PolarHBondContact ND2-O 2.86Å; N80-N92 WeakPolarHBondContact OD1-CB 3.47Å; N80-N92 PolarHBondContact OD1-ND2 2.96Å
81R86.9Confident87.8Confident230 Ų23081 Ų8187%0.86840%0.402SS*.THydrogen-bonded Turntrans-54.6-27.5168.6-175.9178.7176.5-1680.9113.1M77 K79M77-R81 PolarHBondContact O-N 2.59Å; M77-R81 VanDerWaalsContact O-N 3.1Å; K79-R81 VanDerWaalsContact C-N 3.26Å; K79-R81 PolarHBondContact O-N 2.86Å
82R78.9Confident87.6Confident210 Ų21076.2 Ų76.279%0.79238%0.383SS*.THydrogen-bonded Turntrans-101.40.1-179.5-58.9-176.8-174.6-177.70.6113.3K79 N80 I84K79-R82 PolarHBondContact O-N 3.03Å; N80-R82 PolarHBondContact O-N 3.23Å; N80-R82 VanDerWaalsContact O-N 3.1Å; R82-I84 PolarHBondContact O-N 3.1Å
83A81.8Confident87.6Confident25 Ų2577.6 Ų77.621%0.20739%0.39CS..  trans-75125.7179.100000109.3N80 Q88 H89N80-A83 WeakPolarHBondContact O-CB 3.05Å; N80-A83 PolarHBondContact O-N 3.4Å; A83-Q88 HydrophobicContact CB-CB 4.27Å; A83-Q88 HydrophobicContact CB-CG 4.16Å; A83-H89 HydrophobicContact CB-CB 4.17Å
84I77.5Confident87.6Confident92 Ų9275 Ų7547%0.47237%0.369SS..  trans-92.7-34.6179.6-61.6156000109.8R82 T247R82-I84 PolarHBondContact O-N 3.1Å; I84-T247 HydrophobicContact CD1-CG2 3.7Å; I84-T247 HydrophobicContact CG1-CG2 4.24Å; I84-T247 HydrophobicContact CG2-CG2 4.41Å
85T82Confident87.5Confident15 Ų1577.7 Ų77.79%0.09238%0.377CS..SBendtrans-113.3154.6-17664.20000112.6E87 Q88 H89 S172 V176T85-E87 VanDerWaalsContact C-N 3.26Å; T85-E87 WeakPolarHBondContact CB-OE2 3.35Å; T85-E87 PolarHBondContact O-N 2.7Å; T85-Q88 PolarHBondContact O-N 3.32Å; T85-H89 PolarHBondContact O-N 2.82Å; T85-H89 VanDerWaalsContact O-N 3.08Å; T85-S172 WeakPolarHBondContact CG2-O 3.31Å; T85-S172 PolarHBondContact OG1-O 3.42Å; T85-V176 HydrophobicContact CG2-CG2 3.89Å
86V82.6Confident87.6Confident101 Ų10176.3 Ų76.361%0.61237%0.369SS*.Hα-helixtrans-63.6-37.4179.61780000110.2Q88 H89 V90V86-Q88 VanDerWaalsContact C-N 3.32Å; V86-Q88 PolarHBondContact O-N 2.97Å; V86-H89 WeakPolarHBondContact O-CB 3.46Å; V86-H89 PolarHBondContact O-N 3.48Å; V86-V90 HydrophobicContact CG1-CG2 4.22Å; V86-V90 WeakPolarHBondContact O-CB 3.44Å; V86-V90 WeakPolarHBondContact O-CG2 3.36Å; V86-V90 PolarHBondContact O-N 3.01Å
87E81.8Confident87.7Confident52 Ų5276 Ų7624%0.24337%0.367CS..Hα-helixtrans-60.2-42.8176.9-60.689.3166.400111.5W20 T85 G91W20-E87 HydrophobicContact CZ2-CG 3.99Å; T85-E87 VanDerWaalsContact C-N 3.26Å; T85-E87 WeakPolarHBondContact CB-OE2 3.35Å; T85-E87 PolarHBondContact O-N 2.7Å; E87-G91 PolarHBondContact O-N 3.45Å
88Q84.3Confident87.9Confident62 Ų6270.5 Ų70.529%0.2934%0.34SS..Hα-helixtrans-66.5-41.9177.1-169.4176.320.200111.7A83 T85 V86 G91 N92A83-Q88 HydrophobicContact CB-CB 4.27Å; A83-Q88 HydrophobicContact CB-CG 4.16Å; T85-Q88 PolarHBondContact O-N 3.32Å; V86-Q88 VanDerWaalsContact C-N 3.32Å; V86-Q88 PolarHBondContact O-N 2.97Å; Q88-G91 PolarHBondContact O-N 3.07Å; Q88-N92 WeakPolarHBondContact O-CB 3.48Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-ND2 3.14Å
89H88.4Confident88.2Confident80 Ų8067.7 Ų67.737%0.3733%0.33SS..Hα-helixtrans-60.5-50.4178.1-17499000111.7N80 A83 T85 V86 N92 I93N80-H89 PolarHBondContact ND2-CE1 3.46Å; N80-H89 PolarHBondContact ND2-ND1 3.41Å; N80-H89 PolarHBondContact ND2-NE2 3.3Å; N80-H89 PolarHBondContact ND2-O 2.86Å; A83-H89 HydrophobicContact CB-CB 4.17Å; T85-H89 PolarHBondContact O-N 2.82Å; T85-H89 VanDerWaalsContact O-N 3.08Å; V86-H89 WeakPolarHBondContact O-CB 3.46Å; V86-H89 PolarHBondContact O-N 3.48Å; H89-N92 PolarHBondContact O-N 3.43Å; H89-I93 WeakPolarHBondContact NE2-CD1 3.28Å; H89-I93 WeakPolarHBondContact O-CG1 3.15Å; H89-I93 PolarHBondContact O-N 3.24Å
90V88.6Confident88.5Confident28 Ų2862.7 Ų62.717%0.1731%0.31CS..Hα-helixtrans-65.7-41.7179171.40000111W20 Y26 V86 N92 I93 F94W20-V90 HydrophobicContact CH2-CB 4.41Å; W20-V90 HydrophobicContact CH2-CG1 4.34Å; W20-V90 HydrophobicContact CH2-CG2 4.27Å; Y26-V90 HydrophobicContact CD1-CG1 4.36Å; Y26-V90 HydrophobicContact CE1-CG1 4.3Å; V86-V90 HydrophobicContact CG1-CG2 4.22Å; V86-V90 WeakPolarHBondContact O-CB 3.44Å; V86-V90 WeakPolarHBondContact O-CG2 3.36Å; V86-V90 PolarHBondContact O-N 3.01Å; V90-N92 PolarHBondContact O-N 2.88Å; V90-I93 PolarHBondContact O-N 3.48Å; V90-F94 HydrophobicContact CG1-CD2 3.69Å; V90-F94 HydrophobicContact CG1-CE2 3.18Å; V90-F94 HydrophobicContact CG1-CZ 3.84Å; V90-F94 WeakPolarHBondContact O-CD2 3.35Å; V90-F94 PolarHBondContact O-N 3.33Å
91G88.8Confident88.8Confident28 Ų2862 Ų6229%0.28931%0.306SS..Hα-helixtrans-59.6-4417700000112.9E87 Q88 F94 L95E87-G91 PolarHBondContact O-N 3.45Å; Q88-G91 PolarHBondContact O-N 3.07Å; G91-F94 PolarHBondContact O-N 2.79Å; G91-L95 WeakPolarHBondContact O-CB 3.42Å; G91-L95 PolarHBondContact O-N 2.85Å
92N91Very high89.3Confident33 Ų3352.3 Ų52.318%0.17627%0.272CS..Hα-helixtrans-62.5-45.1175.8-75.1-22000112N80 Q88 H89 V90 F94 L95 F96N80-N92 WeakPolarHBondContact OD1-CB 3.47Å; N80-N92 PolarHBondContact OD1-ND2 2.96Å; Q88-N92 WeakPolarHBondContact O-CB 3.48Å; Q88-N92 VanDerWaalsContact O-CG 3.26Å; Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-ND2 3.14Å; H89-N92 PolarHBondContact O-N 3.43Å; V90-N92 PolarHBondContact O-N 2.88Å; N92-F94 PolarHBondContact O-N 2.97Å; N92-L95 PolarHBondContact O-N 3.47Å; N92-F96 HydrophobicContact CB-CD2 4.25Å; N92-F96 HydrophobicContact CB-CE2 4.15Å; N92-F96 WeakPolarHBondContact O-CD2 3.4Å; N92-F96 PolarHBondContact O-N 3.47Å
93I93.1Very high90Very high54 Ų5446.7 Ų46.728%0.27726%0.257SS..Hα-helixtrans-55.3-54176.8-69.1168000109.5V76 H89 V90 L95 F96 S97V76-I93 HydrophobicContact CG1-CG1 3.71Å; H89-I93 WeakPolarHBondContact NE2-CD1 3.28Å; H89-I93 WeakPolarHBondContact O-CG1 3.15Å; H89-I93 PolarHBondContact O-N 3.24Å; V90-I93 PolarHBondContact O-N 3.48Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.48Å; I93-F96 PolarHBondContact O-N 3.44Å; I93-S97 WeakPolarHBondContact O-CB 3.42Å; I93-S97 PolarHBondContact O-N 3.07Å; I93-S97 PolarHBondContact O-OG 2.99Å
94F93.8Very high90.6Very high20 Ų2045.5 Ų45.59%0.08825%0.247CC..Hα-helixtrans-63.3-38.2-178.6-65.7-32.8000113.2Y26 L30 S33 V90 G91 N92 K98Y26-F94 AromaticContact CD1-CE2 3.82Å; Y26-F94 HydrophobicContact CD1-CE2 3.82Å; L30-F94 HydrophobicContact CB-CE1 4.26Å; L30-F94 HydrophobicContact CB-CZ 4.4Å; L30-F94 HydrophobicContact CD1-CE1 4.29Å; S33-F94 VanDerWaalsContact OG-CD1 3.27Å; S33-F94 WeakPolarHBondContact OG-CD1 3.48Å; V90-F94 HydrophobicContact CG1-CD2 3.69Å; V90-F94 HydrophobicContact CG1-CE2 3.18Å; V90-F94 HydrophobicContact CG1-CZ 3.84Å; V90-F94 WeakPolarHBondContact O-CD2 3.35Å; V90-F94 PolarHBondContact O-N 3.33Å; G91-F94 PolarHBondContact O-N 2.79Å; N92-F94 PolarHBondContact O-N 2.97Å; F94-K98 WeakPolarHBondContact O-CB 3.38Å; F94-K98 WeakPolarHBondContact O-CD 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.31Å; F94-K98 PolarHBondContact O-N 3.41Å
95L92.1Very high91.4Very high98 Ų9841.4 Ų41.451%0.51323%0.226SC..Hα-helixtrans-63.8-53.9177.917962.9000111.3G91 N92 I93 K98 V99G91-L95 WeakPolarHBondContact O-CB 3.42Å; G91-L95 PolarHBondContact O-N 2.85Å; N92-L95 PolarHBondContact O-N 3.47Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.48Å; L95-K98 PolarHBondContact O-N 3.08Å; L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 2.95Å; L95-V99 VanDerWaalsContact O-N 3.07Å
96F94.5Very high92Very high46 Ų4644 Ų4420%0.20224%0.236CC..Hα-helixtrans-68.5-37.4-177.2-67.8-62.8000111.9L72 I75 V76 K79 N92 I93 V99 A100L72-F96 VanDerWaalsContact CD1-C 3.45Å; L72-F96 HydrophobicContact CD1-CB 3.74Å; L72-F96 WeakPolarHBondContact CD1-O 3.31Å; I75-F96 HydrophobicContact CG2-CD1 3.76Å; I75-F96 HydrophobicContact CG2-CD2 4.32Å; I75-F96 HydrophobicContact CG2-CE1 3.88Å; I75-F96 HydrophobicContact CG2-CE2 4.46Å; I75-F96 HydrophobicContact CG2-CG 4.02Å; I75-F96 HydrophobicContact CG2-CZ 4.26Å; V76-F96 HydrophobicContact CG2-CB 3.84Å; V76-F96 HydrophobicContact CG2-CD2 4.36Å; V76-F96 HydrophobicContact CG2-CG 4.46Å; K79-F96 HydrophobicContact CB-CE2 3.8Å; K79-F96 HydrophobicContact CB-CZ 4.36Å; K79-F96 HydrophobicContact CD-CE2 4.34Å; K79-F96 HydrophobicContact CD-CZ 4.06Å; K79-F96 HydrophobicContact CG-CE2 3.63Å; K79-F96 HydrophobicContact CG-CZ 3.69Å; N92-F96 HydrophobicContact CB-CD2 4.25Å; N92-F96 HydrophobicContact CB-CE2 4.15Å; N92-F96 WeakPolarHBondContact O-CD2 3.4Å; N92-F96 PolarHBondContact O-N 3.47Å; I93-F96 PolarHBondContact O-N 3.44Å; F96-V99 PolarHBondContact O-N 3.45Å; F96-A100 WeakPolarHBondContact O-CB 3.34Å; F96-A100 PolarHBondContact O-N 3.35Å
97S95.9Very high92.3Very high16 Ų1645.6 Ų45.611%0.11223%0.231CC..Hα-helixtrans-62.5-41.9173.9-67.60000112.1I93 A100 N101I93-S97 WeakPolarHBondContact O-CB 3.42Å; I93-S97 PolarHBondContact O-N 3.07Å; I93-S97 PolarHBondContact O-OG 2.99Å; S97-A100 PolarHBondContact O-N 3.05Å; S97-N101 WeakPolarHBondContact O-CB 3.47Å; S97-N101 PolarHBondContact O-N 3.25Å
98K95.6Very high92.6Very high24 Ų2444.1 Ų44.110%0.10423%0.225CC..Hα-helixtrans-63.5-43.6176-73.2169.4-170.4177.10111.5S29 M32 F94 L95 N101 V102S29-K98 PolarHBondContact OG-NZ 2.82Å; M32-K98 HydrophobicContact CB-CG 4.38Å; M32-K98 HydrophobicContact CE-CD 3.84Å; M32-K98 HydrophobicContact CE-CG 4.06Å; F94-K98 WeakPolarHBondContact O-CB 3.38Å; F94-K98 WeakPolarHBondContact O-CD 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.31Å; F94-K98 PolarHBondContact O-N 3.41Å; L95-K98 PolarHBondContact O-N 3.08Å; K98-N101 PolarHBondContact O-N 3Å; K98-V102 WeakPolarHBondContact O-CG2 3.48Å; K98-V102 PolarHBondContact O-N 3.05Å
99V95.5Very high92.9Very high77 Ų7744 Ų4447%0.46723%0.226SC..Hα-helixtrans-62.2-44.6176.4173.10000111.3L95 F96 N101 V102 I103L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 2.95Å; L95-V99 VanDerWaalsContact O-N 3.07Å; F96-V99 PolarHBondContact O-N 3.45Å; V99-N101 PolarHBondContact O-N 3.45Å; V99-V102 WeakPolarHBondContact O-CB 3.21Å; V99-V102 PolarHBondContact O-N 3.44Å; V99-I103 HydrophobicContact CG1-CD1 4.36Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 2.91Å
100A95.8Very high93Very high8 Ų845.6 Ų45.67%0.06624%0.236CC..Hα-helixtrans-62.2-42.8176.100000111.9L72 F96 S97 V102 I103 L104L72-A100 HydrophobicContact CB-CB 4.25Å; L72-A100 HydrophobicContact CD1-CB 3.98Å; L72-A100 HydrophobicContact CD2-CB 3.83Å; L72-A100 HydrophobicContact CG-CB 4.23Å; F96-A100 WeakPolarHBondContact O-CB 3.34Å; F96-A100 PolarHBondContact O-N 3.35Å; S97-A100 PolarHBondContact O-N 3.05Å; A100-V102 VanDerWaalsContact C-N 3.32Å; A100-V102 PolarHBondContact O-N 3.2Å; A100-I103 PolarHBondContact O-N 3.14Å; A100-I103 VanDerWaalsContact O-N 3.12Å; A100-L104 WeakPolarHBondContact O-CB 3.14Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.22Å; A100-L104 PolarHBondContact O-N 3.35Å
101N96.1Very high93.2Very high3 Ų353.9 Ų53.92%0.01626%0.264CS..Hα-helixtrans-62.5-36.8176.2-76.7-13.4000112.5M32 S33 F36 S97 K98 V99 I103 L104 F105 Y116M32-N101 PolarHBondContact O-ND2 3.49Å; S33-N101 VanDerWaalsContact C-ND2 3.26Å; S33-N101 PolarHBondContact O-ND2 3.45Å; F36-N101 HydrophobicContact CB-CB 4.46Å; F36-N101 WeakPolarHBondContact CB-OD1 3.21Å; S97-N101 WeakPolarHBondContact O-CB 3.47Å; S97-N101 PolarHBondContact O-N 3.25Å; K98-N101 PolarHBondContact O-N 3Å; V99-N101 PolarHBondContact O-N 3.45Å; N101-I103 PolarHBondContact O-N 3.3Å; N101-L104 PolarHBondContact O-N 3.21Å; N101-F105 HydrophobicContact CB-CD2 4.3Å; N101-F105 HydrophobicContact CB-CE2 4.35Å; N101-F105 WeakPolarHBondContact O-CB 3Å; N101-F105 WeakPolarHBondContact O-CD2 3.33Å; N101-F105 PolarHBondContact O-N 3.17Å; N101-Y116 HydrophobicContact CB-CD1 4.32Å; N101-Y116 HydrophobicContact CB-CE1 3.51Å; N101-Y116 HydrophobicContact CB-CE2 4.38Å
102V96.6Very high93.4Very high27 Ų2755.8 Ų55.816%0.16427%0.267CS..Hα-helixtrans-56.2-52.5171.4172.40000109.7K98 V99 A100 L104 F105 F106 Y116 L117K98-V102 WeakPolarHBondContact O-CG2 3.48Å; K98-V102 PolarHBondContact O-N 3.05Å; V99-V102 WeakPolarHBondContact O-CB 3.21Å; V99-V102 PolarHBondContact O-N 3.44Å; A100-V102 VanDerWaalsContact C-N 3.32Å; A100-V102 PolarHBondContact O-N 3.2Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.45Å; V102-F105 PolarHBondContact O-N 3.47Å; V102-F106 HydrophobicContact CG1-CD2 3.61Å; V102-F106 HydrophobicContact CG1-CE2 3.66Å; V102-F106 VanDerWaalsContact O-CD2 3.25Å; V102-F106 WeakPolarHBondContact O-CD2 3.22Å; V102-F106 PolarHBondContact O-N 2.86Å; V102-Y116 HydrophobicContact CB-CD1 4.41Å; V102-Y116 HydrophobicContact CG2-CD1 3.7Å; V102-Y116 HydrophobicContact CG2-CE1 3.74Å; V102-L117 HydrophobicContact CG1-CD1 4.45Å; V102-L117 HydrophobicContact CG2-CD1 4.34Å
103I94.9Very high93.5Very high91 Ų9154.2 Ų54.247%0.46726%0.258SS..Hα-helixtrans-60.3-45-179.1-61.6167.1000111.2I68 V99 A100 N101 F106 R107I68-I103 HydrophobicContact CD1-CG2 4.17Å; V99-I103 HydrophobicContact CG1-CD1 4.36Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 2.91Å; A100-I103 PolarHBondContact O-N 3.14Å; A100-I103 VanDerWaalsContact O-N 3.12Å; N101-I103 PolarHBondContact O-N 3.3Å; I103-F106 PolarHBondContact O-N 3.3Å; I103-R107 WeakPolarHBondContact O-CB 3.1Å; I103-R107 PolarHBondContact O-N 3.02Å
104L93.8Very high93.7Very high0 Ų055.9 Ų55.90%027%0.267CS..Hα-helixtrans-63.8-44.8-180-71.1166.4000111.8F36 E65 I68 L69 A100 N101 V102 R107 L108F36-L104 HydrophobicContact CB-CD1 4.41Å; F36-L104 HydrophobicContact CD1-CB 4.03Å; F36-L104 HydrophobicContact CD1-CD1 3.66Å; F36-L104 HydrophobicContact CD1-CD2 4.49Å; F36-L104 HydrophobicContact CD1-CG 4.27Å; F36-L104 HydrophobicContact CD2-CB 3.57Å; F36-L104 HydrophobicContact CE1-CB 4.06Å; F36-L104 HydrophobicContact CE1-CD1 4.05Å; F36-L104 HydrophobicContact CE1-CD2 4.04Å; F36-L104 HydrophobicContact CE1-CG 4.28Å; F36-L104 HydrophobicContact CE2-CB 3.63Å; F36-L104 HydrophobicContact CG-CB 3.78Å; F36-L104 HydrophobicContact CG-CD1 3.97Å; F36-L104 HydrophobicContact CG-CG 4.45Å; F36-L104 HydrophobicContact CZ-CB 3.88Å; F36-L104 HydrophobicContact CZ-CD2 4.21Å; F36-L104 HydrophobicContact CZ-CG 4.48Å; E65-L104 HydrophobicContact CB-CD2 3.92Å; E65-L104 HydrophobicContact CG-CD2 4.04Å; I68-L104 HydrophobicContact CB-CD2 3.97Å; I68-L104 HydrophobicContact CD1-CD2 3.88Å; I68-L104 HydrophobicContact CG2-CD1 4.36Å; I68-L104 HydrophobicContact CG2-CD2 3.85Å; I68-L104 HydrophobicContact CG2-CG 3.95Å; L69-L104 HydrophobicContact CD2-CD1 3.89Å; L69-L104 HydrophobicContact CG-CD1 4.38Å; A100-L104 WeakPolarHBondContact O-CB 3.14Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.22Å; A100-L104 PolarHBondContact O-N 3.35Å; N101-L104 PolarHBondContact O-N 3.21Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.45Å; L104-R107 WeakPolarHBondContact O-CB 3.15Å; L104-R107 PolarHBondContact O-N 3.15Å; L104-L108 PolarHBondContact O-N 3.34Å
105F94.3Very high93.8Very high6 Ų660.1 Ų60.13%0.02629%0.29CS..Hα-helixtrans-67-40.3177.2-80.3-61.9000112.6A35 F36 V39 N101 V102 R107 L108 D109 M112 Y116A35-F105 HydrophobicContact CB-CE2 4.17Å; A35-F105 HydrophobicContact CB-CZ 4.32Å; F36-F105 HydrophobicContact CB-CE2 3.96Å; F36-F105 HydrophobicContact CB-CZ 4.03Å; F36-F105 AromaticContact CD2-CD1 3.94Å; F36-F105 HydrophobicContact CD2-CD1 3.94Å; F36-F105 HydrophobicContact CD2-CD2 4.35Å; F36-F105 AromaticContact CD2-CE1 3.91Å; F36-F105 HydrophobicContact CD2-CE1 3.91Å; F36-F105 HydrophobicContact CD2-CE2 4.32Å; F36-F105 HydrophobicContact CD2-CG 4.16Å; F36-F105 HydrophobicContact CD2-CZ 4.11Å; V39-F105 HydrophobicContact CB-CE1 4.32Å; V39-F105 HydrophobicContact CB-CZ 4.44Å; V39-F105 HydrophobicContact CG1-CE1 4.34Å; V39-F105 HydrophobicContact CG2-CE1 4.2Å; V39-F105 HydrophobicContact CG2-CZ 4.09Å; N101-F105 HydrophobicContact CB-CD2 4.3Å; N101-F105 HydrophobicContact CB-CE2 4.35Å; N101-F105 WeakPolarHBondContact O-CB 3Å; N101-F105 WeakPolarHBondContact O-CD2 3.33Å; N101-F105 PolarHBondContact O-N 3.17Å; V102-F105 PolarHBondContact O-N 3.47Å; F105-R107 PolarHBondContact O-N 3.06Å; F105-L108 HydrophobicContact CD1-CD2 4.41Å; F105-L108 PolarHBondContact O-N 3.41Å; F105-D109 CarbonylContact O-C 3.55Å; F105-D109 PolarHBondContact O-N 3.43Å; F105-M112 HydrophobicContact CD1-CB 4.08Å; F105-Y116 AromaticContact CD2-CD1 3.84Å; F105-Y116 HydrophobicContact CD2-CD1 3.84Å; F105-Y116 AromaticContact CD2-CD2 3.82Å; F105-Y116 HydrophobicContact CD2-CD2 3.82Å; F105-Y116 HydrophobicContact CD2-CE1 4.45Å; F105-Y116 HydrophobicContact CD2-CE2 4.43Å; F105-Y116 AromaticContact CD2-CG 3.49Å; F105-Y116 HydrophobicContact CD2-CG 3.49Å; F105-Y116 VanDerWaalsContact CD2-CG 3.49Å; F105-Y116 HydrophobicContact CE2-CD1 4.38Å; F105-Y116 AromaticContact CE2-CD2 3.6Å; F105-Y116 HydrophobicContact CE2-CD2 3.6Å; F105-Y116 HydrophobicContact CE2-CE2 4.03Å; F105-Y116 AromaticContact CE2-CG 3.81Å; F105-Y116 HydrophobicContact CE2-CG 3.81Å; F105-Y116 HydrophobicContact CG-CG 4.44Å
