A0A087YFJ8_POEFO Loading...

Immunoglobulin-like domain containing receptor 1a

AlphaFold DB , UniProt , Accession A0A087YFJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 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
1M55.6Low69.4Low212 Ų212129.9 Ų129.9100%1.04464%0.635SS**  0-450-67.1-166.1-171.500114.1V3 Y4M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.42Å; M1-Y4 PolarHBondContact O-N 3.12Å; M1-Y4 VanDerWaalsContact O-N 3.15Å
2G58.6Low70.7Confident55 Ų55127.8 Ų127.857%0.56763%0.628SS**Hα-helixtrans-53.6-31.8-17000000117.9Y4 F5 T6G2-Y4 PolarHBondContact O-N 3.03Å; G2-F5 PolarHBondContact O-N 3.46Å; G2-T6 PolarHBondContact O-N 3.15Å; G2-T6 PolarHBondContact O-OG1 3.47Å
3V59.8Low71.8Confident110 Ų110123 Ų12367%0.66761%0.61SS**Hα-helixtrans-67.4-33.6-179.3-174.50000112.8M1 T6 T7M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.42Å; V3-T6 PolarHBondContact O-OG1 3.3Å; V3-T7 WeakPolarHBondContact O-CG2 3.46Å; V3-T7 PolarHBondContact O-N 3.5Å; V3-T7 PolarHBondContact O-OG1 2.96Å; V3-T7 VanDerWaalsContact O-OG1 3.06Å
4Y58.8Low72.5Confident190 Ų190117.3 Ų117.375%0.74559%0.591SS**Hα-helixtrans-72.7-30.8176.1-68.9-77000112.1M1 G2 T7 M8M1-Y4 PolarHBondContact O-N 3.12Å; M1-Y4 VanDerWaalsContact O-N 3.15Å; G2-Y4 PolarHBondContact O-N 3.03Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.28Å; Y4-T7 PolarHBondContact O-OG1 3.08Å; Y4-T7 VanDerWaalsContact O-OG1 3.08Å; Y4-M8 VanDerWaalsContact O-CB 3.28Å; Y4-M8 WeakPolarHBondContact O-CB 3.31Å; Y4-M8 PolarHBondContact O-N 3.23Å
5F63.1Low73.2Confident142 Ų142115.3 Ų115.362%0.62359%0.587SS**Hα-helixtrans-72-40.1179.5-155-93.8000111.6G2 W9G2-F5 PolarHBondContact O-N 3.46Å; F5-W9 HydrophobicContact CE1-CE3 4.41Å; F5-W9 VanDerWaalsContact O-CB 3.31Å; F5-W9 WeakPolarHBondContact O-CB 3.29Å; F5-W9 PolarHBondContact O-N 3.28Å
6T69.9Low73.6Confident79 Ų79116.8 Ų116.849%0.48559%0.589SS.*Hα-helixtrans-72.3-33.317854.70000113.1G2 V3 R10G2-T6 PolarHBondContact O-N 3.15Å; G2-T6 PolarHBondContact O-OG1 3.47Å; V3-T6 PolarHBondContact O-OG1 3.3Å; T6-R10 WeakPolarHBondContact O-CB 3.34Å; T6-R10 VanDerWaalsContact O-CG 3.25Å; T6-R10 WeakPolarHBondContact O-CG 3.5Å; T6-R10 PolarHBondContact O-N 3.09Å; T6-R10 VanDerWaalsContact O-N 3.13Å
7T73.9Confident73.6Confident65 Ų65115.4 Ų115.440%0.39958%0.583SS.*Hα-helixtrans-70.9-44.1172.550.40000111.7V3 Y4 W9 R10 I11V3-T7 WeakPolarHBondContact O-CG2 3.46Å; V3-T7 PolarHBondContact O-N 3.5Å; V3-T7 PolarHBondContact O-OG1 2.96Å; V3-T7 VanDerWaalsContact O-OG1 3.06Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.28Å; Y4-T7 PolarHBondContact O-OG1 3.08Å; Y4-T7 VanDerWaalsContact O-OG1 3.08Å; T7-W9 PolarHBondContact O-N 3.07Å; T7-R10 PolarHBondContact O-N 2.94Å; T7-I11 WeakPolarHBondContact O-CG1 3.37Å; T7-I11 PolarHBondContact O-N 3.32Å
8M75.7Confident73.5Confident114 Ų114115.3 Ų115.356%0.56258%0.583SS**Hα-helixtrans-64.9-38.9177.8-157.9176.589.900112.3Y4 I11 L12Y4-M8 VanDerWaalsContact O-CB 3.28Å; Y4-M8 WeakPolarHBondContact O-CB 3.31Å; Y4-M8 PolarHBondContact O-N 3.23Å; M8-I11 PolarHBondContact O-N 3.27Å; M8-L12 PolarHBondContact O-N 3.45Å
9W81.5Confident73.1Confident169 Ų169112.3 Ų112.364%0.6457%0.574SS**Hα-helixtrans-62.1-43.3172.3-173-76.8000112.2F5 T7 I11 L12 V13F5-W9 HydrophobicContact CE1-CE3 4.41Å; F5-W9 VanDerWaalsContact O-CB 3.31Å; F5-W9 WeakPolarHBondContact O-CB 3.29Å; F5-W9 PolarHBondContact O-N 3.28Å; T7-W9 PolarHBondContact O-N 3.07Å; W9-I11 VanDerWaalsContact C-N 3.32Å; W9-I11 PolarHBondContact O-N 2.8Å; W9-L12 PolarHBondContact O-N 3.34Å; W9-V13 WeakPolarHBondContact O-CG2 3.32Å; W9-V13 PolarHBondContact O-N 3.03Å
10R82.3Confident72.6Confident186 Ų186112.1 Ų112.170%0.70257%0.574SS**Hα-helixtrans-62.8-38.1175.9-77.2172.2177-167.4-1.1112.4T6 T7 A14T6-R10 WeakPolarHBondContact O-CB 3.34Å; T6-R10 VanDerWaalsContact O-CG 3.25Å; T6-R10 WeakPolarHBondContact O-CG 3.5Å; T6-R10 PolarHBondContact O-N 3.09Å; T6-R10 VanDerWaalsContact O-N 3.13Å; T7-R10 PolarHBondContact O-N 2.94Å; R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.22Å
11I84.5Confident72.1Confident107 Ų107112 Ų11255%0.54957%0.574SS.*Hα-helixtrans-66.4-45.2175.2-66.8162.8000110.3T7 M8 W9 V13 A14 V15T7-I11 WeakPolarHBondContact O-CG1 3.37Å; T7-I11 PolarHBondContact O-N 3.32Å; M8-I11 PolarHBondContact O-N 3.27Å; W9-I11 VanDerWaalsContact C-N 3.32Å; W9-I11 PolarHBondContact O-N 2.8Å; I11-V13 PolarHBondContact O-N 3Å; I11-A14 PolarHBondContact O-N 3.47Å; I11-V15 HydrophobicContact CG2-CG2 4.34Å; I11-V15 WeakPolarHBondContact O-CB 3.47Å; I11-V15 VanDerWaalsContact O-CG2 3.32Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 2.96Å
12L84.2Confident72.2Confident105 Ų105110.9 Ų110.955%0.5556%0.563SS.*Hα-helixtrans-61-44176.1-77.3166.5000112.3M8 W9 V15 F16M8-L12 PolarHBondContact O-N 3.45Å; W9-L12 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 3.06Å; L12-F16 VanDerWaalsContact O-CB 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.36Å; L12-F16 PolarHBondContact O-N 3.28Å
13V85Confident72.1Confident65 Ų65116.1 Ų116.139%0.39457%0.573SS.*Hα-helixtrans-64.7-40.2175171.70000111.6W9 I11 F16 L17W9-V13 WeakPolarHBondContact O-CG2 3.32Å; W9-V13 PolarHBondContact O-N 3.03Å; I11-V13 PolarHBondContact O-N 3Å; V13-F16 PolarHBondContact O-N 3.14Å; V13-L17 HydrophobicContact CG1-CD1 3.9Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.32Å; V13-L17 PolarHBondContact O-N 3.48Å
14A81.4Confident72Confident43 Ų43115.4 Ų115.436%0.35557%0.572SS.*Hα-helixtrans-65.9-42176.200000112.2R10 I11 L17 L18R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.22Å; I11-A14 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.16Å; A14-L18 VanDerWaalsContact O-CB 3.32Å; A14-L18 WeakPolarHBondContact O-CB 3.29Å; A14-L18 WeakPolarHBondContact O-CD1 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 3.2Å
15V83.4Confident72.4Confident87 Ų87107.4 Ų107.453%0.52755%0.546SS..Hα-helixtrans-64.2-41.3174.3170.60000110.8I11 L12 L18 S19I11-V15 HydrophobicContact CG2-CG2 4.34Å; I11-V15 WeakPolarHBondContact O-CB 3.47Å; I11-V15 VanDerWaalsContact O-CG2 3.32Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 2.96Å; L12-V15 PolarHBondContact O-N 3.06Å; V15-L18 PolarHBondContact O-N 3.23Å; V15-S19 PolarHBondContact O-N 3.14Å; V15-S19 PolarHBondContact O-OG 3.38Å; V15-S19 VanDerWaalsContact O-OG 3.14Å
16F79.3Confident73.3Confident139 Ų139104.2 Ų104.261%0.6154%0.54SS*.Hα-helixtrans-64.3-42.5176.8-163.6-101.2000112.1L12 V13 S19 L20L12-F16 VanDerWaalsContact O-CB 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.36Å; L12-F16 PolarHBondContact O-N 3.28Å; V13-F16 PolarHBondContact O-N 3.14Å; F16-S19 WeakPolarHBondContact CA-OG 3.37Å; F16-S19 PolarHBondContact O-N 2.76Å; F16-S19 PolarHBondContact O-OG 3.32Å; F16-L20 HydrophobicContact CD1-CD1 3.77Å; F16-L20 HydrophobicContact CE1-CD1 3.78Å; F16-L20 HydrophobicContact CE1-CG 4.47Å; F16-L20 VanDerWaalsContact O-CG 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.25Å; F16-L20 PolarHBondContact O-N 3.28Å
17L74.1Confident74.3Confident93 Ų93100.6 Ų100.649%0.48752%0.518SS..Hα-helixtrans-65.1-40.1172.8-72.7167.9000112.1V13 A14 L20 I21V13-L17 HydrophobicContact CG1-CD1 3.9Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.32Å; V13-L17 PolarHBondContact O-N 3.48Å; A14-L17 PolarHBondContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 2.85Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.43Å
18L71.1Confident75.2Confident114 Ų114102.6 Ų102.660%0.59752%0.522SS*.Hα-helixtrans-68.1-31.8175.8-74.8164.8000112.7A14 V15 K22A14-L18 VanDerWaalsContact O-CB 3.32Å; A14-L18 WeakPolarHBondContact O-CB 3.29Å; A14-L18 WeakPolarHBondContact O-CD1 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.23Å; L18-K22 PolarHBondContact O-N 3.02Å
19S66.3Low76Confident59 Ų5997.2 Ų97.241%0.41350%0.496SS..Hα-helixtrans-69.5-37.1169.748.50000112.4V15 F16 K22V15-S19 PolarHBondContact O-N 3.14Å; V15-S19 PolarHBondContact O-OG 3.38Å; V15-S19 VanDerWaalsContact O-OG 3.14Å; F16-S19 WeakPolarHBondContact CA-OG 3.37Å; F16-S19 PolarHBondContact O-N 2.76Å; F16-S19 PolarHBondContact O-OG 3.32Å; S19-K22 VanDerWaalsContact O-CB 3.27Å; S19-K22 WeakPolarHBondContact O-CB 3.48Å; S19-K22 PolarHBondContact O-N 2.84Å
20L63.8Low76.6Confident107 Ų10792.1 Ų92.156%0.5648%0.484SS*.Hα-helixtrans-67.9-33.4175.7-71.7165.8000112.7F16 L17 K22F16-L20 HydrophobicContact CD1-CD1 3.77Å; F16-L20 HydrophobicContact CE1-CD1 3.78Å; F16-L20 HydrophobicContact CE1-CG 4.47Å; F16-L20 VanDerWaalsContact O-CG 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.25Å; F16-L20 PolarHBondContact O-N 3.28Å; L17-L20 PolarHBondContact O-N 2.85Å; L20-K22 PolarHBondContact O-N 3.38Å
21I62.3Low77.2Confident112 Ų11284.9 Ų84.957%0.57446%0.46SS*.Hα-helixtrans-71.7-22.3174.8-66.5160.6000111.5L17 E23 S24L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.43Å; I21-E23 PolarHBondContact O-N 2.87Å; I21-E23 VanDerWaalsContact O-N 3.16Å; I21-S24 PolarHBondContact O-N 2.89Å
22K57.4Low77.5Confident187 Ų18783.6 Ų83.681%0.81346%0.461SS*.THydrogen-bonded Turntrans-69-11.1-178-136.2176.5-176.4-176.50114.1L18 S19 L20L18-K22 PolarHBondContact O-N 3.02Å; S19-K22 VanDerWaalsContact O-CB 3.27Å; S19-K22 WeakPolarHBondContact O-CB 3.48Å; S19-K22 PolarHBondContact O-N 2.84Å; L20-K22 PolarHBondContact O-N 3.38Å
23E55.3Low78Confident166 Ų16682.2 Ų82.278%0.77645%0.451SS*.THydrogen-bonded Turntrans-116.124.6180-64.4-174.3174.100113.2I21 A25I21-E23 PolarHBondContact O-N 2.87Å; I21-E23 VanDerWaalsContact O-N 3.16Å; E23-A25 PolarHBondContact O-N 2.83Å
24S58.3Low78.3Confident94 Ų9483.8 Ų83.866%0.65746%0.462SS*.  trans-75.261.9163.871.50000110.9I21 C26I21-S24 PolarHBondContact O-N 2.89Å; S24-C26 PolarHBondContact O-N 3.42Å
25A68.6Low78.9Confident23 Ų2386.8 Ų86.819%0.1947%0.468CS..  trans-80.694.2179.500000109.7E23 D155 T157E23-A25 PolarHBondContact O-N 2.83Å; A25-D155 WeakPolarHBondContact CB-OD1 3.4Å; A25-T157 PolarHBondContact O-OG1 3.25Å
26C81.4Confident79.4Confident74 Ų7487.4 Ų87.450%0.546%0.461SS..EExtended strand (participates in β ladder)trans-116.3130.3179.565.60000113.3S24 T157S24-C26 PolarHBondContact O-N 3.42Å; C26-T157 CarbonylContact C-O 3.46Å; C26-T157 WeakPolarHBondContact CA-O 3.43Å
27I90.9Very high80.1Confident4 Ų483.1 Ų83.12%0.02145%0.448CS..EExtended strand (participates in β ladder)trans-88.5137.2169.3-167.7168.4000109.9V150 A152 D155 T157 G158 D159I27-V150 HydrophobicContact CD1-CB 3.87Å; I27-V150 HydrophobicContact CD1-CG1 3.81Å; I27-V150 WeakPolarHBondContact CD1-O 3.33Å; I27-A152 HydrophobicContact CD1-CB 3.93Å; I27-D155 HydrophobicContact CB-CB 4.22Å; I27-D155 WeakPolarHBondContact CG2-O 3.39Å; I27-T157 PolarHBondContact N-O 3.47Å; I27-G158 CarbonylContact O-C 3.54Å; I27-G158 WeakPolarHBondContact O-CA 3.28Å; I27-D159 PolarHBondContact O-N 2.89Å
28Q92Very high81.1Confident106 Ų10679.6 Ų79.650%0.49543%0.43SS..EExtended strand (participates in β ladder)trans-136.9116.4173.5-177.5179.8-2.500110T30 Y50 S51Q28-T30 HydrophobicContact CG-CG2 4.15Å; Q28-Y50 WeakPolarHBondContact O-CA 3.45Å; Q28-S51 PolarHBondContact N-O 2.96Å; Q28-S51 PolarHBondContact O-N 3.39Å; Q28-S51 PolarHBondContact O-OG 2.69Å
29V93.8Very high82.1Confident2 Ų276 Ų761%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-91.8135.2168.5178.70000110.3C48 C148 V150 D159 S160 K162V29-C48 VanDerWaalsContact CG1-SG 3.53Å; V29-C148 HydrophobicContact CG1-CB 4.45Å; V29-V150 HydrophobicContact CG2-CB 3.89Å; V29-V150 HydrophobicContact CG2-CG2 3.64Å; V29-D159 PolarHBondContact N-O 3.02Å; V29-S160 WeakPolarHBondContact CG2-O 3.24Å; V29-K162 HydrophobicContact CB-CG 3.9Å; V29-K162 HydrophobicContact CG1-CB 3.89Å; V29-K162 HydrophobicContact CG1-CG 3.74Å; V29-K162 WeakPolarHBondContact O-CE 3.22Å; V29-K162 WeakPolarHBondContact O-CG 3.19Å
30T93.2Very high83.3Confident62 Ų6274.6 Ų74.638%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-125.1138.2179.557.20000111.1Q28 D49Q28-T30 HydrophobicContact CG-CG2 4.15Å; T30-D49 PolarHBondContact N-O 2.54Å; T30-D49 PolarHBondContact O-N 2.8Å; T30-D49 VanDerWaalsContact O-O 3.13Å; T30-D49 WeakPolarHBondContact OG1-CB 3.46Å; T30-D49 PolarHBondContact OG1-O 3.13Å
31V95.3Very high84.6Confident33 Ų3376.6 Ų76.620%0.241%0.41CS..  trans-129.1126.6-176.8162.90000107.5E33 T34 K162 V164V31-E33 VanDerWaalsContact CG1-O 3.31Å; V31-E33 WeakPolarHBondContact CG1-O 3.45Å; V31-T34 HydrophobicContact CG1-CG2 4.32Å; V31-K162 HydrophobicContact CB-CB 4.39Å; V31-K162 HydrophobicContact CG2-CB 3.54Å; V31-K162 HydrophobicContact CG2-CG 4.34Å; V31-V164 HydrophobicContact CG1-CG2 3.63Å; V31-V164 HydrophobicContact CG2-CG2 4.13Å
32S91.1Very high86.1Confident81 Ų8172.8 Ų72.857%0.56640%0.395SS*.SBendtrans-79.4-31.7-178.266.70000113.3R47S32-R47 WeakPolarHBondContact OG-CB 3.45Å
33E93.6Very high87.8Confident75 Ų7567.3 Ų67.335%0.3538%0.38SS..  trans-133.5108.9-178.3-67.3-178.9-159.400109V31 Q35 R36V31-E33 VanDerWaalsContact CG1-O 3.31Å; V31-E33 WeakPolarHBondContact CG1-O 3.45Å; E33-Q35 PolarHBondContact O-N 3.31Å; E33-R36 VanDerWaalsContact CD-NH1 3.26Å; E33-R36 IonicContact OE1-NH1 3.23Å; E33-R36 PolarHBondContact OE1-NH1 3.48Å; E33-R36 WeakPolarHBondContact OE2-CD 3.48Å; E33-R36 IonicContact OE2-CZ 2.71Å; E33-R36 IonicContact OE2-NE 3.08Å; E33-R36 IonicContact OE2-NH1 2.69Å; E33-R36 PolarHBondContact OE2-NH1 2.9Å
34T92.2Very high89.8Confident99 Ų9959.7 Ų59.761%0.60734%0.344SS*.SBendtrans-77.1-11178.252.40000113.3V31 K165V31-T34 HydrophobicContact CG1-CG2 4.32Å; T34-K165 PolarHBondContact O-N 3.39Å
35Q93.6Very high91.5Very high105 Ų10557.7 Ų57.749%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-144128.8177179.9176.5-24.600110.3E33 K165 I167E33-Q35 PolarHBondContact O-N 3.31Å; Q35-K165 CarbonylContact C-O 3.51Å; Q35-K165 WeakPolarHBondContact CA-O 3.25Å; Q35-K165 HydrophobicContact CB-CB 4.37Å; Q35-K165 HydrophobicContact CG-CB 4.3Å; Q35-I167 HydrophobicContact CG-CD1 4.21Å; Q35-I167 VanDerWaalsContact NE2-CD1 3.34Å
36R94.7Very high92.9Very high101 Ų10156.7 Ų56.738%0.38132%0.32SS..EExtended strand (participates in β ladder)trans-129.4129.3177.3-167.675.6-172.8-174.6-0.8109E33 V44 L46 K165 L166 I167E33-R36 VanDerWaalsContact CD-NH1 3.26Å; E33-R36 IonicContact OE1-NH1 3.23Å; E33-R36 PolarHBondContact OE1-NH1 3.48Å; E33-R36 WeakPolarHBondContact OE2-CD 3.48Å; E33-R36 IonicContact OE2-CZ 2.71Å; E33-R36 IonicContact OE2-NE 3.08Å; E33-R36 IonicContact OE2-NH1 2.69Å; E33-R36 PolarHBondContact OE2-NH1 2.9Å; R36-V44 HydrophobicContact CG-CG2 3.64Å; R36-L46 HydrophobicContact CB-CD2 4.07Å; R36-L46 HydrophobicContact CG-CD2 4.33Å; R36-K165 PolarHBondContact N-O 3.42Å; R36-L166 HydrophobicContact CB-CD1 4.42Å; R36-L166 WeakPolarHBondContact O-CA 3.34Å; R36-I167 PolarHBondContact O-N 3.45Å
37S93.3Very high93.6Very high48 Ų4860 Ų6034%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-109143.4174.7-58.70000111.1I167 Y169S37-I167 CarbonylContact C-O 3.58Å; S37-I167 WeakPolarHBondContact CA-O 3.27Å; S37-Y169 VanDerWaalsContact CB-CE2 3.49Å; S37-Y169 PolarHBondContact OG-OH 3.13Å
38T94.3Very high93.8Very high19 Ų1959.9 Ų59.912%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-149.9167-178.2-163.90000113.3A42 V138 L166 I167 V168 Y169T38-A42 WeakPolarHBondContact OG1-CB 3.27Å; T38-V138 HydrophobicContact CG2-CB 4.36Å; T38-V138 HydrophobicContact CG2-CG1 3.84Å; T38-V138 HydrophobicContact CG2-CG2 4.16Å; T38-L166 HydrophobicContact CG2-CD1 3.79Å; T38-I167 PolarHBondContact N-O 3.31Å; T38-V168 HydrophobicContact CG2-CG2 4.13Å; T38-Y169 PolarHBondContact O-N 3.23Å
39A92.4Very high93.9Very high39 Ų3958.3 Ų58.332%0.32232%0.316SS..  trans-93.5161.5173.800000111.2A42 T173A39-A42 HydrophobicContact CB-CB 4.42Å; A39-A42 WeakPolarHBondContact O-CB 3.43Å; A39-A42 PolarHBondContact O-N 2.86Å; A39-T173 HydrophobicContact CB-CG2 3.63Å
40L92.3Very high93.9Very high30 Ų3060 Ų6016%0.15732%0.323CS..THydrogen-bonded Turntrans-58.6144.9166.6-66.2177.6000111A42 W140 V168 H170 T173L40-A42 PolarHBondContact O-N 3.47Å; L40-A42 VanDerWaalsContact O-N 3.07Å; L40-W140 HydrophobicContact CD2-CB 3.87Å; L40-V168 HydrophobicContact CD2-CG1 3.67Å; L40-V168 HydrophobicContact CG-CG1 4.39Å; L40-H170 HydrophobicContact CD1-CB 4.02Å; L40-H170 HydrophobicContact CD2-CB 4.06Å; L40-H170 HydrophobicContact CG-CB 4.16Å; L40-T173 WeakPolarHBondContact CD1-OG1 3.37Å; L40-T173 WeakPolarHBondContact CG-OG1 3.36Å
41F91.3Very high93.8Very high149 Ų14960 Ų6065%0.65433%0.325SS*.THydrogen-bonded Turntrans61.83.8179.9-44.4-71000115.9V138F41-V138 WeakPolarHBondContact CA-O 3.34Å; F41-V138 PolarHBondContact N-O 2.76Å
42A92.6Very high93.5Very high32 Ų3260.3 Ų60.326%0.26433%0.327SS..  trans-75.2157.6169.900000111.2T38 A39 L40 V138T38-A42 WeakPolarHBondContact OG1-CB 3.27Å; A39-A42 HydrophobicContact CB-CB 4.42Å; A39-A42 WeakPolarHBondContact O-CB 3.43Å; A39-A42 PolarHBondContact O-N 2.86Å; L40-A42 PolarHBondContact O-N 3.47Å; L40-A42 VanDerWaalsContact O-N 3.07Å; A42-V138 WeakPolarHBondContact O-CB 3.45Å; A42-V138 VanDerWaalsContact O-CG2 3.24Å; A42-V138 WeakPolarHBondContact O-CG2 3.27Å; A42-V138 PolarHBondContact O-N 2.81Å
43S94.5Very high93.3Very high71 Ų7160.5 Ų60.550%0.49733%0.329SS..  trans-86.7141.6166.4177.40000110.2I135 N136S43-I135 CarbonylContact C-O 3.52Å; S43-I135 WeakPolarHBondContact CA-O 3.47Å; S43-N136 WeakPolarHBondContact CA-O 3.41Å
44V95.6Very high92.9Very high6 Ų657.6 Ų57.64%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-138.1144.7177.270.50000111.2R36 L46 V134 I135 V138 L166R36-V44 HydrophobicContact CG-CG2 3.64Å; V44-L46 HydrophobicContact CG2-CD2 4.1Å; V44-V134 WeakPolarHBondContact O-CA 3.24Å; V44-I135 HydrophobicContact CG1-CB 3.99Å; V44-I135 HydrophobicContact CG1-CD1 4.37Å; V44-I135 PolarHBondContact N-O 2.63Å; V44-I135 PolarHBondContact O-N 2.87Å; V44-V138 HydrophobicContact CB-CG2 4.18Å; V44-V138 HydrophobicContact CG1-CG2 3.45Å; V44-V138 VanDerWaalsContact CG1-CG2 3.45Å; V44-L166 HydrophobicContact CG1-CD1 4.25Å; V44-L166 HydrophobicContact CG1-CD2 4.13Å; V44-L166 HydrophobicContact CG2-CD1 4.06Å
45T95.9Very high92.8Very high53 Ų5357.8 Ų57.833%0.32532%0.315SS..EExtended strand (participates in β ladder)trans-118.7120.7173.5-550000109R47 D132 L133 V134T45-R47 HydrophobicContact CG2-CG 4.27Å; T45-D132 HydrophobicContact CG2-CB 4.21Å; T45-L133 CarbonylContact C-O 3.59Å; T45-L133 VanDerWaalsContact CA-O 3.28Å; T45-L133 WeakPolarHBondContact CA-O 3.42Å; T45-V134 HydrophobicContact CG2-CG2 3.84Å
46L96.6Very high92.5Very high2 Ų256.9 Ų56.91%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-95.7117.4169.8-48.4-172.2000107.5R36 V44 W63 L133 Y146 V164 L166R36-L46 HydrophobicContact CB-CD2 4.07Å; R36-L46 HydrophobicContact CG-CD2 4.33Å; V44-L46 HydrophobicContact CG2-CD2 4.1Å; L46-W63 HydrophobicContact CB-CH2 3.75Å; L46-W63 HydrophobicContact CB-CZ2 4.32Å; L46-W63 HydrophobicContact CB-CZ3 4.26Å; L46-W63 HydrophobicContact CD1-CZ3 4.28Å; L46-L133 HydrophobicContact CB-CB 4.28Å; L46-L133 HydrophobicContact CD1-CD2 4.15Å; L46-L133 PolarHBondContact N-O 3.38Å; L46-L133 PolarHBondContact O-N 3.45Å; L46-Y146 HydrophobicContact CD1-CD1 3.9Å; L46-Y146 HydrophobicContact CD1-CD2 3.82Å; L46-Y146 HydrophobicContact CD1-CG 3.48Å; L46-Y146 VanDerWaalsContact CD1-CG 3.48Å; L46-V164 HydrophobicContact CB-CG1 4.2Å; L46-V164 HydrophobicContact CD1-CB 4.37Å; L46-V164 HydrophobicContact CD1-CG1 4.1Å; L46-V164 HydrophobicContact CD2-CG1 3.92Å; L46-V164 HydrophobicContact CG-CG1 4.3Å; L46-L166 HydrophobicContact CD2-CD1 4.3Å
