A0A3Q0KQE4_SCHMA Loading...

Protein FAM60A

AlphaFold DB , UniProt , Accession A0A3Q0KQE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 666 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.3Low45.2Very low239 Ų239108.5 Ų108.5100%1.17787%0.865SS**  0153.80-67.6164.47700108.5
2S44.9Very low44.5Very low130 Ų130106.5 Ų106.591%0.90987%0.865SS**  trans-1.5143.9166.8-430000121.8
3G46.7Very low44.3Very low65 Ų65104.7 Ų104.767%0.6786%0.864SS**  trans122.994.7170.500000111.5
4S48.3Very low44.2Very low134 Ų134105 Ų10594%0.93786%0.857SS**  60.8121.856.4-46.90000112.7
5G44.4Very low44.2Very low70 Ų70106.8 Ų106.872%0.72286%0.861SS**  cis145.398.9-5.400000112.9
6T51.8Low44.2Very low152 Ų152104.8 Ų104.893%0.93386%0.856SS**  trans-174.4156.8167.324.60000107.6
7G40.8Very low43.9Very low80 Ų80103.9 Ų103.983%0.82586%0.86SS**  cis154.659.1-2.300000113.4
8G45.7Very low43.8Very low82 Ų82102.4 Ų102.485%0.84586%0.856SS**  trans168.5142.8171.900000113.8
9G38.7Very low44.2Very low82 Ų82103.3 Ų103.385%0.84586%0.855SS**  cis138.592.7-6.800000113.2
10G43Very low44.2Very low84 Ų84101.9 Ų101.987%0.86685%0.85SS**  trans92.8139.4175.600000114.3
11G42.3Very low44.7Very low76 Ų76108.7 Ų108.778%0.78485%0.854SS**  cis-172.7133.1-6.900000112.7G13G11-G13 PolarHBondContact O-N 3.43Å
12G36.5Very low45Very low84 Ų8499.9 Ų99.987%0.86682%0.82SS**  trans-75.9100.8176.500000112.1S14G12-S14 PolarHBondContact O-N 3.01Å
13G42Very low45.7Very low83 Ų83101.2 Ų101.286%0.85681%0.811SS**  trans-9080.6179.800000113.8G11G11-G13 PolarHBondContact O-N 3.43Å
14S43.1Very low46.3Very low109 Ų109102.9 Ų102.976%0.76280%0.8SS**  trans-76.4165175.1-740000113.9G12G12-S14 PolarHBondContact O-N 3.01Å
15S43.7Very low47.1Very low132 Ų132104.3 Ų104.392%0.92379%0.785SS**  trans76.6149.8165.782.40000118.3
16G45.6Very low48.5Very low75 Ų75101.1 Ų101.177%0.77375%0.752SS**  trans138.853.8177.500000116G18G16-G18 PolarHBondContact O-N 3.05Å
17G37.6Very low49.7Very low90 Ų90102 Ų10293%0.92875%0.745SS**  trans-66.1101.2-177.100000114.5
18G43.4Very low51.9Low76 Ų76105.5 Ų105.578%0.78474%0.744SS**  trans-101110.9-179.400000114.2G16 G20G16-G18 PolarHBondContact O-N 3.05Å; G18-G20 PolarHBondContact O-N 2.66Å
19S50.4Low54Low119 Ų119101.9 Ų101.983%0.83271%0.706SS**  trans-68.2126.7-174.5-173.80000115.1R21S19-R21 PolarHBondContact O-N 2.95Å; S19-R21 VanDerWaalsContact O-N 3.13Å
20G44Very low56.6Low75 Ų7598.1 Ų98.177%0.77367%0.667SS**  trans73.311.2135.800000119.8G18 A22G18-G20 PolarHBondContact O-N 2.66Å; G20-A22 PolarHBondContact O-N 2.89Å; G20-A22 VanDerWaalsContact O-N 3.15Å
21R56.2Low59Low245 Ų24595.2 Ų95.293%0.92563%0.633SS**  trans-70.8110.2176.8-69-169.6179.5-161.71.4111.4S19 H23S19-R21 PolarHBondContact O-N 2.95Å; S19-R21 VanDerWaalsContact O-N 3.13Å; R21-H23 PolarHBondContact O-N 3.41Å
22A55.8Low61.5Low55 Ų5591.6 Ų91.646%0.45560%0.596SS.*  trans-57.9128.117600000111.4G20 F24G20-A22 PolarHBondContact O-N 2.89Å; G20-A22 VanDerWaalsContact O-N 3.15Å; A22-F24 HydrophobicContact CB-CE2 4.32Å; A22-F24 HydrophobicContact CB-CZ 4.45Å; A22-F24 WeakPolarHBondContact O-CD2 3.22Å; A22-F24 WeakPolarHBondContact O-CE2 3.28Å; A22-F24 PolarHBondContact O-N 3.36Å
23H59.9Low64.2Low157 Ų15788.1 Ų88.173%0.72756%0.558SS**  trans-74.493-180-17596.7000110.7R21 R25R21-H23 PolarHBondContact O-N 3.41Å; H23-R25 PolarHBondContact O-N 2.9Å
24F58.3Low66.5Low101 Ų10185.6 Ų85.644%0.44353%0.533SS..  trans-73.9109.6173.7-60.5-87.2000109.7A22 S26 S37A22-F24 HydrophobicContact CB-CE2 4.32Å; A22-F24 HydrophobicContact CB-CZ 4.45Å; A22-F24 WeakPolarHBondContact O-CD2 3.22Å; A22-F24 WeakPolarHBondContact O-CE2 3.28Å; A22-F24 PolarHBondContact O-N 3.36Å; F24-S26 PolarHBondContact O-N 2.89Å; F24-S37 WeakPolarHBondContact CD1-O 3.16Å
25R65.8Low68.6Low163 Ų16381.9 Ų81.962%0.61551%0.506SS*.SBendtrans-61.1-30.9178.8-80.1-160.3177.6172.7-7.1114H23 S40 F42H23-R25 PolarHBondContact O-N 2.9Å; R25-S40 WeakPolarHBondContact CD-O 3.21Å; R25-S40 PolarHBondContact NE-O 3.42Å; R25-F42 HydrophobicContact CB-CD2 4.24Å
26S73.7Confident70.5Confident4 Ų481.6 Ų81.63%0.02849%0.488CS..  trans-101.1120.2175-170.40000110.9F24 L28 G29 D66F24-S26 PolarHBondContact O-N 2.89Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-G29 PolarHBondContact OG-N 3.21Å; S26-G29 PolarHBondContact OG-O 3.22Å; S26-D66 WeakPolarHBondContact CB-OD2 3.46Å; S26-D66 WeakPolarHBondContact OG-CB 3.45Å; S26-D66 PolarHBondContact OG-OD2 3.19Å
27Q78.1Confident71.4Confident171 Ų17179.3 Ų79.380%0.79946%0.46SS*.SBendtrans-68.1-36.2174.2-62.2-171.212.600111.9K36Q27-K36 WeakPolarHBondContact O-CE 3.49Å; Q27-K36 PolarHBondContact O-NZ 2.89Å
28L85.6Confident72.3Confident153 Ų15379.3 Ų79.380%0.80145%0.446SS*.SBendtrans-82.6-35179.9-58.7-179.9000111.8S26 K36S26-L28 VanDerWaalsContact C-N 3.35Å; L28-K36 VanDerWaalsContact O-CE 3.25Å; L28-K36 WeakPolarHBondContact O-CE 3.46Å
29G89.8Confident73Confident5 Ų577.2 Ų77.25%0.05242%0.419CS..  trans92.1-172.2-169.900000111.6S26 C31S26-G29 PolarHBondContact OG-N 3.21Å; S26-G29 PolarHBondContact OG-O 3.22Å; G29-C31 PolarHBondContact O-N 3.49Å
30C93.1Very high73.5Confident3 Ų374.9 Ų74.92%0.0240%0.403CS..  trans-66.9126.5-174.3-174.70000112.8I32 G34 T35 F42 D66 C68 C71C30-I32 PolarHBondContact O-N 2.94Å; C30-G34 VanDerWaalsContact O-CA 3.27Å; C30-G34 WeakPolarHBondContact O-CA 3.25Å; C30-G34 PolarHBondContact O-N 3.45Å; C30-T35 PolarHBondContact N-O 3.26Å; C30-F42 HydrophobicContact CB-CE1 4.17Å; C30-D66 CarbonylContact C-O 3.57Å; C30-D66 WeakPolarHBondContact CA-O 3.42Å; C30-D66 PolarHBondContact SG-O 2.92Å; C30-C68 HydrophobicContact CB-CB 3.98Å; C30-C68 PolarHBondContact SG-N 3.15Å; C30-C68 VanDerWaalsContact SG-N 3.38Å; C30-C71 VanDerWaalsContact SG-SG 3.61Å
31C93.9Very high74.9Confident23 Ų2380.9 Ų80.916%0.15540%0.402CS..THydrogen-bonded Turntrans-65-23.6-178.562.60000114.6G29 R63 S64 D66G29-C31 PolarHBondContact O-N 3.49Å; C31-R63 PolarHBondContact O-NH1 2.99Å; C31-S64 WeakPolarHBondContact CB-O 3.44Å; C31-D66 PolarHBondContact N-O 2.91Å; C31-D66 PolarHBondContact SG-O 2.99Å; C31-D66 VanDerWaalsContact SG-O 3.37Å
32I94.6Very high76.3Confident0 Ų070 Ų700%036%0.362CS..THydrogen-bonded Turntrans-83.4-63.7175.4-57.6-59.9000111C30 F52 F56 R63 L67 C71 D93C30-I32 PolarHBondContact O-N 2.94Å; I32-F52 HydrophobicContact CD1-CD1 4.38Å; I32-F52 HydrophobicContact CD1-CD2 3.98Å; I32-F52 HydrophobicContact CD1-CE1 4.48Å; I32-F52 HydrophobicContact CD1-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CG 4.15Å; I32-F52 HydrophobicContact CD1-CZ 4.35Å; I32-F56 HydrophobicContact CD1-CD2 3.87Å; I32-F56 HydrophobicContact CD1-CE2 4.02Å; I32-F56 HydrophobicContact CG1-CD2 4.33Å; I32-F56 HydrophobicContact CG1-CE2 4.03Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CD1 3.88Å; I32-F56 HydrophobicContact CG2-CD2 4.16Å; I32-F56 HydrophobicContact CG2-CE1 3.81Å; I32-F56 HydrophobicContact CG2-CE2 4.09Å; I32-F56 HydrophobicContact CG2-CG 4.08Å; I32-F56 HydrophobicContact CG2-CZ 3.92Å; I32-R63 HydrophobicContact CD1-CB 3.85Å; I32-R63 HydrophobicContact CD1-CG 4.15Å; I32-L67 HydrophobicContact CG1-CD2 3.61Å; I32-C71 HydrophobicContact CB-CB 4.38Å; I32-D93 PolarHBondContact O-N 3.49Å
33C93.4Very high77.9Confident11 Ų1170 Ų707%0.07436%0.355CS..THydrogen-bonded Turntrans-99.710.4-169.571.30000115.4T35 V91C33-T35 PolarHBondContact O-N 3.24Å; C33-T35 PolarHBondContact O-OG1 2.67Å; C33-T35 VanDerWaalsContact SG-CB 3.53Å; C33-T35 PolarHBondContact SG-OG1 2.87Å; C33-V91 WeakPolarHBondContact CA-O 3.28Å; C33-V91 HydrophobicContact CB-CG1 4.23Å; C33-V91 WeakPolarHBondContact CB-O 3.44Å
34G90.3Very high79.4Confident31 Ų3165.5 Ų65.532%0.3234%0.342SS..  trans62.210-178.900000115.1C30 K36C30-G34 VanDerWaalsContact O-CA 3.27Å; C30-G34 WeakPolarHBondContact O-CA 3.25Å; C30-G34 PolarHBondContact O-N 3.45Å; G34-K36 PolarHBondContact O-N 3.03Å
35T87Confident81.1Confident31 Ų3161.1 Ų61.119%0.1932%0.324CS..  trans-88.7108.6-169.4-65.70000111.9C30 C33 S37 K95C30-T35 PolarHBondContact N-O 3.26Å; C33-T35 PolarHBondContact O-N 3.24Å; C33-T35 PolarHBondContact O-OG1 2.67Å; C33-T35 VanDerWaalsContact SG-CB 3.53Å; C33-T35 PolarHBondContact SG-OG1 2.87Å; T35-S37 PolarHBondContact O-N 3.39Å; T35-K95 WeakPolarHBondContact OG1-CD 3.33Å; T35-K95 WeakPolarHBondContact OG1-CE 3.29Å
36K83.6Confident82.4Confident126 Ų12661 Ų6155%0.54833%0.33SS..  trans-67.674.2156.7-57.5-163.2-171.2-157.50109.9Q27 L28 G34Q27-K36 WeakPolarHBondContact O-CE 3.49Å; Q27-K36 PolarHBondContact O-NZ 2.89Å; L28-K36 VanDerWaalsContact O-CE 3.25Å; L28-K36 WeakPolarHBondContact O-CE 3.46Å; G34-K36 PolarHBondContact O-N 3.03Å
37S64.4Low83.3Confident27 Ų2770.6 Ų70.619%0.18937%0.366CS..  trans-73.8141.6171.549.30000109.9F24 T35 S39 F42 C68F24-S37 WeakPolarHBondContact CD1-O 3.16Å; T35-S37 PolarHBondContact O-N 3.39Å; S37-S39 PolarHBondContact O-N 3.06Å; S37-S39 WeakPolarHBondContact OG-CB 3.39Å; S37-F42 WeakPolarHBondContact O-CE2 3.48Å; S37-F42 VanDerWaalsContact OG-CZ 3.29Å; S37-F42 WeakPolarHBondContact OG-CZ 3.36Å; S37-C68 WeakPolarHBondContact OG-CB 3.43Å
38S56.2Low84.1Confident90 Ų9064 Ų6463%0.62933%0.334SS*.  trans-67.521.6164.650.30000113.3S40S38-S40 PolarHBondContact O-N 2.94Å
39S59Low84.5Confident32 Ų3258.9 Ų58.922%0.22431%0.313CS..  trans-68.6102.8170.7-166.10000108.5S37 R41 F42S37-S39 PolarHBondContact O-N 3.06Å; S37-S39 WeakPolarHBondContact OG-CB 3.39Å; S39-R41 PolarHBondContact O-N 3.22Å; S39-R41 PolarHBondContact OG-O 3.41Å; S39-F42 VanDerWaalsContact O-CD2 3.24Å; S39-F42 WeakPolarHBondContact O-CD2 3.44Å
40S60.5Low84.7Confident70 Ų7066 Ų6649%0.4935%0.345SS..SBendtrans-53-17.6167.1173.10000112.5R25 S38R25-S40 WeakPolarHBondContact CD-O 3.21Å; R25-S40 PolarHBondContact NE-O 3.42Å; S38-S40 PolarHBondContact O-N 2.94Å
41R72.8Confident84.8Confident200 Ų20067.2 Ų67.276%0.75535%0.351SS*.  trans-113.174.4177.8-50-172.587.1156.66110.6S39S39-R41 PolarHBondContact O-N 3.22Å; S39-R41 PolarHBondContact OG-O 3.41Å
42F85.5Confident84.9Confident18 Ų1866.1 Ų66.18%0.07934%0.343CS..  trans-71153.2152.4-76.8-85.9000109.7R25 C30 S37 S39 D66 L67 C68R25-F42 HydrophobicContact CB-CD2 4.24Å; C30-F42 HydrophobicContact CB-CE1 4.17Å; S37-F42 WeakPolarHBondContact O-CE2 3.48Å; S37-F42 VanDerWaalsContact OG-CZ 3.29Å; S37-F42 WeakPolarHBondContact OG-CZ 3.36Å; S39-F42 VanDerWaalsContact O-CD2 3.24Å; S39-F42 WeakPolarHBondContact O-CD2 3.44Å; F42-D66 HydrophobicContact CB-CB 4.14Å; F42-D66 HydrophobicContact CD1-CB 3.67Å; F42-D66 HydrophobicContact CE1-CB 4.36Å; F42-D66 HydrophobicContact CG-CB 4.14Å; F42-L67 CarbonylContact C-O 3.19Å; F42-L67 VanDerWaalsContact CA-O 3.32Å; F42-L67 WeakPolarHBondContact CA-O 3.5Å; F42-L67 WeakPolarHBondContact CD1-O 3.39Å; F42-C68 HydrophobicContact CD1-CB 4.3Å; F42-C68 HydrophobicContact CE1-CB 3.94Å
43T90.1Very high84.9Confident53 Ų5367 Ų6733%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-126.7136.6179.1-53.80000109S45 Y48 L67T43-S45 PolarHBondContact O-N 2.88Å; T43-Y48 HydrophobicContact CG2-CE2 4.18Å; T43-L67 PolarHBondContact N-O 2.85Å; T43-L67 WeakPolarHBondContact O-CB 3.5Å; T43-L67 PolarHBondContact O-N 3.3Å
44S91.9Very high84.9Confident63 Ų6368.4 Ų68.444%0.44137%0.365SS..EExtended strand (participates in β ladder)trans-56.7136.7174.8172.30000111.5Q46S44-Q46 PolarHBondContact O-N 3Å; S44-Q46 WeakPolarHBondContact OG-CB 3.41Å; S44-Q46 PolarHBondContact OG-N 3.04Å
45S94Very high85.2Confident9 Ų967 Ų676%0.06335%0.349CS..G310 helixtrans-62.3-22.1176.262.60000113.7T43 R47 Y48 A49 G65T43-S45 PolarHBondContact O-N 2.88Å; S45-R47 PolarHBondContact O-N 2.82Å; S45-R47 VanDerWaalsContact O-N 3.11Å; S45-Y48 CarbonylContact O-C 3.53Å; S45-Y48 PolarHBondContact O-N 3.13Å; S45-A49 PolarHBondContact O-N 2.92Å; S45-G65 WeakPolarHBondContact CB-O 3.3Å; S45-G65 PolarHBondContact N-O 2.82Å; S45-G65 PolarHBondContact OG-N 2.87Å; S45-G65 PolarHBondContact OG-O 3.04Å
46Q92.4Very high85.6Confident160 Ų16065.5 Ų65.575%0.74834%0.341SS*.G310 helixtrans-52.9-37.9-171-169.4-18012.100113.4S44 Y48S44-Q46 PolarHBondContact O-N 3Å; S44-Q46 WeakPolarHBondContact OG-CB 3.41Å; S44-Q46 PolarHBondContact OG-N 3.04Å; Q46-Y48 PolarHBondContact O-N 2.77Å
47R92.3Very high86.1Confident207 Ų20759.6 Ų59.678%0.78132%0.316SS*.G310 helixtrans-76.22.8178.9-62.9-170.6-179.1-162.1-0115.1S45S45-R47 PolarHBondContact O-N 2.82Å; S45-R47 VanDerWaalsContact O-N 3.11Å
48Y95Very high87.5Confident33 Ų3363 Ų6313%0.12934%0.337CS..THydrogen-bonded Turntrans-142.8-4.4-174.4-57.5-76.3000113.7T43 S45 Q46 E50 H51 F52 L67 V72 V75 K76T43-Y48 HydrophobicContact CG2-CE2 4.18Å; S45-Y48 CarbonylContact O-C 3.53Å; S45-Y48 PolarHBondContact O-N 3.13Å; Q46-Y48 PolarHBondContact O-N 2.77Å; Y48-E50 VanDerWaalsContact C-N 3.33Å; Y48-E50 PolarHBondContact O-N 2.71Å; Y48-H51 WeakPolarHBondContact O-CB 3.44Å; Y48-H51 PolarHBondContact O-N 2.72Å; Y48-F52 WeakPolarHBondContact O-CD1 3.48Å; Y48-F52 VanDerWaalsContact O-CE1 3.31Å; Y48-F52 WeakPolarHBondContact O-CE1 3.45Å; Y48-F52 PolarHBondContact O-N 3.11Å; Y48-L67 HydrophobicContact CD2-CD1 3.55Å; Y48-L67 HydrophobicContact CE2-CD1 4.29Å; Y48-L67 HydrophobicContact CG-CD1 4.12Å; Y48-V72 HydrophobicContact CE1-CG1 4.48Å; Y48-V72 HydrophobicContact CE2-CG1 4.2Å; Y48-V72 HydrophobicContact CE2-CG2 4.26Å; Y48-V72 WeakPolarHBondContact OH-CG1 3.49Å; Y48-V75 HydrophobicContact CD1-CB 4.22Å; Y48-V75 HydrophobicContact CD1-CG1 3.77Å; Y48-V75 HydrophobicContact CG-CG1 4.46Å; Y48-K76 WeakPolarHBondContact OH-CE 3.35Å
49A93.9Very high89.2Confident44 Ų4464.9 Ų64.936%0.36434%0.336SS..Hα-helixtrans-60.2-42-172.100000112.6S45 H51 F52S45-A49 PolarHBondContact O-N 2.92Å; A49-H51 PolarHBondContact O-N 3.4Å; A49-F52 HydrophobicContact CB-CD2 4.44Å; A49-F52 HydrophobicContact CB-CE2 4.35Å; A49-F52 WeakPolarHBondContact O-CB 3.39Å; A49-F52 PolarHBondContact O-N 3.37Å