106F93.8Very high94Very high71 Ų7155.8 Ų55.831%0.31127%0.267SS..Hα-helixtrans-62.8-33.3174-90.7-74.5000112.8V102 I103 L114 L117V102-F106 HydrophobicContact CG1-CD2 3.61Å; V102-F106 HydrophobicContact CG1-CE2 3.66Å; V102-F106 VanDerWaalsContact O-CD2 3.25Å; V102-F106 WeakPolarHBondContact O-CD2 3.22Å; V102-F106 PolarHBondContact O-N 2.86Å; I103-F106 PolarHBondContact O-N 3.3Å; F106-L114 HydrophobicContact CE1-CD2 4.08Å; F106-L114 HydrophobicContact CE1-CG 4.03Å; F106-L114 HydrophobicContact CZ-CD2 3.9Å; F106-L114 HydrophobicContact CZ-CG 4.16Å; F106-L117 HydrophobicContact CE2-CB 4.34Å; F106-L117 HydrophobicContact CE2-CD2 4.26Å; F106-L117 HydrophobicContact CZ-CD2 4.26Å
107R89.8Confident94.1Very high133 Ų13356.7 Ų56.750%0.50227%0.274SS..Hα-helixtrans-70.6-39.2176.1-168.7-170.8172.277.817.5111.8R64 I103 L104 F105R64-R107 VanDerWaalsContact CB-CZ 3.47Å; I103-R107 WeakPolarHBondContact O-CB 3.1Å; I103-R107 PolarHBondContact O-N 3.02Å; L104-R107 WeakPolarHBondContact O-CB 3.15Å; L104-R107 PolarHBondContact O-N 3.15Å; F105-R107 PolarHBondContact O-N 3.06Å
108L88.4Confident94.1Very high22 Ų2259.9 Ų59.912%0.11529%0.293CS..Hα-helixtrans-68.2-56.2177.6176.168.3000111.5F36 L49 L104 F105F36-L108 HydrophobicContact CE2-CB 4.39Å; F36-L108 HydrophobicContact CE2-CD2 4.31Å; L49-L108 HydrophobicContact CD2-CD1 4.02Å; L49-L108 HydrophobicContact CD2-CD2 3.43Å; L49-L108 VanDerWaalsContact CD2-CD2 3.43Å; L49-L108 HydrophobicContact CD2-CG 4.3Å; L49-L108 HydrophobicContact CG-CD2 4.06Å; L104-L108 PolarHBondContact O-N 3.34Å; F105-L108 HydrophobicContact CD1-CD2 4.41Å; F105-L108 PolarHBondContact O-N 3.41Å
109D89.7Confident94.1Very high58 Ų5862.8 Ų62.831%0.3131%0.309SS..  trans-157.1129.4176.7-172.6-35000109.4F105 R111 M112 G113F105-D109 CarbonylContact O-C 3.55Å; F105-D109 PolarHBondContact O-N 3.43Å; D109-R111 PolarHBondContact O-N 3.04Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CB 3.43Å; D109-R111 PolarHBondContact OD1-N 3.04Å; D109-M112 HydrophobicContact CB-CB 4.29Å; D109-M112 HydrophobicContact CB-CG 4.11Å; D109-M112 PolarHBondContact O-N 2.68Å; D109-G113 PolarHBondContact O-N 2.72Å
110I91.5Very high94.1Very high114 Ų11459.7 Ų59.759%0.58529%0.291SS*.Hα-helixtrans-52-38.3177.4-65.4172.2000111.7G113 L114I110-G113 PolarHBondContact O-N 3Å; I110-L114 HydrophobicContact CG2-CD1 4.05Å; I110-L114 HydrophobicContact CG2-CG 4.43Å; I110-L114 VanDerWaalsContact O-CG 3.32Å; I110-L114 WeakPolarHBondContact O-CG 3.49Å; I110-L114 PolarHBondContact O-N 3.35Å
111R93.2Very high94Very high202 Ų20263.8 Ų63.876%0.76231%0.31SS*.Hα-helixtrans-64.8-44179.5-62.3176.6179.2-175.71.3111.6D109 L114 L115D109-R111 PolarHBondContact O-N 3.04Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CB 3.43Å; D109-R111 PolarHBondContact OD1-N 3.04Å; R111-L114 PolarHBondContact O-N 3.14Å; R111-L115 WeakPolarHBondContact O-CB 3.29Å; R111-L115 PolarHBondContact O-N 3.4Å
112M91.8Very high93.9Very high68 Ų6867.2 Ų67.234%0.33533%0.331SS..Hα-helixtrans-69.3-37.8177.5-65.3-61-73.600111.4F105 D109 L115 Y116F105-M112 HydrophobicContact CD1-CB 4.08Å; D109-M112 HydrophobicContact CB-CB 4.29Å; D109-M112 HydrophobicContact CB-CG 4.11Å; D109-M112 PolarHBondContact O-N 2.68Å; M112-L115 PolarHBondContact O-N 3.23Å; M112-Y116 WeakPolarHBondContact O-CB 3.15Å; M112-Y116 PolarHBondContact O-N 2.91Å
113G94.3Very high93.7Very high0 Ų066.5 Ų66.50%033%0.326CS..Hα-helixtrans-57.6-48.8171.700000112.6D109 I110 Y116 L117D109-G113 PolarHBondContact O-N 2.72Å; I110-G113 PolarHBondContact O-N 3Å; G113-Y116 PolarHBondContact O-N 3Å; G113-L117 VanDerWaalsContact O-CB 3.3Å; G113-L117 WeakPolarHBondContact O-CB 3.3Å; G113-L117 PolarHBondContact O-N 3.47Å
114L96.3Very high93.4Very high90 Ų9068.2 Ų68.247%0.47134%0.335SS..Hα-helixtrans-64.3-41.2177.3-72171.3000112.5F106 I110 R111 L117 T118F106-L114 HydrophobicContact CE1-CD2 4.08Å; F106-L114 HydrophobicContact CE1-CG 4.03Å; F106-L114 HydrophobicContact CZ-CD2 3.9Å; F106-L114 HydrophobicContact CZ-CG 4.16Å; I110-L114 HydrophobicContact CG2-CD1 4.05Å; I110-L114 HydrophobicContact CG2-CG 4.43Å; I110-L114 VanDerWaalsContact O-CG 3.32Å; I110-L114 WeakPolarHBondContact O-CG 3.49Å; I110-L114 PolarHBondContact O-N 3.35Å; R111-L114 PolarHBondContact O-N 3.14Å; L114-L117 PolarHBondContact O-N 3.5Å; L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 PolarHBondContact O-OG1 2.77Å
115L95.7Very high93.1Very high108 Ų10875.6 Ų75.657%0.56537%0.372SS*.Hα-helixtrans-61.9-49.1176.2-177.8148.5000111.1R111 M112 L117 T118 L119R111-L115 WeakPolarHBondContact O-CB 3.29Å; R111-L115 PolarHBondContact O-N 3.4Å; M112-L115 PolarHBondContact O-N 3.23Å; L115-L117 PolarHBondContact O-N 3.21Å; L115-T118 PolarHBondContact O-N 3.25Å; L115-L119 PolarHBondContact O-N 2.94Å
116Y96.8Very high92.8Very high8 Ų880.1 Ų80.13%0.03140%0.4CS..Hα-helixtrans-66.8-37.5-179.8-176.4-97.4000112.1M32 A35 N101 V102 F105 M112 G113 L119 C120M32-Y116 HydrophobicContact CB-CE2 4.46Å; M32-Y116 PolarHBondContact O-OH 2.92Å; A35-Y116 HydrophobicContact CB-CD2 4.49Å; A35-Y116 HydrophobicContact CB-CE2 3.91Å; N101-Y116 HydrophobicContact CB-CD1 4.32Å; N101-Y116 HydrophobicContact CB-CE1 3.51Å; N101-Y116 HydrophobicContact CB-CE2 4.38Å; V102-Y116 HydrophobicContact CB-CD1 4.41Å; V102-Y116 HydrophobicContact CG2-CD1 3.7Å; V102-Y116 HydrophobicContact CG2-CE1 3.74Å; F105-Y116 AromaticContact CD2-CD1 3.84Å; F105-Y116 HydrophobicContact CD2-CD1 3.84Å; F105-Y116 AromaticContact CD2-CD2 3.82Å; F105-Y116 HydrophobicContact CD2-CD2 3.82Å; F105-Y116 HydrophobicContact CD2-CE1 4.45Å; F105-Y116 HydrophobicContact CD2-CE2 4.43Å; F105-Y116 AromaticContact CD2-CG 3.49Å; F105-Y116 HydrophobicContact CD2-CG 3.49Å; F105-Y116 VanDerWaalsContact CD2-CG 3.49Å; F105-Y116 HydrophobicContact CE2-CD1 4.38Å; F105-Y116 AromaticContact CE2-CD2 3.6Å; F105-Y116 HydrophobicContact CE2-CD2 3.6Å; F105-Y116 HydrophobicContact CE2-CE2 4.03Å; F105-Y116 AromaticContact CE2-CG 3.81Å; F105-Y116 HydrophobicContact CE2-CG 3.81Å; F105-Y116 HydrophobicContact CG-CG 4.44Å; M112-Y116 WeakPolarHBondContact O-CB 3.15Å; M112-Y116 PolarHBondContact O-N 2.91Å; G113-Y116 PolarHBondContact O-N 3Å; Y116-L119 WeakPolarHBondContact O-CB 3.26Å; Y116-L119 PolarHBondContact O-N 3.2Å; Y116-C120 WeakPolarHBondContact CE1-SG 3.26Å; Y116-C120 PolarHBondContact O-N 3.16Å; Y116-C120 PolarHBondContact O-SG 2.89Å
117L96.5Very high92.4Very high64 Ų6478.3 Ų78.334%0.33540%0.396SS..Hα-helixtrans-62.4-43.5173.5-179.962.2000111.5V102 F106 G113 L114 L115 L119 C120 I121V102-L117 HydrophobicContact CG1-CD1 4.45Å; V102-L117 HydrophobicContact CG2-CD1 4.34Å; F106-L117 HydrophobicContact CE2-CB 4.34Å; F106-L117 HydrophobicContact CE2-CD2 4.26Å; F106-L117 HydrophobicContact CZ-CD2 4.26Å; G113-L117 VanDerWaalsContact O-CB 3.3Å; G113-L117 WeakPolarHBondContact O-CB 3.3Å; G113-L117 PolarHBondContact O-N 3.47Å; L114-L117 PolarHBondContact O-N 3.5Å; L115-L117 PolarHBondContact O-N 3.21Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.36Å; L117-C120 WeakPolarHBondContact O-CB 3.39Å; L117-C120 PolarHBondContact O-N 2.99Å; L117-I121 HydrophobicContact CG-CD1 4.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.16Å; L117-I121 PolarHBondContact O-N 3.19Å
118T96.2Very high92Very high83 Ų8380 Ų8051%0.50941%0.407SS..Hα-helixtrans-61.7-44.4175.9-56.10000110.7L114 L115 C120 I121 V122L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 PolarHBondContact O-OG1 2.77Å; L115-T118 PolarHBondContact O-N 3.25Å; T118-C120 VanDerWaalsContact C-N 3.3Å; T118-C120 PolarHBondContact O-N 3.39Å; T118-I121 PolarHBondContact O-N 2.88Å; T118-I121 VanDerWaalsContact O-N 3.16Å; T118-V122 WeakPolarHBondContact O-CG2 3.23Å; T118-V122 PolarHBondContact O-N 3.49Å
119L95.6Very high91.6Very high85 Ų8580.9 Ų80.945%0.44541%0.414SS..Hα-helixtrans-59.6-40.7174.8-174.166.5000111.9M32 L115 Y116 L117 V122 F123M32-L119 HydrophobicContact CG-CD2 4.49Å; L115-L119 PolarHBondContact O-N 2.94Å; Y116-L119 WeakPolarHBondContact O-CB 3.26Å; Y116-L119 PolarHBondContact O-N 3.2Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.36Å; L119-V122 PolarHBondContact O-N 2.93Å; L119-F123 VanDerWaalsContact O-CB 3.3Å; L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 2.78Å
120C94.8Very high91.2Very high13 Ų1380 Ų809%0.08841%0.411CS..Hα-helixtrans-60.6-44.1174.3-69.10000112.3M32 Y116 L117 T118 F123 L124M32-C120 HydrophobicContact CE-CB 4.05Å; M32-C120 WeakPolarHBondContact CE-SG 3.37Å; Y116-C120 WeakPolarHBondContact CE1-SG 3.26Å; Y116-C120 PolarHBondContact O-N 3.16Å; Y116-C120 PolarHBondContact O-SG 2.89Å; L117-C120 WeakPolarHBondContact O-CB 3.39Å; L117-C120 PolarHBondContact O-N 2.99Å; T118-C120 VanDerWaalsContact C-N 3.3Å; T118-C120 PolarHBondContact O-N 3.39Å; C120-F123 PolarHBondContact O-N 3.42Å; C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 2.99Å
121I94Very high90.7Very high93 Ų9378.9 Ų78.948%0.47741%0.406SS..Hα-helixtrans-65.6-46178.9-66.6165.9000110.6L117 T118 F123 L124 M125L117-I121 HydrophobicContact CG-CD1 4.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.16Å; L117-I121 PolarHBondContact O-N 3.19Å; T118-I121 PolarHBondContact O-N 2.88Å; T118-I121 VanDerWaalsContact O-N 3.16Å; I121-F123 VanDerWaalsContact C-N 3.33Å; I121-F123 PolarHBondContact O-N 3.32Å; I121-L124 PolarHBondContact O-N 3.16Å; I121-M125 WeakPolarHBondContact O-CG 3.3Å; I121-M125 PolarHBondContact O-N 2.92Å; I121-M125 VanDerWaalsContact O-N 3.14Å
122V94.1Very high90.2Very high75 Ų7572.1 Ų72.146%0.45538%0.381SS..Hα-helixtrans-58.3-47.9176172.70000110T118 L119 L124 M125 T126T118-V122 WeakPolarHBondContact O-CG2 3.23Å; T118-V122 PolarHBondContact O-N 3.49Å; L119-V122 PolarHBondContact O-N 2.93Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.32Å; V122-M125 PolarHBondContact O-N 2.67Å; V122-T126 HydrophobicContact CG1-CG2 4.04Å; V122-T126 WeakPolarHBondContact O-CG2 3.28Å; V122-T126 PolarHBondContact O-N 2.95Å; V122-T126 PolarHBondContact O-OG1 3.42Å
123F92.3Very high89.5Confident13 Ų1376.9 Ų76.96%0.05740%0.404CS..Hα-helixtrans-56.7-44.3177.6178.4-91.2000112.5Y25 A28 S29 M32 L119 C120 I121 M125 T126 C127Y25-F123 HydrophobicContact CD2-CE1 4.06Å; Y25-F123 AromaticContact CD2-CZ 3.55Å; Y25-F123 HydrophobicContact CD2-CZ 3.55Å; Y25-F123 AromaticContact CE2-CE1 3.69Å; Y25-F123 HydrophobicContact CE2-CE1 3.69Å; Y25-F123 AromaticContact CE2-CZ 3.65Å; Y25-F123 HydrophobicContact CE2-CZ 3.65Å; Y25-F123 HydrophobicContact CG-CZ 4.35Å; A28-F123 HydrophobicContact CB-CD2 4.15Å; A28-F123 HydrophobicContact CB-CE2 3.61Å; S29-F123 WeakPolarHBondContact OG-CZ 3.48Å; M32-F123 HydrophobicContact CE-CB 4.23Å; M32-F123 HydrophobicContact CE-CG 4.35Å; M32-F123 HydrophobicContact SD-CB 3.72Å; M32-F123 HydrophobicContact SD-CD1 4.15Å; M32-F123 HydrophobicContact SD-CD2 3.77Å; M32-F123 HydrophobicContact SD-CG 3.57Å; M32-F123 VanDerWaalsContact SD-CG 3.57Å; L119-F123 VanDerWaalsContact O-CB 3.3Å; L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 2.78Å; C120-F123 PolarHBondContact O-N 3.42Å; I121-F123 VanDerWaalsContact C-N 3.33Å; I121-F123 PolarHBondContact O-N 3.32Å; F123-M125 VanDerWaalsContact C-N 3.25Å; F123-M125 PolarHBondContact O-N 2.78Å; F123-T126 PolarHBondContact O-N 3.49Å; F123-C127 HydrophobicContact CD2-CB 3.77Å; F123-C127 HydrophobicContact CE1-CB 4.28Å; F123-C127 HydrophobicContact CE2-CB 3.43Å; F123-C127 VanDerWaalsContact CE2-CB 3.43Å; F123-C127 HydrophobicContact CG-CB 4.32Å; F123-C127 HydrophobicContact CZ-CB 3.71Å; F123-C127 WeakPolarHBondContact O-CA 3.42Å; F123-C127 WeakPolarHBondContact O-CB 3.44Å; F123-C127 PolarHBondContact O-N 3.04Å
124L88.5Confident89Confident127 Ų12778.1 Ų78.167%0.66542%0.418SS*.Hα-helixtrans-61.5-34.5177.5-72.5170.6000112.4C120 I121 V122C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 2.99Å; I121-L124 PolarHBondContact O-N 3.16Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.32Å
125M87.5Confident88.7Confident155 Ų15577.9 Ų77.976%0.76442%0.421SS*.Hα-helixtrans-78.8-40.8178.9-67.2-62-136.800112.7I121 V122 F123I121-M125 WeakPolarHBondContact O-CG 3.3Å; I121-M125 PolarHBondContact O-N 2.92Å; I121-M125 VanDerWaalsContact O-N 3.14Å; V122-M125 PolarHBondContact O-N 2.67Å; F123-M125 VanDerWaalsContact C-N 3.25Å; F123-M125 PolarHBondContact O-N 2.78Å
126T87.2Confident88.6Confident100 Ų10075.4 Ų75.461%0.61341%0.407SS*.Hα-helixtrans-89-32.1-172.858.90000113.4V122 F123V122-T126 HydrophobicContact CG1-CG2 4.04Å; V122-T126 WeakPolarHBondContact O-CG2 3.28Å; V122-T126 PolarHBondContact O-N 2.95Å; V122-T126 PolarHBondContact O-OG1 3.42Å; F123-T126 PolarHBondContact O-N 3.49Å
127C85.8Confident88.4Confident34 Ų3482 Ų8223%0.2343%0.433CS..  trans-117.595.7-171.5-62.20000110.7Y25 F123Y25-C127 HydrophobicContact CD2-CB 4.19Å; Y25-C127 WeakPolarHBondContact CD2-O 3.19Å; F123-C127 HydrophobicContact CD2-CB 3.77Å; F123-C127 HydrophobicContact CE1-CB 4.28Å; F123-C127 HydrophobicContact CE2-CB 3.43Å; F123-C127 VanDerWaalsContact CE2-CB 3.43Å; F123-C127 HydrophobicContact CG-CB 4.32Å; F123-C127 HydrophobicContact CZ-CB 3.71Å; F123-C127 WeakPolarHBondContact O-CA 3.42Å; F123-C127 WeakPolarHBondContact O-CB 3.44Å; F123-C127 PolarHBondContact O-N 3.04Å
128K81.6Confident88.4Confident168 Ų16880 Ų8073%0.7342%0.422SS*.PPolyproline II helixtrans-79.1144.8171.6-72.1178.9178.7158.60110.9
129P81.1Confident88.4Confident40 Ų4079.7 Ų79.726%0.2641%0.413SS..PPolyproline II helixtrans-58.6140.4171.325.9-33.8000109.8Y25Y25-P129 HydrophobicContact CE1-CB 4.07Å; Y25-P129 HydrophobicContact CE2-CB 4.13Å
130P80.4Confident88.3Confident39 Ų3981.3 Ų81.325%0.25342%0.415SS..PPolyproline II helixtrans-66.7142.8178.428.4-33000110.1Y26Y26-P130 HydrophobicContact CD2-CG 4.44Å; Y26-P130 HydrophobicContact CE2-CG 3.52Å
131L80.1Confident88.4Confident92 Ų9281.1 Ų81.148%0.48241%0.412SS..PPolyproline II helixtrans-68.8160168.4-65.2171.6000109.9M133 N165L131-M133 WeakPolarHBondContact O-CG 3.45Å; L131-M133 PolarHBondContact O-N 3.49Å; L131-N165 WeakPolarHBondContact CD2-OD1 3.46Å
132Y83.1Confident88.4Confident59 Ų5978 Ų7823%0.23140%0.399CS..PPolyproline II helixtrans-59.6132171.2-179.4-94.7000109.9G134 A174 A178Y132-G134 VanDerWaalsContact CE1-CA 3.42Å; Y132-G134 VanDerWaalsContact CE1-N 3.29Å; Y132-A174 HydrophobicContact CG-CB 4.29Å; Y132-A178 HydrophobicContact CD1-CB 4.03Å; Y132-A178 HydrophobicContact CE1-CB 3.3Å
133M77.8Confident88.2Confident168 Ų16877.3 Ų77.383%0.82839%0.392SS*.  trans-126.717-176.3-61-66.4-72.600112L131L131-M133 WeakPolarHBondContact O-CG 3.45Å; L131-M133 PolarHBondContact O-N 3.49Å
134G84.1Confident88.2Confident27 Ų2784.3 Ų84.328%0.27842%0.423SS..SBendtrans-75.7176177.400000112.4Y132 E136Y132-G134 VanDerWaalsContact CE1-CA 3.42Å; Y132-G134 VanDerWaalsContact CE1-N 3.29Å; G134-E136 PolarHBondContact O-N 3.28Å
135P89.2Confident88.3Confident84 Ų8481 Ų8155%0.54541%0.408SS..  trans-61.5135.1172.427.2-32.3000109.9L182P135-L182 HydrophobicContact CB-CD1 4.11Å; P135-L182 HydrophobicContact CB-CD2 4.44Å; P135-L182 HydrophobicContact CG-CD1 4Å; P135-L182 WeakPolarHBondContact O-CD1 3.48Å
136E93.8Very high88.6Confident56 Ų5673.6 Ų73.626%0.26237%0.372SS..  trans-148.5150.3175.761.9-179.8-162.600109.9G134 I138 Y140 A178G134-E136 PolarHBondContact O-N 3.28Å; E136-I138 HydrophobicContact CB-CD1 3.96Å; E136-I138 HydrophobicContact CB-CG1 4.14Å; E136-I138 HydrophobicContact CG-CD1 4.46Å; E136-Y140 WeakPolarHBondContact OE1-CE2 3.39Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.28Å; E136-Y140 PolarHBondContact OE1-OH 3.32Å; E136-A178 HydrophobicContact CB-CB 3.89Å