47R95.9Very high92.2Very high144 Ų14457.3 Ų57.354%0.54333%0.328SS..  trans-86.1130.2-173.1-75.1-177.4170.9169-2.5112S32 T45 D132S32-R47 WeakPolarHBondContact OG-CB 3.45Å; T45-R47 HydrophobicContact CG2-CG 4.27Å; R47-D132 WeakPolarHBondContact CA-OD1 3.49Å
48C95.8Very high92.1Very high1 Ų159.8 Ų59.81%0.00734%0.335CS..  trans-143.9124.1175.5-178.40000110V29 W63 A131 D132 C148V29-C48 VanDerWaalsContact CG1-SG 3.53Å; C48-W63 HydrophobicContact CB-CH2 4Å; C48-W63 HydrophobicContact CB-CZ2 3.44Å; C48-W63 VanDerWaalsContact CB-CZ2 3.44Å; C48-A131 HydrophobicContact CB-CB 4.18Å; C48-A131 WeakPolarHBondContact O-CB 3.02Å; C48-D132 PolarHBondContact N-OD1 2.89Å; C48-C148 HydrophobicContact CB-CB 3.7Å; C48-C148 WeakPolarHBondContact CB-SG 3.43Å; C48-C148 WeakPolarHBondContact SG-CB 3.3Å; C48-C148 CovalentContact SG-SG 2.03Å; C48-C148 PolarHBondContact SG-SG 2.85Å
49D94.7Very high92Very high72 Ų7258.9 Ų58.939%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-112.9157.1169.7-99-61.8000109.1T30 K130T30-D49 PolarHBondContact N-O 2.54Å; T30-D49 PolarHBondContact O-N 2.8Å; T30-D49 VanDerWaalsContact O-O 3.13Å; T30-D49 WeakPolarHBondContact OG1-CB 3.46Å; T30-D49 PolarHBondContact OG1-O 3.13Å; D49-K130 WeakPolarHBondContact OD1-CD 3.37Å; D49-K130 WeakPolarHBondContact OD1-CE 3.02Å; D49-K130 IonicContact OD1-NZ 3.1Å; D49-K130 PolarHBondContact OD1-NZ 2.81Å
50Y92.9Very high92.1Very high37 Ų3758.9 Ų58.915%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-142.9154.5171.866-90.3000111Q28 T52 V59 V61 K130 A131 V150Q28-Y50 WeakPolarHBondContact O-CA 3.45Å; Y50-T52 HydrophobicContact CD2-CG2 3.86Å; Y50-T52 HydrophobicContact CE2-CG2 3.83Å; Y50-V59 HydrophobicContact CE2-CG1 3.86Å; Y50-V61 HydrophobicContact CD1-CG2 4.3Å; Y50-V61 HydrophobicContact CE1-CG2 3.63Å; Y50-K130 HydrophobicContact CD1-CB 4.45Å; Y50-K130 HydrophobicContact CE1-CB 3.96Å; Y50-A131 HydrophobicContact CD1-CB 3.99Å; Y50-A131 HydrophobicContact CE1-CB 4.08Å; Y50-V150 HydrophobicContact CD1-CG1 4.35Å; Y50-V150 HydrophobicContact CD1-CG2 4.05Å; Y50-V150 HydrophobicContact CD2-CG1 4.01Å; Y50-V150 HydrophobicContact CE2-CG1 4.33Å; Y50-V150 HydrophobicContact CG-CG1 4.03Å; Y50-V150 HydrophobicContact CG-CG2 4.12Å
51S90.6Very high92.3Very high63 Ų6357.5 Ų57.544%0.44132%0.316SS..EExtended strand (participates in β ladder)trans-128136.8169.151.40000109.7Q28Q28-S51 PolarHBondContact N-O 2.96Å; Q28-S51 PolarHBondContact O-N 3.39Å; Q28-S51 PolarHBondContact O-OG 2.69Å
52T89.6Confident92.5Very high39 Ų3950.6 Ų50.624%0.23929%0.286CS..  trans-154.7146.8-175.51740000108.2Y50 A54 V59 D155Y50-T52 HydrophobicContact CD2-CG2 3.86Å; Y50-T52 HydrophobicContact CE2-CG2 3.83Å; T52-A54 WeakPolarHBondContact OG1-CB 3.37Å; T52-A54 PolarHBondContact OG1-N 2.75Å; T52-A54 VanDerWaalsContact OG1-N 3.13Å; T52-V59 HydrophobicContact CG2-CG2 4.03Å; T52-D155 VanDerWaalsContact CA-OD2 3.27Å; T52-D155 WeakPolarHBondContact CA-OD2 3.31Å; T52-D155 WeakPolarHBondContact CB-OD2 3.3Å; T52-D155 VanDerWaalsContact OG1-CG 3.31Å; T52-D155 PolarHBondContact OG1-OD2 3.29Å
53S86.6Confident92.7Very high85 Ų8549.1 Ų49.159%0.59427%0.274SS*.SBendtrans-81-13.5168.6310000113.7D155S53-D155 PolarHBondContact N-OD2 2.79Å; S53-D155 PolarHBondContact OG-OD1 2.94Å; S53-D155 PolarHBondContact OG-OD2 3.14Å
54A86.6Confident92.8Very high15 Ų1550 Ų5012%0.12427%0.266CS..SBendtrans-70.4165.2-179.200000113.7T52 A152 P153 D155T52-A54 WeakPolarHBondContact OG1-CB 3.37Å; T52-A54 PolarHBondContact OG1-N 2.75Å; T52-A54 VanDerWaalsContact OG1-N 3.13Å; A54-A152 HydrophobicContact CB-CB 3.93Å; A54-P153 WeakPolarHBondContact CB-O 3.43Å; A54-D155 PolarHBondContact N-OD2 3.01Å
55N88.6Confident92.8Very high103 Ų10350.4 Ų50.455%0.55127%0.267SS*.  trans-62.4120.7176.6-73-40.5000111.3N57 E58N55-N57 PolarHBondContact O-N 2.96Å; N55-E58 HydrophobicContact CB-CG 4.25Å; N55-E58 PolarHBondContact ND2-OE2 3.36Å; N55-E58 VanDerWaalsContact ND2-OE2 3.12Å; N55-E58 PolarHBondContact O-N 3.46Å
56P87.1Confident92.8Very high86 Ų8649.1 Ų49.156%0.55826%0.257SS*.THydrogen-bonded Turntrans-64.1-19.4-174.725.6-35.4000113.9E58 G110P56-E58 VanDerWaalsContact C-N 3.34Å; P56-G110 WeakPolarHBondContact O-CA 3.47Å
57N89.5Confident92.7Very high109 Ų10950.1 Ų50.158%0.58326%0.264SS*.THydrogen-bonded Turntrans-75-21.4176.9-68.3-20.2000113.5N55N55-N57 PolarHBondContact O-N 2.96Å
58E90.2Very high92.6Very high101 Ų10144.7 Ų44.747%0.47225%0.245SC..THydrogen-bonded Turntrans-103.2-14.7-174.1-57.6-178.4133.400112.6N55 P56 L60 P153N55-E58 HydrophobicContact CB-CG 4.25Å; N55-E58 PolarHBondContact ND2-OE2 3.36Å; N55-E58 VanDerWaalsContact ND2-OE2 3.12Å; N55-E58 PolarHBondContact O-N 3.46Å; P56-E58 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.24Å; E58-P153 HydrophobicContact CB-CG 3.65Å
59V93Very high92.4Very high0 Ų046.5 Ų46.50%026%0.257CS..  trans-60.4129.9176-179.90000111.2Y50 T52 V61 R109 G110 V150 D151 A152Y50-V59 HydrophobicContact CE2-CG1 3.86Å; T52-V59 HydrophobicContact CG2-CG2 4.03Å; V59-V61 HydrophobicContact CG1-CG2 4.46Å; V59-R109 CarbonylContact O-C 3.59Å; V59-R109 WeakPolarHBondContact O-CA 3.38Å; V59-G110 PolarHBondContact O-N 2.83Å; V59-V150 HydrophobicContact CG1-CG1 3.36Å; V59-D151 WeakPolarHBondContact CA-O 3.41Å; V59-A152 HydrophobicContact CG2-CB 4.07Å
60L94.4Very high92.2Very high38 Ų3845.3 Ų45.320%0.19925%0.248CC..EExtended strand (participates in β ladder)trans-106.2107.5174.917564.4000110.3E58 Q107 R109 D151E58-L60 PolarHBondContact O-N 3.24Å; L60-Q107 HydrophobicContact CD1-CB 4.35Å; L60-R109 HydrophobicContact CD1-CB 4.29Å; L60-D151 HydrophobicContact CB-CB 4.33Å; L60-D151 PolarHBondContact N-O 2.92Å; L60-D151 PolarHBondContact O-N 3.11Å
61V95.6Very high92Very high2 Ų245.7 Ų45.71%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-86.5127.2169.1-178.10000108.8Y50 V59 Q107 K108 M127 A131 V150Y50-V61 HydrophobicContact CD1-CG2 4.3Å; Y50-V61 HydrophobicContact CE1-CG2 3.63Å; V59-V61 HydrophobicContact CG1-CG2 4.46Å; V61-Q107 CarbonylContact O-C 3.51Å; V61-Q107 VanDerWaalsContact O-CA 3.3Å; V61-Q107 WeakPolarHBondContact O-CA 3.38Å; V61-K108 PolarHBondContact N-O 2.7Å; V61-K108 PolarHBondContact O-N 2.81Å; V61-M127 HydrophobicContact CB-CE 4.31Å; V61-M127 HydrophobicContact CB-SD 4.1Å; V61-M127 HydrophobicContact CG1-CE 3.94Å; V61-M127 HydrophobicContact CG1-SD 3.79Å; V61-A131 HydrophobicContact CG1-CB 3.59Å; V61-A131 HydrophobicContact CG2-CB 4.17Å; V61-V150 HydrophobicContact CG2-CG1 4.4Å; V61-V150 HydrophobicContact CG2-CG2 4.32Å
62T96.5Very high91.9Very high4 Ų443.4 Ų43.43%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-128.7123.5176.6-63.90000110.2R64 V104 Q107 A149T62-R64 HydrophobicContact CG2-CG 3.76Å; T62-V104 HydrophobicContact CG2-CG1 4.2Å; T62-Q107 HydrophobicContact CG2-CG 3.87Å; T62-Q107 PolarHBondContact OG1-NE2 2.91Å; T62-Q107 VanDerWaalsContact OG1-NE2 3.09Å; T62-A149 PolarHBondContact N-O 3.36Å; T62-A149 WeakPolarHBondContact O-CB 3.23Å; T62-A149 PolarHBondContact O-N 2.85Å
63W97.3Very high91.8Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-92.4124.5165.3-79.792.4000110.7L46 C48 V105 I106 A131 L133 F147 C148 V164L46-W63 HydrophobicContact CB-CH2 3.75Å; L46-W63 HydrophobicContact CB-CZ2 4.32Å; L46-W63 HydrophobicContact CB-CZ3 4.26Å; L46-W63 HydrophobicContact CD1-CZ3 4.28Å; C48-W63 HydrophobicContact CB-CH2 4Å; C48-W63 HydrophobicContact CB-CZ2 3.44Å; C48-W63 VanDerWaalsContact CB-CZ2 3.44Å; W63-V105 HydrophobicContact CB-CB 4.26Å; W63-V105 PolarHBondContact O-N 2.82Å; W63-I106 HydrophobicContact CB-CG2 3.96Å; W63-I106 HydrophobicContact CG-CG2 4.32Å; W63-I106 PolarHBondContact N-O 3.44Å; W63-A131 PolarHBondContact NE1-O 2.81Å; W63-L133 HydrophobicContact CB-CD2 4.3Å; W63-L133 HydrophobicContact CD2-CB 3.87Å; W63-L133 HydrophobicContact CD2-CD2 3.97Å; W63-L133 HydrophobicContact CD2-CG 4.45Å; W63-L133 HydrophobicContact CE3-CD2 4.12Å; W63-L133 HydrophobicContact CG-CB 4.12Å; W63-L133 HydrophobicContact CG-CD1 4.34Å; W63-L133 HydrophobicContact CG-CD2 4.09Å; W63-L133 HydrophobicContact CG-CG 4.43Å; W63-L133 HydrophobicContact CH2-CB 4.46Å; W63-L133 HydrophobicContact CZ2-CB 3.83Å; W63-F147 WeakPolarHBondContact CA-O 3.43Å; W63-C148 HydrophobicContact CD2-CB 4.14Å; W63-C148 HydrophobicContact CE3-CB 4.06Å; W63-C148 HydrophobicContact CH2-CB 3.72Å; W63-C148 HydrophobicContact CZ2-CB 3.76Å; W63-C148 HydrophobicContact CZ3-CB 3.84Å; W63-V164 HydrophobicContact CH2-CG2 4.07Å; W63-V164 HydrophobicContact CZ3-CG2 4.21Å
64R96Very high91.7Very high90 Ų9045.7 Ų45.734%0.3424%0.241SC..EExtended strand (participates in β ladder)trans-112.6122176.4-53-177.5-179.7115.80.2109.7T62 R103 Y146 F147 D161T62-R64 HydrophobicContact CG2-CG 3.76Å; R64-R103 CarbonylContact C-O 3.57Å; R64-R103 WeakPolarHBondContact CA-O 3.29Å; R64-Y146 CarbonylContact O-C 3.53Å; R64-Y146 WeakPolarHBondContact O-CA 3.43Å; R64-F147 HydrophobicContact CB-CB 4.37Å; R64-F147 PolarHBondContact N-O 2.81Å; R64-F147 PolarHBondContact O-N 3.09Å; R64-D161 IonicContact NH1-OD2 3.03Å; R64-D161 PolarHBondContact NH1-OD2 2.91Å
65Y96.3Very high91.8Very high15 Ų1549 Ų496%0.05925%0.254CS..EExtended strand (participates in β ladder)trans-81.1137.1167.6166.5-90.5000109.3V102 R103 W141 N143 Y146Y65-V102 WeakPolarHBondContact O-CA 3.33Å; Y65-R103 HydrophobicContact CD1-CB 4.24Å; Y65-R103 HydrophobicContact CD1-CG 4.4Å; Y65-R103 PolarHBondContact N-O 2.92Å; Y65-R103 PolarHBondContact O-N 2.91Å; Y65-W141 PolarHBondContact OH-O 2.9Å; Y65-N143 PolarHBondContact OH-O 2.79Å; Y65-N143 VanDerWaalsContact OH-O 3.1Å; Y65-Y146 HydrophobicContact CD2-CD2 4.39Å; Y65-Y146 HydrophobicContact CD2-CE1 4.16Å; Y65-Y146 AromaticContact CD2-CE2 3.74Å; Y65-Y146 HydrophobicContact CD2-CE2 3.74Å; Y65-Y146 AromaticContact CD2-CZ 3.63Å; Y65-Y146 HydrophobicContact CE2-CE2 4.28Å
66K95.3Very high91.8Very high25 Ų2548.4 Ų48.411%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-130.8130168.9-54.1-161.1-169.8-174.40108.9D97 R100 T101 V102 V145 F147K66-D97 VanDerWaalsContact NZ-CG 3.3Å; K66-D97 IonicContact NZ-OD1 3.71Å; K66-D97 PolarHBondContact NZ-OD1 3.1Å; K66-D97 VanDerWaalsContact NZ-OD1 3.08Å; K66-D97 IonicContact NZ-OD2 3.37Å; K66-D97 PolarHBondContact NZ-OD2 2.8Å; K66-R100 VanDerWaalsContact CD-CZ 3.47Å; K66-T101 CarbonylContact C-O 3.57Å; K66-T101 VanDerWaalsContact CA-O 3.29Å; K66-T101 WeakPolarHBondContact CA-O 3.36Å; K66-V102 HydrophobicContact CB-CG2 4.5Å; K66-V102 HydrophobicContact CD-CG2 4.06Å; K66-V102 HydrophobicContact CG-CG1 4.19Å; K66-V102 HydrophobicContact CG-CG2 4.02Å; K66-V145 PolarHBondContact N-O 3.12Å; K66-V145 PolarHBondContact O-N 3.32Å; K66-F147 HydrophobicContact CB-CD2 4.42Å; K66-F147 HydrophobicContact CB-CE2 4.1Å; K66-F147 HydrophobicContact CD-CD2 3.78Å; K66-F147 HydrophobicContact CD-CE2 3.46Å; K66-F147 VanDerWaalsContact CD-CE2 3.46Å; K66-F147 HydrophobicContact CD-CZ 4.17Å; K66-F147 HydrophobicContact CG-CD2 3.75Å; K66-F147 HydrophobicContact CG-CE2 3.74Å
67S94.6Very high91.8Very high24 Ų2453.9 Ų53.917%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-65.5150.4174.756.10000111.5R100 T101S67-R100 WeakPolarHBondContact O-CD 3.36Å; S67-R100 WeakPolarHBondContact OG-CB 3.4Å; S67-T101 VanDerWaalsContact CB-OG1 3.29Å; S67-T101 WeakPolarHBondContact CB-OG1 3.44Å; S67-T101 PolarHBondContact N-O 3.02Å; S67-T101 PolarHBondContact OG-N 2.89Å; S67-T101 PolarHBondContact OG-OG1 3.48Å; S67-T101 VanDerWaalsContact OG-OG1 3.06Å
68F93.7Very high91.9Very high29 Ų2950.7 Ų50.713%0.12724%0.242CC..  trans-59143.9174.3-69.8-63.5000111.7P72 G144 V145 K165 I167F68-P72 HydrophobicContact CD1-CG 4.21Å; F68-P72 HydrophobicContact CD2-CG 4.46Å; F68-P72 HydrophobicContact CE1-CG 3.96Å; F68-P72 HydrophobicContact CE2-CG 4.22Å; F68-P72 HydrophobicContact CG-CG 4.47Å; F68-P72 HydrophobicContact CZ-CG 3.98Å; F68-G144 WeakPolarHBondContact CZ-O 3.08Å; F68-V145 HydrophobicContact CD1-CG2 3.6Å; F68-V145 HydrophobicContact CE1-CG2 3.56Å; F68-K165 HydrophobicContact CE1-CB 4.2Å; F68-K165 HydrophobicContact CE1-CD 4.5Å; F68-K165 HydrophobicContact CE1-CG 4.3Å; F68-K165 HydrophobicContact CZ-CB 4.33Å; F68-I167 HydrophobicContact CZ-CG1 4.21Å
69C92.1Very high92Very high39 Ų3952 Ų5226%0.26426%0.257SS..SBendtrans-77.7-39.9173.9-56.70000111.5S92 N93 C95C69-S92 PolarHBondContact N-O 2.84Å; C69-N93 PolarHBondContact SG-O 3.13Å; C69-C95 HydrophobicContact CB-CB 3.61Å; C69-C95 WeakPolarHBondContact CB-SG 3.01Å; C69-C95 WeakPolarHBondContact SG-CB 3.45Å; C69-C95 PolarHBondContact SG-N 2.8Å; C69-C95 CovalentContact SG-SG 2.03Å; C69-C95 PolarHBondContact SG-SG 3.06Å
70K90.4Very high91.8Very high48 Ų4854 Ų5421%0.20927%0.274CS..SBendtrans-138.5143171.8-69.7-172.3-175166.40108.7P72 E75 Y81 E84 P91K70-P72 VanDerWaalsContact O-CD 3.31Å; K70-P72 WeakPolarHBondContact O-CD 3.46Å; K70-E75 VanDerWaalsContact CB-OE2 3.24Å; K70-E75 WeakPolarHBondContact CB-OE2 3.18Å; K70-E75 VanDerWaalsContact CG-OE2 3.29Å; K70-E75 WeakPolarHBondContact CG-OE2 3.21Å; K70-Y81 HydrophobicContact CB-CD2 4.22Å; K70-Y81 HydrophobicContact CB-CE2 4.4Å; K70-E84 IonicContact NZ-OE1 2.69Å; K70-E84 PolarHBondContact NZ-OE1 2.65Å; K70-E84 IonicContact NZ-OE2 2.93Å; K70-E84 PolarHBondContact NZ-OE2 3.43Å; K70-P91 HydrophobicContact CD-CB 4.13Å
71D88.1Confident91.7Very high44 Ų4452.7 Ų52.724%0.23527%0.266CS..  trans-69.3114.7-176.6-173.2-40.5000110.6V73 L74 E75D71-V73 PolarHBondContact O-N 3.18Å; D71-V73 VanDerWaalsContact O-N 3.14Å; D71-V73 WeakPolarHBondContact OD1-CA 3.2Å; D71-V73 WeakPolarHBondContact OD1-CB 3.45Å; D71-V73 PolarHBondContact OD1-N 3.34Å; D71-L74 HydrophobicContact CB-CB 4.15Å; D71-L74 PolarHBondContact OD1-N 3.29Å; D71-E75 HydrophobicContact CB-CG 4.34Å; D71-E75 WeakPolarHBondContact O-CB 3.38Å; D71-E75 PolarHBondContact O-N 2.84Å
72P87.6Confident91.5Very high15 Ų1555.4 Ų55.410%0.09728%0.279CS..THydrogen-bonded Turntrans-72.4-2.7-176.732.3-37.1000114.2F68 K70 I167F68-P72 HydrophobicContact CD1-CG 4.21Å; F68-P72 HydrophobicContact CD2-CG 4.46Å; F68-P72 HydrophobicContact CE1-CG 3.96Å; F68-P72 HydrophobicContact CE2-CG 4.22Å; F68-P72 HydrophobicContact CG-CG 4.47Å; F68-P72 HydrophobicContact CZ-CG 3.98Å; K70-P72 VanDerWaalsContact O-CD 3.31Å; K70-P72 WeakPolarHBondContact O-CD 3.46Å; P72-I167 HydrophobicContact CB-CD1 4.37Å; P72-I167 HydrophobicContact CG-CD1 3.91Å; P72-I167 HydrophobicContact CG-CG1 4.13Å
73V88.4Confident91.2Very high38 Ų3858.1 Ų58.123%0.2330%0.298CS..THydrogen-bonded Turntrans-106.6-53.2174.7-177.60000110.3D71 I167 Y169D71-V73 PolarHBondContact O-N 3.18Å; D71-V73 VanDerWaalsContact O-N 3.14Å; D71-V73 WeakPolarHBondContact OD1-CA 3.2Å; D71-V73 WeakPolarHBondContact OD1-CB 3.45Å; D71-V73 PolarHBondContact OD1-N 3.34Å; V73-I167 HydrophobicContact CG2-CD1 4.33Å; V73-I167 HydrophobicContact CG2-CG2 3.41Å; V73-I167 VanDerWaalsContact CG2-CG2 3.41Å; V73-Y169 HydrophobicContact CG1-CE1 4.23Å; V73-Y169 HydrophobicContact CG2-CE1 3.91Å
74L85.7Confident90.9Very high134 Ų13460.8 Ų60.870%0.70231%0.31SS*.THydrogen-bonded Turntrans-82-40.6-172.2-170.762.6000112.7D71D71-L74 HydrophobicContact CB-CB 4.15Å; D71-L74 PolarHBondContact OD1-N 3.29Å
75E86.8Confident90.7Very high84 Ų8459.7 Ų59.739%0.39331%0.311SS..THydrogen-bonded Turntrans-89.2-5.7-179.4-63.9-170.2174.100113.3K70 D71 Y77 S78 Y81K70-E75 VanDerWaalsContact CB-OE2 3.24Å; K70-E75 WeakPolarHBondContact CB-OE2 3.18Å; K70-E75 VanDerWaalsContact CG-OE2 3.29Å; K70-E75 WeakPolarHBondContact CG-OE2 3.21Å; D71-E75 HydrophobicContact CB-CG 4.34Å; D71-E75 WeakPolarHBondContact O-CB 3.38Å; D71-E75 PolarHBondContact O-N 2.84Å; E75-Y77 PolarHBondContact O-N 2.93Å; E75-Y77 VanDerWaalsContact O-N 3.14Å; E75-S78 WeakPolarHBondContact O-CB 3.16Å; E75-S78 PolarHBondContact O-N 2.91Å; E75-S78 PolarHBondContact O-OG 2.84Å; E75-Y81 HydrophobicContact CB-CD2 4.28Å; E75-Y81 WeakPolarHBondContact O-CB 3.39Å
76Y88.4Confident90.4Very high92 Ų9266.7 Ų66.736%0.36134%0.344SS..THydrogen-bonded Turntrans-51.1-39.3179.5-175.1-93.2000113.3S78 Y81 Q82 L85Y76-S78 VanDerWaalsContact C-N 3.31Å; Y76-Y81 HydrophobicContact CD2-CD1 4.05Å; Y76-Y81 AromaticContact CD2-CE1 3.46Å; Y76-Y81 HydrophobicContact CD2-CE1 3.46Å; Y76-Y81 VanDerWaalsContact CD2-CE1 3.46Å; Y76-Y81 AromaticContact CE2-CE1 3.99Å; Y76-Y81 HydrophobicContact CE2-CE1 3.99Å; Y76-Y81 HydrophobicContact CG-CE1 4.3Å; Y76-Q82 PolarHBondContact O-NE2 2.99Å; Y76-L85 HydrophobicContact CE2-CD2 4.35Å
77Y88.8Confident90.3Very high200 Ų20071.2 Ų71.278%0.78437%0.369SS*.THydrogen-bonded Turntrans-84.4-0.6179.8-63.6-77.2000114.1E75E75-Y77 PolarHBondContact O-N 2.93Å; E75-Y77 VanDerWaalsContact O-N 3.14Å
78S91.9Very high90Very high43 Ų4373.5 Ų73.530%0.30140%0.396SS..SBendtrans-72147.6174.475.20000111.1E75 Y76 A80 Y81 Q82E75-S78 WeakPolarHBondContact O-CB 3.16Å; E75-S78 PolarHBondContact O-N 2.91Å; E75-S78 PolarHBondContact O-OG 2.84Å; Y76-S78 VanDerWaalsContact C-N 3.31Å; S78-A80 VanDerWaalsContact C-N 3.27Å; S78-A80 PolarHBondContact O-N 2.89Å; S78-Y81 PolarHBondContact O-N 3.18Å; S78-Y81 VanDerWaalsContact OG-CB 3.25Å; S78-Y81 WeakPolarHBondContact OG-CB 3.48Å; S78-Y81 PolarHBondContact OG-N 3.11Å; S78-Q82 PolarHBondContact O-N 2.9Å; S78-Q82 VanDerWaalsContact O-N 3.15Å
79T91.5Very high89.8Confident128 Ų12876 Ų7679%0.78541%0.409SS*.Hα-helixtrans-60.3-38.3177.549.50000112Q82 S83T79-Q82 PolarHBondContact O-N 3.03Å; T79-S83 WeakPolarHBondContact O-CB 2.99Å; T79-S83 PolarHBondContact O-N 2.91Å; T79-S83 PolarHBondContact O-OG 2.78Å; T79-S83 VanDerWaalsContact O-OG 3.09Å
80A88.4Confident89.7Confident43 Ų4376.1 Ų76.136%0.35541%0.407SS..Hα-helixtrans-64-46.4178.900000112.5S78 S83 E84S78-A80 VanDerWaalsContact C-N 3.27Å; S78-A80 PolarHBondContact O-N 2.89Å; A80-S83 WeakPolarHBondContact CA-OG 3.45Å; A80-S83 PolarHBondContact O-N 2.87Å; A80-S83 PolarHBondContact O-OG 2.87Å; A80-E84 WeakPolarHBondContact O-CG 3.44Å; A80-E84 PolarHBondContact O-N 3.31Å; A80-E84 VanDerWaalsContact O-N 3.08Å
81Y91.8Very high89.6Confident9 Ų974 Ų744%0.03540%0.398CS..Hα-helixtrans-61.7-46177.5-167.8-73000110.9K70 E75 Y76 S78 S83 E84 L85 P91K70-Y81 HydrophobicContact CB-CD2 4.22Å; K70-Y81 HydrophobicContact CB-CE2 4.4Å; E75-Y81 HydrophobicContact CB-CD2 4.28Å; E75-Y81 WeakPolarHBondContact O-CB 3.39Å; Y76-Y81 HydrophobicContact CD2-CD1 4.05Å; Y76-Y81 AromaticContact CD2-CE1 3.46Å; Y76-Y81 HydrophobicContact CD2-CE1 3.46Å; Y76-Y81 VanDerWaalsContact CD2-CE1 3.46Å; Y76-Y81 AromaticContact CE2-CE1 3.99Å; Y76-Y81 HydrophobicContact CE2-CE1 3.99Å; Y76-Y81 HydrophobicContact CG-CE1 4.3Å; S78-Y81 PolarHBondContact O-N 3.18Å; S78-Y81 VanDerWaalsContact OG-CB 3.25Å; S78-Y81 WeakPolarHBondContact OG-CB 3.48Å; S78-Y81 PolarHBondContact OG-N 3.11Å; Y81-S83 PolarHBondContact O-N 2.86Å; Y81-E84 PolarHBondContact O-N 2.79Å; Y81-L85 HydrophobicContact CE1-CD1 4.07Å; Y81-L85 HydrophobicContact CE1-CD2 4.44Å; Y81-L85 WeakPolarHBondContact O-CB 3.45Å; Y81-L85 PolarHBondContact O-N 2.84Å; Y81-P91 HydrophobicContact CD1-CG 3.68Å; Y81-P91 HydrophobicContact CD2-CB 3.82Å; Y81-P91 HydrophobicContact CD2-CG 3.56Å; Y81-P91 HydrophobicContact CE1-CG 3.54Å; Y81-P91 HydrophobicContact CE2-CB 3.96Å; Y81-P91 HydrophobicContact CE2-CG 3.42Å; Y81-P91 VanDerWaalsContact CE2-CG 3.42Å; Y81-P91 HydrophobicContact CG-CB 4.16Å; Y81-P91 HydrophobicContact CG-CG 3.67Å; Y81-P91 VanDerWaalsContact CZ-CG 3.4Å