50E94.4Very high90.9Very high154 Ų15463.4 Ų63.472%0.7233%0.325SS*.Hα-helixtrans-49.8-25.1169.853.3177.9-9500114.8Y48Y48-E50 VanDerWaalsContact C-N 3.33Å; Y48-E50 PolarHBondContact O-N 2.71Å
51H95.2Very high92.4Very high30 Ų3065.6 Ų65.614%0.13933%0.33CS..Hα-helixtrans-98.4-11.2179.4-60-14.6000113.3Y48 A49 G53 A54 C55 V75 W78Y48-H51 WeakPolarHBondContact O-CB 3.44Å; Y48-H51 PolarHBondContact O-N 2.72Å; A49-H51 PolarHBondContact O-N 3.4Å; H51-G53 PolarHBondContact O-N 2.84Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-C55 WeakPolarHBondContact O-CB 3.21Å; H51-C55 PolarHBondContact O-N 3.03Å; H51-V75 HydrophobicContact CB-CG1 3.83Å; H51-W78 HydrophobicContact CB-CE3 4.18Å; H51-W78 HydrophobicContact CB-CH2 4.42Å; H51-W78 HydrophobicContact CB-CZ3 3.68Å; H51-W78 AromaticContact CG-CZ3 3.66Å
52F96Very high93.4Very high0 Ų061.6 Ų61.60%033%0.328CS..Hα-helixtrans-65.7-39.3-171.1-68-11.2000113.1I32 Y48 A49 A54 C55 F56 G60 R63 L67 V75I32-F52 HydrophobicContact CD1-CD1 4.38Å; I32-F52 HydrophobicContact CD1-CD2 3.98Å; I32-F52 HydrophobicContact CD1-CE1 4.48Å; I32-F52 HydrophobicContact CD1-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CG 4.15Å; I32-F52 HydrophobicContact CD1-CZ 4.35Å; Y48-F52 WeakPolarHBondContact O-CD1 3.48Å; Y48-F52 VanDerWaalsContact O-CE1 3.31Å; Y48-F52 WeakPolarHBondContact O-CE1 3.45Å; Y48-F52 PolarHBondContact O-N 3.11Å; A49-F52 HydrophobicContact CB-CD2 4.44Å; A49-F52 HydrophobicContact CB-CE2 4.35Å; A49-F52 WeakPolarHBondContact O-CB 3.39Å; A49-F52 PolarHBondContact O-N 3.37Å; F52-A54 PolarHBondContact O-N 3.12Å; F52-C55 PolarHBondContact O-N 2.91Å; F52-F56 HydrophobicContact CB-CD2 4.21Å; F52-F56 HydrophobicContact CD1-CD2 4.03Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CE1-CE2 4.29Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 PolarHBondContact O-N 3.21Å; F52-G60 VanDerWaalsContact CB-O 3.26Å; F52-G60 WeakPolarHBondContact CB-O 3.38Å; F52-G60 WeakPolarHBondContact CD2-O 3.49Å; F52-R63 HydrophobicContact CD2-CB 4.36Å; F52-R63 WeakPolarHBondContact CD2-O 3.3Å; F52-R63 WeakPolarHBondContact CE2-O 3.37Å; F52-L67 HydrophobicContact CE1-CD1 4.1Å; F52-L67 HydrophobicContact CE1-CD2 4.24Å; F52-L67 HydrophobicContact CZ-CD1 3.92Å; F52-L67 HydrophobicContact CZ-CD2 3.78Å; F52-L67 HydrophobicContact CZ-CG 4.21Å; F52-V75 HydrophobicContact CD1-CG2 4.39Å; F52-V75 HydrophobicContact CE1-CG2 4.3Å
53G94.8Very high93.8Very high19 Ų1963 Ų6320%0.19633%0.333CS..Hα-helixtrans-59.4-44.5177.300000113H51 G57H51-G53 PolarHBondContact O-N 2.84Å; G53-G57 CarbonylContact O-C 3.5Å; G53-G57 WeakPolarHBondContact O-CA 3.41Å; G53-G57 PolarHBondContact O-N 2.99Å
54A94.3Very high94Very high40 Ų4065.1 Ų65.133%0.33135%0.35SS..Hα-helixtrans-81.9-31.6-179.600000113.1H51 F52 W78 P85 N86H51-A54 PolarHBondContact O-N 3.03Å; F52-A54 PolarHBondContact O-N 3.12Å; A54-W78 HydrophobicContact CB-CH2 3.78Å; A54-W78 HydrophobicContact CB-CZ2 3.34Å; A54-P85 CarbonylContact O-C 3.58Å; A54-P85 WeakPolarHBondContact O-CA 3.22Å; A54-N86 PolarHBondContact O-N 3.34Å
55C96Very high94.1Very high0 Ų063.9 Ų63.90%035%0.347CS..Hα-helixtrans-78.5-42.2-179.7179.50000113.3H51 F52 W78 F88H51-C55 WeakPolarHBondContact O-CB 3.21Å; H51-C55 PolarHBondContact O-N 3.03Å; F52-C55 PolarHBondContact O-N 2.91Å; C55-W78 HydrophobicContact CB-CB 4.46Å; C55-W78 HydrophobicContact CB-CD2 3.85Å; C55-W78 HydrophobicContact CB-CE3 4.22Å; C55-W78 HydrophobicContact CB-CG 3.94Å; C55-F88 PolarHBondContact O-N 2.73Å
56F95.8Very high94Very high1 Ų165.9 Ų65.90%0.00436%0.357CS..Hα-helixtrans-116.4-3.7-172.8-55.2-68000113.9I32 F52 C74 V75 F88 V91 L92I32-F56 HydrophobicContact CD1-CD2 3.87Å; I32-F56 HydrophobicContact CD1-CE2 4.02Å; I32-F56 HydrophobicContact CG1-CD2 4.33Å; I32-F56 HydrophobicContact CG1-CE2 4.03Å; I32-F56 HydrophobicContact CG1-CZ 4.45Å; I32-F56 HydrophobicContact CG2-CD1 3.88Å; I32-F56 HydrophobicContact CG2-CD2 4.16Å; I32-F56 HydrophobicContact CG2-CE1 3.81Å; I32-F56 HydrophobicContact CG2-CE2 4.09Å; I32-F56 HydrophobicContact CG2-CG 4.08Å; I32-F56 HydrophobicContact CG2-CZ 3.92Å; F52-F56 HydrophobicContact CB-CD2 4.21Å; F52-F56 HydrophobicContact CD1-CD2 4.03Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CE1-CE2 4.29Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 PolarHBondContact O-N 3.21Å; F56-C74 HydrophobicContact CE1-CB 3.97Å; F56-C74 HydrophobicContact CZ-CB 4Å; F56-V75 HydrophobicContact CE2-CG2 3.66Å; F56-V75 HydrophobicContact CZ-CG2 3.81Å; F56-F88 HydrophobicContact CD1-CB 3.67Å; F56-F88 WeakPolarHBondContact CD1-O 3.45Å; F56-F88 HydrophobicContact CE1-CB 3.65Å; F56-V91 HydrophobicContact CD1-CB 4.41Å; F56-V91 HydrophobicContact CE1-CB 4.2Å; F56-V91 HydrophobicContact CE1-CG1 4.31Å; F56-L92 HydrophobicContact CB-CB 4.44Å; F56-L92 HydrophobicContact CB-CD1 3.97Å
57G93.9Very high94.1Very high2 Ų258.2 Ų58.22%0.02132%0.321CS..  trans91.1177-177.200000113.9G53 Q59 G60 N86G53-G57 CarbonylContact O-C 3.5Å; G53-G57 WeakPolarHBondContact O-CA 3.41Å; G53-G57 PolarHBondContact O-N 2.99Å; G57-Q59 PolarHBondContact O-N 2.81Å; G57-Q59 VanDerWaalsContact O-N 3.12Å; G57-G60 WeakPolarHBondContact O-CA 3.31Å; G57-G60 PolarHBondContact O-N 3.01Å; G57-N86 WeakPolarHBondContact CA-OD1 3.43Å
58P93.7Very high94.1Very high98 Ų9848.7 Ų48.764%0.63629%0.286SS*.Hα-helixtrans-54.7-36.3-172.4-28.535.6000114.1G60 I61P58-G60 PolarHBondContact O-N 3.38Å; P58-G60 VanDerWaalsContact O-N 3.09Å; P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 WeakPolarHBondContact O-CG1 3.34Å; P58-I61 PolarHBondContact O-N 3.07Å; P58-I61 VanDerWaalsContact O-N 3.07Å
59Q92.1Very high93.9Very high130 Ų13051.6 Ų51.661%0.60730%0.304SS*.Hα-helixtrans-64-12.8176.3-59.4-177.310.600114.2G57 R63 L92G57-Q59 PolarHBondContact O-N 2.81Å; G57-Q59 VanDerWaalsContact O-N 3.12Å; Q59-R63 WeakPolarHBondContact O-CG 3.39Å; Q59-R63 PolarHBondContact O-NE 2.93Å; Q59-L92 HydrophobicContact CB-CD1 4.05Å; Q59-L92 HydrophobicContact CB-CD2 4.01Å
60G93.8Very high93.9Very high0 Ų052.3 Ų52.30%031%0.31CS..Hα-helixtrans-82.1-27.2173.900000113.8F52 G57 P58 T62 R63F52-G60 VanDerWaalsContact CB-O 3.26Å; F52-G60 WeakPolarHBondContact CB-O 3.38Å; F52-G60 WeakPolarHBondContact CD2-O 3.49Å; G57-G60 WeakPolarHBondContact O-CA 3.31Å; G57-G60 PolarHBondContact O-N 3.01Å; P58-G60 PolarHBondContact O-N 3.38Å; P58-G60 VanDerWaalsContact O-N 3.09Å; G60-T62 VanDerWaalsContact C-N 3.28Å; G60-T62 PolarHBondContact O-N 3.49Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 2.95Å; G60-R63 VanDerWaalsContact O-N 3.11Å
61I93.8Very high93.9Very high117 Ų11745 Ų4560%0.628%0.276SS*.Hα-helixtrans-59.8-40.8-176.2-58.5173000110.8P58 R63P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 WeakPolarHBondContact O-CG1 3.34Å; P58-I61 PolarHBondContact O-N 3.07Å; P58-I61 VanDerWaalsContact O-N 3.07Å; I61-R63 PolarHBondContact O-N 3.45Å
62T93.8Very high93.8Very high116 Ų11644 Ų4471%0.71227%0.272SS*.THydrogen-bonded Turntrans-80.86.5-178.4560000114.1G60G60-T62 VanDerWaalsContact C-N 3.28Å; G60-T62 PolarHBondContact O-N 3.49Å
63R93.8Very high93.8Very high48 Ų4848.5 Ų48.518%0.18130%0.295CS..  trans-95.3117.2-176.3-53.9-56.6-179.8113.5-5.7111.4C31 I32 F52 Q59 G60 I61 D93C31-R63 PolarHBondContact O-NH1 2.99Å; I32-R63 HydrophobicContact CD1-CB 3.85Å; I32-R63 HydrophobicContact CD1-CG 4.15Å; F52-R63 HydrophobicContact CD2-CB 4.36Å; F52-R63 WeakPolarHBondContact CD2-O 3.3Å; F52-R63 WeakPolarHBondContact CE2-O 3.37Å; Q59-R63 WeakPolarHBondContact O-CG 3.39Å; Q59-R63 PolarHBondContact O-NE 2.93Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 2.95Å; G60-R63 VanDerWaalsContact O-N 3.11Å; I61-R63 PolarHBondContact O-N 3.45Å; R63-D93 IonicContact CZ-OD2 3.98Å; R63-D93 VanDerWaalsContact CZ-OD2 3.26Å; R63-D93 IonicContact NH1-OD1 2.8Å; R63-D93 PolarHBondContact NH1-OD1 3.16Å; R63-D93 IonicContact NH1-OD2 2.79Å; R63-D93 PolarHBondContact NH1-OD2 3Å; R63-D93 IonicContact NH2-OD2 2.69Å; R63-D93 PolarHBondContact NH2-OD2 3.39Å
64S94.1Very high93.8Very high96 Ų9648.4 Ų48.467%0.67129%0.292SS*.  trans-124165173.161.30000111.4C31C31-S64 WeakPolarHBondContact CB-O 3.44Å
65G92.7Very high93.8Very high38 Ų3846.5 Ų46.539%0.39228%0.276SS..SBendtrans111.5-136178.900000113S45S45-G65 WeakPolarHBondContact CB-O 3.3Å; S45-G65 PolarHBondContact N-O 2.82Å; S45-G65 PolarHBondContact OG-N 2.87Å; S45-G65 PolarHBondContact OG-O 3.04Å
66D92.8Very high93.8Very high50 Ų5051.4 Ų51.427%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-91.7138.6-170.9-75.8-63.3000114.4S26 C30 C31 F42S26-D66 WeakPolarHBondContact CB-OD2 3.46Å; S26-D66 WeakPolarHBondContact OG-CB 3.45Å; S26-D66 PolarHBondContact OG-OD2 3.19Å; C30-D66 CarbonylContact C-O 3.57Å; C30-D66 WeakPolarHBondContact CA-O 3.42Å; C30-D66 PolarHBondContact SG-O 2.92Å; C31-D66 PolarHBondContact N-O 2.91Å; C31-D66 PolarHBondContact SG-O 2.99Å; C31-D66 VanDerWaalsContact SG-O 3.37Å; F42-D66 HydrophobicContact CB-CB 4.14Å; F42-D66 HydrophobicContact CD1-CB 3.67Å; F42-D66 HydrophobicContact CE1-CB 4.36Å; F42-D66 HydrophobicContact CG-CB 4.14Å
67L93.5Very high93.8Very high0 Ų057.5 Ų57.50%032%0.32CS..EExtended strand (participates in β ladder)trans-105129.7167.7-63.2-179.3000111.6I32 F42 T43 Y48 F52 C71 V72I32-L67 HydrophobicContact CG1-CD2 3.61Å; F42-L67 CarbonylContact C-O 3.19Å; F42-L67 VanDerWaalsContact CA-O 3.32Å; F42-L67 WeakPolarHBondContact CA-O 3.5Å; F42-L67 WeakPolarHBondContact CD1-O 3.39Å; T43-L67 PolarHBondContact N-O 2.85Å; T43-L67 WeakPolarHBondContact O-CB 3.5Å; T43-L67 PolarHBondContact O-N 3.3Å; Y48-L67 HydrophobicContact CD2-CD1 3.55Å; Y48-L67 HydrophobicContact CE2-CD1 4.29Å; Y48-L67 HydrophobicContact CG-CD1 4.12Å; F52-L67 HydrophobicContact CE1-CD1 4.1Å; F52-L67 HydrophobicContact CE1-CD2 4.24Å; F52-L67 HydrophobicContact CZ-CD1 3.92Å; F52-L67 HydrophobicContact CZ-CD2 3.78Å; F52-L67 HydrophobicContact CZ-CG 4.21Å; L67-C71 HydrophobicContact CD2-CB 4.21Å; L67-V72 HydrophobicContact CB-CG2 3.77Å; L67-V72 HydrophobicContact CD1-CG2 3.99Å
68C92.9Very high93.9Very high6 Ų658 Ų584%0.04132%0.322CS..  trans-76.1156.3164.971.40000110.2C30 S37 F42 A70 C71 V72C30-C68 HydrophobicContact CB-CB 3.98Å; C30-C68 PolarHBondContact SG-N 3.15Å; C30-C68 VanDerWaalsContact SG-N 3.38Å; S37-C68 WeakPolarHBondContact OG-CB 3.43Å; F42-C68 HydrophobicContact CD1-CB 4.3Å; F42-C68 HydrophobicContact CE1-CB 3.94Å; C68-A70 PolarHBondContact O-N 3.33Å; C68-C71 PolarHBondContact O-N 3.33Å; C68-C71 VanDerWaalsContact SG-SG 3.67Å; C68-V72 PolarHBondContact O-N 3.26Å
69N91.5Very high94Very high94 Ų9456.2 Ų56.250%0.50331%0.306SS..Hα-helixtrans-52.4-33.6-178.6-171.650000113.7V72 L73N69-V72 PolarHBondContact O-N 2.95Å; N69-L73 VanDerWaalsContact O-CG 3.29Å; N69-L73 WeakPolarHBondContact O-CG 3.39Å; N69-L73 PolarHBondContact O-N 2.89Å
70A93Very high94Very high60 Ų6057.6 Ų57.650%0.49631%0.313SS..Hα-helixtrans-64.7-41.2176.900000113C68 L73 C74C68-A70 PolarHBondContact O-N 3.33Å; A70-L73 PolarHBondContact O-N 3.02Å; A70-C74 PolarHBondContact O-N 3.1Å; A70-C74 PolarHBondContact O-SG 2.98Å
71C94.2Very high93.8Very high0 Ų064.3 Ų64.30%034%0.338CS..Hα-helixtrans-72.6-34.4178.4-64.10000111.9C30 I32 L67 C68 L73 C74 V75C30-C71 VanDerWaalsContact SG-SG 3.61Å; I32-C71 HydrophobicContact CB-CB 4.38Å; L67-C71 HydrophobicContact CD2-CB 4.21Å; C68-C71 PolarHBondContact O-N 3.33Å; C68-C71 VanDerWaalsContact SG-SG 3.67Å; C71-L73 VanDerWaalsContact C-N 3.29Å; C71-L73 PolarHBondContact O-N 3.32Å; C71-C74 WeakPolarHBondContact O-CB 3.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-V75 PolarHBondContact O-N 3.48Å; C71-V75 VanDerWaalsContact O-N 3.13Å
72V94.4Very high93.6Very high10 Ų1061.6 Ų61.66%0.06134%0.339CS..Hα-helixtrans-59.5-41.9169.6176.10000110.9Y48 L67 C68 N69 V75 K76Y48-V72 HydrophobicContact CE1-CG1 4.48Å; Y48-V72 HydrophobicContact CE2-CG1 4.2Å; Y48-V72 HydrophobicContact CE2-CG2 4.26Å; Y48-V72 WeakPolarHBondContact OH-CG1 3.49Å; L67-V72 HydrophobicContact CB-CG2 3.77Å; L67-V72 HydrophobicContact CD1-CG2 3.99Å; C68-V72 PolarHBondContact O-N 3.26Å; N69-V72 PolarHBondContact O-N 2.95Å; V72-V75 PolarHBondContact O-N 2.97Å; V72-K76 HydrophobicContact CG1-CD 4.37Å; V72-K76 WeakPolarHBondContact O-CG 3.21Å; V72-K76 PolarHBondContact O-N 3.42Å
73L94.7Very high93.5Very high93 Ų9363.4 Ų63.449%0.48733%0.333SS..Hα-helixtrans-68-31.4175.9-71169.9000113.1N69 A70 C71 R77N69-L73 VanDerWaalsContact O-CG 3.29Å; N69-L73 WeakPolarHBondContact O-CG 3.39Å; N69-L73 PolarHBondContact O-N 2.89Å; A70-L73 PolarHBondContact O-N 3.02Å; C71-L73 VanDerWaalsContact C-N 3.29Å; C71-L73 PolarHBondContact O-N 3.32Å; L73-R77 WeakPolarHBondContact O-CB 3.49Å; L73-R77 PolarHBondContact O-N 3.34Å
74C95.2Very high93.2Very high18 Ų1866.5 Ų66.512%0.12235%0.349CS..Hα-helixtrans-61-52.9170.3-710000111.3F56 A70 C71 K76 R77 W78 F88F56-C74 HydrophobicContact CE1-CB 3.97Å; F56-C74 HydrophobicContact CZ-CB 4Å; A70-C74 PolarHBondContact O-N 3.1Å; A70-C74 PolarHBondContact O-SG 2.98Å; C71-C74 WeakPolarHBondContact O-CB 3.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C74-K76 PolarHBondContact O-N 2.9Å; C74-R77 PolarHBondContact O-N 3.12Å; C74-W78 WeakPolarHBondContact O-CB 3.49Å; C74-W78 PolarHBondContact O-N 3.37Å; C74-F88 HydrophobicContact CB-CB 4.42Å; C74-F88 HydrophobicContact CB-CD1 4.14Å; C74-F88 HydrophobicContact CB-CD2 3.88Å; C74-F88 HydrophobicContact CB-CE1 4.41Å; C74-F88 HydrophobicContact CB-CE2 4.15Å; C74-F88 HydrophobicContact CB-CG 3.88Å; C74-F88 HydrophobicContact CB-CZ 4.41Å; C74-F88 WeakPolarHBondContact O-CE2 3.38Å
