A0A060XUY9_ONCMY Loading...

Thioredoxin-related transmembrane protein 2b

AlphaFold DB (A0A674C625), UniProt , Accession A0A060XUY9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497448, Length 307 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
1M50.6Low65.2Low192 Ų192105.9 Ų105.995%0.94659%0.593SS**  0-46.40-65.5-62.9-103.200112.6L3 L4 T5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.14Å; M1-T5 VanDerWaalsContact O-OG1 3.08Å
2A55.3Low65.9Low87 Ų87112.6 Ų112.672%0.71961%0.605SS**THydrogen-bonded Turntrans-65.3-20.2-177.100000117.3P6A2-P6 WeakPolarHBondContact O-CD 3.46Å; A2-P6 VanDerWaalsContact O-CG 3.26Å; A2-P6 WeakPolarHBondContact O-CG 3.45Å
3L56.3Low66.2Low153 Ų153111.8 Ų111.880%0.80159%0.594SS**THydrogen-bonded Turntrans-94.5-21.3174.6-79162.9000113.2M1 P6 L7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.34Å; L3-P6 WeakPolarHBondContact O-CG 3.23Å; L3-L7 VanDerWaalsContact O-CB 3.31Å; L3-L7 WeakPolarHBondContact O-CB 3.15Å; L3-L7 PolarHBondContact O-N 2.92Å
4L64.1Low66.2Low98 Ų98108.8 Ų108.851%0.51358%0.578SS.*Hα-helixtrans-79.9-38.3-178-85.2155.6000111.5M1 L7 L8M1-L4 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.25Å; L4-L8 VanDerWaalsContact O-CB 3.26Å; L4-L8 WeakPolarHBondContact O-CB 3.2Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.23Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 2.6Å
5T67.4Low66Low95 Ų95107.1 Ų107.158%0.58358%0.576SS**Hα-helixtrans-60.5-48.5175.125.10000113.9M1 L7 L8 A9M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.14Å; M1-T5 VanDerWaalsContact O-OG1 3.08Å; T5-L7 VanDerWaalsContact C-N 3.33Å; T5-L7 PolarHBondContact O-N 3.25Å; T5-L8 PolarHBondContact O-N 2.65Å; T5-A9 VanDerWaalsContact O-CB 3.28Å; T5-A9 WeakPolarHBondContact O-CB 3.29Å; T5-A9 PolarHBondContact O-N 3.04Å
6P65.8Low65.9Low70 Ų70109.2 Ų109.246%0.45558%0.581SS.*Hα-helixtrans-68.3-32.8175.624.7-32.8000112.3A2 L3 F10A2-P6 WeakPolarHBondContact O-CD 3.46Å; A2-P6 VanDerWaalsContact O-CG 3.26Å; A2-P6 WeakPolarHBondContact O-CG 3.45Å; L3-P6 WeakPolarHBondContact O-CG 3.23Å; P6-F10 WeakPolarHBondContact O-CB 3.47Å; P6-F10 PolarHBondContact O-N 2.68Å
7L72.5Confident65.8Low101 Ų101105.9 Ų105.953%0.52957%0.566SS.*Hα-helixtrans-67.9-42.6176-163106.6000111.7L3 L4 T5 F10 L11L3-L7 VanDerWaalsContact O-CB 3.31Å; L3-L7 WeakPolarHBondContact O-CB 3.15Å; L3-L7 PolarHBondContact O-N 2.92Å; L4-L7 PolarHBondContact O-N 3.25Å; T5-L7 VanDerWaalsContact C-N 3.33Å; T5-L7 PolarHBondContact O-N 3.25Å; L7-F10 PolarHBondContact O-N 2.94Å; L7-L11 HydrophobicContact CD2-CD1 4.13Å; L7-L11 HydrophobicContact CG-CD1 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.22Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.69Å
8L72.8Confident65.5Low107 Ų107108.3 Ų108.356%0.5657%0.567SS**Hα-helixtrans-69-40.5176.2-75.3164.4000111.8L4 T5 F10 L11 Y12L4-L8 VanDerWaalsContact O-CB 3.26Å; L4-L8 WeakPolarHBondContact O-CB 3.2Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.23Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 2.6Å; T5-L8 PolarHBondContact O-N 2.65Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 2.81Å; L8-Y12 WeakPolarHBondContact O-CB 3.23Å; L8-Y12 PolarHBondContact O-N 2.91Å
9A68.7Low65.4Low50 Ų50111.4 Ų111.441%0.41358%0.575SS.*Hα-helixtrans-62.3-42172.700000111.3T5 Y12 H13T5-A9 VanDerWaalsContact O-CB 3.28Å; T5-A9 WeakPolarHBondContact O-CB 3.29Å; T5-A9 PolarHBondContact O-N 3.04Å; A9-Y12 PolarHBondContact O-N 3.39Å; A9-H13 PolarHBondContact O-CD2 3.49Å; A9-H13 PolarHBondContact O-N 3.09Å
10F70.3Confident65.3Low121 Ų121108.2 Ų108.253%0.53156%0.555SS.*Hα-helixtrans-62.4-44.5174.4179.5-100.3000112.2P6 L7 L8 Y12 H13 L14P6-F10 WeakPolarHBondContact O-CB 3.47Å; P6-F10 PolarHBondContact O-N 2.68Å; L7-F10 PolarHBondContact O-N 2.94Å; L8-F10 VanDerWaalsContact C-N 3.33Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3.48Å; F10-H13 PolarHBondContact O-N 2.77Å; F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CE1-CD1 3.35Å; F10-L14 HydrophobicContact CZ-CD1 3.89Å; F10-L14 PolarHBondContact O-N 3.2Å
11L73.2Confident65.2Low91 Ų91107 Ų10748%0.47655%0.55SS.*Hα-helixtrans-65.1-34.5176.4-72.6169.3000112.5L7 L8 L14L7-L11 HydrophobicContact CD2-CD1 4.13Å; L7-L11 HydrophobicContact CG-CD1 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.22Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.69Å; L8-L11 PolarHBondContact O-N 2.81Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.37Å
12Y73.8Confident65.9Low186 Ų186102 Ų10273%0.72953%0.526SS*.Hα-helixtrans-68.9-41.1176.3-174.9-99.5000112.2L8 A9 F10 L14 P15L8-Y12 WeakPolarHBondContact O-CB 3.23Å; L8-Y12 PolarHBondContact O-N 2.91Å; A9-Y12 PolarHBondContact O-N 3.39Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3.48Å; Y12-L14 VanDerWaalsContact C-N 3.31Å; Y12-P15 VanDerWaalsContact O-CD 3.29Å; Y12-P15 WeakPolarHBondContact O-CD 3.44Å
13H70.4Confident66.9Low102 Ų102100.8 Ų100.847%0.47251%0.505SS..Hα-helixtrans-82.1-6.3175.8-70.8-67.8000114A9 F10 Q16 V17A9-H13 PolarHBondContact O-CD2 3.49Å; A9-H13 PolarHBondContact O-N 3.09Å; F10-H13 PolarHBondContact O-N 2.77Å; H13-Q16 WeakPolarHBondContact O-CB 3.49Å; H13-Q16 PolarHBondContact O-N 2.97Å; H13-V17 WeakPolarHBondContact O-CG2 3.39Å; H13-V17 PolarHBondContact O-N 2.95Å
14L66Low68.2Low70 Ų7098.7 Ų98.737%0.36650%0.501SS..Hα-helixtrans-52.3-41.5-177.8-152.196.2000114.6F10 L11 Y12 Q16 V17 Y18F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CE1-CD1 3.35Å; F10-L14 HydrophobicContact CZ-CD1 3.89Å; F10-L14 PolarHBondContact O-N 3.2Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.37Å; Y12-L14 VanDerWaalsContact C-N 3.31Å; L14-Q16 VanDerWaalsContact C-N 3.26Å; L14-Q16 PolarHBondContact O-N 3.48Å; L14-V17 PolarHBondContact O-N 2.83Å; L14-Y18 VanDerWaalsContact O-CB 3.27Å; L14-Y18 WeakPolarHBondContact O-CB 3.37Å; L14-Y18 PolarHBondContact O-N 3.5Å
15P63.3Low69.3Low84 Ų8496.2 Ų96.255%0.54549%0.485SS..Hα-helixtrans-64.1-32.3179.3-20.533.1000112.9Y12 K19Y12-P15 VanDerWaalsContact O-CD 3.29Å; Y12-P15 WeakPolarHBondContact O-CD 3.44Å; P15-K19 PolarHBondContact O-N 3.32Å
16Q63.9Low70.1Confident140 Ų14092.7 Ų92.765%0.65446%0.461SS*.Hα-helixtrans-78.3-39.5178.6-163.7155.2-8.600110.9H13 L14 Y18 W20H13-Q16 WeakPolarHBondContact O-CB 3.49Å; H13-Q16 PolarHBondContact O-N 2.97Å; L14-Q16 VanDerWaalsContact C-N 3.26Å; L14-Q16 PolarHBondContact O-N 3.48Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Q16-W20 PolarHBondContact O-N 3.01Å
17V64.1Low71.2Confident54 Ų5491.7 Ų91.733%0.32745%0.453SS..Hα-helixtrans-62.5-41171.2177.70000110.9H13 L14 W20 L21H13-V17 WeakPolarHBondContact O-CG2 3.39Å; H13-V17 PolarHBondContact O-N 2.95Å; L14-V17 PolarHBondContact O-N 2.83Å; V17-W20 CarbonylContact O-C 3.59Å; V17-W20 WeakPolarHBondContact O-CB 3.38Å; V17-W20 PolarHBondContact O-N 3.22Å; V17-W20 VanDerWaalsContact O-N 3.12Å; V17-L21 HydrophobicContact CG1-CD1 4.21Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 PolarHBondContact O-N 3.28Å
18Y60.5Low72Confident148 Ų14888.6 Ų88.658%0.5844%0.442SS*.Hα-helixtrans-64.1-44.1-179.6-175.3-116.2000112.6L14 Q16 W20 L21 L22L14-Y18 VanDerWaalsContact O-CB 3.27Å; L14-Y18 WeakPolarHBondContact O-CB 3.37Å; L14-Y18 PolarHBondContact O-N 3.5Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-W20 PolarHBondContact O-N 3.24Å; Y18-L21 PolarHBondContact O-N 3.07Å; Y18-L22 HydrophobicContact CD1-CD1 3.47Å; Y18-L22 VanDerWaalsContact CD1-CD1 3.47Å; Y18-L22 HydrophobicContact CD1-CG 4.47Å; Y18-L22 HydrophobicContact CD2-CD1 3.86Å; Y18-L22 HydrophobicContact CD2-CG 4.03Å; Y18-L22 HydrophobicContact CE1-CD1 3.09Å; Y18-L22 HydrophobicContact CE1-CG 4.19Å; Y18-L22 HydrophobicContact CE2-CD1 3.51Å; Y18-L22 HydrophobicContact CE2-CD2 4.16Å; Y18-L22 HydrophobicContact CE2-CG 3.7Å; Y18-L22 HydrophobicContact CG-CD1 3.85Å; Y18-L22 HydrophobicContact CG-CG 4.4Å; Y18-L22 VanDerWaalsContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CB 3.1Å; Y18-L22 PolarHBondContact O-N 3.04Å
19K63.6Low72.9Confident167 Ų16783.5 Ų83.573%0.72642%0.416SS*.Hα-helixtrans-58.6-30.7173.3-77.2-178.6179.5179.20112.7P15P15-K19 PolarHBondContact O-N 3.32Å
20W63.9Low73.9Confident47 Ų4785.3 Ų85.318%0.17842%0.418CS..Hα-helixtrans-80.6-47176.5-175.993.4000111.7Q16 V17 Y18 L22 K23 Y26 E87 V90Q16-W20 PolarHBondContact O-N 3.01Å; V17-W20 CarbonylContact O-C 3.59Å; V17-W20 WeakPolarHBondContact O-CB 3.38Å; V17-W20 PolarHBondContact O-N 3.22Å; V17-W20 VanDerWaalsContact O-N 3.12Å; Y18-W20 PolarHBondContact O-N 3.24Å; W20-L22 PolarHBondContact O-N 3.15Å; W20-K23 WeakPolarHBondContact O-CB 3.45Å; W20-K23 WeakPolarHBondContact O-CG 3.2Å; W20-K23 PolarHBondContact O-N 3.18Å; W20-Y26 HydrophobicContact CD2-CD2 4.31Å; W20-Y26 AromaticContact CD2-CE2 3.84Å; W20-Y26 HydrophobicContact CD2-CE2 3.84Å; W20-Y26 AromaticContact CE2-CE2 3.53Å; W20-Y26 AromaticContact CE2-CZ 3.56Å; W20-Y26 HydrophobicContact CE3-CD2 4.4Å; W20-Y26 HydrophobicContact CE3-CE2 4.26Å; W20-Y26 HydrophobicContact CG-CE2 4.4Å; W20-Y26 HydrophobicContact CH2-CD1 4.24Å; W20-Y26 AromaticContact CH2-CE1 3.65Å; W20-Y26 HydrophobicContact CH2-CE1 3.65Å; W20-Y26 HydrophobicContact CH2-CE2 4.13Å; W20-Y26 AromaticContact CH2-CZ 3.61Å; W20-Y26 AromaticContact CZ2-CE1 3.75Å; W20-Y26 HydrophobicContact CZ2-CE1 3.75Å; W20-Y26 AromaticContact CZ2-CE2 3.7Å; W20-Y26 HydrophobicContact CZ2-CE2 3.7Å; W20-Y26 AromaticContact CZ2-CZ 3.21Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.43Å; W20-Y26 HydrophobicContact CZ3-CD1 4.46Å; W20-Y26 HydrophobicContact CZ3-CE1 4.28Å; W20-Y26 HydrophobicContact CZ3-CE2 4.39Å; W20-Y26 AromaticContact NE1-CE2 3.93Å; W20-Y26 VanDerWaalsContact O-CD2 3.25Å; W20-Y26 WeakPolarHBondContact O-CD2 3.48Å; W20-E87 HydrophobicContact CZ2-CB 4.24Å; W20-E87 HydrophobicContact CZ2-CG 3.79Å; W20-E87 PolarHBondContact NE1-OE1 3.41Å; W20-E87 VanDerWaalsContact NE1-OE1 3.09Å; W20-V90 HydrophobicContact CH2-CB 4.02Å; W20-V90 HydrophobicContact CH2-CG1 3.96Å; W20-V90 HydrophobicContact CH2-CG2 4.09Å; W20-V90 HydrophobicContact CZ3-CG1 4.33Å; W20-V90 HydrophobicContact CZ3-CG2 4.3Å
21L63.3Low75Confident85 Ų8585.6 Ų85.645%0.44542%0.419SS..Hα-helixtrans-70.5-29.2-174.7-144.4123.9000113.6V17 Y18 K23 Y26V17-L21 HydrophobicContact CG1-CD1 4.21Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 PolarHBondContact O-N 3.28Å; Y18-L21 PolarHBondContact O-N 3.07Å; L21-K23 PolarHBondContact O-N 3.21Å; L21-Y26 WeakPolarHBondContact O-CB 3.09Å
22L64Low75.9Confident85 Ų8582 Ų8245%0.44540%0.4SS..THydrogen-bonded Turntrans-75.6-5.7175.3-86.4168.2000114.5Y18 W20Y18-L22 HydrophobicContact CD1-CD1 3.47Å; Y18-L22 VanDerWaalsContact CD1-CD1 3.47Å; Y18-L22 HydrophobicContact CD1-CG 4.47Å; Y18-L22 HydrophobicContact CD2-CD1 3.86Å; Y18-L22 HydrophobicContact CD2-CG 4.03Å; Y18-L22 HydrophobicContact CE1-CD1 3.09Å; Y18-L22 HydrophobicContact CE1-CG 4.19Å; Y18-L22 HydrophobicContact CE2-CD1 3.51Å; Y18-L22 HydrophobicContact CE2-CD2 4.16Å; Y18-L22 HydrophobicContact CE2-CG 3.7Å; Y18-L22 HydrophobicContact CG-CD1 3.85Å; Y18-L22 HydrophobicContact CG-CG 4.4Å; Y18-L22 VanDerWaalsContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CB 3.1Å; Y18-L22 PolarHBondContact O-N 3.04Å; W20-L22 PolarHBondContact O-N 3.15Å
23K78Confident76.9Confident62 Ų6273.8 Ų73.827%0.2737%0.37SS..SBendtrans-58.5138.2175.7-70.8-173.7176.2-175.60108.5W20 L21 Y25 Y26 V27 P130W20-K23 WeakPolarHBondContact O-CB 3.45Å; W20-K23 WeakPolarHBondContact O-CG 3.2Å; W20-K23 PolarHBondContact O-N 3.18Å; L21-K23 PolarHBondContact O-N 3.21Å; K23-Y25 PolarHBondContact O-N 2.92Å; K23-Y26 HydrophobicContact CB-CD2 4.08Å; K23-Y26 PolarHBondContact O-N 3.16Å; K23-V27 PolarHBondContact O-N 3.35Å; K23-V27 VanDerWaalsContact O-N 3.16Å; K23-P130 HydrophobicContact CD-CB 3.8Å; K23-P130 HydrophobicContact CD-CG 3.82Å
24P82.9Confident78Confident110 Ų11071.6 Ų71.671%0.71436%0.361SS*.Hα-helixtrans-55.6-32.6-172.320.2-32.3000112.1A28P24-A28 WeakPolarHBondContact O-CB 3.25Å; P24-A28 PolarHBondContact O-N 2.96Å
25Y86.2Confident79.3Confident45 Ų4568.8 Ų68.818%0.17635%0.349CS..Hα-helixtrans-56.7-49.4173.2176.3-93.6000113.7K23 S29 F123 C127 K128 P129K23-Y25 PolarHBondContact O-N 2.92Å; Y25-S29 WeakPolarHBondContact O-CB 3.41Å; Y25-S29 PolarHBondContact O-N 3.35Å; Y25-S29 PolarHBondContact O-OG 3.09Å; Y25-F123 AromaticContact CD2-CE1 3.99Å; Y25-F123 HydrophobicContact CD2-CE1 3.99Å; Y25-F123 AromaticContact CD2-CZ 3.58Å; Y25-F123 HydrophobicContact CD2-CZ 3.58Å; Y25-F123 AromaticContact CE2-CE1 3.55Å; Y25-F123 HydrophobicContact CE2-CE1 3.55Å; Y25-F123 AromaticContact CE2-CZ 3.64Å; Y25-F123 HydrophobicContact CE2-CZ 3.64Å; Y25-F123 HydrophobicContact CG-CZ 4.33Å; Y25-C127 HydrophobicContact CD2-CB 4.01Å; Y25-C127 WeakPolarHBondContact CE2-O 3.43Å; Y25-K128 WeakPolarHBondContact CD2-O 3.36Å; Y25-P129 HydrophobicContact CE1-CB 4.11Å; Y25-P129 HydrophobicContact CE2-CB 4.26Å
26Y85.3Confident80.6Confident22 Ų2264.8 Ų64.89%0.08632%0.323CS..Hα-helixtrans-75.1-37.8-176.9-69.7-65.8000111.6W20 L21 K23 S29 L30 V90 I94 P130W20-Y26 HydrophobicContact CD2-CD2 4.31Å; W20-Y26 AromaticContact CD2-CE2 3.84Å; W20-Y26 HydrophobicContact CD2-CE2 3.84Å; W20-Y26 AromaticContact CE2-CE2 3.53Å; W20-Y26 AromaticContact CE2-CZ 3.56Å; W20-Y26 HydrophobicContact CE3-CD2 4.4Å; W20-Y26 HydrophobicContact CE3-CE2 4.26Å; W20-Y26 HydrophobicContact CG-CE2 4.4Å; W20-Y26 HydrophobicContact CH2-CD1 4.24Å; W20-Y26 AromaticContact CH2-CE1 3.65Å; W20-Y26 HydrophobicContact CH2-CE1 3.65Å; W20-Y26 HydrophobicContact CH2-CE2 4.13Å; W20-Y26 AromaticContact CH2-CZ 3.61Å; W20-Y26 AromaticContact CZ2-CE1 3.75Å; W20-Y26 HydrophobicContact CZ2-CE1 3.75Å; W20-Y26 AromaticContact CZ2-CE2 3.7Å; W20-Y26 HydrophobicContact CZ2-CE2 3.7Å; W20-Y26 AromaticContact CZ2-CZ 3.21Å; W20-Y26 WeakPolarHBondContact CZ2-OH 3.43Å; W20-Y26 HydrophobicContact CZ3-CD1 4.46Å; W20-Y26 HydrophobicContact CZ3-CE1 4.28Å; W20-Y26 HydrophobicContact CZ3-CE2 4.39Å; W20-Y26 AromaticContact NE1-CE2 3.93Å; W20-Y26 VanDerWaalsContact O-CD2 3.25Å; W20-Y26 WeakPolarHBondContact O-CD2 3.48Å; L21-Y26 WeakPolarHBondContact O-CB 3.09Å; K23-Y26 HydrophobicContact CB-CD2 4.08Å; K23-Y26 PolarHBondContact O-N 3.16Å; Y26-S29 PolarHBondContact O-N 3.48Å; Y26-L30 VanDerWaalsContact O-CB 3.27Å; Y26-L30 WeakPolarHBondContact O-CB 3.45Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-V90 HydrophobicContact CD1-CG1 4.33Å; Y26-V90 HydrophobicContact CE1-CG1 4.32Å; Y26-I94 HydrophobicContact CD1-CD1 4.1Å; Y26-P130 HydrophobicContact CD2-CG 4.4Å; Y26-P130 HydrophobicContact CE2-CG 3.49Å; Y26-P130 VanDerWaalsContact CE2-CG 3.49Å
27V88Confident82Confident49 Ų4961.4 Ų61.430%0.29731%0.309SS..Hα-helixtrans-61.8-52.8175.1177.60000110.7K23 S29 L30 F31K23-V27 PolarHBondContact O-N 3.35Å; K23-V27 VanDerWaalsContact O-N 3.16Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.1Å; V27-L30 WeakPolarHBondContact O-CB 3.31Å; V27-L30 PolarHBondContact O-N 3.33Å; V27-F31 HydrophobicContact CG1-CD2 3.87Å; V27-F31 HydrophobicContact CG1-CE2 3.6Å; V27-F31 WeakPolarHBondContact O-CD2 3.23Å; V27-F31 PolarHBondContact O-N 3.28Å
28A89.9Confident83.2Confident36 Ų3663.2 Ų63.230%0.29832%0.315SS..Hα-helixtrans-62.6-40.2177.400000111.8P24 L30 F31 M32 F123P24-A28 WeakPolarHBondContact O-CB 3.25Å; P24-A28 PolarHBondContact O-N 2.96Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.94Å; A28-F31 PolarHBondContact O-N 3.01Å; A28-M32 WeakPolarHBondContact O-CG 3.03Å; A28-M32 PolarHBondContact O-N 2.89Å; A28-F123 HydrophobicContact CB-CD2 4.35Å; A28-F123 HydrophobicContact CB-CE2 3.64Å
29S91.3Very high84.7Confident0 Ų058.2 Ų58.20%030%0.298CS..Hα-helixtrans-63-37.7175.1-730000113.2Y25 Y26 V27 M32 S33 K98 F123Y25-S29 WeakPolarHBondContact O-CB 3.41Å; Y25-S29 PolarHBondContact O-N 3.35Å; Y25-S29 PolarHBondContact O-OG 3.09Å; Y26-S29 PolarHBondContact O-N 3.48Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.1Å; S29-M32 PolarHBondContact O-N 2.91Å; S29-S33 WeakPolarHBondContact O-CB 3.46Å; S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 PolarHBondContact O-OG 3.17Å; S29-K98 PolarHBondContact OG-NZ 3.01Å; S29-F123 WeakPolarHBondContact OG-CE1 3.48Å; S29-F123 WeakPolarHBondContact OG-CZ 3.2Å
30L91.3Very high85.9Confident88 Ų8850.3 Ų50.346%0.46126%0.264SS..Hα-helixtrans-63.3-52.4176178.464.3000110Y26 V27 A28 M32 S33 I34Y26-L30 VanDerWaalsContact O-CB 3.27Å; Y26-L30 WeakPolarHBondContact O-CB 3.45Å; Y26-L30 PolarHBondContact O-N 3.25Å; V27-L30 WeakPolarHBondContact O-CB 3.31Å; V27-L30 PolarHBondContact O-N 3.33Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.94Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 3.3Å; L30-S33 WeakPolarHBondContact O-CA 3.48Å; L30-S33 WeakPolarHBondContact O-CB 3.47Å; L30-S33 PolarHBondContact O-N 3.01Å; L30-I34 HydrophobicContact CD1-CG2 4.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.04Å; L30-I34 PolarHBondContact O-N 3.15Å
31F92.3Very high87.1Confident127 Ų12753.2 Ų53.256%0.55728%0.278SS*.Hα-helixtrans-55.7-42.8176.1-79.6-65.6000112.6V27 A28 S33 G35V27-F31 HydrophobicContact CG1-CD2 3.87Å; V27-F31 HydrophobicContact CG1-CE2 3.6Å; V27-F31 WeakPolarHBondContact O-CD2 3.23Å; V27-F31 PolarHBondContact O-N 3.28Å; A28-F31 PolarHBondContact O-N 3.01Å; F31-S33 VanDerWaalsContact C-N 3.3Å; F31-S33 PolarHBondContact O-N 3.42Å; F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.21Å; F31-G35 PolarHBondContact O-N 2.82Å
32M93.1Very high88.4Confident15 Ų1551.3 Ų51.37%0.07427%0.27CS..Hα-helixtrans-63.8-35.7174.1-73-163.470.900112.7A28 S29 L30 K98 N101 Y116 L119 C120 F123A28-M32 WeakPolarHBondContact O-CG 3.03Å; A28-M32 PolarHBondContact O-N 2.89Å; S29-M32 PolarHBondContact O-N 2.91Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 3.3Å; M32-K98 HydrophobicContact CB-CG 4.47Å; M32-N101 PolarHBondContact O-ND2 3.04Å; M32-Y116 HydrophobicContact CE-CE2 3.9Å; M32-Y116 PolarHBondContact O-OH 3.08Å; M32-L119 HydrophobicContact CE-CB 4.3Å; M32-L119 HydrophobicContact CE-CD2 3.97Å; M32-L119 HydrophobicContact CE-CG 3.84Å; M32-L119 HydrophobicContact CG-CD2 4.47Å; M32-L119 HydrophobicContact SD-CD2 4.44Å; M32-L119 HydrophobicContact SD-CG 4.26Å; M32-C120 HydrophobicContact CE-CB 4.2Å; M32-C120 WeakPolarHBondContact CE-SG 3.31Å; M32-F123 HydrophobicContact SD-CB 3.87Å; M32-F123 HydrophobicContact SD-CD1 4.47Å; M32-F123 HydrophobicContact SD-CD2 4.05Å; M32-F123 HydrophobicContact SD-CG 3.85Å
33S93.6Very high89.4Confident13 Ų1352.2 Ų52.29%0.09128%0.28CS..Hα-helixtrans-75.1-33.2-177.7-58.50000112.6S29 L30 F31 N101S29-S33 WeakPolarHBondContact O-CB 3.46Å; S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 PolarHBondContact O-OG 3.17Å; L30-S33 WeakPolarHBondContact O-CA 3.48Å; L30-S33 WeakPolarHBondContact O-CB 3.47Å; L30-S33 PolarHBondContact O-N 3.01Å; F31-S33 VanDerWaalsContact C-N 3.3Å; F31-S33 PolarHBondContact O-N 3.42Å; S33-N101 VanDerWaalsContact C-ND2 3.25Å; S33-N101 PolarHBondContact O-ND2 3.42Å
34I93.4Very high89.7Confident56 Ų5651.3 Ų51.329%0.28729%0.289SS..Hα-helixtrans-950.1174.968176.9000112.9L30 F36 L37 M38L30-I34 HydrophobicContact CD1-CG2 4.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.04Å; L30-I34 PolarHBondContact O-N 3.15Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 3.49Å; I34-L37 PolarHBondContact O-N 3.18Å; I34-L37 VanDerWaalsContact O-N 3.08Å; I34-M38 HydrophobicContact CB-CG 4.26Å; I34-M38 HydrophobicContact CD1-CG 3.79Å; I34-M38 HydrophobicContact CD1-SD 4.12Å; I34-M38 HydrophobicContact CG1-CG 3.69Å; I34-M38 WeakPolarHBondContact O-CG 3.45Å; I34-M38 PolarHBondContact O-N 2.84Å
35G92.6Very high89.9Confident12 Ų1250.4 Ų50.412%0.12428%0.277CS..Hα-helixtrans-56.7-40.8-168.800000114F31 M38 I39F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.21Å; F31-G35 PolarHBondContact O-N 2.82Å; G35-M38 PolarHBondContact O-N 2.92Å; G35-I39 WeakPolarHBondContact O-CB 3.05Å; G35-I39 VanDerWaalsContact O-CG1 3.31Å; G35-I39 WeakPolarHBondContact O-CG1 3.39Å; G35-I39 PolarHBondContact O-N 3.06Å
36F92.4Very high89.9Confident0 Ų048.5 Ų48.50%027%0.27CS..Hα-helixtrans-62.4-47.8176.6-177.1-98.9000112I34 M38 I39 R40 F61 E65 N101 L104 F105 L108I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 3.49Å; F36-M38 VanDerWaalsContact C-N 3.35Å; F36-M38 PolarHBondContact O-N 2.93Å; F36-I39 PolarHBondContact O-N 3.48Å; F36-R40 HydrophobicContact CD1-CG 4.32Å; F36-R40 HydrophobicContact CD2-CG 4.42Å; F36-R40 HydrophobicContact CE1-CG 4.04Å; F36-R40 HydrophobicContact CE2-CG 4.13Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 WeakPolarHBondContact O-CB 3.2Å; F36-R40 WeakPolarHBondContact O-CG 3.3Å; F36-R40 PolarHBondContact O-N 2.59Å; F36-R40 VanDerWaalsContact O-N 3.07Å; F36-F61 HydrophobicContact CD1-CE1 4.16Å; F36-F61 AromaticContact CE1-CD1 3.98Å; F36-F61 HydrophobicContact CE1-CD1 3.98Å; F36-F61 AromaticContact CE1-CE1 3.74Å; F36-F61 HydrophobicContact CE1-CE1 3.74Å; F36-E65 HydrophobicContact CZ-CG 4.38Å; F36-N101 VanDerWaalsContact CB-OD1 3.3Å; F36-N101 WeakPolarHBondContact CB-OD1 3.34Å; F36-L104 HydrophobicContact CB-CD1 4.49Å; F36-L104 HydrophobicContact CD1-CB 4.06Å; F36-L104 HydrophobicContact CD1-CD1 3.71Å; F36-L104 HydrophobicContact CD1-CG 4.34Å; F36-L104 HydrophobicContact CD2-CB 3.64Å; F36-L104 HydrophobicContact CE1-CB 4.06Å; F36-L104 HydrophobicContact CE1-CD1 4.06Å; F36-L104 HydrophobicContact CE1-CD2 4.13Å; F36-L104 HydrophobicContact CE1-CG 4.31Å; F36-L104 HydrophobicContact CE2-CB 3.66Å; F36-L104 HydrophobicContact CG-CB 3.84Å; F36-L104 HydrophobicContact CG-CD1 4.05Å; F36-L104 HydrophobicContact CZ-CB 3.87Å; F36-L104 HydrophobicContact CZ-CD2 4.29Å; F36-F105 VanDerWaalsContact CA-CZ 3.46Å; F36-F105 HydrophobicContact CB-CE2 3.96Å; F36-F105 HydrophobicContact CB-CZ 3.9Å; F36-F105 AromaticContact CD2-CD1 3.88Å; F36-F105 HydrophobicContact CD2-CD1 3.88Å; F36-F105 HydrophobicContact CD2-CD2 4.41Å; F36-F105 AromaticContact CD2-CE1 3.81Å; F36-F105 HydrophobicContact CD2-CE1 3.81Å; F36-F105 HydrophobicContact CD2-CE2 4.34Å; F36-F105 HydrophobicContact CD2-CG 4.17Å; F36-F105 HydrophobicContact CD2-CZ 4.04Å; F36-F105 HydrophobicContact CE2-CD1 4.47Å; F36-F105 HydrophobicContact CG-CZ 4.48Å; F36-L108 HydrophobicContact CE2-CB 4.37Å; F36-L108 HydrophobicContact CE2-CD2 4.4Å