82Q91.6Very high89.7Confident59 Ų5972 Ų7228%0.27639%0.387SS..Hα-helixtrans-64.7-37.8178.2-69.6-63.4-43.700112.9Y76 S78 T79 L85 Q86Y76-Q82 PolarHBondContact O-NE2 2.99Å; S78-Q82 PolarHBondContact O-N 2.9Å; S78-Q82 VanDerWaalsContact O-N 3.15Å; T79-Q82 PolarHBondContact O-N 3.03Å; Q82-L85 PolarHBondContact O-N 2.95Å; Q82-Q86 VanDerWaalsContact O-CG 3.27Å; Q82-Q86 WeakPolarHBondContact O-CG 3.4Å; Q82-Q86 PolarHBondContact O-N 2.81Å
83S91.3Very high89.8Confident61 Ų6172.1 Ų72.143%0.42739%0.387SS..Hα-helixtrans-67.9-36176.454.30000113.3T79 A80 Y81 Q86 L87T79-S83 WeakPolarHBondContact O-CB 2.99Å; T79-S83 PolarHBondContact O-N 2.91Å; T79-S83 PolarHBondContact O-OG 2.78Å; T79-S83 VanDerWaalsContact O-OG 3.09Å; A80-S83 WeakPolarHBondContact CA-OG 3.45Å; A80-S83 PolarHBondContact O-N 2.87Å; A80-S83 PolarHBondContact O-OG 2.87Å; Y81-S83 PolarHBondContact O-N 2.86Å; S83-Q86 PolarHBondContact O-N 3.08Å; S83-L87 PolarHBondContact O-N 2.87Å
84E90.8Very high89.8Confident56 Ų5674.9 Ų74.926%0.26240%0.4SS..Hα-helixtrans-70.7-39176.6-73.7163.3-15800110.9K70 A80 Y81 Q86 L87 G88 Q89 P91K70-E84 IonicContact NZ-OE1 2.69Å; K70-E84 PolarHBondContact NZ-OE1 2.65Å; K70-E84 IonicContact NZ-OE2 2.93Å; K70-E84 PolarHBondContact NZ-OE2 3.43Å; A80-E84 WeakPolarHBondContact O-CG 3.44Å; A80-E84 PolarHBondContact O-N 3.31Å; A80-E84 VanDerWaalsContact O-N 3.08Å; Y81-E84 PolarHBondContact O-N 2.79Å; E84-Q86 PolarHBondContact O-N 2.65Å; E84-L87 WeakPolarHBondContact O-CB 3.21Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L87 VanDerWaalsContact O-N 3.11Å; E84-G88 PolarHBondContact O-N 2.88Å; E84-Q89 CarbonylContact C-O 3.55Å; E84-Q89 PolarHBondContact O-N 2.76Å; E84-Q89 VanDerWaalsContact O-N 3.11Å; E84-P91 HydrophobicContact CB-CB 4.15Å; E84-P91 VanDerWaalsContact OE2-CB 3.25Å; E84-P91 WeakPolarHBondContact OE2-CB 3.5Å
85L91.1Very high90Very high67 Ų6770 Ų7035%0.35138%0.377SS..Hα-helixtrans-62.9-39.2173.6-140.674.2000112.4Y76 Y81 Q82 L87 G88 P91Y76-L85 HydrophobicContact CE2-CD2 4.35Å; Y81-L85 HydrophobicContact CE1-CD1 4.07Å; Y81-L85 HydrophobicContact CE1-CD2 4.44Å; Y81-L85 WeakPolarHBondContact O-CB 3.45Å; Y81-L85 PolarHBondContact O-N 2.84Å; Q82-L85 PolarHBondContact O-N 2.95Å; L85-L87 PolarHBondContact O-N 3.02Å; L85-G88 PolarHBondContact O-N 2.87Å; L85-P91 HydrophobicContact CD1-CG 4.05Å
86Q91.3Very high90.3Very high162 Ų16272.1 Ų72.176%0.75739%0.387SS*.Hα-helixtrans-65.3-26.2174-75.8172.714.800113.1Q82 S83 E84 G88Q82-Q86 VanDerWaalsContact O-CG 3.27Å; Q82-Q86 WeakPolarHBondContact O-CG 3.4Å; Q82-Q86 PolarHBondContact O-N 2.81Å; S83-Q86 PolarHBondContact O-N 3.08Å; E84-Q86 PolarHBondContact O-N 2.65Å; Q86-G88 PolarHBondContact O-N 2.95Å
87L92.3Very high90.4Very high121 Ų12170.9 Ų70.963%0.63439%0.386SS*.THydrogen-bonded Turntrans-80.41.6173.5-164.957.3000112.6S83 E84 L85 Q89S83-L87 PolarHBondContact O-N 2.87Å; E84-L87 WeakPolarHBondContact O-CB 3.21Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L87 VanDerWaalsContact O-N 3.11Å; L85-L87 PolarHBondContact O-N 3.02Å; L87-Q89 HydrophobicContact CB-CG 4.46Å; L87-Q89 HydrophobicContact CD2-CG 4.49Å; L87-Q89 HydrophobicContact CG-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.38Å
88G88.7Confident90.5Very high72 Ų7266.3 Ų66.374%0.74238%0.384SS*.THydrogen-bonded Turntrans72.313.2-175.700000113.8E84 L85 Q86E84-G88 PolarHBondContact O-N 2.88Å; L85-G88 PolarHBondContact O-N 2.87Å; Q86-G88 PolarHBondContact O-N 2.95Å
89Q89.3Confident90.4Very high82 Ų8271.5 Ų71.538%0.38340%0.403SS..  trans-93.9147.1175.6-61.6-175.16.100109.9E84 L87 P91 N94E84-Q89 CarbonylContact C-O 3.55Å; E84-Q89 PolarHBondContact O-N 2.76Å; E84-Q89 VanDerWaalsContact O-N 3.11Å; L87-Q89 HydrophobicContact CB-CG 4.46Å; L87-Q89 HydrophobicContact CD2-CG 4.49Å; L87-Q89 HydrophobicContact CG-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.38Å; Q89-P91 WeakPolarHBondContact O-CD 3.04Å; Q89-N94 PolarHBondContact OE1-ND2 3Å; Q89-N94 VanDerWaalsContact OE1-ND2 3.08Å
90D88.9Confident90.5Very high41 Ų4167 Ų6722%0.21937%0.372CS..  trans-9496.2176-179.89.2000111.2S92 N93 N94 K165D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 PolarHBondContact OD1-N 2.76Å; D90-S92 VanDerWaalsContact OD1-N 3.14Å; D90-S92 PolarHBondContact OD1-OG 2.92Å; D90-S92 PolarHBondContact OD2-OG 2.03Å; D90-N93 PolarHBondContact O-N 3.48Å; D90-N93 VanDerWaalsContact O-N 3.15Å; D90-N94 WeakPolarHBondContact O-CB 3.33Å; D90-N94 PolarHBondContact O-N 2.97Å; D90-K165 IonicContact OD1-NZ 2.85Å; D90-K165 PolarHBondContact OD1-NZ 3.05Å; D90-K165 WeakPolarHBondContact OD2-CE 3.42Å; D90-K165 IonicContact OD2-NZ 2.76Å; D90-K165 PolarHBondContact OD2-NZ 2.68Å
91P89.8Confident90.7Very high4 Ų467.7 Ų67.73%0.02637%0.372CS..THydrogen-bonded Turntrans-57.3-24.8-177.925.4-38000113.9K70 Y81 E84 L85 Q89K70-P91 HydrophobicContact CD-CB 4.13Å; Y81-P91 HydrophobicContact CD1-CG 3.68Å; Y81-P91 HydrophobicContact CD2-CB 3.82Å; Y81-P91 HydrophobicContact CD2-CG 3.56Å; Y81-P91 HydrophobicContact CE1-CG 3.54Å; Y81-P91 HydrophobicContact CE2-CB 3.96Å; Y81-P91 HydrophobicContact CE2-CG 3.42Å; Y81-P91 VanDerWaalsContact CE2-CG 3.42Å; Y81-P91 HydrophobicContact CG-CB 4.16Å; Y81-P91 HydrophobicContact CG-CG 3.67Å; Y81-P91 VanDerWaalsContact CZ-CG 3.4Å; E84-P91 HydrophobicContact CB-CB 4.15Å; E84-P91 VanDerWaalsContact OE2-CB 3.25Å; E84-P91 WeakPolarHBondContact OE2-CB 3.5Å; L85-P91 HydrophobicContact CD1-CG 4.05Å; Q89-P91 WeakPolarHBondContact O-CD 3.04Å
92S88.7Confident90.8Very high0 Ų070.3 Ų70.30%039%0.388CS..THydrogen-bonded Turntrans-77.6-20.6-176.767.30000113.7C69 D90 K165C69-S92 PolarHBondContact N-O 2.84Å; D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 PolarHBondContact OD1-N 2.76Å; D90-S92 VanDerWaalsContact OD1-N 3.14Å; D90-S92 PolarHBondContact OD1-OG 2.92Å; D90-S92 PolarHBondContact OD2-OG 2.03Å; S92-K165 WeakPolarHBondContact OG-CE 3.46Å; S92-K165 PolarHBondContact OG-NZ 2.69Å
93N90.3Very high91Very high18 Ų1871.4 Ų71.410%0.09639%0.39CS..THydrogen-bonded Turntrans-127-17.8-175.4-171.929.2000113.9C69 D90 C95 R100 V145 E163C69-N93 PolarHBondContact SG-O 3.13Å; D90-N93 PolarHBondContact O-N 3.48Å; D90-N93 VanDerWaalsContact O-N 3.15Å; N93-C95 VanDerWaalsContact C-N 3.29Å; N93-C95 PolarHBondContact O-N 2.64Å; N93-R100 PolarHBondContact O-NH1 3Å; N93-R100 PolarHBondContact OD1-NH1 2.76Å; N93-V145 HydrophobicContact CB-CG2 4.37Å; N93-E163 PolarHBondContact ND2-OE1 2.71Å; N93-E163 PolarHBondContact ND2-OE2 2.84Å
94N88.8Confident91.2Very high97 Ų9771.1 Ų71.152%0.51939%0.386SS..  trans-77.668.7-178.4-17026.3000112.8Q89 D90Q89-N94 PolarHBondContact OE1-ND2 3Å; Q89-N94 VanDerWaalsContact OE1-ND2 3.08Å; D90-N94 WeakPolarHBondContact O-CB 3.33Å; D90-N94 PolarHBondContact O-N 2.97Å
95C89.8Confident91.4Very high31 Ų3168.5 Ų68.521%0.20937%0.373CS..SBendtrans-145.8159.9168.269.40000111.9C69 N93C69-C95 HydrophobicContact CB-CB 3.61Å; C69-C95 WeakPolarHBondContact CB-SG 3.01Å; C69-C95 WeakPolarHBondContact SG-CB 3.45Å; C69-C95 PolarHBondContact SG-N 2.8Å; C69-C95 CovalentContact SG-SG 2.03Å; C69-C95 PolarHBondContact SG-SG 3.06Å; N93-C95 VanDerWaalsContact C-N 3.29Å; N93-C95 PolarHBondContact O-N 2.64Å
96Q91.9Very high91.7Very high129 Ų12965.3 Ų65.360%0.60336%0.357SS*.  trans-67.7139.7-179.5-169.565.323.200110.9S98 Q99Q96-S98 VanDerWaalsContact CG-OG 3.27Å; Q96-S98 WeakPolarHBondContact CG-OG 3.36Å; Q96-S98 PolarHBondContact O-N 2.98Å; Q96-Q99 HydrophobicContact CB-CG 4.42Å; Q96-Q99 WeakPolarHBondContact O-CB 3.3Å; Q96-Q99 PolarHBondContact O-N 2.71Å
97D90.6Very high91.9Very high65 Ų6560.9 Ų60.935%0.34834%0.336SS..G310 helixtrans-59-19.2178.9-80.71.9000114.3K66 Q99 R100 V102K66-D97 VanDerWaalsContact NZ-CG 3.3Å; K66-D97 IonicContact NZ-OD1 3.71Å; K66-D97 PolarHBondContact NZ-OD1 3.1Å; K66-D97 VanDerWaalsContact NZ-OD1 3.08Å; K66-D97 IonicContact NZ-OD2 3.37Å; K66-D97 PolarHBondContact NZ-OD2 2.8Å; D97-Q99 VanDerWaalsContact C-N 3.34Å; D97-R100 VanDerWaalsContact O-O 3.05Å; D97-R100 IonicContact OD1-CZ 3.02Å; D97-R100 IonicContact OD1-NE 2.71Å; D97-R100 PolarHBondContact OD1-NE 3.08Å; D97-R100 IonicContact OD1-NH2 3.13Å; D97-R100 PolarHBondContact OD1-NH2 2.85Å; D97-V102 HydrophobicContact CB-CG2 4.01Å
98S90.9Very high92Very high104 Ų10456.8 Ų56.873%0.72731%0.313SS*.G310 helixtrans-77.1-15.1173.157.20000114.6Q96Q96-S98 VanDerWaalsContact CG-OG 3.27Å; Q96-S98 WeakPolarHBondContact CG-OG 3.36Å; Q96-S98 PolarHBondContact O-N 2.98Å
99Q91.3Very high92.3Very high153 Ų15360.4 Ų60.472%0.71530%0.304SS*.G310 helixtrans-94.9-5178-64.7177.6-13.800112.5Q96 D97Q96-Q99 HydrophobicContact CB-CG 4.42Å; Q96-Q99 WeakPolarHBondContact O-CB 3.3Å; Q96-Q99 PolarHBondContact O-N 2.71Å; D97-Q99 VanDerWaalsContact C-N 3.34Å
100R92.6Very high92.3Very high32 Ų3257.1 Ų57.112%0.12129%0.293CS..SBendtrans-131.4164-176.659.8173.5173.6-166.6-10.1111.8K66 S67 N93 D97 V102K66-R100 VanDerWaalsContact CD-CZ 3.47Å; S67-R100 WeakPolarHBondContact O-CD 3.36Å; S67-R100 WeakPolarHBondContact OG-CB 3.4Å; N93-R100 PolarHBondContact O-NH1 3Å; N93-R100 PolarHBondContact OD1-NH1 2.76Å; D97-R100 VanDerWaalsContact O-O 3.05Å; D97-R100 IonicContact OD1-CZ 3.02Å; D97-R100 IonicContact OD1-NE 2.71Å; D97-R100 PolarHBondContact OD1-NE 3.08Å; D97-R100 IonicContact OD1-NH2 3.13Å; D97-R100 PolarHBondContact OD1-NH2 2.85Å; R100-V102 HydrophobicContact CG-CG2 4.24Å
101T92.6Very high92.2Very high59 Ų5959.9 Ų59.936%0.36232%0.315SS..  trans-80.8126.6172.8600000109.5K66 S67K66-T101 CarbonylContact C-O 3.57Å; K66-T101 VanDerWaalsContact CA-O 3.29Å; K66-T101 WeakPolarHBondContact CA-O 3.36Å; S67-T101 VanDerWaalsContact CB-OG1 3.29Å; S67-T101 WeakPolarHBondContact CB-OG1 3.44Å; S67-T101 PolarHBondContact N-O 3.02Å; S67-T101 PolarHBondContact OG-N 2.89Å; S67-T101 PolarHBondContact OG-OG1 3.48Å; S67-T101 VanDerWaalsContact OG-OG1 3.06Å
102V94.9Very high92.2Very high63 Ų6364.2 Ų64.238%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-121.5125.8175.3-179.20000108.7Y65 K66 D97 R100Y65-V102 WeakPolarHBondContact O-CA 3.33Å; K66-V102 HydrophobicContact CB-CG2 4.5Å; K66-V102 HydrophobicContact CD-CG2 4.06Å; K66-V102 HydrophobicContact CG-CG1 4.19Å; K66-V102 HydrophobicContact CG-CG2 4.02Å; D97-V102 HydrophobicContact CB-CG2 4.01Å; R100-V102 HydrophobicContact CG-CG2 4.24Å
103R94.8Very high92.3Very high83 Ų8372 Ų7231%0.31338%0.375SS..EExtended strand (participates in β ladder)trans-139.7140.1-170.9-63.1159.9178.3-146.510.4109.9R64 Y65 E119 Y120R64-R103 CarbonylContact C-O 3.57Å; R64-R103 WeakPolarHBondContact CA-O 3.29Å; Y65-R103 HydrophobicContact CD1-CB 4.24Å; Y65-R103 HydrophobicContact CD1-CG 4.4Å; Y65-R103 PolarHBondContact N-O 2.92Å; Y65-R103 PolarHBondContact O-N 2.91Å; R103-E119 WeakPolarHBondContact CD-OE2 3.3Å; R103-E119 WeakPolarHBondContact CG-OE2 3.48Å; R103-E119 IonicContact CZ-OE2 3.61Å; R103-E119 IonicContact NE-OE1 3.04Å; R103-E119 IonicContact NE-OE2 2.69Å; R103-E119 PolarHBondContact NE-OE2 2.83Å; R103-E119 VanDerWaalsContact NE-OE2 3.1Å; R103-E119 IonicContact NH1-OE2 3.75Å; R103-E119 PolarHBondContact NH1-OE2 2.78Å; R103-Y120 HydrophobicContact CB-CE2 4.18Å
104V95.3Very high92.4Very high55 Ų5573.4 Ų73.433%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-80.4125.9169.5175.60000108.1T62 Q107 G117 Y120T62-V104 HydrophobicContact CG2-CG1 4.2Å; V104-Q107 HydrophobicContact CG1-CG 3.63Å; V104-G117 WeakPolarHBondContact O-CA 3.28Å; V104-Y120 WeakPolarHBondContact O-CD2 3.31Å
105V96.2Very high92.7Very high0 Ų074.2 Ų74.20%039%0.387CS..EExtended strand (participates in β ladder)trans-87.9-55.5-180-1780000109.9W63 G117 Y120 I125 L133 Y146W63-V105 HydrophobicContact CB-CB 4.26Å; W63-V105 PolarHBondContact O-N 2.82Å; V105-G117 PolarHBondContact O-N 3.08Å; V105-Y120 HydrophobicContact CB-CD2 4.44Å; V105-Y120 HydrophobicContact CB-CE2 4.35Å; V105-Y120 HydrophobicContact CG1-CD1 4.46Å; V105-Y120 HydrophobicContact CG1-CD2 4.46Å; V105-Y120 HydrophobicContact CG1-CG 4.4Å; V105-Y120 HydrophobicContact CG2-CE2 3.98Å; V105-I125 HydrophobicContact CG1-CD1 4.1Å; V105-I125 HydrophobicContact CG1-CG2 4.07Å; V105-L133 HydrophobicContact CG1-CD1 4.16Å; V105-L133 HydrophobicContact CG1-CD2 4.35Å; V105-Y146 HydrophobicContact CG2-CD1 4.25Å; V105-Y146 HydrophobicContact CG2-CE1 3.97Å
106I96.3Very high93Very high0 Ų074.5 Ų74.50%039%0.387CS..EExtended strand (participates in β ladder)trans-156147.3-176.6-165.2163.6000110.1W63 P114 I115 L116 M127 L133W63-I106 HydrophobicContact CB-CG2 3.96Å; W63-I106 HydrophobicContact CG-CG2 4.32Å; W63-I106 PolarHBondContact N-O 3.44Å; I106-P114 HydrophobicContact CD1-CB 3.88Å; I106-P114 HydrophobicContact CD1-CG 4.44Å; I106-P114 HydrophobicContact CG1-CB 4.02Å; I106-I115 CarbonylContact C-O 3.53Å; I106-I115 WeakPolarHBondContact CA-O 3.42Å; I106-L116 HydrophobicContact CD1-CD1 3.79Å; I106-L116 HydrophobicContact CD1-CG 4.04Å; I106-L116 HydrophobicContact CG1-CD1 4.18Å; I106-L116 HydrophobicContact CG1-CG 4.2Å; I106-M127 HydrophobicContact CD1-CB 4.22Å; I106-M127 HydrophobicContact CG1-CE 4.36Å; I106-M127 HydrophobicContact CG2-CE 3.8Å; I106-L133 HydrophobicContact CG2-CD1 3.46Å; I106-L133 VanDerWaalsContact CG2-CD1 3.46Å
107Q95.9Very high93.1Very high70 Ų7068.9 Ų68.933%0.32736%0.363SS..EExtended strand (participates in β ladder)trans-131.5142.2178.5-68.1-172.3-45.600110.2L60 V61 T62 V104 P114 I115L60-Q107 HydrophobicContact CD1-CB 4.35Å; V61-Q107 CarbonylContact O-C 3.51Å; V61-Q107 VanDerWaalsContact O-CA 3.3Å; V61-Q107 WeakPolarHBondContact O-CA 3.38Å; T62-Q107 HydrophobicContact CG2-CG 3.87Å; T62-Q107 PolarHBondContact OG1-NE2 2.91Å; T62-Q107 VanDerWaalsContact OG1-NE2 3.09Å; V104-Q107 HydrophobicContact CG1-CG 3.63Å; Q107-P114 CarbonylContact O-C 3.6Å; Q107-P114 WeakPolarHBondContact O-CA 3.41Å; Q107-I115 PolarHBondContact N-O 3.22Å; Q107-I115 PolarHBondContact O-N 3.17Å
108K94.9Very high93.2Very high35 Ų3570.2 Ų70.215%0.15238%0.378CS..EExtended strand (participates in β ladder)trans-140.2122.6177.1-177.9-175.2174-1720108.5V61 G110 P114 M127 N129 K130V61-K108 PolarHBondContact N-O 2.7Å; V61-K108 PolarHBondContact O-N 2.81Å; K108-G110 VanDerWaalsContact CE-O 3.28Å; K108-G110 WeakPolarHBondContact CE-O 3.48Å; K108-P114 HydrophobicContact CB-CB 4.28Å; K108-M127 HydrophobicContact CB-CE 3.6Å; K108-M127 HydrophobicContact CB-SD 3.53Å; K108-M127 VanDerWaalsContact CB-SD 3.53Å; K108-M127 HydrophobicContact CD-CB 4.5Å; K108-M127 HydrophobicContact CD-CG 4.3Å; K108-M127 HydrophobicContact CD-SD 3.48Å; K108-M127 WeakPolarHBondContact CD-SD 3.29Å; K108-M127 HydrophobicContact CG-SD 4.17Å; K108-N129 PolarHBondContact NZ-O 3.05Å; K108-K130 PolarHBondContact NZ-O 3.04Å
109R94.5Very high93.2Very high148 Ų14870.1 Ų70.156%0.55837%0.366SS*.EExtended strand (participates in β ladder)trans-101.2111.6173.3176.7176.4-90-168.5-7.4109V59 L60 S111 N112V59-R109 CarbonylContact O-C 3.59Å; V59-R109 WeakPolarHBondContact O-CA 3.38Å; L60-R109 HydrophobicContact CD1-CB 4.29Å; R109-S111 PolarHBondContact O-N 3.03Å; R109-N112 VanDerWaalsContact O-CB 3.29Å; R109-N112 WeakPolarHBondContact O-CB 3.27Å; R109-N112 PolarHBondContact O-N 3.31Å; R109-N112 VanDerWaalsContact O-N 3.09Å; R109-N112 PolarHBondContact O-ND2 3.36Å
110G89.1Confident93.3Very high13 Ų1362.9 Ų62.913%0.13433%0.332CS..THydrogen-bonded Turntrans52.7-125.2-179.100000113.5P56 V59 K108P56-G110 WeakPolarHBondContact O-CA 3.47Å; V59-G110 PolarHBondContact O-N 2.83Å; K108-G110 VanDerWaalsContact CE-O 3.28Å; K108-G110 WeakPolarHBondContact CE-O 3.48Å
111S87.6Confident93.2Very high98 Ų9870.4 Ų70.469%0.68536%0.361SS*.THydrogen-bonded Turntrans-891178.953.50000114.8R109R109-S111 PolarHBondContact O-N 3.03Å
112N89.7Confident93.2Very high96 Ų9677 Ų7751%0.51339%0.387SS..SBendtrans-67162.9178.9-61.3-65.6000111.9R109R109-N112 VanDerWaalsContact O-CB 3.29Å; R109-N112 WeakPolarHBondContact O-CB 3.27Å; R109-N112 PolarHBondContact O-N 3.31Å; R109-N112 VanDerWaalsContact O-N 3.09Å; R109-N112 PolarHBondContact O-ND2 3.36Å
113E90.4Very high93.1Very high164 Ų16475.6 Ų75.677%0.76638%0.375SS*.PPolyproline II helixtrans-59.1142.7173.664.1-179.3178.400111.8I115E113-I115 PolarHBondContact O-N 3.09Å
114P93Very high93.1Very high47 Ų4777.3 Ų77.331%0.30539%0.385SS..PPolyproline II helixtrans-78.6123.6-178.632.4-34.7000110.8I106 Q107 K108 M127I106-P114 HydrophobicContact CD1-CB 3.88Å; I106-P114 HydrophobicContact CD1-CG 4.44Å; I106-P114 HydrophobicContact CG1-CB 4.02Å; Q107-P114 CarbonylContact O-C 3.6Å; Q107-P114 WeakPolarHBondContact O-CA 3.41Å; K108-P114 HydrophobicContact CB-CB 4.28Å; P114-M127 HydrophobicContact CB-CB 4.1Å
115I94.6Very high93.1Very high113 Ų11374.9 Ų74.958%0.57937%0.37SS*.EExtended strand (participates in β ladder)trans-91.7121.4-178.3-56.7173.7000109.1I106 Q107 E113I106-I115 CarbonylContact C-O 3.53Å; I106-I115 WeakPolarHBondContact CA-O 3.42Å; Q107-I115 PolarHBondContact N-O 3.22Å; Q107-I115 PolarHBondContact O-N 3.17Å; E113-I115 PolarHBondContact O-N 3.09Å
116L95.7Very high93Very high37 Ų3777.5 Ų77.519%0.19439%0.386CS..EExtended strand (participates in β ladder)trans-78.7146.9175.8-75.874.6000111.3I106 Y120 R123 I125I106-L116 HydrophobicContact CD1-CD1 3.79Å; I106-L116 HydrophobicContact CD1-CG 4.04Å; I106-L116 HydrophobicContact CG1-CD1 4.18Å; I106-L116 HydrophobicContact CG1-CG 4.2Å; L116-Y120 VanDerWaalsContact CD2-O 3.23Å; L116-Y120 WeakPolarHBondContact CD2-O 3.34Å; L116-R123 WeakPolarHBondContact CD2-O 3.43Å; L116-I125 HydrophobicContact CD2-CB 4.03Å
117G93.7Very high92.9Very high11 Ų1178.2 Ų78.211%0.11339%0.389CS..PPolyproline II helixtrans-61.5156.6172.600000112.1V104 V105 E119 Y120 R121V104-G117 WeakPolarHBondContact O-CA 3.28Å; V105-G117 PolarHBondContact O-N 3.08Å; G117-E119 PolarHBondContact O-N 2.78Å; G117-E119 VanDerWaalsContact O-N 3.11Å; G117-Y120 PolarHBondContact O-N 2.78Å; G117-R121 WeakPolarHBondContact O-CG 3.39Å; G117-R121 PolarHBondContact O-N 2.8Å
118S92.5Very high92.8Very high93 Ų9379.4 Ų79.465%0.6540%0.395SS*.THydrogen-bonded Turntrans-48.9-41.5-175.844.20000114Y120S118-Y120 VanDerWaalsContact C-N 3.35Å
119E91.5Very high92.6Very high102 Ų10283.7 Ų83.748%0.47742%0.419SS..THydrogen-bonded Turntrans-78.8-14.6-178.3-57.5179.9-163.700114.4R103 G117R103-E119 WeakPolarHBondContact CD-OE2 3.3Å; R103-E119 WeakPolarHBondContact CG-OE2 3.48Å; R103-E119 IonicContact CZ-OE2 3.61Å; R103-E119 IonicContact NE-OE1 3.04Å; R103-E119 IonicContact NE-OE2 2.69Å; R103-E119 PolarHBondContact NE-OE2 2.83Å; R103-E119 VanDerWaalsContact NE-OE2 3.1Å; R103-E119 IonicContact NH1-OE2 3.75Å; R103-E119 PolarHBondContact NH1-OE2 2.78Å; G117-E119 PolarHBondContact O-N 2.78Å; G117-E119 VanDerWaalsContact O-N 3.11Å