137Y93.6Very high88.8Confident147 Ų14771.3 Ų71.358%0.57636%0.355SS*.  trans-117.171.7172-158.7-81.5000109.4S181 N185Y137-S181 PolarHBondContact N-OG 3.3Å; Y137-N185 HydrophobicContact CD1-CB 3.89Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.49Å; Y137-N185 WeakPolarHBondContact CD1-OD1 3.29Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.32Å; Y137-N185 VanDerWaalsContact CE1-OD1 3.22Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.43Å; Y137-N185 HydrophobicContact CG-CB 4.31Å
138I95.8Very high89.1Confident22 Ų2275.2 Ų75.211%0.11337%0.374CS..EExtended strand (participates in β ladder)trans-127.6132.4-171.5-60.6173.3000109.6E136 Y177 F191 K193E136-I138 HydrophobicContact CB-CD1 3.96Å; E136-I138 HydrophobicContact CB-CG1 4.14Å; E136-I138 HydrophobicContact CG-CD1 4.46Å; I138-Y177 HydrophobicContact CD1-CD1 3.47Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.47Å; I138-Y177 HydrophobicContact CD1-CE1 3.62Å; I138-Y177 HydrophobicContact CG1-CD1 4.45Å; I138-Y177 HydrophobicContact CG1-CE1 4.17Å; I138-Y177 HydrophobicContact CG2-CE1 4.21Å; I138-F191 HydrophobicContact CG1-CB 4.16Å; I138-K193 HydrophobicContact CD1-CD 4.06Å; I138-K193 HydrophobicContact CG2-CB 3.89Å; I138-K193 HydrophobicContact CG2-CD 3.77Å; I138-K193 HydrophobicContact CG2-CG 3.69Å
139K95.4Very high89.7Confident76 Ų7669.2 Ų69.233%0.3335%0.349SS..EExtended strand (participates in β ladder)trans-88.1123.4172.8-173.3166.5-175.8159.70110.9F141 E149 W158 F191 G192 K193K139-F141 HydrophobicContact CD-CE1 3.92Å; K139-F141 HydrophobicContact CD-CZ 4.47Å; K139-F141 HydrophobicContact CG-CD1 4.46Å; K139-F141 HydrophobicContact CG-CE1 4.05Å; K139-F141 HydrophobicContact CG-CZ 4.46Å; K139-E149 IonicContact NZ-OE1 2.68Å; K139-E149 PolarHBondContact NZ-OE1 3.3Å; K139-E149 IonicContact NZ-OE2 3.53Å; K139-E149 PolarHBondContact NZ-OE2 3.04Å; K139-W158 HydrophobicContact CB-CH2 4.12Å; K139-W158 HydrophobicContact CB-CZ3 3.95Å; K139-W158 HydrophobicContact CD-CH2 3.72Å; K139-W158 HydrophobicContact CD-CZ3 4.37Å; K139-W158 HydrophobicContact CG-CH2 4.49Å; K139-F191 PolarHBondContact N-O 3Å; K139-G192 CarbonylContact O-C 3.46Å; K139-G192 WeakPolarHBondContact O-CA 3.48Å; K139-K193 PolarHBondContact O-N 2.94Å
140Y95.2Very high90.2Very high120 Ų12067.5 Ų67.547%0.47134%0.337SS..EExtended strand (participates in β ladder)trans-83.7124.5173.5-71.6-91.7000110.7E136 F163 K193E136-Y140 WeakPolarHBondContact OE1-CE2 3.39Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.28Å; E136-Y140 PolarHBondContact OE1-OH 3.32Å; Y140-F163 HydrophobicContact CE1-CZ 4.49Å; Y140-K193 WeakPolarHBondContact CA-O 3.45Å; Y140-K193 HydrophobicContact CD1-CB 3.94Å; Y140-K193 HydrophobicContact CE1-CB 3.9Å; Y140-K193 HydrophobicContact CE1-CD 4.17Å
141F95.3Very high90.8Very high8 Ų870.3 Ų70.34%0.03535%0.35CS..EExtended strand (participates in β ladder)trans-95.6145.6175.8-59.7-62.3000111.3K139 I146 E149 W158 V160 K193 V194K139-F141 HydrophobicContact CD-CE1 3.92Å; K139-F141 HydrophobicContact CD-CZ 4.47Å; K139-F141 HydrophobicContact CG-CD1 4.46Å; K139-F141 HydrophobicContact CG-CE1 4.05Å; K139-F141 HydrophobicContact CG-CZ 4.46Å; F141-I146 HydrophobicContact CB-CB 4Å; F141-I146 HydrophobicContact CB-CD1 4.47Å; F141-I146 HydrophobicContact CB-CG1 4.22Å; F141-I146 HydrophobicContact CD2-CG1 4.32Å; F141-I146 HydrophobicContact CG-CB 4.3Å; F141-I146 HydrophobicContact CG-CG1 4.16Å; F141-E149 HydrophobicContact CD1-CB 4.19Å; F141-E149 HydrophobicContact CD1-CG 4.49Å; F141-E149 HydrophobicContact CE1-CB 3.58Å; F141-E149 HydrophobicContact CE1-CG 4.15Å; F141-W158 HydrophobicContact CE1-CH2 4.43Å; F141-W158 HydrophobicContact CE1-CZ3 4.45Å; F141-W158 HydrophobicContact CE2-CE3 4.31Å; F141-W158 HydrophobicContact CE2-CZ3 4.38Å; F141-W158 HydrophobicContact CZ-CD2 4.26Å; F141-W158 AromaticContact CZ-CE3 3.75Å; F141-W158 HydrophobicContact CZ-CE3 3.75Å; F141-W158 AromaticContact CZ-CH2 3.98Å; F141-W158 HydrophobicContact CZ-CH2 3.98Å; F141-W158 HydrophobicContact CZ-CZ2 4.42Å; F141-W158 AromaticContact CZ-CZ3 3.61Å; F141-W158 HydrophobicContact CZ-CZ3 3.61Å; F141-V160 HydrophobicContact CD2-CG1 4.04Å; F141-V160 HydrophobicContact CE2-CG1 4.1Å; F141-V160 HydrophobicContact CE2-CG2 3.83Å; F141-K193 PolarHBondContact N-O 3.45Å; F141-V194 HydrophobicContact CB-CB 4.24Å; F141-V194 HydrophobicContact CB-CG2 4.43Å
142S93.8Very high91.4Very high29 Ų2973.6 Ų73.620%0.20336%0.361CS..PPolyproline II helixtrans-99.3170.9165.468.20000109.7K144 T145 I146S142-K144 PolarHBondContact O-N 3.37Å; S142-T145 PolarHBondContact N-OG1 3.38Å; S142-T145 PolarHBondContact O-N 2.89Å; S142-T145 WeakPolarHBondContact OG-CB 3.38Å; S142-T145 VanDerWaalsContact OG-CG2 3.32Å; S142-T145 WeakPolarHBondContact OG-CG2 3.33Å; S142-T145 PolarHBondContact OG-N 3.49Å; S142-T145 VanDerWaalsContact OG-N 3.15Å; S142-T145 PolarHBondContact OG-OG1 3.26Å; S142-I146 PolarHBondContact O-N 2.89Å
143D91.8Very high91.7Very high59 Ų5973.1 Ų73.132%0.31636%0.362SS..THydrogen-bonded Turntrans-54.1-35.2172.662.7-40.4000113.3Y199 V202 R205D143-Y199 HydrophobicContact CB-CD1 3.95Å; D143-Y199 HydrophobicContact CB-CG 4.1Å; D143-V202 HydrophobicContact CB-CG2 3.95Å; D143-R205 PolarHBondContact O-NH2 2.99Å
144K90.8Very high92.3Very high161 Ų16169 Ų6970%0.735%0.35SS*.THydrogen-bonded Turntrans-87-35.2-178.3-61.3179.5-174.8-179.20113.3S142S142-K144 PolarHBondContact O-N 3.37Å
145T91.9Very high92.5Very high57 Ų5775.1 Ų75.135%0.3537%0.365SS..Hα-helixtrans-89.3-14.4-169.857.60000114.4S142 E149S142-T145 PolarHBondContact N-OG1 3.38Å; S142-T145 PolarHBondContact O-N 2.89Å; S142-T145 WeakPolarHBondContact OG-CB 3.38Å; S142-T145 VanDerWaalsContact OG-CG2 3.32Å; S142-T145 WeakPolarHBondContact OG-CG2 3.33Å; S142-T145 PolarHBondContact OG-N 3.49Å; S142-T145 VanDerWaalsContact OG-N 3.15Å; S142-T145 PolarHBondContact OG-OG1 3.26Å; T145-E149 WeakPolarHBondContact O-CB 3.33Å; T145-E149 VanDerWaalsContact O-CG 3.3Å; T145-E149 WeakPolarHBondContact O-CG 3.37Å; T145-E149 PolarHBondContact O-N 2.94Å; T145-E149 VanDerWaalsContact O-N 3.1Å
146I93.4Very high92.7Very high0 Ų071.6 Ų71.60%034%0.341CS..Hα-helixtrans-61.7-49.5-174.4-170.4166.5000112.4F141 S142 E149 L150 F162 V194 V202 Y206F141-I146 HydrophobicContact CB-CB 4Å; F141-I146 HydrophobicContact CB-CD1 4.47Å; F141-I146 HydrophobicContact CB-CG1 4.22Å; F141-I146 HydrophobicContact CD2-CG1 4.32Å; F141-I146 HydrophobicContact CG-CB 4.3Å; F141-I146 HydrophobicContact CG-CG1 4.16Å; S142-I146 PolarHBondContact O-N 2.89Å; I146-E149 PolarHBondContact O-N 2.81Å; I146-L150 HydrophobicContact CD1-CD1 4.48Å; I146-L150 HydrophobicContact CG1-CD1 3.8Å; I146-L150 HydrophobicContact CG1-CG 4.32Å; I146-L150 WeakPolarHBondContact O-CB 3.39Å; I146-L150 WeakPolarHBondContact O-CG 3.39Å; I146-L150 PolarHBondContact O-N 3.01Å; I146-F162 HydrophobicContact CD1-CE1 4.37Å; I146-F162 HydrophobicContact CD1-CZ 4.36Å; I146-V194 HydrophobicContact CD1-CB 4.41Å; I146-V194 HydrophobicContact CD1-CG1 4.21Å; I146-V194 HydrophobicContact CD1-CG2 4.48Å; I146-V202 HydrophobicContact CD1-CG1 4.38Å; I146-Y206 HydrophobicContact CD1-CE2 3.85Å; I146-Y206 HydrophobicContact CG2-CE2 4.39Å
147D90.9Very high92.8Very high51 Ų5169.6 Ų69.627%0.27333%0.333SS..Hα-helixtrans-68.9-42.6-175.4-62.3-55000111.4E149 L150 N151 R205 Y206D147-E149 VanDerWaalsContact C-N 3.33Å; D147-E149 PolarHBondContact O-N 2.84Å; D147-L150 PolarHBondContact O-N 3.3Å; D147-N151 VanDerWaalsContact O-CB 3.32Å; D147-N151 WeakPolarHBondContact O-CB 3.12Å; D147-N151 PolarHBondContact O-N 3.33Å; D147-N151 PolarHBondContact O-ND2 3.23Å; D147-R205 IonicContact OD2-CZ 2.74Å; D147-R205 IonicContact OD2-NH1 3.57Å; D147-R205 PolarHBondContact OD2-NH1 2.89Å; D147-R205 IonicContact OD2-NH2 2.71Å; D147-Y206 PolarHBondContact OD1-OH 3.16Å; D147-Y206 VanDerWaalsContact OD1-OH 3.11Å
148D92.2Very high93Very high117 Ų11763 Ų6363%0.62631%0.307SS*.Hα-helixtrans-60.7-44.4178.7-67.7-17.1000111N151 K152D148-N151 PolarHBondContact O-N 3.39Å; D148-K152 VanDerWaalsContact O-CB 3.28Å; D148-K152 WeakPolarHBondContact O-CB 3.47Å; D148-K152 PolarHBondContact O-N 3.5Å
149E93.2Very high93Very high41 Ų4162 Ų6219%0.19230%0.302CS..Hα-helixtrans-73.5-35.3-178.8-72.9-70172.700113.6K139 F141 T145 I146 D147 N151K139-E149 IonicContact NZ-OE1 2.68Å; K139-E149 PolarHBondContact NZ-OE1 3.3Å; K139-E149 IonicContact NZ-OE2 3.53Å; K139-E149 PolarHBondContact NZ-OE2 3.04Å; F141-E149 HydrophobicContact CD1-CB 4.19Å; F141-E149 HydrophobicContact CD1-CG 4.49Å; F141-E149 HydrophobicContact CE1-CB 3.58Å; F141-E149 HydrophobicContact CE1-CG 4.15Å; T145-E149 WeakPolarHBondContact O-CB 3.33Å; T145-E149 VanDerWaalsContact O-CG 3.3Å; T145-E149 WeakPolarHBondContact O-CG 3.37Å; T145-E149 PolarHBondContact O-N 2.94Å; T145-E149 VanDerWaalsContact O-N 3.1Å; I146-E149 PolarHBondContact O-N 2.81Å; D147-E149 VanDerWaalsContact C-N 3.33Å; D147-E149 PolarHBondContact O-N 2.84Å; E149-N151 VanDerWaalsContact C-N 3.31Å
150L93.1Very high93.1Very high4 Ų458.4 Ų58.42%0.02129%0.286CS..Hα-helixtrans-68.4-32.7174.7-71.4177.5000112I146 D147 W158 V160 F223I146-L150 HydrophobicContact CD1-CD1 4.48Å; I146-L150 HydrophobicContact CG1-CD1 3.8Å; I146-L150 HydrophobicContact CG1-CG 4.32Å; I146-L150 WeakPolarHBondContact O-CB 3.39Å; I146-L150 WeakPolarHBondContact O-CG 3.39Å; I146-L150 PolarHBondContact O-N 3.01Å; D147-L150 PolarHBondContact O-N 3.3Å; L150-W158 HydrophobicContact CD2-CB 3.67Å; L150-W158 HydrophobicContact CD2-CD2 4.29Å; L150-W158 HydrophobicContact CD2-CG 3.64Å; L150-V160 HydrophobicContact CD2-CG2 4.14Å; L150-F223 HydrophobicContact CD1-CD1 4.19Å; L150-F223 HydrophobicContact CD1-CD2 4.33Å; L150-F223 HydrophobicContact CD1-CE1 4.25Å; L150-F223 HydrophobicContact CD1-CE2 4.35Å; L150-F223 HydrophobicContact CD1-CG 4.24Å; L150-F223 HydrophobicContact CD1-CZ 4.32Å; L150-F223 HydrophobicContact CD2-CB 4.13Å; L150-F223 HydrophobicContact CD2-CD2 4.16Å; L150-F223 HydrophobicContact CD2-CG 4.13Å
151N92.4Very high93.3Very high99 Ų9952.7 Ų52.753%0.52926%0.264SS..Hα-helixtrans-93.3-12-178.9-66.9-52.4000114.1D147 D148 E149 D153 G226D147-N151 VanDerWaalsContact O-CB 3.32Å; D147-N151 WeakPolarHBondContact O-CB 3.12Å; D147-N151 PolarHBondContact O-N 3.33Å; D147-N151 PolarHBondContact O-ND2 3.23Å; D148-N151 PolarHBondContact O-N 3.39Å; E149-N151 VanDerWaalsContact C-N 3.31Å; N151-D153 PolarHBondContact O-N 3.22Å; N151-G226 WeakPolarHBondContact OD1-CA 3.29Å
152K92.2Very high93.3Very high161 Ų16152.3 Ų52.370%0.726%0.262SS*.SBendtrans-58.1-42.4-176.4-174.7171.9-175.1169.90114.3D148D148-K152 VanDerWaalsContact O-CB 3.28Å; D148-K152 WeakPolarHBondContact O-CB 3.47Å; D148-K152 PolarHBondContact O-N 3.5Å
153D90.9Very high93.4Very high49 Ų4951.9 Ų51.926%0.26226%0.257SS..  trans-138.4103.3176-169.3-20.3000109.5N151 R155 V156N151-D153 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 VanDerWaalsContact O-N 3.08Å; D153-R155 VanDerWaalsContact OD1-CB 3.28Å; D153-R155 WeakPolarHBondContact OD1-CB 3.49Å; D153-R155 WeakPolarHBondContact OD1-CG 3.32Å; D153-R155 IonicContact OD1-CZ 3.74Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-R155 IonicContact OD1-NE 3.87Å; D153-R155 PolarHBondContact OD1-NE 3.02Å; D153-R155 IonicContact OD1-NH2 3.52Å; D153-R155 PolarHBondContact OD1-NH2 2.96Å; D153-R155 IonicContact OD2-CZ 3.43Å; D153-R155 IonicContact OD2-NE 2.78Å; D153-R155 PolarHBondContact OD2-NE 3.37Å; D153-R155 IonicContact OD2-NH2 3.82Å; D153-R155 PolarHBondContact OD2-NH2 3.41Å; D153-V156 HydrophobicContact CB-CB 4.48Å; D153-V156 HydrophobicContact CB-CG2 3.84Å; D153-V156 PolarHBondContact O-N 2.95Å
154S88.8Confident93.5Very high81 Ų8149 Ų4957%0.56624%0.242SC*.THydrogen-bonded Turntrans-63.4-14.7-177.958.20000114G225S154-G225 VanDerWaalsContact O-CA 3.31Å; S154-G225 WeakPolarHBondContact O-CA 3.3Å; S154-G225 PolarHBondContact O-N 3.48Å
155R88.9Confident93.5Very high156 Ų15644.4 Ų44.459%0.58922%0.224SC*.THydrogen-bonded Turntrans-82.2-20.4176.7-55.2169.2-64.6-162.6-0.7112.3D153D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 VanDerWaalsContact O-N 3.08Å; D153-R155 VanDerWaalsContact OD1-CB 3.28Å; D153-R155 WeakPolarHBondContact OD1-CB 3.49Å; D153-R155 WeakPolarHBondContact OD1-CG 3.32Å; D153-R155 IonicContact OD1-CZ 3.74Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-R155 IonicContact OD1-NE 3.87Å; D153-R155 PolarHBondContact OD1-NE 3.02Å; D153-R155 IonicContact OD1-NH2 3.52Å; D153-R155 PolarHBondContact OD1-NH2 2.96Å; D153-R155 IonicContact OD2-CZ 3.43Å; D153-R155 IonicContact OD2-NE 2.78Å; D153-R155 PolarHBondContact OD2-NE 3.37Å; D153-R155 IonicContact OD2-NH2 3.82Å; D153-R155 PolarHBondContact OD2-NH2 3.41Å
156V93.3Very high93.2Very high9 Ų947.2 Ų47.26%0.05523%0.229CC..  trans-81.4125.2179.9-179.90000108.8D153 K190D153-V156 HydrophobicContact CB-CB 4.48Å; D153-V156 HydrophobicContact CB-CG2 3.84Å; D153-V156 PolarHBondContact O-N 2.95Å; V156-K190 HydrophobicContact CG1-CB 4.29Å; V156-K190 HydrophobicContact CG1-CD 3.86Å; V156-K190 HydrophobicContact CG1-CG 3.87Å
157T95.7Very high93Very high14 Ų1447.3 Ų47.39%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-85.3131.4169.9-59.70000108.8G188 L189 K190 L222 F223 Q224 L260T157-G188 PolarHBondContact N-O 2.78Å; T157-L189 HydrophobicContact CG2-CD1 3.77Å; T157-L189 WeakPolarHBondContact O-CA 3.21Å; T157-K190 PolarHBondContact O-N 3.43Å; T157-L222 HydrophobicContact CG2-CD1 3.46Å; T157-L222 VanDerWaalsContact CG2-CD1 3.46Å; T157-L222 HydrophobicContact CG2-CG 4.36Å; T157-F223 WeakPolarHBondContact CA-O 3.43Å; T157-Q224 HydrophobicContact CG2-CG 3.79Å; T157-L260 HydrophobicContact CG2-CD1 4.34Å
158W97.1Very high92.8Very high9 Ų948.6 Ų48.63%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-114.7135.1177.7-74.295.9000110.5K139 F141 L150 V160 K190 F223K139-W158 HydrophobicContact CB-CH2 4.12Å; K139-W158 HydrophobicContact CB-CZ3 3.95Å; K139-W158 HydrophobicContact CD-CH2 3.72Å; K139-W158 HydrophobicContact CD-CZ3 4.37Å; K139-W158 HydrophobicContact CG-CH2 4.49Å; F141-W158 HydrophobicContact CE1-CH2 4.43Å; F141-W158 HydrophobicContact CE1-CZ3 4.45Å; F141-W158 HydrophobicContact CE2-CE3 4.31Å; F141-W158 HydrophobicContact CE2-CZ3 4.38Å; F141-W158 HydrophobicContact CZ-CD2 4.26Å; F141-W158 AromaticContact CZ-CE3 3.75Å; F141-W158 HydrophobicContact CZ-CE3 3.75Å; F141-W158 AromaticContact CZ-CH2 3.98Å; F141-W158 HydrophobicContact CZ-CH2 3.98Å; F141-W158 HydrophobicContact CZ-CZ2 4.42Å; F141-W158 AromaticContact CZ-CZ3 3.61Å; F141-W158 HydrophobicContact CZ-CZ3 3.61Å; L150-W158 HydrophobicContact CD2-CB 3.67Å; L150-W158 HydrophobicContact CD2-CD2 4.29Å; L150-W158 HydrophobicContact CD2-CG 3.64Å; W158-V160 HydrophobicContact CB-CG2 4.15Å; W158-K190 WeakPolarHBondContact CA-O 3.49Å; W158-K190 HydrophobicContact CD2-CB 3.86Å; W158-K190 HydrophobicContact CE3-CB 3.46Å; W158-K190 VanDerWaalsContact CE3-CB 3.46Å; W158-K190 HydrophobicContact CH2-CB 3.74Å; W158-K190 HydrophobicContact CH2-CD 3.49Å; W158-K190 VanDerWaalsContact CH2-CD 3.49Å; W158-K190 HydrophobicContact CH2-CG 4.27Å; W158-K190 HydrophobicContact CZ2-CB 4.14Å; W158-K190 HydrophobicContact CZ2-CD 3.56Å; W158-K190 HydrophobicContact CZ2-CG 4.47Å; W158-K190 HydrophobicContact CZ3-CB 3.38Å; W158-K190 HydrophobicContact CZ3-CD 4.08Å; W158-K190 HydrophobicContact CZ3-CG 4.38Å; W158-F223 HydrophobicContact CB-CB 4.21Å; W158-F223 PolarHBondContact N-O 2.65Å; W158-F223 PolarHBondContact O-N 3.32Å
159I97.5Very high92.6Very high1 Ų147.9 Ų47.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-108.2118.4164.6-60.9175.4000105.9Y177 L189 K190 F191 G192 L220 L222 L257I159-Y177 HydrophobicContact CG2-CE2 4.05Å; I159-Y177 PolarHBondContact O-OH 2.94Å; I159-L189 HydrophobicContact CD1-CD1 4.08Å; I159-L189 HydrophobicContact CG1-CD1 4.19Å; I159-K190 PolarHBondContact N-O 3.37Å; I159-F191 HydrophobicContact CB-CD1 4.23Å; I159-F191 HydrophobicContact CB-CE1 4.28Å; I159-F191 HydrophobicContact CD1-CE1 3.98Å; I159-F191 HydrophobicContact CD1-CZ 3.99Å; I159-F191 HydrophobicContact CG2-CD1 4.47Å; I159-F191 HydrophobicContact CG2-CE1 4.43Å; I159-F191 CarbonylContact O-C 3.55Å; I159-F191 WeakPolarHBondContact O-CA 3.41Å; I159-G192 PolarHBondContact O-N 3.46Å; I159-L220 HydrophobicContact CG2-CD2 4.18Å; I159-L222 HydrophobicContact CD1-CD1 4.31Å; I159-L222 HydrophobicContact CG1-CD1 3.6Å; I159-L257 HydrophobicContact CD1-CD2 3.2Å