37L91.6Very high89.8Confident69 Ų6954.2 Ų54.236%0.36130%0.298SS..Hα-helixtrans-63-42.8178.5-59.1177000111.3I34 R40 K41 F61 L69I34-L37 PolarHBondContact O-N 3.18Å; I34-L37 VanDerWaalsContact O-N 3.08Å; L37-R40 PolarHBondContact O-N 2.97Å; L37-K41 WeakPolarHBondContact O-CB 3.49Å; L37-K41 PolarHBondContact O-N 2.91Å; L37-F61 HydrophobicContact CD2-CE1 3.79Å; L37-F61 HydrophobicContact CD2-CE2 4.24Å; L37-F61 HydrophobicContact CD2-CZ 3.43Å; L37-F61 VanDerWaalsContact CD2-CZ 3.43Å; L37-L69 HydrophobicContact CD2-CD1 4Å
38M91.1Very high89.6Confident91 Ų9160.2 Ų60.245%0.44832%0.322SS..Hα-helixtrans-62.7-48.3178.8-70.3-66.3-7700111.5I34 G35 F36 R40 K41 T42I34-M38 HydrophobicContact CB-CG 4.26Å; I34-M38 HydrophobicContact CD1-CG 3.79Å; I34-M38 HydrophobicContact CD1-SD 4.12Å; I34-M38 HydrophobicContact CG1-CG 3.69Å; I34-M38 WeakPolarHBondContact O-CG 3.45Å; I34-M38 PolarHBondContact O-N 2.84Å; G35-M38 PolarHBondContact O-N 2.92Å; F36-M38 VanDerWaalsContact C-N 3.35Å; F36-M38 PolarHBondContact O-N 2.93Å; M38-R40 VanDerWaalsContact C-N 3.29Å; M38-R40 PolarHBondContact O-N 3.4Å; M38-K41 PolarHBondContact O-N 2.78Å; M38-T42 VanDerWaalsContact O-CB 3.25Å; M38-T42 WeakPolarHBondContact O-CB 3.29Å; M38-T42 PolarHBondContact O-N 2.87Å; M38-T42 PolarHBondContact O-OG1 3.04Å
39I90.7Very high89.3Confident44 Ų4459.5 Ų59.523%0.22631%0.314CS..Hα-helixtrans-62-39179.1-71.8177.9000111.2G35 F36 I45 C46 L49 F105 M112G35-I39 WeakPolarHBondContact O-CB 3.05Å; G35-I39 VanDerWaalsContact O-CG1 3.31Å; G35-I39 WeakPolarHBondContact O-CG1 3.39Å; G35-I39 PolarHBondContact O-N 3.06Å; F36-I39 PolarHBondContact O-N 3.48Å; I39-I45 HydrophobicContact CG2-CG2 4.06Å; I39-C46 WeakPolarHBondContact O-CB 3.43Å; I39-L49 HydrophobicContact CG2-CD1 3.79Å; I39-L49 HydrophobicContact CG2-CD2 3.96Å; I39-F105 HydrophobicContact CD1-CE1 3.89Å; I39-F105 HydrophobicContact CD1-CZ 3.8Å; I39-M112 HydrophobicContact CD1-CE 4.5Å
40R89.4Confident88.7Confident0 Ų062.6 Ų62.60%034%0.335CS..Hα-helixtrans-75.7-29.1-176.9-66.4-83.6-84.6158.8-3.6113.5F36 L37 M38 C46 P58 C59 D60 F61 E65F36-R40 HydrophobicContact CD1-CG 4.32Å; F36-R40 HydrophobicContact CD2-CG 4.42Å; F36-R40 HydrophobicContact CE1-CG 4.04Å; F36-R40 HydrophobicContact CE2-CG 4.13Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 WeakPolarHBondContact O-CB 3.2Å; F36-R40 WeakPolarHBondContact O-CG 3.3Å; F36-R40 PolarHBondContact O-N 2.59Å; F36-R40 VanDerWaalsContact O-N 3.07Å; L37-R40 PolarHBondContact O-N 2.97Å; M38-R40 VanDerWaalsContact C-N 3.29Å; M38-R40 PolarHBondContact O-N 3.4Å; R40-C46 VanDerWaalsContact O-CB 3.28Å; R40-C46 WeakPolarHBondContact O-CB 2.96Å; R40-P58 WeakPolarHBondContact CD-O 3.42Å; R40-P58 PolarHBondContact NH1-O 3.25Å; R40-C59 WeakPolarHBondContact O-CA 3.25Å; R40-D60 PolarHBondContact NH1-O 3.14Å; R40-D60 PolarHBondContact NH2-O 2.88Å; R40-F61 HydrophobicContact CB-CE1 3.75Å; R40-F61 HydrophobicContact CB-CZ 4.11Å; R40-F61 HydrophobicContact CG-CE1 4.07Å; R40-E65 IonicContact CZ-OE1 3.59Å; R40-E65 IonicContact CZ-OE2 2.65Å; R40-E65 IonicContact NE-OE2 3.65Å; R40-E65 IonicContact NH2-OE1 2.65Å; R40-E65 PolarHBondContact NH2-OE1 2.87Å; R40-E65 IonicContact NH2-OE2 3.98Å; R40-E65 PolarHBondContact NH2-OE2 3.35Å
41K89.8Confident88.1Confident109 Ų10960.2 Ų60.247%0.47432%0.324SS..Hα-helixtrans-105.8-3.6-177.1-66.7-57.7-176.2-166.70115.3L37 M38 P43 C59 D60 F61L37-K41 WeakPolarHBondContact O-CB 3.49Å; L37-K41 PolarHBondContact O-N 2.91Å; M38-K41 PolarHBondContact O-N 2.78Å; K41-P43 WeakPolarHBondContact O-CD 3.29Å; K41-C59 PolarHBondContact NZ-O 2.81Å; K41-D60 IonicContact NZ-OD1 3.15Å; K41-D60 PolarHBondContact NZ-OD1 3.43Å; K41-D60 VanDerWaalsContact NZ-OD1 3.15Å; K41-F61 HydrophobicContact CD-CE2 4.28Å; K41-F61 HydrophobicContact CG-CE2 4.13Å; K41-F61 HydrophobicContact CG-CZ 4.08Å
42T89.4Confident87.3Confident45 Ų4560.7 Ų60.728%0.27633%0.328SS..SBendtrans-83.8117.1175.9-57.70000110.3M38 I45 C46M38-T42 VanDerWaalsContact O-CB 3.25Å; M38-T42 WeakPolarHBondContact O-CB 3.29Å; M38-T42 PolarHBondContact O-N 2.87Å; M38-T42 PolarHBondContact O-OG1 3.04Å; T42-I45 HydrophobicContact CG2-CD1 3.84Å; T42-I45 HydrophobicContact CG2-CG1 4.12Å; T42-I45 PolarHBondContact O-N 2.68Å; T42-C46 PolarHBondContact O-N 2.65Å; T42-C46 VanDerWaalsContact O-N 3.09Å
43P84.8Confident86.5Confident103 Ų10362.8 Ų62.867%0.66934%0.335SS*.THydrogen-bonded Turntrans-61.5145.9177.226.5-33.5000110.6K41 I45K41-P43 WeakPolarHBondContact O-CD 3.29Å; P43-I45 PolarHBondContact O-N 3.07Å
44G85.3Confident85.3Confident44 Ų4471.7 Ų71.745%0.45438%0.376SS..THydrogen-bonded Turntrans82.6-40.6-173.200000114.7
45I86.1Confident84.4Confident90 Ų9073.3 Ų73.346%0.46239%0.385SS..THydrogen-bonded Turntrans-77.5-47.7174.4-59179.2000110.2I39 T42 P43 E47 H48I39-I45 HydrophobicContact CG2-CG2 4.06Å; T42-I45 HydrophobicContact CG2-CD1 3.84Å; T42-I45 HydrophobicContact CG2-CG1 4.12Å; T42-I45 PolarHBondContact O-N 2.68Å; P43-I45 PolarHBondContact O-N 3.07Å; I45-E47 VanDerWaalsContact C-N 3.31Å; I45-E47 PolarHBondContact O-N 3.08Å; I45-H48 PolarHBondContact O-N 2.8Å
46C85.8Confident83.4Confident5 Ų575 Ų753%0.03440%0.402CS..G310 helixtrans-66.1-35-176.3740000111.9I39 R40 T42 H48 L49 P58 C59I39-C46 WeakPolarHBondContact O-CB 3.43Å; R40-C46 VanDerWaalsContact O-CB 3.28Å; R40-C46 WeakPolarHBondContact O-CB 2.96Å; T42-C46 PolarHBondContact O-N 2.65Å; T42-C46 VanDerWaalsContact O-N 3.09Å; C46-H48 VanDerWaalsContact C-N 3.29Å; C46-H48 PolarHBondContact O-N 3.26Å; C46-L49 WeakPolarHBondContact O-CB 3.43Å; C46-L49 PolarHBondContact O-N 3.37Å; C46-P58 WeakPolarHBondContact O-CB 3.49Å; C46-P58 WeakPolarHBondContact O-CG 3.5Å; C46-C59 VanDerWaalsContact C-SG 3.59Å; C46-C59 HydrophobicContact CB-CB 3.87Å; C46-C59 WeakPolarHBondContact CB-SG 3.44Å; C46-C59 WeakPolarHBondContact SG-CB 3.15Å; C46-C59 CovalentContact SG-SG 2.05Å; C46-C59 PolarHBondContact SG-SG 3.44Å
47E84.4Confident82.9Confident143 Ų14377.8 Ų77.867%0.66842%0.417SS*.G310 helixtrans-67.3-27.9179.8-67.2171.2-161.600113.4I45 L49I45-E47 VanDerWaalsContact C-N 3.31Å; I45-E47 PolarHBondContact O-N 3.08Å; E47-L49 VanDerWaalsContact C-N 3.34Å
48H84.3Confident82.4Confident174 Ų17475.3 Ų75.381%0.80641%0.405SS*.G310 helixtrans-93.55.3179.9-14976.3000113.2I45 C46I45-H48 PolarHBondContact O-N 2.8Å; C46-H48 VanDerWaalsContact C-N 3.29Å; C46-H48 PolarHBondContact O-N 3.26Å
49L82.9Confident82.1Confident22 Ų2272.3 Ų72.312%0.11539%0.393CS..  trans-80.8124-173.4-154.668.6000109.8I39 C46 E47 T51 P58 L108 M112I39-L49 HydrophobicContact CG2-CD1 3.79Å; I39-L49 HydrophobicContact CG2-CD2 3.96Å; C46-L49 WeakPolarHBondContact O-CB 3.43Å; C46-L49 PolarHBondContact O-N 3.37Å; E47-L49 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 3.35Å; L49-P58 HydrophobicContact CB-CB 3.95Å; L49-L108 HydrophobicContact CD2-CD1 4.23Å; L49-L108 HydrophobicContact CD2-CD2 3.47Å; L49-L108 VanDerWaalsContact CD2-CD2 3.47Å; L49-L108 HydrophobicContact CD2-CG 4.38Å; L49-L108 HydrophobicContact CG-CD2 4.06Å; L49-M112 HydrophobicContact CD1-CE 4.4Å
50S78.1Confident81.9Confident64 Ų6474 Ų7445%0.44840%0.403SS..  trans-67.1126.9169.456.40000109.2D109S50-D109 PolarHBondContact OG-OD2 3.16Å
51T79Confident81.8Confident39 Ų3976.8 Ų76.824%0.23942%0.415CS..  trans-124.8133.8179.2-177.20000109.4L49 R53 P58L49-T51 PolarHBondContact O-N 3.35Å; T51-R53 HydrophobicContact CG2-CB 4.45Å; T51-R53 PolarHBondContact O-N 3.25Å; T51-R53 WeakPolarHBondContact OG1-CB 3.39Å; T51-R53 PolarHBondContact OG1-N 2.99Å; T51-P58 HydrophobicContact CG2-CB 4.37Å
52Q76.6Confident81.6Confident136 Ų13672.8 Ų72.864%0.63640%0.399SS*.  trans-8512.8172.5-63.1-169.9-3.200112.3L108Q52-L108 PolarHBondContact N-O 3.24Å
53R74.7Confident81.5Confident59 Ų5980.5 Ų80.522%0.22342%0.423CS..  trans-84.8143.4-173.1-157.9-171.6168.8171.8-11.3111.9T51 D55 G56 D60 D62T51-R53 HydrophobicContact CG2-CB 4.45Å; T51-R53 PolarHBondContact O-N 3.25Å; T51-R53 WeakPolarHBondContact OG1-CB 3.39Å; T51-R53 PolarHBondContact OG1-N 2.99Å; R53-D55 WeakPolarHBondContact CD-OD1 3.37Å; R53-D55 WeakPolarHBondContact CG-OD1 3.12Å; R53-D55 IonicContact CZ-OD1 3.7Å; R53-D55 IonicContact CZ-OD2 2.62Å; R53-D55 IonicContact NE-OD1 3.36Å; R53-D55 PolarHBondContact NE-OD1 2.94Å; R53-D55 IonicContact NE-OD2 3.9Å; R53-D55 PolarHBondContact NE-OD2 2.92Å; R53-D55 IonicContact NH1-OD2 3.44Å; R53-D55 IonicContact NH2-OD1 2.82Å; R53-D55 IonicContact NH2-OD2 3.18Å; R53-D55 PolarHBondContact NH2-OD2 2.92Å; R53-D55 PolarHBondContact O-N 2.79Å; R53-G56 PolarHBondContact O-N 3.46Å; R53-D60 PolarHBondContact NH1-O 3.32Å; R53-D62 VanDerWaalsContact CZ-CB 3.46Å; R53-D62 IonicContact CZ-OD1 2.84Å; R53-D62 IonicContact NE-OD1 2.85Å; R53-D62 VanDerWaalsContact NH1-CB 3.29Å; R53-D62 IonicContact NH1-OD1 3.35Å; R53-D62 IonicContact NH2-OD1 2.78Å; R53-D62 PolarHBondContact NH2-OD1 2.99Å
54E69.3Low81.7Confident201 Ų20182.2 Ų82.294%0.93942%0.416SS*.THydrogen-bonded Turntrans-66-35.6-176.6-65.5-177.117200113.9G56E54-G56 VanDerWaalsContact C-N 3.31Å; E54-G56 PolarHBondContact O-N 3.24Å
55D73.8Confident82Confident90 Ų9080.3 Ų80.348%0.48140%0.395SS..THydrogen-bonded Turntrans-82.5-3.8-179.343-51.4000114R53 N57R53-D55 WeakPolarHBondContact CD-OD1 3.37Å; R53-D55 WeakPolarHBondContact CG-OD1 3.12Å; R53-D55 IonicContact CZ-OD1 3.7Å; R53-D55 IonicContact CZ-OD2 2.62Å; R53-D55 IonicContact NE-OD1 3.36Å; R53-D55 PolarHBondContact NE-OD1 2.94Å; R53-D55 IonicContact NE-OD2 3.9Å; R53-D55 PolarHBondContact NE-OD2 2.92Å; R53-D55 IonicContact NH1-OD2 3.44Å; R53-D55 IonicContact NH2-OD1 2.82Å; R53-D55 IonicContact NH2-OD2 3.18Å; R53-D55 PolarHBondContact NH2-OD2 2.92Å; R53-D55 PolarHBondContact O-N 2.79Å; D55-N57 PolarHBondContact O-N 3.13Å
56G73.1Confident82.2Confident48 Ų4878.7 Ų78.750%0.49539%0.389SS..  trans62.66.7170.300000116.1R53 E54 P58R53-G56 PolarHBondContact O-N 3.46Å; E54-G56 VanDerWaalsContact C-N 3.31Å; E54-G56 PolarHBondContact O-N 3.24Å; G56-P58 WeakPolarHBondContact O-CD 3.48Å
57N81.3Confident82.6Confident57 Ų5782.5 Ų82.531%0.30541%0.406SS..  trans-94.6107.2178.6-177-6.7000111.4D55 C59 D60D55-N57 PolarHBondContact O-N 3.13Å; N57-C59 PolarHBondContact OD1-N 3.37Å; N57-D60 PolarHBondContact ND2-OD2 3.08Å; N57-D60 PolarHBondContact OD1-N 3.28Å
58P79.6Confident83Confident18 Ų1877.6 Ų77.612%0.11738%0.384CS..SBendtrans-87.6-2.8-177.735.9-38.4000114.9R40 C46 L49 T51 G56R40-P58 WeakPolarHBondContact CD-O 3.42Å; R40-P58 PolarHBondContact NH1-O 3.25Å; C46-P58 WeakPolarHBondContact O-CB 3.49Å; C46-P58 WeakPolarHBondContact O-CG 3.5Å; L49-P58 HydrophobicContact CB-CB 3.95Å; T51-P58 HydrophobicContact CG2-CB 4.37Å; G56-P58 WeakPolarHBondContact O-CD 3.48Å
59C85.8Confident83.3Confident27 Ų2771.2 Ų71.218%0.18236%0.356CS..SBendtrans-102.7-17.8-178.3-56.90000113.5R40 K41 C46 N57R40-C59 WeakPolarHBondContact O-CA 3.25Å; K41-C59 PolarHBondContact NZ-O 2.81Å; C46-C59 VanDerWaalsContact C-SG 3.59Å; C46-C59 HydrophobicContact CB-CB 3.87Å; C46-C59 WeakPolarHBondContact CB-SG 3.44Å; C46-C59 WeakPolarHBondContact SG-CB 3.15Å; C46-C59 CovalentContact SG-SG 2.05Å; C46-C59 PolarHBondContact SG-SG 3.44Å; N57-C59 PolarHBondContact OD1-N 3.37Å
60D86Confident83.8Confident81 Ų8176.1 Ų76.143%0.43338%0.38SS..SBendtrans-104.8137.8-179.1-72.5-35.8000113.9R40 K41 R53 N57R40-D60 PolarHBondContact NH1-O 3.14Å; R40-D60 PolarHBondContact NH2-O 2.88Å; K41-D60 IonicContact NZ-OD1 3.15Å; K41-D60 PolarHBondContact NZ-OD1 3.43Å; K41-D60 VanDerWaalsContact NZ-OD1 3.15Å; R53-D60 PolarHBondContact NH1-O 3.32Å; N57-D60 PolarHBondContact ND2-OD2 3.08Å; N57-D60 PolarHBondContact OD1-N 3.28Å
61F87.4Confident84.5Confident58 Ų5879.6 Ų79.625%0.25439%0.387SS..  trans-68.2136.7-178.4-63.5-61.6000111.6F36 L37 R40 K41 E65 V66F36-F61 HydrophobicContact CD1-CE1 4.16Å; F36-F61 AromaticContact CE1-CD1 3.98Å; F36-F61 HydrophobicContact CE1-CD1 3.98Å; F36-F61 AromaticContact CE1-CE1 3.74Å; F36-F61 HydrophobicContact CE1-CE1 3.74Å; L37-F61 HydrophobicContact CD2-CE1 3.79Å; L37-F61 HydrophobicContact CD2-CE2 4.24Å; L37-F61 HydrophobicContact CD2-CZ 3.43Å; L37-F61 VanDerWaalsContact CD2-CZ 3.43Å; R40-F61 HydrophobicContact CB-CE1 3.75Å; R40-F61 HydrophobicContact CB-CZ 4.11Å; R40-F61 HydrophobicContact CG-CE1 4.07Å; K41-F61 HydrophobicContact CD-CE2 4.28Å; K41-F61 HydrophobicContact CG-CE2 4.13Å; K41-F61 HydrophobicContact CG-CZ 4.08Å; F61-E65 WeakPolarHBondContact CA-OE2 2.93Å; F61-V66 HydrophobicContact CB-CG2 3.98Å
62D86.9Confident85.1Confident25 Ų2579.1 Ų79.113%0.13438%0.383CS..  trans-74.8153.2172.1-167.721.3000110.6R53 R64 E65 V66 R107R53-D62 VanDerWaalsContact CZ-CB 3.46Å; R53-D62 IonicContact CZ-OD1 2.84Å; R53-D62 IonicContact NE-OD1 2.85Å; R53-D62 VanDerWaalsContact NH1-CB 3.29Å; R53-D62 IonicContact NH1-OD1 3.35Å; R53-D62 IonicContact NH2-OD1 2.78Å; R53-D62 PolarHBondContact NH2-OD1 2.99Å; D62-R64 PolarHBondContact O-N 2.85Å; D62-E65 HydrophobicContact CB-CB 4.26Å; D62-E65 HydrophobicContact CB-CG 3.88Å; D62-E65 PolarHBondContact N-OE2 2.93Å; D62-E65 WeakPolarHBondContact O-CB 3.42Å; D62-E65 PolarHBondContact O-N 2.9Å; D62-V66 WeakPolarHBondContact O-CG2 3.04Å; D62-V66 PolarHBondContact O-N 3.42Å; D62-R107 IonicContact OD2-CZ 2.92Å; D62-R107 IonicContact OD2-NE 2.69Å; D62-R107 IonicContact OD2-NH2 3.87Å; D62-R107 PolarHBondContact OD2-NH2 3.37Å
63W86.8Confident85.7Confident206 Ų20675.8 Ų75.878%0.7838%0.375SS*.Hα-helixtrans-56-39.1173.9-77.5109000111.8E65 V66 E67W63-E65 PolarHBondContact O-N 2.74Å; W63-V66 PolarHBondContact O-N 2.7Å; W63-E67 WeakPolarHBondContact O-CG 3.46Å; W63-E67 PolarHBondContact O-N 2.91Å
64R89.3Confident86.6Confident139 Ų13974.9 Ų74.953%0.52538%0.38SS..Hα-helixtrans-66.1-35175.1-66.8-60.8-138.5175.63.1113.3D62 E67 I68 R107D62-R64 PolarHBondContact O-N 2.85Å; R64-E67 WeakPolarHBondContact CD-OE2 3.41Å; R64-E67 IonicContact CZ-OE2 3.77Å; R64-E67 IonicContact NE-OE2 3.88Å; R64-E67 IonicContact NH1-OE2 2.84Å; R64-E67 PolarHBondContact NH1-OE2 3.03Å; R64-E67 WeakPolarHBondContact O-CB 3.49Å; R64-E67 PolarHBondContact O-N 2.98Å; R64-I68 WeakPolarHBondContact O-CD1 3.19Å; R64-I68 VanDerWaalsContact O-CG1 3.25Å; R64-I68 WeakPolarHBondContact O-CG1 3.5Å; R64-I68 PolarHBondContact O-N 3.12Å; R64-R107 VanDerWaalsContact CB-CZ 3.42Å; R64-R107 VanDerWaalsContact CB-NH2 3.31Å; R64-R107 VanDerWaalsContact CG-NH2 3.33Å
65E90.4Very high87.6Confident5 Ų569 Ų692%0.02335%0.354CS..Hα-helixtrans-69.6-39.8175.5-67.4171172.400110.7F36 R40 F61 D62 W63 I68 L69 L104F36-E65 HydrophobicContact CZ-CG 4.38Å; R40-E65 IonicContact CZ-OE1 3.59Å; R40-E65 IonicContact CZ-OE2 2.65Å; R40-E65 IonicContact NE-OE2 3.65Å; R40-E65 IonicContact NH2-OE1 2.65Å; R40-E65 PolarHBondContact NH2-OE1 2.87Å; R40-E65 IonicContact NH2-OE2 3.98Å; R40-E65 PolarHBondContact NH2-OE2 3.35Å; F61-E65 WeakPolarHBondContact CA-OE2 2.93Å; D62-E65 HydrophobicContact CB-CB 4.26Å; D62-E65 HydrophobicContact CB-CG 3.88Å; D62-E65 PolarHBondContact N-OE2 2.93Å; D62-E65 WeakPolarHBondContact O-CB 3.42Å; D62-E65 PolarHBondContact O-N 2.9Å; W63-E65 PolarHBondContact O-N 2.74Å; E65-I68 PolarHBondContact O-N 2.81Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 2.98Å; E65-L104 HydrophobicContact CB-CD2 3.93Å; E65-L104 HydrophobicContact CG-CD2 3.94Å
66V91.6Very high88.4Confident56 Ų5665.7 Ų65.734%0.33934%0.337SS..Hα-helixtrans-62.3-43.7172.8177.50000110.7F61 D62 W63 I68 L69 M70F61-V66 HydrophobicContact CB-CG2 3.98Å; D62-V66 WeakPolarHBondContact O-CG2 3.04Å; D62-V66 PolarHBondContact O-N 3.42Å; W63-V66 PolarHBondContact O-N 2.7Å; V66-I68 VanDerWaalsContact C-N 3.34Å; V66-I68 PolarHBondContact O-N 2.81Å; V66-L69 PolarHBondContact O-N 2.94Å; V66-M70 HydrophobicContact CG1-CG 4.34Å; V66-M70 WeakPolarHBondContact O-CB 3.49Å; V66-M70 VanDerWaalsContact O-CG 3.24Å; V66-M70 WeakPolarHBondContact O-CG 3.28Å; V66-M70 PolarHBondContact O-N 3.43Å
67E93.4Very high89.2Confident84 Ų8470.1 Ų70.139%0.39335%0.347SS..Hα-helixtrans-54.9-48.8172.3-76175.8175.200111W63 R64 L69 M70 F71W63-E67 WeakPolarHBondContact O-CG 3.46Å; W63-E67 PolarHBondContact O-N 2.91Å; R64-E67 WeakPolarHBondContact CD-OE2 3.41Å; R64-E67 IonicContact CZ-OE2 3.77Å; R64-E67 IonicContact NE-OE2 3.88Å; R64-E67 IonicContact NH1-OE2 2.84Å; R64-E67 PolarHBondContact NH1-OE2 3.03Å; R64-E67 WeakPolarHBondContact O-CB 3.49Å; R64-E67 PolarHBondContact O-N 2.98Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.03Å; E67-M70 WeakPolarHBondContact O-CB 3.09Å; E67-M70 PolarHBondContact O-N 2.94Å; E67-F71 HydrophobicContact CB-CD2 4.48Å; E67-F71 HydrophobicContact CB-CE2 4.37Å; E67-F71 WeakPolarHBondContact O-CD2 3.36Å; E67-F71 PolarHBondContact O-N 3.46Å
68I92.1Very high89.5Confident40 Ų4074 Ų7421%0.20537%0.365CS..Hα-helixtrans-60.2-43.4178.5-68.5162.4000111.3R64 E65 V66 M70 F71 L72 I103 L104R64-I68 WeakPolarHBondContact O-CD1 3.19Å; R64-I68 VanDerWaalsContact O-CG1 3.25Å; R64-I68 WeakPolarHBondContact O-CG1 3.5Å; R64-I68 PolarHBondContact O-N 3.12Å; E65-I68 PolarHBondContact O-N 2.81Å; V66-I68 VanDerWaalsContact C-N 3.34Å; V66-I68 PolarHBondContact O-N 2.81Å; I68-M70 VanDerWaalsContact C-N 3.34Å; I68-M70 PolarHBondContact O-N 3.39Å; I68-F71 PolarHBondContact O-N 2.88Å; I68-L72 WeakPolarHBondContact O-CB 3.16Å; I68-L72 PolarHBondContact O-N 2.93Å; I68-I103 HydrophobicContact CD1-CG2 4.26Å; I68-L104 HydrophobicContact CB-CD2 4.03Å; I68-L104 HydrophobicContact CD1-CD2 4Å; I68-L104 HydrophobicContact CG2-CD1 4.49Å; I68-L104 HydrophobicContact CG2-CD2 3.84Å; I68-L104 HydrophobicContact CG2-CG 4.04Å
69L91.9Very high89.9Confident41 Ų4178.8 Ų78.822%0.21538%0.384CS..Hα-helixtrans-66.1-35.7177.7-69.5170.8000112.2L37 E65 V66 E67 L72 S73 L104L37-L69 HydrophobicContact CD2-CD1 4Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 2.98Å; V66-L69 PolarHBondContact O-N 2.94Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.03Å; L69-L72 HydrophobicContact CD2-CD2 4.43Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 2.86Å; L69-S73 PolarHBondContact O-N 2.9Å; L69-L104 HydrophobicContact CD2-CD1 3.82Å; L69-L104 HydrophobicContact CG-CD1 4.35Å
70M92.6Very high89.9Confident125 Ų12578.2 Ų78.262%0.61638%0.379SS*.Hα-helixtrans-68.3-40.5173.2-69.9-67.8-71.700111.9V66 E67 I68 L72 S73 A74V66-M70 HydrophobicContact CG1-CG 4.34Å; V66-M70 WeakPolarHBondContact O-CB 3.49Å; V66-M70 VanDerWaalsContact O-CG 3.24Å; V66-M70 WeakPolarHBondContact O-CG 3.28Å; V66-M70 PolarHBondContact O-N 3.43Å; E67-M70 WeakPolarHBondContact O-CB 3.09Å; E67-M70 PolarHBondContact O-N 2.94Å; I68-M70 VanDerWaalsContact C-N 3.34Å; I68-M70 PolarHBondContact O-N 3.39Å; M70-L72 VanDerWaalsContact C-N 3.34Å; M70-S73 PolarHBondContact O-N 2.94Å; M70-S73 PolarHBondContact O-OG 3.33Å; M70-A74 PolarHBondContact O-N 3.07Å; M70-A74 VanDerWaalsContact O-N 3.12Å
71F92.8Very high89.9Confident137 Ų13785.3 Ų85.360%0.60140%0.4SS*.Hα-helixtrans-64.1-40.4172.6-78.6-64.8000111.8E67 I68 A74 I75E67-F71 HydrophobicContact CB-CD2 4.48Å; E67-F71 HydrophobicContact CB-CE2 4.37Å; E67-F71 WeakPolarHBondContact O-CD2 3.36Å; E67-F71 PolarHBondContact O-N 3.46Å; I68-F71 PolarHBondContact O-N 2.88Å; F71-A74 PolarHBondContact O-N 2.57Å; F71-I75 WeakPolarHBondContact O-CG1 3.21Å; F71-I75 PolarHBondContact O-N 3.49Å
72L91.4Very high89.3Confident28 Ų2892.7 Ų92.715%0.14743%0.426CS..Hα-helixtrans-57.9-49.3174.817165.4000111I68 L69 M70 A74 I75 V76 F96 A100I68-L72 WeakPolarHBondContact O-CB 3.16Å; I68-L72 PolarHBondContact O-N 2.93Å; L69-L72 HydrophobicContact CD2-CD2 4.43Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 2.86Å; M70-L72 VanDerWaalsContact C-N 3.34Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 3.4Å; L72-I75 PolarHBondContact O-N 3.13Å; L72-V76 HydrophobicContact CD1-CG2 3.84Å; L72-V76 HydrophobicContact CG-CG2 4.37Å; L72-V76 WeakPolarHBondContact O-CB 3.47Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 2.87Å; L72-F96 HydrophobicContact CD1-CB 3.72Å; L72-F96 WeakPolarHBondContact CD1-O 3.26Å; L72-A100 HydrophobicContact CB-CB 4.33Å; L72-A100 HydrophobicContact CD1-CB 3.94Å; L72-A100 HydrophobicContact CD2-CB 3.74Å; L72-A100 HydrophobicContact CG-CB 4.21Å
73S90.4Very high88.9Confident66 Ų6692.7 Ų92.746%0.46243%0.429SS..Hα-helixtrans-61.6-40.6-179.371.90000111.7L69 M70 M77L69-S73 PolarHBondContact O-N 2.9Å; M70-S73 PolarHBondContact O-N 2.94Å; M70-S73 PolarHBondContact O-OG 3.33Å; S73-M77 WeakPolarHBondContact O-CB 3.46Å; S73-M77 PolarHBondContact O-N 2.87Å
74A92.4Very high88.2Confident41 Ų4187.2 Ų87.234%0.33941%0.414SS..Hα-helixtrans-63.5-46.517500000112.7M70 F71 L72 M77 M78M70-A74 PolarHBondContact O-N 3.07Å; M70-A74 VanDerWaalsContact O-N 3.12Å; F71-A74 PolarHBondContact O-N 2.57Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 3.4Å; A74-M77 PolarHBondContact O-N 2.63Å; A74-M78 WeakPolarHBondContact O-CB 3.48Å; A74-M78 WeakPolarHBondContact O-CG 3.36Å; A74-M78 PolarHBondContact O-N 2.58Å
75I90.8Very high87.7Confident76 Ų7681.7 Ų81.739%0.3940%0.396SS..Hα-helixtrans-62.9-46178.7-70.5169.8000110.8F71 L72 M77 M78 K79 F96F71-I75 WeakPolarHBondContact O-CG1 3.21Å; F71-I75 PolarHBondContact O-N 3.49Å; L72-I75 PolarHBondContact O-N 3.13Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 2.95Å; I75-M78 PolarHBondContact O-N 3.06Å; I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CB 3.11Å; I75-K79 VanDerWaalsContact O-CG 3.32Å; I75-K79 WeakPolarHBondContact O-CG 3.41Å; I75-K79 PolarHBondContact O-N 3.48Å; I75-F96 HydrophobicContact CG2-CD1 3.91Å; I75-F96 HydrophobicContact CG2-CE1 3.93Å; I75-F96 HydrophobicContact CG2-CG 4.25Å; I75-F96 HydrophobicContact CG2-CZ 4.31Å
76V90.6Very high87.2Confident22 Ų2286.8 Ų86.813%0.13343%0.427CS..Hα-helixtrans-58.4-46.8177.1167.10000110L72 M78 K79 N80 I93 F96L72-V76 HydrophobicContact CD1-CG2 3.84Å; L72-V76 HydrophobicContact CG-CG2 4.37Å; L72-V76 WeakPolarHBondContact O-CB 3.47Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 2.87Å; V76-M78 PolarHBondContact O-N 3.1Å; V76-K79 PolarHBondContact O-N 3.48Å; V76-N80 WeakPolarHBondContact O-CB 3.33Å; V76-N80 PolarHBondContact O-N 2.87Å; V76-I93 HydrophobicContact CG1-CG1 3.66Å; V76-F96 HydrophobicContact CG2-CB 3.81Å; V76-F96 HydrophobicContact CG2-CD2 4.35Å; V76-F96 HydrophobicContact CG2-CG 4.4Å
77M88.9Confident86.6Confident141 Ų14186 Ų8670%0.69542%0.42SS*.Hα-helixtrans-61.3-46.2177.5-170.1178.37500112.1S73 A74 I75 K79 N80 R81S73-M77 WeakPolarHBondContact O-CB 3.46Å; S73-M77 PolarHBondContact O-N 2.87Å; A74-M77 PolarHBondContact O-N 2.63Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 2.95Å; M77-K79 PolarHBondContact O-N 3.08Å; M77-N80 PolarHBondContact O-N 3.13Å; M77-R81 PolarHBondContact O-N 3.46Å