120Y92.9Very high92.3Very high2 Ų281.6 Ų81.61%0.00841%0.414CS..THydrogen-bonded Turntrans-109.5-1.7-174.8-65.2-83.1000113.1R103 V104 V105 L116 G117 S118 E122 R123 I125R103-Y120 HydrophobicContact CB-CE2 4.18Å; V104-Y120 WeakPolarHBondContact O-CD2 3.31Å; V105-Y120 HydrophobicContact CB-CD2 4.44Å; V105-Y120 HydrophobicContact CB-CE2 4.35Å; V105-Y120 HydrophobicContact CG1-CD1 4.46Å; V105-Y120 HydrophobicContact CG1-CD2 4.46Å; V105-Y120 HydrophobicContact CG1-CG 4.4Å; V105-Y120 HydrophobicContact CG2-CE2 3.98Å; L116-Y120 VanDerWaalsContact CD2-O 3.23Å; L116-Y120 WeakPolarHBondContact CD2-O 3.34Å; G117-Y120 PolarHBondContact O-N 2.78Å; S118-Y120 VanDerWaalsContact C-N 3.35Å; Y120-E122 VanDerWaalsContact C-N 3.26Å; Y120-E122 PolarHBondContact O-N 3.1Å; Y120-E122 VanDerWaalsContact O-N 3.11Å; Y120-R123 WeakPolarHBondContact O-CB 3.28Å; Y120-R123 PolarHBondContact O-N 2.81Å; Y120-I125 HydrophobicContact CD1-CD1 3.5Å; Y120-I125 VanDerWaalsContact CD1-CD1 3.5Å; Y120-I125 HydrophobicContact CE1-CD1 4.18Å; Y120-I125 HydrophobicContact CG-CD1 4.21Å
121R91.7Very high92.5Very high190 Ų19081 Ų8172%0.71741%0.408SS*.THydrogen-bonded Turntrans-51.4-36.9-173.7-70.6-176.7172.7-167-1.3115.3G117 R123G117-R121 WeakPolarHBondContact O-CG 3.39Å; G117-R121 PolarHBondContact O-N 2.8Å; R121-R123 VanDerWaalsContact C-N 3.32Å
122E92.3Very high92.9Very high197 Ų19777 Ų7792%0.92138%0.379SS*.THydrogen-bonded Turntrans-88.51.7-177.9-63.3178.9-177.700113.1Y120Y120-E122 VanDerWaalsContact C-N 3.26Å; Y120-E122 PolarHBondContact O-N 3.1Å; Y120-E122 VanDerWaalsContact O-N 3.11Å
123R92.8Very high93.2Very high33 Ų3372.4 Ų72.413%0.12536%0.355CS..SBendtrans-105146.2-173.2-58.4-168.167.5-148.7-0.1112L116 Y120 R121 I125 E137 M139 D142L116-R123 WeakPolarHBondContact CD2-O 3.43Å; Y120-R123 WeakPolarHBondContact O-CB 3.28Å; Y120-R123 PolarHBondContact O-N 2.81Å; R121-R123 VanDerWaalsContact C-N 3.32Å; R123-I125 HydrophobicContact CB-CD1 4.29Å; R123-I125 HydrophobicContact CB-CG1 4.16Å; R123-I125 PolarHBondContact O-N 3.4Å; R123-E137 PolarHBondContact NH2-O 3.38Å; R123-M139 VanDerWaalsContact NH2-CG 3.34Å; R123-M139 PolarHBondContact NH2-SD 2.61Å; R123-M139 VanDerWaalsContact NH2-SD 3.44Å; R123-D142 IonicContact CZ-OD1 2.65Å; R123-D142 IonicContact CZ-OD2 3.85Å; R123-D142 VanDerWaalsContact NH1-CG 3.32Å; R123-D142 IonicContact NH1-OD1 2.81Å; R123-D142 PolarHBondContact NH1-OD1 2.75Å; R123-D142 IonicContact NH1-OD2 3.84Å; R123-D142 PolarHBondContact NH1-OD2 2.87Å; R123-D142 VanDerWaalsContact NH1-OD2 3.13Å; R123-D142 IonicContact NH2-OD1 2.64Å; R123-D142 IonicContact NH2-OD2 2.68Å; R123-D142 PolarHBondContact NH2-OD2 3.05Å
124K93.8Very high93.5Very high120 Ų12064.8 Ų64.852%0.52232%0.319SS..  trans-77.765.6-179.9-59.8174.5-166.6161.60111.1N136 E137K124-N136 HydrophobicContact CB-CB 4.02Å; K124-N136 WeakPolarHBondContact O-CB 3.05Å; K124-N136 PolarHBondContact O-N 2.03Å; K124-N136 VanDerWaalsContact O-N 3.08Å; K124-N136 PolarHBondContact O-ND2 3.02Å; K124-E137 WeakPolarHBondContact CD-OE1 3.34Å; K124-E137 WeakPolarHBondContact CE-OE1 3.37Å; K124-E137 IonicContact NZ-OE1 3.05Å; K124-E137 PolarHBondContact NZ-OE1 2.91Å; K124-E137 IonicContact NZ-OE2 2.65Å
125I95.4Very high93.6Very high4 Ų462.6 Ų62.62%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-111.4133.4176.2-55.3-178.8000108.1V105 L116 Y120 R123 L133 V134 I135V105-I125 HydrophobicContact CG1-CD1 4.1Å; V105-I125 HydrophobicContact CG1-CG2 4.07Å; L116-I125 HydrophobicContact CD2-CB 4.03Å; Y120-I125 HydrophobicContact CD1-CD1 3.5Å; Y120-I125 VanDerWaalsContact CD1-CD1 3.5Å; Y120-I125 HydrophobicContact CE1-CD1 4.18Å; Y120-I125 HydrophobicContact CG-CD1 4.21Å; R123-I125 HydrophobicContact CB-CD1 4.29Å; R123-I125 HydrophobicContact CB-CG1 4.16Å; R123-I125 PolarHBondContact O-N 3.4Å; I125-L133 HydrophobicContact CG2-CD1 3.54Å; I125-V134 CarbonylContact C-O 3.58Å; I125-V134 WeakPolarHBondContact CA-O 3.5Å; I125-I135 HydrophobicContact CD1-CG1 4.26Å; I125-I135 HydrophobicContact CG1-CG1 4.21Å; I125-I135 HydrophobicContact CG1-CG2 4.27Å; I125-I135 HydrophobicContact CG2-CG1 4.14Å
126T94.6Very high93.6Very high54 Ų5460.2 Ų60.233%0.33129%0.293SS..EExtended strand (participates in β ladder)trans-137.7159.4-177.257.60000110.7V134T126-V134 PolarHBondContact N-O 2.84Å; T126-V134 PolarHBondContact O-N 3.31Å
127M95.3Very high93.6Very high15 Ų1562 Ų627%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-109.3121171.4-164.3-177.6-57.300109.3V61 I106 K108 P114 D132V61-M127 HydrophobicContact CB-CE 4.31Å; V61-M127 HydrophobicContact CB-SD 4.1Å; V61-M127 HydrophobicContact CG1-CE 3.94Å; V61-M127 HydrophobicContact CG1-SD 3.79Å; I106-M127 HydrophobicContact CD1-CB 4.22Å; I106-M127 HydrophobicContact CG1-CE 4.36Å; I106-M127 HydrophobicContact CG2-CE 3.8Å; K108-M127 HydrophobicContact CB-CE 3.6Å; K108-M127 HydrophobicContact CB-SD 3.53Å; K108-M127 VanDerWaalsContact CB-SD 3.53Å; K108-M127 HydrophobicContact CD-CB 4.5Å; K108-M127 HydrophobicContact CD-CG 4.3Å; K108-M127 HydrophobicContact CD-SD 3.48Å; K108-M127 WeakPolarHBondContact CD-SD 3.29Å; K108-M127 HydrophobicContact CG-SD 4.17Å; P114-M127 HydrophobicContact CB-CB 4.1Å; M127-D132 CarbonylContact C-O 3.55Å; M127-D132 VanDerWaalsContact CA-O 3.3Å; M127-D132 WeakPolarHBondContact CA-O 3.45Å
128Q92.6Very high93.6Very high95 Ų9561.5 Ų61.544%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-107.5164-178.7-63.5-171.811.500111.1K130 D132 V134Q128-K130 PolarHBondContact O-N 2.69Å; Q128-D132 HydrophobicContact CB-CB 4.44Å; Q128-D132 PolarHBondContact N-O 3.44Å; Q128-D132 PolarHBondContact O-N 3.07Å; Q128-V134 HydrophobicContact CB-CG2 4.15Å; Q128-V134 HydrophobicContact CG-CB 4.43Å; Q128-V134 HydrophobicContact CG-CG2 3.74Å
129N90.3Very high93.7Very high125 Ų12559.3 Ų59.367%0.66828%0.275SS*.THydrogen-bonded Turntrans51-126.8-179.4-56.1-37.8000111.5K108 D132K108-N129 PolarHBondContact NZ-O 3.05Å; N129-D132 PolarHBondContact ND2-OD2 3.48Å
130K88.3Confident93.6Very high105 Ų10562.5 Ų62.546%0.45728%0.283SS..THydrogen-bonded Turntrans-77.7-63.9173.4-60-173.8-161.8147.40111.1D49 Y50 K108 Q128D49-K130 WeakPolarHBondContact OD1-CD 3.37Å; D49-K130 WeakPolarHBondContact OD1-CE 3.02Å; D49-K130 IonicContact OD1-NZ 3.1Å; D49-K130 PolarHBondContact OD1-NZ 2.81Å; Y50-K130 HydrophobicContact CD1-CB 4.45Å; Y50-K130 HydrophobicContact CE1-CB 3.96Å; K108-K130 PolarHBondContact NZ-O 3.04Å; Q128-K130 PolarHBondContact O-N 2.69Å
131A94.4Very high93.5Very high0 Ų067.1 Ų67.10%030%0.301CS..THydrogen-bonded Turntrans-141.214.9-170.700000114.1C48 Y50 V61 W63 L133C48-A131 HydrophobicContact CB-CB 4.18Å; C48-A131 WeakPolarHBondContact O-CB 3.02Å; Y50-A131 HydrophobicContact CD1-CB 3.99Å; Y50-A131 HydrophobicContact CE1-CB 4.08Å; V61-A131 HydrophobicContact CG1-CB 3.59Å; V61-A131 HydrophobicContact CG2-CB 4.17Å; W63-A131 PolarHBondContact NE1-O 2.81Å; A131-L133 PolarHBondContact O-N 2.88Å
132D95.8Very high93.6Very high14 Ų1458.1 Ų58.18%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-69.9125.8-178.8-70.1-27.7000111.2T45 R47 C48 M127 Q128 N129T45-D132 HydrophobicContact CG2-CB 4.21Å; R47-D132 WeakPolarHBondContact CA-OD1 3.49Å; C48-D132 PolarHBondContact N-OD1 2.89Å; M127-D132 CarbonylContact C-O 3.55Å; M127-D132 VanDerWaalsContact CA-O 3.3Å; M127-D132 WeakPolarHBondContact CA-O 3.45Å; Q128-D132 HydrophobicContact CB-CB 4.44Å; Q128-D132 PolarHBondContact N-O 3.44Å; Q128-D132 PolarHBondContact O-N 3.07Å; N129-D132 PolarHBondContact ND2-OD2 3.48Å
133L95.9Very high93.7Very high0 Ų050 Ų500%023%0.23CC..EExtended strand (participates in β ladder)trans-86.9122.6175.7-179.865.8000110.2T45 L46 W63 V105 I106 I125 A131 I135 Y146T45-L133 CarbonylContact C-O 3.59Å; T45-L133 VanDerWaalsContact CA-O 3.28Å; T45-L133 WeakPolarHBondContact CA-O 3.42Å; L46-L133 HydrophobicContact CB-CB 4.28Å; L46-L133 HydrophobicContact CD1-CD2 4.15Å; L46-L133 PolarHBondContact N-O 3.38Å; L46-L133 PolarHBondContact O-N 3.45Å; W63-L133 HydrophobicContact CB-CD2 4.3Å; W63-L133 HydrophobicContact CD2-CB 3.87Å; W63-L133 HydrophobicContact CD2-CD2 3.97Å; W63-L133 HydrophobicContact CD2-CG 4.45Å; W63-L133 HydrophobicContact CE3-CD2 4.12Å; W63-L133 HydrophobicContact CG-CB 4.12Å; W63-L133 HydrophobicContact CG-CD1 4.34Å; W63-L133 HydrophobicContact CG-CD2 4.09Å; W63-L133 HydrophobicContact CG-CG 4.43Å; W63-L133 HydrophobicContact CH2-CB 4.46Å; W63-L133 HydrophobicContact CZ2-CB 3.83Å; V105-L133 HydrophobicContact CG1-CD1 4.16Å; V105-L133 HydrophobicContact CG1-CD2 4.35Å; I106-L133 HydrophobicContact CG2-CD1 3.46Å; I106-L133 VanDerWaalsContact CG2-CD1 3.46Å; I125-L133 HydrophobicContact CG2-CD1 3.54Å; A131-L133 PolarHBondContact O-N 2.88Å; L133-I135 HydrophobicContact CD2-CD1 4.26Å; L133-I135 HydrophobicContact CD2-CG1 4.44Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; L133-Y146 HydrophobicContact CD2-CD1 3.61Å; L133-Y146 HydrophobicContact CD2-CE1 3.92Å
134V96.1Very high93.8Very high4 Ų448.5 Ų48.52%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-116.2117.8176.3-1770000110.1V44 T45 I125 T126 Q128V44-V134 WeakPolarHBondContact O-CA 3.24Å; T45-V134 HydrophobicContact CG2-CG2 3.84Å; I125-V134 CarbonylContact C-O 3.58Å; I125-V134 WeakPolarHBondContact CA-O 3.5Å; T126-V134 PolarHBondContact N-O 2.84Å; T126-V134 PolarHBondContact O-N 3.31Å; Q128-V134 HydrophobicContact CB-CG2 4.15Å; Q128-V134 HydrophobicContact CG-CB 4.43Å; Q128-V134 HydrophobicContact CG-CG2 3.74Å
135I96.3Very high93.9Very high1 Ų142.8 Ų42.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-107.9110175.1-58.1169.6000106.5S43 V44 I125 L133 V138 Y146 L166S43-I135 CarbonylContact C-O 3.52Å; S43-I135 WeakPolarHBondContact CA-O 3.47Å; V44-I135 HydrophobicContact CG1-CB 3.99Å; V44-I135 HydrophobicContact CG1-CD1 4.37Å; V44-I135 PolarHBondContact N-O 2.63Å; V44-I135 PolarHBondContact O-N 2.87Å; I125-I135 HydrophobicContact CD1-CG1 4.26Å; I125-I135 HydrophobicContact CG1-CG1 4.21Å; I125-I135 HydrophobicContact CG1-CG2 4.27Å; I125-I135 HydrophobicContact CG2-CG1 4.14Å; L133-I135 HydrophobicContact CD2-CD1 4.26Å; L133-I135 HydrophobicContact CD2-CG1 4.44Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; I135-V138 HydrophobicContact CB-CG2 4.35Å; I135-V138 HydrophobicContact CG2-CG2 3.85Å; I135-Y146 HydrophobicContact CD1-CE1 4.05Å; I135-L166 HydrophobicContact CD1-CD2 4.19Å
136N94.8Very high93.9Very high63 Ų6342.6 Ų42.634%0.33720%0.198SC..SBendtrans-76.3-29.5-175-70.4-34000113.6S43 K124S43-N136 WeakPolarHBondContact CA-O 3.41Å; K124-N136 HydrophobicContact CB-CB 4.02Å; K124-N136 WeakPolarHBondContact O-CB 3.05Å; K124-N136 PolarHBondContact O-N 2.03Å; K124-N136 VanDerWaalsContact O-N 3.08Å; K124-N136 PolarHBondContact O-ND2 3.02Å
137E94.4Very high94Very high75 Ų7541 Ų4135%0.3519%0.187SC..SBendtrans-13385.8-174.6-70.2172.1-173.600109.5R123 K124R123-E137 PolarHBondContact NH2-O 3.38Å; K124-E137 WeakPolarHBondContact CD-OE1 3.34Å; K124-E137 WeakPolarHBondContact CE-OE1 3.37Å; K124-E137 IonicContact NZ-OE1 3.05Å; K124-E137 PolarHBondContact NZ-OE1 2.91Å; K124-E137 IonicContact NZ-OE2 2.65Å
138V94.6Very high94Very high0 Ų040.2 Ų40.20%018%0.183CC..  trans-67.7130.4179.8174.20000111.1T38 F41 A42 V44 I135 D142 V168T38-V138 HydrophobicContact CG2-CB 4.36Å; T38-V138 HydrophobicContact CG2-CG1 3.84Å; T38-V138 HydrophobicContact CG2-CG2 4.16Å; F41-V138 WeakPolarHBondContact CA-O 3.34Å; F41-V138 PolarHBondContact N-O 2.76Å; A42-V138 WeakPolarHBondContact O-CB 3.45Å; A42-V138 VanDerWaalsContact O-CG2 3.24Å; A42-V138 WeakPolarHBondContact O-CG2 3.27Å; A42-V138 PolarHBondContact O-N 2.81Å; V44-V138 HydrophobicContact CB-CG2 4.18Å; V44-V138 HydrophobicContact CG1-CG2 3.45Å; V44-V138 VanDerWaalsContact CG1-CG2 3.45Å; I135-V138 HydrophobicContact CB-CG2 4.35Å; I135-V138 HydrophobicContact CG2-CG2 3.85Å; V138-D142 HydrophobicContact CG1-CB 4.23Å; V138-V168 HydrophobicContact CG1-CB 4.45Å; V138-V168 HydrophobicContact CG1-CG1 3.88Å; V138-V168 HydrophobicContact CG1-CG2 3.65Å
139M93.2Very high94.2Very high46 Ų4635.9 Ų35.923%0.22716%0.163CC..  trans-115.4166.4178.2-66.9173.4-176.600110.4R123 W141 D142R123-M139 VanDerWaalsContact NH2-CG 3.34Å; R123-M139 PolarHBondContact NH2-SD 2.61Å; R123-M139 VanDerWaalsContact NH2-SD 3.44Å; M139-W141 HydrophobicContact CB-CD2 4.09Å; M139-W141 HydrophobicContact CB-CE3 4.24Å; M139-W141 HydrophobicContact CB-CH2 4.21Å; M139-W141 HydrophobicContact CB-CZ2 4.03Å; M139-W141 HydrophobicContact CB-CZ3 4.29Å; M139-W141 HydrophobicContact CG-CH2 4.35Å; M139-W141 HydrophobicContact CG-CZ2 4.3Å; M139-W141 PolarHBondContact O-N 3.14Å; M139-W141 HydrophobicContact SD-CH2 3.28Å; M139-W141 WeakPolarHBondContact SD-CH2 3.41Å; M139-W141 HydrophobicContact SD-CZ2 3.3Å; M139-W141 WeakPolarHBondContact SD-CZ2 3.39Å; M139-W141 HydrophobicContact SD-CZ3 4.13Å; M139-D142 PolarHBondContact N-OD2 3.08Å; M139-D142 WeakPolarHBondContact O-CB 3.44Å; M139-D142 PolarHBondContact O-N 3.15Å
140W91.2Very high94.4Very high170 Ų17030 Ų3064%0.64413%0.132SC*.G310 helixtrans-63.8-24.5-171.563.6-87.7000114.1L40 H170L40-W140 HydrophobicContact CD2-CB 3.87Å; W140-H170 HydrophobicContact CB-CB 4.15Å
141W90.2Very high94.6Very high99 Ų9929.9 Ų29.938%0.37514%0.136SC..G310 helixtrans-84.5-5.1176.466.569.2000114.2Y65 M139 N143Y65-W141 PolarHBondContact OH-O 2.9Å; M139-W141 HydrophobicContact CB-CD2 4.09Å; M139-W141 HydrophobicContact CB-CE3 4.24Å; M139-W141 HydrophobicContact CB-CH2 4.21Å; M139-W141 HydrophobicContact CB-CZ2 4.03Å; M139-W141 HydrophobicContact CB-CZ3 4.29Å; M139-W141 HydrophobicContact CG-CH2 4.35Å; M139-W141 HydrophobicContact CG-CZ2 4.3Å; M139-W141 PolarHBondContact O-N 3.14Å; M139-W141 HydrophobicContact SD-CH2 3.28Å; M139-W141 WeakPolarHBondContact SD-CH2 3.41Å; M139-W141 HydrophobicContact SD-CZ2 3.3Å; M139-W141 WeakPolarHBondContact SD-CZ2 3.39Å; M139-W141 HydrophobicContact SD-CZ3 4.13Å; W141-N143 PolarHBondContact O-N 2.88Å
142D93.8Very high94.5Very high0 Ų030 Ų300%014%0.137CC..G310 helixtrans-79.42.2174.7-64.1-41.7000112.3R123 V138 M139 G144 Y146R123-D142 IonicContact CZ-OD1 2.65Å; R123-D142 IonicContact CZ-OD2 3.85Å; R123-D142 VanDerWaalsContact NH1-CG 3.32Å; R123-D142 IonicContact NH1-OD1 2.81Å; R123-D142 PolarHBondContact NH1-OD1 2.75Å; R123-D142 IonicContact NH1-OD2 3.84Å; R123-D142 PolarHBondContact NH1-OD2 2.87Å; R123-D142 VanDerWaalsContact NH1-OD2 3.13Å; R123-D142 IonicContact NH2-OD1 2.64Å; R123-D142 IonicContact NH2-OD2 2.68Å; R123-D142 PolarHBondContact NH2-OD2 3.05Å; V138-D142 HydrophobicContact CG1-CB 4.23Å; M139-D142 PolarHBondContact N-OD2 3.08Å; M139-D142 WeakPolarHBondContact O-CB 3.44Å; M139-D142 PolarHBondContact O-N 3.15Å; D142-G144 PolarHBondContact O-N 3.05Å; D142-Y146 WeakPolarHBondContact CB-OH 3.43Å; D142-Y146 WeakPolarHBondContact O-CE2 3.08Å; D142-Y146 PolarHBondContact O-OH 3.42Å; D142-Y146 VanDerWaalsContact O-OH 3.09Å
143N93.9Very high94.1Very high28 Ų2832.5 Ų32.515%0.1515%0.154CC..  trans-71.8105.5177-166.745.3000110.5Y65 W141 L166 I167 V168Y65-N143 PolarHBondContact OH-O 2.79Å; Y65-N143 VanDerWaalsContact OH-O 3.1Å; W141-N143 PolarHBondContact O-N 2.88Å; N143-L166 PolarHBondContact OD1-O 3.08Å; N143-I167 WeakPolarHBondContact OD1-CA 3.32Å; N143-V168 HydrophobicContact CB-CB 4.06Å; N143-V168 HydrophobicContact CB-CG2 4.12Å; N143-V168 PolarHBondContact OD1-N 2.96Å
144G94.7Very high93.4Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans179.5-171.8-177.100000115.1F68 D142 L166F68-G144 WeakPolarHBondContact CZ-O 3.08Å; D142-G144 PolarHBondContact O-N 3.05Å; G144-L166 PolarHBondContact N-O 2.85Å; G144-L166 VanDerWaalsContact N-O 3.08Å; G144-L166 PolarHBondContact O-N 2.95Å
145V95.4Very high92.8Very high0 Ų035.6 Ų35.60%019%0.185CC..EExtended strand (participates in β ladder)trans-97.7124.5174.8-168.30000109.1K66 F68 N93 F147 E163 K165K66-V145 PolarHBondContact N-O 3.12Å; K66-V145 PolarHBondContact O-N 3.32Å; F68-V145 HydrophobicContact CD1-CG2 3.6Å; F68-V145 HydrophobicContact CE1-CG2 3.56Å; N93-V145 HydrophobicContact CB-CG2 4.37Å; V145-F147 HydrophobicContact CB-CE2 3.92Å; V145-F147 HydrophobicContact CG1-CD2 4.09Å; V145-F147 HydrophobicContact CG1-CE2 3.43Å; V145-F147 VanDerWaalsContact CG1-CE2 3.43Å; V145-F147 HydrophobicContact CG1-CZ 3.88Å; V145-E163 HydrophobicContact CG1-CB 3.91Å; V145-K165 HydrophobicContact CG2-CG 4.46Å
146Y96.4Very high92Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-104.8124.1178.7-72.8-105000109.3L46 R64 Y65 V105 L133 I135 D142 E163 V164 L166L46-Y146 HydrophobicContact CD1-CD1 3.9Å; L46-Y146 HydrophobicContact CD1-CD2 3.82Å; L46-Y146 HydrophobicContact CD1-CG 3.48Å; L46-Y146 VanDerWaalsContact CD1-CG 3.48Å; R64-Y146 CarbonylContact O-C 3.53Å; R64-Y146 WeakPolarHBondContact O-CA 3.43Å; Y65-Y146 HydrophobicContact CD2-CD2 4.39Å; Y65-Y146 HydrophobicContact CD2-CE1 4.16Å; Y65-Y146 AromaticContact CD2-CE2 3.74Å; Y65-Y146 HydrophobicContact CD2-CE2 3.74Å; Y65-Y146 AromaticContact CD2-CZ 3.63Å; Y65-Y146 HydrophobicContact CE2-CE2 4.28Å; V105-Y146 HydrophobicContact CG2-CD1 4.25Å; V105-Y146 HydrophobicContact CG2-CE1 3.97Å; L133-Y146 HydrophobicContact CD2-CD1 3.61Å; L133-Y146 HydrophobicContact CD2-CE1 3.92Å; I135-Y146 HydrophobicContact CD1-CE1 4.05Å; D142-Y146 WeakPolarHBondContact CB-OH 3.43Å; D142-Y146 WeakPolarHBondContact O-CE2 3.08Å; D142-Y146 PolarHBondContact O-OH 3.42Å; D142-Y146 VanDerWaalsContact O-OH 3.09Å; Y146-E163 CarbonylContact O-C 3.54Å; Y146-E163 WeakPolarHBondContact O-CA 3.07Å; Y146-V164 PolarHBondContact N-O 3.39Å; Y146-V164 PolarHBondContact O-N 3.49Å; Y146-L166 HydrophobicContact CD2-CB 3.73Å; Y146-L166 HydrophobicContact CD2-CD2 4.41Å; Y146-L166 HydrophobicContact CE2-CB 3.6Å; Y146-L166 HydrophobicContact CE2-CD2 3.68Å; Y146-L166 HydrophobicContact CE2-CG 4.22Å
147F96Very high91.3Very high20 Ų2042.2 Ų42.29%0.08823%0.228CC..EExtended strand (participates in β ladder)trans-102119.3177.1-69.6-102.8000109.1W63 R64 K66 V145 K162 E163W63-F147 WeakPolarHBondContact CA-O 3.43Å; R64-F147 HydrophobicContact CB-CB 4.37Å; R64-F147 PolarHBondContact N-O 2.81Å; R64-F147 PolarHBondContact O-N 3.09Å; K66-F147 HydrophobicContact CB-CD2 4.42Å; K66-F147 HydrophobicContact CB-CE2 4.1Å; K66-F147 HydrophobicContact CD-CD2 3.78Å; K66-F147 HydrophobicContact CD-CE2 3.46Å; K66-F147 VanDerWaalsContact CD-CE2 3.46Å; K66-F147 HydrophobicContact CD-CZ 4.17Å; K66-F147 HydrophobicContact CG-CD2 3.75Å; K66-F147 HydrophobicContact CG-CE2 3.74Å; V145-F147 HydrophobicContact CB-CE2 3.92Å; V145-F147 HydrophobicContact CG1-CD2 4.09Å; V145-F147 HydrophobicContact CG1-CE2 3.43Å; V145-F147 VanDerWaalsContact CG1-CE2 3.43Å; V145-F147 HydrophobicContact CG1-CZ 3.88Å; F147-K162 CarbonylContact C-O 3.54Å; F147-K162 WeakPolarHBondContact CA-O 3.29Å; F147-E163 HydrophobicContact CD1-CB 3.99Å; F147-E163 HydrophobicContact CE1-CB 3.72Å; F147-E163 WeakPolarHBondContact CE1-OE2 3.49Å; F147-E163 HydrophobicContact CG-CB 4.5Å; F147-E163 HydrophobicContact CZ-CB 4Å