75V95.3Very high93.1Very high0 Ų066.1 Ų66.10%034%0.344CS..Hα-helixtrans-61.6-43.1-179.9-177.60000111.4Y48 H51 F52 F56 C71 V72 R77 W78 L79Y48-V75 HydrophobicContact CD1-CB 4.22Å; Y48-V75 HydrophobicContact CD1-CG1 3.77Å; Y48-V75 HydrophobicContact CG-CG1 4.46Å; H51-V75 HydrophobicContact CB-CG1 3.83Å; F52-V75 HydrophobicContact CD1-CG2 4.39Å; F52-V75 HydrophobicContact CE1-CG2 4.3Å; F56-V75 HydrophobicContact CE2-CG2 3.66Å; F56-V75 HydrophobicContact CZ-CG2 3.81Å; C71-V75 PolarHBondContact O-N 3.48Å; C71-V75 VanDerWaalsContact O-N 3.13Å; V72-V75 PolarHBondContact O-N 2.97Å; V75-R77 PolarHBondContact O-N 3.28Å; V75-W78 WeakPolarHBondContact O-CB 3.33Å; V75-W78 PolarHBondContact O-N 3.28Å; V75-L79 WeakPolarHBondContact O-CG 3.26Å; V75-L79 PolarHBondContact O-N 3.38Å
76K95.6Very high93Very high102 Ų10268 Ų6844%0.44335%0.346SS..Hα-helixtrans-62.5-40.4175.4-72.4-172.3175.2-166.40112.8Y48 V72 C74 Q80Y48-K76 WeakPolarHBondContact OH-CE 3.35Å; V72-K76 HydrophobicContact CG1-CD 4.37Å; V72-K76 WeakPolarHBondContact O-CG 3.21Å; V72-K76 PolarHBondContact O-N 3.42Å; C74-K76 PolarHBondContact O-N 2.9Å; K76-Q80 VanDerWaalsContact O-CG 3.27Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 3.44Å; K76-Q80 VanDerWaalsContact O-N 3.11Å
77R95.8Very high92.9Very high130 Ų13070 Ų7049%0.49135%0.352SS..Hα-helixtrans-70.2-30.9176.7-179.1175.2-73.3176.3-1.8112.6L73 C74 V75 R81 F88L73-R77 WeakPolarHBondContact O-CB 3.49Å; L73-R77 PolarHBondContact O-N 3.34Å; C74-R77 PolarHBondContact O-N 3.12Å; V75-R77 PolarHBondContact O-N 3.28Å; R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 VanDerWaalsContact O-CG 3.31Å; R77-R81 WeakPolarHBondContact O-CG 3.33Å; R77-R81 PolarHBondContact O-N 3.02Å; R77-F88 HydrophobicContact CB-CE2 4.37Å; R77-F88 HydrophobicContact CB-CZ 4.2Å; R77-F88 HydrophobicContact CG-CE2 4.5Å; R77-F88 HydrophobicContact CG-CZ 4.04Å
78W96.3Very high93Very high13 Ų1371 Ų715%0.04936%0.356CS..Hα-helixtrans-67.4-47.5174.3173.779.1000111.2H51 A54 C55 C74 V75 Q80 R81 R83 Q84 F88H51-W78 HydrophobicContact CB-CE3 4.18Å; H51-W78 HydrophobicContact CB-CH2 4.42Å; H51-W78 HydrophobicContact CB-CZ3 3.68Å; H51-W78 AromaticContact CG-CZ3 3.66Å; A54-W78 HydrophobicContact CB-CH2 3.78Å; A54-W78 HydrophobicContact CB-CZ2 3.34Å; C55-W78 HydrophobicContact CB-CB 4.46Å; C55-W78 HydrophobicContact CB-CD2 3.85Å; C55-W78 HydrophobicContact CB-CE3 4.22Å; C55-W78 HydrophobicContact CB-CG 3.94Å; C74-W78 WeakPolarHBondContact O-CB 3.49Å; C74-W78 PolarHBondContact O-N 3.37Å; V75-W78 WeakPolarHBondContact O-CB 3.33Å; V75-W78 PolarHBondContact O-N 3.28Å; W78-Q80 VanDerWaalsContact C-N 3.3Å; W78-Q80 PolarHBondContact O-N 2.92Å; W78-R81 PolarHBondContact O-N 2.94Å; W78-R81 VanDerWaalsContact O-N 3.09Å; W78-R83 HydrophobicContact CH2-CB 3.88Å; W78-R83 HydrophobicContact CH2-CG 4.12Å; W78-R83 HydrophobicContact CZ2-CB 3.54Å; W78-R83 HydrophobicContact CZ2-CG 4.26Å; W78-R83 VanDerWaalsContact CZ2-O 3.29Å; W78-R83 WeakPolarHBondContact CZ2-O 3.45Å; W78-R83 HydrophobicContact CZ3-CG 4.38Å; W78-R83 PolarHBondContact NE1-O 3.05Å; W78-R83 PolarHBondContact O-N 3.08Å; W78-Q84 VanDerWaalsContact CD1-O 3.25Å; W78-Q84 PolarHBondContact NE1-O 3.43Å; W78-F88 HydrophobicContact CB-CD2 4.1Å; W78-F88 HydrophobicContact CB-CE2 3.94Å
79L94.6Very high93Very high59 Ų5974.6 Ų74.631%0.30938%0.378SS..Hα-helixtrans-55.9-43.3172.1-72.8171000112.3V75 R81V75-L79 WeakPolarHBondContact O-CG 3.26Å; V75-L79 PolarHBondContact O-N 3.38Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.9Å
80Q93.5Very high93Very high160 Ų16077.7 Ų77.775%0.74839%0.39SS*.THydrogen-bonded Turntrans-70.2-12.4178.2-73.3171.6-16.500114.9K76 W78K76-Q80 VanDerWaalsContact O-CG 3.27Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 3.44Å; K76-Q80 VanDerWaalsContact O-N 3.11Å; W78-Q80 VanDerWaalsContact C-N 3.3Å; W78-Q80 PolarHBondContact O-N 2.92Å
81R89.1Confident93Very high141 Ų14176.2 Ų76.253%0.53237%0.374SS..THydrogen-bonded Turntrans-118.637.4-173.9-70.9-177.7172.8-169.6-7.6113R77 W78 L79 R83R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 VanDerWaalsContact O-CG 3.31Å; R77-R81 WeakPolarHBondContact O-CG 3.33Å; R77-R81 PolarHBondContact O-N 3.02Å; W78-R81 PolarHBondContact O-N 2.94Å; W78-R81 VanDerWaalsContact O-N 3.09Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.9Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3.41Å
82G89.1Confident92.9Very high59 Ų5977.1 Ų77.161%0.60838%0.379SS*.THydrogen-bonded Turntrans68.424.6174.500000114.4Q84G82-Q84 PolarHBondContact O-N 3.19Å; G82-Q84 VanDerWaalsContact O-N 3.09Å
83R90.8Very high92.7Very high155 Ų15577.8 Ų77.859%0.58538%0.382SS*.THydrogen-bonded Turntrans57.726.7168.4-51.7-175.2-156.5-144.47.2115.6W78 R81W78-R83 HydrophobicContact CH2-CB 3.88Å; W78-R83 HydrophobicContact CH2-CG 4.12Å; W78-R83 HydrophobicContact CZ2-CB 3.54Å; W78-R83 HydrophobicContact CZ2-CG 4.26Å; W78-R83 VanDerWaalsContact CZ2-O 3.29Å; W78-R83 WeakPolarHBondContact CZ2-O 3.45Å; W78-R83 HydrophobicContact CZ3-CG 4.38Å; W78-R83 PolarHBondContact NE1-O 3.05Å; W78-R83 PolarHBondContact O-N 3.08Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3.41Å
84Q89.2Confident92.2Very high113 Ų11376.5 Ų76.553%0.52838%0.381SS..  trans-52.4126.9-178.6-70.8-65.1-29.400112.5W78 G82 F87W78-Q84 VanDerWaalsContact CD1-O 3.25Å; W78-Q84 PolarHBondContact NE1-O 3.43Å; G82-Q84 PolarHBondContact O-N 3.19Å; G82-Q84 VanDerWaalsContact O-N 3.09Å; Q84-F87 HydrophobicContact CB-CD2 4.23Å; Q84-F87 WeakPolarHBondContact O-CB 3.41Å
85P90.9Very high91.3Very high88 Ų8881.9 Ų81.957%0.57140%0.402SS*.THydrogen-bonded Turntrans-65.6148.1-17326.7-34.6000112.1A54 F87A54-P85 CarbonylContact O-C 3.58Å; A54-P85 WeakPolarHBondContact O-CA 3.22Å; P85-F87 PolarHBondContact O-N 3.25Å
86N90.3Very high89.7Confident78 Ų7889 Ų8942%0.41743%0.433SS..THydrogen-bonded Turntrans60.37.1176.5-53.6-50.2000115.9A54 G57 F88 V89A54-N86 PolarHBondContact O-N 3.34Å; G57-N86 WeakPolarHBondContact CA-OD1 3.43Å; N86-F88 PolarHBondContact O-N 2.79Å; N86-V89 HydrophobicContact CB-CB 4.48Å; N86-V89 WeakPolarHBondContact O-CB 3.45Å; N86-V89 WeakPolarHBondContact O-CG1 3.45Å; N86-V89 PolarHBondContact O-N 2.9Å
87F91.9Very high87.2Confident92 Ų9285.6 Ų85.640%0.40443%0.427SS..THydrogen-bonded Turntrans-54.8-28.7-170.3-168.8-83.6000114.5Q84 P85Q84-F87 HydrophobicContact CB-CD2 4.23Å; Q84-F87 WeakPolarHBondContact O-CB 3.41Å; P85-F87 PolarHBondContact O-N 3.25Å
88F94.4Very high84.8Confident19 Ų1985 Ų858%0.08344%0.44CS..THydrogen-bonded Turntrans-11220.9177.2-69.1-68.5000114.2C55 F56 C74 R77 W78 N86 Q90 V91C55-F88 PolarHBondContact O-N 2.73Å; F56-F88 HydrophobicContact CD1-CB 3.67Å; F56-F88 WeakPolarHBondContact CD1-O 3.45Å; F56-F88 HydrophobicContact CE1-CB 3.65Å; C74-F88 HydrophobicContact CB-CB 4.42Å; C74-F88 HydrophobicContact CB-CD1 4.14Å; C74-F88 HydrophobicContact CB-CD2 3.88Å; C74-F88 HydrophobicContact CB-CE1 4.41Å; C74-F88 HydrophobicContact CB-CE2 4.15Å; C74-F88 HydrophobicContact CB-CG 3.88Å; C74-F88 HydrophobicContact CB-CZ 4.41Å; C74-F88 WeakPolarHBondContact O-CE2 3.38Å; R77-F88 HydrophobicContact CB-CE2 4.37Å; R77-F88 HydrophobicContact CB-CZ 4.2Å; R77-F88 HydrophobicContact CG-CE2 4.5Å; R77-F88 HydrophobicContact CG-CZ 4.04Å; W78-F88 HydrophobicContact CB-CD2 4.1Å; W78-F88 HydrophobicContact CB-CE2 3.94Å; N86-F88 PolarHBondContact O-N 2.79Å; F88-Q90 PolarHBondContact O-N 3.23Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; F88-V91 HydrophobicContact CB-CB 4.36Å; F88-V91 HydrophobicContact CB-CG2 3.97Å; F88-V91 HydrophobicContact CD1-CG2 3.88Å; F88-V91 HydrophobicContact CG-CG2 4.37Å; F88-V91 WeakPolarHBondContact O-CA 3.43Å; F88-V91 VanDerWaalsContact O-CB 3.24Å; F88-V91 WeakPolarHBondContact O-CB 3.49Å; F88-V91 WeakPolarHBondContact O-CG2 3.35Å; F88-V91 PolarHBondContact O-N 3.41Å
89V93.3Very high82Confident83 Ų8386.1 Ų86.150%0.50346%0.455SS..G310 helixtrans-51.1-38.4179.566.40000113.2N86 V91 L92N86-V89 HydrophobicContact CB-CB 4.48Å; N86-V89 WeakPolarHBondContact O-CB 3.45Å; N86-V89 WeakPolarHBondContact O-CG1 3.45Å; N86-V89 PolarHBondContact O-N 2.9Å; V89-V91 PolarHBondContact O-N 3.47Å; V89-V91 VanDerWaalsContact O-N 3.08Å; V89-L92 WeakPolarHBondContact O-CB 3.27Å; V89-L92 PolarHBondContact O-N 3.38Å
90Q92Very high80.2Confident159 Ų15987.8 Ų87.874%0.74347%0.47SS*.G310 helixtrans-60.7-16.6174.862.2175-3900115.4F88 S94F88-Q90 PolarHBondContact O-N 3.23Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; Q90-S94 PolarHBondContact O-OG 2.92Å
91V93.1Very high78.3Confident29 Ų2989.2 Ų89.218%0.17647%0.473CS..G310 helixtrans-85.6-20.2177.7-173.60000111.4C33 F56 F88 V89 D93 S94C33-V91 WeakPolarHBondContact CA-O 3.28Å; C33-V91 HydrophobicContact CB-CG1 4.23Å; C33-V91 WeakPolarHBondContact CB-O 3.44Å; F56-V91 HydrophobicContact CD1-CB 4.41Å; F56-V91 HydrophobicContact CE1-CB 4.2Å; F56-V91 HydrophobicContact CE1-CG1 4.31Å; F88-V91 HydrophobicContact CB-CB 4.36Å; F88-V91 HydrophobicContact CB-CG2 3.97Å; F88-V91 HydrophobicContact CD1-CG2 3.88Å; F88-V91 HydrophobicContact CG-CG2 4.37Å; F88-V91 WeakPolarHBondContact O-CA 3.43Å; F88-V91 VanDerWaalsContact O-CB 3.24Å; F88-V91 WeakPolarHBondContact O-CB 3.49Å; F88-V91 WeakPolarHBondContact O-CG2 3.35Å; F88-V91 PolarHBondContact O-N 3.41Å; V89-V91 PolarHBondContact O-N 3.47Å; V89-V91 VanDerWaalsContact O-N 3.08Å; V91-D93 PolarHBondContact O-N 2.9Å; V91-S94 VanDerWaalsContact C-OG 3.23Å; V91-S94 VanDerWaalsContact CA-OG 3.22Å; V91-S94 WeakPolarHBondContact CA-OG 3.4Å; V91-S94 PolarHBondContact O-OG 2.96Å; V91-S94 VanDerWaalsContact O-OG 3.09Å
92L92.5Very high76.7Confident18 Ų1886.9 Ų86.99%0.09447%0.468CS..THydrogen-bonded Turntrans-73.9125.9176.1-171.5140.2000109.5F56 Q59 V89 S94F56-L92 HydrophobicContact CB-CB 4.44Å; F56-L92 HydrophobicContact CB-CD1 3.97Å; Q59-L92 HydrophobicContact CB-CD1 4.05Å; Q59-L92 HydrophobicContact CB-CD2 4.01Å; V89-L92 WeakPolarHBondContact O-CB 3.27Å; V89-L92 PolarHBondContact O-N 3.38Å; L92-S94 PolarHBondContact O-N 3.46Å
93D88.8Confident75.3Confident25 Ų2590 Ų9013%0.13447%0.468CS..THydrogen-bonded Turntrans47.731.1-178.1-81.5-39.1000115.6I32 R63 V91 K95 K96 G97I32-D93 PolarHBondContact O-N 3.49Å; R63-D93 IonicContact CZ-OD2 3.98Å; R63-D93 VanDerWaalsContact CZ-OD2 3.26Å; R63-D93 IonicContact NH1-OD1 2.8Å; R63-D93 PolarHBondContact NH1-OD1 3.16Å; R63-D93 IonicContact NH1-OD2 2.79Å; R63-D93 PolarHBondContact NH1-OD2 3Å; R63-D93 IonicContact NH2-OD2 2.69Å; R63-D93 PolarHBondContact NH2-OD2 3.39Å; V91-D93 PolarHBondContact O-N 2.9Å; D93-K95 PolarHBondContact O-N 3.31Å; D93-K96 HydrophobicContact CB-CB 4.17Å; D93-K96 HydrophobicContact CB-CD 3.9Å; D93-K96 HydrophobicContact CB-CG 4.06Å; D93-K96 VanDerWaalsContact CG-CD 3.48Å; D93-K96 VanDerWaalsContact CG-CE 3.43Å; D93-K96 WeakPolarHBondContact O-CA 3.31Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CD 3.42Å; D93-K96 WeakPolarHBondContact OD1-CE 3.41Å; D93-K96 IonicContact OD1-NZ 2.78Å; D93-K96 PolarHBondContact OD1-NZ 2.69Å; D93-K96 IonicContact OD2-NZ 3.78Å; D93-K96 PolarHBondContact OD2-NZ 3.35Å; D93-G97 PolarHBondContact O-N 3.08Å
94S85.5Confident74.1Confident66 Ų6690.3 Ų90.346%0.46247%0.474SS..THydrogen-bonded Turntrans-56.9-18.7179.8-35.90000114.5Q90 V91 L92Q90-S94 PolarHBondContact O-OG 2.92Å; V91-S94 VanDerWaalsContact C-OG 3.23Å; V91-S94 VanDerWaalsContact CA-OG 3.22Å; V91-S94 WeakPolarHBondContact CA-OG 3.4Å; V91-S94 PolarHBondContact O-OG 2.96Å; V91-S94 VanDerWaalsContact O-OG 3.09Å; L92-S94 PolarHBondContact O-N 3.46Å
95K75.7Confident73.1Confident130 Ų13089.4 Ų89.457%0.56547%0.47SS*.THydrogen-bonded Turntrans-87.2-10.4172.7-76.5-156.3172.2-170.50115.4T35 D93T35-K95 WeakPolarHBondContact OG1-CD 3.33Å; T35-K95 WeakPolarHBondContact OG1-CE 3.29Å; D93-K95 PolarHBondContact O-N 3.31Å
96K60.4Low72.1Confident151 Ų15189.5 Ų89.566%0.65746%0.464SS*.THydrogen-bonded Turntrans-93.1-19.4167.5-54-175.2-171.81550112D93D93-K96 HydrophobicContact CB-CB 4.17Å; D93-K96 HydrophobicContact CB-CD 3.9Å; D93-K96 HydrophobicContact CB-CG 4.06Å; D93-K96 VanDerWaalsContact CG-CD 3.48Å; D93-K96 VanDerWaalsContact CG-CE 3.43Å; D93-K96 WeakPolarHBondContact O-CA 3.31Å; D93-K96 WeakPolarHBondContact O-CB 3.38Å; D93-K96 PolarHBondContact O-N 3.08Å; D93-K96 WeakPolarHBondContact OD1-CD 3.42Å; D93-K96 WeakPolarHBondContact OD1-CE 3.41Å; D93-K96 IonicContact OD1-NZ 2.78Å; D93-K96 PolarHBondContact OD1-NZ 2.69Å; D93-K96 IonicContact OD2-NZ 3.78Å; D93-K96 PolarHBondContact OD2-NZ 3.35Å
97G44.7Very low71.6Confident30 Ų3089.8 Ų89.831%0.30947%0.469SS..SBendtrans-55.6168.5163.200000112.5D93 G99D93-G97 PolarHBondContact O-N 3.08Å; G97-G99 WeakPolarHBondContact O-CA 3.47Å; G97-G99 PolarHBondContact O-N 2.98Å
98P43.9Very low71.2Confident118 Ų11891.7 Ų91.777%0.76648%0.477SS*.SBendtrans-40.6105.8-163.5-3436.3000113.9
99G39.3Very low70.7Confident35 Ų3598 Ų9836%0.36150%0.5SS..  trans-69.6-164-152.100000116.2G97 K101 H102G97-G99 WeakPolarHBondContact O-CA 3.47Å; G97-G99 PolarHBondContact O-N 2.98Å; G99-K101 PolarHBondContact O-N 2.96Å; G99-H102 PolarHBondContact O-N 3.28Å
100P56.5Low70.3Confident95 Ų9596 Ų9662%0.61749%0.493SS*.Hα-helixtrans-52.6-15.7-172.7-30.336.5000116.8M103 K104P100-M103 PolarHBondContact O-N 2.91Å; P100-K104 WeakPolarHBondContact O-CG 3.45Å; P100-K104 PolarHBondContact O-N 3.4Å
101K52.5Low70Confident189 Ų18997.2 Ų97.282%0.82249%0.49SS*.Hα-helixtrans-53.7-51.4165.9-63.6-174.4179.6-177.30112.1G99 K104 E105G99-K101 PolarHBondContact O-N 2.96Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.92Å; K101-E105 PolarHBondContact O-N 3.46Å; K101-E105 VanDerWaalsContact O-N 3.11Å
102H56.6Low69.8Low92 Ų92103.9 Ų103.943%0.42651%0.513SS..Hα-helixtrans-69.9-34179.4-177.5-134.4000111.8G99 K104 E105 I106G99-H102 PolarHBondContact O-N 3.28Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.91Å; H102-E105 IonicContact CD2-OE2 3.18Å; H102-E105 CarbonylContact O-C 3.55Å; H102-E105 WeakPolarHBondContact O-CA 3.33Å; H102-E105 WeakPolarHBondContact O-CB 3.48Å; H102-E105 PolarHBondContact O-N 3.08Å; H102-I106 WeakPolarHBondContact O-CG1 3.29Å; H102-I106 PolarHBondContact O-N 3.16Å