160V97.7Very high92.6Very high0 Ų046.2 Ų46.20%023%0.226CC..EExtended strand (participates in β ladder)trans-116.7124.5-176.5-1730000109.9F141 L150 W158 F162 G192 V194 V221 F223F141-V160 HydrophobicContact CD2-CG1 4.04Å; F141-V160 HydrophobicContact CE2-CG1 4.1Å; F141-V160 HydrophobicContact CE2-CG2 3.83Å; L150-V160 HydrophobicContact CD2-CG2 4.14Å; W158-V160 HydrophobicContact CB-CG2 4.15Å; V160-F162 HydrophobicContact CB-CE2 4.14Å; V160-F162 HydrophobicContact CG1-CD2 4.37Å; V160-F162 HydrophobicContact CG1-CE2 3.98Å; V160-F162 HydrophobicContact CG1-CZ 4.35Å; V160-G192 CarbonylContact C-O 3.58Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.37Å; V160-V194 HydrophobicContact CG1-CG1 4.13Å; V160-V221 PolarHBondContact N-O 3.4Å; V160-V221 PolarHBondContact O-N 3.42Å; V160-F223 HydrophobicContact CB-CD2 4.25Å; V160-F223 HydrophobicContact CB-CE2 3.97Å; V160-F223 HydrophobicContact CG2-CD2 3.78Å; V160-F223 HydrophobicContact CG2-CE2 3.92Å
161E97.7Very high92.3Very high1 Ų148.3 Ų48.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-89.3117.4169.8-174.7-161.6175.100109.9F163 F173 Y177 G192 K193 V194 P218 L220E161-F163 HydrophobicContact CG-CB 4.22Å; E161-F173 HydrophobicContact CG-CD1 4.37Å; E161-F173 HydrophobicContact CG-CE1 4.1Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.45Å; E161-Y177 HydrophobicContact CB-CD1 4.25Å; E161-Y177 HydrophobicContact CB-CE1 3.89Å; E161-Y177 HydrophobicContact CB-CE2 4.29Å; E161-Y177 VanDerWaalsContact OE2-CD1 3.31Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.49Å; E161-G192 PolarHBondContact N-O 3.38Å; E161-K193 HydrophobicContact CB-CG 3.98Å; E161-K193 WeakPolarHBondContact O-CA 3.39Å; E161-K193 WeakPolarHBondContact OE2-CD 3.28Å; E161-K193 WeakPolarHBondContact OE2-CE 3.47Å; E161-K193 WeakPolarHBondContact OE2-CG 3.25Å; E161-K193 IonicContact OE2-NZ 3.48Å; E161-V194 PolarHBondContact O-N 3.31Å; E161-P218 HydrophobicContact CG-CB 4.31Å; E161-L220 HydrophobicContact CB-CD2 3.87Å; E161-L220 HydrophobicContact CG-CD2 4.25Å
162F97.1Very high92.1Very high0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-88.9112.6167-64.4-101.5000107.7I146 V160 V194 I196 V202 Y206 V208 L217 S219 V221 F223I146-F162 HydrophobicContact CD1-CE1 4.37Å; I146-F162 HydrophobicContact CD1-CZ 4.36Å; V160-F162 HydrophobicContact CB-CE2 4.14Å; V160-F162 HydrophobicContact CG1-CD2 4.37Å; V160-F162 HydrophobicContact CG1-CE2 3.98Å; V160-F162 HydrophobicContact CG1-CZ 4.35Å; F162-V194 HydrophobicContact CB-CG1 4.36Å; F162-V194 HydrophobicContact CD1-CG1 3.33Å; F162-V194 HydrophobicContact CD2-CG1 4.45Å; F162-V194 HydrophobicContact CE1-CG1 3.58Å; F162-V194 HydrophobicContact CG-CG1 3.82Å; F162-V194 HydrophobicContact CZ-CG1 4.24Å; F162-I196 HydrophobicContact CB-CD1 4.15Å; F162-I196 HydrophobicContact CB-CG1 4.48Å; F162-I196 HydrophobicContact CB-CG2 4.36Å; F162-I196 HydrophobicContact CD1-CG2 3.67Å; F162-V202 HydrophobicContact CD1-CG1 4.28Å; F162-V202 HydrophobicContact CE1-CG1 3.86Å; F162-Y206 HydrophobicContact CE1-CD1 4.18Å; F162-Y206 AromaticContact CE1-CD2 3.59Å; F162-Y206 HydrophobicContact CE1-CD2 3.59Å; F162-Y206 HydrophobicContact CE1-CE2 4.2Å; F162-Y206 AromaticContact CE1-CG 3.55Å; F162-Y206 HydrophobicContact CE1-CG 3.55Å; F162-Y206 AromaticContact CZ-CD1 3.75Å; F162-Y206 HydrophobicContact CZ-CD1 3.75Å; F162-Y206 AromaticContact CZ-CD2 3.96Å; F162-Y206 HydrophobicContact CZ-CD2 3.96Å; F162-Y206 HydrophobicContact CZ-CE1 4.18Å; F162-Y206 HydrophobicContact CZ-CE2 4.36Å; F162-Y206 AromaticContact CZ-CG 3.61Å; F162-Y206 HydrophobicContact CZ-CG 3.61Å; F162-V208 HydrophobicContact CB-CG1 4.32Å; F162-V208 HydrophobicContact CB-CG2 4.42Å; F162-V208 HydrophobicContact CD1-CG2 4.31Å; F162-V208 HydrophobicContact CG-CG2 4.23Å; F162-L217 WeakPolarHBondContact O-CD2 3.49Å; F162-S219 PolarHBondContact N-O 3.44Å; F162-S219 PolarHBondContact O-N 2.9Å; F162-V221 HydrophobicContact CD2-CB 4.33Å; F162-V221 HydrophobicContact CD2-CG2 3.66Å; F162-V221 HydrophobicContact CE2-CB 3.83Å; F162-V221 HydrophobicContact CE2-CG2 3.5Å; F162-F223 HydrophobicContact CE2-CE2 4.1Å; F162-F223 HydrophobicContact CE2-CZ 4.29Å; F162-F223 HydrophobicContact CZ-CE2 4.32Å; F162-F223 HydrophobicContact CZ-CZ 4.19Å
163F95.6Very high92.1Very high19 Ų1937.1 Ų37.18%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-130.1166.7-172.978.7-78.1000111.7Y140 E161 N165 C170 K193 V194 D195 I196Y140-F163 HydrophobicContact CE1-CZ 4.49Å; E161-F163 HydrophobicContact CG-CB 4.22Å; F163-N165 WeakPolarHBondContact CE2-OD1 3.38Å; F163-C170 HydrophobicContact CB-CB 4.13Å; F163-K193 HydrophobicContact CD1-CB 4.15Å; F163-K193 HydrophobicContact CD1-CG 4.32Å; F163-K193 HydrophobicContact CE1-CB 3.8Å; F163-K193 HydrophobicContact CE1-CG 4.34Å; F163-V194 WeakPolarHBondContact CD1-O 3.43Å; F163-V194 VanDerWaalsContact CE1-C 3.41Å; F163-V194 PolarHBondContact N-O 3.42Å; F163-D195 HydrophobicContact CE1-CB 4.01Å; F163-D195 HydrophobicContact CE2-CB 4.26Å; F163-D195 HydrophobicContact CZ-CB 3.77Å; F163-D195 CarbonylContact O-C 3.6Å; F163-D195 WeakPolarHBondContact O-CA 3.48Å; F163-I196 WeakPolarHBondContact O-CG1 3.42Å; F163-I196 PolarHBondContact O-N 3.25Å
164A93.9Very high92.1Very high0 Ų035 Ų350%018%0.175CC..  trans-136.2135.8168.500000110.2W166 S167 L217A164-W166 HydrophobicContact CB-CD2 4.24Å; A164-W166 HydrophobicContact CB-CG 4.47Å; A164-W166 HydrophobicContact CB-CZ2 3.77Å; A164-W166 PolarHBondContact O-N 3.49Å; A164-W166 VanDerWaalsContact O-N 3.14Å; A164-S167 PolarHBondContact O-N 3.19Å; A164-L217 HydrophobicContact CB-CD1 3.7Å
165N89.1Confident92.2Very high63 Ų6331.9 Ų31.934%0.33715%0.152SC..THydrogen-bonded Turntrans-61.4-25-174.5-79.9-40.7000114.5L131 F163 Q171 D195L131-N165 WeakPolarHBondContact CD2-OD1 3.46Å; F163-N165 WeakPolarHBondContact CE2-OD1 3.38Å; N165-Q171 PolarHBondContact O-NE2 3.27Å; N165-D195 PolarHBondContact ND2-OD2 2.97Å
166W86.3Confident92.4Very high117 Ų11725.2 Ų25.244%0.44313%0.129SC..THydrogen-bonded Turntrans-84.3-12.8178.656-102.4000113.4A164 P168 T210 P212 L217A164-W166 HydrophobicContact CB-CD2 4.24Å; A164-W166 HydrophobicContact CB-CG 4.47Å; A164-W166 HydrophobicContact CB-CZ2 3.77Å; A164-W166 PolarHBondContact O-N 3.49Å; A164-W166 VanDerWaalsContact O-N 3.14Å; W166-P168 WeakPolarHBondContact O-CD 3.11Å; W166-T210 WeakPolarHBondContact CH2-O 2.98Å; W166-T210 WeakPolarHBondContact CZ2-O 3.29Å; W166-P212 HydrophobicContact CH2-CG 3.99Å; W166-P212 HydrophobicContact CZ3-CB 4.16Å; W166-P212 HydrophobicContact CZ3-CG 3.79Å; W166-L217 HydrophobicContact CH2-CD1 3.57Å; W166-L217 HydrophobicContact CZ2-CD1 3.6Å
167S90Very high92.5Very high1 Ų124.9 Ų24.91%0.00713%0.127CC..  trans-80.7120-179166.50000110.2A164 E169 C170 Q171A164-S167 PolarHBondContact O-N 3.19Å; S167-E169 VanDerWaalsContact C-N 3.27Å; S167-E169 PolarHBondContact O-N 3Å; S167-E169 PolarHBondContact OG-N 3.43Å; S167-E169 PolarHBondContact OG-OE2 3.02Å; S167-C170 PolarHBondContact O-N 2.86Å; S167-C170 PolarHBondContact OG-N 3.46Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 3.05Å
168P86.3Confident92.5Very high78 Ų7824.2 Ų24.251%0.50612%0.123SC..Hα-helixtrans-66-30.817626.4-32.9000112W166 Q171 S172W166-P168 WeakPolarHBondContact O-CD 3.11Å; P168-Q171 PolarHBondContact O-N 3.29Å; P168-S172 PolarHBondContact O-N 3.08Å; P168-S172 PolarHBondContact O-OG 3.45Å
169E88.1Confident92.3Very high103 Ų10327.6 Ų27.648%0.48114%0.142SC..Hα-helixtrans-61.8-45.3175.2-61.177.8-169.700111S167 Q171 S172 F173S167-E169 VanDerWaalsContact C-N 3.27Å; S167-E169 PolarHBondContact O-N 3Å; S167-E169 PolarHBondContact OG-N 3.43Å; S167-E169 PolarHBondContact OG-OE2 3.02Å; E169-Q171 PolarHBondContact O-N 2.95Å; E169-S172 PolarHBondContact O-N 3.37Å; E169-S172 PolarHBondContact O-OG 2.93Å; E169-F173 WeakPolarHBondContact O-CB 3.16Å; E169-F173 PolarHBondContact O-N 3.24Å
170C91.9Very high92.2Very high5 Ų527.6 Ų27.63%0.03414%0.141CC..Hα-helixtrans-60.6-44174.4-68.90000112.2F163 S167 S172 F173 A174F163-C170 HydrophobicContact CB-CB 4.13Å; S167-C170 PolarHBondContact O-N 2.86Å; S167-C170 PolarHBondContact OG-N 3.46Å; C170-S172 VanDerWaalsContact C-N 3.32Å; C170-S172 PolarHBondContact O-N 3.46Å; C170-F173 PolarHBondContact O-N 2.89Å; C170-A174 PolarHBondContact O-N 3.42Å
171Q88.4Confident92.2Very high48 Ų4827.6 Ų27.622%0.22414%0.141CC..Hα-helixtrans-62-42.1178.2-67.3171.521.300111.5N165 S167 P168 E169 F173 A174N165-Q171 PolarHBondContact O-NE2 3.27Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 3.05Å; P168-Q171 PolarHBondContact O-N 3.29Å; E169-Q171 PolarHBondContact O-N 2.95Å; Q171-F173 VanDerWaalsContact C-N 3.29Å; Q171-F173 PolarHBondContact O-N 3.24Å; Q171-A174 PolarHBondContact O-N 3.4Å
172S87.5Confident92.1Very high20 Ų2031.5 Ų31.514%0.1416%0.162CC..Hα-helixtrans-66.9-30.6176.870.30000113.2T85 P168 E169 C170T85-S172 WeakPolarHBondContact CG2-O 3.31Å; T85-S172 PolarHBondContact OG1-O 3.42Å; P168-S172 PolarHBondContact O-N 3.08Å; P168-S172 PolarHBondContact O-OG 3.45Å; E169-S172 PolarHBondContact O-N 3.37Å; E169-S172 PolarHBondContact O-OG 2.93Å; C170-S172 VanDerWaalsContact C-N 3.32Å; C170-S172 PolarHBondContact O-N 3.46Å
173F91.8Very high92Very high5 Ų536.5 Ų36.52%0.02218%0.184CC..Hα-helixtrans-82-21.1-178.8177.7-120.8000113.3E161 E169 C170 Q171 S175 V176 Y177 P218 L220 F246 I251E161-F173 HydrophobicContact CG-CD1 4.37Å; E161-F173 HydrophobicContact CG-CE1 4.1Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.45Å; E169-F173 WeakPolarHBondContact O-CB 3.16Å; E169-F173 PolarHBondContact O-N 3.24Å; C170-F173 PolarHBondContact O-N 2.89Å; Q171-F173 VanDerWaalsContact C-N 3.29Å; Q171-F173 PolarHBondContact O-N 3.24Å; F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.39Å; F173-V176 HydrophobicContact CD2-CB 4.02Å; F173-V176 HydrophobicContact CD2-CG1 4.39Å; F173-V176 HydrophobicContact CE2-CB 3.98Å; F173-V176 HydrophobicContact CE2-CG1 3.95Å; F173-V176 PolarHBondContact O-N 2.99Å; F173-V176 VanDerWaalsContact O-N 3.15Å; F173-Y177 AromaticContact CE1-CD2 3.91Å; F173-Y177 HydrophobicContact CE1-CD2 3.91Å; F173-Y177 AromaticContact CE1-CG 3.95Å; F173-Y177 HydrophobicContact CE1-CG 3.95Å; F173-Y177 AromaticContact CZ-CD2 3.74Å; F173-Y177 HydrophobicContact CZ-CD2 3.74Å; F173-Y177 HydrophobicContact CZ-CG 4.03Å; F173-Y177 PolarHBondContact O-N 3.35Å; F173-P218 HydrophobicContact CB-CG 4.05Å; F173-P218 HydrophobicContact CD1-CB 3.94Å; F173-P218 HydrophobicContact CD1-CG 3.71Å; F173-P218 HydrophobicContact CG-CG 4.01Å; F173-L220 HydrophobicContact CE1-CD1 4.06Å; F173-L220 HydrophobicContact CE1-CD2 3.93Å; F173-L220 HydrophobicContact CE1-CG 4.05Å; F173-L220 HydrophobicContact CZ-CD1 3.64Å; F173-L220 HydrophobicContact CZ-CD2 4.14Å; F173-L220 HydrophobicContact CZ-CG 4.15Å; F173-F246 HydrophobicContact CD1-CD1 4.35Å; F173-F246 HydrophobicContact CD2-CB 3.65Å; F173-F246 HydrophobicContact CD2-CD1 4.05Å; F173-F246 HydrophobicContact CD2-CG 4.21Å; F173-F246 HydrophobicContact CE1-CD1 4.23Å; F173-F246 HydrophobicContact CE2-CB 4.03Å; F173-F246 AromaticContact CE2-CD1 3.96Å; F173-F246 HydrophobicContact CE2-CD1 3.96Å; F173-F246 HydrophobicContact CE2-CG 4.47Å; F173-F246 HydrophobicContact CG-CB 4.3Å; F173-F246 HydrophobicContact CG-CD1 4.27Å; F173-F246 HydrophobicContact CZ-CD1 4.06Å; F173-I251 HydrophobicContact CE2-CD1 3.35Å; F173-I251 HydrophobicContact CZ-CD1 3.71Å
174A91.8Very high92Very high6 Ų636 Ų365%0.0518%0.182CC..Hα-helixtrans-56.3-38.8-173.200000113.7Y132 C170 Q171 Y177 A178Y132-A174 HydrophobicContact CG-CB 4.29Å; C170-A174 PolarHBondContact O-N 3.42Å; Q171-A174 PolarHBondContact O-N 3.4Å; A174-Y177 PolarHBondContact O-N 2.94Å; A174-A178 WeakPolarHBondContact O-CB 3.31Å; A174-A178 PolarHBondContact O-N 3.07Å
175S90.4Very high92Very high14 Ų1437.7 Ų37.710%0.09819%0.19CC..Hα-helixtrans-65.8-47.3177.949.50000112.3F173 Y177 A178 D179F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.39Å; S175-Y177 VanDerWaalsContact C-N 3.3Å; S175-Y177 PolarHBondContact O-N 2.91Å; S175-A178 PolarHBondContact O-N 3.33Å; S175-D179 PolarHBondContact O-N 3.31Å
176V93.2Very high92.1Very high17 Ų1735.7 Ų35.710%0.10318%0.181CC..Hα-helixtrans-58.8-43.4176.2-179.90000111.1T85 F173 D179 L180 E248 I251T85-V176 HydrophobicContact CG2-CG2 3.89Å; F173-V176 HydrophobicContact CD2-CB 4.02Å; F173-V176 HydrophobicContact CD2-CG1 4.39Å; F173-V176 HydrophobicContact CE2-CB 3.98Å; F173-V176 HydrophobicContact CE2-CG1 3.95Å; F173-V176 PolarHBondContact O-N 2.99Å; F173-V176 VanDerWaalsContact O-N 3.15Å; V176-D179 PolarHBondContact O-N 3Å; V176-L180 HydrophobicContact CG1-CD1 4.31Å; V176-L180 WeakPolarHBondContact O-CG 3.28Å; V176-L180 PolarHBondContact O-N 3.48Å; V176-L180 VanDerWaalsContact O-N 3.08Å; V176-E248 HydrophobicContact CG1-CB 4.18Å; V176-I251 HydrophobicContact CG1-CD1 4.19Å
177Y95.9Very high92.3Very high1 Ų133.3 Ų33.30%0.00418%0.182CC..Hα-helixtrans-68.6-38.5180-167.9-113.7000112.7I138 I159 E161 F173 A174 S175 L180 S181 F191 G192 K193 L220I138-Y177 HydrophobicContact CD1-CD1 3.47Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.47Å; I138-Y177 HydrophobicContact CD1-CE1 3.62Å; I138-Y177 HydrophobicContact CG1-CD1 4.45Å; I138-Y177 HydrophobicContact CG1-CE1 4.17Å; I138-Y177 HydrophobicContact CG2-CE1 4.21Å; I159-Y177 HydrophobicContact CG2-CE2 4.05Å; I159-Y177 PolarHBondContact O-OH 2.94Å; E161-Y177 HydrophobicContact CB-CD1 4.25Å; E161-Y177 HydrophobicContact CB-CE1 3.89Å; E161-Y177 HydrophobicContact CB-CE2 4.29Å; E161-Y177 VanDerWaalsContact OE2-CD1 3.31Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.49Å; F173-Y177 AromaticContact CE1-CD2 3.91Å; F173-Y177 HydrophobicContact CE1-CD2 3.91Å; F173-Y177 AromaticContact CE1-CG 3.95Å; F173-Y177 HydrophobicContact CE1-CG 3.95Å; F173-Y177 AromaticContact CZ-CD2 3.74Å; F173-Y177 HydrophobicContact CZ-CD2 3.74Å; F173-Y177 HydrophobicContact CZ-CG 4.03Å; F173-Y177 PolarHBondContact O-N 3.35Å; A174-Y177 PolarHBondContact O-N 2.94Å; S175-Y177 VanDerWaalsContact C-N 3.3Å; S175-Y177 PolarHBondContact O-N 2.91Å; Y177-L180 PolarHBondContact O-N 2.86Å; Y177-S181 PolarHBondContact O-N 3.45Å; Y177-F191 HydrophobicContact CD2-CD1 4.39Å; Y177-F191 HydrophobicContact CE1-CD1 4.47Å; Y177-F191 AromaticContact CE2-CD1 3.63Å; Y177-F191 HydrophobicContact CE2-CD1 3.63Å; Y177-F191 HydrophobicContact CE2-CE1 4.17Å; Y177-F191 AromaticContact CZ-CD1 3.68Å; Y177-G192 PolarHBondContact OH-N 3.18Å; Y177-G192 PolarHBondContact OH-O 3.2Å; Y177-K193 HydrophobicContact CD1-CD 4.04Å; Y177-K193 HydrophobicContact CD1-CG 4.24Å; Y177-K193 HydrophobicContact CE1-CD 4.07Å; Y177-K193 HydrophobicContact CE1-CG 3.82Å; Y177-L220 HydrophobicContact CD2-CD2 3.8Å; Y177-L220 HydrophobicContact CE2-CD2 3.47Å; Y177-L220 VanDerWaalsContact CE2-CD2 3.47Å
178A94.4Very high92.3Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-61.2-47.2173.700000111.6Y132 E136 A174 S175 L180 S181 L182Y132-A178 HydrophobicContact CD1-CB 4.03Å; Y132-A178 HydrophobicContact CE1-CB 3.3Å; E136-A178 HydrophobicContact CB-CB 3.89Å; A174-A178 WeakPolarHBondContact O-CB 3.31Å; A174-A178 PolarHBondContact O-N 3.07Å; S175-A178 PolarHBondContact O-N 3.33Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.42Å; A178-S181 WeakPolarHBondContact O-CB 3.46Å; A178-S181 PolarHBondContact O-N 2.87Å; A178-S181 VanDerWaalsContact O-N 3.07Å; A178-S181 PolarHBondContact O-OG 3.41Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 2.87Å
179D93.8Very high92.7Very high81 Ų8130 Ų3043%0.43316%0.163SC..Hα-helixtrans-61.9-42.1179-69.2-21.3000111.9S175 V176 S181 L182 K183S175-D179 PolarHBondContact O-N 3.31Å; V176-D179 PolarHBondContact O-N 3Å; D179-S181 VanDerWaalsContact C-N 3.32Å; D179-S181 PolarHBondContact O-N 3.39Å; D179-L182 PolarHBondContact O-N 3.35Å; D179-K183 WeakPolarHBondContact O-CB 3.44Å; D179-K183 PolarHBondContact O-N 3.25Å