148C96.4Very high90.7Very high0 Ų041.2 Ų41.20%024%0.238CC..EExtended strand (participates in β ladder)trans-83.5108.5164.9-173.60000107.4V29 C48 W63 D161 K162V29-C148 HydrophobicContact CG1-CB 4.45Å; C48-C148 HydrophobicContact CB-CB 3.7Å; C48-C148 WeakPolarHBondContact CB-SG 3.43Å; C48-C148 WeakPolarHBondContact SG-CB 3.3Å; C48-C148 CovalentContact SG-SG 2.03Å; C48-C148 PolarHBondContact SG-SG 2.85Å; W63-C148 HydrophobicContact CD2-CB 4.14Å; W63-C148 HydrophobicContact CE3-CB 4.06Å; W63-C148 HydrophobicContact CH2-CB 3.72Å; W63-C148 HydrophobicContact CZ2-CB 3.76Å; W63-C148 HydrophobicContact CZ3-CB 3.84Å; C148-D161 VanDerWaalsContact O-CA 3.3Å; C148-D161 WeakPolarHBondContact O-CA 3.27Å; C148-K162 PolarHBondContact N-O 3.48Å; C148-K162 PolarHBondContact O-N 3.46Å
149A95.4Very high90.4Very high3 Ų345.7 Ų45.73%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-111.1130.817900000109.4T62 D161T62-A149 PolarHBondContact N-O 3.36Å; T62-A149 WeakPolarHBondContact O-CB 3.23Å; T62-A149 PolarHBondContact O-N 2.85Å; A149-D161 VanDerWaalsContact CB-CG 3.41Å; A149-D161 WeakPolarHBondContact CB-OD1 3.33Å; A149-D161 WeakPolarHBondContact CB-OD2 3.48Å
150V94.8Very high90.3Very high3 Ų345.7 Ų45.72%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-124.1121.6-180-173.30000108.6I27 V29 Y50 V59 V61 S160I27-V150 HydrophobicContact CD1-CB 3.87Å; I27-V150 HydrophobicContact CD1-CG1 3.81Å; I27-V150 WeakPolarHBondContact CD1-O 3.33Å; V29-V150 HydrophobicContact CG2-CB 3.89Å; V29-V150 HydrophobicContact CG2-CG2 3.64Å; Y50-V150 HydrophobicContact CD1-CG1 4.35Å; Y50-V150 HydrophobicContact CD1-CG2 4.05Å; Y50-V150 HydrophobicContact CD2-CG1 4.01Å; Y50-V150 HydrophobicContact CE2-CG1 4.33Å; Y50-V150 HydrophobicContact CG-CG1 4.03Å; Y50-V150 HydrophobicContact CG-CG2 4.12Å; V59-V150 HydrophobicContact CG1-CG1 3.36Å; V61-V150 HydrophobicContact CG2-CG1 4.4Å; V61-V150 HydrophobicContact CG2-CG2 4.32Å; V150-S160 PolarHBondContact N-O 3.11Å
151D93.3Very high90.4Very high102 Ų10240.4 Ų40.455%0.54525%0.25SS..EExtended strand (participates in β ladder)trans-110.8118.7178.3-179.513.3000108.5V59 L60V59-D151 WeakPolarHBondContact CA-O 3.41Å; L60-D151 HydrophobicContact CB-CB 4.33Å; L60-D151 PolarHBondContact N-O 2.92Å; L60-D151 PolarHBondContact O-N 3.11Å
152A91.6Very high90.6Very high1 Ų139 Ų391%0.00825%0.247CC..  trans-127.9118.2-171.800000109.8I27 A54 V59 G154 D155I27-A152 HydrophobicContact CD1-CB 3.93Å; A54-A152 HydrophobicContact CB-CB 3.93Å; V59-A152 HydrophobicContact CG2-CB 4.07Å; A152-G154 PolarHBondContact O-N 3.48Å; A152-D155 HydrophobicContact CB-CB 4.06Å; A152-D155 PolarHBondContact O-N 2.99Å; A152-D155 VanDerWaalsContact O-N 3.1Å
153P87.4Confident90.6Very high67 Ų6742.3 Ų42.344%0.43526%0.262SS..THydrogen-bonded Turntrans-66.9123.2-176.126.6-33.1000110.8A54 E58A54-P153 WeakPolarHBondContact CB-O 3.43Å; E58-P153 HydrophobicContact CB-CG 3.65Å
154G82.4Confident90.7Very high61 Ų6141 Ų4163%0.62926%0.256SS*.THydrogen-bonded Turntrans99.1-24.3-175.700000114.3A152A152-G154 PolarHBondContact O-N 3.48Å
155D82.4Confident90.7Very high8 Ų842.4 Ų42.44%0.04326%0.262CS..  trans-108.966.2-177.9-76.221.9000110.9A25 I27 T52 S53 A54 A152A25-D155 WeakPolarHBondContact CB-OD1 3.4Å; I27-D155 HydrophobicContact CB-CB 4.22Å; I27-D155 WeakPolarHBondContact CG2-O 3.39Å; T52-D155 VanDerWaalsContact CA-OD2 3.27Å; T52-D155 WeakPolarHBondContact CA-OD2 3.31Å; T52-D155 WeakPolarHBondContact CB-OD2 3.3Å; T52-D155 VanDerWaalsContact OG1-CG 3.31Å; T52-D155 PolarHBondContact OG1-OD2 3.29Å; S53-D155 PolarHBondContact N-OD2 2.79Å; S53-D155 PolarHBondContact OG-OD1 2.94Å; S53-D155 PolarHBondContact OG-OD2 3.14Å; A54-D155 PolarHBondContact N-OD2 3.01Å; A152-D155 HydrophobicContact CB-CB 4.06Å; A152-D155 PolarHBondContact O-N 2.99Å; A152-D155 VanDerWaalsContact O-N 3.1Å
156T80.1Confident90.7Very high123 Ų12342.4 Ų42.476%0.75526%0.262SS*.  trans-90.10.9-179.756.90000114.2
157T79.7Confident90.6Very high81 Ų8142.6 Ų42.650%0.49726%0.263SS..EExtended strand (participates in β ladder)trans-104.2134.7179.980.40000111.2A25 C26 I27A25-T157 PolarHBondContact O-OG1 3.25Å; C26-T157 CarbonylContact C-O 3.46Å; C26-T157 WeakPolarHBondContact CA-O 3.43Å; I27-T157 PolarHBondContact N-O 3.47Å
158G82.7Confident90.5Very high54 Ų5441.8 Ų41.856%0.55726%0.259SS*.EExtended strand (participates in β ladder)trans114.8-167.517900000114.2I27 S160I27-G158 CarbonylContact O-C 3.54Å; I27-G158 WeakPolarHBondContact O-CA 3.28Å; G158-S160 PolarHBondContact O-N 3.11Å
159D87.3Confident90.3Very high94 Ų9445.4 Ų45.450%0.50327%0.274SS..EExtended strand (participates in β ladder)trans-88.889.6-176.8-77.4-16.7000110.1I27 V29 D161 K162I27-D159 PolarHBondContact O-N 2.89Å; V29-D159 PolarHBondContact N-O 3.02Å; D159-D161 VanDerWaalsContact C-N 3.35Å; D159-K162 VanDerWaalsContact CG-NZ 3.31Å; D159-K162 IonicContact OD2-NZ 2.63Å; D159-K162 PolarHBondContact OD2-NZ 3.47Å
160S90.8Very high90Very high46 Ų4648.6 Ų48.632%0.32229%0.288SS..  trans-73.4-2217969.70000114.6V29 V150 G158V29-S160 WeakPolarHBondContact CG2-O 3.24Å; V150-S160 PolarHBondContact N-O 3.11Å; G158-S160 PolarHBondContact O-N 3.11Å
161D93.5Very high89.8Confident58 Ų5854.6 Ų54.631%0.3131%0.31SS..EExtended strand (participates in β ladder)trans-130.7135.7-170.4-73.242.9000110.5R64 C148 A149 D159R64-D161 IonicContact NH1-OD2 3.03Å; R64-D161 PolarHBondContact NH1-OD2 2.91Å; C148-D161 VanDerWaalsContact O-CA 3.3Å; C148-D161 WeakPolarHBondContact O-CA 3.27Å; A149-D161 VanDerWaalsContact CB-CG 3.41Å; A149-D161 WeakPolarHBondContact CB-OD1 3.33Å; A149-D161 WeakPolarHBondContact CB-OD2 3.48Å; D159-D161 VanDerWaalsContact C-N 3.35Å
162K94.6Very high89.6Confident69 Ų6952.3 Ų52.330%0.330%0.298SS..EExtended strand (participates in β ladder)trans-134.6150.7170.8-67.4-63.6176.3-164.50111.8V29 V31 F147 C148 D159V29-K162 HydrophobicContact CB-CG 3.9Å; V29-K162 HydrophobicContact CG1-CB 3.89Å; V29-K162 HydrophobicContact CG1-CG 3.74Å; V29-K162 WeakPolarHBondContact O-CE 3.22Å; V29-K162 WeakPolarHBondContact O-CG 3.19Å; V31-K162 HydrophobicContact CB-CB 4.39Å; V31-K162 HydrophobicContact CG2-CB 3.54Å; V31-K162 HydrophobicContact CG2-CG 4.34Å; F147-K162 CarbonylContact C-O 3.54Å; F147-K162 WeakPolarHBondContact CA-O 3.29Å; C148-K162 PolarHBondContact N-O 3.48Å; C148-K162 PolarHBondContact O-N 3.46Å; D159-K162 VanDerWaalsContact CG-NZ 3.31Å; D159-K162 IonicContact OD2-NZ 2.63Å; D159-K162 PolarHBondContact OD2-NZ 3.47Å
163E94.1Very high89.5Confident70 Ų7053.2 Ų53.233%0.32730%0.303SS..EExtended strand (participates in β ladder)trans-106.7144.7-174.359-169.3-126.900114N93 V145 Y146 F147N93-E163 PolarHBondContact ND2-OE1 2.71Å; N93-E163 PolarHBondContact ND2-OE2 2.84Å; V145-E163 HydrophobicContact CG1-CB 3.91Å; Y146-E163 CarbonylContact O-C 3.54Å; Y146-E163 WeakPolarHBondContact O-CA 3.07Å; F147-E163 HydrophobicContact CD1-CB 3.99Å; F147-E163 HydrophobicContact CE1-CB 3.72Å; F147-E163 WeakPolarHBondContact CE1-OE2 3.49Å; F147-E163 HydrophobicContact CG-CB 4.5Å; F147-E163 HydrophobicContact CZ-CB 4Å
164V95.7Very high89.7Confident1 Ų153.9 Ų53.91%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-134.1118.4177.1-176.40000108.7V31 L46 W63 Y146V31-V164 HydrophobicContact CG1-CG2 3.63Å; V31-V164 HydrophobicContact CG2-CG2 4.13Å; L46-V164 HydrophobicContact CB-CG1 4.2Å; L46-V164 HydrophobicContact CD1-CB 4.37Å; L46-V164 HydrophobicContact CD1-CG1 4.1Å; L46-V164 HydrophobicContact CD2-CG1 3.92Å; L46-V164 HydrophobicContact CG-CG1 4.3Å; W63-V164 HydrophobicContact CH2-CG2 4.07Å; W63-V164 HydrophobicContact CZ3-CG2 4.21Å; Y146-V164 PolarHBondContact N-O 3.39Å; Y146-V164 PolarHBondContact O-N 3.49Å
165K95.1Very high90.2Very high30 Ų3055 Ų5513%0.1330%0.297CS..EExtended strand (participates in β ladder)trans-82.2118.4175.6-57.7-177.8-174.3-175.90109.9T34 Q35 R36 F68 D90 S92 V145T34-K165 PolarHBondContact O-N 3.39Å; Q35-K165 CarbonylContact C-O 3.51Å; Q35-K165 WeakPolarHBondContact CA-O 3.25Å; Q35-K165 HydrophobicContact CB-CB 4.37Å; Q35-K165 HydrophobicContact CG-CB 4.3Å; R36-K165 PolarHBondContact N-O 3.42Å; F68-K165 HydrophobicContact CE1-CB 4.2Å; F68-K165 HydrophobicContact CE1-CD 4.5Å; F68-K165 HydrophobicContact CE1-CG 4.3Å; F68-K165 HydrophobicContact CZ-CB 4.33Å; D90-K165 IonicContact OD1-NZ 2.85Å; D90-K165 PolarHBondContact OD1-NZ 3.05Å; D90-K165 WeakPolarHBondContact OD2-CE 3.42Å; D90-K165 IonicContact OD2-NZ 2.76Å; D90-K165 PolarHBondContact OD2-NZ 2.68Å; S92-K165 WeakPolarHBondContact OG-CE 3.46Å; S92-K165 PolarHBondContact OG-NZ 2.69Å; V145-K165 HydrophobicContact CG2-CG 4.46Å
166L95.4Very high90.6Very high0 Ų061 Ų610%032%0.323CS..EExtended strand (participates in β ladder)trans-100.8110.2170.6-179.857.4000109.5R36 T38 V44 L46 I135 N143 G144 Y146 V168R36-L166 HydrophobicContact CB-CD1 4.42Å; R36-L166 WeakPolarHBondContact O-CA 3.34Å; T38-L166 HydrophobicContact CG2-CD1 3.79Å; V44-L166 HydrophobicContact CG1-CD1 4.25Å; V44-L166 HydrophobicContact CG1-CD2 4.13Å; V44-L166 HydrophobicContact CG2-CD1 4.06Å; L46-L166 HydrophobicContact CD2-CD1 4.3Å; I135-L166 HydrophobicContact CD1-CD2 4.19Å; N143-L166 PolarHBondContact OD1-O 3.08Å; G144-L166 PolarHBondContact N-O 2.85Å; G144-L166 VanDerWaalsContact N-O 3.08Å; G144-L166 PolarHBondContact O-N 2.95Å; Y146-L166 HydrophobicContact CD2-CB 3.73Å; Y146-L166 HydrophobicContact CD2-CD2 4.41Å; Y146-L166 HydrophobicContact CE2-CB 3.6Å; Y146-L166 HydrophobicContact CE2-CD2 3.68Å; Y146-L166 HydrophobicContact CE2-CG 4.22Å; L166-V168 HydrophobicContact CG-CG2 4.21Å
167I94.3Very high91.2Very high3 Ų360.5 Ų60.52%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-98.7120.3178.1-60.9-179.1000109.1Q35 R36 S37 T38 F68 P72 V73 N143 Y169Q35-I167 HydrophobicContact CG-CD1 4.21Å; Q35-I167 VanDerWaalsContact NE2-CD1 3.34Å; R36-I167 PolarHBondContact O-N 3.45Å; S37-I167 CarbonylContact C-O 3.58Å; S37-I167 WeakPolarHBondContact CA-O 3.27Å; T38-I167 PolarHBondContact N-O 3.31Å; F68-I167 HydrophobicContact CZ-CG1 4.21Å; P72-I167 HydrophobicContact CB-CD1 4.37Å; P72-I167 HydrophobicContact CG-CD1 3.91Å; P72-I167 HydrophobicContact CG-CG1 4.13Å; V73-I167 HydrophobicContact CG2-CD1 4.33Å; V73-I167 HydrophobicContact CG2-CG2 3.41Å; V73-I167 VanDerWaalsContact CG2-CG2 3.41Å; N143-I167 WeakPolarHBondContact OD1-CA 3.32Å; I167-Y169 HydrophobicContact CG2-CD1 4.24Å; I167-Y169 HydrophobicContact CG2-CE1 3.83Å
168V94.6Very high91.9Very high4 Ų460.7 Ų60.72%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-108.7113.4-179.5-174.90000109.9T38 L40 V138 N143 L166 H170T38-V168 HydrophobicContact CG2-CG2 4.13Å; L40-V168 HydrophobicContact CD2-CG1 3.67Å; L40-V168 HydrophobicContact CG-CG1 4.39Å; V138-V168 HydrophobicContact CG1-CB 4.45Å; V138-V168 HydrophobicContact CG1-CG1 3.88Å; V138-V168 HydrophobicContact CG1-CG2 3.65Å; N143-V168 HydrophobicContact CB-CB 4.06Å; N143-V168 HydrophobicContact CB-CG2 4.12Å; N143-V168 PolarHBondContact OD1-N 2.96Å; L166-V168 HydrophobicContact CG-CG2 4.21Å; V168-H170 PolarHBondContact O-CD2 3.4Å; V168-H170 PolarHBondContact O-N 3.28Å
169Y92Very high92.6Very high76 Ų7661.8 Ų61.830%0.29831%0.307SS..  trans-79.158.6-176.5-66.4-57.2000113.6S37 T38 V73 I167 W171 L172 T173S37-Y169 VanDerWaalsContact CB-CE2 3.49Å; S37-Y169 PolarHBondContact OG-OH 3.13Å; T38-Y169 PolarHBondContact O-N 3.23Å; V73-Y169 HydrophobicContact CG1-CE1 4.23Å; V73-Y169 HydrophobicContact CG2-CE1 3.91Å; I167-Y169 HydrophobicContact CG2-CD1 4.24Å; I167-Y169 HydrophobicContact CG2-CE1 3.83Å; Y169-W171 PolarHBondContact O-N 3.33Å; Y169-L172 HydrophobicContact CG-CD2 4.42Å; Y169-L172 PolarHBondContact O-N 2.87Å; Y169-T173 PolarHBondContact O-N 3.48Å; Y169-T173 PolarHBondContact O-OG1 3.49Å; Y169-T173 VanDerWaalsContact O-OG1 3.05Å
170H89.1Confident93Very high70 Ų7059 Ų5932%0.32430%0.301SS..Hα-helixtrans-59.2-48.3-172.966.391.3000113.8L40 W140 V168 L172 T173 V174L40-H170 HydrophobicContact CD1-CB 4.02Å; L40-H170 HydrophobicContact CD2-CB 4.06Å; L40-H170 HydrophobicContact CG-CB 4.16Å; W140-H170 HydrophobicContact CB-CB 4.15Å; V168-H170 PolarHBondContact O-CD2 3.4Å; V168-H170 PolarHBondContact O-N 3.28Å; H170-L172 PolarHBondContact O-N 2.96Å; H170-T173 WeakPolarHBondContact CA-OG1 3.48Å; H170-T173 PolarHBondContact O-N 2.82Å; H170-T173 PolarHBondContact O-OG1 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.46Å; H170-V174 PolarHBondContact O-N 3.3Å; H170-V174 VanDerWaalsContact O-N 3.12Å
171W89.4Confident93.2Very high128 Ų12859.5 Ų59.549%0.48531%0.308SS..Hα-helixtrans-66.2-38.8-179.163.4-95.2000112.3Y169 V174 L175Y169-W171 PolarHBondContact O-N 3.33Å; W171-V174 PolarHBondContact O-N 2.95Å; W171-L175 WeakPolarHBondContact O-CB 3.2Å; W171-L175 PolarHBondContact O-N 2.86Å
172L90.1Very high93.3Very high54 Ų5461.7 Ų61.728%0.28332%0.32SS..Hα-helixtrans-67.1-42.1179.1-175108.8000110.6Y169 H170 L175 F176Y169-L172 HydrophobicContact CG-CD2 4.42Å; Y169-L172 PolarHBondContact O-N 2.87Å; H170-L172 PolarHBondContact O-N 2.96Å; L172-L175 WeakPolarHBondContact O-CB 3.14Å; L172-L175 PolarHBondContact O-N 3.14Å; L172-F176 HydrophobicContact CD1-CE2 4.17Å; L172-F176 HydrophobicContact CD2-CD2 4.01Å; L172-F176 HydrophobicContact CD2-CE2 3.76Å; L172-F176 HydrophobicContact CG-CD2 3.86Å; L172-F176 HydrophobicContact CG-CE2 3.71Å; L172-F176 VanDerWaalsContact O-CD2 3.27Å; L172-F176 WeakPolarHBondContact O-CD2 3.48Å; L172-F176 PolarHBondContact O-N 2.81Å
173T88.4Confident93.2Very high20 Ų2063.2 Ų63.212%0.12333%0.33CS..Hα-helixtrans-63.9-41.1174.744.70000112.6A39 L40 Y169 H170 L175 F176 I177A39-T173 HydrophobicContact CB-CG2 3.63Å; L40-T173 WeakPolarHBondContact CD1-OG1 3.37Å; L40-T173 WeakPolarHBondContact CG-OG1 3.36Å; Y169-T173 PolarHBondContact O-N 3.48Å; Y169-T173 PolarHBondContact O-OG1 3.49Å; Y169-T173 VanDerWaalsContact O-OG1 3.05Å; H170-T173 WeakPolarHBondContact CA-OG1 3.48Å; H170-T173 PolarHBondContact O-N 2.82Å; H170-T173 PolarHBondContact O-OG1 3.49Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 2.89Å; T173-F176 PolarHBondContact O-N 2.7Å; T173-I177 WeakPolarHBondContact O-CD1 3.27Å; T173-I177 VanDerWaalsContact O-CG1 3.27Å; T173-I177 WeakPolarHBondContact O-CG1 3.25Å; T173-I177 PolarHBondContact O-N 3.48Å
174V91.2Very high93.1Very high81 Ų8165 Ų6549%0.49134%0.342SS..Hα-helixtrans-62.1-43.7174.1172.90000110.7H170 W171 F176 I177 V178H170-V174 WeakPolarHBondContact O-CG2 3.46Å; H170-V174 PolarHBondContact O-N 3.3Å; H170-V174 VanDerWaalsContact O-N 3.12Å; W171-V174 PolarHBondContact O-N 2.95Å; V174-F176 PolarHBondContact O-N 3.48Å; V174-I177 PolarHBondContact O-N 3.36Å; V174-V178 HydrophobicContact CG1-CG2 4.49Å; V174-V178 WeakPolarHBondContact O-CG2 3.41Å; V174-V178 PolarHBondContact O-N 3.22Å
175L92.9Very high92.9Very high85 Ų8570.1 Ų70.145%0.44537%0.368SS..Hα-helixtrans-59.5-45.9175.6-179.764000112W171 L172 T173 I177 V178 I179W171-L175 WeakPolarHBondContact O-CB 3.2Å; W171-L175 PolarHBondContact O-N 2.86Å; L172-L175 WeakPolarHBondContact O-CB 3.14Å; L172-L175 PolarHBondContact O-N 3.14Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 2.89Å; L175-I177 PolarHBondContact O-N 2.99Å; L175-V178 PolarHBondContact O-N 3.21Å; L175-I179 HydrophobicContact CD1-CD1 3.84Å; L175-I179 HydrophobicContact CD1-CG1 4.23Å; L175-I179 HydrophobicContact CG-CD1 3.82Å; L175-I179 WeakPolarHBondContact O-CB 3.49Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 3.37Å
176F91.7Very high92.6Very high135 Ų13572.5 Ų72.559%0.59238%0.382SS*.Hα-helixtrans-64.1-37176.7-85.6-62.9000113L172 T173 V174 G180L172-F176 HydrophobicContact CD1-CE2 4.17Å; L172-F176 HydrophobicContact CD2-CD2 4.01Å; L172-F176 HydrophobicContact CD2-CE2 3.76Å; L172-F176 HydrophobicContact CG-CD2 3.86Å; L172-F176 HydrophobicContact CG-CE2 3.71Å; L172-F176 VanDerWaalsContact O-CD2 3.27Å; L172-F176 WeakPolarHBondContact O-CD2 3.48Å; L172-F176 PolarHBondContact O-N 2.81Å; T173-F176 PolarHBondContact O-N 2.7Å; V174-F176 PolarHBondContact O-N 3.48Å; F176-G180 PolarHBondContact O-N 3.15Å
177I92.5Very high92.1Very high112 Ų11278 Ų7857%0.57441%0.411SS*.Hα-helixtrans-65.4-44.1174.6-68.5163000110.6T173 V174 L175 G180 A181T173-I177 WeakPolarHBondContact O-CD1 3.27Å; T173-I177 VanDerWaalsContact O-CG1 3.27Å; T173-I177 WeakPolarHBondContact O-CG1 3.25Å; T173-I177 PolarHBondContact O-N 3.48Å; V174-I177 PolarHBondContact O-N 3.36Å; L175-I177 PolarHBondContact O-N 2.99Å; I177-G180 PolarHBondContact O-N 3.47Å; I177-A181 WeakPolarHBondContact O-CB 3.23Å; I177-A181 PolarHBondContact O-N 3.39Å
178V95.6Very high91.5Very high85 Ų8581.9 Ų81.952%0.51543%0.431SS..Hα-helixtrans-65.3-44.6177.9172.50000111.5V174 L175 A181 L182V174-V178 HydrophobicContact CG1-CG2 4.49Å; V174-V178 WeakPolarHBondContact O-CG2 3.41Å; V174-V178 PolarHBondContact O-N 3.22Å; L175-V178 PolarHBondContact O-N 3.21Å; V178-A181 PolarHBondContact O-N 3.36Å; V178-L182 WeakPolarHBondContact O-CB 3.3Å; V178-L182 PolarHBondContact O-N 3.09Å
179I96Very high90.7Very high76 Ų7684.7 Ų84.739%0.3945%0.45SS..Hα-helixtrans-64.6-43175.9-68.2171.2000110.5L175 A181 L182 L183L175-I179 HydrophobicContact CD1-CD1 3.84Å; L175-I179 HydrophobicContact CD1-CG1 4.23Å; L175-I179 HydrophobicContact CG-CD1 3.82Å; L175-I179 WeakPolarHBondContact O-CB 3.49Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 3.37Å; I179-A181 PolarHBondContact O-N 3.36Å; I179-L182 PolarHBondContact O-N 2.94Å; I179-L183 HydrophobicContact CG2-CD1 3.84Å; I179-L183 HydrophobicContact CG2-CG 4.22Å; I179-L183 WeakPolarHBondContact O-CB 3.37Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.38Å; I179-L183 PolarHBondContact O-N 3.31Å
180G95.8Very high90Very high36 Ų3685.1 Ų85.137%0.37146%0.456SS..Hα-helixtrans-60.6-44.3176.300000112.5F176 I177 L183 L184F176-G180 PolarHBondContact O-N 3.15Å; I177-G180 PolarHBondContact O-N 3.47Å; G180-L183 PolarHBondContact O-N 2.84Å; G180-L184 VanDerWaalsContact O-CB 3.23Å; G180-L184 WeakPolarHBondContact O-CB 3.3Å; G180-L184 PolarHBondContact O-N 2.86Å
181A95.4Very high88.9Confident57 Ų5783.4 Ų83.447%0.47145%0.452SS..Hα-helixtrans-64.9-39.8174.900000112.4I177 V178 I179 L184 L185I177-A181 WeakPolarHBondContact O-CB 3.23Å; I177-A181 PolarHBondContact O-N 3.39Å; V178-A181 PolarHBondContact O-N 3.36Å; I179-A181 PolarHBondContact O-N 3.36Å; A181-L184 PolarHBondContact O-N 2.83Å; A181-L185 VanDerWaalsContact O-CB 3.3Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 3.48Å
182L95.6Very high87.7Confident104 Ų10480.5 Ų80.555%0.54545%0.45SS..Hα-helixtrans-65.3-45.7175.3-170.4162.3000111.2V178 I179 L184 L185 L186V178-L182 WeakPolarHBondContact O-CB 3.3Å; V178-L182 PolarHBondContact O-N 3.09Å; I179-L182 PolarHBondContact O-N 2.94Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L182-L185 PolarHBondContact O-N 3.45Å; L182-L186 HydrophobicContact CD2-CD1 4.44Å; L182-L186 VanDerWaalsContact O-CB 3.26Å; L182-L186 WeakPolarHBondContact O-CB 3.32Å; L182-L186 PolarHBondContact O-N 2.91Å