103M59.3Low69.6Low125 Ų125111 Ų11162%0.61654%0.538SS*.Hα-helixtrans-66-34.6174.6-163.1172.669.300112.5P100 E105 T107P100-M103 PolarHBondContact O-N 2.91Å; M103-E105 VanDerWaalsContact C-N 3.34Å; M103-T107 WeakPolarHBondContact O-CB 3.4Å; M103-T107 PolarHBondContact O-N 3.34Å; M103-T107 PolarHBondContact O-OG1 3.5Å
104K65.3Low69.4Low161 Ų161114.9 Ų114.970%0.756%0.555SS**Hα-helixtrans-63-39.6167.8-75.2179.8176.9-175.20111.4P100 K101 H102 T107 K108P100-K104 WeakPolarHBondContact O-CG 3.45Å; P100-K104 PolarHBondContact O-N 3.4Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.92Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.91Å; K104-T107 PolarHBondContact O-N 3.37Å; K104-K108 WeakPolarHBondContact O-CB 3.15Å; K104-K108 PolarHBondContact O-N 2.96Å
105E67.8Low69.4Low94 Ų94114.3 Ų114.344%0.43956%0.555SS.*Hα-helixtrans-65.9-48176.4-161-158.1139.200112.3K101 H102 M103 T107 K108 R109K101-E105 PolarHBondContact O-N 3.46Å; K101-E105 VanDerWaalsContact O-N 3.11Å; H102-E105 IonicContact CD2-OE2 3.18Å; H102-E105 CarbonylContact O-C 3.55Å; H102-E105 WeakPolarHBondContact O-CA 3.33Å; H102-E105 WeakPolarHBondContact O-CB 3.48Å; H102-E105 PolarHBondContact O-N 3.08Å; M103-E105 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 2.89Å; E105-K108 CarbonylContact O-C 3.59Å; E105-K108 WeakPolarHBondContact O-CB 3.16Å; E105-K108 PolarHBondContact O-N 3.22Å; E105-K108 VanDerWaalsContact O-N 3.09Å; E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-NH1 2.72Å
106I71.5Confident70Confident90 Ų90116 Ų11646%0.46256%0.562SS.*Hα-helixtrans-53.5-45.2173.8-67165.7000110.1H102 R109 A110H102-I106 WeakPolarHBondContact O-CG1 3.29Å; H102-I106 PolarHBondContact O-N 3.16Å; I106-R109 PolarHBondContact O-N 3.2Å; I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.07Å
107T79.7Confident71.2Confident84 Ų84115.3 Ų115.352%0.51556%0.561SS.*Hα-helixtrans-64.7-42.7178-53.50000112M103 K104 E105 R109 A110 R111M103-T107 WeakPolarHBondContact O-CB 3.4Å; M103-T107 PolarHBondContact O-N 3.34Å; M103-T107 PolarHBondContact O-OG1 3.5Å; K104-T107 PolarHBondContact O-N 3.37Å; E105-T107 PolarHBondContact O-N 2.89Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.85Å; T107-A110 PolarHBondContact O-N 2.99Å; T107-R111 PolarHBondContact O-N 3.33Å
108K83.7Confident73Confident132 Ų132120.7 Ų120.757%0.57458%0.578SS**Hα-helixtrans-64.2-35.2174.9-171.9176.9-177.2178.50111.7K104 E105 R112K104-K108 WeakPolarHBondContact O-CB 3.15Å; K104-K108 PolarHBondContact O-N 2.96Å; E105-K108 CarbonylContact O-C 3.59Å; E105-K108 WeakPolarHBondContact O-CB 3.16Å; E105-K108 PolarHBondContact O-N 3.22Å; E105-K108 VanDerWaalsContact O-N 3.09Å; K108-R112 WeakPolarHBondContact O-CB 3.35Å; K108-R112 VanDerWaalsContact O-CG 3.28Å; K108-R112 WeakPolarHBondContact O-CG 3.38Å; K108-R112 PolarHBondContact O-N 3.26Å; K108-R112 VanDerWaalsContact O-N 3.07Å
109R83.7Confident74.9Confident151 Ų151117.5 Ų117.557%0.5756%0.562SS**Hα-helixtrans-76.5-34.3178.7-163.6169.5-172.9155.3-2.8112.2E105 I106 T107 R113E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.4Å; E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-NH1 2.72Å; I106-R109 PolarHBondContact O-N 3.2Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.85Å; R109-R113 WeakPolarHBondContact O-CG 3.39Å; R109-R113 PolarHBondContact O-N 3.13Å; R109-R113 VanDerWaalsContact O-N 3.13Å
110A83.6Confident77Confident41 Ų41118.6 Ų118.634%0.33957%0.567SS.*Hα-helixtrans-63.8-55169.800000111I106 T107 R112 R113 E114I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.07Å; T107-A110 PolarHBondContact O-N 2.99Å; A110-R112 PolarHBondContact O-N 2.88Å; A110-R113 WeakPolarHBondContact O-CA 3.49Å; A110-R113 WeakPolarHBondContact O-CB 3.49Å; A110-R113 PolarHBondContact O-N 3.41Å; A110-E114 PolarHBondContact O-N 3.09Å
111R85.7Confident78.1Confident185 Ų185117.1 Ų117.170%0.69856%0.563SS**Hα-helixtrans-57.6-36177.1-169-177-71.5-172.9-3.7112.8T107 E114 A115T107-R111 PolarHBondContact O-N 3.33Å; R111-E114 WeakPolarHBondContact CA-OE2 3.5Å; R111-A115 WeakPolarHBondContact O-CB 3.44Å; R111-A115 PolarHBondContact O-N 3.42Å
112R88.5Confident79.2Confident170 Ų170111.4 Ų111.464%0.64255%0.552SS**Hα-helixtrans-66.8-29.6172.8-82.5175.8165.9-170.7-6.9113.8K108 A110 K116K108-R112 WeakPolarHBondContact O-CB 3.35Å; K108-R112 VanDerWaalsContact O-CG 3.28Å; K108-R112 WeakPolarHBondContact O-CG 3.38Å; K108-R112 PolarHBondContact O-N 3.26Å; K108-R112 VanDerWaalsContact O-N 3.07Å; A110-R112 PolarHBondContact O-N 2.88Å; R112-K116 WeakPolarHBondContact O-CG 3.44Å; R112-K116 PolarHBondContact O-N 2.82Å
113R88.6Confident79.8Confident167 Ų167114.1 Ų114.163%0.6357%0.568SS**Hα-helixtrans-75.5-44.7173-77.8175.7167.4174-5111.2R109 A110 A115 K116 Q117R109-R113 WeakPolarHBondContact O-CG 3.39Å; R109-R113 PolarHBondContact O-N 3.13Å; R109-R113 VanDerWaalsContact O-N 3.13Å; A110-R113 WeakPolarHBondContact O-CA 3.49Å; A110-R113 WeakPolarHBondContact O-CB 3.49Å; A110-R113 PolarHBondContact O-N 3.41Å; R113-A115 PolarHBondContact O-N 3.46Å; R113-K116 PolarHBondContact O-N 3.26Å; R113-Q117 WeakPolarHBondContact O-CG 3.1Å; R113-Q117 PolarHBondContact O-N 3.29Å
114E85Confident80.1Confident106 Ų106112.1 Ų112.150%0.49557%0.571SS.*Hα-helixtrans-57.9-48.6176.4-67.4163.817000111.2A110 R111 K116 Q117 Q118A110-E114 PolarHBondContact O-N 3.09Å; R111-E114 WeakPolarHBondContact CA-OE2 3.5Å; E114-K116 VanDerWaalsContact C-N 3.35Å; E114-K116 PolarHBondContact O-N 3.32Å; E114-Q117 PolarHBondContact O-N 3.42Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 3.03Å
115A85.4Confident79.5Confident54 Ų54107.9 Ų107.945%0.44656%0.561SS.*Hα-helixtrans-61.6-38.9176.600000112.9R111 R113 Q118 A119R111-A115 WeakPolarHBondContact O-CB 3.44Å; R111-A115 PolarHBondContact O-N 3.42Å; R113-A115 PolarHBondContact O-N 3.46Å; A115-Q118 PolarHBondContact O-N 2.89Å; A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 2.98Å
116K89.3Confident79.1Confident166 Ų166109 Ų10972%0.72258%0.576SS**Hα-helixtrans-67.2-36174.2-80.9-165.6171.8-157.30112.7R112 R113 E114 A120R112-K116 WeakPolarHBondContact O-CG 3.44Å; R112-K116 PolarHBondContact O-N 2.82Å; R113-K116 PolarHBondContact O-N 3.26Å; E114-K116 VanDerWaalsContact C-N 3.35Å; E114-K116 PolarHBondContact O-N 3.32Å; K116-A120 WeakPolarHBondContact O-CB 3.18Å; K116-A120 PolarHBondContact O-N 2.77Å
117Q84.8Confident78Confident136 Ų136110.9 Ų110.964%0.63659%0.592SS**Hα-helixtrans-68.8-39.2175.3-74.2173.6-16.100111.8R113 E114 A120 A121R113-Q117 WeakPolarHBondContact O-CG 3.1Å; R113-Q117 PolarHBondContact O-N 3.29Å; E114-Q117 PolarHBondContact O-N 3.42Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; Q117-A120 PolarHBondContact O-N 3.05Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.09Å
118Q82.3Confident76.3Confident144 Ų144110.6 Ų110.667%0.67361%0.606SS**Hα-helixtrans-65.7-43174.3-72173.5-12.600112.1E114 A115 A121 A122E114-Q118 WeakPolarHBondContact O-CG 3.45Å; E114-Q118 PolarHBondContact O-N 3.03Å; A115-Q118 PolarHBondContact O-N 2.89Å; Q118-A121 PolarHBondContact O-N 3.37Å; Q118-A122 PolarHBondContact O-N 3.11Å
119A84.9Confident74.4Confident51 Ų51113.2 Ų113.242%0.42162%0.617SS.*Hα-helixtrans-62.9-43.2174.400000112.3A115 A122 I123A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 2.98Å; A119-A122 PolarHBondContact O-N 3.37Å; A119-I123 WeakPolarHBondContact O-CG1 3.17Å; A119-I123 PolarHBondContact O-N 3.02Å; A119-I123 VanDerWaalsContact O-N 3.08Å
120A83.1Confident72.3Confident57 Ų57113.7 Ų113.747%0.47163%0.626SS.*Hα-helixtrans-63.4-40.3175.500000112.3K116 Q117 I123 A124K116-A120 WeakPolarHBondContact O-CB 3.18Å; K116-A120 PolarHBondContact O-N 2.77Å; Q117-A120 PolarHBondContact O-N 3.05Å; A120-I123 PolarHBondContact O-N 3.27Å; A120-A124 VanDerWaalsContact O-CB 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.45Å
121A78.5Confident70.3Confident64 Ų64118.9 Ų118.953%0.52964%0.643SS.*Hα-helixtrans-66.8-34.5175.900000112.9Q117 Q118 S125Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.09Å; Q118-A121 PolarHBondContact O-N 3.37Å; A121-S125 PolarHBondContact O-N 2.94Å
122A76.5Confident68.2Low70 Ų70119.8 Ų119.858%0.57965%0.652SS**Hα-helixtrans-68.1-38.5174.600000112.4Q118 A119 S125Q118-A122 PolarHBondContact O-N 3.11Å; A119-A122 PolarHBondContact O-N 3.37Å; A122-S125 PolarHBondContact O-N 3.18Å
123I69.6Low65.8Low149 Ų149117.2 Ų117.276%0.76466%0.66SS**Hα-helixtrans-73.7-33.1176.1-64.7165.1000111.4A119 A120 S125A119-I123 WeakPolarHBondContact O-CG1 3.17Å; A119-I123 PolarHBondContact O-N 3.02Å; A119-I123 VanDerWaalsContact O-N 3.08Å; A120-I123 PolarHBondContact O-N 3.27Å; I123-S125 PolarHBondContact O-N 3.03Å
124A64Low63.6Low82 Ų82117 Ų11768%0.67867%0.671SS**THydrogen-bonded Turntrans-77.7-3.617600000114A120A120-A124 VanDerWaalsContact O-CB 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.45Å
125S53.5Low61.3Low72 Ų72119 Ų11950%0.50368%0.678SS.*SBendtrans-84.2115.8169.5-173.20000108.8A121 A122 I123 V127A121-S125 PolarHBondContact O-N 2.94Å; A122-S125 PolarHBondContact O-N 3.18Å; I123-S125 PolarHBondContact O-N 3.03Å; S125-V127 PolarHBondContact O-N 3.27Å
126P58.6Low59.1Low117 Ų117122 Ų12276%0.7670%0.696SS**  trans-63.1125.6-175.224.7-33.5000111.3G128P126-G128 VanDerWaalsContact C-N 3.3Å; P126-G128 PolarHBondContact O-N 3.41Å
127V50Low56.6Low130 Ų130117.6 Ų117.679%0.78869%0.686SS**  trans-76.984175179.70000108.8S125 K129S125-V127 PolarHBondContact O-N 3.27Å; V127-K129 HydrophobicContact CG1-CB 4.32Å; V127-K129 PolarHBondContact O-N 3.43Å
128G43.8Very low54.7Low79 Ų79118.8 Ų118.881%0.81470%0.696SS**  trans-70.769.4173.600000112.5P126P126-G128 VanDerWaalsContact C-N 3.3Å; P126-G128 PolarHBondContact O-N 3.41Å
129K43.7Very low52.9Low186 Ų186117.5 Ų117.581%0.80970%0.698SS**  trans-144.570.8175.1-72.5-163.9174.2-173.70112.1V127V127-K129 HydrophobicContact CG1-CB 4.32Å; V127-K129 PolarHBondContact O-N 3.43Å
130E39.6Very low51Low161 Ų161120.6 Ų120.675%0.75271%0.712SS**  trans-135.5122.1170.1-87.5-132.584.600113.6
131Q40.8Very low49.1Very low150 Ų150122.9 Ų122.970%0.70172%0.72SS**  trans73.2151.7148.2-55.2-174.322.600122.2
132K41.3Very low47.3Very low204 Ų204124.8 Ų124.889%0.88773%0.726SS**  trans73.2141.9174.1-59.5175.3-177.9174.80115.6
133S37.8Very low45.9Very low116 Ų116128.6 Ų128.681%0.81173%0.731SS**  cis-149.1-174.7-1.8-156.90000113.8
134L43.4Very low44.7Very low163 Ų163127.8 Ų127.885%0.85373%0.733SS**  trans-92.1123.5-159.8-64.4149.6000117.2
135K35.7Very low44Very low147 Ų147129.4 Ų129.464%0.63974%0.737SS**  trans29.9136.7130.6-171.7166.1-175.7162.20123.4S137K135-S137 WeakPolarHBondContact CE-OG 3.36Å
136S40.2Very low43.5Very low117 Ų117131.8 Ų131.882%0.81875%0.749SS**  trans-140.3172.7150.1-166.90000112.3
137S37.1Very low42.7Very low75 Ų75132 Ų13252%0.52475%0.748SS.*  trans-161.9170.3-167-58.60000116.3K135K135-S137 WeakPolarHBondContact CE-OG 3.36Å
138L43.3Very low42.3Very low160 Ų160137 Ų13784%0.83875%0.752SS**  trans-166.5168.4170.8-118.854.6000105
139T44.6Very low42.3Very low117 Ų117139.2 Ų139.272%0.71876%0.756SS**  cis-177179.1-21.123.80000105
140T45.7Very low42.3Very low117 Ų117135.3 Ų135.372%0.71875%0.752SS**  cis-179.3140.2-12.4-92.60000103.6
141T43.8Very low42Very low105 Ų105133.2 Ų133.264%0.64475%0.753SS**  cis-156.3151.3-0.924.20000107
142T39.5Very low42Very low104 Ų104129.9 Ų129.964%0.63876%0.759SS**  65.4142.391.4-28.30000113.2
143H47.6Very low41.9Very low150 Ų150128.3 Ų128.369%0.69476%0.761SS**  cis-155.3133.540-53.8-106.2000112.4
144T44.7Very low41.8Very low131 Ų131126 Ų12680%0.80476%0.755SS**  106.4155.999.548.50000116.7
145P48.6Very low41.7Very low117 Ų117127 Ų12776%0.7676%0.755SS**  trans-134.1-133.2-143.646.9-30.1000117.6
146T42.7Very low41.8Very low122 Ų122129.4 Ų129.475%0.74877%0.768SS**  trans86.8151.8-176.6-9.50000113.2
147T42.1Very low41.5Very low122 Ų122129.1 Ų129.175%0.74877%0.765SS**  cis-144.1138.321.557.30000118
148R43Very low41.5Very low233 Ų233132.1 Ų132.188%0.87979%0.786SS**  trans21.5125.5142.6-57.9171.570.2-167.43.4123
149S42.9Very low41.2Very low126 Ų126131.3 Ų131.388%0.88178%0.783SS**  158.1152.3122.9510000112.4
150S42.7Very low40.7Very low104 Ų104132.6 Ų132.673%0.72779%0.785SS**  cis-155.8144.4-32.1-167.20000111.5
151C35.1Very low40.4Very low117 Ų117132.5 Ų132.579%0.79179%0.789SS**  trans28.2120.6161.560.50000122.5
152G39.5Very low40.3Very low80 Ų80133 Ų13383%0.82580%0.797SS**  trans-161.2108.5156.900000110.3
153N40.5Very low40.1Very low172 Ų172134 Ų13492%0.9281%0.806SS**  trans-99151.3-168.3-80-6000113.8
154G35.3Very low39.6Very low67 Ų67132.1 Ų132.169%0.69181%0.811SS**  trans114.872.1141.100000118.7
155H40.8Very low39.3Very low185 Ų185137.9 Ų137.986%0.85682%0.817SS**  trans-128.791.4162.7-79.2-12000112.1
156H38.4Very low38.7Very low197 Ų197135.8 Ų135.891%0.91282%0.817SS**  trans-133.285.1168.7-87-91.5000109.6
157C33.9Very low38.4Very low110 Ų110137.9 Ų137.974%0.74382%0.824SS**  trans-164.956.2173.150.10000114.3N159C157-N159 VanDerWaalsContact C-N 3.33Å; C157-N159 PolarHBondContact O-N 3Å
158S37.2Very low38.3Very low139 Ų139139.7 Ų139.797%0.97283%0.828SS**  trans-73.689.1160.8-610000109.3
159N35.4Very low37.8Very low143 Ų143137.1 Ų137.177%0.76583%0.826SS**  trans-119153.9-176.2-153.4-3.2000112.4C157C157-N159 VanDerWaalsContact C-N 3.33Å; C157-N159 PolarHBondContact O-N 3Å
160N35.1Very low37.3Very low143 Ų143141.3 Ų141.377%0.76582%0.824SS**  trans-65.3151.2-173.6-68.9-65.8000113.4
161S38.5Very low36.9Very low115 Ų115140.2 Ų140.280%0.80481%0.813SS**  175.889.7114.6-77.50000114.1
162S42.3Very low37Very low117 Ų117142.9 Ų142.982%0.81881%0.814SS**  trans-158.3112.7146.4-35.40000111.7