78M88.5Confident86Confident139 Ų13985 Ų8569%0.68542%0.415SS*.Hα-helixtrans-63.1-40.4178.7-74.7-178.970.700112.9A74 I75 V76A74-M78 WeakPolarHBondContact O-CB 3.48Å; A74-M78 WeakPolarHBondContact O-CG 3.36Å; A74-M78 PolarHBondContact O-N 2.58Å; I75-M78 PolarHBondContact O-N 3.06Å; V76-M78 PolarHBondContact O-N 3.1Å
79K86.9Confident85.7Confident117 Ų11786.8 Ų86.851%0.50942%0.422SS..Hα-helixtrans-74.4-39.8-179.6-72.6-73.8-174.9174.50111.7I75 V76 M77 R81 R82 F96I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CB 3.11Å; I75-K79 VanDerWaalsContact O-CG 3.32Å; I75-K79 WeakPolarHBondContact O-CG 3.41Å; I75-K79 PolarHBondContact O-N 3.48Å; V76-K79 PolarHBondContact O-N 3.48Å; M77-K79 PolarHBondContact O-N 3.08Å; K79-R81 PolarHBondContact O-N 3.47Å; K79-R82 PolarHBondContact O-N 3.27Å; K79-F96 HydrophobicContact CB-CE2 3.87Å; K79-F96 HydrophobicContact CB-CZ 4.4Å; K79-F96 HydrophobicContact CD-CE2 4.41Å; K79-F96 HydrophobicContact CD-CZ 4.14Å; K79-F96 HydrophobicContact CG-CE2 3.71Å; K79-F96 HydrophobicContact CG-CZ 3.74Å
80N87.3Confident85.4Confident15 Ų1586.5 Ų86.58%0.0842%0.422CS..Hα-helixtrans-71.7-16.4-179.9-77.2-1.1000113.8V76 M77 R82 A83 H89 N92 I93V76-N80 WeakPolarHBondContact O-CB 3.33Å; V76-N80 PolarHBondContact O-N 2.87Å; M77-N80 PolarHBondContact O-N 3.13Å; N80-R82 PolarHBondContact O-N 3.02Å; N80-R82 VanDerWaalsContact O-N 3.1Å; N80-A83 WeakPolarHBondContact O-CB 3.2Å; N80-A83 PolarHBondContact O-N 2.69Å; N80-H89 WeakPolarHBondContact CB-ND1 3.2Å; N80-H89 PolarHBondContact ND2-CE1 3.27Å; N80-H89 PolarHBondContact ND2-ND1 3.34Å; N80-H89 PolarHBondContact ND2-NE2 3.48Å; N80-H89 PolarHBondContact ND2-O 2.93Å; N80-N92 WeakPolarHBondContact OD1-CB 3.39Å; N80-N92 PolarHBondContact OD1-ND2 3.49Å; N80-N92 VanDerWaalsContact OD1-ND2 3.08Å; N80-I93 WeakPolarHBondContact ND2-CG1 3.42Å
81R84.6Confident85.1Confident230 Ų23082.1 Ų82.187%0.86841%0.41SS*.THydrogen-bonded Turntrans-54.8-27169.2-175.9178.6176.9-166.40.7113.3M77 K79M77-R81 PolarHBondContact O-N 3.46Å; K79-R81 PolarHBondContact O-N 3.47Å
82R76Confident84.9Confident213 Ų21377.3 Ų77.380%0.80439%0.39SS*.THydrogen-bonded Turntrans-100.7-0.9-178.9-58.8-176.6-173.9-176.40.4113.5K79 N80 I84K79-R82 PolarHBondContact O-N 3.27Å; N80-R82 PolarHBondContact O-N 3.02Å; N80-R82 VanDerWaalsContact O-N 3.1Å; R82-I84 PolarHBondContact O-N 2.89Å
83A78.1Confident84.9Confident25 Ų2578.8 Ų78.821%0.20740%0.397CS..  trans-75.9125.5179.400000109.3N80 Q88 H89N80-A83 WeakPolarHBondContact O-CB 3.2Å; N80-A83 PolarHBondContact O-N 2.69Å; A83-Q88 HydrophobicContact CB-CB 4.3Å; A83-Q88 HydrophobicContact CB-CG 4.21Å; A83-H89 HydrophobicContact CB-CB 4.15Å
84I73.1Confident84.9Confident91 Ų9176.4 Ų76.447%0.46738%0.38SS..  trans-92.3-35.5179.8-62.2158.7000109.8R82 T247R82-I84 PolarHBondContact O-N 2.89Å; I84-T247 HydrophobicContact CD1-CG2 3.8Å; I84-T247 HydrophobicContact CG1-CG2 4.24Å; I84-T247 HydrophobicContact CG2-CG2 4.06Å
85T77.2Confident84.8Confident23 Ų2379.2 Ų79.214%0.14139%0.388CS..SBendtrans-109.4152.1-178.7650000112.6E87 Q88 H89 S172 V176T85-E87 PolarHBondContact O-N 3.45Å; T85-Q88 PolarHBondContact O-N 3.35Å; T85-Q88 PolarHBondContact OG1-N 3.01Å; T85-H89 PolarHBondContact O-N 3.36Å; T85-S172 VanDerWaalsContact CG2-O 3.26Å; T85-S172 WeakPolarHBondContact CG2-O 3.46Å; T85-V176 HydrophobicContact CG2-CG2 4.13Å
86V80.3Confident84.9Confident112 Ų11277.9 Ų77.968%0.67938%0.38SS*.Hα-helixtrans-58.8-37.3175.71790000110.7Q88 H89 V90V86-Q88 PolarHBondContact O-N 3.41Å; V86-H89 WeakPolarHBondContact O-CB 3.48Å; V86-H89 PolarHBondContact O-N 3.4Å; V86-V90 HydrophobicContact CG1-CG2 4.26Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.34Å
87E78.3Confident85.1Confident40 Ų4077.6 Ų77.619%0.18738%0.379CS..Hα-helixtrans-63-42.2179-53.6-162.7145.200111.8W20 T85 G91W20-E87 HydrophobicContact CZ2-CB 4.24Å; W20-E87 HydrophobicContact CZ2-CG 3.79Å; W20-E87 PolarHBondContact NE1-OE1 3.41Å; W20-E87 VanDerWaalsContact NE1-OE1 3.09Å; T85-E87 PolarHBondContact O-N 3.45Å; E87-G91 PolarHBondContact O-N 2.9Å
88Q81.2Confident85.3Confident63 Ų6372.1 Ų72.129%0.29435%0.351SS..Hα-helixtrans-66.9-39.6175.9-170.5171.222.700111.7A83 T85 V86 G91 N92A83-Q88 HydrophobicContact CB-CB 4.3Å; A83-Q88 HydrophobicContact CB-CG 4.21Å; T85-Q88 PolarHBondContact O-N 3.35Å; T85-Q88 PolarHBondContact OG1-N 3.01Å; V86-Q88 PolarHBondContact O-N 3.41Å; Q88-G91 PolarHBondContact O-N 3.02Å; Q88-N92 WeakPolarHBondContact O-CB 3.44Å; Q88-N92 VanDerWaalsContact O-CG 3.24Å; Q88-N92 PolarHBondContact O-N 3.13Å; Q88-N92 PolarHBondContact O-ND2 3.14Å
89H85.6Confident85.6Confident77 Ų7769.1 Ų69.136%0.35634%0.34SS..Hα-helixtrans-60.6-50.3176.7-172.5100000111.8N80 A83 T85 V86 N92 I93N80-H89 WeakPolarHBondContact CB-ND1 3.2Å; N80-H89 PolarHBondContact ND2-CE1 3.27Å; N80-H89 PolarHBondContact ND2-ND1 3.34Å; N80-H89 PolarHBondContact ND2-NE2 3.48Å; N80-H89 PolarHBondContact ND2-O 2.93Å; A83-H89 HydrophobicContact CB-CB 4.15Å; T85-H89 PolarHBondContact O-N 3.36Å; V86-H89 WeakPolarHBondContact O-CB 3.48Å; V86-H89 PolarHBondContact O-N 3.4Å; H89-N92 PolarHBondContact O-N 3.1Å; H89-I93 VanDerWaalsContact CD2-CD1 3.46Å; H89-I93 WeakPolarHBondContact CD2-CD1 3.4Å; H89-I93 WeakPolarHBondContact NE2-CD1 3.43Å; H89-I93 WeakPolarHBondContact O-CG1 3.42Å; H89-I93 PolarHBondContact O-N 3.24Å; H89-I93 VanDerWaalsContact O-N 3.16Å
90V85.8Confident85.9Confident35 Ų3563.9 Ų63.921%0.21232%0.319CS..Hα-helixtrans-65.3-42.1178.2172.30000111W20 Y26 V86 N92 I93 I94W20-V90 HydrophobicContact CH2-CB 4.02Å; W20-V90 HydrophobicContact CH2-CG1 3.96Å; W20-V90 HydrophobicContact CH2-CG2 4.09Å; W20-V90 HydrophobicContact CZ3-CG1 4.33Å; W20-V90 HydrophobicContact CZ3-CG2 4.3Å; Y26-V90 HydrophobicContact CD1-CG1 4.33Å; Y26-V90 HydrophobicContact CE1-CG1 4.32Å; V86-V90 HydrophobicContact CG1-CG2 4.26Å; V86-V90 WeakPolarHBondContact O-CG2 3.41Å; V86-V90 PolarHBondContact O-N 3.34Å; V90-N92 PolarHBondContact O-N 3.26Å; V90-I93 PolarHBondContact O-N 3.03Å; V90-I94 HydrophobicContact CG1-CD1 3.65Å; V90-I94 HydrophobicContact CG1-CG1 4.37Å; V90-I94 WeakPolarHBondContact O-CG1 3.33Å; V90-I94 PolarHBondContact O-N 3.44Å
91G86.3Confident86.3Confident34 Ų3463.4 Ų63.435%0.35132%0.316SS..Hα-helixtrans-58.8-44.6177.400000112.8E87 Q88 I94 L95E87-G91 PolarHBondContact O-N 2.9Å; Q88-G91 PolarHBondContact O-N 3.02Å; G91-I94 PolarHBondContact O-N 2.65Å; G91-L95 WeakPolarHBondContact O-CB 3.29Å; G91-L95 PolarHBondContact O-N 3.42Å
92N88.9Confident86.8Confident35 Ų3553.7 Ų53.719%0.18728%0.283CS..Hα-helixtrans-62.5-46.6175.6-73.9-20.8000111.9N80 Q88 H89 V90 I94 L95 F96N80-N92 WeakPolarHBondContact OD1-CB 3.39Å; N80-N92 PolarHBondContact OD1-ND2 3.49Å; N80-N92 VanDerWaalsContact OD1-ND2 3.08Å; Q88-N92 WeakPolarHBondContact O-CB 3.44Å; Q88-N92 VanDerWaalsContact O-CG 3.24Å; Q88-N92 PolarHBondContact O-N 3.13Å; Q88-N92 PolarHBondContact O-ND2 3.14Å; H89-N92 PolarHBondContact O-N 3.1Å; V90-N92 PolarHBondContact O-N 3.26Å; N92-I94 VanDerWaalsContact C-N 3.33Å; N92-I94 PolarHBondContact O-N 3.33Å; N92-L95 PolarHBondContact O-N 2.83Å; N92-F96 HydrophobicContact CB-CD2 4.29Å; N92-F96 HydrophobicContact CB-CE2 4.25Å; N92-F96 WeakPolarHBondContact O-CD2 3.38Å; N92-F96 PolarHBondContact O-N 2.99Å
93I91.1Very high87.7Confident59 Ų5948 Ų4830%0.30327%0.267SS..Hα-helixtrans-56.3-50.4177.8-69.3168.5000110.1V76 N80 H89 V90 L95 S97V76-I93 HydrophobicContact CG1-CG1 3.66Å; N80-I93 WeakPolarHBondContact ND2-CG1 3.42Å; H89-I93 VanDerWaalsContact CD2-CD1 3.46Å; H89-I93 WeakPolarHBondContact CD2-CD1 3.4Å; H89-I93 WeakPolarHBondContact NE2-CD1 3.43Å; H89-I93 WeakPolarHBondContact O-CG1 3.42Å; H89-I93 PolarHBondContact O-N 3.24Å; H89-I93 VanDerWaalsContact O-N 3.16Å; V90-I93 PolarHBondContact O-N 3.03Å; I93-L95 PolarHBondContact O-N 2.85Å; I93-S97 WeakPolarHBondContact O-CB 3.32Å; I93-S97 PolarHBondContact O-N 3.38Å; I93-S97 PolarHBondContact O-OG 2.87Å
94I91.3Very high88.4Confident17 Ų1746.8 Ų46.89%0.08726%0.257CS..Hα-helixtrans-60.8-46.1-179.5-70.3168.6000110.7Y26 V90 G91 N92 K98Y26-I94 HydrophobicContact CD1-CD1 4.1Å; V90-I94 HydrophobicContact CG1-CD1 3.65Å; V90-I94 HydrophobicContact CG1-CG1 4.37Å; V90-I94 WeakPolarHBondContact O-CG1 3.33Å; V90-I94 PolarHBondContact O-N 3.44Å; G91-I94 PolarHBondContact O-N 2.65Å; N92-I94 VanDerWaalsContact C-N 3.33Å; N92-I94 PolarHBondContact O-N 3.33Å; I94-K98 HydrophobicContact CG2-CD 4Å; I94-K98 WeakPolarHBondContact O-CB 3.34Å; I94-K98 VanDerWaalsContact O-CG 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.24Å; I94-K98 PolarHBondContact O-N 2.95Å
95L90.4Very high89.3Confident99 Ų9942.6 Ų42.652%0.51824%0.236SC..Hα-helixtrans-62.3-53.7-178.3178.163.4000111.6G91 N92 I93 S97 K98 V99G91-L95 WeakPolarHBondContact O-CB 3.29Å; G91-L95 PolarHBondContact O-N 3.42Å; N92-L95 PolarHBondContact O-N 2.83Å; I93-L95 PolarHBondContact O-N 2.85Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.45Å; L95-K98 PolarHBondContact O-N 3.41Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 3.04Å
96F92.6Very high90.1Very high49 Ų4945 Ų4522%0.21524%0.244CC..Hα-helixtrans-66.1-35.6-178.8-70.5-64.6000111.8L72 I75 V76 K79 N92 V99 A100L72-F96 HydrophobicContact CD1-CB 3.72Å; L72-F96 WeakPolarHBondContact CD1-O 3.26Å; I75-F96 HydrophobicContact CG2-CD1 3.91Å; I75-F96 HydrophobicContact CG2-CE1 3.93Å; I75-F96 HydrophobicContact CG2-CG 4.25Å; I75-F96 HydrophobicContact CG2-CZ 4.31Å; V76-F96 HydrophobicContact CG2-CB 3.81Å; V76-F96 HydrophobicContact CG2-CD2 4.35Å; V76-F96 HydrophobicContact CG2-CG 4.4Å; K79-F96 HydrophobicContact CB-CE2 3.87Å; K79-F96 HydrophobicContact CB-CZ 4.4Å; K79-F96 HydrophobicContact CD-CE2 4.41Å; K79-F96 HydrophobicContact CD-CZ 4.14Å; K79-F96 HydrophobicContact CG-CE2 3.71Å; K79-F96 HydrophobicContact CG-CZ 3.74Å; N92-F96 HydrophobicContact CB-CD2 4.29Å; N92-F96 HydrophobicContact CB-CE2 4.25Å; N92-F96 WeakPolarHBondContact O-CD2 3.38Å; N92-F96 PolarHBondContact O-N 2.99Å; F96-V99 PolarHBondContact O-N 3.35Å; F96-A100 WeakPolarHBondContact O-CB 3.36Å; F96-A100 PolarHBondContact O-N 3.3Å
97S94.3Very high90.5Very high16 Ų1645.2 Ų45.211%0.11223%0.233CC..Hα-helixtrans-65.4-41.9175.7-57.60000112I93 L95 A100 N101I93-S97 WeakPolarHBondContact O-CB 3.32Å; I93-S97 PolarHBondContact O-N 3.38Å; I93-S97 PolarHBondContact O-OG 2.87Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.45Å; S97-A100 PolarHBondContact O-N 2.93Å; S97-N101 WeakPolarHBondContact O-CB 3.4Å; S97-N101 PolarHBondContact O-N 3.46Å
98K94.2Very high91Very high25 Ų2543.5 Ų43.511%0.10923%0.225CC..Hα-helixtrans-61.8-44.4174.5-74.9174.9-179.1175.60111.4S29 M32 I94 L95 N101 V102S29-K98 PolarHBondContact OG-NZ 3.01Å; M32-K98 HydrophobicContact CB-CG 4.47Å; I94-K98 HydrophobicContact CG2-CD 4Å; I94-K98 WeakPolarHBondContact O-CB 3.34Å; I94-K98 VanDerWaalsContact O-CG 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.24Å; I94-K98 PolarHBondContact O-N 2.95Å; L95-K98 PolarHBondContact O-N 3.41Å; K98-N101 PolarHBondContact O-N 2.89Å; K98-V102 WeakPolarHBondContact O-CG2 3.15Å; K98-V102 PolarHBondContact O-N 3.03Å
99V93.8Very high91.4Very high76 Ų7640.9 Ų40.946%0.46121%0.213SC..Hα-helixtrans-62.2-44.8177173.40000111.4L95 F96 N101 V102 I103L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 3.04Å; F96-V99 PolarHBondContact O-N 3.35Å; V99-N101 PolarHBondContact O-N 3.26Å; V99-V102 WeakPolarHBondContact O-CB 3.31Å; V99-V102 PolarHBondContact O-N 3.06Å; V99-I103 HydrophobicContact CG1-CD1 4.42Å; V99-I103 WeakPolarHBondContact O-CG1 3.19Å; V99-I103 PolarHBondContact O-N 3.48Å
100A94.4Very high91.6Very high8 Ų841.6 Ų41.67%0.06622%0.219CC..Hα-helixtrans-62.7-42175.900000111.9L72 F96 S97 V102 I103 L104L72-A100 HydrophobicContact CB-CB 4.33Å; L72-A100 HydrophobicContact CD1-CB 3.94Å; L72-A100 HydrophobicContact CD2-CB 3.74Å; L72-A100 HydrophobicContact CG-CB 4.21Å; F96-A100 WeakPolarHBondContact O-CB 3.36Å; F96-A100 PolarHBondContact O-N 3.3Å; S97-A100 PolarHBondContact O-N 2.93Å; A100-V102 VanDerWaalsContact C-N 3.32Å; A100-V102 PolarHBondContact O-N 3.43Å; A100-I103 WeakPolarHBondContact O-CB 3.39Å; A100-I103 PolarHBondContact O-N 3.42Å; A100-I103 VanDerWaalsContact O-N 3.11Å; A100-L104 WeakPolarHBondContact O-CB 3.21Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.4Å; A100-L104 PolarHBondContact O-N 2.98Å
101N94.9Very high91.9Very high4 Ų449 Ų492%0.02124%0.242CC..Hα-helixtrans-62.3-37.5176.1-77.9-9.3000112.5M32 S33 F36 S97 K98 V99 I103 L104 F105 Y116M32-N101 PolarHBondContact O-ND2 3.04Å; S33-N101 VanDerWaalsContact C-ND2 3.25Å; S33-N101 PolarHBondContact O-ND2 3.42Å; F36-N101 VanDerWaalsContact CB-OD1 3.3Å; F36-N101 WeakPolarHBondContact CB-OD1 3.34Å; S97-N101 WeakPolarHBondContact O-CB 3.4Å; S97-N101 PolarHBondContact O-N 3.46Å; K98-N101 PolarHBondContact O-N 2.89Å; V99-N101 PolarHBondContact O-N 3.26Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å; N101-L104 PolarHBondContact O-N 3.42Å; N101-F105 HydrophobicContact CB-CD2 4.26Å; N101-F105 HydrophobicContact CB-CE2 4.22Å; N101-F105 WeakPolarHBondContact O-CB 3.44Å; N101-F105 WeakPolarHBondContact O-CD2 3.25Å; N101-F105 PolarHBondContact O-N 3.01Å; N101-Y116 HydrophobicContact CB-CD1 4.37Å; N101-Y116 HydrophobicContact CB-CE1 3.57Å; N101-Y116 HydrophobicContact CB-CE2 4.34Å; N101-Y116 WeakPolarHBondContact CB-OH 3.38Å
102V95.4Very high92.2Very high27 Ų2749.4 Ų49.416%0.16424%0.236CC..Hα-helixtrans-55-52.6171.21730000109.7K98 V99 A100 L104 F105 F106 Y116 L117K98-V102 WeakPolarHBondContact O-CG2 3.15Å; K98-V102 PolarHBondContact O-N 3.03Å; V99-V102 WeakPolarHBondContact O-CB 3.31Å; V99-V102 PolarHBondContact O-N 3.06Å; A100-V102 VanDerWaalsContact C-N 3.32Å; A100-V102 PolarHBondContact O-N 3.43Å; V102-L104 PolarHBondContact O-N 2.95Å; V102-F105 PolarHBondContact O-N 3.31Å; V102-F106 HydrophobicContact CG1-CD2 3.59Å; V102-F106 HydrophobicContact CG1-CE2 3.61Å; V102-F106 WeakPolarHBondContact O-CD2 3.32Å; V102-F106 PolarHBondContact O-N 2.91Å; V102-Y116 HydrophobicContact CB-CD1 4.4Å; V102-Y116 HydrophobicContact CG2-CD1 3.68Å; V102-Y116 HydrophobicContact CG2-CE1 3.74Å; V102-L117 HydrophobicContact CG1-CD1 4.47Å; V102-L117 HydrophobicContact CG2-CD1 4.37Å
103I93.7Very high92.4Very high92 Ų9247.8 Ų47.847%0.47223%0.227SC..Hα-helixtrans-60.4-45.2-179.1-61.3167.3000111.2I68 V99 A100 N101 F106 R107I68-I103 HydrophobicContact CD1-CG2 4.26Å; V99-I103 HydrophobicContact CG1-CD1 4.42Å; V99-I103 WeakPolarHBondContact O-CG1 3.19Å; V99-I103 PolarHBondContact O-N 3.48Å; A100-I103 WeakPolarHBondContact O-CB 3.39Å; A100-I103 PolarHBondContact O-N 3.42Å; A100-I103 VanDerWaalsContact O-N 3.11Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å; I103-F106 PolarHBondContact O-N 3.11Å; I103-R107 WeakPolarHBondContact O-CB 3.26Å; I103-R107 PolarHBondContact O-N 3.26Å
104L92.9Very high92.6Very high0 Ų049.4 Ų49.40%024%0.236CC..Hα-helixtrans-64.5-43.5-179.7-70.3167.6000112F36 E65 I68 L69 A100 N101 V102 R107 L108F36-L104 HydrophobicContact CB-CD1 4.49Å; F36-L104 HydrophobicContact CD1-CB 4.06Å; F36-L104 HydrophobicContact CD1-CD1 3.71Å; F36-L104 HydrophobicContact CD1-CG 4.34Å; F36-L104 HydrophobicContact CD2-CB 3.64Å; F36-L104 HydrophobicContact CE1-CB 4.06Å; F36-L104 HydrophobicContact CE1-CD1 4.06Å; F36-L104 HydrophobicContact CE1-CD2 4.13Å; F36-L104 HydrophobicContact CE1-CG 4.31Å; F36-L104 HydrophobicContact CE2-CB 3.66Å; F36-L104 HydrophobicContact CG-CB 3.84Å; F36-L104 HydrophobicContact CG-CD1 4.05Å; F36-L104 HydrophobicContact CZ-CB 3.87Å; F36-L104 HydrophobicContact CZ-CD2 4.29Å; E65-L104 HydrophobicContact CB-CD2 3.93Å; E65-L104 HydrophobicContact CG-CD2 3.94Å; I68-L104 HydrophobicContact CB-CD2 4.03Å; I68-L104 HydrophobicContact CD1-CD2 4Å; I68-L104 HydrophobicContact CG2-CD1 4.49Å; I68-L104 HydrophobicContact CG2-CD2 3.84Å; I68-L104 HydrophobicContact CG2-CG 4.04Å; L69-L104 HydrophobicContact CD2-CD1 3.82Å; L69-L104 HydrophobicContact CG-CD1 4.35Å; A100-L104 WeakPolarHBondContact O-CB 3.21Å; A100-L104 VanDerWaalsContact O-CG 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.4Å; A100-L104 PolarHBondContact O-N 2.98Å; N101-L104 PolarHBondContact O-N 3.42Å; V102-L104 PolarHBondContact O-N 2.95Å; L104-R107 PolarHBondContact O-N 3.17Å; L104-L108 PolarHBondContact O-N 2.97Å
105F93.5Very high92.7Very high3 Ų353.6 Ų53.61%0.01326%0.258CS..Hα-helixtrans-67.1-40.4176.4-78.9-61.5000112.4F36 I39 N101 V102 R107 L108 D109 M112 Y116F36-F105 VanDerWaalsContact CA-CZ 3.46Å; F36-F105 HydrophobicContact CB-CE2 3.96Å; F36-F105 HydrophobicContact CB-CZ 3.9Å; F36-F105 AromaticContact CD2-CD1 3.88Å; F36-F105 HydrophobicContact CD2-CD1 3.88Å; F36-F105 HydrophobicContact CD2-CD2 4.41Å; F36-F105 AromaticContact CD2-CE1 3.81Å; F36-F105 HydrophobicContact CD2-CE1 3.81Å; F36-F105 HydrophobicContact CD2-CE2 4.34Å; F36-F105 HydrophobicContact CD2-CG 4.17Å; F36-F105 HydrophobicContact CD2-CZ 4.04Å; F36-F105 HydrophobicContact CE2-CD1 4.47Å; F36-F105 HydrophobicContact CG-CZ 4.48Å; I39-F105 HydrophobicContact CD1-CE1 3.89Å; I39-F105 HydrophobicContact CD1-CZ 3.8Å; N101-F105 HydrophobicContact CB-CD2 4.26Å; N101-F105 HydrophobicContact CB-CE2 4.22Å; N101-F105 WeakPolarHBondContact O-CB 3.44Å; N101-F105 WeakPolarHBondContact O-CD2 3.25Å; N101-F105 PolarHBondContact O-N 3.01Å; V102-F105 PolarHBondContact O-N 3.31Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.41Å; F105-L108 HydrophobicContact CD1-CD2 4.41Å; F105-L108 PolarHBondContact O-N 3.36Å; F105-D109 CarbonylContact O-C 3.48Å; F105-D109 PolarHBondContact O-N 3.48Å; F105-M112 HydrophobicContact CB-CB 4.49Å; F105-M112 HydrophobicContact CD1-CB 4.11Å; F105-Y116 AromaticContact CD2-CD1 3.83Å; F105-Y116 HydrophobicContact CD2-CD1 3.83Å; F105-Y116 AromaticContact CD2-CD2 3.72Å; F105-Y116 HydrophobicContact CD2-CD2 3.72Å; F105-Y116 HydrophobicContact CD2-CE1 4.42Å; F105-Y116 HydrophobicContact CD2-CE2 4.32Å; F105-Y116 AromaticContact CD2-CG 3.44Å; F105-Y116 HydrophobicContact CD2-CG 3.44Å; F105-Y116 VanDerWaalsContact CD2-CG 3.44Å; F105-Y116 HydrophobicContact CE2-CD1 4.33Å; F105-Y116 AromaticContact CE2-CD2 3.47Å; F105-Y116 HydrophobicContact CE2-CD2 3.47Å; F105-Y116 VanDerWaalsContact CE2-CD2 3.47Å; F105-Y116 AromaticContact CE2-CE2 3.85Å; F105-Y116 HydrophobicContact CE2-CE2 3.85Å; F105-Y116 AromaticContact CE2-CG 3.74Å; F105-Y116 HydrophobicContact CE2-CG 3.74Å; F105-Y116 HydrophobicContact CG-CG 4.4Å; F105-Y116 HydrophobicContact CZ-CD2 4.44Å
106F92.8Very high93Very high73 Ų7349.4 Ų49.432%0.3224%0.236SC..Hα-helixtrans-62.1-34.5173.9-90.1-72000112.7V102 I103 I110 L114 L117V102-F106 HydrophobicContact CG1-CD2 3.59Å; V102-F106 HydrophobicContact CG1-CE2 3.61Å; V102-F106 WeakPolarHBondContact O-CD2 3.32Å; V102-F106 PolarHBondContact O-N 2.91Å; I103-F106 PolarHBondContact O-N 3.11Å; F106-I110 HydrophobicContact CD1-CG1 4.15Å; F106-I110 HydrophobicContact CE1-CG1 4.18Å; F106-L114 HydrophobicContact CE1-CD2 4.09Å; F106-L114 HydrophobicContact CE1-CG 4.03Å; F106-L114 HydrophobicContact CZ-CD2 3.94Å; F106-L114 HydrophobicContact CZ-CG 4.2Å; F106-L117 HydrophobicContact CE2-CB 4.39Å; F106-L117 HydrophobicContact CE2-CD2 4.3Å; F106-L117 HydrophobicContact CZ-CD2 4.29Å
107R88.9Confident93.1Very high118 Ų11850.1 Ų50.145%0.44524%0.241SC..Hα-helixtrans-70.1-38.6176-174.4-178171.773.310.2112.1D62 R64 I103 L104 F105D62-R107 IonicContact OD2-CZ 2.92Å; D62-R107 IonicContact OD2-NE 2.69Å; D62-R107 IonicContact OD2-NH2 3.87Å; D62-R107 PolarHBondContact OD2-NH2 3.37Å; R64-R107 VanDerWaalsContact CB-CZ 3.42Å; R64-R107 VanDerWaalsContact CB-NH2 3.31Å; R64-R107 VanDerWaalsContact CG-NH2 3.33Å; I103-R107 WeakPolarHBondContact O-CB 3.26Å; I103-R107 PolarHBondContact O-N 3.26Å; L104-R107 PolarHBondContact O-N 3.17Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.41Å
108L88.4Confident93.2Very high3 Ų353.3 Ų53.32%0.01626%0.26CS..Hα-helixtrans-68-54.7178.1174.972000111.7F36 L49 Q52 L104 F105F36-L108 HydrophobicContact CE2-CB 4.37Å; F36-L108 HydrophobicContact CE2-CD2 4.4Å; L49-L108 HydrophobicContact CD2-CD1 4.23Å; L49-L108 HydrophobicContact CD2-CD2 3.47Å; L49-L108 VanDerWaalsContact CD2-CD2 3.47Å; L49-L108 HydrophobicContact CD2-CG 4.38Å; L49-L108 HydrophobicContact CG-CD2 4.06Å; Q52-L108 PolarHBondContact N-O 3.24Å; L104-L108 PolarHBondContact O-N 2.97Å; F105-L108 HydrophobicContact CD1-CD2 4.41Å; F105-L108 PolarHBondContact O-N 3.36Å
109D89.8Confident93.2Very high9 Ų956.1 Ų56.15%0.04828%0.276CS..  trans-159.3130.1178-170.4-43.6000109.6S50 F105 R111 M112 G113S50-D109 PolarHBondContact OG-OD2 3.16Å; F105-D109 CarbonylContact O-C 3.48Å; F105-D109 PolarHBondContact O-N 3.48Å; D109-R111 PolarHBondContact O-N 3.34Å; D109-R111 VanDerWaalsContact O-N 3.11Å; D109-R111 WeakPolarHBondContact OD1-CB 3.05Å; D109-R111 WeakPolarHBondContact OD1-CG 3.14Å; D109-R111 PolarHBondContact OD1-N 3.22Å; D109-M112 HydrophobicContact CB-CB 4.33Å; D109-M112 HydrophobicContact CB-CG 4.15Å; D109-M112 PolarHBondContact O-N 3.48Å; D109-G113 PolarHBondContact O-N 3.32Å
110I90.9Very high93.2Very high92 Ų9253.1 Ų53.147%0.47226%0.258SS..Hα-helixtrans-55.1-33.3179.7-159.2164.7000113F106 G113 L114F106-I110 HydrophobicContact CD1-CG1 4.15Å; F106-I110 HydrophobicContact CE1-CG1 4.18Å; I110-G113 PolarHBondContact O-N 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3.04Å
111R92.1Very high93.1Very high189 Ų18957 Ų5771%0.71328%0.277SS*.Hα-helixtrans-68.2-43179-61.7175.7-179.4-175.41.7111.2D109 L114 L115D109-R111 PolarHBondContact O-N 3.34Å; D109-R111 VanDerWaalsContact O-N 3.11Å; D109-R111 WeakPolarHBondContact OD1-CB 3.05Å; D109-R111 WeakPolarHBondContact OD1-CG 3.14Å; D109-R111 PolarHBondContact OD1-N 3.22Å; R111-L114 PolarHBondContact O-N 2.99Å; R111-L115 WeakPolarHBondContact O-CB 3.33Å; R111-L115 PolarHBondContact O-N 2.99Å
112M91.2Very high93Very high44 Ų4460.4 Ų60.422%0.21730%0.297CS..Hα-helixtrans-69-37.8177.5-65.9-58.2-70.400111.3I39 L49 F105 D109 L115 Y116I39-M112 HydrophobicContact CD1-CE 4.5Å; L49-M112 HydrophobicContact CD1-CE 4.4Å; F105-M112 HydrophobicContact CB-CB 4.49Å; F105-M112 HydrophobicContact CD1-CB 4.11Å; D109-M112 HydrophobicContact CB-CB 4.33Å; D109-M112 HydrophobicContact CB-CG 4.15Å; D109-M112 PolarHBondContact O-N 3.48Å; M112-L115 PolarHBondContact O-N 3.08Å; M112-Y116 WeakPolarHBondContact O-CB 3.05Å; M112-Y116 PolarHBondContact O-N 3.19Å