180L95.9Very high93.1Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-60.3-41.6173-74.7173.2000112V176 Y177 A178 L182 K183 Y184 F191 E248 I251 I252 L257V176-L180 HydrophobicContact CG1-CD1 4.31Å; V176-L180 WeakPolarHBondContact O-CG 3.28Å; V176-L180 PolarHBondContact O-N 3.48Å; V176-L180 VanDerWaalsContact O-N 3.08Å; Y177-L180 PolarHBondContact O-N 2.86Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.42Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.04Å; L180-K183 PolarHBondContact O-N 2.99Å; L180-Y184 HydrophobicContact CD2-CD2 3.99Å; L180-Y184 HydrophobicContact CD2-CE2 3.88Å; L180-Y184 WeakPolarHBondContact O-CB 3.45Å; L180-Y184 PolarHBondContact O-N 3.02Å; L180-F191 HydrophobicContact CB-CE1 4.12Å; L180-E248 HydrophobicContact CD2-CG 3.58Å; L180-E248 HydrophobicContact CG-CG 4.09Å; L180-I251 HydrophobicContact CD1-CB 3.97Å; L180-I251 HydrophobicContact CD1-CD1 3.77Å; L180-I251 HydrophobicContact CD1-CG1 4.47Å; L180-I251 HydrophobicContact CD1-CG2 3.63Å; L180-I252 HydrophobicContact CD2-CD1 4.13Å; L180-I252 HydrophobicContact CD2-CG1 3.84Å; L180-L257 HydrophobicContact CD2-CD1 3.9Å
181S96.6Very high93.4Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-62.2-42.417881.90000111.6Y137 Y177 A178 D179 K183 N185Y137-S181 PolarHBondContact N-OG 3.3Å; Y177-S181 PolarHBondContact O-N 3.45Å; A178-S181 WeakPolarHBondContact O-CB 3.46Å; A178-S181 PolarHBondContact O-N 2.87Å; A178-S181 VanDerWaalsContact O-N 3.07Å; A178-S181 PolarHBondContact O-OG 3.41Å; D179-S181 VanDerWaalsContact C-N 3.32Å; D179-S181 PolarHBondContact O-N 3.39Å; S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.3Å; S181-N185 WeakPolarHBondContact O-CB 3.22Å; S181-N185 PolarHBondContact O-N 3.44Å
182L95.3Very high93.8Very high83 Ų8326.2 Ų26.244%0.43514%0.143SC..Hα-helixtrans-66-37.8178.8-67.2174.7000112P135 A178 D179 L180P135-L182 HydrophobicContact CB-CD1 4.11Å; P135-L182 HydrophobicContact CB-CD2 4.44Å; P135-L182 HydrophobicContact CG-CD1 4Å; P135-L182 WeakPolarHBondContact O-CD1 3.48Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 2.87Å; D179-L182 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.04Å
183K95.1Very high94.2Very high106 Ų10625.8 Ų25.846%0.46114%0.139SC..Hα-helixtrans-77-40.4-176.5-175.1170.6170.9-179.20113.4D179 L180 S181 E248D179-K183 WeakPolarHBondContact O-CB 3.44Å; D179-K183 PolarHBondContact O-N 3.25Å; L180-K183 PolarHBondContact O-N 2.99Å; S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.3Å; K183-E248 IonicContact NZ-OE1 3.44Å; K183-E248 PolarHBondContact NZ-OE1 3.39Å
184Y95.3Very high94.4Very high9 Ų925.6 Ų25.64%0.03514%0.138CC..Hα-helixtrans-110.4-6.8-168.9-70.4-79000114.7L180 C186 I252 L257 N258 Y261L180-Y184 HydrophobicContact CD2-CD2 3.99Å; L180-Y184 HydrophobicContact CD2-CE2 3.88Å; L180-Y184 WeakPolarHBondContact O-CB 3.45Å; L180-Y184 PolarHBondContact O-N 3.02Å; Y184-C186 PolarHBondContact O-N 3.42Å; Y184-I252 HydrophobicContact CE2-CD1 4.04Å; Y184-I252 HydrophobicContact CE2-CG1 3.99Å; Y184-L257 HydrophobicContact CD1-CB 4.05Å; Y184-L257 HydrophobicContact CD2-CB 4.48Å; Y184-L257 HydrophobicContact CD2-CD1 4.1Å; Y184-L257 HydrophobicContact CE1-CB 3.93Å; Y184-L257 HydrophobicContact CE2-CB 4.38Å; Y184-L257 HydrophobicContact CE2-CD1 4.23Å; Y184-L257 HydrophobicContact CG-CB 4.32Å; Y184-L257 HydrophobicContact CG-CD1 4.49Å; Y184-N258 VanDerWaalsContact CE1-OD1 3.31Å; Y184-N258 WeakPolarHBondContact CE1-OD1 3.12Å; Y184-N258 PolarHBondContact OH-OD1 3.32Å; Y184-Y261 HydrophobicContact CD1-CD1 4.43Å; Y184-Y261 HydrophobicContact CD1-CD2 4.23Å; Y184-Y261 AromaticContact CD1-CG 3.94Å; Y184-Y261 HydrophobicContact CD1-CG 3.94Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.27Å; Y184-Y261 VanDerWaalsContact O-CE2 3.28Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.36Å
185N94.1Very high94.6Very high35 Ų3526.4 Ų26.419%0.18714%0.142CC..  trans-63.2133.1177.3173.975.7000111.9Y137 S181 F191Y137-N185 HydrophobicContact CD1-CB 3.89Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.49Å; Y137-N185 WeakPolarHBondContact CD1-OD1 3.29Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.32Å; Y137-N185 VanDerWaalsContact CE1-OD1 3.22Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.43Å; Y137-N185 HydrophobicContact CG-CB 4.31Å; S181-N185 WeakPolarHBondContact O-CB 3.22Å; S181-N185 PolarHBondContact O-N 3.44Å; N185-F191 HydrophobicContact CB-CD2 4.44Å
186C92.6Very high94.9Very high21 Ų2125.8 Ų25.814%0.14214%0.137CC..  trans-156.6-177.7172.464.40000110.9Y184 G188 L189 Y261 S264Y184-C186 PolarHBondContact O-N 3.42Å; C186-G188 PolarHBondContact O-N 2.83Å; C186-L189 PolarHBondContact N-O 2.88Å; C186-L189 CarbonylContact O-C 3.58Å; C186-L189 PolarHBondContact O-N 3Å; C186-Y261 HydrophobicContact CB-CD2 4.36Å; C186-Y261 HydrophobicContact CB-CE2 3.97Å; C186-S264 VanDerWaalsContact SG-CB 3.53Å
187S88.9Confident94.8Very high66 Ų6626.8 Ų26.846%0.46215%0.151SC..SBendtrans-58-33.5-17853.90000113.9S268S187-S268 WeakPolarHBondContact OG-CB 3.45Å; S187-S268 PolarHBondContact OG-OG 3.03Å
188G91.1Very high94.7Very high11 Ų1135.6 Ų35.611%0.11318%0.184CC..SBendtrans-102.2-7.8-179.300000116T157 C186 S264T157-G188 PolarHBondContact N-O 2.78Å; C186-G188 PolarHBondContact O-N 2.83Å; G188-S264 PolarHBondContact O-OG 2.95Å
189L95.2Very high94.7Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-133.4117.1176.917862.3000109.5T157 I159 C186 F191 L260T157-L189 HydrophobicContact CG2-CD1 3.77Å; T157-L189 WeakPolarHBondContact O-CA 3.21Å; I159-L189 HydrophobicContact CD1-CD1 4.08Å; I159-L189 HydrophobicContact CG1-CD1 4.19Å; C186-L189 PolarHBondContact N-O 2.88Å; C186-L189 CarbonylContact O-C 3.58Å; C186-L189 PolarHBondContact O-N 3Å; L189-F191 HydrophobicContact CD2-CE2 4.41Å; L189-F191 HydrophobicContact CG-CE2 4.23Å; L189-L260 HydrophobicContact CD2-CB 4.28Å
190K96.1Very high94.6Very high73 Ų7336.1 Ų36.132%0.31719%0.192SC..EExtended strand (participates in β ladder)trans-125.7154.1-177-63.3-175-174.7175.40111.5V156 T157 W158 I159V156-K190 HydrophobicContact CG1-CB 4.29Å; V156-K190 HydrophobicContact CG1-CD 3.86Å; V156-K190 HydrophobicContact CG1-CG 3.87Å; T157-K190 PolarHBondContact O-N 3.43Å; W158-K190 WeakPolarHBondContact CA-O 3.49Å; W158-K190 HydrophobicContact CD2-CB 3.86Å; W158-K190 HydrophobicContact CE3-CB 3.46Å; W158-K190 VanDerWaalsContact CE3-CB 3.46Å; W158-K190 HydrophobicContact CH2-CB 3.74Å; W158-K190 HydrophobicContact CH2-CD 3.49Å; W158-K190 VanDerWaalsContact CH2-CD 3.49Å; W158-K190 HydrophobicContact CH2-CG 4.27Å; W158-K190 HydrophobicContact CZ2-CB 4.14Å; W158-K190 HydrophobicContact CZ2-CD 3.56Å; W158-K190 HydrophobicContact CZ2-CG 4.47Å; W158-K190 HydrophobicContact CZ3-CB 3.38Å; W158-K190 HydrophobicContact CZ3-CD 4.08Å; W158-K190 HydrophobicContact CZ3-CG 4.38Å; I159-K190 PolarHBondContact N-O 3.37Å
191F97.7Very high94.4Very high2 Ų241.5 Ų41.51%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-111.9142.6179.5-70.8-104.5000109.6I138 K139 I159 Y177 L180 N185 L189I138-F191 HydrophobicContact CG1-CB 4.16Å; K139-F191 PolarHBondContact N-O 3Å; I159-F191 HydrophobicContact CB-CD1 4.23Å; I159-F191 HydrophobicContact CB-CE1 4.28Å; I159-F191 HydrophobicContact CD1-CE1 3.98Å; I159-F191 HydrophobicContact CD1-CZ 3.99Å; I159-F191 HydrophobicContact CG2-CD1 4.47Å; I159-F191 HydrophobicContact CG2-CE1 4.43Å; I159-F191 CarbonylContact O-C 3.55Å; I159-F191 WeakPolarHBondContact O-CA 3.41Å; Y177-F191 HydrophobicContact CD2-CD1 4.39Å; Y177-F191 HydrophobicContact CE1-CD1 4.47Å; Y177-F191 AromaticContact CE2-CD1 3.63Å; Y177-F191 HydrophobicContact CE2-CD1 3.63Å; Y177-F191 HydrophobicContact CE2-CE1 4.17Å; Y177-F191 AromaticContact CZ-CD1 3.68Å; L180-F191 HydrophobicContact CB-CE1 4.12Å; N185-F191 HydrophobicContact CB-CD2 4.44Å; L189-F191 HydrophobicContact CD2-CE2 4.41Å; L189-F191 HydrophobicContact CG-CE2 4.23Å
192G97Very high94.3Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-147.9158.6-179.200000113.9K139 I159 V160 E161 Y177K139-G192 CarbonylContact O-C 3.46Å; K139-G192 WeakPolarHBondContact O-CA 3.48Å; I159-G192 PolarHBondContact O-N 3.46Å; V160-G192 CarbonylContact C-O 3.58Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.37Å; E161-G192 PolarHBondContact N-O 3.38Å; Y177-G192 PolarHBondContact OH-N 3.18Å; Y177-G192 PolarHBondContact OH-O 3.2Å
193K96.5Very high94.2Very high12 Ų1238.2 Ų38.25%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-133.4139.7-176.6-86.9174.691.71650111I138 K139 Y140 F141 E161 F163 Y177I138-K193 HydrophobicContact CD1-CD 4.06Å; I138-K193 HydrophobicContact CG2-CB 3.89Å; I138-K193 HydrophobicContact CG2-CD 3.77Å; I138-K193 HydrophobicContact CG2-CG 3.69Å; K139-K193 PolarHBondContact O-N 2.94Å; Y140-K193 WeakPolarHBondContact CA-O 3.45Å; Y140-K193 HydrophobicContact CD1-CB 3.94Å; Y140-K193 HydrophobicContact CE1-CB 3.9Å; Y140-K193 HydrophobicContact CE1-CD 4.17Å; F141-K193 PolarHBondContact N-O 3.45Å; E161-K193 HydrophobicContact CB-CG 3.98Å; E161-K193 WeakPolarHBondContact O-CA 3.39Å; E161-K193 WeakPolarHBondContact OE2-CD 3.28Å; E161-K193 WeakPolarHBondContact OE2-CE 3.47Å; E161-K193 WeakPolarHBondContact OE2-CG 3.25Å; E161-K193 IonicContact OE2-NZ 3.48Å; F163-K193 HydrophobicContact CD1-CB 4.15Å; F163-K193 HydrophobicContact CD1-CG 4.32Å; F163-K193 HydrophobicContact CE1-CB 3.8Å; F163-K193 HydrophobicContact CE1-CG 4.34Å; Y177-K193 HydrophobicContact CD1-CD 4.04Å; Y177-K193 HydrophobicContact CD1-CG 4.24Å; Y177-K193 HydrophobicContact CE1-CD 4.07Å; Y177-K193 HydrophobicContact CE1-CG 3.82Å
194V96.4Very high94.1Very high1 Ų139.6 Ų39.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-136.1124.8173.5630000110.9F141 I146 V160 E161 F162 F163 I196 Y199 V202F141-V194 HydrophobicContact CB-CB 4.24Å; F141-V194 HydrophobicContact CB-CG2 4.43Å; I146-V194 HydrophobicContact CD1-CB 4.41Å; I146-V194 HydrophobicContact CD1-CG1 4.21Å; I146-V194 HydrophobicContact CD1-CG2 4.48Å; V160-V194 HydrophobicContact CG1-CG1 4.13Å; E161-V194 PolarHBondContact O-N 3.31Å; F162-V194 HydrophobicContact CB-CG1 4.36Å; F162-V194 HydrophobicContact CD1-CG1 3.33Å; F162-V194 HydrophobicContact CD2-CG1 4.45Å; F162-V194 HydrophobicContact CE1-CG1 3.58Å; F162-V194 HydrophobicContact CG-CG1 3.82Å; F162-V194 HydrophobicContact CZ-CG1 4.24Å; F163-V194 WeakPolarHBondContact CD1-O 3.43Å; F163-V194 VanDerWaalsContact CE1-C 3.41Å; F163-V194 PolarHBondContact N-O 3.42Å; V194-I196 HydrophobicContact CG1-CG2 4.2Å; V194-I196 PolarHBondContact O-N 3.05Å; V194-Y199 HydrophobicContact CG2-CD2 4.06Å; V194-V202 HydrophobicContact CG1-CG1 4.35Å; V194-V202 HydrophobicContact CG2-CG1 3.97Å; V194-V202 HydrophobicContact CG2-CG2 4.45Å
195D95.5Very high94Very high22 Ų2244.9 Ų44.912%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-81.194.4178-176.6-6.8000109.5F163 N165 G197 R198 Y199F163-D195 HydrophobicContact CE1-CB 4.01Å; F163-D195 HydrophobicContact CE2-CB 4.26Å; F163-D195 HydrophobicContact CZ-CB 3.77Å; F163-D195 CarbonylContact O-C 3.6Å; F163-D195 WeakPolarHBondContact O-CA 3.48Å; N165-D195 PolarHBondContact ND2-OD2 2.97Å; D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 VanDerWaalsContact OD1-CA 3.31Å; D195-G197 WeakPolarHBondContact OD1-CA 3.18Å; D195-G197 PolarHBondContact OD1-N 2.91Å; D195-R198 HydrophobicContact CB-CB 4.27Å; D195-R198 PolarHBondContact O-N 2.78Å; D195-R198 PolarHBondContact OD1-N 3.45Å; D195-Y199 WeakPolarHBondContact O-CB 3.41Å; D195-Y199 WeakPolarHBondContact O-CD2 3.05Å; D195-Y199 PolarHBondContact O-N 3.13Å
196I95.4Very high94Very high2 Ų244.5 Ų44.51%0.0122%0.223CC..THydrogen-bonded Turntrans-79.7-11.2177.159.9163.8000113.4F162 F163 V194 R198 V202 V208 T210 L217F162-I196 HydrophobicContact CB-CD1 4.15Å; F162-I196 HydrophobicContact CB-CG1 4.48Å; F162-I196 HydrophobicContact CB-CG2 4.36Å; F162-I196 HydrophobicContact CD1-CG2 3.67Å; F163-I196 WeakPolarHBondContact O-CG1 3.42Å; F163-I196 PolarHBondContact O-N 3.25Å; V194-I196 HydrophobicContact CG1-CG2 4.2Å; V194-I196 PolarHBondContact O-N 3.05Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-V202 HydrophobicContact CG2-CB 4.14Å; I196-V202 HydrophobicContact CG2-CG1 3.84Å; I196-V208 HydrophobicContact CD1-CB 3.77Å; I196-V208 HydrophobicContact CD1-CG1 3.42Å; I196-V208 VanDerWaalsContact CD1-CG1 3.42Å; I196-T210 HydrophobicContact CB-CG2 4.2Å; I196-T210 HydrophobicContact CD1-CG2 3.68Å; I196-T210 HydrophobicContact CG1-CG2 3.78Å; I196-T210 WeakPolarHBondContact O-CG2 3.43Å; I196-L217 HydrophobicContact CD1-CD2 3.82Å; I196-L217 HydrophobicContact CG1-CD2 4.16Å
197G92.3Very high94Very high38 Ų3851.6 Ų51.639%0.39225%0.252SS..THydrogen-bonded Turntrans-67.3-32.9167.100000111.7D195D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 VanDerWaalsContact OD1-CA 3.31Å; D195-G197 WeakPolarHBondContact OD1-CA 3.18Å; D195-G197 PolarHBondContact OD1-N 2.91Å
198R93.1Very high94.2Very high186 Ų18648.5 Ų48.570%0.70223%0.23SC*.THydrogen-bonded Turntrans-87.9-41.7172.9-172.8177-178.2175.8-0.6112.6D195 I196 G200D195-R198 HydrophobicContact CB-CB 4.27Å; D195-R198 PolarHBondContact O-N 2.78Å; D195-R198 PolarHBondContact OD1-N 3.45Å; I196-R198 VanDerWaalsContact C-N 3.28Å; R198-G200 PolarHBondContact O-N 2.91Å
199Y94.6Very high94.3Very high55 Ų5550 Ų5022%0.21624%0.238CC..  trans-101.676.7-174.8-53.9-53.2000112D143 V194 D195 E201 V202 S203D143-Y199 HydrophobicContact CB-CD1 3.95Å; D143-Y199 HydrophobicContact CB-CG 4.1Å; V194-Y199 HydrophobicContact CG2-CD2 4.06Å; D195-Y199 WeakPolarHBondContact O-CB 3.41Å; D195-Y199 WeakPolarHBondContact O-CD2 3.05Å; D195-Y199 PolarHBondContact O-N 3.13Å; Y199-E201 PolarHBondContact O-N 3.42Å; Y199-V202 WeakPolarHBondContact O-CB 3.26Å; Y199-V202 PolarHBondContact O-N 3.27Å; Y199-S203 PolarHBondContact O-N 3.38Å
200G92Very high94.1Very high37 Ų3752.2 Ų52.238%0.38125%0.252SS..Hα-helixtrans-58.9-30.4-177.700000114.7R198 V202 S203 K204R198-G200 PolarHBondContact O-N 2.91Å; G200-V202 VanDerWaalsContact C-N 3.34Å; G200-V202 PolarHBondContact O-N 3Å; G200-S203 WeakPolarHBondContact O-CB 3.34Å; G200-S203 PolarHBondContact O-N 3.36Å; G200-K204 WeakPolarHBondContact O-CG 3.2Å; G200-K204 PolarHBondContact O-N 2.86Å; G200-K204 VanDerWaalsContact O-N 3.12Å
201E92.6Very high93.8Very high112 Ų11251.2 Ų51.252%0.52326%0.255SS..Hα-helixtrans-69.1-32.6176.5-62.7-50.6122.600112.4Y199 K204 R205Y199-E201 PolarHBondContact O-N 3.42Å; E201-K204 PolarHBondContact O-N 3.4Å; E201-K204 IonicContact OE1-NZ 3.47Å; E201-K204 PolarHBondContact OE1-NZ 2.86Å; E201-K204 IonicContact OE2-NZ 2.79Å; E201-R205 WeakPolarHBondContact O-CB 3.26Å; E201-R205 VanDerWaalsContact O-CG 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.29Å; E201-R205 PolarHBondContact O-N 3.12Å
202V94.3Very high93.2Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-66.3-43.6172.5-179.90000110.2D143 I146 F162 V194 I196 Y199 G200 K204 R205 Y206D143-V202 HydrophobicContact CB-CG2 3.95Å; I146-V202 HydrophobicContact CD1-CG1 4.38Å; F162-V202 HydrophobicContact CD1-CG1 4.28Å; F162-V202 HydrophobicContact CE1-CG1 3.86Å; V194-V202 HydrophobicContact CG1-CG1 4.35Å; V194-V202 HydrophobicContact CG2-CG1 3.97Å; V194-V202 HydrophobicContact CG2-CG2 4.45Å; I196-V202 HydrophobicContact CG2-CB 4.14Å; I196-V202 HydrophobicContact CG2-CG1 3.84Å; Y199-V202 WeakPolarHBondContact O-CB 3.26Å; Y199-V202 PolarHBondContact O-N 3.27Å; G200-V202 VanDerWaalsContact C-N 3.34Å; G200-V202 PolarHBondContact O-N 3Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.89Å; V202-R205 PolarHBondContact O-N 3.38Å; V202-Y206 HydrophobicContact CG1-CD2 3.63Å; V202-Y206 HydrophobicContact CG1-CE2 3.92Å; V202-Y206 WeakPolarHBondContact O-CD2 3.25Å; V202-Y206 PolarHBondContact O-N 3.39Å
203S93.2Very high92.8Very high14 Ų1463.4 Ų63.410%0.09832%0.324CS..Hα-helixtrans-53.4-47.7174.5161.80000111.8Y199 G200 K207 V208Y199-S203 PolarHBondContact O-N 3.38Å; G200-S203 WeakPolarHBondContact O-CB 3.34Å; G200-S203 PolarHBondContact O-N 3.36Å; S203-K207 WeakPolarHBondContact O-CA 3.48Å; S203-K207 PolarHBondContact O-N 3.49Å; S203-V208 WeakPolarHBondContact CB-O 3.45Å; S203-V208 PolarHBondContact O-N 3.49Å; S203-V208 PolarHBondContact OG-O 3.32Å
204K93.1Very high92.3Very high136 Ų13663.9 Ų63.959%0.59133%0.329SS*.Hα-helixtrans-64.7-47178.3-67.4173-171.51650112.1G200 E201 V202 K207G200-K204 WeakPolarHBondContact O-CG 3.2Å; G200-K204 PolarHBondContact O-N 2.86Å; G200-K204 VanDerWaalsContact O-N 3.12Å; E201-K204 PolarHBondContact O-N 3.4Å; E201-K204 IonicContact OE1-NZ 3.47Å; E201-K204 PolarHBondContact OE1-NZ 2.86Å; E201-K204 IonicContact OE2-NZ 2.79Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.89Å; K204-K207 PolarHBondContact O-N 2.86Å