163C36.4Very low37.1Very low123 Ų123144.3 Ų144.383%0.83181%0.807SS**  trans21.5116.8139.4-44.30000117.5
164S36.9Very low36.9Very low112 Ų112143.6 Ų143.678%0.78380%0.803SS**  cis46.2125.437.4-560000112.2
165R38Very low37.1Very low251 Ų251144.4 Ų144.495%0.94780%0.803SS**  cis-145.717622.3-55.1156.1113.7144.3-3.1106.3
166G36.8Very low36.9Very low73 Ų73144.8 Ų144.875%0.75380%0.802SS**  cis159.5119.23.800000106.9
167N34.5Very low37.3Very low167 Ų167139.8 Ų139.889%0.89379%0.787SS**  trans-91.4130.2-170.8-167.912.9000110.8
168L40Very low37.7Very low159 Ų159140.8 Ų140.883%0.83278%0.781SS**  trans-146135-177.1-124.9102.1000113.4
169H33.5Very low37.8Very low179 Ų179141.1 Ų141.183%0.82977%0.767SS**  trans-68.8148.9159.4-78.7166.9000110.8
170Y32.6Very low37.9Very low215 Ų215143.3 Ų143.384%0.84377%0.765SS**  -169-179.9103.7-158.9-120.2000111.9
171T34.1Very low38Very low81 Ų81142.3 Ų142.350%0.49776%0.76SS.*  trans-101.7171.4-155.760.10000116.6
172Q36.7Very low38Very low173 Ų173144.8 Ų144.881%0.80876%0.758SS**  trans74.6152.1154.9-76177.4-4.700117
173T41.3Very low37.9Very low110 Ų110144.6 Ų144.668%0.67575%0.752SS**  cis-154.5160.16.90.90000111.2
174N36.4Very low37.9Very low157 Ų157143.3 Ų143.384%0.8475%0.745SS**  trans30.7151.4146.3-67.2-32.5000122.3
175A40.2Very low38Very low84 Ų84143 Ų14369%0.69474%0.742SS**  cis-157.5147.62.900000108.2
176K36.7Very low38Very low192 Ų192136 Ų13684%0.83573%0.732SS**  57.4149.882.7-105.1-157.1172.7-158.60115.5
177P47.1Very low38Very low92 Ų92138.8 Ų138.860%0.59774%0.739SS**  cis-145.2-171.9-10.838.5-16.2000117.2
178E40.9Very low38.1Very low131 Ų131138.1 Ų138.161%0.61273%0.733SS**  trans65.1160.7163.6-49-48.4118.700119.8
179H40.1Very low38Very low147 Ų147141.3 Ų141.368%0.68173%0.734SS**  cis-143.8138.54.9-102.6-64.5000111.9
180Y36.9Very low38.4Very low188 Ų188139 Ų13974%0.73773%0.732SS**  trans54.5150.4133.4-71.9-136000120.1
181L39.1Very low38.7Very low123 Ų123136.6 Ų136.664%0.64473%0.729SS**  cis-163.3150.95.3-123.8173.2000110.3
182H38.2Very low38.8Very low166 Ų166138.4 Ų138.477%0.76975%0.745SS**  trans43.8152.6150.5-79.3-174.6000122.6
183T38.7Very low39.2Very low113 Ų113137.4 Ų137.469%0.69375%0.745SS**  cis-154.7156.85.8-3.90000112.9
184S36.7Very low38.9Very low97 Ų97139.3 Ų139.368%0.67875%0.748SS**  trans-11.8148.7157.256.40000120.5
185S40.3Very low38.8Very low105 Ų105141.3 Ų141.373%0.73475%0.75SS**  -159.5135.351.5-59.10000117.8
186S38.1Very low38.7Very low104 Ų104142.1 Ų142.173%0.72775%0.75SS**  trans11.8128.5150.862.30000123
187C36.6Very low38.7Very low132 Ų132141.5 Ų141.589%0.89275%0.75SS**  trans-131.5123.9138.264.70000110.1
188I37Very low38.3Very low152 Ų152145.4 Ų145.478%0.77976%0.76SS**  trans-101.2116.9-171-64.7178.7000111.4V190I188-V190 HydrophobicContact CG2-CG2 3.78Å
189R36.6Very low38Very low227 Ų227144.6 Ų144.686%0.85777%0.769SS**  trans-122.296.2163.8178.9-172.5-81.5-165.8-2.5109.1Q191R189-Q191 PolarHBondContact O-N 3.19Å
190V42.3Very low38Very low130 Ų130147.8 Ų147.879%0.78878%0.777SS**PPolyproline II helixtrans-75.7117.3174.6179.40000109.9I188I188-V190 HydrophobicContact CG2-CG2 3.78Å
191Q39.8Very low38.2Very low165 Ų165145.9 Ų145.977%0.77179%0.785SS**PPolyproline II helixtrans-87.8156.1162.7-77.1-176.8-46.800110.9R189R189-Q191 PolarHBondContact O-N 3.19Å
192S34.4Very low38.3Very low118 Ų118144 Ų14483%0.82579%0.794SS**PPolyproline II helixtrans-64.1134.8175.351.30000112
193N45.3Very low38Very low153 Ų153139.1 Ų139.182%0.81879%0.789SS**PPolyproline II helixtrans-103.1150.5166.5-15511.8000111.8
194M34.9Very low38.1Very low150 Ų150140.5 Ų140.574%0.73980%0.798SS**  trans-125.6-175.8169.8-73.1-97.569.400107.8
195F35.2Very low38.3Very low199 Ų199142.1 Ų142.187%0.87380%0.804SS**  trans70.6146.4-171.5-82.8-120.5000114
196S37.1Very low38.1Very low100 Ų100147.5 Ų147.570%0.69981%0.808SS**  cis-151.4177.5-17-155.10000111.4
197Q37.8Very low38.3Very low179 Ų179148.7 Ų148.784%0.83682%0.816SS**  trans-73.3144.8171.9-53.8167.620.200111.3
198Q39.4Very low38.3Very low174 Ų174147.6 Ų147.681%0.81381%0.81SS**  trans-160.4141.1133.9-113.2165.163.200110.2
199S33.6Very low38.7Very low115 Ų115145.3 Ų145.380%0.80481%0.814SS**  trans-116.9133.6173.3-61.70000108.3
200Y39.7Very low38.8Very low213 Ų213143.5 Ų143.584%0.83582%0.815SS**  trans-136.9144.1164.2-91.4-77.2000110.5
201V41.9Very low38.9Very low149 Ų149146.2 Ų146.290%0.90382%0.819SS**  trans-95.4147.1-179-78.40000110.8
202G41.3Very low38.8Very low82 Ų82142 Ų14285%0.84581%0.807SS**  trans-159.4120.9172.700000110.1
203G32.2Very low39.1Very low64 Ų64145.7 Ų145.766%0.6681%0.812SS**  trans-124-161.5172.300000110.5
204T40.4Very low38.8Very low143 Ų143142.2 Ų142.288%0.87780%0.804SS**  trans73.5150.5-168.386.50000113.4
205T41.2Very low39.1Very low130 Ų130143 Ų14380%0.79881%0.811SS**  cis-140.4165.31.5-28.70000111.2
206R35.7Very low39.4Very low219 Ų219138.1 Ų138.183%0.82680%0.801SS**  trans-82.1148.9172-64.3159.665-1673.7111
207S42.4Very low39.5Very low129 Ų129140.8 Ų140.890%0.90281%0.808SS**  trans-144.7149.1151.2-89.90000109.8
208S37.2Very low39.5Very low108 Ų108135.7 Ų135.776%0.75580%0.803SS**  trans-115.9147.4-170.4-55.20000111.7
209A44.3Very low39.5Very low105 Ų105136.7 Ų136.787%0.86881%0.805SS**  trans-142.5134.616000000109
210Q38.7Very low39.7Very low188 Ų188142 Ų14288%0.87981%0.808SS**  trans-108.2139.4178.7-64.1172.5-7800109.8
211H45.6Very low39.5Very low188 Ų188137.7 Ų137.787%0.8781%0.807SS**  trans-146.4164.8152.1-150.3-102.9000110.6
212S37.6Very low39.1Very low75 Ų75136.3 Ų136.352%0.52480%0.804SS.*  trans-133.2154.1-137.6-51.40000114.8
213Q39.5Very low38.9Very low196 Ų196138 Ų13892%0.91680%0.803SS**  trans71.7147.6165.4-54.9167.925.500114.4
214A39Very low39.1Very low81 Ų81143.2 Ų143.267%0.66981%0.81SS**  cis-151.1157.42700000114.5
215L41.2Very low39.2Very low166 Ų166146.7 Ų146.787%0.86981%0.813SS**  trans40.7139.6138.3-56.4174.2000121.1
216S41.6Very low38.9Very low96 Ų96147.1 Ų147.167%0.67181%0.81SS**  cis-165.8150.1248.60000115
217N40.3Very low39.1Very low157 Ų157142.3 Ų142.384%0.8481%0.81SS**  trans46.5136.1142.7-57.1-8.5000124.9
218G37.7Very low38.8Very low72 Ų72143 Ų14374%0.74280%0.804SS**  trans127.666.4154.500000116.9
219F38.3Very low39.1Very low195 Ų195145.9 Ų145.986%0.85581%0.811SS**  68.1129.572.9-94.5-66.6000118.8
220R37.6Very low38.8Very low227 Ų227147.3 Ų147.386%0.85780%0.803SS**  trans76.5149.8167.3-58.8178.2-175.4-112.92.2117.8
221C35.4Very low38.8Very low121 Ų121149.8 Ų149.882%0.81881%0.805SS**  cis-163.4166.7-27-107.30000110.6
222S34.8Very low38.3Very low120 Ų120147.1 Ų147.184%0.83980%0.797SS**  trans-71.8156.7-175.6-35.30000116
223S36.9Very low38.5Very low118 Ų118149.7 Ų149.783%0.82582%0.815SS**  -165.1165.2123.9-154.60000113.5
224H36.4Very low38.3Very low174 Ų174147.5 Ų147.581%0.80681%0.81SS**  trans-91.8157.4179.9-69.2-119.2000112.9
225K42.4Very low38.3Very low216 Ų216148.4 Ų148.494%0.93981%0.811SS**  -162157.2121.6-109.5165.4-173.61790112.8
226N34.3Very low38.2Very low138 Ų138148.4 Ų148.474%0.73881%0.806SS**  trans-128.7142.7-176.9178.215.1000108.7
227S39.2Very low37.6Very low118 Ų118149 Ų14983%0.82581%0.809SS**  trans-161.5132.3164.5-81.70000111.7
228N37Very low37.4Very low144 Ų144151.4 Ų151.477%0.7781%0.808SS**  trans-70.7158.6172.8-62.7-55000111.5
229N43.9Very low37.1Very low169 Ų169155.5 Ų155.590%0.90481%0.813SS**  trans-151.8150.1131.2-114.2-47.3000112.3
230N36.6Very low37.1Very low134 Ų134156.8 Ų156.872%0.71781%0.812SS**  trans-140.5129.1-166.8-18011.4000110.9
231R39.3Very low36.8Very low240 Ų240150.8 Ų150.891%0.90681%0.805SS**  trans-173.1110.4166.8-93.4144.6-165.9-154.24.6105
232N36Very low36.9Very low132 Ų132152.1 Ų152.171%0.70680%0.803SS**  cis61107.246.6-165.321.4000114
233S41.4Very low37Very low130 Ų130152.6 Ų152.691%0.90980%0.796SS**  trans-154.6130.2154.7-93.10000108.2
234N35.2Very low37Very low150 Ų150154.5 Ų154.580%0.80279%0.792SS**  trans-153.1115.9-168.6168.848.1000109.9
235S38.9Very low37.1Very low99 Ų99154.1 Ų154.169%0.69279%0.79SS**  trans-161.4127.3178.757.80000114.8
236H38.8Very low36.8Very low167 Ų167150 Ų15077%0.77378%0.778SS**  trans35.4120.8139.8-59.9-84.7000119.8
237C30.1Very low37.1Very low109 Ų109153 Ų15374%0.73679%0.785SS**  63.6116.364.3-60.80000114.7
238Y35.7Very low36.9Very low206 Ų206154.1 Ų154.181%0.80878%0.782SS**  -164.4137.8127.1-109.1-68.5000111.9
239N31.9Very low37.2Very low159 Ų159154.7 Ų154.785%0.8579%0.785SS**  trans-82.8142.6150.9-84.6-64.7000107.7
240R38Very low37Very low221 Ų221152.4 Ų152.483%0.83478%0.777SS**  trans-143.4135.8155.1-165.1164-72.2-116.33.2110.5
241S31.4Very low37.2Very low102 Ų102151.3 Ų151.371%0.71378%0.78SS**  trans-124.7158.6173.6-168.70000108.3
242L36.9Very low37.1Very low149 Ų149148.6 Ų148.678%0.7878%0.778SS**  trans72.3144.1167-68.5166.9000120.2
243N37.5Very low37.1Very low129 Ų129151.3 Ų151.369%0.6979%0.785SS**  trans87102.8149.8-64.8-9.2000122.3
244H35.1Very low36.9Very low158 Ų158152.8 Ų152.873%0.73178%0.782SS**  57.2107.7123.3-80.7-86.9000121.2
245H39.3Very low36.8Very low166 Ų166150.6 Ų150.677%0.76978%0.777SS**  162.4106.9112.9-91.9-81.8000107.2
246N36Very low36.5Very low129 Ų129151.9 Ų151.969%0.6979%0.785SS**  6691.872.2-170.811.5000113.8
247K40.1Very low36.3Very low201 Ų201148.9 Ų148.987%0.87478%0.782SS**  trans-158.1153.9139.6-108.5169.5-174.9-178.30109.7
248N36.5Very low36.2Very low143 Ų143149.8 Ų149.877%0.76579%0.788SS**  trans-71.5156.7-171.6-48-23.6000111.9
249D42.7Very low36.4Very low156 Ų156146.5 Ų146.583%0.83479%0.79SS**  -154.3168.8102.2-124.7-39000113.3
250T40.2Very low36.4Very low120 Ų120146.2 Ų146.274%0.73679%0.787SS**  trans-84.4143.8-16655.70000115.4
251S39.9Very low36.6Very low111 Ų111143.8 Ų143.878%0.77679%0.789SS**  -176.5129.8124.5-820000114.3
252E37.7Very low36.8Very low184 Ų184146.9 Ų146.986%0.8679%0.792SS**  trans48.9116.8150.8-53.2-161.8150.200122.2
253H35.4Very low36.8Very low188 Ų188148.6 Ų148.687%0.8780%0.797SS**  trans-85.6140.5159.5-80-112.5000111.1
254I38.5Very low36.9Very low162 Ų162149.7 Ų149.783%0.83180%0.795SS**  trans-122.5116.6151.4-64.9179.8000108.8
255C32.5Very low36.9Very low104 Ų104148 Ų14870%0.70379%0.788SS**  trans-133.4114.9172.5-175.30000108.2S257C255-S257 PolarHBondContact O-N 2.85Å
256C31.8Very low36.9Very low126 Ų126151.5 Ų151.585%0.85180%0.796SS**  trans-83.398.3176.7-73.60000110.6
257S34.9Very low36.8Very low104 Ų104152.1 Ų152.173%0.72780%0.799SS**  trans-73.1162.7168.9-66.70000112.4C255C255-S257 PolarHBondContact O-N 2.85Å
258C28.3Very low36.6Very low127 Ų127147.1 Ų147.186%0.85879%0.789SS**  trans-68.5148.4178.3-500000112.8
259T39.3Very low36.7Very low137 Ų137149.3 Ų149.384%0.8479%0.791SS**  trans-121.2123.4161.251.50000109.9
260I32.7Very low36.4Very low153 Ų153147.4 Ų147.479%0.78579%0.791SS**  trans-89.9143.4171.9-63.8171.2000108.3
261L42.6Very low36.2Very low171 Ų171147.1 Ų147.190%0.89579%0.794SS**  trans-144.8116.4164.7-116.2154.6000108.7
262E34.6Very low35.9Very low166 Ų166150.8 Ų150.878%0.77680%0.798SS**  trans-90.2148.2174.2-67.6-175.69500111.1
263Q38Very low35.9Very low186 Ų186147.7 Ų147.787%0.86980%0.797SS**  trans155150.1143-88.4176.345.200109.6
264K38.6Very low35.7Very low152 Ų152148 Ų14866%0.66180%0.799SS**  cis-158.5151.8-36.4-154.9176.3178.2-111.40106.4
265E35.9Very low35.5Very low123 Ų123143.8 Ų143.858%0.57580%0.795SS**  trans30.6124.9161.2-70.9150.5167.800120.5
266Y38.2Very low35.5Very low238 Ų238143.4 Ų143.493%0.93380%0.799SS**  -157.2136.1111.1-105.3-70.7000110.6
267L34.4Very low35.9Very low143 Ų143144.1 Ų144.175%0.74980%0.8SS**  trans-98.2148.4-177.4-71.574.7000111.1
268S35.9Very low36.2Very low96 Ų96150.3 Ų150.367%0.67181%0.807SS**  -175.8116.7113.1-86.50000117.1
269K39.3Very low37.2Very low188 Ų188149.6 Ų149.682%0.81780%0.799SS**  70.1138125.8-61.8174.1-178.2175.10122.4
270S35.2Very low37.6Very low117 Ų117154.3 Ų154.382%0.81880%0.802SS**  trans85.2139.9159.779.20000118.4
271S37.4Very low38.1Very low114 Ų114150.8 Ų150.880%0.79780%0.795SS**  cis-159.9148.3-26.3410000110.9
272H32.5Very low38.1Very low187 Ų187145.6 Ų145.687%0.86678%0.777SS**  trans-57.7146.7-172.1-56.195.4000116.7
273S37Very low38.5Very low120 Ų120141.1 Ų141.184%0.83977%0.768SS**  -149.2149.9122.8610000110.8
274Q31.6Very low38.9Very low195 Ų195136.3 Ų136.391%0.91176%0.76SS**  trans-101.1139.9175.6-65.7179.6-8.600109.7
275G33.8Very low39.3Very low72 Ų72138.8 Ų138.874%0.74277%0.765SS**  trans-153.298.4-179.700000113.4T277G275-T277 PolarHBondContact O-N 3.2Å
276A34.3Very low39.7Very low97 Ų97140 Ų14080%0.80277%0.771SS**  trans-87.591.2-174.900000113.1R278A276-R278 VanDerWaalsContact C-N 3.3Å; A276-R278 PolarHBondContact O-N 3.25Å
277T39Very low40Very low141 Ų141136 Ų13687%0.86577%0.765SS**  trans-72.975.3177.1-51.20000112.6G275G275-T277 PolarHBondContact O-N 3.2Å
278R42.1Very low40.5Very low233 Ų233137.2 Ų137.288%0.87977%0.767SS**  trans-75.4137.6170.5-75.3-169.4173.9-158.50.9111.4A276 R280A276-R278 VanDerWaalsContact C-N 3.3Å; A276-R278 PolarHBondContact O-N 3.25Å; R278-R280 PolarHBondContact O-N 3.09Å
279T49.8Very low40.7Very low113 Ų113136.6 Ų136.669%0.69377%0.768SS**  trans-69.1127.6-171.9-39.90000113A281 A282T279-A281 HydrophobicContact CG2-CB 4.5Å; T279-A281 PolarHBondContact O-N 2.8Å; T279-A282 PolarHBondContact O-N 2.97Å
280R46.2Very low40.7Very low236 Ų236131.2 Ų131.289%0.89176%0.759SS**THydrogen-bonded Turntrans-51.2-19.7-179.9-87.8-179.5-97.6-126.5-2.6116.1R278 A282R278-R280 PolarHBondContact O-N 3.09Å; R280-A282 VanDerWaalsContact C-N 3.27Å; R280-A282 PolarHBondContact O-N 2.98Å
281A43.8Very low41Very low78 Ų78130.3 Ų130.365%0.64575%0.752SS**THydrogen-bonded Turntrans-71.6-10.7179.800000115.5T279T279-A281 HydrophobicContact CG2-CB 4.5Å; T279-A281 PolarHBondContact O-N 2.8Å