113G93.4Very high92.8Very high0 Ų059.8 Ų59.80%029%0.293CS..Hα-helixtrans-57.3-49.5171.700000112.6D109 I110 Y116 L117D109-G113 PolarHBondContact O-N 3.32Å; I110-G113 PolarHBondContact O-N 3.3Å; G113-Y116 PolarHBondContact O-N 3.45Å; G113-L117 VanDerWaalsContact O-CB 3.31Å; G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 PolarHBondContact O-N 3.47Å
114L95.4Very high92.5Very high93 Ų9361.3 Ų61.349%0.48730%0.301SS..Hα-helixtrans-64-41.1177.5-71.5171.3000112.8F106 I110 R111 L117 T118F106-L114 HydrophobicContact CE1-CD2 4.09Å; F106-L114 HydrophobicContact CE1-CG 4.03Å; F106-L114 HydrophobicContact CZ-CD2 3.94Å; F106-L114 HydrophobicContact CZ-CG 4.2Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3.04Å; R111-L114 PolarHBondContact O-N 2.99Å; L114-L117 PolarHBondContact O-N 3Å; L114-T118 WeakPolarHBondContact O-CB 3.38Å; L114-T118 PolarHBondContact O-N 3.2Å; L114-T118 PolarHBondContact O-OG1 3.38Å
115L94.8Very high92.2Very high105 Ų10568.6 Ų68.655%0.5534%0.337SS..Hα-helixtrans-62.5-48.7176.7-176.2151.4000111.1R111 M112 L117 T118 L119R111-L115 WeakPolarHBondContact O-CB 3.33Å; R111-L115 PolarHBondContact O-N 2.99Å; M112-L115 PolarHBondContact O-N 3.08Å; L115-L117 PolarHBondContact O-N 3.18Å; L115-T118 PolarHBondContact O-N 3.38Å; L115-L119 PolarHBondContact O-N 2.65Å
116Y95.8Very high91.8Very high12 Ų1273.2 Ų73.25%0.04737%0.366CS..Hα-helixtrans-66.3-37.8179.7-175.8-96.2000112.3M32 N101 V102 F105 M112 G113 L119 C120M32-Y116 HydrophobicContact CE-CE2 3.9Å; M32-Y116 PolarHBondContact O-OH 3.08Å; N101-Y116 HydrophobicContact CB-CD1 4.37Å; N101-Y116 HydrophobicContact CB-CE1 3.57Å; N101-Y116 HydrophobicContact CB-CE2 4.34Å; N101-Y116 WeakPolarHBondContact CB-OH 3.38Å; V102-Y116 HydrophobicContact CB-CD1 4.4Å; V102-Y116 HydrophobicContact CG2-CD1 3.68Å; V102-Y116 HydrophobicContact CG2-CE1 3.74Å; F105-Y116 AromaticContact CD2-CD1 3.83Å; F105-Y116 HydrophobicContact CD2-CD1 3.83Å; F105-Y116 AromaticContact CD2-CD2 3.72Å; F105-Y116 HydrophobicContact CD2-CD2 3.72Å; F105-Y116 HydrophobicContact CD2-CE1 4.42Å; F105-Y116 HydrophobicContact CD2-CE2 4.32Å; F105-Y116 AromaticContact CD2-CG 3.44Å; F105-Y116 HydrophobicContact CD2-CG 3.44Å; F105-Y116 VanDerWaalsContact CD2-CG 3.44Å; F105-Y116 HydrophobicContact CE2-CD1 4.33Å; F105-Y116 AromaticContact CE2-CD2 3.47Å; F105-Y116 HydrophobicContact CE2-CD2 3.47Å; F105-Y116 VanDerWaalsContact CE2-CD2 3.47Å; F105-Y116 AromaticContact CE2-CE2 3.85Å; F105-Y116 HydrophobicContact CE2-CE2 3.85Å; F105-Y116 AromaticContact CE2-CG 3.74Å; F105-Y116 HydrophobicContact CE2-CG 3.74Å; F105-Y116 HydrophobicContact CG-CG 4.4Å; F105-Y116 HydrophobicContact CZ-CD2 4.44Å; M112-Y116 WeakPolarHBondContact O-CB 3.05Å; M112-Y116 PolarHBondContact O-N 3.19Å; G113-Y116 PolarHBondContact O-N 3.45Å; Y116-L119 PolarHBondContact O-N 2.96Å; Y116-C120 WeakPolarHBondContact CE1-SG 3.34Å; Y116-C120 PolarHBondContact O-N 3.46Å; Y116-C120 PolarHBondContact O-SG 2.73Å
117L95.5Very high91.4Very high64 Ų6471.7 Ų71.734%0.33536%0.364SS..Hα-helixtrans-62.5-43.9173.8-179.861.7000111.4V102 F106 G113 L114 L115 L119 C120 I121V102-L117 HydrophobicContact CG1-CD1 4.47Å; V102-L117 HydrophobicContact CG2-CD1 4.37Å; F106-L117 HydrophobicContact CE2-CB 4.39Å; F106-L117 HydrophobicContact CE2-CD2 4.3Å; F106-L117 HydrophobicContact CZ-CD2 4.29Å; G113-L117 VanDerWaalsContact O-CB 3.31Å; G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 PolarHBondContact O-N 3.47Å; L114-L117 PolarHBondContact O-N 3Å; L115-L117 PolarHBondContact O-N 3.18Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.92Å; L117-C120 WeakPolarHBondContact O-CB 3.32Å; L117-C120 PolarHBondContact O-N 3.46Å; L117-I121 HydrophobicContact CG-CD1 4.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.33Å; L117-I121 PolarHBondContact O-N 2.99Å
118T95.6Very high90.9Very high82 Ų8274.1 Ų74.150%0.50338%0.378SS..Hα-helixtrans-61.7-44175.9-56.20000110.8L114 L115 C120 I121 V122L114-T118 WeakPolarHBondContact O-CB 3.38Å; L114-T118 PolarHBondContact O-N 3.2Å; L114-T118 PolarHBondContact O-OG1 3.38Å; L115-T118 PolarHBondContact O-N 3.38Å; T118-C120 VanDerWaalsContact C-N 3.32Å; T118-C120 PolarHBondContact O-N 3.34Å; T118-I121 PolarHBondContact O-N 3.44Å; T118-V122 HydrophobicContact CG2-CG2 4.49Å; T118-V122 WeakPolarHBondContact O-CG2 3.17Å; T118-V122 PolarHBondContact O-N 3.06Å
119L94.6Very high90.4Very high84 Ų8476.1 Ų76.144%0.4439%0.391SS..Hα-helixtrans-60-40.7175-175.166.8000111.9M32 L115 Y116 L117 V122 F123M32-L119 HydrophobicContact CE-CB 4.3Å; M32-L119 HydrophobicContact CE-CD2 3.97Å; M32-L119 HydrophobicContact CE-CG 3.84Å; M32-L119 HydrophobicContact CG-CD2 4.47Å; M32-L119 HydrophobicContact SD-CD2 4.44Å; M32-L119 HydrophobicContact SD-CG 4.26Å; L115-L119 PolarHBondContact O-N 2.65Å; Y116-L119 PolarHBondContact O-N 2.96Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.92Å; L119-V122 PolarHBondContact O-N 2.92Å; L119-F123 VanDerWaalsContact O-CB 3.26Å; L119-F123 WeakPolarHBondContact O-CB 3.49Å; L119-F123 PolarHBondContact O-N 2.94Å
120C93.6Very high89.7Confident14 Ų1477.1 Ų77.110%0.09540%0.398CS..Hα-helixtrans-60.3-44.8174.2-72.10000111.9M32 Y116 L117 T118 F123 L124M32-C120 HydrophobicContact CE-CB 4.2Å; M32-C120 WeakPolarHBondContact CE-SG 3.31Å; Y116-C120 WeakPolarHBondContact CE1-SG 3.34Å; Y116-C120 PolarHBondContact O-N 3.46Å; Y116-C120 PolarHBondContact O-SG 2.73Å; L117-C120 WeakPolarHBondContact O-CB 3.32Å; L117-C120 PolarHBondContact O-N 3.46Å; T118-C120 VanDerWaalsContact C-N 3.32Å; T118-C120 PolarHBondContact O-N 3.34Å; C120-F123 PolarHBondContact O-N 2.89Å; C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.45Å; C120-L124 PolarHBondContact O-N 3.23Å
121I92.7Very high89Confident89 Ų8976.9 Ų76.946%0.45640%0.397SS..Hα-helixtrans-65.7-46.1179.7-66.3165.9000110.6L117 T118 F123 L124 M125L117-I121 HydrophobicContact CG-CD1 4.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.33Å; L117-I121 PolarHBondContact O-N 2.99Å; T118-I121 PolarHBondContact O-N 3.44Å; I121-F123 VanDerWaalsContact C-N 3.33Å; I121-F123 PolarHBondContact O-N 3.16Å; I121-L124 PolarHBondContact O-N 3.44Å; I121-M125 WeakPolarHBondContact O-CG 3.45Å; I121-M125 PolarHBondContact O-N 2.84Å; I121-M125 VanDerWaalsContact O-N 3.11Å
122V93Very high88.5Confident75 Ų7570.3 Ų70.346%0.45537%0.372SS..Hα-helixtrans-58.6-48175.9172.40000109.9T118 L119 L124 M125 T126T118-V122 HydrophobicContact CG2-CG2 4.49Å; T118-V122 WeakPolarHBondContact O-CG2 3.17Å; T118-V122 PolarHBondContact O-N 3.06Å; L119-V122 PolarHBondContact O-N 2.92Å; V122-L124 VanDerWaalsContact C-N 3.32Å; V122-L124 PolarHBondContact O-N 2.92Å; V122-M125 PolarHBondContact O-N 3Å; V122-T126 HydrophobicContact CG1-CG2 4.02Å; V122-T126 WeakPolarHBondContact O-CG2 3.37Å; V122-T126 PolarHBondContact O-N 3.07Å; V122-T126 PolarHBondContact O-OG1 3.09Å
123F90.8Very high87.8Confident14 Ų1475.6 Ų75.66%0.06140%0.399CS..Hα-helixtrans-57.1-43.9178-177.8-90.6000112.4Y25 A28 S29 M32 L119 C120 I121 M125 T126 C127Y25-F123 AromaticContact CD2-CE1 3.99Å; Y25-F123 HydrophobicContact CD2-CE1 3.99Å; Y25-F123 AromaticContact CD2-CZ 3.58Å; Y25-F123 HydrophobicContact CD2-CZ 3.58Å; Y25-F123 AromaticContact CE2-CE1 3.55Å; Y25-F123 HydrophobicContact CE2-CE1 3.55Å; Y25-F123 AromaticContact CE2-CZ 3.64Å; Y25-F123 HydrophobicContact CE2-CZ 3.64Å; Y25-F123 HydrophobicContact CG-CZ 4.33Å; A28-F123 HydrophobicContact CB-CD2 4.35Å; A28-F123 HydrophobicContact CB-CE2 3.64Å; S29-F123 WeakPolarHBondContact OG-CE1 3.48Å; S29-F123 WeakPolarHBondContact OG-CZ 3.2Å; M32-F123 HydrophobicContact SD-CB 3.87Å; M32-F123 HydrophobicContact SD-CD1 4.47Å; M32-F123 HydrophobicContact SD-CD2 4.05Å; M32-F123 HydrophobicContact SD-CG 3.85Å; L119-F123 VanDerWaalsContact O-CB 3.26Å; L119-F123 WeakPolarHBondContact O-CB 3.49Å; L119-F123 PolarHBondContact O-N 2.94Å; C120-F123 PolarHBondContact O-N 2.89Å; I121-F123 VanDerWaalsContact C-N 3.33Å; I121-F123 PolarHBondContact O-N 3.16Å; F123-M125 VanDerWaalsContact C-N 3.27Å; F123-M125 PolarHBondContact O-N 3.39Å; F123-T126 PolarHBondContact O-N 2.93Å; F123-C127 HydrophobicContact CD1-CB 4.45Å; F123-C127 HydrophobicContact CD2-CB 3.88Å; F123-C127 HydrophobicContact CE1-CB 4.15Å; F123-C127 HydrophobicContact CE2-CB 3.52Å; F123-C127 HydrophobicContact CG-CB 4.32Å; F123-C127 HydrophobicContact CZ-CB 3.68Å; F123-C127 WeakPolarHBondContact O-CA 3.27Å; F123-C127 VanDerWaalsContact O-CB 3.32Å; F123-C127 WeakPolarHBondContact O-CB 3.29Å; F123-C127 PolarHBondContact O-N 2.62Å
124L86.8Confident87.3Confident125 Ų12577 Ų7765%0.65441%0.413SS*.Hα-helixtrans-61.7-35.2176.7-73.4170000112.6C120 I121 V122C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.45Å; C120-L124 PolarHBondContact O-N 3.23Å; I121-L124 PolarHBondContact O-N 3.44Å; V122-L124 VanDerWaalsContact C-N 3.32Å; V122-L124 PolarHBondContact O-N 2.92Å
125M86.4Confident87Confident153 Ų15376.8 Ų76.875%0.75442%0.417SS*.Hα-helixtrans-78.7-40179.3-67.3-64.2-170.400112.7I121 V122 F123I121-M125 WeakPolarHBondContact O-CG 3.45Å; I121-M125 PolarHBondContact O-N 2.84Å; I121-M125 VanDerWaalsContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 3Å; F123-M125 VanDerWaalsContact C-N 3.27Å; F123-M125 PolarHBondContact O-N 3.39Å
126T85.8Confident86.9Confident100 Ų10074.6 Ų74.661%0.61340%0.404SS*.Hα-helixtrans-88.9-32.7-173.658.60000113.3V122 F123V122-T126 HydrophobicContact CG1-CG2 4.02Å; V122-T126 WeakPolarHBondContact O-CG2 3.37Å; V122-T126 PolarHBondContact O-N 3.07Å; V122-T126 PolarHBondContact O-OG1 3.09Å; F123-T126 PolarHBondContact O-N 2.93Å
127C83.4Confident86.7Confident41 Ų4180.9 Ų80.928%0.27743%0.428SS..  trans-11896.2-170.9-600000110.1Y25 F123Y25-C127 HydrophobicContact CD2-CB 4.01Å; Y25-C127 WeakPolarHBondContact CE2-O 3.43Å; F123-C127 HydrophobicContact CD1-CB 4.45Å; F123-C127 HydrophobicContact CD2-CB 3.88Å; F123-C127 HydrophobicContact CE1-CB 4.15Å; F123-C127 HydrophobicContact CE2-CB 3.52Å; F123-C127 HydrophobicContact CG-CB 4.32Å; F123-C127 HydrophobicContact CZ-CB 3.68Å; F123-C127 WeakPolarHBondContact O-CA 3.27Å; F123-C127 VanDerWaalsContact O-CB 3.32Å; F123-C127 WeakPolarHBondContact O-CB 3.29Å; F123-C127 PolarHBondContact O-N 2.62Å
128K78.9Confident86.7Confident169 Ų16978.8 Ų78.874%0.73542%0.418SS*.PPolyproline II helixtrans-77.9144.8171.8-72.1178.8178.71590110.7Y25Y25-K128 WeakPolarHBondContact CD2-O 3.36Å
129P77.4Confident86.7Confident45 Ų4578.6 Ų78.629%0.29241%0.41SS..PPolyproline II helixtrans-58.6139.6171.925.9-33.3000109.3Y25Y25-P129 HydrophobicContact CE1-CB 4.11Å; Y25-P129 HydrophobicContact CE2-CB 4.26Å
130P76.1Confident86.7Confident30 Ų3080.4 Ų80.420%0.19541%0.412CS..PPolyproline II helixtrans-66.6138177.828.1-32.5000109.7K23 Y26K23-P130 HydrophobicContact CD-CB 3.8Å; K23-P130 HydrophobicContact CD-CG 3.82Å; Y26-P130 HydrophobicContact CD2-CG 4.4Å; Y26-P130 HydrophobicContact CE2-CG 3.49Å; Y26-P130 VanDerWaalsContact CE2-CG 3.49Å
131L77Confident86.8Confident87 Ų8780.1 Ų80.146%0.45541%0.409SS..PPolyproline II helixtrans-68.8161.2167.5-63.9172.1000110M133 Q171L131-M133 WeakPolarHBondContact O-CG 3.34Å; L131-M133 PolarHBondContact O-N 3.18Å; L131-Q171 HydrophobicContact CD2-CG 4.44Å
132Y80.6Confident86.8Confident50 Ų5077.3 Ų77.320%0.19640%0.397CS..PPolyproline II helixtrans-57.5132.2169.7-178.5-95000109.6G134 A174 A175 A178Y132-G134 VanDerWaalsContact CE1-CA 3.44Å; Y132-G134 VanDerWaalsContact CE1-N 3.29Å; Y132-A174 HydrophobicContact CG-CB 4.4Å; Y132-A175 HydrophobicContact CD2-CB 3.74Å; Y132-A175 HydrophobicContact CE2-CB 3.64Å; Y132-A178 HydrophobicContact CD1-CB 4.02Å; Y132-A178 HydrophobicContact CE1-CB 3.3Å
133M76.4Confident86.7Confident156 Ų15676.8 Ų76.877%0.76839%0.391SS*.  trans-129.921.6-177.4-60.7-66.6-70.100111.5L131L131-M133 WeakPolarHBondContact O-CG 3.34Å; L131-M133 PolarHBondContact O-N 3.18Å
134G82.6Confident86.7Confident29 Ų2983.7 Ų83.730%0.29942%0.422SS..SBendtrans-77177.6177.800000112.4Y132 E136Y132-G134 VanDerWaalsContact CE1-CA 3.44Å; Y132-G134 VanDerWaalsContact CE1-N 3.29Å; G134-E136 PolarHBondContact O-N 3.35Å
135P88.6Confident86.9Confident88 Ų8880.3 Ų80.357%0.57141%0.406SS*.  trans-61.4136.9170.427.3-31.8000109.7L182P135-L182 HydrophobicContact CB-CD1 4.09Å; P135-L182 HydrophobicContact CB-CD2 4.42Å; P135-L182 HydrophobicContact CG-CD1 3.95Å; P135-L182 WeakPolarHBondContact O-CD1 3.27Å
136E92.9Very high87.2Confident59 Ų5973 Ų7328%0.27637%0.37SS..  trans-149.4149.6175.262-178.5-163.800109.7G134 I138 Y140 A178G134-E136 PolarHBondContact O-N 3.35Å; E136-I138 HydrophobicContact CB-CD1 3.95Å; E136-I138 HydrophobicContact CB-CG1 4.16Å; E136-I138 HydrophobicContact CG-CD1 4.46Å; E136-Y140 VanDerWaalsContact OE1-CE2 3.23Å; E136-Y140 WeakPolarHBondContact OE1-CE2 3.31Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.3Å; E136-Y140 PolarHBondContact OE1-OH 2.79Å; E136-A178 HydrophobicContact CB-CB 3.91Å
137Y92.8Very high87.5Confident144 Ų14470.2 Ų70.257%0.56535%0.351SS*.  trans-116.970.6172-158.3-83000109.4S181 N185Y137-S181 PolarHBondContact N-OG 3.28Å; Y137-N185 HydrophobicContact CD1-CB 3.88Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.44Å; Y137-N185 WeakPolarHBondContact CD1-OD1 3.43Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.45Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.38Å; Y137-N185 HydrophobicContact CG-CB 4.31Å
138I95.3Very high87.9Confident21 Ų2173.1 Ų73.111%0.10836%0.364CS..EExtended strand (participates in β ladder)trans-126.3132.3-172.2-60.8171.3000109.4E136 Y177 S181 F191 K193E136-I138 HydrophobicContact CB-CD1 3.95Å; E136-I138 HydrophobicContact CB-CG1 4.16Å; E136-I138 HydrophobicContact CG-CD1 4.46Å; I138-Y177 HydrophobicContact CD1-CD1 3.46Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.46Å; I138-Y177 HydrophobicContact CD1-CE1 3.59Å; I138-Y177 HydrophobicContact CG1-CD1 4.4Å; I138-Y177 HydrophobicContact CG1-CE1 4.08Å; I138-Y177 HydrophobicContact CG2-CE1 4.16Å; I138-S181 WeakPolarHBondContact CG1-OG 3.31Å; I138-F191 HydrophobicContact CG1-CB 4.18Å; I138-K193 HydrophobicContact CD1-CD 4.06Å; I138-K193 HydrophobicContact CG2-CB 3.88Å; I138-K193 HydrophobicContact CG2-CD 3.79Å; I138-K193 HydrophobicContact CG2-CG 3.63Å
139K94.9Very high88.5Confident77 Ų7766.3 Ų66.334%0.33534%0.335SS..EExtended strand (participates in β ladder)trans-88.5123.5172.7-172.6167.6-176.5163.10110.9F141 E149 W158 F191 G192 K193K139-F141 HydrophobicContact CD-CE1 3.92Å; K139-F141 HydrophobicContact CD-CZ 4.46Å; K139-F141 HydrophobicContact CG-CD1 4.47Å; K139-F141 HydrophobicContact CG-CE1 4.06Å; K139-F141 HydrophobicContact CG-CZ 4.48Å; K139-E149 IonicContact NZ-OE1 3.78Å; K139-E149 PolarHBondContact NZ-OE1 3.35Å; K139-E149 IonicContact NZ-OE2 2.94Å; K139-E149 PolarHBondContact NZ-OE2 3.49Å; K139-W158 HydrophobicContact CB-CH2 4.14Å; K139-W158 HydrophobicContact CB-CZ3 3.98Å; K139-W158 HydrophobicContact CD-CH2 3.73Å; K139-W158 HydrophobicContact CD-CZ3 4.37Å; K139-F191 PolarHBondContact N-O 3.37Å; K139-G192 CarbonylContact O-C 3.47Å; K139-G192 WeakPolarHBondContact O-CA 3.45Å; K139-K193 PolarHBondContact O-N 2.95Å
140Y94.8Very high89.2Confident123 Ų12364.5 Ų64.548%0.48232%0.323SS..EExtended strand (participates in β ladder)trans-83.9125.7173.9-71.2-90.8000110.8E136 K193E136-Y140 VanDerWaalsContact OE1-CE2 3.23Å; E136-Y140 WeakPolarHBondContact OE1-CE2 3.31Å; E136-Y140 VanDerWaalsContact OE1-CZ 3.3Å; E136-Y140 PolarHBondContact OE1-OH 2.79Å; Y140-K193 WeakPolarHBondContact CA-O 3.28Å; Y140-K193 HydrophobicContact CD1-CB 3.94Å; Y140-K193 HydrophobicContact CE1-CB 3.92Å; Y140-K193 HydrophobicContact CE1-CD 4.16Å
141F94.8Very high89.9Confident7 Ų769.1 Ų69.13%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-97.7140.9175.6-58.9-62000111.2K139 I146 E149 W158 V160 K193 V194K139-F141 HydrophobicContact CD-CE1 3.92Å; K139-F141 HydrophobicContact CD-CZ 4.46Å; K139-F141 HydrophobicContact CG-CD1 4.47Å; K139-F141 HydrophobicContact CG-CE1 4.06Å; K139-F141 HydrophobicContact CG-CZ 4.48Å; F141-I146 HydrophobicContact CB-CB 3.98Å; F141-I146 HydrophobicContact CB-CG1 4.23Å; F141-I146 HydrophobicContact CD2-CG1 4.3Å; F141-I146 HydrophobicContact CG-CB 4.3Å; F141-I146 HydrophobicContact CG-CG1 4.19Å; F141-E149 HydrophobicContact CD1-CB 4.17Å; F141-E149 HydrophobicContact CD1-CG 4.3Å; F141-E149 HydrophobicContact CE1-CB 3.56Å; F141-E149 HydrophobicContact CE1-CG 3.98Å; F141-E149 HydrophobicContact CZ-CB 4.45Å; F141-W158 HydrophobicContact CE1-CH2 4.44Å; F141-W158 HydrophobicContact CE1-CZ3 4.46Å; F141-W158 HydrophobicContact CE2-CE3 4.3Å; F141-W158 HydrophobicContact CE2-CZ3 4.36Å; F141-W158 HydrophobicContact CZ-CD2 4.28Å; F141-W158 AromaticContact CZ-CE3 3.76Å; F141-W158 HydrophobicContact CZ-CE3 3.76Å; F141-W158 AromaticContact CZ-CH2 3.97Å; F141-W158 HydrophobicContact CZ-CH2 3.97Å; F141-W158 HydrophobicContact CZ-CZ2 4.43Å; F141-W158 AromaticContact CZ-CZ3 3.6Å; F141-W158 HydrophobicContact CZ-CZ3 3.6Å; F141-V160 HydrophobicContact CD2-CG1 4.09Å; F141-V160 HydrophobicContact CE2-CG1 4.15Å; F141-V160 HydrophobicContact CE2-CG2 3.87Å; F141-K193 PolarHBondContact N-O 3.22Å; F141-V194 HydrophobicContact CB-CB 4.27Å; F141-V194 HydrophobicContact CB-CG2 4.46Å
142S93Very high90.5Very high30 Ų3073 Ų7321%0.2135%0.351CS..PPolyproline II helixtrans-92.6169.1161.868.50000110.9K144 T145 I146S142-K144 PolarHBondContact O-N 2.98Å; S142-T145 PolarHBondContact N-OG1 2.92Å; S142-T145 PolarHBondContact O-N 3.49Å; S142-T145 PolarHBondContact O-OG1 3.33Å; S142-T145 WeakPolarHBondContact OG-CB 3.45Å; S142-T145 VanDerWaalsContact OG-CG2 3.23Å; S142-T145 WeakPolarHBondContact OG-CG2 3.34Å; S142-T145 PolarHBondContact OG-N 3.2Å; S142-T145 PolarHBondContact OG-OG1 3.39Å; S142-I146 PolarHBondContact O-N 3.27Å
143D91.4Very high90.9Very high64 Ų6473.1 Ų73.134%0.34235%0.354SS..THydrogen-bonded Turntrans-51.6-35.917261.5-36.1000113.7Y199 V202D143-Y199 HydrophobicContact CB-CD1 3.92Å; D143-Y199 HydrophobicContact CB-CG 4.08Å; D143-V202 HydrophobicContact CB-CG2 3.98Å
144K90.7Very high91.5Very high160 Ų16070.4 Ų70.470%0.69634%0.343SS*.THydrogen-bonded Turntrans-87.8-32.2-178-62.4178.1-174.9179.60113.6S142S142-K144 PolarHBondContact O-N 2.98Å
145T91.8Very high91.8Very high53 Ų5375.9 Ų75.933%0.32536%0.355SS..Hα-helixtrans-89.8-17.5-170.5570000113.6S142 D147 E149S142-T145 PolarHBondContact N-OG1 2.92Å; S142-T145 PolarHBondContact O-N 3.49Å; S142-T145 PolarHBondContact O-OG1 3.33Å; S142-T145 WeakPolarHBondContact OG-CB 3.45Å; S142-T145 VanDerWaalsContact OG-CG2 3.23Å; S142-T145 WeakPolarHBondContact OG-CG2 3.34Å; S142-T145 PolarHBondContact OG-N 3.2Å; S142-T145 PolarHBondContact OG-OG1 3.39Å; T145-D147 PolarHBondContact O-N 2.9Å; T145-E149 WeakPolarHBondContact O-CB 3.38Å; T145-E149 WeakPolarHBondContact O-CG 3.44Å; T145-E149 PolarHBondContact O-N 3.48Å; T145-E149 VanDerWaalsContact O-N 3.09Å
146I93.1Very high91.9Very high1 Ų172.2 Ų72.21%0.00533%0.331CS..Hα-helixtrans-61.1-46.8-172.1-171.7167.3000112F141 S142 E149 L150 F162 V194 V202 Y206F141-I146 HydrophobicContact CB-CB 3.98Å; F141-I146 HydrophobicContact CB-CG1 4.23Å; F141-I146 HydrophobicContact CD2-CG1 4.3Å; F141-I146 HydrophobicContact CG-CB 4.3Å; F141-I146 HydrophobicContact CG-CG1 4.19Å; S142-I146 PolarHBondContact O-N 3.27Å; I146-E149 PolarHBondContact O-N 2.92Å; I146-L150 HydrophobicContact CG1-CD1 3.9Å; I146-L150 HydrophobicContact CG1-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CB 3.22Å; I146-L150 VanDerWaalsContact O-CG 3.22Å; I146-L150 WeakPolarHBondContact O-CG 3.44Å; I146-L150 PolarHBondContact O-N 3.28Å; I146-L150 VanDerWaalsContact O-N 3.07Å; I146-F162 HydrophobicContact CD1-CE1 4.26Å; I146-F162 HydrophobicContact CD1-CZ 4.33Å; I146-V194 HydrophobicContact CD1-CB 4.36Å; I146-V194 HydrophobicContact CD1-CG1 4.16Å; I146-V194 HydrophobicContact CD1-CG2 4.41Å; I146-V202 HydrophobicContact CD1-CG1 4.31Å; I146-Y206 HydrophobicContact CD1-CE2 3.85Å; I146-Y206 HydrophobicContact CG2-CE2 4.38Å
147D90.9Very high92Very high40 Ų4070.1 Ų70.121%0.21432%0.322CS..Hα-helixtrans-68.6-49.8-176.9-62.7-44.6000111.4T145 E149 L150 E151 K205 Y206T145-D147 PolarHBondContact O-N 2.9Å; D147-E149 PolarHBondContact O-N 2.85Å; D147-L150 PolarHBondContact O-N 3.46Å; D147-L150 VanDerWaalsContact O-N 3.14Å; D147-E151 WeakPolarHBondContact O-CB 3.49Å; D147-E151 WeakPolarHBondContact O-CG 3.37Å; D147-E151 PolarHBondContact O-N 3.21Å; D147-K205 IonicContact OD1-NZ 2.6Å; D147-K205 PolarHBondContact OD1-NZ 3.39Å; D147-K205 IonicContact OD2-NZ 3.66Å; D147-K205 PolarHBondContact OD2-NZ 3.29Å; D147-Y206 PolarHBondContact OD1-OH 3.41Å; D147-Y206 VanDerWaalsContact OD1-OH 3.04Å
148D91.7Very high92.2Very high102 Ų10263.7 Ų63.755%0.54530%0.297SS..Hα-helixtrans-55.5-39178.6-67-12.4000111.9R152D148-R152 WeakPolarHBondContact O-CB 3.42Å; D148-R152 PolarHBondContact O-N 2.88Å
149E92.1Very high92.3Very high27 Ų2762.8 Ų62.813%0.12629%0.292CS..Hα-helixtrans-77.3-34.5-179.6-70.3-70.3172.800113.5K139 F141 T145 I146 D147 R152K139-E149 IonicContact NZ-OE1 3.78Å; K139-E149 PolarHBondContact NZ-OE1 3.35Å; K139-E149 IonicContact NZ-OE2 2.94Å; K139-E149 PolarHBondContact NZ-OE2 3.49Å; F141-E149 HydrophobicContact CD1-CB 4.17Å; F141-E149 HydrophobicContact CD1-CG 4.3Å; F141-E149 HydrophobicContact CE1-CB 3.56Å; F141-E149 HydrophobicContact CE1-CG 3.98Å; F141-E149 HydrophobicContact CZ-CB 4.45Å; T145-E149 WeakPolarHBondContact O-CB 3.38Å; T145-E149 WeakPolarHBondContact O-CG 3.44Å; T145-E149 PolarHBondContact O-N 3.48Å; T145-E149 VanDerWaalsContact O-N 3.09Å; I146-E149 PolarHBondContact O-N 2.92Å; D147-E149 PolarHBondContact O-N 2.85Å; E149-R152 IonicContact OE1-CZ 3.35Å; E149-R152 IonicContact OE1-NH1 2.65Å; E149-R152 PolarHBondContact OE1-NH1 2.98Å; E149-R152 IonicContact OE1-NH2 3.34Å; E149-R152 PolarHBondContact OE1-NH2 3.27Å; E149-R152 IonicContact OE2-CZ 3.76Å; E149-R152 IonicContact OE2-NH1 2.68Å; E149-R152 PolarHBondContact OE2-NH1 3.16Å