183L93.3Very high86Confident101 Ų10181.4 Ų81.453%0.52946%0.46SS..Hα-helixtrans-64.9-37.8176.9-71.7174.9000112.1I179 G180 L186 L187I179-L183 HydrophobicContact CG2-CD1 3.84Å; I179-L183 HydrophobicContact CG2-CG 4.22Å; I179-L183 WeakPolarHBondContact O-CB 3.37Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.38Å; I179-L183 PolarHBondContact O-N 3.31Å; G180-L183 PolarHBondContact O-N 2.84Å; L183-L186 PolarHBondContact O-N 3.28Å; L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 PolarHBondContact O-N 3.5Å
184L91.9Very high84.2Confident108 Ų10883.1 Ų83.157%0.56547%0.467SS*.Hα-helixtrans-65.9-44.8173.8-173.6157.6000110.8G180 A181 L182 L186 L187 I188G180-L184 VanDerWaalsContact O-CB 3.23Å; G180-L184 WeakPolarHBondContact O-CB 3.3Å; G180-L184 PolarHBondContact O-N 2.86Å; A181-L184 PolarHBondContact O-N 2.83Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.31Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-I188 HydrophobicContact CD2-CD1 3.49Å; L184-I188 VanDerWaalsContact CD2-CD1 3.49Å; L184-I188 HydrophobicContact CD2-CG1 4.14Å; L184-I188 WeakPolarHBondContact O-CB 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 2.87Å
185L90.9Very high82.2Confident108 Ų10882 Ų8257%0.56546%0.462SS*.Hα-helixtrans-61.5-42.8174-175.6154.4000111.1A181 L182 I188 C189A181-L185 VanDerWaalsContact O-CB 3.3Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 3.45Å; L185-I188 PolarHBondContact O-N 3.27Å; L185-C189 WeakPolarHBondContact O-CB 3.43Å; L185-C189 PolarHBondContact O-N 2.81Å; L185-C189 PolarHBondContact O-SG 2.83Å
186L87.8Confident80.2Confident80 Ų8081.2 Ų81.242%0.41946%0.463SS..Hα-helixtrans-62.2-44.9176.3-168.3168000110.6L182 L183 L184 C189 I190L182-L186 HydrophobicContact CD2-CD1 4.44Å; L182-L186 VanDerWaalsContact O-CB 3.26Å; L182-L186 WeakPolarHBondContact O-CB 3.32Å; L182-L186 PolarHBondContact O-N 2.91Å; L183-L186 PolarHBondContact O-N 3.28Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.31Å; L186-C189 PolarHBondContact O-N 3.2Å; L186-I190 HydrophobicContact CD2-CD1 3.42Å; L186-I190 VanDerWaalsContact CD2-CD1 3.42Å; L186-I190 HydrophobicContact CD2-CG1 4.01Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.43Å
187L84.9Confident78.4Confident114 Ų11479.7 Ų79.760%0.59747%0.467SS*.Hα-helixtrans-62.3-45.3175.4-170161.8000111.2L183 L184 I190 C191L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 PolarHBondContact O-N 3.5Å; L184-L187 PolarHBondContact O-N 3.49Å; L187-I190 PolarHBondContact O-N 2.89Å; L187-C191 WeakPolarHBondContact O-CB 3.29Å; L187-C191 PolarHBondContact O-N 3.45Å
188I83.5Confident76.2Confident86 Ų8682.4 Ų82.444%0.44148%0.477SS..Hα-helixtrans-61.1-46.1173.5-71.5-178.7000110.5L184 L185 I190 C191 C192L184-I188 HydrophobicContact CD2-CD1 3.49Å; L184-I188 VanDerWaalsContact CD2-CD1 3.49Å; L184-I188 HydrophobicContact CD2-CG1 4.14Å; L184-I188 WeakPolarHBondContact O-CB 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 2.87Å; L185-I188 PolarHBondContact O-N 3.27Å; I188-I190 PolarHBondContact O-N 2.76Å; I188-C191 PolarHBondContact O-N 3.29Å; I188-C192 VanDerWaalsContact O-CB 3.29Å; I188-C192 WeakPolarHBondContact O-CB 3.4Å; I188-C192 PolarHBondContact O-N 2.75Å; I188-C192 PolarHBondContact O-SG 2.82Å
189C77.4Confident74Confident62 Ų6284.5 Ų84.542%0.41949%0.49SS..Hα-helixtrans-60.8-43.7177.5-760000111.8L185 L186 C193L185-C189 WeakPolarHBondContact O-CB 3.43Å; L185-C189 PolarHBondContact O-N 2.81Å; L185-C189 PolarHBondContact O-SG 2.83Å; L186-C189 PolarHBondContact O-N 3.2Å; C189-C193 WeakPolarHBondContact O-CB 3.26Å; C189-C193 PolarHBondContact O-N 2.79Å; C189-C193 PolarHBondContact O-SG 3.43Å
190I77.4Confident71.8Confident86 Ų8683.9 Ų83.944%0.44149%0.491SS..Hα-helixtrans-62.9-46.6173.6-71.8-178.2000110.4L186 L187 I188 C193 Q194L186-I190 HydrophobicContact CD2-CD1 3.42Å; L186-I190 VanDerWaalsContact CD2-CD1 3.42Å; L186-I190 HydrophobicContact CD2-CG1 4.01Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.43Å; L187-I190 PolarHBondContact O-N 2.89Å; I188-I190 PolarHBondContact O-N 2.76Å; I190-C193 PolarHBondContact O-N 3.38Å; I190-Q194 HydrophobicContact CG2-CG 4.47Å; I190-Q194 VanDerWaalsContact O-CB 3.28Å; I190-Q194 WeakPolarHBondContact O-CB 3.17Å; I190-Q194 WeakPolarHBondContact O-CG 3.47Å; I190-Q194 PolarHBondContact O-N 3.29Å
191C64.4Low69.6Low33 Ų3386.4 Ų86.422%0.22350%0.502CS..Hα-helixtrans-61.1-47.5179.8-173.90000112.1L187 I188 Q194 C195 C208L187-C191 WeakPolarHBondContact O-CB 3.29Å; L187-C191 PolarHBondContact O-N 3.45Å; I188-C191 PolarHBondContact O-N 3.29Å; C191-Q194 CarbonylContact O-C 3.48Å; C191-Q194 PolarHBondContact O-N 2.93Å; C191-C195 WeakPolarHBondContact O-CB 3.11Å; C191-C195 PolarHBondContact O-N 3.24Å; C191-C195 PolarHBondContact O-SG 2.69Å; C191-C208 VanDerWaalsContact SG-SG 3.66Å
192C65.1Low67.6Low67 Ų6785.3 Ų85.345%0.45349%0.491SS..Hα-helixtrans-67.4-43.7177.5-67.60000112.3I188 Q194 C195 C196I188-C192 VanDerWaalsContact O-CB 3.29Å; I188-C192 WeakPolarHBondContact O-CB 3.4Å; I188-C192 PolarHBondContact O-N 2.75Å; I188-C192 PolarHBondContact O-SG 2.82Å; C192-Q194 PolarHBondContact O-N 3.34Å; C192-C195 PolarHBondContact O-N 2.84Å; C192-C196 PolarHBondContact O-N 3.16Å; C192-C196 VanDerWaalsContact O-N 3.09Å
193C55.1Low65.2Low74 Ų7491.7 Ų91.750%0.551%0.509SS..Hα-helixtrans-62.4-24.5172.9-720000112.4C189 I190 C200C189-C193 WeakPolarHBondContact O-CB 3.26Å; C189-C193 PolarHBondContact O-N 2.79Å; C189-C193 PolarHBondContact O-SG 3.43Å; I190-C193 PolarHBondContact O-N 3.38Å; C193-C200 WeakPolarHBondContact O-CB 3.48Å
194Q50.4Low63.1Low55 Ų5591.9 Ų91.926%0.25752%0.515SS..THydrogen-bonded Turntrans-92.1-5.8175.1-68.4-178.36.700114.3I190 C191 C192 C202 C206I190-Q194 HydrophobicContact CG2-CG 4.47Å; I190-Q194 VanDerWaalsContact O-CB 3.28Å; I190-Q194 WeakPolarHBondContact O-CB 3.17Å; I190-Q194 WeakPolarHBondContact O-CG 3.47Å; I190-Q194 PolarHBondContact O-N 3.29Å; C191-Q194 CarbonylContact O-C 3.48Å; C191-Q194 PolarHBondContact O-N 2.93Å; C192-Q194 PolarHBondContact O-N 3.34Å; Q194-C202 VanDerWaalsContact CA-SG 3.5Å; Q194-C202 WeakPolarHBondContact CB-SG 3.28Å; Q194-C202 VanDerWaalsContact CG-SG 3.54Å; Q194-C202 PolarHBondContact O-SG 3.31Å; Q194-C206 PolarHBondContact OE1-SG 2.97Å
195C48.1Very low60.9Low58 Ų5898 Ų9839%0.39253%0.53SS..THydrogen-bonded Turntrans-120.74.2-179.1-62.60000114.5C191 C192 P197C191-C195 WeakPolarHBondContact O-CB 3.11Å; C191-C195 PolarHBondContact O-N 3.24Å; C191-C195 PolarHBondContact O-SG 2.69Å; C192-C195 PolarHBondContact O-N 2.84Å; C195-P197 WeakPolarHBondContact O-CD 3.14Å
196C50.8Low59.1Low69 Ų6994.3 Ų94.347%0.46651%0.513SS..  trans-73.5119.8176.8-91.50000112.1C192 Q198C192-C196 PolarHBondContact O-N 3.16Å; C192-C196 VanDerWaalsContact O-N 3.09Å; C196-Q198 PolarHBondContact O-N 3.12Å
197P55.5Low57.6Low103 Ų10396.5 Ų96.567%0.66953%0.532SS*.THydrogen-bonded Turntrans-79.519.9-164.732.8-38.6000115.9C195C195-P197 WeakPolarHBondContact O-CD 3.14Å
198Q45.5Very low55.9Low168 Ų16894.2 Ų94.279%0.78553%0.525SS*.THydrogen-bonded Turntrans-134-41.6-174-63.1-63.9-31.200116.1C196C196-Q198 PolarHBondContact O-N 3.12Å
199V48.3Very low54.3Low130 Ų13093 Ų9379%0.78852%0.523SS*.THydrogen-bonded Turntrans-147.931.1-169.4-1470000116.8
200C50.1Low53Low63 Ų6395.7 Ų95.743%0.42654%0.54SS..  trans-135.3109.4174.5-78.20000113.3C193C193-C200 WeakPolarHBondContact O-CB 3.48Å
201C49.4Very low51.6Low88 Ų8899.6 Ų99.660%0.59556%0.556SS**  trans-81.5123.3-179.7-60.10000112P216C201-P216 WeakPolarHBondContact SG-CD 3.49Å
202C54.5Low50.8Low35 Ų35106.1 Ų106.124%0.23658%0.581CS.*  trans-88.5114.2172.6-57.60000111.1Q194 V204Q194-C202 VanDerWaalsContact CA-SG 3.5Å; Q194-C202 WeakPolarHBondContact CB-SG 3.28Å; Q194-C202 VanDerWaalsContact CG-SG 3.54Å; Q194-C202 PolarHBondContact O-SG 3.31Å; C202-V204 VanDerWaalsContact C-N 3.33Å
203Y45.9Very low50.2Low237 Ų237107 Ų10793%0.92959%0.587SS**  trans-89.33.3174.1-145.3-95.2000113.3
204V47.6Very low50Low106 Ų106106.9 Ų106.964%0.64259%0.586SS**SBendtrans-133.3138.7-177.9-175.60000109C202 C206C202-V204 VanDerWaalsContact C-N 3.33Å; V204-C206 PolarHBondContact O-N 3.09Å
205R46.3Very low49.9Very low235 Ų235107.9 Ų107.989%0.88760%0.599SS**  trans-68125.9175.2-74.5178.8172.3143.8-3.1109.9
206C53.6Low50.2Low31 Ų31107.8 Ų107.821%0.20960%0.597CS.*  trans-109.7138.2-178.6-177.10000111.2Q194 V204 C208 C209Q194-C206 PolarHBondContact OE1-SG 2.97Å; V204-C206 PolarHBondContact O-N 3.09Å; C206-C208 PolarHBondContact O-N 3.09Å; C206-C208 VanDerWaalsContact O-N 3.12Å; C206-C209 PolarHBondContact O-N 3.06Å
207P55.7Low50.4Low127 Ų127111 Ų11183%0.82561%0.605SS**THydrogen-bonded Turntrans-61.4-16.1176.124.2-34.5000114.4
208C48.2Very low50.4Low66 Ų66116.1 Ų116.145%0.44661%0.611SS.*THydrogen-bonded Turntrans-82.8-12179.3-58.90000114.6C191 C206C191-C208 VanDerWaalsContact SG-SG 3.66Å; C206-C208 PolarHBondContact O-N 3.09Å; C206-C208 VanDerWaalsContact O-N 3.12Å
209C50Low51.1Low60 Ų60110.3 Ų110.341%0.40559%0.592SS.*  trans-131.980-177.8-97.90000111.8C206 Q211C206-C209 PolarHBondContact O-N 3.06Å; C209-Q211 VanDerWaalsContact C-N 3.31Å; C209-Q211 PolarHBondContact O-N 3.23Å
210P51.3Low51.7Low118 Ų118107.8 Ų107.877%0.76658%0.577SS**SBendtrans-76.7-5.5-173.530-36.3000115.6
211Q47.9Very low52.4Low168 Ų168108.9 Ų108.979%0.78558%0.576SS**SBendtrans-119.6-41.3-169.6-85.4-72.4-60.400116.5C209C209-Q211 VanDerWaalsContact C-N 3.31Å; C209-Q211 PolarHBondContact O-N 3.23Å
212K47.5Very low53.1Low170 Ų170111 Ų11174%0.73958%0.578SS**  trans-145.2119.7-179.9-64.3-173-178.3-179.60111.7C214K212-C214 PolarHBondContact O-N 3.01Å
213C52.1Low53.6Low85 Ų85116 Ų11657%0.57460%0.597SS**  trans-62.8126.5162.9-59.90000108.2C215C213-C215 PolarHBondContact O-N 3.47Å
214C50.7Low54.9Low72 Ų72112.7 Ų112.749%0.48658%0.583SS.*  trans-72.966.4166.8-75.30000110.2K212K212-C214 PolarHBondContact O-N 3.01Å
215C49.2Very low55.8Low77 Ų77113 Ų11352%0.5258%0.579SS.*  trans-77.2125.6158.2-156.10000106.2C213 E217C213-C215 PolarHBondContact O-N 3.47Å; C215-E217 PolarHBondContact O-N 3.47Å
216P53.3Low57Low56 Ų56107.7 Ų107.736%0.36457%0.566SS.*  trans-6789.8172.826.8-32.8000108.3C201 R218 A219 V220C201-P216 WeakPolarHBondContact SG-CD 3.49Å; P216-R218 PolarHBondContact O-N 3.08Å; P216-R218 VanDerWaalsContact O-N 3.09Å; P216-A219 HydrophobicContact CB-CB 3.98Å; P216-A219 HydrophobicContact CG-CB 3.94Å; P216-A219 PolarHBondContact O-N 3.19Å; P216-V220 PolarHBondContact O-N 2.95Å
217E55.1Low58.2Low135 Ų135113.2 Ų113.263%0.63159%0.586SS**Hα-helixtrans-50.9-36177.9-177.6174.7-166.500110.5C215 M221C215-E217 PolarHBondContact O-N 3.47Å; E217-M221 HydrophobicContact CG-CE 4.23Å; E217-M221 HydrophobicContact CG-CG 4.36Å; E217-M221 WeakPolarHBondContact O-CA 3.41Å; E217-M221 WeakPolarHBondContact O-CB 3.33Å; E217-M221 VanDerWaalsContact O-CG 3.31Å; E217-M221 WeakPolarHBondContact O-CG 3.13Å; E217-M221 PolarHBondContact O-N 3.27Å
218R56.2Low58.9Low212 Ų212112.4 Ų112.480%0.857%0.571SS**Hα-helixtrans-60.9-42173.2-64.2-176.7179.1-177-1.5113.8P216 Q222P216-R218 PolarHBondContact O-N 3.08Å; P216-R218 VanDerWaalsContact O-N 3.09Å; R218-Q222 WeakPolarHBondContact O-CB 3.39Å; R218-Q222 WeakPolarHBondContact O-CG 3.49Å; R218-Q222 PolarHBondContact O-N 2.95Å; R218-Q222 PolarHBondContact O-OE1 3.16Å
219A59.6Low60.1Low46 Ų46111.6 Ų111.638%0.3857%0.569SS.*Hα-helixtrans-77.2-37179.600000111.9P216 Q222 H223P216-A219 HydrophobicContact CB-CB 3.98Å; P216-A219 HydrophobicContact CG-CB 3.94Å; P216-A219 PolarHBondContact O-N 3.19Å; A219-Q222 PolarHBondContact O-N 3.41Å; A219-H223 WeakPolarHBondContact O-CB 3.38Å; A219-H223 PolarHBondContact O-N 2.86Å
220V62.2Low61.1Low76 Ų76114.7 Ų114.746%0.46158%0.578SS.*Hα-helixtrans-68-42.3173.51790000110.6P216 H223 R224P216-V220 PolarHBondContact O-N 2.95Å; V220-H223 PolarHBondContact O-N 2.92Å; V220-R224 VanDerWaalsContact O-CB 3.28Å; V220-R224 WeakPolarHBondContact O-CB 3.38Å; V220-R224 PolarHBondContact O-N 2.84Å
221M63.3Low62Low86 Ų86118.9 Ų118.942%0.42458%0.578SS.*Hα-helixtrans-60.7-51.7169.9-81.5-164178.200110.9E217 H223 R224 M225E217-M221 HydrophobicContact CG-CE 4.23Å; E217-M221 HydrophobicContact CG-CG 4.36Å; E217-M221 WeakPolarHBondContact O-CA 3.41Å; E217-M221 WeakPolarHBondContact O-CB 3.33Å; E217-M221 VanDerWaalsContact O-CG 3.31Å; E217-M221 WeakPolarHBondContact O-CG 3.13Å; E217-M221 PolarHBondContact O-N 3.27Å; M221-H223 VanDerWaalsContact C-N 3.28Å; M221-H223 PolarHBondContact O-N 2.8Å; M221-R224 CarbonylContact O-C 3.54Å; M221-R224 WeakPolarHBondContact O-CA 3.31Å; M221-R224 WeakPolarHBondContact O-CB 3.15Å; M221-R224 PolarHBondContact O-N 3.36Å; M221-M225 HydrophobicContact CB-CE 4.11Å; M221-M225 HydrophobicContact CG-CE 4.27Å; M221-M225 WeakPolarHBondContact O-CB 3.28Å; M221-M225 VanDerWaalsContact O-CG 3.28Å; M221-M225 WeakPolarHBondContact O-CG 3.35Å; M221-M225 PolarHBondContact O-N 3.33Å; M221-M225 HydrophobicContact SD-CE 3.8Å
222Q65.4Low62.8Low133 Ų133114.1 Ų114.162%0.62157%0.567SS**Hα-helixtrans-54.4-43.6177.4-82169.4-26.600111.8R218 A219 R224 M226R218-Q222 WeakPolarHBondContact O-CB 3.39Å; R218-Q222 WeakPolarHBondContact O-CG 3.49Å; R218-Q222 PolarHBondContact O-N 2.95Å; R218-Q222 PolarHBondContact O-OE1 3.16Å; A219-Q222 PolarHBondContact O-N 3.41Å; Q222-R224 VanDerWaalsContact C-N 3.35Å; Q222-R224 PolarHBondContact O-N 3.45Å; Q222-M226 WeakPolarHBondContact O-CA 3.2Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 PolarHBondContact O-N 3.45Å
223H64.2Low63.4Low139 Ų139111.3 Ų111.364%0.64456%0.558SS**Hα-helixtrans-71.5-29.1177.7-156.3-41.5000112.7A219 V220 M221 K227A219-H223 WeakPolarHBondContact O-CB 3.38Å; A219-H223 PolarHBondContact O-N 2.86Å; V220-H223 PolarHBondContact O-N 2.92Å; M221-H223 VanDerWaalsContact C-N 3.28Å; M221-H223 PolarHBondContact O-N 2.8Å; H223-K227 WeakPolarHBondContact O-CB 3.49Å; H223-K227 PolarHBondContact O-N 3.45Å
224R73.8Confident63.8Low168 Ų168111 Ų11163%0.63455%0.554SS**Hα-helixtrans-73.5-49174.3-152.3-179.8-162.4156.64.4111.3V220 M221 Q222 K227 E228V220-R224 VanDerWaalsContact O-CB 3.28Å; V220-R224 WeakPolarHBondContact O-CB 3.38Å; V220-R224 PolarHBondContact O-N 2.84Å; M221-R224 CarbonylContact O-C 3.54Å; M221-R224 WeakPolarHBondContact O-CA 3.31Å; M221-R224 WeakPolarHBondContact O-CB 3.15Å; M221-R224 PolarHBondContact O-N 3.36Å; Q222-R224 VanDerWaalsContact C-N 3.35Å; Q222-R224 PolarHBondContact O-N 3.45Å; R224-K227 CarbonylContact O-C 3.57Å; R224-K227 PolarHBondContact O-N 2.81Å; R224-E228 WeakPolarHBondContact O-CB 3.28Å; R224-E228 VanDerWaalsContact O-CG 3.3Å; R224-E228 WeakPolarHBondContact O-CG 3.06Å; R224-E228 PolarHBondContact O-N 3.19Å
225M67Low64.2Low112 Ų112111.4 Ų111.455%0.55256%0.556SS**Hα-helixtrans-64.4-39.2175.8-65.1-176.6-17500111.8M221 E228 A229M221-M225 HydrophobicContact CB-CE 4.11Å; M221-M225 HydrophobicContact CG-CE 4.27Å; M221-M225 WeakPolarHBondContact O-CB 3.28Å; M221-M225 VanDerWaalsContact O-CG 3.28Å; M221-M225 WeakPolarHBondContact O-CG 3.35Å; M221-M225 PolarHBondContact O-N 3.33Å; M221-M225 HydrophobicContact SD-CE 3.8Å; M225-E228 PolarHBondContact O-N 3.47Å; M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 3.11Å
226M71.8Confident64.7Low124 Ų124117.4 Ų117.461%0.61157%0.567SS**Hα-helixtrans-67.8-39.2172.5-176.4-180175.400111.2Q222 Q230Q222-M226 WeakPolarHBondContact O-CA 3.2Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 PolarHBondContact O-N 3.45Å; M226-Q230 WeakPolarHBondContact O-CB 3.46Å; M226-Q230 PolarHBondContact O-N 3.27Å
227K77.2Confident64.7Low147 Ų147121.5 Ų121.564%0.63959%0.586SS**Hα-helixtrans-68.4-35.5175.3-175.3172.9-176.6174.30112.3H223 R224 R231H223-K227 WeakPolarHBondContact O-CB 3.49Å; H223-K227 PolarHBondContact O-N 3.45Å; R224-K227 CarbonylContact O-C 3.57Å; R224-K227 PolarHBondContact O-N 2.81Å; K227-R231 VanDerWaalsContact O-CB 3.25Å; K227-R231 WeakPolarHBondContact O-CB 3.13Å; K227-R231 PolarHBondContact O-N 3.06Å
228E71.9Confident64.6Low111 Ų111121.8 Ų121.852%0.51959%0.592SS.*Hα-helixtrans-72.2-43.7174.6-75.4163.8-167.900111.2R224 M225 R231 A232R224-E228 WeakPolarHBondContact O-CB 3.28Å; R224-E228 VanDerWaalsContact O-CG 3.3Å; R224-E228 WeakPolarHBondContact O-CG 3.06Å; R224-E228 PolarHBondContact O-N 3.19Å; M225-E228 PolarHBondContact O-N 3.47Å; E228-R231 CarbonylContact O-C 3.54Å; E228-R231 PolarHBondContact O-N 3.16Å; E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 3.13Å
229A71.9Confident64.3Low48 Ų48114.5 Ų114.540%0.39758%0.582SS.*Hα-helixtrans-63-42.7172.900000111.7M225 R231 A232 M233M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 3.11Å; A229-R231 VanDerWaalsContact C-N 3.3Å; A229-R231 PolarHBondContact O-N 3.11Å; A229-A232 CarbonylContact O-C 3.46Å; A229-A232 PolarHBondContact O-N 3.09Å; A229-A232 VanDerWaalsContact O-N 3.16Å; A229-M233 VanDerWaalsContact O-CB 3.28Å; A229-M233 WeakPolarHBondContact O-CB 3.36Å; A229-M233 WeakPolarHBondContact O-CG 3.1Å; A229-M233 PolarHBondContact O-N 2.77Å
230Q70.9Confident63.3Low125 Ų125120.6 Ų120.658%0.58460%0.603SS**Hα-helixtrans-65.1-34174.8-171.8172.9-600111.4M226 M233 T234M226-Q230 WeakPolarHBondContact O-CB 3.46Å; M226-Q230 PolarHBondContact O-N 3.27Å; Q230-M233 PolarHBondContact O-N 3.02Å; Q230-T234 PolarHBondContact O-N 3.24Å; Q230-T234 PolarHBondContact O-OG1 3.35Å
231R70.3Confident62.5Low207 Ų207122.9 Ų122.978%0.78162%0.619SS**Hα-helixtrans-72.6-29.5172.6-162.3175.1-167.1175.93.2112.9K227 E228 A229 T234K227-R231 VanDerWaalsContact O-CB 3.25Å; K227-R231 WeakPolarHBondContact O-CB 3.13Å; K227-R231 PolarHBondContact O-N 3.06Å; E228-R231 CarbonylContact O-C 3.54Å; E228-R231 PolarHBondContact O-N 3.16Å; A229-R231 VanDerWaalsContact C-N 3.3Å; A229-R231 PolarHBondContact O-N 3.11Å; R231-T234 VanDerWaalsContact C-OG1 3.26Å; R231-T234 VanDerWaalsContact CA-OG1 3.31Å; R231-T234 WeakPolarHBondContact CA-OG1 3.11Å; R231-T234 PolarHBondContact O-OG1 3.44Å
232A64.2Low61.7Low67 Ų67124.5 Ų124.555%0.55463%0.634SS**Hα-helixtrans-81-21.3171.800000113.2E228 A229 P235E228-A232 WeakPolarHBondContact O-CB 3.3Å; E228-A232 PolarHBondContact O-N 3.13Å; A229-A232 CarbonylContact O-C 3.46Å; A229-A232 PolarHBondContact O-N 3.09Å; A229-A232 VanDerWaalsContact O-N 3.16Å; A232-P235 WeakPolarHBondContact O-CD 3.4Å
233M60.7Low60.2Low111 Ų111128.8 Ų128.855%0.54765%0.646SS.*Hα-helixtrans-93.4-15.7175-77.5-178.8167.600113.7A229 Q230 P235 W236 L237A229-M233 VanDerWaalsContact O-CB 3.28Å; A229-M233 WeakPolarHBondContact O-CB 3.36Å; A229-M233 WeakPolarHBondContact O-CG 3.1Å; A229-M233 PolarHBondContact O-N 2.77Å; Q230-M233 PolarHBondContact O-N 3.02Å; M233-P235 VanDerWaalsContact C-CD 3.41Å; M233-P235 VanDerWaalsContact C-N 3.29Å; M233-W236 WeakPolarHBondContact O-CA 3.25Å; M233-W236 PolarHBondContact O-N 2.84Å; M233-L237 HydrophobicContact CB-CD1 4.12Å; M233-L237 PolarHBondContact O-N 3.03Å
234T60.6Low58.6Low79 Ų79126.5 Ų126.549%0.48565%0.651SS.*Hα-helixtrans-52-38.3171.611.40000114.4Q230 R231 W236Q230-T234 PolarHBondContact O-N 3.24Å; Q230-T234 PolarHBondContact O-OG1 3.35Å; R231-T234 VanDerWaalsContact C-OG1 3.26Å; R231-T234 VanDerWaalsContact CA-OG1 3.31Å; R231-T234 WeakPolarHBondContact CA-OG1 3.11Å; R231-T234 PolarHBondContact O-OG1 3.44Å; T234-W236 VanDerWaalsContact C-N 3.27Å; T234-W236 PolarHBondContact O-N 3.45Å