205R92.7Very high91.9Very high120 Ų12071.8 Ų71.845%0.45336%0.363SS..Hα-helixtrans-60.6-47.5-178.7-75.4-169.7-62.6171.13.8112.6D143 D147 E201 V202 K207D143-R205 PolarHBondContact O-NH2 2.99Å; D147-R205 IonicContact OD2-CZ 2.74Å; D147-R205 IonicContact OD2-NH1 3.57Å; D147-R205 PolarHBondContact OD2-NH1 2.89Å; D147-R205 IonicContact OD2-NH2 2.71Å; E201-R205 WeakPolarHBondContact O-CB 3.26Å; E201-R205 VanDerWaalsContact O-CG 3.31Å; E201-R205 WeakPolarHBondContact O-CG 3.29Å; E201-R205 PolarHBondContact O-N 3.12Å; V202-R205 PolarHBondContact O-N 3.38Å; R205-K207 VanDerWaalsContact C-N 3.29Å; R205-K207 PolarHBondContact O-N 3.04Å
206Y92.8Very high91.8Very high26 Ų2671.1 Ų71.110%0.10236%0.36CS..Hα-helixtrans-88.22.9-179.8-67.5-85.3000113.7I146 D147 F162 V202 V208 F223 R231I146-Y206 HydrophobicContact CD1-CE2 3.85Å; I146-Y206 HydrophobicContact CG2-CE2 4.39Å; D147-Y206 PolarHBondContact OD1-OH 3.16Å; D147-Y206 VanDerWaalsContact OD1-OH 3.11Å; F162-Y206 HydrophobicContact CE1-CD1 4.18Å; F162-Y206 AromaticContact CE1-CD2 3.59Å; F162-Y206 HydrophobicContact CE1-CD2 3.59Å; F162-Y206 HydrophobicContact CE1-CE2 4.2Å; F162-Y206 AromaticContact CE1-CG 3.55Å; F162-Y206 HydrophobicContact CE1-CG 3.55Å; F162-Y206 AromaticContact CZ-CD1 3.75Å; F162-Y206 HydrophobicContact CZ-CD1 3.75Å; F162-Y206 AromaticContact CZ-CD2 3.96Å; F162-Y206 HydrophobicContact CZ-CD2 3.96Å; F162-Y206 HydrophobicContact CZ-CE1 4.18Å; F162-Y206 HydrophobicContact CZ-CE2 4.36Å; F162-Y206 AromaticContact CZ-CG 3.61Å; F162-Y206 HydrophobicContact CZ-CG 3.61Å; V202-Y206 HydrophobicContact CG1-CD2 3.63Å; V202-Y206 HydrophobicContact CG1-CE2 3.92Å; V202-Y206 WeakPolarHBondContact O-CD2 3.25Å; V202-Y206 PolarHBondContact O-N 3.39Å; Y206-V208 VanDerWaalsContact C-N 3.27Å; Y206-V208 PolarHBondContact O-N 3.2Å; Y206-F223 HydrophobicContact CD1-CE1 4.3Å; Y206-F223 AromaticContact CD1-CZ 3.89Å; Y206-F223 HydrophobicContact CD1-CZ 3.89Å; Y206-F223 AromaticContact CE1-CE1 3.74Å; Y206-F223 HydrophobicContact CE1-CE1 3.74Å; Y206-F223 AromaticContact CE1-CZ 3.54Å; Y206-F223 HydrophobicContact CE1-CZ 3.54Å; Y206-R231 PolarHBondContact O-NH1 2.96Å; Y206-R231 PolarHBondContact O-NH2 3.49Å
207K93.4Very high91.7Very high171 Ų17171.8 Ų71.874%0.74336%0.363SS*.THydrogen-bonded Turntrans53.742.4178.7-56.1177.4-178.3176.90112.5S203 K204 R205S203-K207 WeakPolarHBondContact O-CA 3.48Å; S203-K207 PolarHBondContact O-N 3.49Å; K204-K207 PolarHBondContact O-N 2.86Å; R205-K207 VanDerWaalsContact C-N 3.29Å; R205-K207 PolarHBondContact O-N 3.04Å
208V93.8Very high91.9Very high1 Ų170.1 Ų70.11%0.00635%0.345CS..  trans-104.6111.9175.8-175.60000108.1F162 I196 S203 Y206 Q216F162-V208 HydrophobicContact CB-CG1 4.32Å; F162-V208 HydrophobicContact CB-CG2 4.42Å; F162-V208 HydrophobicContact CD1-CG2 4.31Å; F162-V208 HydrophobicContact CG-CG2 4.23Å; I196-V208 HydrophobicContact CD1-CB 3.77Å; I196-V208 HydrophobicContact CD1-CG1 3.42Å; I196-V208 VanDerWaalsContact CD1-CG1 3.42Å; S203-V208 WeakPolarHBondContact CB-O 3.45Å; S203-V208 PolarHBondContact O-N 3.49Å; S203-V208 PolarHBondContact OG-O 3.32Å; Y206-V208 VanDerWaalsContact C-N 3.27Å; Y206-V208 PolarHBondContact O-N 3.2Å; V208-Q216 HydrophobicContact CG1-CB 4.48Å
209S92.3Very high92Very high41 Ų4161.2 Ų61.229%0.28731%0.312SS..  trans-71.3131.6179.6-171.90000111.1S211 S214S209-S211 VanDerWaalsContact C-N 3.33Å; S209-S211 PolarHBondContact OG-N 3.35Å; S209-S214 PolarHBondContact O-OG 3.1Å
210T91.9Very high92.1Very high48 Ų4858.6 Ų58.629%0.29430%0.301SS..  trans-915.8171.553.50000112.6W166 I196W166-T210 WeakPolarHBondContact CH2-O 2.98Å; W166-T210 WeakPolarHBondContact CZ2-O 3.29Å; I196-T210 HydrophobicContact CB-CG2 4.2Å; I196-T210 HydrophobicContact CD1-CG2 3.68Å; I196-T210 HydrophobicContact CG1-CG2 3.78Å; I196-T210 WeakPolarHBondContact O-CG2 3.43Å
211S89.8Confident92.4Very high52 Ų5256.9 Ų56.936%0.36428%0.283SS..  trans-69.7131.4177.6174.70000110.1S209 L213 S214S209-S211 VanDerWaalsContact C-N 3.33Å; S209-S211 PolarHBondContact OG-N 3.35Å; S211-L213 PolarHBondContact O-N 3.1Å; S211-L213 VanDerWaalsContact O-N 3.1Å; S211-L213 PolarHBondContact OG-N 3.02Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.22Å; S211-S214 PolarHBondContact O-OG 2.88Å
212P85.5Confident92.6Very high98 Ų9851.8 Ų51.864%0.63626%0.26SS*.THydrogen-bonded Turntrans-55.7-28.2175.4-24.732.5000113.4W166W166-P212 HydrophobicContact CH2-CG 3.99Å; W166-P212 HydrophobicContact CZ3-CB 4.16Å; W166-P212 HydrophobicContact CZ3-CG 3.79Å
213L86.7Confident92.7Very high160 Ų16052.1 Ų52.184%0.83826%0.261SS*.THydrogen-bonded Turntrans-80-17179.9-61.2177.4000113.5S211 K215S211-L213 PolarHBondContact O-N 3.1Å; S211-L213 VanDerWaalsContact O-N 3.1Å; S211-L213 PolarHBondContact OG-N 3.02Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.35Å
214S87Confident92.8Very high21 Ų2154.7 Ų54.715%0.14727%0.271CS..THydrogen-bonded Turntrans-73.6-24-174.971.70000113.7S209 S211 Q216 A241S209-S214 PolarHBondContact O-OG 3.1Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.22Å; S211-S214 PolarHBondContact O-OG 2.88Å; S214-Q216 PolarHBondContact O-N 2.88Å; S214-Q216 VanDerWaalsContact O-N 3.14Å; S214-Q216 PolarHBondContact OG-N 3.5Å; S214-A241 WeakPolarHBondContact O-CB 3.48Å
215K88.8Confident92.6Very high167 Ų16749.9 Ų49.973%0.72626%0.261SS*.  trans52.626.4-172.7-58.4-177.9178.7179.80113.8L213 A241L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.35Å; K215-A241 HydrophobicContact CB-CB 4.25Å; K215-A241 WeakPolarHBondContact O-CB 3.43Å
216Q93Very high92.5Very high9 Ų945.3 Ų45.34%0.04225%0.251CS..  trans-87.4-5.9176.4-69-171.722.200113.2V208 S214 P218 S219 V235 G239 A241V208-Q216 HydrophobicContact CG1-CB 4.48Å; S214-Q216 PolarHBondContact O-N 2.88Å; S214-Q216 VanDerWaalsContact O-N 3.14Å; S214-Q216 PolarHBondContact OG-N 3.5Å; Q216-P218 CarbonylContact O-C 3.59Å; Q216-P218 VanDerWaalsContact O-C 3.25Å; Q216-P218 VanDerWaalsContact O-O 3.06Å; Q216-S219 WeakPolarHBondContact O-CB 3.39Å; Q216-S219 PolarHBondContact O-N 2.92Å; Q216-S219 PolarHBondContact O-OG 3.36Å; Q216-V235 HydrophobicContact CG-CG2 4.23Å; Q216-G239 PolarHBondContact NE2-O 2.87Å; Q216-A241 HydrophobicContact CG-CB 3.91Å
217L93.3Very high92.5Very high16 Ų1651.6 Ų51.68%0.08428%0.279CS..  trans-105.2137.9179.5-76.5174.8000111.1F162 A164 W166 I196F162-L217 WeakPolarHBondContact O-CD2 3.49Å; A164-L217 HydrophobicContact CB-CD1 3.7Å; W166-L217 HydrophobicContact CH2-CD1 3.57Å; W166-L217 HydrophobicContact CZ2-CD1 3.6Å; I196-L217 HydrophobicContact CD1-CD2 3.82Å; I196-L217 HydrophobicContact CG1-CD2 4.16Å
218P95Very high92.6Very high2 Ų247.3 Ų47.31%0.01326%0.261CS..SBendcis-64.2159.2-1426.8-31.3000111.7E161 F173 Q216 P233 F246E161-P218 HydrophobicContact CG-CB 4.31Å; F173-P218 HydrophobicContact CB-CG 4.05Å; F173-P218 HydrophobicContact CD1-CB 3.94Å; F173-P218 HydrophobicContact CD1-CG 3.71Å; F173-P218 HydrophobicContact CG-CG 4.01Å; Q216-P218 CarbonylContact O-C 3.59Å; Q216-P218 VanDerWaalsContact O-C 3.25Å; Q216-P218 VanDerWaalsContact O-O 3.06Å; P218-P233 WeakPolarHBondContact O-CD 3.27Å; P218-F246 HydrophobicContact CB-CE1 4.43Å; P218-F246 HydrophobicContact CB-CZ 4.49Å; P218-F246 HydrophobicContact CG-CD1 4.06Å; P218-F246 HydrophobicContact CG-CD2 4.22Å; P218-F246 HydrophobicContact CG-CE1 3.83Å; P218-F246 HydrophobicContact CG-CE2 3.99Å; P218-F246 HydrophobicContact CG-CG 4.27Å; P218-F246 HydrophobicContact CG-CZ 3.8Å; P218-F246 WeakPolarHBondContact O-CZ 3.49Å
219S96.1Very high92.6Very high0 Ų051 Ų510%028%0.284CS..EExtended strand (participates in β ladder)trans-120.6119169.7-91.90000109.9F162 Q216 R232F162-S219 PolarHBondContact N-O 3.44Å; F162-S219 PolarHBondContact O-N 2.9Å; Q216-S219 WeakPolarHBondContact O-CB 3.39Å; Q216-S219 PolarHBondContact O-N 2.92Å; Q216-S219 PolarHBondContact O-OG 3.36Å; S219-R232 CarbonylContact C-O 3.5Å; S219-R232 WeakPolarHBondContact CA-O 3.45Å
220L97.3Very high92.8Very high0 Ų051.3 Ų51.30%028%0.281CS..EExtended strand (participates in β ladder)trans-96.7126.9172.7-75172.3000109.8I159 E161 F173 Y177 R231 R232 F246 I251 F255I159-L220 HydrophobicContact CG2-CD2 4.18Å; E161-L220 HydrophobicContact CB-CD2 3.87Å; E161-L220 HydrophobicContact CG-CD2 4.25Å; F173-L220 HydrophobicContact CE1-CD1 4.06Å; F173-L220 HydrophobicContact CE1-CD2 3.93Å; F173-L220 HydrophobicContact CE1-CG 4.05Å; F173-L220 HydrophobicContact CZ-CD1 3.64Å; F173-L220 HydrophobicContact CZ-CD2 4.14Å; F173-L220 HydrophobicContact CZ-CG 4.15Å; Y177-L220 HydrophobicContact CD2-CD2 3.8Å; Y177-L220 HydrophobicContact CE2-CD2 3.47Å; Y177-L220 VanDerWaalsContact CE2-CD2 3.47Å; L220-R231 CarbonylContact O-C 3.6Å; L220-R231 WeakPolarHBondContact O-CA 3.35Å; L220-R232 PolarHBondContact N-O 3.49Å; L220-R232 PolarHBondContact O-N 3.33Å; L220-F246 HydrophobicContact CD1-CD1 3.96Å; L220-F246 HydrophobicContact CD1-CE1 3.85Å; L220-F246 HydrophobicContact CG-CE1 4.01Å; L220-I251 HydrophobicContact CD1-CD1 4.01Å; L220-I251 HydrophobicContact CD1-CG1 4.01Å; L220-I251 HydrophobicContact CD1-CG2 4.36Å; L220-F255 HydrophobicContact CB-CE1 4.48Å; L220-F255 HydrophobicContact CB-CE2 4.27Å; L220-F255 HydrophobicContact CB-CZ 3.71Å; L220-F255 HydrophobicContact CD1-CE2 4.32Å
221V97.1Very high92.9Very high0 Ų051 Ų510%028%0.275CS..EExtended strand (participates in β ladder)trans-127.6131.2-179.6-170.80000109.8V160 F162 F223 E228 M230 R231V160-V221 PolarHBondContact N-O 3.4Å; V160-V221 PolarHBondContact O-N 3.42Å; F162-V221 HydrophobicContact CD2-CB 4.33Å; F162-V221 HydrophobicContact CD2-CG2 3.66Å; F162-V221 HydrophobicContact CE2-CB 3.83Å; F162-V221 HydrophobicContact CE2-CG2 3.5Å; V221-F223 HydrophobicContact CB-CD2 4.41Å; V221-F223 HydrophobicContact CB-CE2 3.68Å; V221-F223 HydrophobicContact CB-CZ 4.08Å; V221-F223 HydrophobicContact CG1-CD2 4.16Å; V221-F223 HydrophobicContact CG1-CE1 4.18Å; V221-F223 HydrophobicContact CG1-CE2 3.53Å; V221-F223 HydrophobicContact CG1-CZ 3.54Å; V221-E228 HydrophobicContact CG1-CB 4.27Å; V221-E228 HydrophobicContact CG1-CG 3.54Å; V221-M230 WeakPolarHBondContact CA-O 3.44Å; V221-R231 HydrophobicContact CB-CB 4.46Å; V221-R231 HydrophobicContact CG1-CB 4.36Å; V221-R231 HydrophobicContact CG2-CB 3.93Å
222L97.3Very high93.2Very high6 Ų650.4 Ų50.43%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-93.8124.3175.1-176.369.5000109.6T157 I159 V229 M230 F255 L260T157-L222 HydrophobicContact CG2-CD1 3.46Å; T157-L222 VanDerWaalsContact CG2-CD1 3.46Å; T157-L222 HydrophobicContact CG2-CG 4.36Å; I159-L222 HydrophobicContact CD1-CD1 4.31Å; I159-L222 HydrophobicContact CG1-CD1 3.6Å; L222-V229 HydrophobicContact CD2-CB 4.23Å; L222-V229 HydrophobicContact CD2-CG1 4.32Å; L222-V229 HydrophobicContact CG-CB 4.45Å; L222-V229 PolarHBondContact O-N 3.21Å; L222-M230 HydrophobicContact CB-CG 3.64Å; L222-M230 HydrophobicContact CD2-CG 3.86Å; L222-M230 HydrophobicContact CD2-SD 4.07Å; L222-M230 HydrophobicContact CG-CG 4.4Å; L222-M230 PolarHBondContact N-O 3.48Å; L222-F255 HydrophobicContact CB-CD1 3.93Å; L222-F255 HydrophobicContact CB-CE1 3.99Å; L222-L260 HydrophobicContact CD1-CD1 3.99Å; L222-L260 HydrophobicContact CD2-CD1 4.24Å
223F96.8Very high93.7Very high7 Ų745.9 Ų45.93%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-112.3131.2174.3-63.5-88.4000111L150 T157 W158 V160 F162 Y206 V221 K227 E228L150-F223 HydrophobicContact CD1-CD1 4.19Å; L150-F223 HydrophobicContact CD1-CD2 4.33Å; L150-F223 HydrophobicContact CD1-CE1 4.25Å; L150-F223 HydrophobicContact CD1-CE2 4.35Å; L150-F223 HydrophobicContact CD1-CG 4.24Å; L150-F223 HydrophobicContact CD1-CZ 4.32Å; L150-F223 HydrophobicContact CD2-CB 4.13Å; L150-F223 HydrophobicContact CD2-CD2 4.16Å; L150-F223 HydrophobicContact CD2-CG 4.13Å; T157-F223 WeakPolarHBondContact CA-O 3.43Å; W158-F223 HydrophobicContact CB-CB 4.21Å; W158-F223 PolarHBondContact N-O 2.65Å; W158-F223 PolarHBondContact O-N 3.32Å; V160-F223 HydrophobicContact CB-CD2 4.25Å; V160-F223 HydrophobicContact CB-CE2 3.97Å; V160-F223 HydrophobicContact CG2-CD2 3.78Å; V160-F223 HydrophobicContact CG2-CE2 3.92Å; F162-F223 HydrophobicContact CE2-CE2 4.1Å; F162-F223 HydrophobicContact CE2-CZ 4.29Å; F162-F223 HydrophobicContact CZ-CE2 4.32Å; F162-F223 HydrophobicContact CZ-CZ 4.19Å; Y206-F223 HydrophobicContact CD1-CE1 4.3Å; Y206-F223 AromaticContact CD1-CZ 3.89Å; Y206-F223 HydrophobicContact CD1-CZ 3.89Å; Y206-F223 AromaticContact CE1-CE1 3.74Å; Y206-F223 HydrophobicContact CE1-CE1 3.74Å; Y206-F223 AromaticContact CE1-CZ 3.54Å; Y206-F223 HydrophobicContact CE1-CZ 3.54Å; V221-F223 HydrophobicContact CB-CD2 4.41Å; V221-F223 HydrophobicContact CB-CE2 3.68Å; V221-F223 HydrophobicContact CB-CZ 4.08Å; V221-F223 HydrophobicContact CG1-CD2 4.16Å; V221-F223 HydrophobicContact CG1-CE1 4.18Å; V221-F223 HydrophobicContact CG1-CE2 3.53Å; V221-F223 HydrophobicContact CG1-CZ 3.54Å; F223-K227 CarbonylContact C-O 3.25Å; F223-K227 VanDerWaalsContact CA-O 3.25Å; F223-K227 WeakPolarHBondContact CA-O 3.45Å; F223-E228 HydrophobicContact CD1-CB 4.25Å; F223-E228 HydrophobicContact CE1-CB 3.96Å
224Q94.4Very high94Very high67 Ų6743.1 Ų43.131%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-131.9128.2171.4-66.3-177.2-1500108.9T157 G226 K227 V229T157-Q224 HydrophobicContact CG2-CG 3.79Å; Q224-G226 PolarHBondContact O-N 3.26Å; Q224-K227 PolarHBondContact N-O 2.62Å; Q224-K227 PolarHBondContact O-N 3.36Å; Q224-K227 VanDerWaalsContact O-N 3.08Å; Q224-V229 HydrophobicContact CB-CG2 3.7Å; Q224-V229 HydrophobicContact CG-CG2 3.86Å
225G90.6Very high94.2Very high35 Ų3544.5 Ų44.536%0.36123%0.225SC..THydrogen-bonded Turntrans58.435.8-177.300000113.7S154 K227S154-G225 VanDerWaalsContact O-CA 3.31Å; S154-G225 WeakPolarHBondContact O-CA 3.3Å; S154-G225 PolarHBondContact O-N 3.48Å; G225-K227 PolarHBondContact O-N 3.08Å
226G89.6Confident94.2Very high24 Ų2439.7 Ų39.725%0.24721%0.207CC..THydrogen-bonded Turntrans73.7-0.5-177.500000115.2N151 Q224N151-G226 WeakPolarHBondContact OD1-CA 3.29Å; Q224-G226 PolarHBondContact O-N 3.26Å
227K92.9Very high93.9Very high159 Ų15950 Ų5069%0.69125%0.252SS*.EExtended strand (participates in β ladder)trans-108.5142.4-179.2-65.5-178.5-178.6178.70111.3F223 Q224 G225 V229F223-K227 CarbonylContact C-O 3.25Å; F223-K227 VanDerWaalsContact CA-O 3.25Å; F223-K227 WeakPolarHBondContact CA-O 3.45Å; Q224-K227 PolarHBondContact N-O 2.62Å; Q224-K227 PolarHBondContact O-N 3.36Å; Q224-K227 VanDerWaalsContact O-N 3.08Å; G225-K227 PolarHBondContact O-N 3.08Å; K227-V229 PolarHBondContact O-N 3.03Å
228E95Very high93.4Very high80 Ų8057.6 Ų57.637%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-67.8124.3170.6175.9176.4161.600110.4V221 F223 R231V221-E228 HydrophobicContact CG1-CB 4.27Å; V221-E228 HydrophobicContact CG1-CG 3.54Å; F223-E228 HydrophobicContact CD1-CB 4.25Å; F223-E228 HydrophobicContact CE1-CB 3.96Å; E228-R231 VanDerWaalsContact CD-NH2 3.28Å; E228-R231 IonicContact OE1-CZ 3.75Å; E228-R231 VanDerWaalsContact OE1-CZ 3.28Å; E228-R231 IonicContact OE1-NE 3.79Å; E228-R231 PolarHBondContact OE1-NE 3.38Å; E228-R231 IonicContact OE1-NH2 3.6Å; E228-R231 PolarHBondContact OE1-NH2 3.37Å; E228-R231 VanDerWaalsContact OE1-NH2 3.12Å; E228-R231 IonicContact OE2-CZ 2.75Å; E228-R231 IonicContact OE2-NE 3.46Å; E228-R231 IonicContact OE2-NH2 3.16Å; E228-R231 PolarHBondContact OE2-NH2 2.9Å
229V95.1Very high92.8Very high80 Ų8059.3 Ų59.349%0.48530%0.303SS..EExtended strand (participates in β ladder)trans-97.8-44.3177.4178.50000110.8L222 Q224 K227L222-V229 HydrophobicContact CD2-CB 4.23Å; L222-V229 HydrophobicContact CD2-CG1 4.32Å; L222-V229 HydrophobicContact CG-CB 4.45Å; L222-V229 PolarHBondContact O-N 3.21Å; Q224-V229 HydrophobicContact CB-CG2 3.7Å; Q224-V229 HydrophobicContact CG-CG2 3.86Å; K227-V229 PolarHBondContact O-N 3.03Å
230M94.9Very high92.3Very high46 Ų4666.7 Ų66.723%0.22733%0.33CS..EExtended strand (participates in β ladder)trans-158157.7-178.761.3176.2-66.300111.6V221 L222 E254 F255V221-M230 WeakPolarHBondContact CA-O 3.44Å; L222-M230 HydrophobicContact CB-CG 3.64Å; L222-M230 HydrophobicContact CD2-CG 3.86Å; L222-M230 HydrophobicContact CD2-SD 4.07Å; L222-M230 HydrophobicContact CG-CG 4.4Å; L222-M230 PolarHBondContact N-O 3.48Å; M230-E254 WeakPolarHBondContact CE-O 3.39Å; M230-F255 HydrophobicContact CE-CD1 3.92Å; M230-F255 HydrophobicContact CE-CD2 4.29Å; M230-F255 HydrophobicContact CE-CE1 3.98Å; M230-F255 HydrophobicContact CE-CE2 4.35Å; M230-F255 HydrophobicContact CE-CG 4.09Å; M230-F255 HydrophobicContact CE-CZ 4.19Å; M230-F255 HydrophobicContact CG-CD1 4.14Å; M230-F255 HydrophobicContact CG-CE1 4.07Å; M230-F255 HydrophobicContact SD-CD1 3.86Å; M230-F255 HydrophobicContact SD-CE1 4.24Å; M230-F255 HydrophobicContact SD-CG 4.32Å