150L91.9Very high92.4Very high7 Ų759.1 Ų59.14%0.03728%0.276CS..Hα-helixtrans-71.3-33.2175.6-71.2175.2000111.8I146 D147 W158 V160 F223I146-L150 HydrophobicContact CG1-CD1 3.9Å; I146-L150 HydrophobicContact CG1-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CB 3.22Å; I146-L150 VanDerWaalsContact O-CG 3.22Å; I146-L150 WeakPolarHBondContact O-CG 3.44Å; I146-L150 PolarHBondContact O-N 3.28Å; I146-L150 VanDerWaalsContact O-N 3.07Å; D147-L150 PolarHBondContact O-N 3.46Å; D147-L150 VanDerWaalsContact O-N 3.14Å; L150-W158 HydrophobicContact CD2-CB 3.69Å; L150-W158 HydrophobicContact CD2-CD2 4.39Å; L150-W158 HydrophobicContact CD2-CG 3.69Å; L150-V160 HydrophobicContact CD2-CG2 4.27Å; L150-F223 HydrophobicContact CD1-CD1 4.23Å; L150-F223 HydrophobicContact CD1-CD2 4.39Å; L150-F223 HydrophobicContact CD1-CE1 4.26Å; L150-F223 HydrophobicContact CD1-CE2 4.4Å; L150-F223 HydrophobicContact CD1-CG 4.3Å; L150-F223 HydrophobicContact CD1-CZ 4.34Å; L150-F223 HydrophobicContact CD2-CB 4.07Å; L150-F223 HydrophobicContact CD2-CD2 4.14Å; L150-F223 HydrophobicContact CD2-CG 4.06Å
151E90.5Very high92.5Very high127 Ų12753.2 Ų53.259%0.59325%0.253SS*.Hα-helixtrans-90.1-17.6-179-66.3-178.5-175.400113.4D147 D153D147-E151 WeakPolarHBondContact O-CB 3.49Å; D147-E151 WeakPolarHBondContact O-CG 3.37Å; D147-E151 PolarHBondContact O-N 3.21Å; E151-D153 PolarHBondContact O-N 3.28Å
152R90.3Very high92.6Very high169 Ų16952.9 Ų52.964%0.63825%0.251SS*.Hα-helixtrans-58.4-43.8-177-179.6178.3-69.4152.11.4113.8D148 E149D148-R152 WeakPolarHBondContact O-CB 3.42Å; D148-R152 PolarHBondContact O-N 2.88Å; E149-R152 IonicContact OE1-CZ 3.35Å; E149-R152 IonicContact OE1-NH1 2.65Å; E149-R152 PolarHBondContact OE1-NH1 2.98Å; E149-R152 IonicContact OE1-NH2 3.34Å; E149-R152 PolarHBondContact OE1-NH2 3.27Å; E149-R152 IonicContact OE2-CZ 3.76Å; E149-R152 IonicContact OE2-NH1 2.68Å; E149-R152 PolarHBondContact OE2-NH1 3.16Å
153D89.2Confident92.7Very high51 Ų5152.4 Ų52.427%0.27325%0.245SC..  trans-136.198.9176.2-166.2-20.1000110.8E151 R155 V156E151-D153 PolarHBondContact O-N 3.28Å; D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 VanDerWaalsContact OD1-CB 3.29Å; D153-R155 WeakPolarHBondContact OD1-CB 3.4Å; D153-R155 IonicContact OD1-CZ 3.63Å; D153-R155 PolarHBondContact OD1-N 2.97Å; D153-R155 IonicContact OD1-NE 3.45Å; D153-R155 PolarHBondContact OD1-NE 2.79Å; D153-R155 IonicContact OD1-NH2 2.69Å; D153-R155 PolarHBondContact OD1-NH2 3.33Å; D153-R155 IonicContact OD2-CZ 3.74Å; D153-R155 IonicContact OD2-NE 3.61Å; D153-R155 IonicContact OD2-NH2 3.94Å; D153-R155 PolarHBondContact OD2-NH2 3.05Å; D153-V156 HydrophobicContact CB-CB 4.5Å; D153-V156 HydrophobicContact CB-CG2 3.87Å; D153-V156 PolarHBondContact O-N 3.23Å
154N87.9Confident92.8Very high100 Ų10049.3 Ų49.354%0.53523%0.229SC..THydrogen-bonded Turntrans-61.7-12.6179.2-71.4-31000114.4G225N154-G225 VanDerWaalsContact O-CA 3.23Å; N154-G225 WeakPolarHBondContact O-CA 3.42Å; N154-G225 PolarHBondContact O-N 3.04Å
155R88.4Confident92.7Very high144 Ų14444.9 Ų44.954%0.54321%0.213SC..THydrogen-bonded Turntrans-83.9-21.6176.1-57.6169.3-65.4-158.10.1112.2D153 L267D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 VanDerWaalsContact OD1-CB 3.29Å; D153-R155 WeakPolarHBondContact OD1-CB 3.4Å; D153-R155 IonicContact OD1-CZ 3.63Å; D153-R155 PolarHBondContact OD1-N 2.97Å; D153-R155 IonicContact OD1-NE 3.45Å; D153-R155 PolarHBondContact OD1-NE 2.79Å; D153-R155 IonicContact OD1-NH2 2.69Å; D153-R155 PolarHBondContact OD1-NH2 3.33Å; D153-R155 IonicContact OD2-CZ 3.74Å; D153-R155 IonicContact OD2-NE 3.61Å; D153-R155 IonicContact OD2-NH2 3.94Å; D153-R155 PolarHBondContact OD2-NH2 3.05Å; R155-L267 HydrophobicContact CB-CD2 4.3Å
156V92.6Very high92.4Very high11 Ų1148 Ų487%0.06722%0.219CC..SBendtrans-80.3126-179.9-179.50000108.6D153 K190D153-V156 HydrophobicContact CB-CB 4.5Å; D153-V156 HydrophobicContact CB-CG2 3.87Å; D153-V156 PolarHBondContact O-N 3.23Å; V156-K190 HydrophobicContact CG1-CB 4.28Å; V156-K190 HydrophobicContact CG1-CD 3.89Å; V156-K190 HydrophobicContact CG1-CG 3.87Å
157T95.1Very high92.3Very high15 Ų1547.9 Ų47.99%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-84.7131170.3-60.30000108.7G188 L189 K190 L222 F223 Q224 L260T157-G188 PolarHBondContact N-O 3.42Å; T157-L189 HydrophobicContact CG2-CD1 3.73Å; T157-L189 WeakPolarHBondContact O-CA 3.3Å; T157-K190 PolarHBondContact O-N 3.46Å; T157-L222 HydrophobicContact CG2-CD1 3.47Å; T157-L222 VanDerWaalsContact CG2-CD1 3.47Å; T157-L222 HydrophobicContact CG2-CG 4.4Å; T157-F223 WeakPolarHBondContact CA-O 3.4Å; T157-Q224 HydrophobicContact CG2-CG 3.77Å; T157-L260 HydrophobicContact CG2-CD1 4.42Å
158W96.5Very high92Very high9 Ų950 Ų503%0.03423%0.234CC..EExtended strand (participates in β ladder)trans-115.1133.4178.3-75.295.9000110.4K139 F141 L150 V160 K190 F223K139-W158 HydrophobicContact CB-CH2 4.14Å; K139-W158 HydrophobicContact CB-CZ3 3.98Å; K139-W158 HydrophobicContact CD-CH2 3.73Å; K139-W158 HydrophobicContact CD-CZ3 4.37Å; F141-W158 HydrophobicContact CE1-CH2 4.44Å; F141-W158 HydrophobicContact CE1-CZ3 4.46Å; F141-W158 HydrophobicContact CE2-CE3 4.3Å; F141-W158 HydrophobicContact CE2-CZ3 4.36Å; F141-W158 HydrophobicContact CZ-CD2 4.28Å; F141-W158 AromaticContact CZ-CE3 3.76Å; F141-W158 HydrophobicContact CZ-CE3 3.76Å; F141-W158 AromaticContact CZ-CH2 3.97Å; F141-W158 HydrophobicContact CZ-CH2 3.97Å; F141-W158 HydrophobicContact CZ-CZ2 4.43Å; F141-W158 AromaticContact CZ-CZ3 3.6Å; F141-W158 HydrophobicContact CZ-CZ3 3.6Å; L150-W158 HydrophobicContact CD2-CB 3.69Å; L150-W158 HydrophobicContact CD2-CD2 4.39Å; L150-W158 HydrophobicContact CD2-CG 3.69Å; W158-V160 HydrophobicContact CB-CG2 4.16Å; W158-K190 WeakPolarHBondContact CA-O 3.17Å; 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 3.69Å; W158-K190 HydrophobicContact CH2-CD 3.5Å; W158-K190 HydrophobicContact CH2-CG 4.25Å; W158-K190 HydrophobicContact CZ2-CB 4.09Å; W158-K190 HydrophobicContact CZ2-CD 3.56Å; W158-K190 HydrophobicContact CZ2-CG 4.44Å; W158-K190 HydrophobicContact CZ3-CB 3.36Å; W158-K190 HydrophobicContact CZ3-CD 4.12Å; W158-K190 HydrophobicContact CZ3-CG 4.38Å; W158-F223 HydrophobicContact CB-CB 4.2Å; W158-F223 PolarHBondContact N-O 2.8Å; W158-F223 PolarHBondContact O-N 2.87Å
159I97.1Very high91.7Very high1 Ų149.4 Ų49.41%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.6116.2165.6-63.8168.8000106.1Y177 L189 K190 F191 G192 L220 L222 L257I159-Y177 HydrophobicContact CG2-CE2 4.04Å; I159-Y177 PolarHBondContact O-OH 2.83Å; I159-L189 HydrophobicContact CD1-CD1 3.97Å; I159-L189 HydrophobicContact CG1-CD1 4.21Å; I159-K190 PolarHBondContact N-O 2.98Å; I159-F191 HydrophobicContact CB-CD1 4.22Å; I159-F191 HydrophobicContact CB-CE1 4.26Å; I159-F191 HydrophobicContact CD1-CE1 3.91Å; I159-F191 HydrophobicContact CD1-CZ 3.88Å; I159-F191 HydrophobicContact CG2-CD1 4.37Å; I159-F191 HydrophobicContact CG2-CE1 4.34Å; I159-F191 WeakPolarHBondContact O-CA 3.46Å; I159-G192 PolarHBondContact O-N 3.08Å; I159-L220 HydrophobicContact CG2-CD1 3.51Å; I159-L220 HydrophobicContact CG2-CD2 4.15Å; I159-L220 HydrophobicContact CG2-CG 3.81Å; I159-L222 HydrophobicContact CD1-CD1 4.33Å; I159-L222 HydrophobicContact CG1-CD1 3.57Å; I159-L257 HydrophobicContact CD1-CD2 3.24Å
160V97.4Very high91.7Very high0 Ų048.3 Ų48.30%022%0.223CC..EExtended strand (participates in β ladder)trans-115.6123.6-176.1-173.10000110F141 L150 W158 F162 G192 V194 V221 F223F141-V160 HydrophobicContact CD2-CG1 4.09Å; F141-V160 HydrophobicContact CE2-CG1 4.15Å; F141-V160 HydrophobicContact CE2-CG2 3.87Å; L150-V160 HydrophobicContact CD2-CG2 4.27Å; W158-V160 HydrophobicContact CB-CG2 4.16Å; V160-F162 HydrophobicContact CB-CE2 4.19Å; V160-F162 HydrophobicContact CG1-CD2 4.4Å; V160-F162 HydrophobicContact CG1-CE2 4.03Å; V160-F162 HydrophobicContact CG1-CZ 4.33Å; V160-G192 CarbonylContact C-O 3.57Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.46Å; V160-V194 HydrophobicContact CG1-CG1 4.1Å; V160-V221 PolarHBondContact N-O 3.12Å; V160-V221 PolarHBondContact O-N 2.94Å; V160-F223 HydrophobicContact CB-CD2 4.26Å; V160-F223 HydrophobicContact CB-CE2 3.97Å; V160-F223 HydrophobicContact CG2-CD2 3.79Å; V160-F223 HydrophobicContact CG2-CE2 3.92Å
161E97.4Very high91.4Very high0 Ų050.1 Ų50.10%023%0.232CC..EExtended strand (participates in β ladder)trans-89.7117.7169.7-178.2-162.1174.400109.8F163 F173 Y177 G192 K193 V194 P218 S219 L220E161-F163 HydrophobicContact CG-CB 4.22Å; E161-F173 HydrophobicContact CG-CD1 4.28Å; E161-F173 HydrophobicContact CG-CE1 4.04Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.09Å; E161-Y177 HydrophobicContact CB-CD1 4.3Å; E161-Y177 HydrophobicContact CB-CE1 3.96Å; E161-Y177 HydrophobicContact CB-CE2 4.3Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.36Å; E161-G192 PolarHBondContact N-O 3.5Å; E161-K193 HydrophobicContact CB-CG 4.06Å; E161-K193 WeakPolarHBondContact O-CA 3.4Å; E161-K193 IonicContact OE1-NZ 3.48Å; E161-K193 WeakPolarHBondContact OE2-CD 3.47Å; E161-K193 WeakPolarHBondContact OE2-CE 3.41Å; E161-K193 IonicContact OE2-NZ 2.95Å; E161-K193 PolarHBondContact OE2-NZ 3.32Å; E161-V194 PolarHBondContact O-N 3.24Å; E161-P218 HydrophobicContact CG-CB 4.32Å; E161-S219 WeakPolarHBondContact CA-O 3.11Å; E161-L220 HydrophobicContact CB-CD1 4.04Å
162F96.7Very high91.2Very high0 Ų045 Ų450%021%0.209CC..EExtended strand (participates in β ladder)trans-88.7112.3167.1-63.8-99.1000108I146 V160 V194 I196 V202 Y206 V208 L217 S219 V221 F223I146-F162 HydrophobicContact CD1-CE1 4.26Å; I146-F162 HydrophobicContact CD1-CZ 4.33Å; V160-F162 HydrophobicContact CB-CE2 4.19Å; V160-F162 HydrophobicContact CG1-CD2 4.4Å; V160-F162 HydrophobicContact CG1-CE2 4.03Å; V160-F162 HydrophobicContact CG1-CZ 4.33Å; F162-V194 HydrophobicContact CB-CG1 4.33Å; F162-V194 HydrophobicContact CD1-CG1 3.25Å; F162-V194 HydrophobicContact CD2-CG1 4.47Å; F162-V194 HydrophobicContact CE1-CG1 3.53Å; F162-V194 HydrophobicContact CG-CG1 3.79Å; F162-V194 HydrophobicContact CZ-CG1 4.25Å; F162-I196 HydrophobicContact CB-CD1 4.1Å; F162-I196 HydrophobicContact CB-CG1 4.42Å; F162-I196 HydrophobicContact CB-CG2 4.33Å; F162-I196 HydrophobicContact CD1-CG2 3.65Å; F162-I196 HydrophobicContact CG-CG2 4.48Å; F162-V202 HydrophobicContact CD1-CG1 4.3Å; F162-V202 HydrophobicContact CE1-CG1 3.87Å; F162-Y206 HydrophobicContact CE1-CD1 4.22Å; F162-Y206 AromaticContact CE1-CD2 3.62Å; F162-Y206 HydrophobicContact CE1-CD2 3.62Å; F162-Y206 HydrophobicContact CE1-CE2 4.22Å; F162-Y206 AromaticContact CE1-CG 3.6Å; F162-Y206 HydrophobicContact CE1-CG 3.6Å; F162-Y206 AromaticContact CZ-CD1 3.76Å; F162-Y206 HydrophobicContact CZ-CD1 3.76Å; F162-Y206 AromaticContact CZ-CD2 3.98Å; F162-Y206 HydrophobicContact CZ-CD2 3.98Å; F162-Y206 HydrophobicContact CZ-CE1 4.18Å; F162-Y206 HydrophobicContact CZ-CE2 4.38Å; F162-Y206 AromaticContact CZ-CG 3.63Å; F162-Y206 HydrophobicContact CZ-CG 3.63Å; F162-V208 HydrophobicContact CB-CG1 4.34Å; F162-V208 HydrophobicContact CB-CG2 4.44Å; F162-V208 HydrophobicContact CD1-CG2 4.38Å; F162-V208 HydrophobicContact CG-CG2 4.25Å; F162-L217 WeakPolarHBondContact O-CD2 3.38Å; F162-S219 PolarHBondContact N-O 2.89Å; F162-S219 PolarHBondContact O-N 3.35Å; F162-V221 HydrophobicContact CD2-CB 4.32Å; F162-V221 HydrophobicContact CD2-CG2 3.65Å; F162-V221 HydrophobicContact CE2-CB 3.83Å; F162-V221 HydrophobicContact CE2-CG2 3.5Å; F162-V221 VanDerWaalsContact CE2-CG2 3.5Å; F162-F223 HydrophobicContact CE2-CE2 4.13Å; F162-F223 HydrophobicContact CE2-CZ 4.31Å; F162-F223 HydrophobicContact CZ-CE2 4.33Å; F162-F223 HydrophobicContact CZ-CZ 4.21Å
163F95.2Very high91.2Very high19 Ų1937.1 Ų37.18%0.08318%0.18CC..EExtended strand (participates in β ladder)trans-128.8167.1-173.478.3-78.3000111.8E161 N165 C170 K193 V194 D195 I196E161-F163 HydrophobicContact CG-CB 4.22Å; F163-N165 WeakPolarHBondContact CE2-OD1 3.46Å; F163-C170 HydrophobicContact CB-CB 4.09Å; F163-K193 HydrophobicContact CD1-CB 4.15Å; F163-K193 HydrophobicContact CD1-CG 4.36Å; F163-K193 HydrophobicContact CE1-CB 3.81Å; F163-K193 HydrophobicContact CE1-CG 4.38Å; F163-V194 WeakPolarHBondContact CD1-O 3.49Å; F163-V194 VanDerWaalsContact CE1-C 3.44Å; F163-V194 PolarHBondContact N-O 3.06Å; F163-D195 HydrophobicContact CE1-CB 4.04Å; F163-D195 HydrophobicContact CE2-CB 4.27Å; F163-D195 HydrophobicContact CZ-CB 3.78Å; F163-D195 CarbonylContact O-C 3.55Å; F163-D195 WeakPolarHBondContact O-CA 3.44Å; F163-I196 VanDerWaalsContact O-CG1 3.31Å; F163-I196 WeakPolarHBondContact O-CG1 3.2Å; F163-I196 PolarHBondContact O-N 3.34Å
164A93.4Very high91.3Very high0 Ų035.1 Ų35.10%017%0.171CC..  trans-136.5135.1168.500000110.3W166 S167 L217A164-W166 HydrophobicContact CB-CD2 4.27Å; A164-W166 HydrophobicContact CB-CG 4.5Å; A164-W166 HydrophobicContact CB-CZ2 3.8Å; A164-W166 PolarHBondContact O-N 3.32Å; A164-W166 VanDerWaalsContact O-N 3.13Å; A164-S167 PolarHBondContact O-N 3.04Å; A164-L217 HydrophobicContact CB-CD1 3.73Å
165N88.5Confident91.3Very high67 Ų6731.3 Ų31.336%0.35815%0.153SC..THydrogen-bonded Turntrans-61-25.4-174.3-81.3-43.8000114.6F163 Q171 D195F163-N165 WeakPolarHBondContact CE2-OD1 3.46Å; N165-Q171 PolarHBondContact O-NE2 2.61Å; N165-D195 PolarHBondContact ND2-OD2 2.95Å
166W85.6Confident91.5Very high117 Ų11725.3 Ų25.344%0.44313%0.133SC..THydrogen-bonded Turntrans-84.1-13.3178.256.1-101.5000113.6A164 P168 T210 P212 L217A164-W166 HydrophobicContact CB-CD2 4.27Å; A164-W166 HydrophobicContact CB-CG 4.5Å; A164-W166 HydrophobicContact CB-CZ2 3.8Å; A164-W166 PolarHBondContact O-N 3.32Å; A164-W166 VanDerWaalsContact O-N 3.13Å; W166-P168 WeakPolarHBondContact O-CD 3.12Å; W166-T210 WeakPolarHBondContact CH2-O 3.28Å; W166-T210 WeakPolarHBondContact CZ2-O 3.39Å; W166-P212 HydrophobicContact CH2-CB 4.43Å; W166-P212 HydrophobicContact CH2-CG 4Å; W166-P212 HydrophobicContact CZ3-CB 4.08Å; W166-P212 HydrophobicContact CZ3-CG 3.84Å; W166-L217 HydrophobicContact CH2-CD1 3.56Å; W166-L217 HydrophobicContact CZ2-CD1 3.58Å
167S89.3Confident91.6Very high0 Ų024.9 Ų24.90%013%0.13CC..  trans-80.4121.4-178.61620000109.9A164 E169 C170 Q171A164-S167 PolarHBondContact O-N 3.04Å; S167-E169 VanDerWaalsContact C-N 3.3Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 3.44Å; S167-E169 PolarHBondContact OG-OE2 2.81Å; S167-C170 VanDerWaalsContact CB-SG 3.59Å; S167-C170 PolarHBondContact O-N 3.39Å; S167-C170 PolarHBondContact OG-N 2.67Å; S167-C170 PolarHBondContact OG-SG 2.94Å; S167-C170 VanDerWaalsContact OG-SG 3.34Å; S167-Q171 PolarHBondContact O-N 3.42Å
168P84.6Confident91.5Very high83 Ų8324.1 Ų24.154%0.53913%0.125SC..Hα-helixtrans-68.4-30176.928.6-33.9000111.9W166 Q171 S172W166-P168 WeakPolarHBondContact O-CD 3.12Å; P168-Q171 PolarHBondContact O-N 2.91Å; P168-S172 PolarHBondContact O-N 2.83Å; P168-S172 PolarHBondContact O-OG 3.39Å
169E86.9Confident91.4Very high91 Ų9126.8 Ų26.843%0.42514%0.14SC..Hα-helixtrans-62.8-42.9174.6-59.3100.3172.400111.2S167 Q171 S172 F173S167-E169 VanDerWaalsContact C-N 3.3Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 3.44Å; S167-E169 PolarHBondContact OG-OE2 2.81Å; E169-Q171 PolarHBondContact O-N 3.44Å; E169-S172 PolarHBondContact O-N 2.96Å; E169-S172 PolarHBondContact O-OG 3.42Å; E169-F173 WeakPolarHBondContact O-CB 3.49Å; E169-F173 PolarHBondContact O-N 3.44Å
170C91Very high91.3Very high4 Ų426.8 Ų26.83%0.02714%0.14CC..Hα-helixtrans-62.7-42.4176.2-61.60000112.2F163 S167 S172 F173 A174F163-C170 HydrophobicContact CB-CB 4.09Å; S167-C170 VanDerWaalsContact CB-SG 3.59Å; S167-C170 PolarHBondContact O-N 3.39Å; S167-C170 PolarHBondContact OG-N 2.67Å; S167-C170 PolarHBondContact OG-SG 2.94Å; S167-C170 VanDerWaalsContact OG-SG 3.34Å; C170-S172 VanDerWaalsContact C-N 3.33Å; C170-S172 PolarHBondContact O-N 2.99Å; C170-F173 PolarHBondContact O-N 3.45Å; C170-A174 PolarHBondContact O-N 3.44Å
171Q87.1Confident91.2Very high45 Ų4526.8 Ų26.821%0.2114%0.14CC..Hα-helixtrans-60.5-45.9177.3-67.817319.500110.7L131 N165 S167 P168 E169 F173 A174L131-Q171 HydrophobicContact CD2-CG 4.44Å; N165-Q171 PolarHBondContact O-NE2 2.61Å; S167-Q171 PolarHBondContact O-N 3.42Å; P168-Q171 PolarHBondContact O-N 2.91Å; E169-Q171 PolarHBondContact O-N 3.44Å; Q171-F173 VanDerWaalsContact C-N 3.27Å; Q171-F173 PolarHBondContact O-N 3.27Å; Q171-A174 WeakPolarHBondContact O-CB 3.32Å; Q171-A174 PolarHBondContact O-N 2.93Å
172S85.4Confident91.1Very high18 Ų1830.3 Ų30.313%0.12616%0.159CC..Hα-helixtrans-64.6-30.9177.871.50000113.4T85 P168 E169 C170T85-S172 VanDerWaalsContact CG2-O 3.26Å; T85-S172 WeakPolarHBondContact CG2-O 3.46Å; P168-S172 PolarHBondContact O-N 2.83Å; P168-S172 PolarHBondContact O-OG 3.39Å; E169-S172 PolarHBondContact O-N 2.96Å; E169-S172 PolarHBondContact O-OG 3.42Å; C170-S172 VanDerWaalsContact C-N 3.33Å; C170-S172 PolarHBondContact O-N 2.99Å
173F90.5Very high91Very high4 Ų435.3 Ų35.32%0.01818%0.18CC..Hα-helixtrans-80-23.1-179.7179.3-125.9000113.2E161 E169 C170 Q171 A175 V176 Y177 P218 F246 I251E161-F173 HydrophobicContact CG-CD1 4.28Å; E161-F173 HydrophobicContact CG-CE1 4.04Å; E161-F173 WeakPolarHBondContact OE1-CD1 3.09Å; E169-F173 WeakPolarHBondContact O-CB 3.49Å; E169-F173 PolarHBondContact O-N 3.44Å; C170-F173 PolarHBondContact O-N 3.45Å; Q171-F173 VanDerWaalsContact C-N 3.27Å; Q171-F173 PolarHBondContact O-N 3.27Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 3.33Å; F173-V176 HydrophobicContact CD2-CB 4.02Å; F173-V176 HydrophobicContact CD2-CG1 4.38Å; F173-V176 HydrophobicContact CE2-CB 4.08Å; F173-V176 HydrophobicContact CE2-CG1 4.03Å; F173-V176 PolarHBondContact O-N 3.29Å; F173-V176 VanDerWaalsContact O-N 3.08Å; F173-Y177 AromaticContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CG 4.03Å; F173-Y177 AromaticContact CZ-CD2 3.78Å; F173-Y177 HydrophobicContact CZ-CD2 3.78Å; F173-Y177 HydrophobicContact CZ-CG 4.1Å; F173-Y177 PolarHBondContact O-N 3.27Å; F173-P218 HydrophobicContact CB-CG 4.05Å; F173-P218 HydrophobicContact CD1-CB 3.93Å; F173-P218 HydrophobicContact CD1-CG 3.7Å; F173-P218 HydrophobicContact CG-CG 4.04Å; F173-F246 HydrophobicContact CD1-CD1 4.29Å; F173-F246 HydrophobicContact CD2-CB 3.69Å; F173-F246 HydrophobicContact CD2-CD1 4.07Å; F173-F246 HydrophobicContact CD2-CG 4.25Å; F173-F246 HydrophobicContact CE1-CD1 4.14Å; F173-F246 HydrophobicContact CE2-CB 4.08Å; F173-F246 AromaticContact CE2-CD1 3.97Å; F173-F246 HydrophobicContact CE2-CD1 3.97Å; F173-F246 HydrophobicContact CE2-CG 4.5Å; F173-F246 HydrophobicContact CG-CB 4.28Å; F173-F246 HydrophobicContact CG-CD1 4.25Å; F173-F246 HydrophobicContact CG-CG 4.48Å; F173-F246 AromaticContact CZ-CD1 3.98Å; F173-F246 HydrophobicContact CZ-CD1 3.98Å; F173-I251 HydrophobicContact CD2-CD1 4.45Å; F173-I251 HydrophobicContact CE2-CD1 3.31Å; F173-I251 HydrophobicContact CZ-CD1 3.68Å
174A90.5Very high90.9Very high10 Ų1035.5 Ų35.58%0.08318%0.18CC..Hα-helixtrans-54.7-41.1-173.500000113.4Y132 C170 Q171 Y177 A178Y132-A174 HydrophobicContact CG-CB 4.4Å; C170-A174 PolarHBondContact O-N 3.44Å; Q171-A174 WeakPolarHBondContact O-CB 3.32Å; Q171-A174 PolarHBondContact O-N 2.93Å; A174-Y177 PolarHBondContact O-N 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.27Å; A174-A178 PolarHBondContact O-N 3.11Å
175A88.9Confident90.9Very high20 Ų2037.2 Ų37.217%0.16519%0.19CC..Hα-helixtrans-64.2-46.517800000112.5Y132 F173 Y177 A178 D179Y132-A175 HydrophobicContact CD2-CB 3.74Å; Y132-A175 HydrophobicContact CE2-CB 3.64Å; F173-A175 VanDerWaalsContact C-N 3.28Å; F173-A175 PolarHBondContact O-N 3.33Å; A175-Y177 VanDerWaalsContact C-N 3.31Å; A175-Y177 PolarHBondContact O-N 3.07Å; A175-A178 PolarHBondContact O-N 3.02Å; A175-D179 PolarHBondContact O-N 3.28Å
176V91.7Very high91.1Very high18 Ų1835 Ų3511%0.10918%0.179CC..Hα-helixtrans-61.3-43.4178.31790000110.5T85 F173 D179 L180 E248 I251T85-V176 HydrophobicContact CG2-CG2 4.13Å; F173-V176 HydrophobicContact CD2-CB 4.02Å; F173-V176 HydrophobicContact CD2-CG1 4.38Å; F173-V176 HydrophobicContact CE2-CB 4.08Å; F173-V176 HydrophobicContact CE2-CG1 4.03Å; F173-V176 PolarHBondContact O-N 3.29Å; F173-V176 VanDerWaalsContact O-N 3.08Å; V176-D179 PolarHBondContact O-N 3.48Å; V176-L180 HydrophobicContact CG1-CD1 4.3Å; V176-L180 WeakPolarHBondContact O-CG 3.16Å; V176-L180 PolarHBondContact O-N 3.37Å; V176-E248 HydrophobicContact CG1-CB 4.08Å; V176-I251 HydrophobicContact CG1-CD1 4.2Å
177Y95.2Very high91.2Very high1 Ų132.2 Ų32.20%0.00418%0.182CC..Hα-helixtrans-68.1-38.4179.7-169.9-111.3000112.7I138 I159 E161 F173 A174 A175 L180 S181 F191 G192 K193 L220I138-Y177 HydrophobicContact CD1-CD1 3.46Å; I138-Y177 VanDerWaalsContact CD1-CD1 3.46Å; I138-Y177 HydrophobicContact CD1-CE1 3.59Å; I138-Y177 HydrophobicContact CG1-CD1 4.4Å; I138-Y177 HydrophobicContact CG1-CE1 4.08Å; I138-Y177 HydrophobicContact CG2-CE1 4.16Å; I159-Y177 HydrophobicContact CG2-CE2 4.04Å; I159-Y177 PolarHBondContact O-OH 2.83Å; E161-Y177 HydrophobicContact CB-CD1 4.3Å; E161-Y177 HydrophobicContact CB-CE1 3.96Å; E161-Y177 HydrophobicContact CB-CE2 4.3Å; E161-Y177 WeakPolarHBondContact OE2-CD1 3.36Å; F173-Y177 AromaticContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CG 4.03Å; F173-Y177 AromaticContact CZ-CD2 3.78Å; F173-Y177 HydrophobicContact CZ-CD2 3.78Å; F173-Y177 HydrophobicContact CZ-CG 4.1Å; F173-Y177 PolarHBondContact O-N 3.27Å; A174-Y177 PolarHBondContact O-N 3.24Å; A175-Y177 VanDerWaalsContact C-N 3.31Å; A175-Y177 PolarHBondContact O-N 3.07Å; Y177-L180 PolarHBondContact O-N 3.06Å; Y177-S181 WeakPolarHBondContact O-CB 3.35Å; Y177-S181 PolarHBondContact O-N 2.98Å; Y177-F191 HydrophobicContact CD2-CD1 4.38Å; Y177-F191 AromaticContact CE2-CD1 3.57Å; Y177-F191 HydrophobicContact CE2-CD1 3.57Å; Y177-F191 HydrophobicContact CE2-CE1 4.14Å; Y177-F191 AromaticContact CZ-CD1 3.67Å; Y177-G192 PolarHBondContact OH-N 3.42Å; Y177-G192 VanDerWaalsContact OH-N 3.12Å; Y177-G192 PolarHBondContact OH-O 3.38Å; Y177-K193 HydrophobicContact CD1-CD 4.04Å; Y177-K193 HydrophobicContact CD1-CG 4.21Å; Y177-K193 HydrophobicContact CE1-CD 4.04Å; Y177-K193 HydrophobicContact CE1-CG 3.76Å; Y177-L220 HydrophobicContact CD2-CD1 4.05Å; Y177-L220 HydrophobicContact CE2-CD1 3.53Å
178A93.8Very high91.3Very high0 Ų032.5 Ų32.50%018%0.184CC..Hα-helixtrans-61.5-47.2173.100000111.6Y132 E136 A174 A175 L180 S181 L182Y132-A178 HydrophobicContact CD1-CB 4.02Å; Y132-A178 HydrophobicContact CE1-CB 3.3Å; E136-A178 HydrophobicContact CB-CB 3.91Å; A174-A178 WeakPolarHBondContact O-CB 3.27Å; A174-A178 PolarHBondContact O-N 3.11Å; A175-A178 PolarHBondContact O-N 3.02Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.43Å; A178-S181 WeakPolarHBondContact O-CB 3.46Å; A178-S181 PolarHBondContact O-N 3.41Å; A178-S181 VanDerWaalsContact O-N 3.1Å; A178-S181 PolarHBondContact O-OG 2.97Å; A178-L182 WeakPolarHBondContact O-CG 3.44Å; A178-L182 PolarHBondContact O-N 3.38Å