235P60.2Low56.7Low81 Ų81124.2 Ų124.253%0.52666%0.658SS.*Hα-helixtrans-64.4-26.1171.1-22.534.3000114.6A232 M233A232-P235 WeakPolarHBondContact O-CD 3.4Å; M233-P235 VanDerWaalsContact C-CD 3.41Å; M233-P235 VanDerWaalsContact C-N 3.29Å
236W57.9Low55.6Low202 Ų202127.4 Ų127.477%0.76568%0.676SS**Hα-helixtrans-94-30.4-175.1-78.391.2000113.8M233 T234M233-W236 WeakPolarHBondContact O-CA 3.25Å; M233-W236 PolarHBondContact O-N 2.84Å; T234-W236 VanDerWaalsContact C-N 3.27Å; T234-W236 PolarHBondContact O-N 3.45Å
237L54.8Low53.8Low142 Ų142125.8 Ų125.874%0.74368%0.677SS**Hα-helixtrans-73.9-34.9173.8-93.991.4000112.8M233 G239M233-L237 HydrophobicContact CB-CD1 4.12Å; M233-L237 PolarHBondContact O-N 3.03Å; L237-G239 PolarHBondContact O-N 3.15Å; L237-G239 VanDerWaalsContact O-N 3.13Å
238N53.3Low51.8Low142 Ų142127.7 Ų127.776%0.75969%0.688SS**THydrogen-bonded Turntrans-89.646.4176.6-73.120.3000111Q240N238-Q240 PolarHBondContact O-N 3.39Å
239G49.4Very low49.8Very low58 Ų58129.5 Ų129.560%0.59871%0.706SS**THydrogen-bonded Turntrans-40.1113.6-157.300000117.3L237L237-G239 PolarHBondContact O-N 3.15Å; L237-G239 VanDerWaalsContact O-N 3.13Å
240Q38.8Very low47.7Very low175 Ų175132.1 Ų132.182%0.81872%0.722SS**  trans-137.2143.5146.3-76.6-151.8-41.300110.6N238N238-Q240 PolarHBondContact O-N 3.39Å
241P43.9Very low45.8Very low124 Ų124130.8 Ų130.881%0.80573%0.726SS**  trans-77.3154.7-175.932-35.5000112.8Y243P241-Y243 PolarHBondContact O-N 2.79Å
242V46.8Very low43.9Very low120 Ų120130 Ų13073%0.72773%0.732SS**  trans-52.9124.1174175.70000112
243Y33.8Very low42.3Very low223 Ų223135.9 Ų135.988%0.87575%0.75SS**  trans-174.9142.9132.3-103.6-68.9000113P241P241-Y243 PolarHBondContact O-N 2.79Å
244A31.3Very low40.8Very low91 Ų91137.5 Ų137.575%0.75276%0.761SS**  trans69.7166.7165.400000118.3
245P34.8Very low39.5Very low119 Ų119139.7 Ų139.777%0.77378%0.776SS**  -128.3174.9-6038.1-25.9000113.6S247P245-S247 PolarHBondContact O-N 3.47Å
246L43.1Very low38.1Very low180 Ų180139.8 Ų139.894%0.94278%0.784SS**  trans-74104.5176.3178.876.9000112.2
247S34.1Very low36.9Very low90 Ų90137.9 Ų137.963%0.62979%0.788SS**  trans-168.1130.5153.453.30000113.4P245P245-S247 PolarHBondContact O-N 3.47Å
248Q34.2Very low35.7Very low187 Ų187142.3 Ų142.387%0.87480%0.796SS**  trans56.9106.3155.3-61.2176.4-13.100118.4
249V31.2Very low34.7Very low148 Ų148141.3 Ų141.390%0.89780%0.797SS**  -160.1113.3117.9141.40000108.8
250S26.7Very low33.7Very low103 Ų103141.9 Ų141.972%0.7280%0.804SS**  trans-62.8153.7158.448.50000109.8
251S32.5Very low33.4Very low98 Ų98139.8 Ų139.869%0.68581%0.808SS**  cis175.3134.76.139.70000106.2
252Q30.4Very low32.9Very low190 Ų190140.4 Ų140.489%0.88881%0.81SS**  trans174.6157.2143.2-100.7167.421.300112
253M29.4Very low32.2Very low190 Ų190140.3 Ų140.394%0.93681%0.814SS**  trans74.4121178.8-118.862.1-177.800117.4
254N30.5Very low32Very low146 Ų146133 Ų13378%0.78181%0.807SS**  trans-96.8131.6-162.3-165.922.4000111.3
255P32.9Very low32.1Very low125 Ų125138.4 Ų138.481%0.81281%0.813SS**  trans-89.7111.4172.932.9-28.9000110.7
256A30.8Very low32.2Very low83 Ų83138.5 Ų138.569%0.68682%0.817SS**  trans-114.8143.2171.900000111.2
257L32.3Very low32Very low161 Ų161137.2 Ų137.284%0.84381%0.809SS**  trans77.682.4169.9-49179.4000117.6
258Y29.1Very low32.2Very low236 Ų236138.5 Ų138.593%0.92582%0.816SS**  -138.6118.9128.9-115.4-84.7000109.2
259P33.2Very low32.3Very low120 Ų120138 Ų13878%0.77982%0.818SS**  trans-93136.7-177.834-31.7000112.8
260G28.4Very low32.3Very low71 Ų71140.3 Ų140.373%0.73282%0.816SS**  trans78.4104.8146.400000118.7
261S31.9Very low32.8Very low130 Ų130141.4 Ų141.491%0.90982%0.821SS**  -158.5148109.6-83.70000111.3
262V32.7Very low32.9Very low138 Ų138145.5 Ų145.584%0.83683%0.831SS**  trans-109.7170.2-163.5-71.30000112.4
263S32.9Very low33.2Very low118 Ų118142 Ų14283%0.82583%0.825SS**  trans80.4100.8155.7-148.40000116.5
264G29.9Very low33.5Very low70 Ų70141 Ų14172%0.72282%0.822SS**  trans-81.6162.9178.600000115.3
265K33.8Very low34Very low203 Ų203139.3 Ų139.388%0.88382%0.82SS**  trans-155.4120.6138.5-113.4159.6-178.3170.90108.4
266S35.7Very low34.5Very low122 Ų122138.9 Ų138.985%0.85382%0.817SS**  trans-74.2129.5172.538.40000109.6
267I39.5Very low34.7Very low152 Ų152141 Ų14178%0.77982%0.823SS**  trans-131121.8167.5-56.2179.4000106.4
268P38.5Very low34.8Very low118 Ų118142.3 Ų142.377%0.76683%0.825SS**  trans-75.7141.5-171.329.3-34.5000112.3
269L36.8Very low35.1Very low175 Ų175136.1 Ų136.192%0.91681%0.814SS**  trans-65.8137.1172-68.687.6000110.2
270K31.3Very low34.9Very low197 Ų197137 Ų13786%0.85782%0.817SS**  trans-104.4122.9169.4-157.6172.8-173.81780108.3
271P36.9Very low34.8Very low126 Ų126137 Ų13782%0.81881%0.81SS**  trans-71.1139.1-177.928.6-33.9000110.8
272M35Very low34.8Very low184 Ų184141.6 Ų141.691%0.90681%0.809SS**  trans-112.8144173.9-158.9165.6-170.600110
273P36.8Very low34.8Very low116 Ų116140 Ų14075%0.75380%0.804SS**PPolyproline II helixtrans-79.8152.6-158.2-16.432.5000115.6
274L33.9Very low34.8Very low169 Ų169143.1 Ų143.189%0.88581%0.808SS**PPolyproline II helixtrans-69.9133.2164.2-69.9143.3000110.6
275P42.4Very low35.3Very low112 Ų112145.2 Ų145.273%0.72781%0.809SS**PPolyproline II helixtrans-73.3153.6161.630.2-31.8000111.3
276P43.3Very low35.3Very low115 Ų115141.2 Ų141.275%0.74780%0.803SS**PPolyproline II helixtrans-77.2155.8-166.530.6-36.7000114.3
277P34.3Very low35.5Very low127 Ų127141.5 Ų141.583%0.82580%0.802SS**PPolyproline II helixtrans-74133.1177.731-34.2000111.5
278Q33.8Very low35.2Very low190 Ų190140 Ų14089%0.88881%0.806SS**PPolyproline II helixtrans-101.6133.2163.6-68.7-146.1-15.500110.7
279P35.3Very low34.9Very low105 Ų105140.9 Ų140.968%0.68281%0.809SS**PPolyproline II helixtrans-93.1155.8-173.636.4-35.6000113.2
280T30.4Very low34.6Very low139 Ų139141.9 Ų141.985%0.85381%0.808SS**  trans64.5155.7155.455.30000119.3
281A26.1Very low34.4Very low70 Ų70135.9 Ų135.958%0.57980%0.803SS**  cis-175.4113.6-30.600000108.6
282Y30.9Very low34Very low227 Ų227136 Ų13689%0.8980%0.802SS**  trans-152.495.1163.2-73-66.5000108.1
283S33.6Very low33.7Very low105 Ų105135.9 Ų135.973%0.73480%0.798SS**  78.69481.7700000113.6
284M32.6Very low33.5Very low183 Ų183137 Ų13790%0.90180%0.802SS**PPolyproline II helixtrans-74.4137.5168.6-70.8-93.2-74.900111.2
285P39.7Very low33.6Very low114 Ų114133.9 Ų133.974%0.7480%0.795SS**PPolyproline II helixtrans-85.6151.6166.933-31.8000112.5
286P34.7Very low33.4Very low119 Ų119133.6 Ų133.677%0.77380%0.802SS**PPolyproline II helixtrans-80.8166.5179.934.1-36.1000113.4
287P39.7Very low33.5Very low128 Ų128133 Ų13383%0.83179%0.792SS**PPolyproline II helixtrans-82.4141.2-169.132.7-35.5000113.8
288S32.7Very low34.2Very low121 Ų121132.1 Ų132.185%0.84679%0.785SS**  trans-109.6135168.355.30000111.4
289V32.9Very low35.1Very low137 Ų137126.7 Ų126.783%0.8376%0.762SS**  trans-97.6118.1-176.9177.60000109.9
290Q30Very low36.1Very low195 Ų195129.2 Ų129.291%0.91177%0.765SS**  trans-179.1139.1135.3-99.5161.910.500109.1
291G28.5Very low37.3Very low72 Ų72129.8 Ų129.874%0.74276%0.76SS**  trans-115.1154.3-159.600000115.7
292T27.1Very low39Very low129 Ų129131.4 Ų131.479%0.79176%0.758SS**  trans-153.898.7155.45.40000110.7
293H29.8Very low40.3Very low181 Ų181124.9 Ų124.984%0.83874%0.739SS**  trans64.8166.1161.4-60.4-74.5000121.4
294V32.8Very low41.9Very low138 Ų138128 Ų12884%0.83674%0.736SS**  trans73114.9167-109.70000121.9
295S34.9Very low43.5Very low105 Ų105123.7 Ų123.773%0.73472%0.716SS**  trans42.1113.8151.5-63.30000121.4N297S295-N297 PolarHBondContact O-N 3.44Å
296A39.1Very low44.9Very low106 Ų106122.6 Ų122.688%0.87670%0.701SS**  trans-59.4115.116000000110.5
297N43.9Very low46.3Very low101 Ų101122.7 Ų122.754%0.5470%0.695SS.*  trans-100.799-166.1-159.6-5.1000111S295 N299S295-N297 PolarHBondContact O-N 3.44Å; N297-N299 PolarHBondContact O-N 2.75Å; N297-N299 WeakPolarHBondContact OD1-CB 3.31Å; N297-N299 PolarHBondContact OD1-ND2 2.77Å; N297-N299 VanDerWaalsContact OD1-ND2 3.08Å
298T50.7Low46.9Very low110 Ų110122.8 Ų122.868%0.67568%0.684SS**THydrogen-bonded Turntrans-64.2-6.9178.544.60000114.2Q300T298-Q300 PolarHBondContact O-N 2.72Å
299N52.8Low48.1Very low75 Ų75121.4 Ų121.440%0.40167%0.67SS.*Hα-helixtrans-75.2-22.6-168.9-62.2-11.4000113.6N297 M301 L302 D303N297-N299 PolarHBondContact O-N 2.75Å; N297-N299 WeakPolarHBondContact OD1-CB 3.31Å; N297-N299 PolarHBondContact OD1-ND2 2.77Å; N297-N299 VanDerWaalsContact OD1-ND2 3.08Å; N299-M301 VanDerWaalsContact C-N 3.32Å; N299-M301 PolarHBondContact O-N 2.88Å; N299-L302 CarbonylContact O-C 3.59Å; N299-L302 WeakPolarHBondContact O-CB 3.36Å; N299-L302 PolarHBondContact O-N 3.27Å; N299-D303 PolarHBondContact O-N 2.9Å
300Q56.4Low49.1Very low159 Ų159123.8 Ų123.874%0.74366%0.664SS**Hα-helixtrans-63.5-32.6-178.1-68-177.1-19.400114T298 Y304T298-Q300 PolarHBondContact O-N 2.72Å; Q300-Y304 PolarHBondContact O-N 3.49Å
301M54.8Low50.1Low151 Ų151117.7 Ų117.774%0.74465%0.654SS**Hα-helixtrans-78.5-28174.5-174.5177.2174.900112.1N299 L305N299-M301 VanDerWaalsContact C-N 3.32Å; N299-M301 PolarHBondContact O-N 2.88Å; M301-L305 PolarHBondContact O-N 3.45Å
302L61.6Low51.1Low104 Ų104120.4 Ų120.455%0.54565%0.649SS.*Hα-helixtrans-75.1-43.9176-76.5159.1000111.3N299 Y304 L305 E306N299-L302 CarbonylContact O-C 3.59Å; N299-L302 WeakPolarHBondContact O-CB 3.36Å; N299-L302 PolarHBondContact O-N 3.27Å; L302-Y304 VanDerWaalsContact C-N 3.27Å; L302-Y304 PolarHBondContact O-N 2.98Å; L302-L305 PolarHBondContact O-N 3.03Å; L302-L305 VanDerWaalsContact O-N 3.13Å; L302-E306 PolarHBondContact O-N 2.76Å
303D58.1Low51.8Low90 Ų90121.2 Ų121.248%0.48165%0.649SS.*Hα-helixtrans-59-37.5175.6-72.9-31.2000111.9N299 E306 N307N299-D303 PolarHBondContact O-N 2.9Å; D303-E306 PolarHBondContact O-N 3.46Å; D303-N307 WeakPolarHBondContact O-CB 3.28Å; D303-N307 PolarHBondContact O-N 3.2Å
304Y67.4Low52.5Low170 Ų170118.7 Ų118.767%0.66765%0.645SS**Hα-helixtrans-67.2-38.4177.3-156.3-87.3000112.2Q300 L302 Q308Q300-Y304 PolarHBondContact O-N 3.49Å; L302-Y304 VanDerWaalsContact C-N 3.27Å; L302-Y304 PolarHBondContact O-N 2.98Å; Y304-Q308 PolarHBondContact O-N 2.78Å
305L66Low52.6Low92 Ų92118.1 Ų118.148%0.48264%0.643SS.*Hα-helixtrans-71.8-39.8174.5-78.5163.9000112M301 L302 Q308 V309M301-L305 PolarHBondContact O-N 3.45Å; L302-L305 PolarHBondContact O-N 3.03Å; L302-L305 VanDerWaalsContact O-N 3.13Å; L305-Q308 PolarHBondContact O-N 2.81Å; L305-V309 WeakPolarHBondContact O-CG2 3.4Å; L305-V309 PolarHBondContact O-N 3.16Å; L305-V309 VanDerWaalsContact O-N 3.11Å
306E69.8Low52.4Low92 Ų92118.7 Ų118.743%0.4365%0.646SS.*Hα-helixtrans-64.8-43.2177-171.3174.4154.700111.5L302 D303 Q308 V309 R310L302-E306 PolarHBondContact O-N 2.76Å; D303-E306 PolarHBondContact O-N 3.46Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 2.78Å; E306-V309 PolarHBondContact O-N 3.2Å; E306-V309 VanDerWaalsContact O-N 3.11Å; E306-R310 HydrophobicContact CG-CG 4.46Å; E306-R310 PolarHBondContact O-N 2.74Å; E306-R310 IonicContact OE1-CZ 3.22Å; E306-R310 VanDerWaalsContact OE1-CZ 3.23Å; E306-R310 IonicContact OE1-NE 2.7Å; E306-R310 PolarHBondContact OE1-NE 3.41Å; E306-R310 IonicContact OE1-NH2 3.8Å; E306-R310 PolarHBondContact OE1-NH2 3.43Å
307N63.3Low52.5Low121 Ų121119.2 Ų119.265%0.64764%0.641SS**Hα-helixtrans-65.3-32.4176.5-83.2-15.3000113.1D303D303-N307 WeakPolarHBondContact O-CB 3.28Å; D303-N307 PolarHBondContact O-N 3.2Å
308Q53.2Low51.9Low129 Ų129122.1 Ų122.160%0.60366%0.656SS**Hα-helixtrans-68-35.3170.9-76.1-154.2-80.500112.7Y304 L305 E306Y304-Q308 PolarHBondContact O-N 2.78Å; L305-Q308 PolarHBondContact O-N 2.81Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 2.78Å
309V58.2Low51Low92 Ų92125.2 Ų125.256%0.55867%0.667SS**Hα-helixtrans-74.6-36.1179.4172.40000111.9L305 E306 G311 M312L305-V309 WeakPolarHBondContact O-CG2 3.4Å; L305-V309 PolarHBondContact O-N 3.16Å; L305-V309 VanDerWaalsContact O-N 3.11Å; E306-V309 PolarHBondContact O-N 3.2Å; E306-V309 VanDerWaalsContact O-N 3.11Å; V309-G311 PolarHBondContact O-N 2.99Å; V309-M312 HydrophobicContact CG1-CE 4.46Å; V309-M312 PolarHBondContact O-N 3.14Å; V309-M312 VanDerWaalsContact O-N 3.16Å
310R53.4Low49.9Very low187 Ų187130.8 Ų130.871%0.70669%0.691SS**Hα-helixtrans-67.8-15.9175.4-71.5-172.3-176.3-132.18114.2E306 M312E306-R310 HydrophobicContact CG-CG 4.46Å; E306-R310 PolarHBondContact O-N 2.74Å; E306-R310 IonicContact OE1-CZ 3.22Å; E306-R310 VanDerWaalsContact OE1-CZ 3.23Å; E306-R310 IonicContact OE1-NE 2.7Å; E306-R310 PolarHBondContact OE1-NE 3.41Å; E306-R310 IonicContact OE1-NH2 3.8Å; E306-R310 PolarHBondContact OE1-NH2 3.43Å; R310-M312 PolarHBondContact O-N 2.9Å
311G49.8Very low48.5Very low68 Ų68128.5 Ų128.570%0.70169%0.692SS**THydrogen-bonded Turntrans-77.4-3.7171.900000114.7V309V309-G311 PolarHBondContact O-N 2.99Å
312M50.5Low47.2Very low129 Ų129129.9 Ų129.964%0.63570%0.699SS**SBendtrans-106.983.5-178.2-51.7-167.4-50.900109.9V309 R310 V314V309-M312 HydrophobicContact CG1-CE 4.46Å; V309-M312 PolarHBondContact O-N 3.14Å; V309-M312 VanDerWaalsContact O-N 3.16Å; R310-M312 PolarHBondContact O-N 2.9Å; M312-V314 WeakPolarHBondContact O-CG2 3.44Å
313D40.5Very low46.1Very low146 Ų146130.6 Ų130.678%0.78171%0.71SS**  trans-74.1131.4-177.2-161.7-8.2000112.1
314V46.3Very low45.5Very low127 Ų127132 Ų13277%0.7772%0.724SS**  trans-14149.2-176.1-155.50000112.3M312M312-V314 WeakPolarHBondContact O-CG2 3.44Å
315T34.5Very low43.5Very low127 Ų127129.3 Ų129.378%0.77973%0.73SS**  trans-156.6121.6157.58.70000113.7
316S31Very low41.8Very low116 Ų116133 Ų13381%0.81175%0.745SS**  trans-127.3123.9163.3-178.30000109.7
317P40.2Very low39.9Very low117 Ų117136.1 Ų136.176%0.7676%0.761SS**  trans-119.2127.7148.833.4-23.9000110.9
318L31.5Very low38.2Very low163 Ų163137 Ų13785%0.85376%0.761SS**  trans-71.9128176.2-173.584000111
319L31.3Very low37.1Very low174 Ų174138.7 Ų138.791%0.91177%0.769SS**  trans-154127.4157.9-146.878.2000112.5
320Q29.7Very low35.7Very low192 Ų192142.7 Ų142.790%0.89778%0.784SS**  trans-141.8157.7174.1-156160.51.400108.8
321S28Very low35.1Very low111 Ų111139 Ų13978%0.77678%0.784SS**  trans-116.5170.4-147.550.30000117.1
322M26.3Very low34.9Very low181 Ų181141.1 Ų141.189%0.89279%0.786SS**  trans103.2156.5173.1-65.2-167.3163.400117
323P38.6Very low34.9Very low118 Ų118140.4 Ų140.477%0.76679%0.79SS**  cis-130.3-178.1-44.638.1-20.9000112.5
324P45Very low35Very low121 Ų121139.3 Ų139.379%0.78679%0.791SS**  trans-111.9155.3-160.439.8-33.1000117.9
325S27.2Very low34.6Very low112 Ų112141.6 Ų141.678%0.78379%0.793SS**  trans-153.7131.4164.9-28.10000115.8
326H29.9Very low34.3Very low171 Ų171144.4 Ų144.479%0.79280%0.797SS**  trans55.4122.6152.6-64.3-72.1000125.1
327M28.5Very low34.4Very low157 Ų157147.1 Ų147.177%0.77380%0.8SS**  trans47.4143.9134.6-57.8-150.9-69.200121
328Q29.5Very low34.4Very low140 Ų140148 Ų14865%0.65481%0.805SS**  cis-165.1155.326.7-140.7174.12100113
329Q29.4Very low34.5Very low163 Ų163148.7 Ų148.776%0.76281%0.806SS**  trans61.9119.2147.8-80.2156.9-2.400125.8
330M29Very low34.3Very low176 Ų176148.6 Ų148.687%0.86780%0.8SS**  trans-18176.6141.8-134.1106.1177.700120.1
331P40.7Very low34.5Very low110 Ų110144.7 Ų144.771%0.71479%0.789SS**  cis-131.4-173.8-15.615.512.5000116
332P45.9Very low35.3Very low113 Ų113144 Ų14473%0.73478%0.783SS**  trans-107.3-153.9178.640.8-31000113.9
333P49.6Very low35.5Very low113 Ų113144.8 Ų144.873%0.73478%0.781SS**  -107.6-158.2-69.538.1-19000111.4
334P43.2Very low35.2Very low124 Ų124144 Ų14481%0.80578%0.779SS**  -158-176.779.741.9-18.9000118.4
335Q36.9Very low34.5Very low174 Ų174147.3 Ų147.381%0.81378%0.784SS**  trans-67.1170.8-176.1-50.2-162.5-8.800117.9
336H29Very low34.5Very low186 Ų186145.6 Ų145.686%0.86178%0.784SS**  -173.3154.3123.2-101.877.3000114.1
337M33.2Very low34.7Very low174 Ų174142.3 Ų142.386%0.85779%0.786SS**  trans-124.8157.4160.7-57.4-176-178.700107.9
338P39.9Very low35.6Very low134 Ų134140.6 Ų140.687%0.8779%0.787SS**  -157.8-171.585.240.2-17.5000117.6
339M33.6Very low35.7Very low178 Ų178139.5 Ų139.588%0.87779%0.794SS**  trans-60.2149.3179.2-86.2-96.5-14400118.6
340H28.1Very low35.9Very low172 Ų172140.1 Ų140.180%0.79680%0.799SS**  -178.8-172.5114.9-147.364.4000113.1
341V32.7Very low36Very low110 Ų110139.3 Ų139.367%0.66780%0.797SS**  trans-138.2-178.2-166.2-103.80000111.4
342P45.2Very low35.5Very low98 Ų98139.7 Ų139.764%0.63680%0.802SS**  cis-140.5-169.6222.85.9000117.3
343F30Very low34.7Very low196 Ų196138.6 Ų138.686%0.8680%0.803SS**  trans75.9119.9150.2-74.7-60.5000125.6
344S31.9Very low33.8Very low102 Ų102141.6 Ų141.671%0.71381%0.812SS**  82.5122.7127.4-155.10000123.6
345Q30.4Very low33.3Very low191 Ų191143.1 Ų143.189%0.89381%0.813SS**  167.6150.7104.5-86.8-16020.600114.7
346G27.7Very low33Very low76 Ų76143 Ų14378%0.78482%0.819SS**  trans92.8109.6162.200000117.1
347A34.7Very low33.3Very low102 Ų102136.8 Ų136.884%0.84380%0.804SS**  cis115.3158.416.600000112
348P46.2Very low33.6Very low121 Ų121135.1 Ų135.179%0.78681%0.806SS**  -131.7171.2-117.636.8-16.8000117.4
349S32.3Very low33.4Very low116 Ų116134.9 Ų134.981%0.81180%0.802SS**  trans178.6151.5166.5-87.20000110.9
350M34Very low33.5Very low176 Ų176133.4 Ų133.487%0.86780%0.798SS**  cis-150.7159.4-16.4-83.3-138.6-57.600108.4
351I31.5Very low33.7Very low159 Ų159136 Ų13682%0.81580%0.801SS**  trans-120.3137.4168.3-52.6166.6000107.8
352S29.9Very low33.8Very low118 Ų118141 Ų14183%0.82581%0.808SS**  trans151.2105.1140.5-70.50000113.5
353A28.6Very low33Very low91 Ų91142.4 Ų142.475%0.75281%0.814SS**  trans-162.8144150.100000109.3
354L29.9Very low33.3Very low175 Ų175140.2 Ų140.292%0.91681%0.81SS**  trans64.883.5-178.3-64.9105.7000117.3
355N33.2Very low33.3Very low157 Ų157141 Ų14184%0.8481%0.81SS**  trans-143.694.6137.1-178.474.7000109.2
356D31.6Very low33.7Very low172 Ų172138 Ų13892%0.9281%0.805SS**  trans-126.2123.8174.2-102-53.4000109.8
357G34.3Very low34.3Very low54 Ų54139.8 Ų139.856%0.55780%0.802SS**  trans-178.5112.4-176.400000108.7
358P39.3Very low34.7Very low140 Ų140140.4 Ų140.491%0.90980%0.798SS**  trans-78138-159.328.7-35.1000113.5
359V36.7Very low33.9Very low129 Ų129141.3 Ų141.378%0.78280%0.796SS**  trans-104.9116.8172.6177.60000109.5R361V359-R361 PolarHBondContact O-N 2.77Å; V359-R361 VanDerWaalsContact O-N 3.15Å
360D34.5Very low33.8Very low147 Ų147145.2 Ų145.279%0.78679%0.793SS**  trans-73102178.2-136.8-17.2000110.3
361R33.7Very low33.7Very low227 Ų227141.5 Ų141.586%0.85778%0.777SS**  trans-102.597.8174-96.2-177.8166.1167.7-3.8110V359 V363V359-R361 PolarHBondContact O-N 2.77Å; V359-R361 VanDerWaalsContact O-N 3.15Å; R361-V363 PolarHBondContact O-N 2.95Å
362R34.1Very low33.8Very low215 Ų215141 Ų14181%0.81177%0.769SS**  trans-83.3107.1164.6-71.9-169-161.8-175.27.3111.2
363V28.4Very low33.8Very low127 Ų127144.7 Ų144.777%0.7777%0.766SS**  trans-74.5131.4157.7175.20000108R361R361-V363 PolarHBondContact O-N 2.95Å
364I36.6Very low34.2Very low149 Ų149145.7 Ų145.776%0.76477%0.767SS**  trans-127.8124.8164.3-62.1-177000108.7
365T31.4Very low34.3Very low119 Ų119141.1 Ų141.173%0.7376%0.762SS**  trans-76.5147.7-176.2-47.20000112
366V38.6Very low34.4Very low128 Ų128145.2 Ų145.278%0.77677%0.766SS**  trans-105.8136.6170.5-177.80000110