282A43Very low41Very low63 Ų63129.4 Ų129.452%0.52175%0.751SS.*THydrogen-bonded Turntrans-91.5-33.7179.900000114T279 R280 A284T279-A282 PolarHBondContact O-N 2.97Å; R280-A282 VanDerWaalsContact C-N 3.27Å; R280-A282 PolarHBondContact O-N 2.98Å; A282-A284 PolarHBondContact O-N 3Å
283A42Very low41.3Very low71 Ų71125 Ų12559%0.58775%0.748SS**G310 helixtrans-66.3-37.8-17500000112.9R285 Q286A283-R285 PolarHBondContact O-N 2.76Å; A283-Q286 PolarHBondContact O-N 2.92Å
284A45.9Very low41.3Very low85 Ų85124 Ų12470%0.70275%0.746SS**G310 helixtrans-70.419-17800000115.2A282A282-A284 PolarHBondContact O-N 3Å
285R48.4Very low41.4Very low204 Ų204119 Ų11977%0.7774%0.738SS**G310 helixtrans-137.27.1175-60.1-175.8-168.2-100.4-4.4113.8A283A283-R285 PolarHBondContact O-N 2.76Å
286Q44.5Very low41.5Very low150 Ų150122 Ų12270%0.70175%0.746SS**THydrogen-bonded Turntrans-112.9-4.1177.3-61.9-165.1-78.400113.5A283A283-Q286 PolarHBondContact O-N 2.92Å
287L43.7Very low41.7Very low153 Ų153123.9 Ų123.980%0.80175%0.748SS**SBendtrans-91.7-21.2175.4-130.875.6000114
288E45.1Very low41.7Very low168 Ų168128 Ų12879%0.78575%0.748SS**SBendtrans-91.1-7.4-176.3-159.9173.8-159.100113
289A39Very low41.5Very low83 Ų83123.7 Ų123.769%0.68674%0.742SS**SBendtrans-108.71.5-179.900000113.7
290A39.5Very low41Very low76 Ų76125.7 Ų125.763%0.62876%0.755SS**SBendtrans-107.9-9.9-176.500000113.8
291S41.8Very low40.8Very low97 Ų97119.2 Ų119.268%0.67875%0.751SS**SBendtrans-97.4-6.3-175.448.60000114.7
292A38.9Very low40.5Very low95 Ų95119 Ų11979%0.78576%0.757SS**SBendtrans-105.912.8-171.600000114.8
293A38.4Very low40.3Very low96 Ų96122.3 Ų122.379%0.79377%0.77SS**SBendtrans-131.713.6-169.800000114.9
294A36.8Very low40.1Very low98 Ų98126.2 Ų126.281%0.8178%0.781SS**SBendtrans-127.418.2-168.900000114.9
295A34.3Very low39.7Very low89 Ų89126.5 Ų126.574%0.73678%0.778SS**SBendtrans-133.5150.2178.800000111.8
296C36Very low39Very low135 Ų135122.9 Ų122.991%0.91278%0.778SS**  trans64.149.4175.6-65.60000117.5
297T37Very low38.8Very low137 Ų137121.9 Ų121.984%0.8479%0.788SS**  trans-109.587.615046.20000111.1
298R38.8Very low38.8Very low228 Ų228122.9 Ų122.986%0.8679%0.793SS**  trans-157.8119.5158.5-135.5176.2-72.6-176.6-1.4112.7
299N39Very low38.8Very low143 Ų143119.9 Ų119.977%0.76579%0.788SS**  trans43.3105.3154.5-56.31.7000119.7
300T39.2Very low38.8Very low155 Ų155123.8 Ų123.895%0.95180%0.796SS**  -160.9142.5110.310.20000109.3
301A41.4Very low38.5Very low99 Ų99126 Ų12682%0.81881%0.806SS**  trans-136.5118.2-174.200000111.3
302G37.7Very low38.3Very low75 Ų75124.2 Ų124.277%0.77380%0.803SS**  trans74170.6170.300000115.7
303V38.9Very low38.1Very low131 Ų131124.3 Ų124.379%0.79480%0.798SS**  cis-145.2165.4-10.8-1690000107.7
304L37.4Very low38.1Very low154 Ų154127.1 Ų127.181%0.80680%0.795SS**  trans-11.4150.6162-56.3165.1000117.9
305S37.5Very low38Very low91 Ų91129.4 Ų129.464%0.63679%0.788SS**  cis-166.3164.716.5-139.30000114.7
306T34.5Very low37.9Very low127 Ų127132.6 Ų132.678%0.77979%0.787SS**  trans9.2123.6149.355.80000122.1
307S39.9Very low37.8Very low129 Ų129130.5 Ų130.590%0.90278%0.775SS**  -163.7164.312555.20000112.1
308L43.8Very low37.8Very low175 Ų175129.3 Ų129.392%0.91677%0.772SS**  trans-100.6171.7-158.6-80.8163.2000114.9
309P46.1Very low37.8Very low105 Ų105123.2 Ų123.268%0.68276%0.764SS**  trans-112178.7-164.143.2-36.4000115.4
310L37.7Very low37.8Very low164 Ų164121.8 Ų121.886%0.85977%0.765SS**  trans-156.7133.7152.5-121.960.4000107.7
311C33.9Very low37.6Very low123 Ų123118.9 Ų118.983%0.83175%0.751SS**  58.5132.690.2-156.40000114.5
312G36.5Very low37.5Very low60 Ų60121.4 Ų121.462%0.61975%0.75SS**  cis-159167.80.300000109.2
313S35.3Very low37.6Very low97 Ų97123.4 Ų123.468%0.67875%0.747SS**  113.515457.7-73.50000110.6
314H37.9Very low37.7Very low155 Ų155123.8 Ų123.872%0.71874%0.744SS**  trans79.6130.5158.4-67.3-64.1000123.3
315H34.9Very low37.8Very low146 Ų146124.1 Ų124.168%0.67674%0.741SS**  trans60.1148.5133.1-68.2-51.2000121.6
316H32.1Very low38.1Very low155 Ų155124 Ų12472%0.71874%0.74SS**  cis-172.3169.6-23.3-142.8-129.4000110.1
317S34Very low38.9Very low92 Ų92127.7 Ų127.764%0.64375%0.745SS**  trans63.5150.4148.6-66.20000122.6
318S36.9Very low38.9Very low112 Ų112128.3 Ų128.378%0.78374%0.739SS**  trans74.2146.8146.4-63.60000120
319S38.8Very low38.9Very low100 Ų100127.5 Ų127.570%0.69973%0.733SS**  cis-169.4165.5-15.6-101.70000111.3
320S39.1Very low38.7Very low112 Ų112129.2 Ų129.278%0.78373%0.732SS**  trans71.3157.4152.7-66.30000119.9
321S36.1Very low38.9Very low94 Ų94128.8 Ų128.866%0.65773%0.728SS**  cis-172.4173.8-3254.60000110.7
322L38.3Very low39.1Very low152 Ų152128 Ų12880%0.79672%0.719SS**  trans80.7125.6167.7-49.2-177.7000116.9
323V40.7Very low39.4Very low117 Ų117133 Ų13371%0.70973%0.73SS**  cis96.6118.8351710000110.4
324L40.6Very low39.5Very low139 Ų139133.4 Ų133.473%0.72873%0.733SS**  -160.2146.172.8-71.5162.5000114.3
325H40.2Very low39.9Very low162 Ų162131.9 Ų131.975%0.7574%0.737SS**  trans54.4157134.4-69.771.6000124.1
326S43.1Very low40.1Very low88 Ų88131.6 Ų131.662%0.61574%0.74SS**  cis-178.3167.6-29.2-97.60000111.9
327K50.4Low40.3Very low204 Ų204129 Ų12989%0.88774%0.739SS**  trans81.5124172.1-52.6176.5-177.6177.70115
328N40.4Very low40.5Very low143 Ų143128.9 Ų128.977%0.76574%0.739SS**  cis99.1157.718-159.121.8000115.1
329I43.3Very low40.5Very low157 Ų157131 Ų13181%0.80574%0.736SS**  trans90.1132.9-167.3-54.9165.9000112.8
330Q42.8Very low40.6Very low141 Ų141134 Ų13466%0.65975%0.745SS**  cis159.4135-44.4173.7177.6-7.400109.8
331M41Very low40.5Very low156 Ų156136 Ų13677%0.76875%0.747SS**  trans150.9120.7144-80.9-57.6-15900108.9
332T39Very low41.2Very low106 Ų106136.4 Ų136.465%0.6575%0.747SS**  50.7139.770.125.40000114.8
333I41.8Very low41.2Very low165 Ų165136.4 Ų136.485%0.84675%0.747SS**  cis-119.3-138.123.4-35.2178.9000113
334S37.6Very low40.9Very low105 Ų105136.5 Ų136.573%0.73474%0.744SS**  trans-135.6-142.8-164.6-50.50000113.4
335P47.6Very low40.7Very low123 Ų123134.8 Ų134.880%0.79974%0.744SS**  trans-130.9-153.4-135.842.9-19.4000115.6
336D38Very low40.6Very low141 Ų141135.9 Ų135.975%0.75474%0.743SS**  trans116.2144.8144.3-153.412.4000118.6
337S37.1Very low40.3Very low99 Ų99137.8 Ų137.869%0.69275%0.746SS**  trans52.7156.1158.663.90000121.5
338S37.3Very low39.6Very low91 Ų91134.4 Ų134.464%0.63674%0.736SS**  cis-159.9176.8-3166.70000109.3
339E37Very low39.2Very low155 Ų155134.2 Ų134.272%0.72474%0.735SS**  trans26.6126.8152.9-60.3150.1120.700121.2
340N40.3Very low38.9Very low164 Ų164134.1 Ų134.188%0.87773%0.731SS**  -174.8166.398.7-100.4-76.5000114
341D38.8Very low38.4Very low155 Ų155135.7 Ų135.783%0.82974%0.739SS**  trans-88.7167.6-166.3-100.4-49000116
342P49.2Very low38.2Very low101 Ų101135.1 Ų135.166%0.65674%0.744SS**  trans-98.4165.9-17039.3-37.3000115.3
343N38.3Very low37.7Very low152 Ų152135.4 Ų135.481%0.81375%0.749SS**  trans-158.8157.7154.2-94.4-70.7000108.4
344N35.7Very low37.3Very low120 Ų120133 Ų13364%0.64275%0.746SS**  cis147.8106.6-1317219000107.3
345S35.8Very low37.3Very low103 Ų103132.8 Ų132.872%0.7274%0.744SS**  trans-172.3120.9164.4-169.50000107.2
346Y38.6Very low36.9Very low185 Ų185134.7 Ų134.773%0.72574%0.743SS**  56.1126.371.1-65.7-65.6000113
347D35.7Very low36.7Very low127 Ų127134.1 Ų134.168%0.67974%0.744SS**  cis-167.6-177.8-6.8-151.4-16.6000111.7
348I37.3Very low36.6Very low134 Ų134133.8 Ų133.869%0.68775%0.747SS**  trans70.597.4148.9-69.8159.9000119.7
349N32Very low36.5Very low138 Ų138135.8 Ų135.874%0.73876%0.756SS**  71.4160.4113.7-151.912.7000122.7
350Q35.7Very low36.4Very low155 Ų155134 Ų13472%0.72476%0.761SS**  trans75.4107.9175.9-56.3179.5114.200114.6
351Q33.1Very low36.1Very low174 Ų174130.5 Ų130.581%0.81376%0.755SS**  64.7104.575.1-72.3-173.2-22.200114.4
352T36.6Very low36.1Very low145 Ų145128.1 Ų128.189%0.8975%0.75SS**  trans-159.1150139.2-74.70000108.1
353C28.6Very low35.4Very low111 Ų111128.5 Ų128.575%0.7576%0.755SS**  trans-87.4164.6-177.8-56.70000112.7
354C34Very low35.2Very low116 Ų116126.7 Ų126.778%0.78475%0.753SS**  144.7138.4128.3-77.20000113.6
355S36.8Very low35.1Very low99 Ų99126.3 Ų126.369%0.69276%0.76SS**  trans59.8149.2151.5-680000120.4
356E38.2Very low35Very low164 Ų164126.3 Ų126.377%0.76676%0.76SS**  cis-159.6160.6-26.5-123.8163.3142.200110.2
357T33.9Very low34.7Very low128 Ų128123.1 Ų123.179%0.78576%0.763SS**  trans16.3111.9149.2-47.80000120
358A36.7Very low34.7Very low92 Ų92122.8 Ų122.876%0.7677%0.77SS**  -174.5139.4120.700000114.6
359T33.3Very low34.4Very low133 Ų133127 Ų12782%0.81678%0.778SS**  trans-41.3145.8164.146.80000115
360S37Very low34.6Very low118 Ų118129.3 Ų129.383%0.82578%0.782SS**  -172.2179.96249.50000113.7
361A33.9Very low34.4Very low91 Ų91127 Ų12775%0.75278%0.782SS**  trans-54.8151.2-173.700000114.5
362S37.7Very low34.3Very low105 Ų105125 Ų12573%0.73479%0.785SS**  -178.1158.858.750.30000115.6
363S35.6Very low34.3Very low109 Ų109124 Ų12476%0.76278%0.784SS**  trans75.7157.4155.480.30000120.9
364C32.2Very low34.7Very low113 Ų113124.1 Ų124.176%0.76479%0.785SS**  trans7274.1157.3-65.30000122.1
365S34.3Very low34.8Very low112 Ų112124 Ų12478%0.78379%0.785SS**  94.8151.3116.283.90000122.5
366S34.3Very low34.6Very low104 Ų104125.5 Ų125.573%0.72780%0.795SS**  trans82.3147.9165.285.10000119.7
367C32.8Very low34.5Very low117 Ų117124.2 Ų124.279%0.79180%0.802SS**  trans74.7153.3160.6-63.10000121
368C34.4Very low34.7Very low121 Ų121122.7 Ų122.782%0.81880%0.803SS**  trans67.496.7164.9-620000120.8
369Y32.5Very low34.7Very low221 Ų221129.9 Ų129.987%0.86781%0.812SS**  36.8152.7121.3-102.5-92.6000123.7
370F34.2Very low34.9Very low188 Ų188126.8 Ų126.883%0.82581%0.806SS**  trans98.9148.5159.1-96.7-83.2000121.8
371C31.8Very low34.7Very low106 Ų106125.3 Ų125.372%0.71681%0.81SS**  trans1.5126.9178.3-83.80000122.2
372C31.5Very low34.9Very low131 Ų131124.9 Ų124.989%0.88581%0.814SS**  trans-141.184.7144.4-1380000110
373C36.7Very low34.7Very low126 Ų126125.3 Ų125.385%0.85182%0.817SS**  trans-149.4101169.8-88.60000108.8
374S37.3Very low34.8Very low112 Ų112128.1 Ų128.178%0.78382%0.823SS**  trans-75.3174.7177.5-46.70000112.5
375S35.7Very low35Very low113 Ų113126.8 Ų126.879%0.7982%0.815SS**  trans79.569.6159.4-49.70000117.8
376C33.5Very low35Very low132 Ų132127 Ų12789%0.89282%0.815SS**  trans-144.374.3153.2-94.60000110.6A378C376-A378 PolarHBondContact O-N 3.43Å
377C35.2Very low35.1Very low136 Ų136127.6 Ų127.692%0.91982%0.818SS**  trans-80.191.9168.2-64.60000109.3
378A38Very low35.3Very low96 Ų96128.1 Ų128.179%0.79382%0.823SS**  trans-84.3120.3173.700000110.4C376 G380C376-A378 PolarHBondContact O-N 3.43Å; A378-G380 PolarHBondContact O-N 2.83Å
379Y36.1Very low35.4Very low243 Ų243126.1 Ų126.195%0.95382%0.823SS**  trans-75.8115164-106.1-97.3000108.8
380G37.5Very low35.7Very low68 Ų68120.8 Ų120.870%0.70182%0.818SS**  trans-122.6131.3168.200000108.7A378A378-G380 PolarHBondContact O-N 2.83Å
381G34.3Very low36Very low88 Ų88118.2 Ų118.291%0.90782%0.817SS**  trans-73.6146-16700000114.8
382G36.4Very low36.4Very low81 Ų81118.2 Ų118.284%0.83582%0.819SS**  trans-112.5137.9161.100000109.8
383S35.1Very low36.7Very low114 Ų114115 Ų11580%0.79781%0.808SS**  trans-87.7148.6-177.351.90000113.3
384L38Very low37Very low168 Ų168119.1 Ų119.188%0.8881%0.812SS**  trans159.9139.8156.1-88.7157.8000105.2
385S36.3Very low37Very low85 Ų85117.7 Ų117.759%0.59482%0.815SS**  cis165.3160.4-11.746.70000105.7
386C32.9Very low37.2Very low116 Ų116117.7 Ų117.778%0.78482%0.815SS**  trans82.2147.7163.1-51.40000120.3
387C36.3Very low37.6Very low117 Ų117119.7 Ų119.779%0.79182%0.817SS**  trans75.681.1156.8-61.30000121.1
388S36.9Very low37.7Very low128 Ų128118.4 Ų118.490%0.89581%0.809SS**  47.4118.6114.5-48.60000121.6
389G37.2Very low38.1Very low79 Ų79119.1 Ų119.181%0.81481%0.809SS**  trans-163.6126.916000000110.2
390S39Very low38.2Very low109 Ų109113.6 Ų113.676%0.76280%0.796SS**  trans-106179.1-159.8-58.40000115.1
391T40.8Very low38.2Very low134 Ų134117.3 Ų117.382%0.82280%0.798SS**  trans82.8150.6167.173.80000117.6
392S39.2Very low38.3Very low106 Ų106118.5 Ų118.574%0.74179%0.792SS**  175.8135.9-53.7460000109.2
393G39.3Very low38.3Very low65 Ų65122.4 Ų122.467%0.6779%0.793SS**  trans161.676178.700000112.3
394F41.2Very low38.3Very low211 Ų211124.4 Ų124.493%0.92580%0.795SS**  66.7115.895.6-72.2-60.2000114.5
395G39Very low38.2Very low82 Ų82120.6 Ų120.685%0.84578%0.782SS**  trans172.924.9178.100000115.7
396S38.9Very low38.2Very low113 Ų113121.9 Ų121.979%0.7979%0.791SS**  trans-84.1148.3-178.1-52.30000112.4
397N42.8Very low38.6Very low175 Ų175123.3 Ų123.394%0.93680%0.796SS**  trans-153.9139.3137.4-100.2-29.2000109.7
398S37.2Very low38.6Very low109 Ų109124.6 Ų124.676%0.76280%0.795SS**  trans-150.6131.6-173179.10000109.9
399S45.3Very low38.7Very low111 Ų111129.4 Ų129.478%0.77680%0.795SS**  trans174.1164.6164.440.40000109.7
400D38.7Very low38.7Very low127 Ų127130.2 Ų130.268%0.67979%0.789SS**  cis-168.9149.7-49-111.3-51.6000107.8
401I37.1Very low38.5Very low146 Ų146135.5 Ų135.575%0.74979%0.792SS**  trans42.7101.5153.2-51.5167.7000118.8
402S37Very low38.1Very low113 Ų113135.6 Ų135.679%0.7979%0.792SS**  trans-169.6117.5139.722.80000108.9
403L36.6Very low38.3Very low162 Ų162140 Ų14085%0.84880%0.798SS**  71.5109.375.2-77.9176.6000116
404N34.2Very low38.1Very low156 Ų156141.6 Ų141.683%0.83480%0.799SS**  trans92158.3140.5-136.54.2000121.3
405S37Very low38Very low89 Ų89139 Ų13962%0.62280%0.795SS**  trans78.372.6156.3-55.70000121.8
406S35.6Very low37.9Very low111 Ų111140.6 Ų140.678%0.77679%0.788SS**  19.8131.2124.661.10000122.4
407V41.6Very low37.9Very low146 Ų146146.6 Ų146.689%0.88580%0.795SS**  trans-140.1149147.9-167.50000110.3
408N36.9Very low37.7Very low145 Ų145145.8 Ų145.878%0.77579%0.785SS**  trans-100.1147.1-171.8-67.1-85.6000114.5