179D92.8Very high91.8Very high64 Ų6428.6 Ų28.634%0.34216%0.159SC..Hα-helixtrans-61.9-42.1178.7-69.7-19.4000111.8A175 V176 S181 L182 K183A175-D179 PolarHBondContact O-N 3.28Å; V176-D179 PolarHBondContact O-N 3.48Å; D179-S181 VanDerWaalsContact C-N 3.33Å; D179-S181 PolarHBondContact O-N 3.28Å; D179-L182 PolarHBondContact O-N 2.9Å; D179-K183 WeakPolarHBondContact O-CG 3.29Å; D179-K183 PolarHBondContact O-N 2.98Å
180L95.2Very high92.2Very high1 Ų127.8 Ų27.81%0.00515%0.154CC..Hα-helixtrans-60.5-42173-75.5173.3000112.1V176 Y177 A178 L182 K183 Y184 F191 E248 I251 I252 L257V176-L180 HydrophobicContact CG1-CD1 4.3Å; V176-L180 WeakPolarHBondContact O-CG 3.16Å; V176-L180 PolarHBondContact O-N 3.37Å; Y177-L180 PolarHBondContact O-N 3.06Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.43Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.37Å; L180-K183 PolarHBondContact O-N 3.06Å; L180-Y184 HydrophobicContact CD2-CD2 3.97Å; L180-Y184 HydrophobicContact CD2-CE2 3.84Å; L180-Y184 WeakPolarHBondContact O-CB 3.23Å; L180-Y184 PolarHBondContact O-N 3.44Å; L180-F191 HydrophobicContact CB-CE1 4.18Å; L180-E248 HydrophobicContact CD2-CG 3.7Å; L180-E248 HydrophobicContact CG-CG 4.18Å; L180-I251 HydrophobicContact CD1-CB 3.97Å; L180-I251 HydrophobicContact CD1-CD1 3.78Å; L180-I251 HydrophobicContact CD1-CG1 4.48Å; L180-I251 HydrophobicContact CD1-CG2 3.65Å; L180-I252 HydrophobicContact CD2-CD1 4.14Å; L180-I252 HydrophobicContact CD2-CG1 3.86Å; L180-L257 HydrophobicContact CD1-CD1 4.49Å; L180-L257 HydrophobicContact CD2-CD1 3.87Å
181S96.1Very high92.5Very high0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-61.7-39.3177.581.20000111.8Y137 I138 Y177 A178 D179 N185Y137-S181 PolarHBondContact N-OG 3.28Å; I138-S181 WeakPolarHBondContact CG1-OG 3.31Å; Y177-S181 WeakPolarHBondContact O-CB 3.35Å; Y177-S181 PolarHBondContact O-N 2.98Å; A178-S181 WeakPolarHBondContact O-CB 3.46Å; A178-S181 PolarHBondContact O-N 3.41Å; A178-S181 VanDerWaalsContact O-N 3.1Å; A178-S181 PolarHBondContact O-OG 2.97Å; D179-S181 VanDerWaalsContact C-N 3.33Å; D179-S181 PolarHBondContact O-N 3.28Å; S181-N185 WeakPolarHBondContact O-CB 3.41Å; S181-N185 PolarHBondContact O-N 2.93Å; S181-N185 VanDerWaalsContact O-N 3.08Å
182L94.5Very high93Very high75 Ų7525.6 Ų25.639%0.39314%0.143SC..Hα-helixtrans-69.3-38.6178.4-67.1174.1000112.1P135 A178 D179 L180P135-L182 HydrophobicContact CB-CD1 4.09Å; P135-L182 HydrophobicContact CB-CD2 4.42Å; P135-L182 HydrophobicContact CG-CD1 3.95Å; P135-L182 WeakPolarHBondContact O-CD1 3.27Å; A178-L182 WeakPolarHBondContact O-CG 3.44Å; A178-L182 PolarHBondContact O-N 3.38Å; D179-L182 PolarHBondContact O-N 2.9Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.37Å
183K94.1Very high93.5Very high105 Ų10525.2 Ų25.246%0.45714%0.139SC..Hα-helixtrans-73.4-43.1-178.7-69174.5-169.7179.60112.8D179 L180 E248D179-K183 WeakPolarHBondContact O-CG 3.29Å; D179-K183 PolarHBondContact O-N 2.98Å; L180-K183 PolarHBondContact O-N 3.06Å; K183-E248 VanDerWaalsContact NZ-CD 3.29Å; K183-E248 IonicContact NZ-OE1 3.82Å; K183-E248 PolarHBondContact NZ-OE1 3.29Å; K183-E248 IonicContact NZ-OE2 2.65Å; K183-E248 PolarHBondContact NZ-OE2 3.31Å
184Y94.4Very high93.7Very high22 Ų2225 Ų259%0.08614%0.139CC..Hα-helixtrans-109.1-4.6-166.8-69.7-80.4000114.9L180 C186 I252 L257 N258 Y261L180-Y184 HydrophobicContact CD2-CD2 3.97Å; L180-Y184 HydrophobicContact CD2-CE2 3.84Å; L180-Y184 WeakPolarHBondContact O-CB 3.23Å; L180-Y184 PolarHBondContact O-N 3.44Å; Y184-C186 PolarHBondContact O-N 2.95Å; Y184-I252 HydrophobicContact CE2-CD1 4.11Å; Y184-I252 HydrophobicContact CE2-CG1 4.07Å; Y184-L257 HydrophobicContact CD1-CB 4.09Å; Y184-L257 HydrophobicContact CD2-CD1 4.16Å; Y184-L257 HydrophobicContact CE1-CB 3.94Å; Y184-L257 HydrophobicContact CE2-CB 4.42Å; Y184-L257 HydrophobicContact CE2-CD1 4.28Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; Y184-N258 VanDerWaalsContact CE1-OD1 3.24Å; Y184-N258 WeakPolarHBondContact CE1-OD1 3.03Å; Y184-N258 PolarHBondContact OH-OD1 3.23Å; Y184-Y261 HydrophobicContact CD1-CD1 4.39Å; Y184-Y261 HydrophobicContact CD1-CD2 4.25Å; Y184-Y261 AromaticContact CD1-CG 3.93Å; Y184-Y261 HydrophobicContact CD1-CG 3.93Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.16Å; Y184-Y261 VanDerWaalsContact O-CE2 3.28Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.12Å
185N93.4Very high94Very high36 Ų3625.7 Ų25.719%0.19314%0.141CC..  trans-64.9133.2177.7174.378.3000111.9Y137 S181 F191Y137-N185 HydrophobicContact CD1-CB 3.88Å; Y137-N185 WeakPolarHBondContact CD1-ND2 3.44Å; Y137-N185 WeakPolarHBondContact CD1-OD1 3.43Å; Y137-N185 WeakPolarHBondContact CE1-ND2 3.45Å; Y137-N185 WeakPolarHBondContact CE1-OD1 3.38Å; Y137-N185 HydrophobicContact CG-CB 4.31Å; S181-N185 WeakPolarHBondContact O-CB 3.41Å; S181-N185 PolarHBondContact O-N 2.93Å; S181-N185 VanDerWaalsContact O-N 3.08Å; N185-F191 HydrophobicContact CB-CD2 4.45Å
186C92.3Very high94.2Very high20 Ų2024.8 Ų24.814%0.13513%0.133CC..BIsolated β-bridgetrans-154.8178.4170.465.50000110.6Y184 G188 L189 Y261 S264Y184-C186 PolarHBondContact O-N 2.95Å; C186-G188 PolarHBondContact O-N 3.47Å; C186-G188 VanDerWaalsContact O-N 3.13Å; C186-L189 PolarHBondContact N-O 3.16Å; C186-L189 CarbonylContact O-C 3.25Å; C186-L189 PolarHBondContact O-N 2.94Å; C186-L189 PolarHBondContact SG-N 2.65Å; C186-Y261 HydrophobicContact CB-CD2 4.41Å; C186-Y261 HydrophobicContact CB-CE2 3.98Å; C186-S264 VanDerWaalsContact SG-CB 3.55Å
187A88.6Confident94.2Very high60 Ų6025.9 Ų25.950%0.49615%0.148SC..THydrogen-bonded Turntrans-58.3-29.7-178.500000114.1N268A187-N268 VanDerWaalsContact CB-ND2 3.34Å; A187-N268 WeakPolarHBondContact CB-ND2 3.08Å; A187-N268 WeakPolarHBondContact CB-OD1 3.1Å
188G90.6Very high94.1Very high6 Ų634.8 Ų34.86%0.06218%0.182CC..THydrogen-bonded Turntrans-98.4-11.2179.300000115.8T157 C186 S264 N268T157-G188 PolarHBondContact N-O 3.42Å; C186-G188 PolarHBondContact O-N 3.47Å; C186-G188 VanDerWaalsContact O-N 3.13Å; G188-S264 PolarHBondContact O-OG 3.36Å; G188-N268 PolarHBondContact N-ND2 3.29Å
189L94.8Very high94.1Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-133116.1178.517862.1000109.5T157 I159 C186 F191 L260T157-L189 HydrophobicContact CG2-CD1 3.73Å; T157-L189 WeakPolarHBondContact O-CA 3.3Å; I159-L189 HydrophobicContact CD1-CD1 3.97Å; I159-L189 HydrophobicContact CG1-CD1 4.21Å; C186-L189 PolarHBondContact N-O 3.16Å; C186-L189 CarbonylContact O-C 3.25Å; C186-L189 PolarHBondContact O-N 2.94Å; C186-L189 PolarHBondContact SG-N 2.65Å; L189-F191 HydrophobicContact CD2-CE2 4.4Å; L189-F191 HydrophobicContact CG-CE2 4.23Å; L189-L260 HydrophobicContact CD2-CB 4.33Å
190K95.5Very high94.1Very high74 Ų7436 Ų3632%0.32219%0.193SC..EExtended strand (participates in β ladder)trans-124.4152.5-176.4-63.4-174.7-175.6176.40111.7V156 T157 W158 I159V156-K190 HydrophobicContact CG1-CB 4.28Å; V156-K190 HydrophobicContact CG1-CD 3.89Å; V156-K190 HydrophobicContact CG1-CG 3.87Å; T157-K190 PolarHBondContact O-N 3.46Å; W158-K190 WeakPolarHBondContact CA-O 3.17Å; 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 3.69Å; W158-K190 HydrophobicContact CH2-CD 3.5Å; W158-K190 HydrophobicContact CH2-CG 4.25Å; W158-K190 HydrophobicContact CZ2-CB 4.09Å; W158-K190 HydrophobicContact CZ2-CD 3.56Å; W158-K190 HydrophobicContact CZ2-CG 4.44Å; W158-K190 HydrophobicContact CZ3-CB 3.36Å; W158-K190 HydrophobicContact CZ3-CD 4.12Å; W158-K190 HydrophobicContact CZ3-CG 4.38Å; I159-K190 PolarHBondContact N-O 2.98Å
191F97.4Very high94Very high3 Ų341.2 Ų41.21%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-110.2141.3179.3-70.8-103.5000109.6I138 K139 I159 Y177 L180 N185 L189I138-F191 HydrophobicContact CG1-CB 4.18Å; K139-F191 PolarHBondContact N-O 3.37Å; I159-F191 HydrophobicContact CB-CD1 4.22Å; I159-F191 HydrophobicContact CB-CE1 4.26Å; I159-F191 HydrophobicContact CD1-CE1 3.91Å; I159-F191 HydrophobicContact CD1-CZ 3.88Å; I159-F191 HydrophobicContact CG2-CD1 4.37Å; I159-F191 HydrophobicContact CG2-CE1 4.34Å; I159-F191 WeakPolarHBondContact O-CA 3.46Å; Y177-F191 HydrophobicContact CD2-CD1 4.38Å; Y177-F191 AromaticContact CE2-CD1 3.57Å; Y177-F191 HydrophobicContact CE2-CD1 3.57Å; Y177-F191 HydrophobicContact CE2-CE1 4.14Å; Y177-F191 AromaticContact CZ-CD1 3.67Å; L180-F191 HydrophobicContact CB-CE1 4.18Å; N185-F191 HydrophobicContact CB-CD2 4.45Å; L189-F191 HydrophobicContact CD2-CE2 4.4Å; L189-F191 HydrophobicContact CG-CE2 4.23Å
192G96.6Very high93.9Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-145.9156.7-178.500000113.9K139 I159 V160 E161 Y177K139-G192 CarbonylContact O-C 3.47Å; K139-G192 WeakPolarHBondContact O-CA 3.45Å; I159-G192 PolarHBondContact O-N 3.08Å; V160-G192 CarbonylContact C-O 3.57Å; V160-G192 VanDerWaalsContact CA-O 3.29Å; V160-G192 WeakPolarHBondContact CA-O 3.46Å; E161-G192 PolarHBondContact N-O 3.5Å; Y177-G192 PolarHBondContact OH-N 3.42Å; Y177-G192 VanDerWaalsContact OH-N 3.12Å; Y177-G192 PolarHBondContact OH-O 3.38Å
193K96.3Very high93.8Very high10 Ų1038.6 Ų38.64%0.04321%0.208CC..EExtended strand (participates in β ladder)trans-132.6139.5-177.7-84.9177.786.2121.60111.1I138 K139 Y140 F141 E161 F163 Y177I138-K193 HydrophobicContact CD1-CD 4.06Å; I138-K193 HydrophobicContact CG2-CB 3.88Å; I138-K193 HydrophobicContact CG2-CD 3.79Å; I138-K193 HydrophobicContact CG2-CG 3.63Å; K139-K193 PolarHBondContact O-N 2.95Å; Y140-K193 WeakPolarHBondContact CA-O 3.28Å; Y140-K193 HydrophobicContact CD1-CB 3.94Å; Y140-K193 HydrophobicContact CE1-CB 3.92Å; Y140-K193 HydrophobicContact CE1-CD 4.16Å; F141-K193 PolarHBondContact N-O 3.22Å; E161-K193 HydrophobicContact CB-CG 4.06Å; E161-K193 WeakPolarHBondContact O-CA 3.4Å; E161-K193 IonicContact OE1-NZ 3.48Å; E161-K193 WeakPolarHBondContact OE2-CD 3.47Å; E161-K193 WeakPolarHBondContact OE2-CE 3.41Å; E161-K193 IonicContact OE2-NZ 2.95Å; E161-K193 PolarHBondContact OE2-NZ 3.32Å; F163-K193 HydrophobicContact CD1-CB 4.15Å; F163-K193 HydrophobicContact CD1-CG 4.36Å; F163-K193 HydrophobicContact CE1-CB 3.81Å; F163-K193 HydrophobicContact CE1-CG 4.38Å; Y177-K193 HydrophobicContact CD1-CD 4.04Å; Y177-K193 HydrophobicContact CD1-CG 4.21Å; Y177-K193 HydrophobicContact CE1-CD 4.04Å; Y177-K193 HydrophobicContact CE1-CG 3.76Å
194V96.1Very high93.7Very high1 Ų140.9 Ų40.91%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-135.8125.5173.962.60000111.1F141 I146 V160 E161 F162 F163 I196 Y199 V202F141-V194 HydrophobicContact CB-CB 4.27Å; F141-V194 HydrophobicContact CB-CG2 4.46Å; I146-V194 HydrophobicContact CD1-CB 4.36Å; I146-V194 HydrophobicContact CD1-CG1 4.16Å; I146-V194 HydrophobicContact CD1-CG2 4.41Å; V160-V194 HydrophobicContact CG1-CG1 4.1Å; E161-V194 PolarHBondContact O-N 3.24Å; F162-V194 HydrophobicContact CB-CG1 4.33Å; F162-V194 HydrophobicContact CD1-CG1 3.25Å; F162-V194 HydrophobicContact CD2-CG1 4.47Å; F162-V194 HydrophobicContact CE1-CG1 3.53Å; F162-V194 HydrophobicContact CG-CG1 3.79Å; F162-V194 HydrophobicContact CZ-CG1 4.25Å; F163-V194 WeakPolarHBondContact CD1-O 3.49Å; F163-V194 VanDerWaalsContact CE1-C 3.44Å; F163-V194 PolarHBondContact N-O 3.06Å; V194-I196 HydrophobicContact CG1-CG2 4.24Å; V194-I196 PolarHBondContact O-N 3.31Å; V194-Y199 HydrophobicContact CG2-CD2 4.09Å; V194-V202 HydrophobicContact CG1-CG1 4.43Å; V194-V202 HydrophobicContact CG2-CG1 3.99Å
195D95.1Very high93.6Very high23 Ų2345.4 Ų45.412%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-81.893.5178.3-175.9-7.8000109.7F163 N165 G197 R198 Y199F163-D195 HydrophobicContact CE1-CB 4.04Å; F163-D195 HydrophobicContact CE2-CB 4.27Å; F163-D195 HydrophobicContact CZ-CB 3.78Å; F163-D195 CarbonylContact O-C 3.55Å; F163-D195 WeakPolarHBondContact O-CA 3.44Å; N165-D195 PolarHBondContact ND2-OD2 2.95Å; D195-G197 VanDerWaalsContact C-N 3.26Å; D195-G197 PolarHBondContact O-N 3.1Å; D195-G197 VanDerWaalsContact OD1-CA 3.3Å; D195-G197 WeakPolarHBondContact OD1-CA 3.4Å; D195-G197 PolarHBondContact OD1-N 3.33Å; D195-R198 HydrophobicContact CB-CB 4.27Å; D195-R198 PolarHBondContact O-N 2.93Å; D195-R198 PolarHBondContact OD1-N 3.42Å; D195-Y199 WeakPolarHBondContact O-CB 3.46Å; D195-Y199 WeakPolarHBondContact O-CD2 3.29Å; D195-Y199 PolarHBondContact O-N 3.21Å
196I94.9Very high93.6Very high2 Ų244.8 Ų44.81%0.0123%0.234CC..THydrogen-bonded Turntrans-78.7-11.8176.958.5163.9000113.4F162 F163 V194 R198 V202 V208 T210 L217F162-I196 HydrophobicContact CB-CD1 4.1Å; F162-I196 HydrophobicContact CB-CG1 4.42Å; F162-I196 HydrophobicContact CB-CG2 4.33Å; F162-I196 HydrophobicContact CD1-CG2 3.65Å; F162-I196 HydrophobicContact CG-CG2 4.48Å; F163-I196 VanDerWaalsContact O-CG1 3.31Å; F163-I196 WeakPolarHBondContact O-CG1 3.2Å; F163-I196 PolarHBondContact O-N 3.34Å; V194-I196 HydrophobicContact CG1-CG2 4.24Å; V194-I196 PolarHBondContact O-N 3.31Å; I196-R198 VanDerWaalsContact C-N 3.26Å; I196-V202 HydrophobicContact CG2-CB 4.21Å; I196-V202 HydrophobicContact CG2-CG1 3.9Å; I196-V208 HydrophobicContact CD1-CB 3.75Å; I196-V208 HydrophobicContact CD1-CG1 3.37Å; I196-T210 HydrophobicContact CB-CG2 4.18Å; I196-T210 HydrophobicContact CD1-CG2 3.73Å; I196-T210 HydrophobicContact CG1-CG2 3.83Å; I196-T210 WeakPolarHBondContact O-CG2 3.5Å; I196-L217 HydrophobicContact CD1-CD2 3.79Å; I196-L217 HydrophobicContact CG1-CD2 4.12Å
197G91.6Very high93.6Very high41 Ų4151.7 Ų51.742%0.42326%0.261SS..THydrogen-bonded Turntrans-66.8-32.2167.300000111.8D195D195-G197 VanDerWaalsContact C-N 3.26Å; D195-G197 PolarHBondContact O-N 3.1Å; D195-G197 VanDerWaalsContact OD1-CA 3.3Å; D195-G197 WeakPolarHBondContact OD1-CA 3.4Å; D195-G197 PolarHBondContact OD1-N 3.33Å
198R92.6Very high93.8Very high188 Ų18848.9 Ų48.971%0.70924%0.238SC*.THydrogen-bonded Turntrans-89-41.7173.4-172.5177-178.4176.9-0.9112.7D195 I196 G200D195-R198 HydrophobicContact CB-CB 4.27Å; D195-R198 PolarHBondContact O-N 2.93Å; D195-R198 PolarHBondContact OD1-N 3.42Å; I196-R198 VanDerWaalsContact C-N 3.26Å; R198-G200 PolarHBondContact O-N 3.39Å
199Y94.3Very high93.8Very high53 Ų5350.7 Ų50.721%0.20825%0.249CC..  trans-101.479.7-174.8-53.6-53.5000111.7D143 V194 D195 D201 V202 S203D143-Y199 HydrophobicContact CB-CD1 3.92Å; D143-Y199 HydrophobicContact CB-CG 4.08Å; V194-Y199 HydrophobicContact CG2-CD2 4.09Å; D195-Y199 WeakPolarHBondContact O-CB 3.46Å; D195-Y199 WeakPolarHBondContact O-CD2 3.29Å; D195-Y199 PolarHBondContact O-N 3.21Å; Y199-D201 PolarHBondContact O-N 3.43Å; Y199-V202 WeakPolarHBondContact O-CB 3.46Å; Y199-V202 PolarHBondContact O-N 3.02Å; Y199-S203 PolarHBondContact O-N 2.93Å
200G91.5Very high93.6Very high35 Ų3553 Ų5336%0.36126%0.264SS..Hα-helixtrans-61.3-27.2-177.700000114.7R198 S203 K204R198-G200 PolarHBondContact O-N 3.39Å; G200-S203 WeakPolarHBondContact O-CB 3.42Å; G200-S203 PolarHBondContact O-N 3.43Å; G200-K204 WeakPolarHBondContact O-CG 3.33Å; G200-K204 PolarHBondContact O-N 2.91Å; G200-K204 VanDerWaalsContact O-N 3.15Å
201D92.9Very high93.3Very high112 Ų11252 Ų5260%0.59927%0.266SS*.Hα-helixtrans-73.1-34.3178.5-62.4-36.1000112.1Y199 K204 K205Y199-D201 PolarHBondContact O-N 3.43Å; D201-K204 PolarHBondContact O-N 2.94Å; D201-K204 IonicContact OD1-NZ 3.28Å; D201-K205 WeakPolarHBondContact O-CB 3.48Å; D201-K205 PolarHBondContact O-N 2.93Å
202V93.9Very high92.7Very high6 Ų656.6 Ų56.64%0.03630%0.296CS..Hα-helixtrans-64.3-44.1171.5-179.40000110.2D143 I146 F162 V194 I196 Y199 K204 K205 Y206D143-V202 HydrophobicContact CB-CG2 3.98Å; I146-V202 HydrophobicContact CD1-CG1 4.31Å; F162-V202 HydrophobicContact CD1-CG1 4.3Å; F162-V202 HydrophobicContact CE1-CG1 3.87Å; V194-V202 HydrophobicContact CG1-CG1 4.43Å; V194-V202 HydrophobicContact CG2-CG1 3.99Å; I196-V202 HydrophobicContact CG2-CB 4.21Å; I196-V202 HydrophobicContact CG2-CG1 3.9Å; Y199-V202 WeakPolarHBondContact O-CB 3.46Å; Y199-V202 PolarHBondContact O-N 3.02Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.74Å; V202-K205 PolarHBondContact O-N 2.77Å; V202-Y206 HydrophobicContact CG1-CD2 3.61Å; V202-Y206 HydrophobicContact CG1-CE2 3.89Å; V202-Y206 WeakPolarHBondContact O-CD2 3.44Å; V202-Y206 PolarHBondContact O-N 3.27Å
203S92.6Very high92.2Very high13 Ų1364.1 Ų64.19%0.09134%0.336CS..Hα-helixtrans-53.1-48174.4163.30000111.8Y199 G200 K207 V208Y199-S203 PolarHBondContact O-N 2.93Å; G200-S203 WeakPolarHBondContact O-CB 3.42Å; G200-S203 PolarHBondContact O-N 3.43Å; S203-K207 WeakPolarHBondContact O-CA 3.23Å; S203-K207 PolarHBondContact O-N 2.96Å; S203-V208 WeakPolarHBondContact CB-O 3.25Å; S203-V208 PolarHBondContact O-N 3.25Å; S203-V208 PolarHBondContact OG-O 3Å
204K92.6Very high91.7Very high153 Ų15364.8 Ų64.867%0.66534%0.341SS*.Hα-helixtrans-65.9-44.7178.2-67.6170.6-169.5163.10111.8G200 D201 V202 K207G200-K204 WeakPolarHBondContact O-CG 3.33Å; G200-K204 PolarHBondContact O-N 2.91Å; G200-K204 VanDerWaalsContact O-N 3.15Å; D201-K204 PolarHBondContact O-N 2.94Å; D201-K204 IonicContact OD1-NZ 3.28Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.74Å; K204-K207 PolarHBondContact O-N 3.43Å
205K92.9Very high91.2Very high118 Ų11871.4 Ų71.451%0.51337%0.37SS..Hα-helixtrans-60-49.7-178.4-172.5-179.9-172.3-1710112.1D147 D201 V202 K207D147-K205 IonicContact OD1-NZ 2.6Å; D147-K205 PolarHBondContact OD1-NZ 3.39Å; D147-K205 IonicContact OD2-NZ 3.66Å; D147-K205 PolarHBondContact OD2-NZ 3.29Å; D201-K205 WeakPolarHBondContact O-CB 3.48Å; D201-K205 PolarHBondContact O-N 2.93Å; V202-K205 PolarHBondContact O-N 2.77Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 2.85Å
206Y92.1Very high91.1Very high23 Ų2370.5 Ų70.59%0.0937%0.365CS..THydrogen-bonded Turntrans-88.12.9-179.1-67.4-85.6000113.6I146 D147 F162 V202 V208 F223 R231I146-Y206 HydrophobicContact CD1-CE2 3.85Å; I146-Y206 HydrophobicContact CG2-CE2 4.38Å; D147-Y206 PolarHBondContact OD1-OH 3.41Å; D147-Y206 VanDerWaalsContact OD1-OH 3.04Å; F162-Y206 HydrophobicContact CE1-CD1 4.22Å; F162-Y206 AromaticContact CE1-CD2 3.62Å; F162-Y206 HydrophobicContact CE1-CD2 3.62Å; F162-Y206 HydrophobicContact CE1-CE2 4.22Å; F162-Y206 AromaticContact CE1-CG 3.6Å; F162-Y206 HydrophobicContact CE1-CG 3.6Å; F162-Y206 AromaticContact CZ-CD1 3.76Å; F162-Y206 HydrophobicContact CZ-CD1 3.76Å; F162-Y206 AromaticContact CZ-CD2 3.98Å; F162-Y206 HydrophobicContact CZ-CD2 3.98Å; F162-Y206 HydrophobicContact CZ-CE1 4.18Å; F162-Y206 HydrophobicContact CZ-CE2 4.38Å; F162-Y206 AromaticContact CZ-CG 3.63Å; F162-Y206 HydrophobicContact CZ-CG 3.63Å; V202-Y206 HydrophobicContact CG1-CD2 3.61Å; V202-Y206 HydrophobicContact CG1-CE2 3.89Å; V202-Y206 WeakPolarHBondContact O-CD2 3.44Å; V202-Y206 PolarHBondContact O-N 3.27Å; Y206-V208 VanDerWaalsContact C-N 3.28Å; Y206-V208 PolarHBondContact O-N 3.36Å; Y206-F223 HydrophobicContact CD1-CE1 4.33Å; Y206-F223 AromaticContact CD1-CZ 3.91Å; Y206-F223 HydrophobicContact CD1-CZ 3.91Å; Y206-F223 AromaticContact CE1-CE1 3.77Å; Y206-F223 HydrophobicContact CE1-CE1 3.77Å; Y206-F223 AromaticContact CE1-CZ 3.56Å; Y206-F223 HydrophobicContact CE1-CZ 3.56Å; Y206-R231 PolarHBondContact O-NH1 3.43Å; Y206-R231 VanDerWaalsContact O-NH1 3.08Å; Y206-R231 PolarHBondContact O-NH2 3.42Å
207K92.7Very high90.9Very high165 Ų16570.9 Ų70.972%0.71737%0.367SS*.THydrogen-bonded Turntrans54.642.3178.7-55.9177.3-177.7176.10112.6S203 K204 K205S203-K207 WeakPolarHBondContact O-CA 3.23Å; S203-K207 PolarHBondContact O-N 2.96Å; K204-K207 PolarHBondContact O-N 3.43Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 2.85Å
208V92.9Very high91.1Very high1 Ų169 Ų691%0.00635%0.347CS..  trans-104.5111.7176.2-174.50000108.5F162 I196 S203 Y206 T210 Q216F162-V208 HydrophobicContact CB-CG1 4.34Å; F162-V208 HydrophobicContact CB-CG2 4.44Å; F162-V208 HydrophobicContact CD1-CG2 4.38Å; F162-V208 HydrophobicContact CG-CG2 4.25Å; I196-V208 HydrophobicContact CD1-CB 3.75Å; I196-V208 HydrophobicContact CD1-CG1 3.37Å; S203-V208 WeakPolarHBondContact CB-O 3.25Å; S203-V208 PolarHBondContact O-N 3.25Å; S203-V208 PolarHBondContact OG-O 3Å; Y206-V208 VanDerWaalsContact C-N 3.28Å; Y206-V208 PolarHBondContact O-N 3.36Å; V208-T210 PolarHBondContact O-N 2.87Å; V208-Q216 HydrophobicContact CG1-CB 4.47Å
209S91.1Very high91.2Very high43 Ų4360 Ų6030%0.30131%0.314SS..  trans-75.1122.8-178.3-177.70000111.5S211 S214S209-S211 VanDerWaalsContact C-N 3.25Å; S209-S211 PolarHBondContact O-N 3.49Å; S209-S211 PolarHBondContact OG-N 2.85Å; S209-S214 PolarHBondContact O-OG 3.46Å; S209-S214 VanDerWaalsContact O-OG 3.07Å; S209-S214 WeakPolarHBondContact OG-CB 3.19Å
210T90.8Very high91.3Very high49 Ų4957.5 Ų57.530%0.30130%0.304SS..  trans-83.47172.954.20000113.5W166 I196 V208W166-T210 WeakPolarHBondContact CH2-O 3.28Å; W166-T210 WeakPolarHBondContact CZ2-O 3.39Å; I196-T210 HydrophobicContact CB-CG2 4.18Å; I196-T210 HydrophobicContact CD1-CG2 3.73Å; I196-T210 HydrophobicContact CG1-CG2 3.83Å; I196-T210 WeakPolarHBondContact O-CG2 3.5Å; V208-T210 PolarHBondContact O-N 2.87Å
211S88.9Confident91.6Very high53 Ų5355.9 Ų55.937%0.37129%0.287SS..  trans-68.1132.4176.91760000110.4S209 L213 S214S209-S211 VanDerWaalsContact C-N 3.25Å; S209-S211 PolarHBondContact O-N 3.49Å; S209-S211 PolarHBondContact OG-N 2.85Å; S211-L213 PolarHBondContact O-N 3.11Å; S211-L213 PolarHBondContact OG-N 3.01Å; S211-S214 WeakPolarHBondContact O-CB 3.46Å; S211-S214 PolarHBondContact O-N 3.14Å; S211-S214 PolarHBondContact O-OG 3.27Å
212P84.5Confident91.8Very high99 Ų9950.8 Ų50.864%0.64326%0.259SS*.THydrogen-bonded Turntrans-56.4-22.9175.4-2533.3000113.9W166W166-P212 HydrophobicContact CH2-CB 4.43Å; W166-P212 HydrophobicContact CH2-CG 4Å; W166-P212 HydrophobicContact CZ3-CB 4.08Å; W166-P212 HydrophobicContact CZ3-CG 3.84Å
213L85.4Confident91.9Very high159 Ų15950.8 Ų50.883%0.83226%0.259SS*.THydrogen-bonded Turntrans-88.3-11.3-180-60.5176.7000113.5S211 K215S211-L213 PolarHBondContact O-N 3.11Å; S211-L213 PolarHBondContact OG-N 3.01Å; L213-K215 PolarHBondContact O-N 2.91Å