367P40.5Very low35.1Very low113 Ų113142.4 Ų142.473%0.73476%0.758SS**  trans-128.4168.8136.58.414.2000112.9
368P44.2Very low35.6Very low115 Ų115145.4 Ų145.475%0.74777%0.767SS**  trans-110.9170.7-153.640.1-34.1000116.2
369N28.1Very low35.7Very low140 Ų140143.3 Ų143.375%0.74976%0.761SS**  140142.8113.4-144.26.2000116.5
370R31Very low36.2Very low199 Ų199143.2 Ų143.275%0.75176%0.763SS**  trans78.7123.5152.7-77.1179.1113.4123.19.6125.6
371D31.6Very low36.1Very low98 Ų98146 Ų14652%0.52477%0.768SS.*  8499126.2-70.8-37.6000123.7
372K33.4Very low36.2Very low149 Ų149141.4 Ų141.465%0.64877%0.766SS**  83.6149.1120.8-65176.4-178.3-176.60123.8
373Y31.1Very low36.2Very low194 Ų194142.3 Ų142.376%0.76177%0.77SS**  trans83.8102.5155.4-66.4-60.2000122
374S35.1Very low37.6Very low112 Ų112141 Ų14178%0.78376%0.764SS**  35.6129126.661.80000122
375G32Very low37.9Very low79 Ų79140.2 Ų140.281%0.81477%0.768SS**  trans173.8103.6156.100000116.1
376R36Very low37.9Very low243 Ų243140 Ų14092%0.91777%0.772SS**  trans-93.3134.6161.5177.9-172.3-173.2-151.75.6108.1
377P45.8Very low37.6Very low114 Ų114139.3 Ų139.374%0.7477%0.772SS**  -147.1-158.5125.744.9-27.4000111.7
378P46Very low37.2Very low116 Ų116139 Ų13975%0.75377%0.773SS**  -130.4-178.2-11134-9.9000115.8
379A41.9Very low36.5Very low96 Ų96142.6 Ų142.679%0.79378%0.78SS**  trans-81.2147.9173.200000113.2
380P46.1Very low36.6Very low127 Ų127141.1 Ų141.183%0.82578%0.781SS**  trans-110.4166.9168.535-24.6000114.7
381K33Very low36.7Very low205 Ų205137.4 Ų137.489%0.89179%0.785SS**  trans-98.6174.5-165.4-67.1171.5175.9174.50114.3
382T34.4Very low36.7Very low131 Ų131144.9 Ų144.980%0.80481%0.806SS**  trans-53.2132.2172.749.30000117
383R34.3Very low36.7Very low235 Ų235143.5 Ų143.589%0.88782%0.815SS**  49.2159.8125.7-135.8-157.6170.3177.4-1.7121.4
384P58.2Low36.7Very low99 Ų99137.4 Ų137.464%0.64381%0.811SS**  -110.4-166.4-60.530.9-12.7000112
385P43.6Very low36.6Very low132 Ų132142.6 Ų142.686%0.85782%0.82SS**  -142-172.6106.840.1-26.9000114.9
386S32Very low36.5Very low116 Ų116142.5 Ų142.581%0.81182%0.819SS**  trans-127.5142.7-170.855.40000114.2
387S31.9Very low36.5Very low112 Ų112141 Ų14178%0.78381%0.813SS**  trans-164.2136.5156.643.10000107.5
388S32.5Very low35.8Very low108 Ų108143.4 Ų143.476%0.75582%0.819SS**  cis10988.220.271.80000112.7
389E29.1Very low35.3Very low190 Ų190143.1 Ų143.189%0.88881%0.812SS**  trans-174.8152.6161.4-108.1176149.800109
390S30.5Very low35.1Very low109 Ų109145.9 Ų145.976%0.76281%0.813SS**  cis-154.9166-40.654.60000108.8
391S33.3Very low34.4Very low120 Ų120151.7 Ų151.784%0.83982%0.819SS**  trans-71.3146.6-163.8-47.10000115.9
392R30Very low34.2Very low255 Ų255145.2 Ų145.296%0.96281%0.81SS**  trans-135.7144.1145.3-114.5-176.7-178.2-154.2-0.2112.2
393S34.1Very low34.3Very low121 Ų121143.9 Ų143.985%0.84681%0.812SS**  trans-96.4157-161.151.50000114.7
394G32.1Very low35.1Very low65 Ų65138.8 Ų138.867%0.6781%0.81SS**  trans15393.9145.900000118.8
395F31.8Very low34Very low221 Ų221138.1 Ų138.197%0.96982%0.821SS**  trans51134.9141.5-79.4-93.6000123.5
396G30.2Very low33.4Very low77 Ų77135.5 Ų135.579%0.79482%0.818SS**  trans123.780.9134.300000118.5
397R36.7Very low33.4Very low213 Ų213140.4 Ų140.480%0.80482%0.819SS**  trans-80.6154.4159.8-93.4-173.5174.5-176.3-3.6111.2
398N30Very low33.3Very low163 Ų163145.6 Ų145.687%0.87282%0.821SS**  -166.5158.5122.7-101.6-11.4000113
399D35.5Very low33.2Very low111 Ų111150.4 Ų150.459%0.59482%0.824SS**  trans-111.5162.2-160-51.8-72.9000114.7
400D37.9Very low33.9Very low153 Ų153146.8 Ų146.882%0.81882%0.817SS**  trans68.6152.9137.9-89-44.8000125.8
401R30.7Very low34.1Very low249 Ų249146.1 Ų146.194%0.9481%0.813SS**  trans81.3144.1172.1-55.8174.2175.8150.6-0.7117.6
402G30.3Very low34.9Very low70 Ų70146.1 Ų146.172%0.72281%0.81SS**  cis142.497.2-10.900000116.1
403A36.1Very low34.9Very low102 Ų102140.4 Ų140.484%0.84380%0.804SS**  trans67.6168163.100000117.1
404P50.2Low34.7Very low128 Ų128145.4 Ų145.483%0.83180%0.804SS**  cis-144.7158.614.541.6-21.3000121.2
405G35.3Very low34.6Very low85 Ų85147.1 Ų147.188%0.87681%0.805SS**  trans94.1130.8130.100000122.2
406G31.6Very low34.8Very low78 Ų78148.7 Ų148.780%0.80481%0.805SS**  trans170.735167.900000127
407R31.6Very low34.9Very low218 Ų218148.3 Ų148.382%0.82380%0.801SS**  trans60.9128.5153.6-65.2-173179.3-158.60.1124.7
408R29.8Very low35.1Very low222 Ų222145.2 Ų145.284%0.83880%0.799SS**  trans88.9137.8136.6-73.4178-175.6-176.30.3123.7
409Y30.9Very low35.6Very low208 Ų208143.6 Ų143.682%0.81680%0.797SS**  trans-85.7176.2175.2-124.2-123.7000111.1
410P44Very low35.4Very low114 Ų114149.4 Ų149.474%0.7481%0.811SS**  cis-151.1155.536.841.8-19.7000122.7
411S33.6Very low35Very low95 Ų95146.9 Ų146.966%0.66481%0.805SS**  trans52.5149.4132.7-56.30000125.6
412P50.1Low35.1Very low121 Ų121146.4 Ų146.479%0.78681%0.805SS**  trans-105.9164.5-17941.5-35.9000116.1
413T30.1Very low35.1Very low135 Ų135147.9 Ų147.983%0.82880%0.804SS**  trans-149.7160.1161.573.30000108.1
414R30.2Very low34.8Very low226 Ų226150.9 Ų150.985%0.85380%0.801SS**  cis-161.4147.4-9.7-131-179.2-172.1179.22.6108.4
415S30.7Very low33.8Very low100 Ų100152.7 Ų152.770%0.69980%0.798SS**  trans22.4127.1145.860.40000122.1
416R35.9Very low33.5Very low255 Ų255153.2 Ų153.296%0.96279%0.788SS**  -162.2134116.5-123.8173.3-179.8152.5-0.6112
417G30.9Very low33.7Very low68 Ų68156.8 Ų156.870%0.70179%0.788SS**  trans-121.6157.6170.800000110.8
418I40.8Very low33.9Very low149 Ų149154.3 Ų154.376%0.76479%0.791SS**  trans-142.9129.6168.7-60167.8000105.8
419P42.1Very low34.1Very low129 Ų129146.9 Ų146.984%0.83878%0.784SS**  trans-128.5163.4130.126.7-12.3000112.3
420R31.6Very low34.1Very low233 Ų233149.3 Ų149.388%0.87979%0.791SS**  trans-85.8156.5-173.4-70.6174.5164.793.2-3.8112.1
421S29.4Very low33.5Very low100 Ų100146.9 Ų146.970%0.69979%0.788SS**  trans-66.5148.5175.449.70000114.3
422Y31.3Very low33.6Very low239 Ų239151.4 Ų151.494%0.93780%0.798SS**  -142.1147.4127.7-107.4-81000109.1
423S30.6Very low32.7Very low101 Ų101153.9 Ų153.971%0.70679%0.792SS**  trans-100.9155.3-174.9-47.70000111
424E30.7Very low32.8Very low164 Ų164156.6 Ų156.677%0.76679%0.788SS**  -171169.2123.1-101.2-50.1131.300110.4
425E28.2Very low32.9Very low166 Ų166150.9 Ų150.978%0.77678%0.782SS**  trans-40.1164.517865.1-178.9174.800117.6
426S30.2Very low33.2Very low97 Ų97155.8 Ų155.868%0.67879%0.791SS**  cis-157.3175.526.5-157.20000114.5
427L34.6Very low33.5Very low152 Ų152149.4 Ų149.480%0.79678%0.782SS**  trans-49.6139-179.1-58.1158.8000114.7
428D36.2Very low33.5Very low166 Ų166149.6 Ų149.689%0.88878%0.784SS**  -174.215297.6-113.7-29000113.5
429G33.1Very low33.1Very low66 Ų66150.4 Ų150.468%0.6879%0.787SS**  trans-113.9136.2-174.200000114.5
430R32.1Very low32.7Very low259 Ų259152.1 Ų152.198%0.97779%0.789SS**  trans-161.4113.2146.9-116.2174.5-173.4-159.11.6112.1
431G31.9Very low33Very low64 Ų64150.5 Ų150.566%0.6678%0.783SS**  trans-109.6131.5168.100000110.8
432H34.1Very low33.7Very low189 Ų189151.6 Ų151.688%0.87579%0.788SS**  trans171.9139.2159.8-86.9-52.1000106
433Y32.3Very low33.7Very low173 Ų173149.3 Ų149.368%0.67878%0.778SS**  cis-167.1154.9-2.4177-123.7000109.6
434R31.8Very low33.9Very low193 Ų193149.3 Ų149.373%0.72878%0.777SS**  trans78.5130.7159.1-101.3180-165.3173.99.8123.8
435S33.4Very low34Very low105 Ų105152.9 Ų152.973%0.73478%0.784SS**  trans89.793.7137.7-61.60000122
436K37Very low34.2Very low203 Ų203150.3 Ų150.388%0.88378%0.784SS**  -0.9164.3127.2-79.7-177.9172.3-179.60119.1
437P41.8Very low34.6Very low121 Ų121155.8 Ų155.879%0.78679%0.79SS**  cis-130.3169.9-2836.6-20000112.2
438G30.6Very low34.6Very low72 Ų72154.8 Ų154.874%0.74279%0.786SS**  trans-90.1166.1-179.700000114.7
439M33Very low34.6Very low167 Ų167155.3 Ų155.382%0.82379%0.788SS**  -176.2118.7125.2-162.670.471.700110.4
440N32.8Very low34.8Very low165 Ų165159 Ų15988%0.88279%0.792SS**  171.5152.2125.3-89.8-41000112.9
441R38.1Very low34.9Very low198 Ų198155.9 Ų155.975%0.74779%0.786SS**  trans-117.4146.3-170.1-174-176.9-176.1153.93.1109.4R443R441-R443 HydrophobicContact CG-CB 4.4Å
442P43.4Very low35Very low123 Ų123159.8 Ų159.880%0.79979%0.791SS**  -136139.5115.833.8-21.9000109.7
443R31.2Very low34.9Very low192 Ų192156.1 Ų156.173%0.72579%0.787SS**  cis62.478.743.8-157.2170.4-166.8137.37115.4R441R441-R443 HydrophobicContact CG-CB 4.4Å
444S34.6Very low35Very low100 Ų100158.9 Ų158.970%0.69980%0.796SS**  trans21.7112.3132.964.40000119
445R33.3Very low35.2Very low240 Ų240155.7 Ų155.791%0.90680%0.804SS**  trans-145.4126.8144.1-89-172.2-179.4123.1-0.6105.9
446S33.6Very low35.1Very low112 Ų112162.4 Ų162.478%0.78381%0.813SS**  85.1135.975.4-165.90000111.1
447R37Very low35Very low212 Ų212156 Ų15680%0.880%0.804SS**SBendtrans-65.1170.5176.2-81.1157.750.6173.8-2.9111.8
448D35Very low34.4Very low131 Ų131157.8 Ų157.870%0.70181%0.807SS**  trans8290.8169-45.1-35.4000114
449D37.2Very low34.5Very low176 Ų176165.5 Ų165.594%0.94182%0.815SS**  -154.8135.3125.5-92.7-35.8000109.9
450L37.8Very low34.5Very low145 Ų145162.5 Ų162.576%0.75981%0.811SS**  trans-112.2146.6-171.8-103.6140.6000109.9
451F33.2Very low34.9Very low193 Ų193160.2 Ų160.285%0.84681%0.805SS**  trans53.8108.2169.8-65-74.9000118
452D33.7Very low35.2Very low145 Ų145157 Ų15778%0.77581%0.81SS**  -158.7147100-162.15.9000110.7
453S32.5Very low34.6Very low112 Ų112155.8 Ų155.878%0.78381%0.81SS**  trans-12094.5177.8-69.70000109.3
454R34.9Very low34.7Very low231 Ų231150.9 Ų150.987%0.87281%0.811SS**  trans-153.5115166.1-111.8151.2-164.2-142.91.2114.6R456R454-R456 PolarHBondContact O-N 3.4Å
455S34.8Very low34.5Very low127 Ų127155.9 Ų155.989%0.88881%0.814SS**  trans-65.7124.5170.3-46.10000111.7
456R32.5Very low34.4Very low246 Ų246154.2 Ų154.293%0.92881%0.808SS**  trans-146.6126.8151.7-91.8-177.6169-166.1-5.4105.8R454R454-R456 PolarHBondContact O-N 3.4Å
457G33.3Very low34.3Very low67 Ų67154.6 Ų154.669%0.69181%0.81SS**  cis94.995.224.500000107.8
458D31Very low34Very low160 Ų160155.8 Ų155.886%0.85682%0.815SS**  trans-59.6133-168.7-57-84.5000113.9
459Y31.5Very low33.7Very low234 Ų234153.1 Ų153.192%0.91882%0.818SS**  -168.8149126.1-130.4-108000112.5
460S32.3Very low33.4Very low104 Ų104149.2 Ų149.273%0.72781%0.805SS**  trans-100.1161.5173.1-87.10000112.2
461P43.1Very low32.9Very low116 Ų116154.4 Ų154.475%0.75382%0.815SS**  trans-92.6-177.6-157.539.2-39.1000114.1
462P43.8Very low32.6Very low131 Ų131148.3 Ų148.385%0.85181%0.807SS**  -141.3169100.537.9-24000116.9
463A30.4Very low32.4Very low98 Ų98146.7 Ų146.781%0.8181%0.806SS**  trans-45149.3-176.800000119.2
464A32.3Very low32.4Very low89 Ų89147.4 Ų147.474%0.73680%0.802SS**  177.8135.696.600000116
465R30.6Very low32.3Very low205 Ų205143.2 Ų143.277%0.77480%0.796SS**  trans52.4115.3139.5-70.2-174.7173.7-166.60.3122.8
466R30.9Very low32.3Very low204 Ų204143.5 Ų143.577%0.7779%0.788SS**  90.8134.8122.1-71.1177.7177.5-162.8-2.3121.4
467S31.7Very low32.2Very low120 Ų120136.3 Ų136.384%0.83978%0.775SS**  trans63.8148157.9-75.10000119.3
468R31.3Very low32.2Very low237 Ų237138 Ų13889%0.89478%0.777SS**  cis157.3115.1-29.3170.6178.2-171-178.33.6105.9
469G30Very low32.4Very low75 Ų75135.7 Ų135.777%0.77377%0.773SS**  trans80.5165.2167.600000115.8
470S29.1Very low32.5Very low95 Ų95135.9 Ų135.966%0.66477%0.772SS**  cis-169.5125.1-12.3-158.70000110.6
471W28.7Very low32.7Very low253 Ų253143 Ų14396%0.95878%0.783SS**  trans64160.9160.9-57.823.6000114.8
472G26.4Very low32.2Very low66 Ų66141 Ų14168%0.6878%0.784SS**  cis156146.4-4.600000109.5
473S30Very low31.7Very low110 Ų110139.4 Ų139.477%0.76978%0.781SS**  trans63.2155.9176.2-69.40000117
474D32.4Very low32Very low128 Ų128140 Ų14068%0.68479%0.787SS**  cis-155.4173.1-25.4-98.8-39.1000108.3
475D33.3Very low32.2Very low142 Ų142139.4 Ų139.476%0.75979%0.789SS**  trans56.9153.1137.468.8-0.9000127.6
476D33.3Very low32.4Very low133 Ų133133.3 Ų133.371%0.71179%0.79SS**  trans65.497.5158.6-85.3-43.5000126.1
477S31.9Very low32.6Very low95 Ų95134.7 Ų134.766%0.66480%0.795SS**  39.6138.5110.684.70000123.9
478S33.2Very low32.7Very low104 Ų104140.1 Ų140.173%0.72780%0.797SS**  trans114.9141.3133.584.10000121
479S34.3Very low32.8Very low110 Ų110132.9 Ų132.977%0.76980%0.797SS**  trans64.7127.6164.174.20000118.6
480R34.7Very low32.9Very low238 Ų238132.9 Ų132.990%0.89880%0.797SS**  cis75.298.248.3-77.8-165.8173.2-170.50.4116.3
481R35.2Very low33Very low253 Ų253134 Ų13496%0.95581%0.811SS**  trans154137.1140.1-84.3159179-177.90.4106.6
482G32.2Very low33.3Very low75 Ų75125.8 Ų125.877%0.77381%0.805SS**  85.3135.756.400000109.2
483A35.1Very low33.5Very low97 Ų97126.5 Ų126.580%0.80281%0.813SS**  cis-168.1170.5-4.900000109.7
484A36.2Very low33.6Very low112 Ų112125.6 Ų125.693%0.92682%0.821SS**  trans65.4148.9154.100000121.6
485G35.9Very low33.5Very low76 Ų76123.4 Ų123.478%0.78483%0.828SS**  trans158.6119.8160.400000115.6
486G35.6Very low33.4Very low76 Ų76120.5 Ų120.578%0.78483%0.832SS**  trans-53.6151.6-176.400000117.6
487R33.4Very low33.2Very low233 Ų233118.1 Ų118.188%0.87984%0.839SS**  84.6116.963.4-86.4-165.3173.6-159-0.7116
488R33.8Very low33.2Very low234 Ų234117.1 Ų117.188%0.88384%0.843SS**  trans89.2135.2147.6-73.6-176.4166.2-179.1-5121.2
489G34.3Very low33.1Very low86 Ų86120 Ų12089%0.88785%0.85SS**  trans94.4131.5166.400000113.8
490G31.7Very low33Very low75 Ų75126.8 Ų126.877%0.77386%0.859SS**  cis154.5115.1-7.400000112.3
491A32.4Very low32.8Very low117 Ų117121.5 Ų121.597%0.96785%0.853SS**  trans65.7147.5175.200000118
492G33.6Very low32.9Very low81 Ų81116.9 Ų116.984%0.83585%0.847SS**  trans140.986.4167.700000116.2
493G32.2Very low33Very low82 Ų82122.7 Ų122.785%0.84585%0.851SS**  trans-3.2128.2165.700000122.6
494G30.2Very low33.4Very low91 Ų91123.5 Ų123.594%0.93885%0.848SS**  74.3119.3121.200000120.1
495G30.5Very low33.5Very low81 Ų81124.1 Ų124.184%0.83584%0.843SS**  trans141114151.500000116.1
496G30.8Very low33.2Very low82 Ų82129.9 Ų129.985%0.84585%0.846SS**  trans75.6110.813800000120.1
497G30.9Very low33Very low83 Ų83137.3 Ų137.386%0.85685%0.852SS**  87.680121.100000119.1
498G30.1Very low33.2Very low73 Ų73132.7 Ų132.775%0.75385%0.85SS**  trans83.8113.9137.800000118.7
499L31.1Very low33.2Very low166 Ų166130.8 Ų130.887%0.86985%0.851SS**  trans-153.8141.6130.8-151.963.5000110.5
500W32.1Very low33.1Very low252 Ų252136.6 Ų136.696%0.95585%0.848SS**  trans-82.9132.9174-69.563.1000109.3
501V32Very low33.3Very low126 Ų126141.7 Ų141.776%0.76485%0.851SS**  trans-140.2135.6166.21760000109
502D36.7Very low33.6Very low156 Ų156141.3 Ų141.383%0.83484%0.839SS**  trans-58141.6-172.3-58.6-88.1000115.3
503K34.4Very low34.4Very low197 Ų197140.8 Ų140.886%0.85783%0.834SS**  trans-134.6128.6157.3-86.3167.6-179.6162.50108.3
504P42.9Very low34.8Very low114 Ų114146 Ų14674%0.7484%0.836SS**PPolyproline II helixtrans-67.5149.9176.529.1-34.5000110.5K506P504-K506 PolarHBondContact O-N 2.85Å
505P39.6Very low35.3Very low125 Ų125151.4 Ų151.481%0.81283%0.834SS**PPolyproline II helixtrans-65.7123.5179.526.7-33.3000110.5
506K29.2Very low35.8Very low198 Ų198153.7 Ų153.786%0.86183%0.834SS**PPolyproline II helixtrans-70.8128.2166.1-77-172.2171.8-170.50108.9P504 T508P504-K506 PolarHBondContact O-N 2.85Å; K506-T508 PolarHBondContact O-N 3.13Å
507Y31.9Very low36.5Very low232 Ų232152.7 Ų152.791%0.9182%0.824SS**PPolyproline II helixtrans-58.4133.8161.3-88.1-104.7000109.5
508T37.8Very low37Very low135 Ų135155.3 Ų155.383%0.82883%0.825SS**PPolyproline II helixtrans-95.6117.9162.848.10000108.7K506K506-T508 PolarHBondContact O-N 3.13Å
509E31.9Very low37.3Very low195 Ų195163.6 Ų163.691%0.91183%0.834SS**PPolyproline II helixtrans-59139.5174.6-168164.9-166.500111.1
510Y32.3Very low37.3Very low208 Ų208167.2 Ų167.282%0.81684%0.836SS**  trans-96.6104.9-179.1-178.2-91.7000109.7P512Y510-P512 HydrophobicContact CE1-CB 4.33Å
511E36.9Very low37.4Very low181 Ų181162.9 Ų162.985%0.84683%0.832SS**  trans-85.9120.5174.9-163.1179.2169.100110.2G513E511-G513 PolarHBondContact O-N 3.27Å
512P38Very low37.4Very low109 Ų109164.6 Ų164.671%0.70883%0.831SS**  trans-84.9102.8-172.732.2-33.3000111.6Y510Y510-P512 HydrophobicContact CE1-CB 4.33Å
513G51Low37.2Very low71 Ų71167.2 Ų167.273%0.73283%0.831SS**  trans-168.1-14.2179.100000120.6E511E511-G513 PolarHBondContact O-N 3.27Å
514Q40.2Very low37.1Very low192 Ų192162.7 Ų162.790%0.89782%0.824SS**  trans-128.5114.7-171.9-69-173.8-4.600114.2
515K41.6Very low36.6Very low204 Ų204163.1 Ų163.189%0.88782%0.82SS**PPolyproline II helixtrans-74127.7168.1-69.3178.71781770109.9G517K515-G517 PolarHBondContact O-N 3.41Å
516P41.2Very low36.3Very low129 Ų129164.9 Ų164.984%0.83882%0.815SS**PPolyproline II helixtrans-72.3122.5169.2-14.829.9000110.8
517G44.1Very low36.3Very low61 Ų61160.5 Ų160.563%0.62981%0.81SS**PPolyproline II helixtrans-74.6158.6169.200000112.4K515 R519K515-G517 PolarHBondContact O-N 3.41Å; G517-R519 PolarHBondContact O-N 3.28Å
518P42.8Very low36.4Very low137 Ų137154 Ų15489%0.8980%0.798SS**PPolyproline II helixtrans-70.2129.8-175.128.4-34.2000112
519R34.8Very low36.5Very low247 Ų247159 Ų15993%0.93280%0.802SS**PPolyproline II helixtrans-76135.5171.2-92.6-177.2168.5151.2-2.3111G517G517-R519 PolarHBondContact O-N 3.28Å
520R32.8Very low36.7Very low243 Ų243155.8 Ų155.892%0.91780%0.801SS**PPolyproline II helixtrans-81.1126.4-179.2-169.5-176.8-169.6-162.44.5109.6
521N33.8Very low37Very low161 Ų161150.3 Ų150.386%0.86180%0.798SS**PPolyproline II helixtrans-78146.5167-78.3-15000110
522E32.2Very low37.3Very low161 Ų161148.2 Ų148.275%0.75280%0.798SS**  trans-121.3158.5179.5-154.4179.8154.700110.9
523Y32.6Very low37.5Very low212 Ų212147.8 Ų147.883%0.83180%0.798SS**  trans79.5142.9-180-78.9-86.3000119.2
524S32.1Very low37.1Very low102 Ų102151 Ų15171%0.71380%0.803SS**  trans-142.1144.4-153.5142.40000108
525D32.3Very low37.1Very low123 Ų123148.2 Ų148.266%0.65880%0.799SS**  trans-154.7135.8141.9-130.3-16.5000114.2
526K31.8Very low37Very low161 Ų161149 Ų14970%0.781%0.81SS**  trans53.7104.6154.6-72.5149.4-170139.80122.2
527S31Very low36.8Very low107 Ų107150 Ų15075%0.74881%0.809SS**  55.1114.4116.1-168.90000119.9
528S33.9Very low36.4Very low95 Ų95154.7 Ų154.766%0.66482%0.818SS**  171.2131.899.4-70.30000113.5
529R38.5Very low36Very low240 Ų240155.7 Ų155.791%0.90682%0.815SS**  trans47.3117148.2-56.7173.6174.8-168.1-4.1117.6
530S36.5Very low36.1Very low127 Ų127150.3 Ų150.389%0.88881%0.808SS**  -173.9163.151.1460000110.1
531A37.8Very low36.3Very low93 Ų93144.5 Ų144.577%0.76980%0.801SS**  trans-123.1144.2-176.500000111.9
532T44.5Very low36.5Very low138 Ų138143.4 Ų143.485%0.84780%0.797SS**  trans166143.6153.735.10000107.3
533S42.4Very low36.8Very low100 Ų100142.1 Ų142.170%0.69980%0.8SS**  cis-172.9134.8-20.844.30000106.5
534V41.8Very low37.1Very low139 Ų139136.8 Ų136.884%0.84280%0.798SS**  trans-88.8116.1168.8175.50000108.3
535V40.6Very low37.5Very low132 Ų132139.7 Ų139.780%0.881%0.805SS**  trans-143.8132.2156.8-179.10000106.1
536I38.9Very low38Very low221 Ų221141.2 Ų141.2100%1.13382%0.818SS**  cis-112.90-0.4-159.8167.2000111.6

Retrieved 536 of 536 residues in 114.2 ms (Link to these results)

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