231R95.6Very high92Very high43 Ų4367.6 Ų67.616%0.16234%0.338CS..EExtended strand (participates in β ladder)trans-139152.6174.266.1169.665.5-165.3-1.3113.1Y206 L220 V221 E228Y206-R231 PolarHBondContact O-NH1 2.96Å; Y206-R231 PolarHBondContact O-NH2 3.49Å; L220-R231 CarbonylContact O-C 3.6Å; L220-R231 WeakPolarHBondContact O-CA 3.35Å; V221-R231 HydrophobicContact CB-CB 4.46Å; V221-R231 HydrophobicContact CG1-CB 4.36Å; V221-R231 HydrophobicContact CG2-CB 3.93Å; E228-R231 VanDerWaalsContact CD-NH2 3.28Å; E228-R231 IonicContact OE1-CZ 3.75Å; E228-R231 VanDerWaalsContact OE1-CZ 3.28Å; E228-R231 IonicContact OE1-NE 3.79Å; E228-R231 PolarHBondContact OE1-NE 3.38Å; E228-R231 IonicContact OE1-NH2 3.6Å; E228-R231 PolarHBondContact OE1-NH2 3.37Å; E228-R231 VanDerWaalsContact OE1-NH2 3.12Å; E228-R231 IonicContact OE2-CZ 2.75Å; E228-R231 IonicContact OE2-NE 3.46Å; E228-R231 IonicContact OE2-NH2 3.16Å; E228-R231 PolarHBondContact OE2-NH2 2.9Å
232R95.6Very high91.7Very high38 Ų3870.7 Ų70.714%0.14336%0.357CS..EExtended strand (participates in β ladder)trans-134.1135.5169.6-66.8-64.3-175.8-173.5-2.8110.4S219 L220 W244 E254 F255S219-R232 CarbonylContact C-O 3.5Å; S219-R232 WeakPolarHBondContact CA-O 3.45Å; L220-R232 PolarHBondContact N-O 3.49Å; L220-R232 PolarHBondContact O-N 3.33Å; R232-W244 HydrophobicContact CB-CD2 4.05Å; R232-W244 HydrophobicContact CB-CE3 3.66Å; R232-W244 HydrophobicContact CB-CH2 3.96Å; R232-W244 HydrophobicContact CB-CZ2 4.36Å; R232-W244 HydrophobicContact CB-CZ3 3.6Å; R232-W244 HydrophobicContact CG-CD2 4.3Å; R232-W244 HydrophobicContact CG-CE3 4.35Å; R232-W244 HydrophobicContact CG-CH2 4.11Å; R232-W244 HydrophobicContact CG-CZ2 4.1Å; R232-W244 HydrophobicContact CG-CZ3 4.24Å; R232-E254 IonicContact CZ-OE2 3.9Å; R232-E254 IonicContact NE-OE2 2.88Å; R232-E254 IonicContact NH2-OE2 2.88Å; R232-E254 PolarHBondContact NH2-OE2 2.9Å; R232-F255 HydrophobicContact CB-CE2 4.09Å; R232-F255 HydrophobicContact CB-CZ 4.07Å; R232-F255 HydrophobicContact CG-CE2 3.78Å; R232-F255 HydrophobicContact CG-CZ 3.94Å
233P95.1Very high91.2Very high4 Ų476 Ų763%0.02639%0.394CS..SBendcis-66.1158.1-3.531.1-36.7000112.2P218 A241 V242 W244P218-P233 WeakPolarHBondContact O-CD 3.27Å; P233-A241 HydrophobicContact CB-CB 4.15Å; P233-A241 HydrophobicContact CG-CB 3.81Å; P233-V242 VanDerWaalsContact CB-O 3.22Å; P233-V242 WeakPolarHBondContact CB-O 3.12Å; P233-W244 HydrophobicContact CB-CB 4.33Å
234Q92.8Very high90.9Very high102 Ų10277.8 Ų77.848%0.47740%0.401SS..  trans-70.5144.3170.1-82.8175-21.900109.4A241 V242Q234-A241 CarbonylContact O-C 3.56Å; Q234-A241 WeakPolarHBondContact O-CA 3.29Å; Q234-V242 HydrophobicContact CB-CB 4.47Å; Q234-V242 HydrophobicContact CB-CG2 4.39Å; Q234-V242 PolarHBondContact O-N 2.97Å
235V91.5Very high90.6Very high49 Ų4977.9 Ų77.930%0.29741%0.409SS..BIsolated β-bridgetrans-113.1121.7180-176.50000108.7Q216 R240Q216-V235 HydrophobicContact CG-CG2 4.23Å; V235-R240 WeakPolarHBondContact CA-O 3.33Å
236D88.4Confident90.7Very high66 Ų6677.9 Ų77.935%0.35340%0.399SS..  trans-61.9162.5175.3-73.6-14.5000111.1K238 G239 R240D236-K238 PolarHBondContact O-N 3.33Å; D236-G239 PolarHBondContact O-N 3.46Å; D236-R240 PolarHBondContact N-O 3.13Å; D236-R240 IonicContact OD2-NH2 3.64Å
237K86.8Confident90.8Very high225 Ų22577.9 Ų77.998%0.97839%0.394SS*.THydrogen-bonded Turntrans-53.5-23.4172-63.7-176.3-179.8-179.50113.9G239K237-G239 VanDerWaalsContact C-N 3.34Å
238K84Confident90.8Very high177 Ų17773.1 Ų73.177%0.7738%0.375SS*.THydrogen-bonded Turntrans-885177.3-61.3-175.9179.4-177.30113.7D236 R240D236-K238 PolarHBondContact O-N 3.33Å; K238-R240 VanDerWaalsContact C-N 3.33Å; K238-R240 PolarHBondContact O-N 2.89Å
239G81.1Confident90.7Very high38 Ų3875.3 Ų75.339%0.39239%0.385SS..SBendtrans78.312-179.300000114.9Q216 D236 K237Q216-G239 PolarHBondContact NE2-O 2.87Å; D236-G239 PolarHBondContact O-N 3.46Å; K237-G239 VanDerWaalsContact C-N 3.34Å
240R87.6Confident90.6Very high154 Ų15473.2 Ų73.258%0.58137%0.371SS*.PPolyproline II helixtrans-91.1131.8178.8-61.8-170.9-55.1-177.54.6110.5V235 D236 K238V235-R240 WeakPolarHBondContact CA-O 3.33Å; D236-R240 PolarHBondContact N-O 3.13Å; D236-R240 IonicContact OD2-NH2 3.64Å; K238-R240 VanDerWaalsContact C-N 3.33Å; K238-R240 PolarHBondContact O-N 2.89Å
241A90.3Very high90.7Very high20 Ų2071.1 Ų71.117%0.16536%0.361CS..BIsolated β-bridgetrans-72.8130.7172.700000111S214 K215 Q216 P233 Q234 S243S214-A241 WeakPolarHBondContact O-CB 3.48Å; K215-A241 HydrophobicContact CB-CB 4.25Å; K215-A241 WeakPolarHBondContact O-CB 3.43Å; Q216-A241 HydrophobicContact CG-CB 3.91Å; P233-A241 HydrophobicContact CB-CB 4.15Å; P233-A241 HydrophobicContact CG-CB 3.81Å; Q234-A241 CarbonylContact O-C 3.56Å; Q234-A241 WeakPolarHBondContact O-CA 3.29Å; A241-S243 PolarHBondContact O-N 2.99Å
242V91.1Very high90.7Very high64 Ų6470.2 Ų70.239%0.38836%0.359SS..PPolyproline II helixtrans-74123.4167.1-178.60000107.9P233 Q234 W244P233-V242 VanDerWaalsContact CB-O 3.22Å; P233-V242 WeakPolarHBondContact CB-O 3.12Å; Q234-V242 HydrophobicContact CB-CB 4.47Å; Q234-V242 HydrophobicContact CB-CG2 4.39Å; Q234-V242 PolarHBondContact O-N 2.97Å; V242-W244 PolarHBondContact O-N 3.26Å
243S86.6Confident90.7Very high117 Ų11775.8 Ų75.882%0.81838%0.38SS*.PPolyproline II helixtrans-54.1125.9-179.1-172.30000110.7A241A241-S243 PolarHBondContact O-N 2.99Å
244W90Very high90.7Very high45 Ų4578.2 Ų78.217%0.1739%0.391CS..  trans-142.4141-179.4-174.171.7000110.2R232 P233 V242 F246 N250 I251 E254 F255R232-W244 HydrophobicContact CB-CD2 4.05Å; R232-W244 HydrophobicContact CB-CE3 3.66Å; R232-W244 HydrophobicContact CB-CH2 3.96Å; R232-W244 HydrophobicContact CB-CZ2 4.36Å; R232-W244 HydrophobicContact CB-CZ3 3.6Å; R232-W244 HydrophobicContact CG-CD2 4.3Å; R232-W244 HydrophobicContact CG-CE3 4.35Å; R232-W244 HydrophobicContact CG-CH2 4.11Å; R232-W244 HydrophobicContact CG-CZ2 4.1Å; R232-W244 HydrophobicContact CG-CZ3 4.24Å; P233-W244 HydrophobicContact CB-CB 4.33Å; V242-W244 PolarHBondContact O-N 3.26Å; W244-F246 AromaticContact CE3-CD1 3.95Å; W244-F246 HydrophobicContact CE3-CD1 3.95Å; W244-F246 AromaticContact CE3-CD2 3.98Å; W244-F246 HydrophobicContact CE3-CD2 3.98Å; W244-F246 AromaticContact CE3-CE1 3.84Å; W244-F246 HydrophobicContact CE3-CE1 3.84Å; W244-F246 AromaticContact CE3-CE2 3.87Å; W244-F246 HydrophobicContact CE3-CE2 3.87Å; W244-F246 HydrophobicContact CE3-CG 4Å; W244-F246 AromaticContact CE3-CZ 3.78Å; W244-F246 HydrophobicContact CE3-CZ 3.78Å; W244-F246 AromaticContact CZ3-CD1 3.46Å; W244-F246 HydrophobicContact CZ3-CD1 3.46Å; W244-F246 VanDerWaalsContact CZ3-CD1 3.46Å; W244-F246 HydrophobicContact CZ3-CD2 4.32Å; W244-F246 AromaticContact CZ3-CE1 3.5Å; W244-F246 HydrophobicContact CZ3-CE1 3.5Å; W244-F246 VanDerWaalsContact CZ3-CE1 3.5Å; W244-F246 HydrophobicContact CZ3-CE2 4.36Å; W244-F246 AromaticContact CZ3-CG 3.88Å; W244-F246 HydrophobicContact CZ3-CG 3.88Å; W244-F246 AromaticContact CZ3-CZ 3.95Å; W244-F246 HydrophobicContact CZ3-CZ 3.95Å; W244-N250 HydrophobicContact CZ2-CB 3.84Å; W244-I251 HydrophobicContact CH2-CB 4.49Å; W244-I251 HydrophobicContact CH2-CG1 3.57Å; W244-I251 HydrophobicContact CZ2-CG1 4.49Å; W244-I251 HydrophobicContact CZ3-CG1 4.23Å; W244-E254 HydrophobicContact CZ2-CB 4.29Å; W244-E254 HydrophobicContact CZ2-CG 3.93Å; W244-F255 HydrophobicContact CH2-CE2 4.19Å
245S88.8Confident90.8Very high70 Ų7073.5 Ų73.549%0.4937%0.369SS..  trans-95119.3-176.5-60.40000110.8T247 N250S245-T247 VanDerWaalsContact C-N 3.29Å; S245-T247 PolarHBondContact O-N 3.27Å; S245-N250 PolarHBondContact O-ND2 3.45Å
246F91.1Very high91Very high34 Ų3475.1 Ų75.115%0.14938%0.376CS..  trans-79.768.2178.5-71.7-94.9000112F173 P218 L220 W244F173-F246 HydrophobicContact CD1-CD1 4.35Å; F173-F246 HydrophobicContact CD2-CB 3.65Å; F173-F246 HydrophobicContact CD2-CD1 4.05Å; F173-F246 HydrophobicContact CD2-CG 4.21Å; F173-F246 HydrophobicContact CE1-CD1 4.23Å; F173-F246 HydrophobicContact CE2-CB 4.03Å; F173-F246 AromaticContact CE2-CD1 3.96Å; F173-F246 HydrophobicContact CE2-CD1 3.96Å; F173-F246 HydrophobicContact CE2-CG 4.47Å; F173-F246 HydrophobicContact CG-CB 4.3Å; F173-F246 HydrophobicContact CG-CD1 4.27Å; F173-F246 HydrophobicContact CZ-CD1 4.06Å; P218-F246 HydrophobicContact CB-CE1 4.43Å; P218-F246 HydrophobicContact CB-CZ 4.49Å; P218-F246 HydrophobicContact CG-CD1 4.06Å; P218-F246 HydrophobicContact CG-CD2 4.22Å; P218-F246 HydrophobicContact CG-CE1 3.83Å; P218-F246 HydrophobicContact CG-CE2 3.99Å; P218-F246 HydrophobicContact CG-CG 4.27Å; P218-F246 HydrophobicContact CG-CZ 3.8Å; P218-F246 WeakPolarHBondContact O-CZ 3.49Å; L220-F246 HydrophobicContact CD1-CD1 3.96Å; L220-F246 HydrophobicContact CD1-CE1 3.85Å; L220-F246 HydrophobicContact CG-CE1 4.01Å; W244-F246 AromaticContact CE3-CD1 3.95Å; W244-F246 HydrophobicContact CE3-CD1 3.95Å; W244-F246 AromaticContact CE3-CD2 3.98Å; W244-F246 HydrophobicContact CE3-CD2 3.98Å; W244-F246 AromaticContact CE3-CE1 3.84Å; W244-F246 HydrophobicContact CE3-CE1 3.84Å; W244-F246 AromaticContact CE3-CE2 3.87Å; W244-F246 HydrophobicContact CE3-CE2 3.87Å; W244-F246 HydrophobicContact CE3-CG 4Å; W244-F246 AromaticContact CE3-CZ 3.78Å; W244-F246 HydrophobicContact CE3-CZ 3.78Å; W244-F246 AromaticContact CZ3-CD1 3.46Å; W244-F246 HydrophobicContact CZ3-CD1 3.46Å; W244-F246 VanDerWaalsContact CZ3-CD1 3.46Å; W244-F246 HydrophobicContact CZ3-CD2 4.32Å; W244-F246 AromaticContact CZ3-CE1 3.5Å; W244-F246 HydrophobicContact CZ3-CE1 3.5Å; W244-F246 VanDerWaalsContact CZ3-CE1 3.5Å; W244-F246 HydrophobicContact CZ3-CE2 4.36Å; W244-F246 AromaticContact CZ3-CG 3.88Å; W244-F246 HydrophobicContact CZ3-CG 3.88Å; W244-F246 AromaticContact CZ3-CZ 3.95Å; W244-F246 HydrophobicContact CZ3-CZ 3.95Å
247T91.9Very high91.3Very high24 Ų2472 Ų7215%0.14736%0.359CS..  trans-98.3156.1170.377.30000110.6I84 S245 E249 N250 I251I84-T247 HydrophobicContact CD1-CG2 3.7Å; I84-T247 HydrophobicContact CG1-CG2 4.24Å; I84-T247 HydrophobicContact CG2-CG2 4.41Å; S245-T247 VanDerWaalsContact C-N 3.29Å; S245-T247 PolarHBondContact O-N 3.27Å; T247-E249 VanDerWaalsContact C-N 3.26Å; T247-E249 WeakPolarHBondContact CB-OE2 3.49Å; T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 PolarHBondContact OG1-OE2 2.9Å; T247-N250 PolarHBondContact O-N 2.99Å; T247-N250 PolarHBondContact OG1-N 2.94Å; T247-N250 PolarHBondContact OG1-ND2 3.27Å; T247-I251 WeakPolarHBondContact O-CD1 3.43Å; T247-I251 VanDerWaalsContact O-CG1 3.31Å; T247-I251 WeakPolarHBondContact O-CG1 3.44Å; T247-I251 PolarHBondContact O-N 3.45Å
248E92.7Very high91.7Very high59 Ų5965.1 Ų65.128%0.27633%0.333SS..Hα-helixtrans-54.6-45.3178.1-166-167.5152.700110.7V176 L180 K183 N250 I251 I252V176-E248 HydrophobicContact CG1-CB 4.18Å; L180-E248 HydrophobicContact CD2-CG 3.58Å; L180-E248 HydrophobicContact CG-CG 4.09Å; K183-E248 IonicContact NZ-OE1 3.44Å; K183-E248 PolarHBondContact NZ-OE1 3.39Å; E248-N250 PolarHBondContact O-N 3.4Å; E248-I251 PolarHBondContact O-N 3.36Å; E248-I252 HydrophobicContact CG-CD1 3.74Å; E248-I252 HydrophobicContact CG-CG1 4.42Å; E248-I252 WeakPolarHBondContact O-CB 3.48Å; E248-I252 VanDerWaalsContact O-CG1 3.26Å; E248-I252 WeakPolarHBondContact O-CG1 3.05Å; E248-I252 PolarHBondContact O-N 2.86Å; E248-I252 WeakPolarHBondContact OE1-CD1 3.33Å
249E93.4Very high92.2Very high126 Ų12662.9 Ų62.959%0.58933%0.325SS*.Hα-helixtrans-66.1-42.5-176.6-50.777.3-167.600111.7T247 I251 I252 R253T247-E249 VanDerWaalsContact C-N 3.26Å; T247-E249 WeakPolarHBondContact CB-OE2 3.49Å; T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 PolarHBondContact OG1-OE2 2.9Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.4Å; E249-I252 PolarHBondContact O-N 3.48Å; E249-R253 VanDerWaalsContact O-CB 3.26Å; E249-R253 WeakPolarHBondContact O-CB 2.97Å; E249-R253 PolarHBondContact O-N 3.3Å
250N94.4Very high92.8Very high36 Ų3662 Ų6219%0.19331%0.312CS..Hα-helixtrans-64.1-40.8177.6-76.6-18.9000110.8W244 S245 T247 E248 E254W244-N250 HydrophobicContact CZ2-CB 3.84Å; S245-N250 PolarHBondContact O-ND2 3.45Å; T247-N250 PolarHBondContact O-N 2.99Å; T247-N250 PolarHBondContact OG1-N 2.94Å; T247-N250 PolarHBondContact OG1-ND2 3.27Å; E248-N250 PolarHBondContact O-N 3.4Å; N250-E254 VanDerWaalsContact O-CB 3.23Å; N250-E254 WeakPolarHBondContact O-CB 3.42Å; N250-E254 WeakPolarHBondContact O-CG 3.43Å; N250-E254 PolarHBondContact O-N 3.28Å
251I95.9Very high93Very high2 Ų257.1 Ų57.11%0.0129%0.294CS..Hα-helixtrans-67.3-47.4178.3-64.2159.1000110.3F173 V176 L180 L220 W244 T247 E248 E249 R253 F255 L257F173-I251 HydrophobicContact CE2-CD1 3.35Å; F173-I251 HydrophobicContact CZ-CD1 3.71Å; V176-I251 HydrophobicContact CG1-CD1 4.19Å; L180-I251 HydrophobicContact CD1-CB 3.97Å; L180-I251 HydrophobicContact CD1-CD1 3.77Å; L180-I251 HydrophobicContact CD1-CG1 4.47Å; L180-I251 HydrophobicContact CD1-CG2 3.63Å; L220-I251 HydrophobicContact CD1-CD1 4.01Å; L220-I251 HydrophobicContact CD1-CG1 4.01Å; L220-I251 HydrophobicContact CD1-CG2 4.36Å; W244-I251 HydrophobicContact CH2-CB 4.49Å; W244-I251 HydrophobicContact CH2-CG1 3.57Å; W244-I251 HydrophobicContact CZ2-CG1 4.49Å; W244-I251 HydrophobicContact CZ3-CG1 4.23Å; T247-I251 WeakPolarHBondContact O-CD1 3.43Å; T247-I251 VanDerWaalsContact O-CG1 3.31Å; T247-I251 WeakPolarHBondContact O-CG1 3.44Å; T247-I251 PolarHBondContact O-N 3.45Å; E248-I251 PolarHBondContact O-N 3.36Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.4Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 3.32Å; I251-F255 HydrophobicContact CG2-CD2 3.95Å; I251-F255 HydrophobicContact CG2-CE2 4.47Å; I251-F255 WeakPolarHBondContact O-CB 3.5Å; I251-F255 WeakPolarHBondContact O-CD2 3.1Å; I251-F255 PolarHBondContact O-N 3.3Å; I251-L257 HydrophobicContact CG2-CD1 4.03Å
252I95.9Very high93.1Very high25 Ų2561.6 Ų61.613%0.12831%0.311CS..Hα-helixtrans-56.6-45.6178.2-70.8168.2000110.9L180 Y184 E248 E249 N256 L257L180-I252 HydrophobicContact CD2-CD1 4.13Å; L180-I252 HydrophobicContact CD2-CG1 3.84Å; Y184-I252 HydrophobicContact CE2-CD1 4.04Å; Y184-I252 HydrophobicContact CE2-CG1 3.99Å; E248-I252 HydrophobicContact CG-CD1 3.74Å; E248-I252 HydrophobicContact CG-CG1 4.42Å; E248-I252 WeakPolarHBondContact O-CB 3.48Å; E248-I252 VanDerWaalsContact O-CG1 3.26Å; E248-I252 WeakPolarHBondContact O-CG1 3.05Å; E248-I252 PolarHBondContact O-N 2.86Å; E248-I252 WeakPolarHBondContact OE1-CD1 3.33Å; E249-I252 PolarHBondContact O-N 3.48Å; I252-N256 WeakPolarHBondContact O-CA 3.19Å; I252-N256 PolarHBondContact O-N 2.81Å; I252-N256 VanDerWaalsContact O-N 3.14Å; I252-L257 HydrophobicContact CG1-CD1 4Å; I252-L257 PolarHBondContact O-N 3.42Å
253R95.3Very high93.2Very high155 Ų15565 Ų6559%0.58532%0.32SS*.Hα-helixtrans-71.1-49.8-178.1-173.2-177.568.1-173.3-3.3112.5E249 I251 N256E249-R253 VanDerWaalsContact O-CB 3.26Å; E249-R253 WeakPolarHBondContact O-CB 2.97Å; E249-R253 PolarHBondContact O-N 3.3Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 3.32Å; R253-N256 PolarHBondContact O-N 3.18Å; R253-N256 PolarHBondContact O-OD1 3.47Å; R253-N256 VanDerWaalsContact O-OD1 3.04Å
254E95.3Very high93.3Very high55 Ų5559.8 Ų59.826%0.25729%0.285SS..Hα-helixtrans-70-39.8-174.7-69.1-69.2153.200112.1M230 R232 W244 N250 N256M230-E254 WeakPolarHBondContact CE-O 3.39Å; R232-E254 IonicContact CZ-OE2 3.9Å; R232-E254 IonicContact NE-OE2 2.88Å; R232-E254 IonicContact NH2-OE2 2.88Å; R232-E254 PolarHBondContact NH2-OE2 2.9Å; W244-E254 HydrophobicContact CZ2-CB 4.29Å; W244-E254 HydrophobicContact CZ2-CG 3.93Å; N250-E254 VanDerWaalsContact O-CB 3.23Å; N250-E254 WeakPolarHBondContact O-CB 3.42Å; N250-E254 WeakPolarHBondContact O-CG 3.43Å; N250-E254 PolarHBondContact O-N 3.28Å; E254-N256 VanDerWaalsContact C-N 3.32Å