214S85.6Confident91.9Very high23 Ų2353.3 Ų53.316%0.16127%0.269CS..SBendtrans-75.1-24.3-172.1760000113.6S209 S211 Q216 A241S209-S214 PolarHBondContact O-OG 3.46Å; S209-S214 VanDerWaalsContact O-OG 3.07Å; S209-S214 WeakPolarHBondContact OG-CB 3.19Å; S211-S214 WeakPolarHBondContact O-CB 3.46Å; S211-S214 PolarHBondContact O-N 3.14Å; S211-S214 PolarHBondContact O-OG 3.27Å; S214-Q216 PolarHBondContact O-N 3.28Å; S214-Q216 VanDerWaalsContact O-N 3.14Å; S214-Q216 PolarHBondContact OG-N 3.4Å; S214-Q216 VanDerWaalsContact OG-N 3.13Å; S214-A241 WeakPolarHBondContact O-CB 3.04Å
215K87.1Confident91.8Very high140 Ų14047.6 Ų47.661%0.60925%0.254SS*.  trans5323-169.8-57.3-177.9179.4-179.60113.9L213 L217 A241L213-K215 PolarHBondContact O-N 2.91Å; K215-L217 VanDerWaalsContact C-N 3.33Å; K215-A241 HydrophobicContact CB-CB 4.19Å; K215-A241 WeakPolarHBondContact O-CB 3.49Å
216Q91.6Very high91.6Very high4 Ų443.4 Ų43.42%0.01924%0.244CC..  trans-87.1-4.4175.8-69.3-17214.100112.7V208 S214 P218 S219 V235 C239 A241V208-Q216 HydrophobicContact CG1-CB 4.47Å; S214-Q216 PolarHBondContact O-N 3.28Å; S214-Q216 VanDerWaalsContact O-N 3.14Å; S214-Q216 PolarHBondContact OG-N 3.4Å; S214-Q216 VanDerWaalsContact OG-N 3.13Å; Q216-P218 CarbonylContact O-C 3.48Å; Q216-P218 VanDerWaalsContact O-C 3.25Å; Q216-P218 VanDerWaalsContact O-O 3.1Å; Q216-S219 WeakPolarHBondContact O-CB 3.47Å; Q216-S219 PolarHBondContact O-N 2.96Å; Q216-S219 PolarHBondContact O-OG 3.46Å; Q216-V235 HydrophobicContact CG-CG2 4.35Å; Q216-C239 PolarHBondContact NE2-O 3.33Å; Q216-A241 HydrophobicContact CG-CB 3.84Å
217L92.3Very high91.5Very high11 Ų1149.9 Ų49.96%0.05827%0.273CS..  trans-107.4136179-78.3173.6000110.5F162 A164 W166 I196 K215F162-L217 WeakPolarHBondContact O-CD2 3.38Å; A164-L217 HydrophobicContact CB-CD1 3.73Å; W166-L217 HydrophobicContact CH2-CD1 3.56Å; W166-L217 HydrophobicContact CZ2-CD1 3.58Å; I196-L217 HydrophobicContact CD1-CD2 3.79Å; I196-L217 HydrophobicContact CG1-CD2 4.12Å; K215-L217 VanDerWaalsContact C-N 3.33Å
218P94.3Very high91.6Very high1 Ų145.7 Ų45.71%0.00626%0.256CS..SBendcis-65.3158.8-13.127.9-31.7000111.6E161 F173 Q216 P233 F246E161-P218 HydrophobicContact CG-CB 4.32Å; F173-P218 HydrophobicContact CB-CG 4.05Å; F173-P218 HydrophobicContact CD1-CB 3.93Å; F173-P218 HydrophobicContact CD1-CG 3.7Å; F173-P218 HydrophobicContact CG-CG 4.04Å; Q216-P218 CarbonylContact O-C 3.48Å; Q216-P218 VanDerWaalsContact O-C 3.25Å; Q216-P218 VanDerWaalsContact O-O 3.1Å; P218-P233 WeakPolarHBondContact O-CD 3.47Å; P218-F246 HydrophobicContact CB-CE1 4.45Å; P218-F246 HydrophobicContact CB-CZ 4.5Å; P218-F246 HydrophobicContact CG-CD1 4.03Å; P218-F246 HydrophobicContact CG-CD2 4.15Å; P218-F246 HydrophobicContact CG-CE1 3.82Å; P218-F246 HydrophobicContact CG-CE2 3.93Å; P218-F246 HydrophobicContact CG-CG 4.21Å; P218-F246 HydrophobicContact CG-CZ 3.78Å; P218-F246 WeakPolarHBondContact O-CZ 3.35Å
219S95.4Very high91.7Very high0 Ų049.6 Ų49.60%028%0.279CS..EExtended strand (participates in β ladder)trans-119.5120.9170.1-91.80000109.5E161 F162 Q216 R232E161-S219 WeakPolarHBondContact CA-O 3.11Å; F162-S219 PolarHBondContact N-O 2.89Å; F162-S219 PolarHBondContact O-N 3.35Å; Q216-S219 WeakPolarHBondContact O-CB 3.47Å; Q216-S219 PolarHBondContact O-N 2.96Å; Q216-S219 PolarHBondContact O-OG 3.46Å; S219-R232 WeakPolarHBondContact CA-O 3.47Å
220L96.8Very high91.8Very high0 Ų049.7 Ų49.70%028%0.276CS..EExtended strand (participates in β ladder)trans-103123.5177.2-164.166000109.5I159 E161 Y177 R231 R232 F246 I251 F255I159-L220 HydrophobicContact CG2-CD1 3.51Å; I159-L220 HydrophobicContact CG2-CD2 4.15Å; I159-L220 HydrophobicContact CG2-CG 3.81Å; E161-L220 HydrophobicContact CB-CD1 4.04Å; Y177-L220 HydrophobicContact CD2-CD1 4.05Å; Y177-L220 HydrophobicContact CE2-CD1 3.53Å; L220-R231 CarbonylContact O-C 3.53Å; L220-R231 VanDerWaalsContact O-CA 3.25Å; L220-R231 WeakPolarHBondContact O-CA 3.32Å; L220-R232 PolarHBondContact N-O 3.3Å; L220-R232 PolarHBondContact O-N 3.33Å; L220-F246 HydrophobicContact CB-CE1 4.39Å; L220-I251 HydrophobicContact CD2-CG1 4.36Å; L220-I251 HydrophobicContact CD2-CG2 3.83Å; L220-F255 HydrophobicContact CB-CE2 4.49Å; L220-F255 HydrophobicContact CB-CZ 3.93Å; L220-F255 HydrophobicContact CD2-CD2 4.25Å; L220-F255 HydrophobicContact CD2-CE1 4.3Å; L220-F255 HydrophobicContact CD2-CE2 3.69Å; L220-F255 HydrophobicContact CD2-CZ 3.72Å; L220-F255 HydrophobicContact CG-CE1 4.22Å; L220-F255 HydrophobicContact CG-CE2 4.3Å; L220-F255 HydrophobicContact CG-CZ 3.8Å
221V96.6Very high92Very high0 Ų049.4 Ų49.40%027%0.269CS..EExtended strand (participates in β ladder)trans-127131.4-175-171.30000110.1V160 F162 F223 E228 M230 R231V160-V221 PolarHBondContact N-O 3.12Å; V160-V221 PolarHBondContact O-N 2.94Å; F162-V221 HydrophobicContact CD2-CB 4.32Å; F162-V221 HydrophobicContact CD2-CG2 3.65Å; F162-V221 HydrophobicContact CE2-CB 3.83Å; F162-V221 HydrophobicContact CE2-CG2 3.5Å; F162-V221 VanDerWaalsContact CE2-CG2 3.5Å; V221-F223 HydrophobicContact CB-CD2 4.45Å; V221-F223 HydrophobicContact CB-CE2 3.73Å; V221-F223 HydrophobicContact CB-CZ 4.14Å; V221-F223 HydrophobicContact CG1-CD2 4.16Å; V221-F223 HydrophobicContact CG1-CE1 4.21Å; V221-F223 HydrophobicContact CG1-CE2 3.54Å; V221-F223 HydrophobicContact CG1-CZ 3.56Å; V221-E228 HydrophobicContact CG1-CB 4.32Å; V221-E228 HydrophobicContact CG1-CG 3.56Å; V221-M230 WeakPolarHBondContact CA-O 3.38Å; V221-R231 HydrophobicContact CB-CB 4.47Å; V221-R231 HydrophobicContact CG1-CB 4.37Å; V221-R231 HydrophobicContact CG2-CB 3.92Å
222L96.8Very high92.3Very high5 Ų548.7 Ų48.73%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-94.8124.3175.4-176.368.6000109.9T157 I159 Q224 V229 M230 F255 L260T157-L222 HydrophobicContact CG2-CD1 3.47Å; T157-L222 VanDerWaalsContact CG2-CD1 3.47Å; T157-L222 HydrophobicContact CG2-CG 4.4Å; I159-L222 HydrophobicContact CD1-CD1 4.33Å; I159-L222 HydrophobicContact CG1-CD1 3.57Å; L222-Q224 HydrophobicContact CG-CG 4.49Å; L222-V229 HydrophobicContact CD2-CB 4.28Å; L222-V229 HydrophobicContact CD2-CG1 4.39Å; L222-V229 HydrophobicContact CG-CB 4.48Å; L222-V229 PolarHBondContact O-N 3.49Å; L222-M230 HydrophobicContact CB-CG 3.62Å; L222-M230 HydrophobicContact CD2-CG 3.86Å; L222-M230 HydrophobicContact CD2-SD 4.07Å; L222-M230 HydrophobicContact CG-CG 4.38Å; L222-M230 PolarHBondContact N-O 2.9Å; L222-F255 HydrophobicContact CB-CD1 3.94Å; L222-F255 HydrophobicContact CB-CE1 4Å; L222-L260 HydrophobicContact CD1-CD1 3.94Å; L222-L260 HydrophobicContact CD2-CD1 4.12Å
223F96.3Very high92.8Very high6 Ų644.1 Ų44.13%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-112129.2174.2-63.7-87.8000110.7L150 T157 W158 V160 F162 Y206 V221 K227 E228L150-F223 HydrophobicContact CD1-CD1 4.23Å; L150-F223 HydrophobicContact CD1-CD2 4.39Å; L150-F223 HydrophobicContact CD1-CE1 4.26Å; L150-F223 HydrophobicContact CD1-CE2 4.4Å; L150-F223 HydrophobicContact CD1-CG 4.3Å; L150-F223 HydrophobicContact CD1-CZ 4.34Å; L150-F223 HydrophobicContact CD2-CB 4.07Å; L150-F223 HydrophobicContact CD2-CD2 4.14Å; L150-F223 HydrophobicContact CD2-CG 4.06Å; T157-F223 WeakPolarHBondContact CA-O 3.4Å; W158-F223 HydrophobicContact CB-CB 4.2Å; W158-F223 PolarHBondContact N-O 2.8Å; W158-F223 PolarHBondContact O-N 2.87Å; V160-F223 HydrophobicContact CB-CD2 4.26Å; V160-F223 HydrophobicContact CB-CE2 3.97Å; V160-F223 HydrophobicContact CG2-CD2 3.79Å; V160-F223 HydrophobicContact CG2-CE2 3.92Å; F162-F223 HydrophobicContact CE2-CE2 4.13Å; F162-F223 HydrophobicContact CE2-CZ 4.31Å; F162-F223 HydrophobicContact CZ-CE2 4.33Å; F162-F223 HydrophobicContact CZ-CZ 4.21Å; Y206-F223 HydrophobicContact CD1-CE1 4.33Å; Y206-F223 AromaticContact CD1-CZ 3.91Å; Y206-F223 HydrophobicContact CD1-CZ 3.91Å; Y206-F223 AromaticContact CE1-CE1 3.77Å; Y206-F223 HydrophobicContact CE1-CE1 3.77Å; Y206-F223 AromaticContact CE1-CZ 3.56Å; Y206-F223 HydrophobicContact CE1-CZ 3.56Å; V221-F223 HydrophobicContact CB-CD2 4.45Å; V221-F223 HydrophobicContact CB-CE2 3.73Å; V221-F223 HydrophobicContact CB-CZ 4.14Å; V221-F223 HydrophobicContact CG1-CD2 4.16Å; V221-F223 HydrophobicContact CG1-CE1 4.21Å; V221-F223 HydrophobicContact CG1-CE2 3.54Å; V221-F223 HydrophobicContact CG1-CZ 3.56Å; F223-K227 CarbonylContact C-O 3.6Å; F223-K227 VanDerWaalsContact CA-O 3.25Å; F223-K227 WeakPolarHBondContact CA-O 3.12Å; F223-E228 HydrophobicContact CD1-CB 4.23Å; F223-E228 HydrophobicContact CE1-CB 3.96Å
224Q93.8Very high93Very high66 Ų6641.4 Ų41.431%0.30821%0.211SC..EExtended strand (participates in β ladder)trans-131.5129171.8-65.6-178.3-14.100108.9T157 L222 G226 K227 V229 L260T157-Q224 HydrophobicContact CG2-CG 3.77Å; L222-Q224 HydrophobicContact CG-CG 4.49Å; Q224-G226 VanDerWaalsContact C-N 3.27Å; Q224-G226 PolarHBondContact O-N 3.46Å; Q224-K227 PolarHBondContact N-O 3.19Å; Q224-K227 PolarHBondContact O-N 3.38Å; Q224-K227 VanDerWaalsContact O-N 3.1Å; Q224-V229 HydrophobicContact CB-CG2 3.69Å; Q224-V229 HydrophobicContact CG-CG2 3.87Å; Q224-L260 VanDerWaalsContact NE2-CD2 3.27Å
225G89.3Confident93.2Very high34 Ų3442.5 Ų42.535%0.35122%0.217SC..THydrogen-bonded Turntrans58.238.3-177.700000113.7N154 K227N154-G225 VanDerWaalsContact O-CA 3.23Å; N154-G225 WeakPolarHBondContact O-CA 3.42Å; N154-G225 PolarHBondContact O-N 3.04Å; G225-K227 PolarHBondContact O-N 3.5Å; G225-K227 VanDerWaalsContact O-N 3.16Å
226G88.3Confident93.2Very high29 Ų2939.3 Ų39.330%0.29921%0.207SC..THydrogen-bonded Turntrans71.21.5-177.700000115.1Q224Q224-G226 VanDerWaalsContact C-N 3.27Å; Q224-G226 PolarHBondContact O-N 3.46Å
227K91.8Very high92.9Very high159 Ų15949.7 Ų49.769%0.69125%0.252SS*.EExtended strand (participates in β ladder)trans-112.2143.6-178.6-66.1-178.7-177.3177.80111.5F223 Q224 G225 V229F223-K227 CarbonylContact C-O 3.6Å; F223-K227 VanDerWaalsContact CA-O 3.25Å; F223-K227 WeakPolarHBondContact CA-O 3.12Å; Q224-K227 PolarHBondContact N-O 3.19Å; Q224-K227 PolarHBondContact O-N 3.38Å; Q224-K227 VanDerWaalsContact O-N 3.1Å; G225-K227 PolarHBondContact O-N 3.5Å; G225-K227 VanDerWaalsContact O-N 3.16Å; K227-V229 PolarHBondContact O-N 3.28Å
228E94.4Very high92.5Very high77 Ų7757 Ų5736%0.3628%0.283SS..EExtended strand (participates in β ladder)trans-68.1123.3170.6177177.5159.800110.4V221 F223 R231V221-E228 HydrophobicContact CG1-CB 4.32Å; V221-E228 HydrophobicContact CG1-CG 3.56Å; F223-E228 HydrophobicContact CD1-CB 4.23Å; F223-E228 HydrophobicContact CE1-CB 3.96Å; E228-R231 VanDerWaalsContact CD-NH2 3.25Å; E228-R231 IonicContact OE1-CZ 2.69Å; E228-R231 VanDerWaalsContact OE1-CZ 3.25Å; E228-R231 IonicContact OE1-NE 3.64Å; E228-R231 PolarHBondContact OE1-NE 3.21Å; E228-R231 IonicContact OE1-NH2 2.83Å; E228-R231 PolarHBondContact OE1-NH2 3.36Å; E228-R231 IonicContact OE2-CZ 2.77Å; E228-R231 IonicContact OE2-NE 3.51Å; E228-R231 IonicContact OE2-NH2 3.62Å; E228-R231 PolarHBondContact OE2-NH2 2.87Å
229V94.3Very high91.7Very high83 Ų8361.3 Ų61.350%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-96.5-45.3177.1178.40000110.7L222 Q224 K227L222-V229 HydrophobicContact CD2-CB 4.28Å; L222-V229 HydrophobicContact CD2-CG1 4.39Å; L222-V229 HydrophobicContact CG-CB 4.48Å; L222-V229 PolarHBondContact O-N 3.49Å; Q224-V229 HydrophobicContact CB-CG2 3.69Å; Q224-V229 HydrophobicContact CG-CG2 3.87Å; K227-V229 PolarHBondContact O-N 3.28Å
230M94.3Very high91.3Very high46 Ų4668.5 Ų68.523%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-155.7157.7-178.362.2174.9-6600111.8V221 L222 R232 E254 F255V221-M230 WeakPolarHBondContact CA-O 3.38Å; L222-M230 HydrophobicContact CB-CG 3.62Å; L222-M230 HydrophobicContact CD2-CG 3.86Å; L222-M230 HydrophobicContact CD2-SD 4.07Å; L222-M230 HydrophobicContact CG-CG 4.38Å; L222-M230 PolarHBondContact N-O 2.9Å; M230-R232 HydrophobicContact CE-CG 4.45Å; M230-E254 WeakPolarHBondContact CE-O 3.2Å; M230-F255 HydrophobicContact CE-CD1 3.89Å; M230-F255 HydrophobicContact CE-CD2 4.12Å; M230-F255 HydrophobicContact CE-CE1 3.92Å; M230-F255 HydrophobicContact CE-CE2 4.14Å; M230-F255 HydrophobicContact CE-CG 4Å; M230-F255 HydrophobicContact CE-CZ 4.04Å; M230-F255 HydrophobicContact CG-CD1 4.14Å; M230-F255 HydrophobicContact CG-CE1 4.05Å; M230-F255 HydrophobicContact SD-CD1 3.81Å; M230-F255 HydrophobicContact SD-CE1 4.17Å; M230-F255 HydrophobicContact SD-CG 4.2Å
231R95Very high90.8Very high42 Ų4269.4 Ų69.416%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-139.1150.6173.766169.865.5-165.2-2.1112.6Y206 L220 V221 E228Y206-R231 PolarHBondContact O-NH1 3.43Å; Y206-R231 VanDerWaalsContact O-NH1 3.08Å; Y206-R231 PolarHBondContact O-NH2 3.42Å; L220-R231 CarbonylContact O-C 3.53Å; L220-R231 VanDerWaalsContact O-CA 3.25Å; L220-R231 WeakPolarHBondContact O-CA 3.32Å; V221-R231 HydrophobicContact CB-CB 4.47Å; V221-R231 HydrophobicContact CG1-CB 4.37Å; V221-R231 HydrophobicContact CG2-CB 3.92Å; E228-R231 VanDerWaalsContact CD-NH2 3.25Å; E228-R231 IonicContact OE1-CZ 2.69Å; E228-R231 VanDerWaalsContact OE1-CZ 3.25Å; E228-R231 IonicContact OE1-NE 3.64Å; E228-R231 PolarHBondContact OE1-NE 3.21Å; E228-R231 IonicContact OE1-NH2 2.83Å; E228-R231 PolarHBondContact OE1-NH2 3.36Å; E228-R231 IonicContact OE2-CZ 2.77Å; E228-R231 IonicContact OE2-NE 3.51Å; E228-R231 IonicContact OE2-NH2 3.62Å; E228-R231 PolarHBondContact OE2-NH2 2.87Å
232R94.9Very high90.5Very high39 Ų3972.6 Ų72.615%0.14737%0.366CS..EExtended strand (participates in β ladder)trans-131.4134.8168.6-66.9-64.7-176.7-175.4-4.3110S219 L220 M230 Q234 W244 E254 F255S219-R232 WeakPolarHBondContact CA-O 3.47Å; L220-R232 PolarHBondContact N-O 3.3Å; L220-R232 PolarHBondContact O-N 3.33Å; M230-R232 HydrophobicContact CE-CG 4.45Å; R232-Q234 VanDerWaalsContact NH1-CG 3.35Å; R232-W244 HydrophobicContact CB-CD2 4.08Å; R232-W244 HydrophobicContact CB-CE3 3.78Å; R232-W244 HydrophobicContact CB-CH2 4.09Å; R232-W244 HydrophobicContact CB-CZ2 4.41Å; R232-W244 HydrophobicContact CB-CZ3 3.78Å; R232-W244 HydrophobicContact CG-CD2 4.36Å; R232-W244 HydrophobicContact CG-CE3 4.47Å; R232-W244 HydrophobicContact CG-CH2 4.24Å; R232-W244 HydrophobicContact CG-CZ2 4.16Å; R232-W244 HydrophobicContact CG-CZ3 4.4Å; R232-E254 IonicContact CZ-OE2 3.64Å; R232-E254 IonicContact NE-OE2 3.25Å; R232-E254 PolarHBondContact NE-OE2 3.47Å; R232-E254 IonicContact NH2-OE1 3.07Å; R232-E254 IonicContact NH2-OE2 2.68Å; R232-E254 PolarHBondContact NH2-OE2 3.18Å; R232-F255 HydrophobicContact CB-CE2 4.03Å; R232-F255 HydrophobicContact CB-CZ 4.04Å; R232-F255 HydrophobicContact CG-CE2 3.69Å; R232-F255 HydrophobicContact CG-CZ 3.9Å
233P94Very high89.8Confident3 Ų377.3 Ų77.32%0.01940%0.399CS..SBendcis-66.6156.7-2.830.9-36.3000112.3P218 A241 V242 W244P218-P233 WeakPolarHBondContact O-CD 3.47Å; P233-A241 HydrophobicContact CB-CB 4.11Å; P233-A241 HydrophobicContact CG-CB 3.78Å; P233-V242 WeakPolarHBondContact CB-O 3.33Å; P233-W244 HydrophobicContact CB-CB 4.27Å
234Q91.3Very high89.5Confident101 Ų10179.1 Ų79.147%0.47241%0.406SS..  trans-69.1143.3170.9-83176.1-12.300109.8R232 A241 V242R232-Q234 VanDerWaalsContact NH1-CG 3.35Å; Q234-A241 WeakPolarHBondContact O-CA 3.25Å; Q234-V242 PolarHBondContact O-N 3.33Å
235V89.9Confident89.1Confident47 Ų4779.1 Ų79.129%0.28541%0.413SS..BIsolated β-bridgetrans-114.1119.6-178.2-179.10000108.9Q216 C239 R240Q216-V235 HydrophobicContact CG-CG2 4.35Å; V235-C239 VanDerWaalsContact CG1-CA 3.48Å; V235-C239 HydrophobicContact CG1-CB 4.42Å; V235-R240 WeakPolarHBondContact CA-O 3.48Å
236D86.3Confident89.2Confident73 Ų7379.1 Ų79.139%0.3940%0.404SS..  trans-62.9165176.4-76-13.9000111.5K238 C239 R240D236-K238 PolarHBondContact O-N 2.61Å; D236-C239 WeakPolarHBondContact O-CA 3.42Å; D236-C239 PolarHBondContact O-N 2.89Å; D236-R240 PolarHBondContact N-O 3.4Å
237K85Confident89.3Confident222 Ų22278.8 Ų78.897%0.96540%0.396SS*.THydrogen-bonded Turntrans-52.8-23.3171.4-63-176.7-179.2-179.70113.9C239K237-C239 VanDerWaalsContact C-N 3.32Å
238K83.1Confident89.3Confident165 Ų16573.4 Ų73.472%0.71737%0.374SS*.THydrogen-bonded Turntrans-90.114.3176.1-61.5-175.6179.6-1780113.6D236 R240D236-K238 PolarHBondContact O-N 2.61Å; K238-R240 HydrophobicContact CB-CG 4.45Å; K238-R240 PolarHBondContact O-N 3.33Å
239C79.3Confident89.2Confident90 Ų9075.9 Ų75.961%0.60839%0.385SS*.SBendtrans59.227.4-176.8-62.30000114.8Q216 V235 D236 K237Q216-C239 PolarHBondContact NE2-O 3.33Å; V235-C239 VanDerWaalsContact CG1-CA 3.48Å; V235-C239 HydrophobicContact CG1-CB 4.42Å; D236-C239 WeakPolarHBondContact O-CA 3.42Å; D236-C239 PolarHBondContact O-N 2.89Å; K237-C239 VanDerWaalsContact C-N 3.32Å
240R85.8Confident89.1Confident151 Ų15173.5 Ų73.557%0.5737%0.369SS*.PPolyproline II helixtrans-98.8131.9176.7-62.9-171.6-56.4179.45.3109.9V235 D236 K238V235-R240 WeakPolarHBondContact CA-O 3.48Å; D236-R240 PolarHBondContact N-O 3.4Å; K238-R240 HydrophobicContact CB-CG 4.45Å; K238-R240 PolarHBondContact O-N 3.33Å
241A87.6Confident89.2Confident19 Ų1971.3 Ų71.316%0.15736%0.359CS..BIsolated β-bridgetrans-73.1131.6174.100000110.8S214 K215 Q216 P233 Q234S214-A241 WeakPolarHBondContact O-CB 3.04Å; K215-A241 HydrophobicContact CB-CB 4.19Å; K215-A241 WeakPolarHBondContact O-CB 3.49Å; Q216-A241 HydrophobicContact CG-CB 3.84Å; P233-A241 HydrophobicContact CB-CB 4.11Å; P233-A241 HydrophobicContact CG-CB 3.78Å; Q234-A241 WeakPolarHBondContact O-CA 3.25Å
242V88.6Confident89.2Confident67 Ų6770.8 Ų70.841%0.40636%0.359SS..PPolyproline II helixtrans-75.6124.8165.2-178.30000107.7P233 Q234 W244P233-V242 WeakPolarHBondContact CB-O 3.33Å; Q234-V242 PolarHBondContact O-N 3.33Å; V242-W244 PolarHBondContact O-N 2.88Å
243S83.9Confident89.2Confident104 Ų10476.4 Ų76.473%0.72738%0.38SS*.PPolyproline II helixtrans-54.7126.7-179.7-169.90000110.3
244W88Confident89.2Confident44 Ų4479.1 Ų79.117%0.16739%0.392CS..  trans-140.9142.9-178.7-173.374.5000110.2R232 P233 V242 F246 N250 I251 E254 F255R232-W244 HydrophobicContact CB-CD2 4.08Å; R232-W244 HydrophobicContact CB-CE3 3.78Å; R232-W244 HydrophobicContact CB-CH2 4.09Å; R232-W244 HydrophobicContact CB-CZ2 4.41Å; R232-W244 HydrophobicContact CB-CZ3 3.78Å; R232-W244 HydrophobicContact CG-CD2 4.36Å; R232-W244 HydrophobicContact CG-CE3 4.47Å; R232-W244 HydrophobicContact CG-CH2 4.24Å; R232-W244 HydrophobicContact CG-CZ2 4.16Å; R232-W244 HydrophobicContact CG-CZ3 4.4Å; P233-W244 HydrophobicContact CB-CB 4.27Å; V242-W244 PolarHBondContact O-N 2.88Å; W244-F246 AromaticContact CE3-CD1 3.91Å; W244-F246 HydrophobicContact CE3-CD1 3.91Å; W244-F246 AromaticContact CE3-CD2 3.97Å; W244-F246 HydrophobicContact CE3-CD2 3.97Å; W244-F246 AromaticContact CE3-CE1 3.82Å; W244-F246 HydrophobicContact CE3-CE1 3.82Å; W244-F246 AromaticContact CE3-CE2 3.9Å; W244-F246 HydrophobicContact CE3-CE2 3.9Å; W244-F246 AromaticContact CE3-CG 3.96Å; W244-F246 HydrophobicContact CE3-CG 3.96Å; W244-F246 AromaticContact CE3-CZ 3.79Å; W244-F246 HydrophobicContact CE3-CZ 3.79Å; W244-F246 HydrophobicContact CZ3-CB 4.48Å; W244-F246 AromaticContact CZ3-CD1 3.43Å; W244-F246 HydrophobicContact CZ3-CD1 3.43Å; W244-F246 VanDerWaalsContact CZ3-CD1 3.43Å; W244-F246 HydrophobicContact CZ3-CD2 4.32Å; W244-F246 AromaticContact CZ3-CE1 3.53Å; W244-F246 HydrophobicContact CZ3-CE1 3.53Å; W244-F246 HydrophobicContact CZ3-CE2 4.4Å; W244-F246 AromaticContact CZ3-CG 3.83Å; W244-F246 HydrophobicContact CZ3-CG 3.83Å; W244-F246 HydrophobicContact CZ3-CZ 4.02Å; W244-N250 HydrophobicContact CH2-CB 4.44Å; W244-N250 HydrophobicContact CZ2-CB 3.8Å; W244-I251 HydrophobicContact CH2-CB 4.49Å; W244-I251 HydrophobicContact CH2-CG1 3.55Å; W244-I251 HydrophobicContact CZ3-CG1 4.17Å; W244-E254 HydrophobicContact CZ2-CB 4.31Å; W244-E254 HydrophobicContact CZ2-CG 3.98Å; W244-F255 HydrophobicContact CH2-CE2 4.34Å
245S87.1Confident89.4Confident66 Ų6674.5 Ų74.546%0.46237%0.371SS..  trans-96.3117.7-176-62.20000110.7T247 N250S245-T247 VanDerWaalsContact C-N 3.27Å; S245-T247 PolarHBondContact O-N 3.25Å; S245-N250 PolarHBondContact O-ND2 2.9Å
246F90.1Very high89.6Confident34 Ų3476 Ų7615%0.14938%0.377CS..  trans-78.868.1177.5-69.8-94.1000111.7F173 P218 L220 W244F173-F246 HydrophobicContact CD1-CD1 4.29Å; F173-F246 HydrophobicContact CD2-CB 3.69Å; F173-F246 HydrophobicContact CD2-CD1 4.07Å; F173-F246 HydrophobicContact CD2-CG 4.25Å; F173-F246 HydrophobicContact CE1-CD1 4.14Å; F173-F246 HydrophobicContact CE2-CB 4.08Å; F173-F246 AromaticContact CE2-CD1 3.97Å; F173-F246 HydrophobicContact CE2-CD1 3.97Å; F173-F246 HydrophobicContact CE2-CG 4.5Å; F173-F246 HydrophobicContact CG-CB 4.28Å; F173-F246 HydrophobicContact CG-CD1 4.25Å; F173-F246 HydrophobicContact CG-CG 4.48Å; F173-F246 AromaticContact CZ-CD1 3.98Å; F173-F246 HydrophobicContact CZ-CD1 3.98Å; P218-F246 HydrophobicContact CB-CE1 4.45Å; P218-F246 HydrophobicContact CB-CZ 4.5Å; P218-F246 HydrophobicContact CG-CD1 4.03Å; P218-F246 HydrophobicContact CG-CD2 4.15Å; P218-F246 HydrophobicContact CG-CE1 3.82Å; P218-F246 HydrophobicContact CG-CE2 3.93Å; P218-F246 HydrophobicContact CG-CG 4.21Å; P218-F246 HydrophobicContact CG-CZ 3.78Å; P218-F246 WeakPolarHBondContact O-CZ 3.35Å; L220-F246 HydrophobicContact CB-CE1 4.39Å; W244-F246 AromaticContact CE3-CD1 3.91Å; W244-F246 HydrophobicContact CE3-CD1 3.91Å; W244-F246 AromaticContact CE3-CD2 3.97Å; W244-F246 HydrophobicContact CE3-CD2 3.97Å; W244-F246 AromaticContact CE3-CE1 3.82Å; W244-F246 HydrophobicContact CE3-CE1 3.82Å; W244-F246 AromaticContact CE3-CE2 3.9Å; W244-F246 HydrophobicContact CE3-CE2 3.9Å; W244-F246 AromaticContact CE3-CG 3.96Å; W244-F246 HydrophobicContact CE3-CG 3.96Å; W244-F246 AromaticContact CE3-CZ 3.79Å; W244-F246 HydrophobicContact CE3-CZ 3.79Å; W244-F246 HydrophobicContact CZ3-CB 4.48Å; W244-F246 AromaticContact CZ3-CD1 3.43Å; W244-F246 HydrophobicContact CZ3-CD1 3.43Å; W244-F246 VanDerWaalsContact CZ3-CD1 3.43Å; W244-F246 HydrophobicContact CZ3-CD2 4.32Å; W244-F246 AromaticContact CZ3-CE1 3.53Å; W244-F246 HydrophobicContact CZ3-CE1 3.53Å; W244-F246 HydrophobicContact CZ3-CE2 4.4Å; W244-F246 AromaticContact CZ3-CG 3.83Å; W244-F246 HydrophobicContact CZ3-CG 3.83Å; W244-F246 HydrophobicContact CZ3-CZ 4.02Å