409Y37.5Very low38Very low229 Ų229148.3 Ų148.390%0.89879%0.79SS**  trans-164.8134.8143.5-98.7-85.5000108.4
410S38.1Very low37.7Very low96 Ų96151 Ų15167%0.67179%0.788SS**  cis-161.2142.7-13.9-130.30000114.1
411R35.2Very low38Very low220 Ų220154.1 Ų154.183%0.8380%0.796SS**  trans45.2113.4148.5-175.4168.4-81.1-172.2-5.6120.8
412T31.3Very low38.2Very low136 Ų136154.2 Ų154.283%0.83479%0.793SS**  trans-77162155.745.70000113.3
413K43.9Very low38.4Very low199 Ų199156.4 Ų156.487%0.86579%0.79SS**  trans-142.1157.7155.4-98.3-165.9174-172.50110.2
414S35.2Very low38.7Very low98 Ų98155.5 Ų155.569%0.68579%0.786SS**  trans-86.3156.9-168.756.70000114.2
415N39.5Very low38.8Very low156 Ų156153 Ų15383%0.83478%0.78SS**  -169.4149104.7-90.2-4.1000112.9
416T37.2Very low39Very low115 Ų115153.5 Ų153.571%0.70678%0.783SS**  trans-88.9144.8-176.2-48.50000111.5
417Y38.3Very low39.1Very low239 Ų239155.5 Ų155.594%0.93779%0.785SS**  trans-154.7141.5141-112.1-73.5000111.9
418H38.8Very low38.8Very low159 Ų159154.9 Ų154.974%0.73679%0.786SS**  trans-93.2146.9-176.2-102-75.9000113
419N42.9Very low38.8Very low161 Ų161154.6 Ų154.686%0.86179%0.789SS**  trans-149.9171.3134.9-135.3-57.2000112.4
420K39.5Very low38.8Very low168 Ų168149.6 Ų149.673%0.7379%0.787SS**  trans-148.9118.4-143.6177.6-176.1178-179.20115.6
421K44.3Very low38.8Very low193 Ų193153.3 Ų153.384%0.83979%0.793SS**  trans178.9124.3154.6-102.4165.2-178.6-177.20107.3
422Q40.8Very low38.9Very low148 Ų148150 Ų15069%0.69279%0.792SS**  57.812261.3-62.9-173-25.400111.9
423H43Very low39.5Very low159 Ų159151.1 Ų151.174%0.73679%0.793SS**  cis-146.6165.538.4-81.5-98000115.9
424N41.7Very low39.3Very low143 Ų143150.7 Ų150.777%0.76579%0.791SS**  trans4.2154.2140.9-62.124.1000120
425C36.5Very low39.5Very low104 Ų104151 Ų15170%0.70379%0.788SS**  cis-162.1165.317.7-1380000115.3
426S41Very low39.6Very low98 Ų98150.5 Ų150.569%0.68579%0.786SS**  trans68.9100.8144.8-57.60000122.6
427N38Very low39.7Very low154 Ų154152.8 Ų152.882%0.82479%0.789SS**  36.7125.2124.1-585.5000122.1
428C34.6Very low39.8Very low133 Ų133148.6 Ų148.690%0.89978%0.781SS**  -160.4124.5128.6-109.30000109.5
429T36.7Very low39.9Very low138 Ų138146.6 Ų146.685%0.84779%0.785SS**  trans-145.2102.1-174.349.30000113.4
430C37.9Very low39.7Very low124 Ų124147.9 Ų147.984%0.83878%0.783SS**  trans-176.2148.5164.849.20000108.1
431H39.5Very low39.3Very low175 Ų175145.7 Ų145.781%0.8179%0.787SS**  cis-152.9141.8-14.4-149.3-78.8000107.7
432D37.3Very low38.8Very low149 Ų149141.1 Ų141.180%0.79778%0.779SS**  trans-73.3146170.2-80.6-64.4000111.5
433N44Very low38.7Very low161 Ų161141.4 Ų141.486%0.86178%0.783SS**  trans-159.6150.3148.1-107.1-35.6000112.9
434K39.5Very low38.2Very low190 Ų190141.1 Ų141.183%0.82679%0.787SS**  trans-84.9178.2177.7-61.2174.2167.2179.50111.2
435T39.3Very low38Very low103 Ų103143.6 Ų143.663%0.63279%0.787SS**  cis-161.5160.913.3-15.30000111.1
436D41.4Very low37.9Very low146 Ų146146 Ų14678%0.78179%0.793SS**  trans68.5164.5141.7-65.5-21.7000125.7
437E39.4Very low37.5Very low163 Ų163146.7 Ų146.776%0.76280%0.796SS**  trans71.180162.1-68.6-71.683.500121.6
438I39.3Very low37.4Very low151 Ų151143.9 Ų143.977%0.77479%0.789SS**  trans3.9124.2131.3-57.1161.9000117.7
439S40.6Very low37.4Very low118 Ų118144.2 Ų144.283%0.82579%0.787SS**  trans-152.2158.9136.763.20000112
440K38.5Very low37.3Very low188 Ų188146.4 Ų146.482%0.81779%0.787SS**  trans-116.2144175.8-62.4174-178.4171.10109.2
441C31.7Very low37.1Very low122 Ų122151.3 Ų151.382%0.82479%0.788SS**  172.8166111.9-93.70000113.6
442S34.3Very low37.1Very low96 Ų96147.2 Ų147.267%0.67178%0.779SS**  trans12.7125.1168.1-57.40000121.1
443M37.9Very low36.9Very low155 Ų155149.5 Ų149.576%0.76478%0.778SS**  trans-119100.3153.2-90.7-72.3162.200109.6Y445M443-Y445 HydrophobicContact CB-CD2 4.23Å; M443-Y445 HydrophobicContact CB-CE2 4.4Å; M443-Y445 HydrophobicContact CG-CE2 4.4Å; M443-Y445 PolarHBondContact O-N 3.04Å; M443-Y445 HydrophobicContact SD-CD2 4.3Å; M443-Y445 HydrophobicContact SD-CE2 3.67Å
444D33.8Very low36.6Very low152 Ų152152.9 Ų152.981%0.81378%0.78SS**  trans-83.590.1173.3-79-64.8000110.6N446D444-N446 PolarHBondContact O-N 3.43Å
445Y37.2Very low36.4Very low195 Ų195151.4 Ų151.477%0.76578%0.776SS**  trans-88.889.9174.8-92.4-72.7000112.8M443M443-Y445 HydrophobicContact CB-CD2 4.23Å; M443-Y445 HydrophobicContact CB-CE2 4.4Å; M443-Y445 HydrophobicContact CG-CE2 4.4Å; M443-Y445 PolarHBondContact O-N 3.04Å; M443-Y445 HydrophobicContact SD-CD2 4.3Å; M443-Y445 HydrophobicContact SD-CE2 3.67Å
446N33.8Very low36.3Very low155 Ų155154 Ų15483%0.82978%0.781SS**  trans-66.9122.9154-173.610.1000108.7D444D444-N446 PolarHBondContact O-N 3.43Å
447C32.1Very low36.1Very low112 Ų112153.6 Ų153.676%0.75777%0.774SS**  trans-139.1114.2179.6-165.70000111.9
448S36.1Very low35.8Very low96 Ų96151.9 Ų151.967%0.67178%0.78SS**  trans-69.5145.4179.3-65.30000113.1H450S448-H450 PolarHBondContact O-N 3.11Å
449T34.4Very low35.7Very low140 Ų140155.8 Ų155.886%0.85979%0.785SS**  trans-9.1103.7150.8-50.50000115.2
450H36.2Very low35.5Very low184 Ų184161.8 Ų161.885%0.85279%0.79SS**  trans-120.3125.7164.4-125.5-97.7000112.1S448S448-H450 PolarHBondContact O-N 3.11Å
451R33.2Very low35.3Very low226 Ų226156.8 Ų156.885%0.85378%0.784SS**  trans-110.898-173.4179.7-168.5-176.6-154.33.6109.3
452S38.3Very low35.6Very low90 Ų90158.6 Ų158.663%0.62979%0.785SS**  trans-141.2117.6164.6-161.10000108.5
453Y34.6Very low35.7Very low196 Ų196160.3 Ų160.377%0.76978%0.782SS**  53.577.875.9-98.1-73.4000113.8
454Y36.2Very low35.6Very low232 Ų232162 Ų16291%0.9179%0.786SS**  trans-130.7140.5146.9-96-77.6000110.2
455H35.6Very low35.9Very low159 Ų159164.5 Ų164.574%0.73678%0.784SS**  trans-130.8103-163.4172.1-75.7000108.9
456H38Very low36.1Very low158 Ų158164.5 Ų164.573%0.73178%0.784SS**  trans-142.6104.6176.9-121-92.2000115
457Q37.1Very low37Very low137 Ų137162.8 Ų162.864%0.6478%0.781SS**  trans48.3104.2142.6-59.5-176.76.600119.5R459Q457-R459 PolarHBondContact O-N 3.3Å
458S32.3Very low37.3Very low128 Ų128166.6 Ų166.690%0.89579%0.788SS**PPolyproline II helixtrans-57.2118.1151.4-51.90000111
459R37.8Very low37.6Very low233 Ų233169.5 Ų169.588%0.87980%0.795SS**PPolyproline II helixtrans-91.9146.6157.5-80.8-162.9173-144.7-0.2110.7Q457Q457-R459 PolarHBondContact O-N 3.3Å
460R36.4Very low37.7Very low244 Ų244168.8 Ų168.892%0.92179%0.793SS**PPolyproline II helixtrans-84.1162.9-173.7-69.9177.4169.6127.2-5.8112.2
461A35.1Very low37.8Very low83 Ų83169.3 Ų169.369%0.68680%0.795SS**  trans-12.2161.216200000120.9
462N37.8Very low37.8Very low159 Ų159165.8 Ų165.885%0.8580%0.799SS**  trans75.8146.6178.3-48.3-17.4000112.7
463E36.6Very low37.7Very low132 Ų132165 Ų16562%0.61781%0.806SS**  cis-144.4132.411.8-165.1178.1149.100110.1R465E463-R465 HydrophobicContact CG-CG 4.38Å; E463-R465 IonicContact OE1-CZ 2.77Å; E463-R465 IonicContact OE1-NE 3.12Å; E463-R465 PolarHBondContact OE1-NE 2.98Å; E463-R465 IonicContact OE1-NH2 2.71Å; E463-R465 PolarHBondContact OE1-NH2 3.17Å; E463-R465 IonicContact OE2-NH2 2.92Å
464F35.4Very low37.8Very low192 Ų192164.6 Ų164.684%0.84281%0.811SS**  trans-105.581.9-176.8-137.1-74.6000110.5
465R40.8Very low37.5Very low204 Ų204159.2 Ų159.277%0.7780%0.802SS**PPolyproline II helixtrans-80.6122.2176.6-69.9-164.9-176-168.22.6111.9E463E463-R465 HydrophobicContact CG-CG 4.38Å; E463-R465 IonicContact OE1-CZ 2.77Å; E463-R465 IonicContact OE1-NE 3.12Å; E463-R465 PolarHBondContact OE1-NE 2.98Å; E463-R465 IonicContact OE1-NH2 2.71Å; E463-R465 PolarHBondContact OE1-NH2 3.17Å; E463-R465 IonicContact OE2-NH2 2.92Å
466Y40.4Very low37.5Very low194 Ų194159.2 Ų159.276%0.76181%0.808SS**PPolyproline II helixtrans-82.3151.3154.1-88.2-97.9000109.6
467P53.7Low37.3Very low119 Ų119157.4 Ų157.477%0.77380%0.802SS**PPolyproline II helixtrans-66.2132.7168.2-16.230.7000110.8
468Q37.7Very low37.3Very low193 Ų193157.9 Ų157.990%0.90281%0.809SS**PPolyproline II helixtrans-85.6149.6166.9-73.9-177.6-92.600110.8
469L41.4Very low37.3Very low156 Ų156156.4 Ų156.482%0.81780%0.799SS**PPolyproline II helixtrans-75.6149.7165.2-80.772.8000109.7
470P36.6Very low37.2Very low126 Ų126151.9 Ų151.982%0.81879%0.792SS**PPolyproline II helixtrans-72.2147.3179.630.7-35.5000112
471Q39.7Very low37.3Very low194 Ų194149.1 Ų149.191%0.90779%0.79SS**  trans-125.1140.3161.4-72.8-172.2-9.600109.2
472T32.1Very low37.3Very low152 Ų152148.9 Ų148.993%0.93380%0.795SS**  trans-79.9139.3176.6360000110.9
473G36.1Very low37.4Very low75 Ų75148.8 Ų148.877%0.77379%0.789SS**  trans-132.5148.5174.900000110
474Q36.7Very low37.5Very low187 Ų187151 Ų15187%0.87480%0.797SS**  trans-97.1145.2-163.6-67.7176.1-55.700114.2
475V30.2Very low37.6Very low118 Ų118145.3 Ų145.372%0.71579%0.792SS**  trans31.8120.6135.3-174.10000117.8I477V475-I477 HydrophobicContact CG1-CD1 4.36Å; V475-I477 HydrophobicContact CG1-CG1 3.98Å
476N35.1Very low37.5Very low160 Ų160140.4 Ų140.486%0.85680%0.795SS**  -138.3159.6128.1-150.5-5.8000110.7
477I34.4Very low37.4Very low119 Ų119136.2 Ų136.261%0.6179%0.794SS**  trans-110.9148.1-163.7-60161.9000109.8V475V475-I477 HydrophobicContact CG1-CD1 4.36Å; V475-I477 HydrophobicContact CG1-CG1 3.98Å
478N36.9Very low36.7Very low147 Ų147136.1 Ų136.179%0.78679%0.786SS**  trans178.3116.7133.4-87.3-16000112.7
479S33.3Very low36.8Very low98 Ų98135.1 Ų135.169%0.68578%0.779SS**  trans27.1124.3137.8-29.70000119.2
480N35.5Very low36.8Very low138 Ų138133.6 Ų133.674%0.73878%0.776SS**  -159.4145.464.7-92.2-0.8000114.9
481E37.7Very low36.9Very low186 Ų186135.2 Ų135.287%0.86978%0.778SS**  trans45127.5136.9-53-173.9147.700122.4
482G35Very low36.9Very low77 Ų77129 Ų12979%0.79477%0.766SS**  trans157.885.2166.900000116
483E39.3Very low37.3Very low157 Ų157128.9 Ų128.973%0.73476%0.76SS**  trans-0.9155.1158-55.1-165.3118.700121.9
484K40.2Very low37.8Very low180 Ų180130.5 Ų130.578%0.78376%0.759SS**  cis-169.5159.6-9.2-109.8171.1179.5158.90109
485G36.9Very low38Very low71 Ų71125.2 Ų125.273%0.73276%0.755SS**  trans91.9113.3169.800000114
486A38.5Very low38.4Very low101 Ų101125.5 Ų125.584%0.83575%0.752SS**  74.3131.264.900000113.4
487S38.4Very low38.5Very low106 Ų106126.1 Ų126.174%0.74175%0.747SS**  cis-169.2-169.2-752.10000107.9
488I38.3Very low38.8Very low117 Ų117126.9 Ų126.960%0.675%0.749SS**  cis-166.2158.411.1-151.7164.4000111
489F40Very low38.8Very low173 Ų173127.3 Ų127.376%0.75975%0.746SS**  trans59.8163.7159.4-62.8-32.9000119.6
490T42Very low39.1Very low124 Ų124126.3 Ų126.376%0.76174%0.738SS**  cis-169.9168.6-14.128.80000107.5
491N39.3Very low39.3Very low159 Ų159126.4 Ų126.485%0.8574%0.739SS**  cis-177.6148.4-29.3178.426.8000109.1
492G38.9Very low39.2Very low64 Ų64124.8 Ų124.866%0.6674%0.736SS**  trans87.8165.9156.200000119.4
493N41.6Very low39.3Very low150 Ų150125.5 Ų125.580%0.80273%0.725SS**  cis-166.1148.4-17.8-167.111.8000112.5
494S45.5Very low39.3Very low109 Ų109125.8 Ų125.876%0.76273%0.726SS**  trans54.1156.5156.1-67.40000119.9
495G40.3Very low39.1Very low75 Ų75124.2 Ų124.277%0.77372%0.722SS**  cis168-175.92.500000108
496N39.8Very low38.9Very low124 Ų124125.5 Ų125.566%0.66372%0.716SS**  cis-164.8-174.4-18.3-168.813.6000108
497F36.3Very low38.6Very low173 Ų173125 Ų12576%0.75971%0.706SS**  trans74.4120.2177.4-63.8-87.9000115.8
498Q40.8Very low38.4Very low136 Ų136129.1 Ų129.164%0.63671%0.707SS**  cis96.5146.815.2-57.7-168.1-63.900118.1
499H37.5Very low38.3Very low156 Ų156129.7 Ų129.772%0.72272%0.715SS**  trans76.3149.6161.9-69.4-71.7000120.2
500S38.7Very low38.3Very low76 Ų76127.4 Ų127.453%0.53172%0.716SS.*  -178.1150.6-54.2480000112.8
501N39.6Very low38.1Very low141 Ų141127 Ų12775%0.75472%0.718SS**  trans75.1142.4152.9-58-17.2000121.3
502N36.7Very low38Very low151 Ų151123 Ų12381%0.80771%0.714SS**  trans67.3158.6146.9-77.4-5.7000119.9
503T37Very low38.2Very low92 Ų92127.6 Ų127.656%0.56472%0.719SS**  cis-174.7147.5-29.7-99.10000107.6
504Q39.2Very low38Very low163 Ų163126.4 Ų126.476%0.76271%0.712SS**  trans62.7171.7173.3-78.7172.386.100114.7
505Q35.2Very low37.6Very low148 Ų148128.1 Ų128.169%0.69271%0.713SS**  cis-164.1147.6-34.7178177.585.400108.6
506T33.3Very low37.2Very low98 Ų98129.7 Ų129.760%0.60171%0.712SS**  trans49.8114.4162.850.30000122.7
507S31.5Very low37.1Very low90 Ų90131.2 Ų131.263%0.62972%0.718SS**  78.8-180127.571.10000122
508Y34.2Very low37.2Very low193 Ų193128.6 Ų128.676%0.75772%0.716SS**  trans88.6107.6173.2-39.9-61.1000119.3
509V36.8Very low36.8Very low128 Ų128128.9 Ų128.978%0.77672%0.722SS**  trans18.7143.7137-1100000119.5
510T40Very low36.9Very low125 Ų125127.3 Ų127.377%0.76772%0.718SS**  cis-168.6157.442.6-29.60000114.6
511S38.1Very low36.9Very low115 Ų115130.1 Ų130.180%0.80473%0.727SS**  trans74.3136.2148-149.70000120.6
512G37.7Very low36.7Very low75 Ų75130.8 Ų130.877%0.77373%0.726SS**  trans164.146.5-179.300000116.3
513Q42Very low36.7Very low162 Ų162128.9 Ų128.976%0.75772%0.724SS**  trans-20.4145.7170.3-65177.4-1000117.9
514N37.1Very low36.8Very low124 Ų124129 Ų12966%0.66373%0.734SS**  cis-163158.64-106.2-11000112.7
515N37.8Very low36.7Very low146 Ų146126.8 Ų126.878%0.78174%0.737SS**  trans59.297.4151.4-59.23.5000120.9
516S31.6Very low37Very low108 Ų108125.1 Ų125.176%0.75574%0.739SS**  trans-86.1156141.7175.70000110.1
517I37.5Very low37.1Very low155 Ų155127.3 Ų127.380%0.79575%0.745SS**  trans173.5111.9150.6-96.5155.8000107.1
518V39.2Very low37.4Very low118 Ų118127.7 Ų127.772%0.71575%0.754SS**  58128.493.9172.30000111.6
519N32.8Very low37.6Very low142 Ų142124.6 Ų124.676%0.75975%0.75SS**  cis169.9-167.4-3177.123.6000104
520I39.4Very low37.5Very low124 Ų124124.1 Ų124.164%0.63675%0.748SS**  trans73.5108155.9-30.9-176.2000118.3
521N37.5Very low37.4Very low135 Ų135125.6 Ų125.672%0.72275%0.751SS**  trans60.7167.6143.5-65.341.9000120.5