255F95.4Very high93.2Very high3 Ų362.2 Ų62.21%0.01330%0.296CS..THydrogen-bonded Turntrans-88.72.1179.1-69.4-96.6000113L220 L222 M230 R232 W244 I251 L257 L260L220-F255 HydrophobicContact CB-CE1 4.48Å; L220-F255 HydrophobicContact CB-CE2 4.27Å; L220-F255 HydrophobicContact CB-CZ 3.71Å; L220-F255 HydrophobicContact CD1-CE2 4.32Å; L222-F255 HydrophobicContact CB-CD1 3.93Å; L222-F255 HydrophobicContact CB-CE1 3.99Å; M230-F255 HydrophobicContact CE-CD1 3.92Å; M230-F255 HydrophobicContact CE-CD2 4.29Å; M230-F255 HydrophobicContact CE-CE1 3.98Å; M230-F255 HydrophobicContact CE-CE2 4.35Å; M230-F255 HydrophobicContact CE-CG 4.09Å; M230-F255 HydrophobicContact CE-CZ 4.19Å; M230-F255 HydrophobicContact CG-CD1 4.14Å; M230-F255 HydrophobicContact CG-CE1 4.07Å; M230-F255 HydrophobicContact SD-CD1 3.86Å; M230-F255 HydrophobicContact SD-CE1 4.24Å; M230-F255 HydrophobicContact SD-CG 4.32Å; R232-F255 HydrophobicContact CB-CE2 4.09Å; R232-F255 HydrophobicContact CB-CZ 4.07Å; R232-F255 HydrophobicContact CG-CE2 3.78Å; R232-F255 HydrophobicContact CG-CZ 3.94Å; W244-F255 HydrophobicContact CH2-CE2 4.19Å; I251-F255 HydrophobicContact CG2-CD2 3.95Å; I251-F255 HydrophobicContact CG2-CE2 4.47Å; I251-F255 WeakPolarHBondContact O-CB 3.5Å; I251-F255 WeakPolarHBondContact O-CD2 3.1Å; I251-F255 PolarHBondContact O-N 3.3Å; F255-L257 VanDerWaalsContact C-N 3.25Å; F255-L257 HydrophobicContact CB-CD2 3.71Å; F255-L257 HydrophobicContact CB-CG 4.14Å; F255-L257 PolarHBondContact O-N 2.88Å; F255-L260 WeakPolarHBondContact O-CD1 3.04Å
256N95Very high93Very high83 Ų8365.3 Ų65.344%0.44430%0.301SS..THydrogen-bonded Turntrans47.845.4-176.8-67.3-39.9000113.1I252 R253 E254 N258 E259 L260I252-N256 WeakPolarHBondContact O-CA 3.19Å; I252-N256 PolarHBondContact O-N 2.81Å; I252-N256 VanDerWaalsContact O-N 3.14Å; R253-N256 PolarHBondContact O-N 3.18Å; R253-N256 PolarHBondContact O-OD1 3.47Å; R253-N256 VanDerWaalsContact O-OD1 3.04Å; E254-N256 VanDerWaalsContact C-N 3.32Å; N256-N258 PolarHBondContact O-N 2.86Å; N256-E259 HydrophobicContact CB-CB 4.45Å; N256-E259 PolarHBondContact O-N 2.99Å; N256-L260 PolarHBondContact O-N 3.3Å
257L94.8Very high92.6Very high0 Ų068.3 Ų68.30%032%0.318CS..Hα-helixtrans-58.3-36.2-171.4-64.7-171000113I159 L180 Y184 I251 I252 F255 E259 L260 Y261I159-L257 HydrophobicContact CD1-CD2 3.2Å; L180-L257 HydrophobicContact CD2-CD1 3.9Å; Y184-L257 HydrophobicContact CD1-CB 4.05Å; Y184-L257 HydrophobicContact CD2-CB 4.48Å; Y184-L257 HydrophobicContact CD2-CD1 4.1Å; Y184-L257 HydrophobicContact CE1-CB 3.93Å; Y184-L257 HydrophobicContact CE2-CB 4.38Å; Y184-L257 HydrophobicContact CE2-CD1 4.23Å; Y184-L257 HydrophobicContact CG-CB 4.32Å; Y184-L257 HydrophobicContact CG-CD1 4.49Å; I251-L257 HydrophobicContact CG2-CD1 4.03Å; I252-L257 HydrophobicContact CG1-CD1 4Å; I252-L257 PolarHBondContact O-N 3.42Å; F255-L257 VanDerWaalsContact C-N 3.25Å; F255-L257 HydrophobicContact CB-CD2 3.71Å; F255-L257 HydrophobicContact CB-CG 4.14Å; F255-L257 PolarHBondContact O-N 2.88Å; L257-E259 PolarHBondContact O-N 3.05Å; L257-L260 PolarHBondContact O-N 3.24Å; L257-Y261 WeakPolarHBondContact O-CB 3.31Å; L257-Y261 PolarHBondContact O-N 2.04Å
258N95Very high91.8Very high81 Ų8169.5 Ų69.543%0.43333%0.327SS..Hα-helixtrans-60.6-44.6177.7-69.9-33.9000111.9Y184 N256 Q262Y184-N258 VanDerWaalsContact CE1-OD1 3.31Å; Y184-N258 WeakPolarHBondContact CE1-OD1 3.12Å; Y184-N258 PolarHBondContact OH-OD1 3.32Å; N256-N258 PolarHBondContact O-N 2.86Å; N258-Q262 VanDerWaalsContact O-CG 3.28Å; N258-Q262 WeakPolarHBondContact O-CG 3.31Å; N258-Q262 PolarHBondContact O-N 2.65Å
259E94.3Very high91.1Very high129 Ų12975.4 Ų75.460%0.60335%0.347SS*.Hα-helixtrans-70.6-45.2179.6-63.1-173.8169.600111.3N256 L257 Y261 Q262 K263N256-E259 HydrophobicContact CB-CB 4.45Å; N256-E259 PolarHBondContact O-N 2.99Å; L257-E259 PolarHBondContact O-N 3.05Å; E259-Y261 VanDerWaalsContact C-N 3.26Å; E259-Y261 PolarHBondContact O-N 2.98Å; E259-Q262 PolarHBondContact O-N 3.46Å; E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 PolarHBondContact O-N 2.75Å
260L93.3Very high90.1Very high21 Ų2173.7 Ų73.711%0.1134%0.342CS..Hα-helixtrans-57.9-42.2177-69.4-179.5000111.4T157 L189 L222 F255 N256 L257 S264T157-L260 HydrophobicContact CG2-CD1 4.34Å; L189-L260 HydrophobicContact CD2-CB 4.28Å; L222-L260 HydrophobicContact CD1-CD1 3.99Å; L222-L260 HydrophobicContact CD2-CD1 4.24Å; F255-L260 WeakPolarHBondContact O-CD1 3.04Å; N256-L260 PolarHBondContact O-N 3.3Å; L257-L260 PolarHBondContact O-N 3.24Å; L260-S264 VanDerWaalsContact O-CB 3.25Å; L260-S264 WeakPolarHBondContact O-CB 3.32Å; L260-S264 PolarHBondContact O-N 3.46Å; L260-S264 PolarHBondContact O-OG 3.35Å
261Y93.3Very high88.8Confident51 Ų5177.4 Ų77.420%0.236%0.356CS..Hα-helixtrans-66.9-46.5178.5-176.8-112.8000112.7Y184 C186 L257 E259 K263 S264 K265Y184-Y261 HydrophobicContact CD1-CD1 4.43Å; Y184-Y261 HydrophobicContact CD1-CD2 4.23Å; Y184-Y261 AromaticContact CD1-CG 3.94Å; Y184-Y261 HydrophobicContact CD1-CG 3.94Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.27Å; Y184-Y261 VanDerWaalsContact O-CE2 3.28Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.36Å; C186-Y261 HydrophobicContact CB-CD2 4.36Å; C186-Y261 HydrophobicContact CB-CE2 3.97Å; L257-Y261 WeakPolarHBondContact O-CB 3.31Å; L257-Y261 PolarHBondContact O-N 2.04Å; E259-Y261 VanDerWaalsContact C-N 3.26Å; E259-Y261 PolarHBondContact O-N 2.98Å; Y261-K263 PolarHBondContact O-N 2.97Å; Y261-S264 PolarHBondContact O-N 3.41Å; Y261-K265 HydrophobicContact CD1-CD 4.3Å; Y261-K265 HydrophobicContact CE1-CD 3.78Å; Y261-K265 VanDerWaalsContact CE1-CE 3.47Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.32Å; Y261-K265 VanDerWaalsContact CZ-NZ 3.27Å; Y261-K265 PolarHBondContact O-N 3.22Å; Y261-K265 WeakPolarHBondContact OH-CE 3.44Å; Y261-K265 PolarHBondContact OH-NZ 3.13Å
262Q92.7Very high87.5Confident114 Ų11480.3 Ų80.353%0.53338%0.38SS..Hα-helixtrans-62.9-43.5177.2-72.6178.623.600111.6N258 E259 K265 K266N258-Q262 VanDerWaalsContact O-CG 3.28Å; N258-Q262 WeakPolarHBondContact O-CG 3.31Å; N258-Q262 PolarHBondContact O-N 2.65Å; E259-Q262 PolarHBondContact O-N 3.46Å; Q262-K265 PolarHBondContact O-N 3.26Å; Q262-K266 WeakPolarHBondContact O-CG 3.1Å; Q262-K266 PolarHBondContact O-N 3.16Å
263K91.3Very high85.9Confident134 Ų13485.1 Ų85.158%0.58340%0.402SS*.Hα-helixtrans-59.2-47.7175.7-178.1175178.1-178.80110.9E259 Y261 K265 K266 L267E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 PolarHBondContact O-N 2.75Å; Y261-K263 PolarHBondContact O-N 2.97Å; K263-K265 PolarHBondContact O-N 2.97Å; K263-K266 PolarHBondContact O-N 3.23Å; K263-L267 HydrophobicContact CG-CD1 4.02Å; K263-L267 WeakPolarHBondContact O-CD1 3.45Å; K263-L267 PolarHBondContact O-N 2.91Å
264S88.9Confident84Confident9 Ų986 Ų866%0.06341%0.411CS..Hα-helixtrans-62.3-41.7179-62.40000112.5C186 G188 L260 Y261 L267 S268C186-S264 VanDerWaalsContact SG-CB 3.53Å; G188-S264 PolarHBondContact O-OG 2.95Å; L260-S264 VanDerWaalsContact O-CB 3.25Å; L260-S264 WeakPolarHBondContact O-CB 3.32Å; L260-S264 PolarHBondContact O-N 3.46Å; L260-S264 PolarHBondContact O-OG 3.35Å; Y261-S264 PolarHBondContact O-N 3.41Å; S264-L267 PolarHBondContact O-N 2.86Å; S264-S268 PolarHBondContact O-N 2.9Å
265K87.6Confident82.1Confident95 Ų9589.9 Ų89.941%0.41343%0.432SS..Hα-helixtrans-64-43175-84.5-170.6167.1175.70112.9Y261 Q262 K263 S268 R269Y261-K265 HydrophobicContact CD1-CD 4.3Å; Y261-K265 HydrophobicContact CE1-CD 3.78Å; Y261-K265 VanDerWaalsContact CE1-CE 3.47Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.32Å; Y261-K265 VanDerWaalsContact CZ-NZ 3.27Å; Y261-K265 PolarHBondContact O-N 3.22Å; Y261-K265 WeakPolarHBondContact OH-CE 3.44Å; Y261-K265 PolarHBondContact OH-NZ 3.13Å; Q262-K265 PolarHBondContact O-N 3.26Å; K263-K265 PolarHBondContact O-N 2.97Å; K265-S268 WeakPolarHBondContact O-CB 3.23Å; K265-S268 PolarHBondContact O-N 3.4Å; K265-R269 PolarHBondContact O-N 3.01Å
266K86.3Confident79.6Confident136 Ų13694 Ų9459%0.59146%0.461SS*.Hα-helixtrans-60.7-46176.7-73.2176-178.5-179.90111.3Q262 K263 S268 R269 N270Q262-K266 WeakPolarHBondContact O-CG 3.1Å; Q262-K266 PolarHBondContact O-N 3.16Å; K263-K266 PolarHBondContact O-N 3.23Å; K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 PolarHBondContact O-N 2.87Å; K266-R269 PolarHBondContact O-N 2.88Å; K266-N270 VanDerWaalsContact O-CG 3.28Å; K266-N270 PolarHBondContact O-N 3.23Å; K266-N270 PolarHBondContact O-OD1 3.08Å
267L81.3Confident77.3Confident96 Ų9694.8 Ų94.850%0.50347%0.471SS..Hα-helixtrans-57.1-40.3173.9-94.9133.8000112.5K263 S264 K271K263-L267 HydrophobicContact CG-CD1 4.02Å; K263-L267 WeakPolarHBondContact O-CD1 3.45Å; K263-L267 PolarHBondContact O-N 2.91Å; S264-L267 PolarHBondContact O-N 2.86Å; L267-K271 WeakPolarHBondContact O-CB 3.05Å; L267-K271 PolarHBondContact O-N 3.4Å
268S76.3Confident75.1Confident49 Ų49100.4 Ų100.434%0.34351%0.51SS..Hα-helixtrans-68.9-39.3177.5-159.70000113.1S187 S264 K265 K266 K271 A272S187-S268 WeakPolarHBondContact OG-CB 3.45Å; S187-S268 PolarHBondContact OG-OG 3.03Å; S264-S268 PolarHBondContact O-N 2.9Å; K265-S268 WeakPolarHBondContact O-CB 3.23Å; K265-S268 PolarHBondContact O-N 3.4Å; K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 PolarHBondContact O-N 2.87Å; S268-K271 PolarHBondContact O-N 2.83Å; S268-A272 PolarHBondContact O-N 2.99Å; S268-A272 VanDerWaalsContact O-N 3.08Å
269R76.8Confident72.5Confident183 Ų183105 Ų10569%0.69153%0.529SS*.Hα-helixtrans-67.1-47.5177.8-75.4179116.4171.21.3111.9K265 K266 K271 A272 E273K265-R269 PolarHBondContact O-N 3.01Å; K266-R269 PolarHBondContact O-N 2.88Å; R269-K271 PolarHBondContact O-N 2.97Å; R269-K271 VanDerWaalsContact O-N 3.16Å; R269-A272 WeakPolarHBondContact O-CB 3.13Å; R269-A272 PolarHBondContact O-N 2.76Å; R269-E273 PolarHBondContact O-N 3.3Å
270N74Confident69.5Low90 Ų90108.1 Ų108.148%0.48154%0.541SS..Hα-helixtrans-60.1-29.7177-64.82.5000111.9K266 K274K266-N270 VanDerWaalsContact O-CG 3.28Å; K266-N270 PolarHBondContact O-N 3.23Å; K266-N270 PolarHBondContact O-OD1 3.08Å; N270-K274 WeakPolarHBondContact O-CB 3.45Å; N270-K274 VanDerWaalsContact O-CG 3.3Å; N270-K274 WeakPolarHBondContact O-CG 3.47Å; N270-K274 PolarHBondContact O-N 3.29Å
271K66.8Low66.9Low114 Ų114112.4 Ų112.450%0.49657%0.57SS.*Hα-helixtrans-72.8-43.2173.7-174.4178.9178.6-1730111.8L267 S268 R269 E273 K274 L275L267-K271 WeakPolarHBondContact O-CB 3.05Å; L267-K271 PolarHBondContact O-N 3.4Å; S268-K271 PolarHBondContact O-N 2.83Å; R269-K271 PolarHBondContact O-N 2.97Å; R269-K271 VanDerWaalsContact O-N 3.16Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 PolarHBondContact O-N 3.11Å; K271-K274 PolarHBondContact O-N 3.27Å; K271-L275 HydrophobicContact CD-CD1 4.34Å; K271-L275 HydrophobicContact CG-CD1 3.53Å; K271-L275 WeakPolarHBondContact O-CD1 3.48Å; K271-L275 PolarHBondContact O-N 3.12Å
272A67.6Low64.3Low63 Ų63115.9 Ų115.952%0.52160%0.599SS.*Hα-helixtrans-60.6-43.4175.800000111.3S268 R269 L275 S276S268-A272 PolarHBondContact O-N 2.99Å; S268-A272 VanDerWaalsContact O-N 3.08Å; R269-A272 WeakPolarHBondContact O-CB 3.13Å; R269-A272 PolarHBondContact O-N 2.76Å; A272-L275 PolarHBondContact O-N 3.1Å; A272-S276 PolarHBondContact O-N 3.05Å; A272-S276 PolarHBondContact O-OG 3.17Å
273E62Low61.6Low126 Ų126116.6 Ų116.659%0.58961%0.611SS**Hα-helixtrans-66.3-35.7176-73.4172.4-178.200112.9R269 K271 S276 P277R269-E273 PolarHBondContact O-N 3.3Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 PolarHBondContact O-N 3.11Å; E273-S276 WeakPolarHBondContact CA-OG 3.17Å; E273-S276 PolarHBondContact O-N 3.13Å; E273-S276 PolarHBondContact O-OG 2.88Å; E273-S276 VanDerWaalsContact O-OG 3.11Å; E273-P277 WeakPolarHBondContact O-CD 3.45Å
274K55.8Low59.1Low175 Ų175115.6 Ų115.676%0.76162%0.618SS**Hα-helixtrans-74.4-23.4174.6-80.2-176.7177.9-170.60114.2N270 K271 S276 P277N270-K274 WeakPolarHBondContact O-CB 3.45Å; N270-K274 VanDerWaalsContact O-CG 3.3Å; N270-K274 WeakPolarHBondContact O-CG 3.47Å; N270-K274 PolarHBondContact O-N 3.29Å; K271-K274 PolarHBondContact O-N 3.27Å; K274-S276 VanDerWaalsContact C-N 3.32Å; K274-P277 WeakPolarHBondContact O-CD 3.38Å
275L55.6Low56.5Low136 Ų136124.5 Ų124.571%0.71266%0.658SS**Hα-helixtrans-84.7-7.3171.9-90.5109.4000112.7K271 A272K271-L275 HydrophobicContact CD-CD1 4.34Å; K271-L275 HydrophobicContact CG-CD1 3.53Å; K271-L275 WeakPolarHBondContact O-CD1 3.48Å; K271-L275 PolarHBondContact O-N 3.12Å; A272-L275 PolarHBondContact O-N 3.1Å
276S43.5Very low53.9Low88 Ų88128.8 Ų128.862%0.61568%0.68SS**SBendtrans-112.545.4177.767.60000114.6A272 E273 K274A272-S276 PolarHBondContact O-N 3.05Å; A272-S276 PolarHBondContact O-OG 3.17Å; E273-S276 WeakPolarHBondContact CA-OG 3.17Å; E273-S276 PolarHBondContact O-N 3.13Å; E273-S276 PolarHBondContact O-OG 2.88Å; E273-S276 VanDerWaalsContact O-OG 3.11Å; K274-S276 VanDerWaalsContact C-N 3.32Å
277P46.9Very low51.3Low100 Ų100131.6 Ų131.665%0.64970%0.695SS**SBendtrans-142.286.2148.232.2-12.1000111.1E273 K274E273-P277 WeakPolarHBondContact O-CD 3.45Å; K274-P277 WeakPolarHBondContact O-CD 3.38Å
278S46.7Very low49Very low118 Ų118136 Ų13683%0.82571%0.713SS**  trans179.968.71631700000111.5
279Q40.7Very low46.8Very low177 Ų177139.6 Ų139.683%0.82774%0.736SS**  trans-157.991.1155.2-98.5170.9-1.400100.8
280F32.8Very low44.8Very low196 Ų196139.9 Ų139.986%0.8675%0.745SS**  -14914471.3-69.9-95.3000110.8
281P37.5Very low42.6Very low110 Ų110144.6 Ų144.671%0.71476%0.764SS**PPolyproline II helixtrans-70.9145.8158.113.3-1.5000109.8V283P281-V283 PolarHBondContact O-N 2.86Å
282P39.5Very low41.1Very low124 Ų124144.7 Ų144.781%0.80578%0.776SS**PPolyproline II helixtrans-65.7128.7168.427.7-29.7000108.7
283V35.8Very low39.2Very low130 Ų130145.2 Ų145.279%0.78879%0.788SS**PPolyproline II helixtrans-63.7133.1171.8179.80000107.8P281 E285P281-V283 PolarHBondContact O-N 2.86Å; V283-E285 PolarHBondContact O-N 3.32Å
284P37.7Very low37.5Very low112 Ų112143.5 Ų143.573%0.72780%0.795SS**PPolyproline II helixtrans-73.5119168.13.812.3000108.2E286P284-E286 PolarHBondContact O-N 2.92Å
285E34.8Very low36.2Very low196 Ų196142.6 Ų142.692%0.91680%0.798SS**PPolyproline II helixtrans-68.8116.5164.6-95.3173.3159.100108.3V283V283-E285 PolarHBondContact O-N 3.32Å
286E33.4Very low35.1Very low185 Ų185140.1 Ų140.186%0.86480%0.798SS**PPolyproline II helixtrans-69.4142171.4-70.4179151.800110.2P284 E288P284-E286 PolarHBondContact O-N 2.92Å; E286-E288 PolarHBondContact O-N 2.76Å
287E32.6Very low34.4Very low196 Ų196145 Ų14592%0.91681%0.811SS**PPolyproline II helixtrans-60.9125173.7-67.1172.1147.300111
288E31.5Very low33.7Very low188 Ų188145.2 Ų145.288%0.87981%0.814SS**PPolyproline II helixtrans-82139.1163.5-81.9-169.4152.900110.4E286E286-E288 PolarHBondContact O-N 2.76Å
289P31.8Very low33.1Very low125 Ų125148.8 Ų148.881%0.81282%0.815SS**PPolyproline II helixtrans-81138.3178.48.47000112.5
290E32.8Very low32.7Very low189 Ų189148.5 Ų148.588%0.88381%0.811SS**PPolyproline II helixtrans-56.5144.3166.1-70.3-179.3138.500112.8
291Q29.3Very low32.8Very low188 Ų188145.4 Ų145.488%0.87980%0.803SS**  trans-168.2162142.1-111.5-176.623.800112.2
292P34.1Very low32.7Very low116 Ų116153.3 Ų153.375%0.75383%0.827SS**  -125.7157.1-106.836.6-19.9000116.1
293G27.8Very low32.3Very low75 Ų75154.8 Ų154.877%0.77383%0.828SS**  trans89.7130.113100000121.5
294A27.1Very low32.1Very low89 Ų89156.1 Ų156.174%0.73683%0.83SS**  trans76.4136.2153.600000118.3
295D29.1Very low31.8Very low156 Ų156158.6 Ų158.683%0.83484%0.836SS**  cis-169.7161.24.7-108.5-28.4000110.4
296A31.1Very low31.6Very low84 Ų84156.4 Ų156.469%0.69483%0.831SS**  trans76.8103.7145.400000123.5
297E29.7Very low31.5Very low192 Ų192154.6 Ų154.690%0.89783%0.829SS**  71143.2109.6-118.3-179.7165.500124.4
298S31.1Very low31.5Very low103 Ų103151.8 Ų151.872%0.7282%0.823SS**  trans89.4101155.9-172.20000118.6
299K34.4Very low31.5Very low193 Ų193149.2 Ų149.284%0.83982%0.819SS**  67116.789.8-91.3-179.8-179168.90116.7
300K31.9Very low31.4Very low172 Ų172151.1 Ų151.175%0.74882%0.82SS**  trans84.1142.6130.3-120.8-170.6165.2-1620122.1
301D35.5Very low31.3Very low130 Ų130147.9 Ų147.970%0.69581%0.814SS**  trans67.9124.6161-53.1-34.7000114.8
302K34.8Very low31.5Very low277 Ų277144.3 Ų144.3100%1.20481%0.809SS**  cis-166.2045.1-149.9178.5-170.7177.60110.3

Retrieved 302 of 302 residues in 151.6 ms (Link to these results)

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