247T90.8Very high89.9Confident23 Ų2372.5 Ų72.514%0.14136%0.359CS..  trans-97.8156.6169.177.50000110.2I84 S245 E249 N250 I251I84-T247 HydrophobicContact CD1-CG2 3.8Å; I84-T247 HydrophobicContact CG1-CG2 4.24Å; I84-T247 HydrophobicContact CG2-CG2 4.06Å; S245-T247 VanDerWaalsContact C-N 3.27Å; S245-T247 PolarHBondContact O-N 3.25Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 WeakPolarHBondContact CB-OE2 3.31Å; T247-E249 PolarHBondContact O-N 3.33Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å; T247-N250 PolarHBondContact O-N 3.36Å; T247-N250 WeakPolarHBondContact OG1-CB 3.43Å; T247-N250 PolarHBondContact OG1-N 3.41Å; T247-N250 PolarHBondContact OG1-ND2 3.09Å; T247-I251 WeakPolarHBondContact O-CD1 3.26Å; T247-I251 VanDerWaalsContact O-CG1 3.31Å; T247-I251 WeakPolarHBondContact O-CG1 3.45Å; T247-I251 PolarHBondContact O-N 3.37Å; T247-I251 VanDerWaalsContact O-N 3.08Å
248E91.3Very high90.4Very high46 Ų4665.8 Ų65.822%0.21533%0.333CS..Hα-helixtrans-56.1-46.4179-171.1179.8165.400111V176 L180 K183 N250 I251 I252V176-E248 HydrophobicContact CG1-CB 4.08Å; L180-E248 HydrophobicContact CD2-CG 3.7Å; L180-E248 HydrophobicContact CG-CG 4.18Å; K183-E248 VanDerWaalsContact NZ-CD 3.29Å; K183-E248 IonicContact NZ-OE1 3.82Å; K183-E248 PolarHBondContact NZ-OE1 3.29Å; K183-E248 IonicContact NZ-OE2 2.65Å; K183-E248 PolarHBondContact NZ-OE2 3.31Å; E248-N250 PolarHBondContact O-N 3.45Å; E248-I251 PolarHBondContact O-N 3.47Å; E248-I252 HydrophobicContact CG-CD1 3.77Å; E248-I252 HydrophobicContact CG-CG1 4.44Å; E248-I252 WeakPolarHBondContact O-CG1 2.97Å; E248-I252 PolarHBondContact O-N 3.08Å
249E92.1Very high90.9Very high128 Ų12864 Ų6460%0.59833%0.328SS*.Hα-helixtrans-65.1-41.7-176.6-49.775.6-163.100111.4T247 I251 I252 R253T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 WeakPolarHBondContact CB-OE2 3.31Å; T247-E249 PolarHBondContact O-N 3.33Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 2.92Å; E249-I252 PolarHBondContact O-N 3.23Å; E249-R253 VanDerWaalsContact O-CB 3.27Å; E249-R253 WeakPolarHBondContact O-CB 3.23Å; E249-R253 PolarHBondContact O-N 3.49Å
250N93.5Very high91.5Very high33 Ų3360.6 Ų60.618%0.17630%0.303CS..Hα-helixtrans-64.8-38.7177.2-77.2-22.3000111.3W244 S245 T247 E248 R253 E254W244-N250 HydrophobicContact CH2-CB 4.44Å; W244-N250 HydrophobicContact CZ2-CB 3.8Å; S245-N250 PolarHBondContact O-ND2 2.9Å; T247-N250 PolarHBondContact O-N 3.36Å; T247-N250 WeakPolarHBondContact OG1-CB 3.43Å; T247-N250 PolarHBondContact OG1-N 3.41Å; T247-N250 PolarHBondContact OG1-ND2 3.09Å; E248-N250 PolarHBondContact O-N 3.45Å; N250-R253 PolarHBondContact OD1-NH2 3.42Å; N250-R253 VanDerWaalsContact OD1-NH2 3.16Å; N250-E254 WeakPolarHBondContact O-CB 3.14Å; N250-E254 WeakPolarHBondContact O-CG 3.04Å; N250-E254 PolarHBondContact O-N 3.07Å
251I95.1Very high91.9Very high1 Ų155.3 Ų55.31%0.00528%0.283CS..Hα-helixtrans-68.8-47.3178.3-64.8158.8000110.2F173 V176 L180 L220 W244 T247 E248 E249 R253 E254 F255 L257F173-I251 HydrophobicContact CD2-CD1 4.45Å; F173-I251 HydrophobicContact CE2-CD1 3.31Å; F173-I251 HydrophobicContact CZ-CD1 3.68Å; V176-I251 HydrophobicContact CG1-CD1 4.2Å; L180-I251 HydrophobicContact CD1-CB 3.97Å; L180-I251 HydrophobicContact CD1-CD1 3.78Å; L180-I251 HydrophobicContact CD1-CG1 4.48Å; L180-I251 HydrophobicContact CD1-CG2 3.65Å; L220-I251 HydrophobicContact CD2-CG1 4.36Å; L220-I251 HydrophobicContact CD2-CG2 3.83Å; W244-I251 HydrophobicContact CH2-CB 4.49Å; W244-I251 HydrophobicContact CH2-CG1 3.55Å; W244-I251 HydrophobicContact CZ3-CG1 4.17Å; T247-I251 WeakPolarHBondContact O-CD1 3.26Å; T247-I251 VanDerWaalsContact O-CG1 3.31Å; T247-I251 WeakPolarHBondContact O-CG1 3.45Å; T247-I251 PolarHBondContact O-N 3.37Å; T247-I251 VanDerWaalsContact O-N 3.08Å; E248-I251 PolarHBondContact O-N 3.47Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 2.92Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.37Å; I251-E254 PolarHBondContact O-N 3Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 WeakPolarHBondContact O-CB 3.12Å; I251-F255 WeakPolarHBondContact O-CD2 3.28Å; I251-F255 PolarHBondContact O-N 3.38Å; I251-L257 HydrophobicContact CG2-CD1 3.98Å
252I95.3Very high92.1Very high30 Ų3059.2 Ų59.215%0.15430%0.298CS..Hα-helixtrans-56.5-47.3178.4-68.8168000110.6L180 Y184 E248 E249 N256 L257L180-I252 HydrophobicContact CD2-CD1 4.14Å; L180-I252 HydrophobicContact CD2-CG1 3.86Å; Y184-I252 HydrophobicContact CE2-CD1 4.11Å; Y184-I252 HydrophobicContact CE2-CG1 4.07Å; E248-I252 HydrophobicContact CG-CD1 3.77Å; E248-I252 HydrophobicContact CG-CG1 4.44Å; E248-I252 WeakPolarHBondContact O-CG1 2.97Å; E248-I252 PolarHBondContact O-N 3.08Å; E249-I252 PolarHBondContact O-N 3.23Å; I252-N256 WeakPolarHBondContact O-CA 3.46Å; I252-N256 PolarHBondContact O-N 3.41Å; I252-N256 VanDerWaalsContact O-N 3.1Å; I252-L257 HydrophobicContact CG1-CD1 4.01Å; I252-L257 HydrophobicContact CG2-CB 4.5Å; I252-L257 PolarHBondContact O-N 3.46Å
253R94.7Very high92.2Very high157 Ų15762.4 Ų62.459%0.59231%0.307SS*.Hα-helixtrans-70-45.4-178.3-175.1-178.764-175.5-6.9113.1E249 N250 I251 N256E249-R253 VanDerWaalsContact O-CB 3.27Å; E249-R253 WeakPolarHBondContact O-CB 3.23Å; E249-R253 PolarHBondContact O-N 3.49Å; N250-R253 PolarHBondContact OD1-NH2 3.42Å; N250-R253 VanDerWaalsContact OD1-NH2 3.16Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.37Å; R253-N256 PolarHBondContact O-OD1 3.28Å
254E94.6Very high92.4Very high60 Ų6057.9 Ų57.928%0.2828%0.275SS..Hα-helixtrans-74.6-37.3-174.9-71.4-75.2167.400112.3M230 R232 W244 N250 I251 N256M230-E254 WeakPolarHBondContact CE-O 3.2Å; R232-E254 IonicContact CZ-OE2 3.64Å; R232-E254 IonicContact NE-OE2 3.25Å; R232-E254 PolarHBondContact NE-OE2 3.47Å; R232-E254 IonicContact NH2-OE1 3.07Å; R232-E254 IonicContact NH2-OE2 2.68Å; R232-E254 PolarHBondContact NH2-OE2 3.18Å; W244-E254 HydrophobicContact CZ2-CB 4.31Å; W244-E254 HydrophobicContact CZ2-CG 3.98Å; N250-E254 WeakPolarHBondContact O-CB 3.14Å; N250-E254 WeakPolarHBondContact O-CG 3.04Å; N250-E254 PolarHBondContact O-N 3.07Å; I251-E254 PolarHBondContact O-N 3Å; E254-N256 VanDerWaalsContact C-N 3.33Å
255F94.7Very high92.3Very high4 Ų460.7 Ų60.72%0.01829%0.289CS..THydrogen-bonded Turntrans-90.42.1179-70.2-99.9000112.9L220 L222 M230 R232 W244 I251 L257 L260L220-F255 HydrophobicContact CB-CE2 4.49Å; L220-F255 HydrophobicContact CB-CZ 3.93Å; L220-F255 HydrophobicContact CD2-CD2 4.25Å; L220-F255 HydrophobicContact CD2-CE1 4.3Å; L220-F255 HydrophobicContact CD2-CE2 3.69Å; L220-F255 HydrophobicContact CD2-CZ 3.72Å; L220-F255 HydrophobicContact CG-CE1 4.22Å; L220-F255 HydrophobicContact CG-CE2 4.3Å; L220-F255 HydrophobicContact CG-CZ 3.8Å; L222-F255 HydrophobicContact CB-CD1 3.94Å; L222-F255 HydrophobicContact CB-CE1 4Å; M230-F255 HydrophobicContact CE-CD1 3.89Å; M230-F255 HydrophobicContact CE-CD2 4.12Å; M230-F255 HydrophobicContact CE-CE1 3.92Å; M230-F255 HydrophobicContact CE-CE2 4.14Å; M230-F255 HydrophobicContact CE-CG 4Å; M230-F255 HydrophobicContact CE-CZ 4.04Å; M230-F255 HydrophobicContact CG-CD1 4.14Å; M230-F255 HydrophobicContact CG-CE1 4.05Å; M230-F255 HydrophobicContact SD-CD1 3.81Å; M230-F255 HydrophobicContact SD-CE1 4.17Å; M230-F255 HydrophobicContact SD-CG 4.2Å; R232-F255 HydrophobicContact CB-CE2 4.03Å; R232-F255 HydrophobicContact CB-CZ 4.04Å; R232-F255 HydrophobicContact CG-CE2 3.69Å; R232-F255 HydrophobicContact CG-CZ 3.9Å; W244-F255 HydrophobicContact CH2-CE2 4.34Å; I251-F255 HydrophobicContact CG2-CD2 4.01Å; I251-F255 WeakPolarHBondContact O-CB 3.12Å; I251-F255 WeakPolarHBondContact O-CD2 3.28Å; I251-F255 PolarHBondContact O-N 3.38Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 HydrophobicContact CB-CD2 3.74Å; F255-L257 HydrophobicContact CB-CG 4.13Å; F255-L257 PolarHBondContact O-N 3.01Å; F255-L260 WeakPolarHBondContact O-CD1 3.39Å
256N94.4Very high92.2Very high79 Ų7964.6 Ų64.642%0.42230%0.297SS..THydrogen-bonded Turntrans46.447.9-174.9-67.7-16.8000112.7I252 R253 E254 N258 E259 L260I252-N256 WeakPolarHBondContact O-CA 3.46Å; I252-N256 PolarHBondContact O-N 3.41Å; I252-N256 VanDerWaalsContact O-N 3.1Å; R253-N256 PolarHBondContact O-OD1 3.28Å; E254-N256 VanDerWaalsContact C-N 3.33Å; N256-N258 PolarHBondContact O-N 2.92Å; N256-E259 HydrophobicContact CB-CB 4.38Å; N256-E259 HydrophobicContact CB-CG 4.49Å; N256-E259 PolarHBondContact O-N 3.24Å; N256-E259 VanDerWaalsContact O-N 3.13Å; N256-L260 WeakPolarHBondContact O-CG 3.19Å; N256-L260 PolarHBondContact O-N 3.29Å
257L94Very high91.4Very high0 Ų067.4 Ų67.40%031%0.313CS..Hα-helixtrans-58.7-36.2-171.5-66.4-171.6000113I159 L180 Y184 I251 I252 F255 L260 Y261I159-L257 HydrophobicContact CD1-CD2 3.24Å; L180-L257 HydrophobicContact CD1-CD1 4.49Å; L180-L257 HydrophobicContact CD2-CD1 3.87Å; Y184-L257 HydrophobicContact CD1-CB 4.09Å; Y184-L257 HydrophobicContact CD2-CD1 4.16Å; Y184-L257 HydrophobicContact CE1-CB 3.94Å; Y184-L257 HydrophobicContact CE2-CB 4.42Å; Y184-L257 HydrophobicContact CE2-CD1 4.28Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; I251-L257 HydrophobicContact CG2-CD1 3.98Å; I252-L257 HydrophobicContact CG1-CD1 4.01Å; I252-L257 HydrophobicContact CG2-CB 4.5Å; I252-L257 PolarHBondContact O-N 3.46Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 HydrophobicContact CB-CD2 3.74Å; F255-L257 HydrophobicContact CB-CG 4.13Å; F255-L257 PolarHBondContact O-N 3.01Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-Y261 WeakPolarHBondContact O-CB 3.33Å; L257-Y261 PolarHBondContact O-N 2.86Å
258N94.4Very high90.2Very high81 Ų8169.2 Ų69.243%0.43332%0.322SS..Hα-helixtrans-60.2-48.9177.4-68.9-24.5000111.7Y184 N256 Y261 Q262Y184-N258 VanDerWaalsContact CE1-OD1 3.24Å; Y184-N258 WeakPolarHBondContact CE1-OD1 3.03Å; Y184-N258 PolarHBondContact OH-OD1 3.23Å; N256-N258 PolarHBondContact O-N 2.92Å; N258-Y261 PolarHBondContact O-N 3.31Å; N258-Q262 WeakPolarHBondContact O-CG 3.26Å; N258-Q262 PolarHBondContact O-N 2.85Å
259E93.4Very high88.8Confident128 Ų12875.7 Ų75.760%0.59835%0.35SS*.Hα-helixtrans-65.9-45178.8-62.7-177.2166.700111.6N256 Y261 Q262 K263N256-E259 HydrophobicContact CB-CB 4.38Å; N256-E259 HydrophobicContact CB-CG 4.49Å; N256-E259 PolarHBondContact O-N 3.24Å; N256-E259 VanDerWaalsContact O-N 3.13Å; E259-Y261 VanDerWaalsContact C-N 3.27Å; E259-Y261 PolarHBondContact O-N 3.5Å; E259-Q262 PolarHBondContact O-N 3.2Å; E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.4Å; E259-K263 PolarHBondContact O-N 3.4Å
260L92.8Very high87.2Confident18 Ų1874.8 Ų74.89%0.09436%0.357CS..Hα-helixtrans-59.2-41.4177.9-70.1-178000111.5T157 L189 L222 Q224 F255 N256 L257 S264T157-L260 HydrophobicContact CG2-CD1 4.42Å; L189-L260 HydrophobicContact CD2-CB 4.33Å; L222-L260 HydrophobicContact CD1-CD1 3.94Å; L222-L260 HydrophobicContact CD2-CD1 4.12Å; Q224-L260 VanDerWaalsContact NE2-CD2 3.27Å; F255-L260 WeakPolarHBondContact O-CD1 3.39Å; N256-L260 WeakPolarHBondContact O-CG 3.19Å; N256-L260 PolarHBondContact O-N 3.29Å; L257-L260 PolarHBondContact O-N 3.42Å; L260-S264 WeakPolarHBondContact O-CB 3.45Å; L260-S264 PolarHBondContact O-N 3.02Å; L260-S264 PolarHBondContact O-OG 3.12Å
261Y92.9Very high85.2Confident39 Ų3979.5 Ų79.515%0.15338%0.376CS..Hα-helixtrans-67.5-47178.9-177.7-113.7000112.4Y184 C186 L257 N258 E259 K263 S264 K265Y184-Y261 HydrophobicContact CD1-CD1 4.39Å; Y184-Y261 HydrophobicContact CD1-CD2 4.25Å; Y184-Y261 AromaticContact CD1-CG 3.93Å; Y184-Y261 HydrophobicContact CD1-CG 3.93Å; Y184-Y261 WeakPolarHBondContact O-CD2 3.16Å; Y184-Y261 VanDerWaalsContact O-CE2 3.28Å; Y184-Y261 WeakPolarHBondContact O-CE2 3.12Å; C186-Y261 HydrophobicContact CB-CD2 4.41Å; C186-Y261 HydrophobicContact CB-CE2 3.98Å; L257-Y261 WeakPolarHBondContact O-CB 3.33Å; L257-Y261 PolarHBondContact O-N 2.86Å; N258-Y261 PolarHBondContact O-N 3.31Å; E259-Y261 VanDerWaalsContact C-N 3.27Å; E259-Y261 PolarHBondContact O-N 3.5Å; Y261-K263 PolarHBondContact O-N 3.24Å; Y261-S264 PolarHBondContact O-N 3.42Å; Y261-K265 HydrophobicContact CD1-CD 4.3Å; Y261-K265 HydrophobicContact CE1-CD 3.8Å; Y261-K265 VanDerWaalsContact CE1-CE 3.44Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.27Å; Y261-K265 VanDerWaalsContact CZ-NZ 3.28Å; Y261-K265 PolarHBondContact O-N 2.86Å; Y261-K265 WeakPolarHBondContact OH-CE 3.24Å; Y261-K265 PolarHBondContact OH-NZ 2.82Å
262Q92.3Very high82.9Confident101 Ų10182 Ų8247%0.47240%0.402SS..Hα-helixtrans-61.4-44.6176.5-71.4-176.115.200111.7N258 E259 S264 K265 K266N258-Q262 WeakPolarHBondContact O-CG 3.26Å; N258-Q262 PolarHBondContact O-N 2.85Å; E259-Q262 PolarHBondContact O-N 3.2Å; Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.43Å; Q262-K265 PolarHBondContact O-N 2.88Å; Q262-K266 WeakPolarHBondContact O-CG 3.46Å; Q262-K266 PolarHBondContact O-N 3.45Å
263K90.4Very high80.6Confident135 Ų13588 Ų8859%0.58744%0.435SS*.Hα-helixtrans-59.8-44.5176.1-175.4178.2-179.9179.60111.4E259 Y261 K266 L267E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.4Å; E259-K263 PolarHBondContact O-N 3.4Å; Y261-K263 PolarHBondContact O-N 3.24Å; K263-K266 PolarHBondContact O-N 3.37Å; K263-L267 PolarHBondContact O-N 2.05Å; K263-L267 VanDerWaalsContact O-N 3.08Å
264S88.2Confident77.9Confident9 Ų991.6 Ų91.66%0.06345%0.448CS..Hα-helixtrans-66.4-37179.2-63.10000112.5C186 G188 L260 Y261 Q262 N268C186-S264 VanDerWaalsContact SG-CB 3.55Å; G188-S264 PolarHBondContact O-OG 3.36Å; L260-S264 WeakPolarHBondContact O-CB 3.45Å; L260-S264 PolarHBondContact O-N 3.02Å; L260-S264 PolarHBondContact O-OG 3.12Å; Y261-S264 PolarHBondContact O-N 3.42Å; Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.43Å; S264-N268 PolarHBondContact O-N 3.22Å; S264-N268 PolarHBondContact O-ND2 2.93Å
265K87Confident75.1Confident103 Ų10391.7 Ų91.745%0.44847%0.466SS..Hα-helixtrans-66.1-44.9173-83.9-172.9165174.80112.4Y261 Q262 L267 N268 K269Y261-K265 HydrophobicContact CD1-CD 4.3Å; Y261-K265 HydrophobicContact CE1-CD 3.8Å; Y261-K265 VanDerWaalsContact CE1-CE 3.44Å; Y261-K265 VanDerWaalsContact CE1-NZ 3.27Å; Y261-K265 VanDerWaalsContact CZ-NZ 3.28Å; Y261-K265 PolarHBondContact O-N 2.86Å; Y261-K265 WeakPolarHBondContact OH-CE 3.24Å; Y261-K265 PolarHBondContact OH-NZ 2.82Å; Q262-K265 PolarHBondContact O-N 2.88Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.38Å; K265-N268 PolarHBondContact O-N 3.08Å; K265-N268 VanDerWaalsContact O-N 3.14Å; K265-K269 PolarHBondContact O-N 3.03Å
266K83.9Confident72.1Confident147 Ų14798.8 Ų98.864%0.63950%0.503SS*.Hα-helixtrans-60.6-41.7178.6-72.5174.2-177.7176.40111.9Q262 K263 N268 K269 S270Q262-K266 WeakPolarHBondContact O-CG 3.46Å; Q262-K266 PolarHBondContact O-N 3.45Å; K263-K266 PolarHBondContact O-N 3.37Å; K266-N268 PolarHBondContact O-N 3.38Å; K266-K269 PolarHBondContact O-N 2.65Å; K266-S270 PolarHBondContact O-N 2.92Å; K266-S270 VanDerWaalsContact O-N 3.16Å
267L73.3Confident69.3Low93 Ų93105.3 Ų105.349%0.48753%0.528SS..Hα-helixtrans-58.4-35.6176.1-126.788.8000112.6R155 K263 K265R155-L267 HydrophobicContact CB-CD2 4.3Å; K263-L267 PolarHBondContact O-N 2.05Å; K263-L267 VanDerWaalsContact O-N 3.08Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.38Å
268N65.1Low66.6Low61 Ų61112.7 Ų112.733%0.32657%0.566SS.*Hα-helixtrans-79.3-37.8178.6-71.8-54.1000112.4A187 G188 S264 K265 K266 S270 K271 G272A187-N268 VanDerWaalsContact CB-ND2 3.34Å; A187-N268 WeakPolarHBondContact CB-ND2 3.08Å; A187-N268 WeakPolarHBondContact CB-OD1 3.1Å; G188-N268 PolarHBondContact N-ND2 3.29Å; S264-N268 PolarHBondContact O-N 3.22Å; S264-N268 PolarHBondContact O-ND2 2.93Å; K265-N268 PolarHBondContact O-N 3.08Å; K265-N268 VanDerWaalsContact O-N 3.14Å; K266-N268 PolarHBondContact O-N 3.38Å; N268-S270 VanDerWaalsContact C-N 3.33Å; N268-S270 PolarHBondContact O-N 3.44Å; N268-K271 PolarHBondContact O-N 3.48Å; N268-G272 PolarHBondContact O-N 2.63Å
269K62.7Low63.7Low183 Ų183116.4 Ų116.480%0.79659%0.586SS**Hα-helixtrans-64.3-35.6178.1-165.9174.3-178.4177.40112.7K265 K266 K271 G272K265-K269 PolarHBondContact O-N 3.03Å; K266-K269 PolarHBondContact O-N 2.65Å; K269-K271 PolarHBondContact O-N 3.35Å; K269-K271 VanDerWaalsContact O-N 3.15Å; K269-G272 PolarHBondContact O-N 3.48Å
270S58Low61Low109 Ų109119.1 Ų119.176%0.76260%0.599SS**THydrogen-bonded Turntrans-62.6-17172.5-175.80000113.7K266 N268K266-S270 PolarHBondContact O-N 2.92Å; K266-S270 VanDerWaalsContact O-N 3.16Å; N268-S270 VanDerWaalsContact C-N 3.33Å; N268-S270 PolarHBondContact O-N 3.44Å
271K51.6Low58.4Low131 Ų131122.3 Ų122.357%0.5762%0.622SS**THydrogen-bonded Turntrans-104.5-19.6178.2-109.5-177.7170.7-172.30113.6N268 K269 D273 R274N268-K271 PolarHBondContact O-N 3.48Å; K269-K271 PolarHBondContact O-N 3.35Å; K269-K271 VanDerWaalsContact O-N 3.15Å; K271-D273 PolarHBondContact O-N 3.22Å; K271-D273 VanDerWaalsContact O-N 3.09Å; K271-R274 PolarHBondContact O-N 2.69Å; K271-R274 VanDerWaalsContact O-N 3.17Å
272G48Very low55.5Low54 Ų54129.2 Ų129.256%0.55766%0.656SS**THydrogen-bonded Turntrans-65.6-5.8-179.300000115.3N268 K269 R274N268-G272 PolarHBondContact O-N 2.63Å; K269-G272 PolarHBondContact O-N 3.48Å; G272-R274 PolarHBondContact O-N 2.98Å
273D45.5Very low52.8Low155 Ų155133.1 Ų133.183%0.82967%0.672SS**THydrogen-bonded Turntrans-78.63.3171.3-148.226000113.1K271K271-D273 PolarHBondContact O-N 3.22Å; K271-D273 VanDerWaalsContact O-N 3.09Å
274R38.7Very low50Low234 Ų234132 Ų13288%0.88368%0.678SS**SBendtrans-138.984.6163-68.3-174-155.8175.66.7111.1K271 G272K271-R274 PolarHBondContact O-N 2.69Å; K271-R274 VanDerWaalsContact O-N 3.17Å; G272-R274 PolarHBondContact O-N 2.98Å
275G36.3Very low47.5Very low62 Ų62137.3 Ų137.364%0.63971%0.713SS**SBendtrans66.793.4151.100000117.5
276D31.1Very low45.1Very low152 Ų152138.4 Ų138.481%0.81373%0.728SS**  167.7124115.5-91.2-21.3000110I278D276-I278 PolarHBondContact O-N 3.48Å
277K35.9Very low42.6Very low217 Ų217136.8 Ų136.894%0.94373%0.732SS**  trans-75.5112.3172.9-70.3-179178-179.10108.3
278I36.5Very low40.7Very low154 Ų154140.7 Ų140.779%0.7975%0.748SS**  trans-114.1127167.1-60178.4000108.2D276 E280D276-I278 PolarHBondContact O-N 3.48Å; I278-E280 PolarHBondContact O-N 2.65Å
279N34.2Very low39.1Very low159 Ų159146.6 Ų146.685%0.8577%0.774SS**  trans-33.9116.1-173-72.1-20.9000114.9
280E37.3Very low37.4Very low186 Ų186146.7 Ų146.787%0.86978%0.777SS**  trans-59.3132.7164.4-72.9177147.200109.8I278 Q282I278-E280 PolarHBondContact O-N 2.65Å; E280-Q282 PolarHBondContact O-N 2.92Å
281S36.7Very low36.1Very low85 Ų85150.1 Ų150.159%0.59478%0.781SS**  trans-54.9124.7172.749.50000110.6F283S281-F283 PolarHBondContact O-N 2.82Å
282Q32.8Very low35Very low184 Ų184149.6 Ų149.686%0.8679%0.791SS**SBendtrans-79.561.9-176.9-157.7175.621.500111.6E280E280-Q282 PolarHBondContact O-N 2.92Å
283F34.9Very low34Very low183 Ų183156.2 Ų156.280%0.80381%0.807SS**SBendtrans-146.9142.8166.9-76.5-76.2000109.9S281S281-F283 PolarHBondContact O-N 2.82Å
284P32.9Very low33.3Very low111 Ų111155.5 Ų155.572%0.72181%0.808SS**PPolyproline II helixtrans-63.9149.6-170.724.9-32.2000111.7
285P36.3Very low32.7Very low121 Ų121151 Ų15179%0.78680%0.802SS**PPolyproline II helixtrans-56.6141.2174.2-16.828.5000110.6
286V36.6Very low32.3Very low126 Ų126152.7 Ų152.776%0.76481%0.81SS**PPolyproline II helixtrans-59.4129.5166-177.10000107.3E288V286-E288 PolarHBondContact O-N 2.78Å
287P31.2Very low32.2Very low113 Ų113154 Ų15473%0.73481%0.811SS**PPolyproline II helixtrans-58.4130.3177.1-2030.9000110.2E289P287-E289 PolarHBondContact O-N 2.85Å
288E33.1Very low31.8Very low174 Ų174152.6 Ų152.681%0.81381%0.807SS**  trans-68.5112.6166.3-73.3174.6161.800107.1V286 E290V286-E288 PolarHBondContact O-N 2.78Å; E288-E290 PolarHBondContact O-N 2.94Å
289E30.7Very low31.4Very low186 Ų186154.7 Ų154.787%0.86981%0.814SS**  trans-73.4107.9164.1-72.4-176.9168.900106.8P287 E291P287-E289 PolarHBondContact O-N 2.85Å; E289-E291 PolarHBondContact O-N 3.33Å
290E27.8Very low31.1Very low184 Ų184155.7 Ų155.786%0.8681%0.813SS**  trans-62.6115.1168.9-72.2176.4161.700108.6E288E288-E290 PolarHBondContact O-N 2.94Å
291E29.4Very low30.7Very low181 Ų181153.2 Ų153.285%0.84681%0.811SS**PPolyproline II helixtrans-65.9129164.8-68.6-173.6164.100108.5E289 E293E289-E291 PolarHBondContact O-N 3.33Å; E291-E293 PolarHBondContact O-N 2.97Å
292P29.4Very low30.3Very low120 Ų120158.4 Ų158.478%0.77983%0.826SS**PPolyproline II helixtrans-69.6128.2178.925.1-30.5000111V294P292-V294 PolarHBondContact O-N 3.5Å
293E27Very low30.1Very low193 Ų193155.5 Ų155.590%0.90282%0.821SS**PPolyproline II helixtrans-51.9122.5170.1-67.5-179.6150.100110.4E291 D295E291-E293 PolarHBondContact O-N 2.97Å; E293-D295 PolarHBondContact O-N 2.87Å
294V30Very low29.9Very low141 Ų141155.9 Ų155.986%0.85582%0.823SS**  trans-82101.3168.6179.40000107.2P292 A296P292-V294 PolarHBondContact O-N 3.5Å; V294-A296 PolarHBondContact O-N 3.23Å
295D26.7Very low29.8Very low140 Ų140158.3 Ų158.375%0.74982%0.822SS**  trans-62.4119.1172.9-127.1-15.6000109.6E293 Q297E293-D295 PolarHBondContact O-N 2.87Å; D295-Q297 PolarHBondContact O-N 2.84Å
296A29Very low29.7Very low97 Ų97158.4 Ų158.480%0.80282%0.815SS**  trans-78.497.2172.300000108.5V294V294-A296 PolarHBondContact O-N 3.23Å
297Q28.4Very low29.5Very low180 Ų180166 Ų16684%0.84184%0.838SS**  trans-93.8136.1167.5-86.6-175.8-20.200111.5D295D295-Q297 PolarHBondContact O-N 2.84Å
298E27.3Very low29.5Very low186 Ų186168.7 Ų168.787%0.86984%0.844SS**  trans-60.7127.6-172.5-64.1159.1139.500112.7E300E298-E300 PolarHBondContact O-N 3.26Å
299E27.5Very low29.3Very low199 Ų199168.4 Ų168.493%0.9385%0.845SS**  trans-83.3100.8158.3-93.2-175.6153.700108.5T301E299-T301 PolarHBondContact O-N 3.15Å
300E28.6Very low29.2Very low179 Ų179167.4 Ų167.484%0.83684%0.844SS**  trans-66.4119.7163.2-81.3-173.914300110.4E298 E302E298-E300 PolarHBondContact O-N 3.26Å; E300-E302 PolarHBondContact O-N 2.79Å
301T27.8Very low29.3Very low135 Ų135166.5 Ų166.583%0.82884%0.843SS**  trans-66.7110.3163.431.50000111.6E299E299-T301 PolarHBondContact O-N 3.15Å
302E29.7Very low29.3Very low193 Ų193165.6 Ų165.690%0.90284%0.843SS**  trans-104.5104.8157.5-82.1-163.2147.400110.9E300E300-E302 PolarHBondContact O-N 2.79Å
303T28.6Very low29.3Very low123 Ų123168.6 Ų168.676%0.75585%0.847SS**  trans-91.5142.8162.137.70000111.4
304K31Very low29.4Very low192 Ų192166.9 Ų166.984%0.83584%0.843SS**  trans120.2139.3156.3-72.6171.5179.6173.40111.8
305K30.3Very low29.4Very low162 Ų162168.8 Ų168.870%0.70484%0.842SS**  cis-175.1154.1-1.6-128.1178160.8-116.10106
306D34Very low29.6Very low122 Ų122171.3 Ų171.365%0.65285%0.85SS**  trans50.8104.6143.8-56.4-26.7000120
307K33.2Very low29.7Very low287 Ų287178 Ų178100%1.24886%0.855SS**  -172.60110.2-119.8178.4177.8177.50112.6

Retrieved 307 of 307 residues in 652.2 ms (Link to these results)

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