522E36.4Very low37.3Very low155 Ų155125.7 Ų125.772%0.72475%0.747SS**  cis-172.9156.6-31.3-179.6-177.1163.900109.2
523S36.8Very low37.4Very low110 Ų110128.5 Ų128.577%0.76975%0.749SS**  trans74.4167.7161.3810000121.1
524A39.8Very low36.9Very low95 Ų95126.8 Ų126.879%0.78575%0.75SS**  trans73.187.6160.600000121.5
525S35.6Very low37Very low117 Ų117126.4 Ų126.482%0.81875%0.752SS**  trans-71.4162.8142-37.30000109.9
526P41.3Very low37Very low112 Ų112123.5 Ų123.573%0.72774%0.743SS**  -156.9158.168.341.1-19.6000120
527I35.3Very low37.2Very low144 Ų144125.7 Ų125.774%0.73875%0.746SS**  trans33.9114.6134.2-49167.5000120.8
528A39.3Very low37.1Very low98 Ų98125.5 Ų125.581%0.8175%0.752SS**  trans-158.6118.4134.300000108.2
529N36.8Very low36.9Very low128 Ų128125.6 Ų125.668%0.68475%0.753SS**  84.8100.855.6-74.5-1.4000115.4
530T34.8Very low37.1Very low118 Ų118125.4 Ų125.472%0.72476%0.757SS**  trans47.3125.2140.856.40000120.9
531N38Very low36.9Very low157 Ų157126.3 Ų126.384%0.8477%0.769SS**  -167.717094.1-104.5-48.9000115.4
532V36.3Very low37.2Very low116 Ų116126.1 Ų126.170%0.70377%0.773SS**  trans-97.7144.9-175.3176.50000111.4
533T39.2Very low37.3Very low134 Ų134125.4 Ų125.482%0.82277%0.772SS**  trans-141.7125.8157.1-60.30000110
534T31.7Very low37.6Very low126 Ų126126.2 Ų126.277%0.77378%0.775SS**  trans-114.9127.8178.7-61.30000108.9
535T40.6Very low37.6Very low117 Ų117127.2 Ų127.272%0.71877%0.772SS**  trans-140.788.3178.8-44.80000112.4
536S36.8Very low37.9Very low85 Ų85131.1 Ų131.159%0.59477%0.768SS**  trans30.4115.4144.957.20000121.7
537L35.9Very low37.9Very low153 Ų153138.1 Ų138.180%0.80178%0.78SS**  53.5119.5129.5-69.5122.1000121
538T36.2Very low38.2Very low151 Ų151139.6 Ų139.693%0.92678%0.778SS**  -149.6135.4125.500000109.9
539T34.7Very low38.3Very low121 Ų121142 Ų14274%0.74278%0.777SS**  trans-102.3126.6-172.646.50000112.5
540T37Very low38.7Very low138 Ų138146.7 Ų146.785%0.84779%0.785SS**  trans-131.7113.7159.833.40000110.8
541T35.5Very low39.4Very low143 Ų143151.8 Ų151.888%0.87779%0.791SS**  trans-84.2115.2-178.3350000111.1
542T42.5Very low40.2Very low131 Ų131149.6 Ų149.680%0.80478%0.783SS**  trans-129.3150.4170.955.60000111.7
543I40.3Very low41.5Very low139 Ų139150.2 Ų150.271%0.71379%0.787SS**  trans-98.9127.5-155.2-53.9167.5000111.5T545I543-T545 HydrophobicContact CG2-CG2 3.84Å; I543-T545 PolarHBondContact O-N 3.26Å
544P41.4Very low42.5Very low127 Ų127149.9 Ų149.983%0.82578%0.78SS**  trans-81.272.3-179.632.5-35.8000113.6R546P544-R546 PolarHBondContact O-N 3.43Å
545T40.5Very low44.2Very low117 Ų117148.8 Ų148.872%0.71878%0.775SS**  trans-94.762.5-178.437.80000115.3I543I543-T545 HydrophobicContact CG2-CG2 3.84Å; I543-T545 PolarHBondContact O-N 3.26Å
546R41.9Very low45Very low199 Ų199149.1 Ų149.175%0.75178%0.779SS**  trans-161.4108.3152.7-119.7168.1179.7-159-1.8114.6P544 Y548P544-R546 PolarHBondContact O-N 3.43Å; R546-Y548 HydrophobicContact CB-CD2 4.34Å; R546-Y548 HydrophobicContact CG-CD2 4.32Å; R546-Y548 PolarHBondContact O-N 3.01Å
547R41Very low46Very low259 Ų259149.7 Ų149.798%0.97778%0.778SS**  trans-76.169.6169.5-155.1178.7-157.8178.57.7110.4N549R547-N549 PolarHBondContact O-N 3.45Å
548Y41.4Very low47Very low174 Ų174152.3 Ų152.368%0.68278%0.778SS**  trans-62.6129.9178.7-120.5-81.2000110.2R546 R550R546-Y548 HydrophobicContact CB-CD2 4.34Å; R546-Y548 HydrophobicContact CG-CD2 4.32Å; R546-Y548 PolarHBondContact O-N 3.01Å; Y548-R550 VanDerWaalsContact C-N 3.25Å; Y548-R550 PolarHBondContact O-N 3.47Å
549N42.6Very low48Very low150 Ų150150.4 Ų150.480%0.80276%0.76SS**  trans-79.274.1-175.3-162.9-18.3000110.6R547 R551R547-N549 PolarHBondContact O-N 3.45Å; N549-R551 VanDerWaalsContact C-N 3.3Å; N549-R551 PolarHBondContact O-N 3.2Å
550R45.5Very low49.1Very low225 Ų225149.4 Ų149.485%0.84975%0.754SS**  trans-65.188.8171.1-81.3-173.3173.1176.4-1.7109.3Y548 V552Y548-R550 VanDerWaalsContact C-N 3.25Å; Y548-R550 PolarHBondContact O-N 3.47Å; R550-V552 VanDerWaalsContact C-N 3.35Å; R550-V552 PolarHBondContact O-N 2.97Å; R550-V552 VanDerWaalsContact O-N 3.08Å
551R48.5Very low50.2Low225 Ų225151.6 Ų151.685%0.84975%0.754SS**  trans-58.8107.7143.2-82.1-172.2173.3-171.4-2.5106.2N549 V553N549-R551 VanDerWaalsContact C-N 3.3Å; N549-R551 PolarHBondContact O-N 3.2Å; R551-V553 VanDerWaalsContact C-N 3.27Å; R551-V553 PolarHBondContact O-N 3.05Å
552V55.3Low51.9Low111 Ų111147.9 Ų147.967%0.67373%0.729SS**  trans-67.594.5168.5-179.30000106.6R550 L554R550-V552 VanDerWaalsContact C-N 3.35Å; R550-V552 PolarHBondContact O-N 2.97Å; R550-V552 VanDerWaalsContact O-N 3.08Å; V552-L554 VanDerWaalsContact C-N 3.29Å; V552-L554 HydrophobicContact CG1-CD2 3.93Å; V552-L554 HydrophobicContact CG1-CG 4.27Å; V552-L554 PolarHBondContact O-N 3.37Å; V552-L554 VanDerWaalsContact O-N 3.08Å
553V63.2Low53.6Low129 Ų129146.4 Ų146.478%0.78272%0.721SS**  trans-71.796.4163.3-179.80000105R551R551-V553 VanDerWaalsContact C-N 3.27Å; R551-V553 PolarHBondContact O-N 3.05Å
554L61.1Low55.4Low128 Ų128144.8 Ų144.867%0.6771%0.711SS**  trans-57.1137.7170.1-69.4171.4000108.2V552V552-L554 VanDerWaalsContact C-N 3.29Å; V552-L554 HydrophobicContact CG1-CD2 3.93Å; V552-L554 HydrophobicContact CG1-CG 4.27Å; V552-L554 PolarHBondContact O-N 3.37Å; V552-L554 VanDerWaalsContact O-N 3.08Å
555P65.5Low57.2Low103 Ų103139.8 Ų139.867%0.66968%0.678SS**  trans-53.2147172.1-25.334.6000110.7V557P555-V557 PolarHBondContact O-N 3.42Å
556P58Low59.1Low124 Ų124137.3 Ų137.381%0.80566%0.66SS**  trans-58111172.3-22.533.5000109.8R558P556-R558 PolarHBondContact O-N 2.87Å
557V58.1Low61.1Low96 Ų96131 Ų13158%0.58265%0.647SS**  trans-64.6109.1174.3179.60000107.1P555P555-V557 PolarHBondContact O-N 3.42Å
558R56Low63.1Low208 Ų208118.8 Ų118.879%0.78560%0.6SS**  trans-69.1136.4168.3-69.3-177.8172.3-179.2-3.9107.5P556 T560P556-R558 PolarHBondContact O-N 2.87Å; R558-T560 HydrophobicContact CB-CG2 4.21Å; R558-T560 PolarHBondContact O-N 3.13Å
559M58.1Low64.9Low112 Ų112112.5 Ų112.555%0.55258%0.578SS**  trans-74.163.8171-66.4-66.2-65.300109.8V565 L569M559-V565 HydrophobicContact CE-CG1 3.63Å; M559-V565 HydrophobicContact SD-CG1 4.06Å; M559-L569 HydrophobicContact CE-CD1 4.35Å
560T57.7Low66.9Low100 Ų100113.9 Ų113.961%0.61357%0.572SS**  trans-81.8129.7165.348.40000108R558 N562R558-T560 HydrophobicContact CB-CG2 4.21Å; R558-T560 PolarHBondContact O-N 3.13Å; T560-N562 PolarHBondContact O-N 3.47Å
561H60Low68.7Low183 Ų183105.3 Ų105.385%0.84754%0.542SS*.  trans-43.5112.7-178.3-50.6-69.3000111.5
562N71.3Confident70.2Confident66 Ų6695.5 Ų95.535%0.35351%0.506SS..  trans-138.7119.1-179.1173.7-13.3000105.8T560 E564 V565 D566T560-N562 PolarHBondContact O-N 3.47Å; N562-E564 PolarHBondContact O-N 2.87Å; N562-E564 WeakPolarHBondContact OD1-CB 3.48Å; N562-E564 PolarHBondContact OD1-N 3.02Å; N562-V565 HydrophobicContact CB-CB 4.34Å; N562-V565 HydrophobicContact CB-CG2 4.04Å; N562-V565 WeakPolarHBondContact O-CA 3.49Å; N562-V565 WeakPolarHBondContact O-CB 3.48Å; N562-V565 PolarHBondContact O-N 2.83Å; N562-D566 PolarHBondContact O-N 3.24Å
563P79Confident71.3Confident100 Ų10095.1 Ų95.165%0.64950%0.498SS*.Hα-helixtrans-59.3-24.5-174.224.3-34.7000113.2S567P563-S567 WeakPolarHBondContact O-CB 3.24Å; P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 PolarHBondContact O-OG 2.85Å
564E77.8Confident72.2Confident105 Ų10596.8 Ų96.849%0.49150%0.498SS..Hα-helixtrans-67.2-41.1172.5-167.6-173.2-176.500111.8N562 L568N562-E564 PolarHBondContact O-N 2.87Å; N562-E564 WeakPolarHBondContact OD1-CB 3.48Å; N562-E564 PolarHBondContact OD1-N 3.02Å; E564-L568 HydrophobicContact CG-CD1 4.41Å; E564-L568 VanDerWaalsContact O-CB 3.3Å; E564-L568 WeakPolarHBondContact O-CB 3.09Å; E564-L568 WeakPolarHBondContact O-CG 3.45Å; E564-L568 PolarHBondContact O-N 2.71Å
565V79.6Confident72.8Confident22 Ų2298.3 Ų98.313%0.13350%0.495CS..Hα-helixtrans-72.2-39.1179.1179.80000111M559 N562 L568 L569M559-V565 HydrophobicContact CE-CG1 3.63Å; M559-V565 HydrophobicContact SD-CG1 4.06Å; N562-V565 HydrophobicContact CB-CB 4.34Å; N562-V565 HydrophobicContact CB-CG2 4.04Å; N562-V565 WeakPolarHBondContact O-CA 3.49Å; N562-V565 WeakPolarHBondContact O-CB 3.48Å; N562-V565 PolarHBondContact O-N 2.83Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 3.03Å; V565-L569 HydrophobicContact CG1-CD1 4.34Å; V565-L569 PolarHBondContact O-N 3.48Å
566D79.8Confident73.1Confident64 Ų6497.1 Ų97.134%0.34248%0.482SS..Hα-helixtrans-72.2-31177.7-61.5-42.9000111.9N562 R570N562-D566 PolarHBondContact O-N 3.24Å; D566-R570 PolarHBondContact O-N 3.08Å
567S84.5Confident73.3Confident68 Ų6896.8 Ų96.848%0.47648%0.483SS..Hα-helixtrans-68.5-45.3168.8-59.10000111.3P563 L569 R570 E571P563-S567 WeakPolarHBondContact O-CB 3.24Å; P563-S567 PolarHBondContact O-N 3.48Å; P563-S567 PolarHBondContact O-OG 2.85Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 2.9Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.11Å; S567-E571 VanDerWaalsContact O-CB 3.28Å; S567-E571 WeakPolarHBondContact O-CB 3.34Å; S567-E571 PolarHBondContact O-N 3.09Å
568L81.4Confident73.4Confident1 Ų1100.2 Ų100.21%0.00549%0.493CS..Hα-helixtrans-56.7-42.4173.6-89.8164.2000112.7E564 V565 E571 I572 E594 L595E564-L568 HydrophobicContact CG-CD1 4.41Å; E564-L568 VanDerWaalsContact O-CB 3.3Å; E564-L568 WeakPolarHBondContact O-CB 3.09Å; E564-L568 WeakPolarHBondContact O-CG 3.45Å; E564-L568 PolarHBondContact O-N 2.71Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 3.03Å; L568-E571 PolarHBondContact O-N 2.91Å; L568-I572 WeakPolarHBondContact O-CB 3.14Å; L568-I572 WeakPolarHBondContact O-CD1 3.32Å; L568-I572 WeakPolarHBondContact O-CG1 3.24Å; L568-I572 PolarHBondContact O-N 3.15Å; L568-E594 HydrophobicContact CD2-CB 4.24Å; L568-E594 HydrophobicContact CD2-CG 3.34Å; L568-L595 HydrophobicContact CD1-CD2 4.14Å
569L80.7Confident73.5Confident42 Ų4290.7 Ų90.722%0.2246%0.459CS..Hα-helixtrans-60.6-49.2175.5-111.574.9000111M559 V565 S567 E571 I572 M573 M587 V591M559-L569 HydrophobicContact CE-CD1 4.35Å; V565-L569 HydrophobicContact CG1-CD1 4.34Å; V565-L569 PolarHBondContact O-N 3.48Å; S567-L569 VanDerWaalsContact C-N 3.33Å; S567-L569 PolarHBondContact O-N 2.9Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.95Å; L569-I572 PolarHBondContact O-N 2.88Å; L569-M573 WeakPolarHBondContact O-CB 3.45Å; L569-M573 VanDerWaalsContact O-CG 3.25Å; L569-M573 WeakPolarHBondContact O-CG 3.41Å; L569-M573 PolarHBondContact O-N 2.75Å; L569-M587 HydrophobicContact CD2-SD 4.49Å; L569-V591 HydrophobicContact CD1-CG2 3.76Å
570R83.3Confident73.6Confident179 Ų17992 Ų9268%0.67547%0.472SS*.Hα-helixtrans-59.3-45.6179.3-161.6-177.6-51.6-129.2-0.1111.6D566 S567 I572 M573 E574D566-R570 PolarHBondContact O-N 3.08Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.11Å; R570-I572 PolarHBondContact O-N 2.99Å; R570-M573 PolarHBondContact O-N 3.29Å; R570-E574 WeakPolarHBondContact O-CB 3.44Å; R570-E574 PolarHBondContact O-N 3.45Å
571E84.1Confident74.1Confident45 Ų4594.1 Ų94.121%0.2148%0.48CS..Hα-helixtrans-63.9-37.5177.8-171.6-171.8144.600112.8S567 L568 L569 R575 R598S567-E571 VanDerWaalsContact O-CB 3.28Å; S567-E571 WeakPolarHBondContact O-CB 3.34Å; S567-E571 PolarHBondContact O-N 3.09Å; L568-E571 PolarHBondContact O-N 2.91Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.95Å; E571-R575 WeakPolarHBondContact O-CG 3.5Å; E571-R575 PolarHBondContact O-N 3.46Å; E571-R575 IonicContact OE1-CZ 3.26Å; E571-R575 IonicContact OE1-NH1 3.5Å; E571-R575 PolarHBondContact OE1-NH1 3.01Å; E571-R575 IonicContact OE1-NH2 2.82Å; E571-R575 PolarHBondContact OE1-NH2 3.04Å; E571-R598 IonicContact OE1-NH2 3.76Å; E571-R598 PolarHBondContact OE1-NH2 3.32Å; E571-R598 IonicContact OE2-CZ 3.91Å; E571-R598 IonicContact OE2-NH2 2.96Å; E571-R598 PolarHBondContact OE2-NH2 2.85Å
572I79.6Confident74.5Confident20 Ų2088.7 Ų88.710%0.10345%0.454CS..Hα-helixtrans-70.5-39.3173.9-72.2166.1000111.2L568 L569 R570 N576 F582 A590 V591 E594L568-I572 WeakPolarHBondContact O-CB 3.14Å; L568-I572 WeakPolarHBondContact O-CD1 3.32Å; L568-I572 WeakPolarHBondContact O-CG1 3.24Å; L568-I572 PolarHBondContact O-N 3.15Å; L569-I572 PolarHBondContact O-N 2.88Å; R570-I572 PolarHBondContact O-N 2.99Å; I572-N576 PolarHBondContact O-N 3.23Å; I572-N576 PolarHBondContact O-ND2 2.9Å; I572-F582 HydrophobicContact CG2-CE2 4.26Å; I572-A590 HydrophobicContact CD1-CB 4.44Å; I572-A590 HydrophobicContact CG2-CB 4.31Å; I572-V591 HydrophobicContact CD1-CG2 3.94Å; I572-E594 HydrophobicContact CD1-CB 4.37Å
573M78.5Confident74.9Confident102 Ų10290.1 Ų90.150%0.50246%0.462SS..Hα-helixtrans-68.3-39177.7-72.2172.569.600112.5L569 R570 N576 A579L569-M573 WeakPolarHBondContact O-CB 3.45Å; L569-M573 VanDerWaalsContact O-CG 3.25Å; L569-M573 WeakPolarHBondContact O-CG 3.41Å; L569-M573 PolarHBondContact O-N 2.75Å; R570-M573 PolarHBondContact O-N 3.29Å; M573-N576 VanDerWaalsContact O-O 3.12Å; M573-A579 HydrophobicContact CB-CB 4.29Å; M573-A579 HydrophobicContact CG-CB 4.23Å
574E81Confident75Confident165 Ų16589.5 Ų89.577%0.77146%0.46SS*.Hα-helixtrans-72.5-39.1-179.6-173.8168.5-150.600112.5R570 N576R570-E574 WeakPolarHBondContact O-CB 3.44Å; R570-E574 PolarHBondContact O-N 3.45Å; E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 2.78Å
575R74.5Confident75.3Confident160 Ų16093.2 Ų93.260%0.60447%0.47SS*.Hα-helixtrans-70.7-23.7177.5-74.6-172.7-171.5124.213.2114.7E571E571-R575 WeakPolarHBondContact O-CG 3.5Å; E571-R575 PolarHBondContact O-N 3.46Å; E571-R575 IonicContact OE1-CZ 3.26Å; E571-R575 IonicContact OE1-NH1 3.5Å; E571-R575 PolarHBondContact OE1-NH1 3.01Å; E571-R575 IonicContact OE1-NH2 2.82Å; E571-R575 PolarHBondContact OE1-NH2 3.04Å
576N71.2Confident75.5Confident77 Ų7796.8 Ų96.841%0.41249%0.485SS..  trans-116.9101-176.3-64.5-84.8000109.2I572 M573 E574 Q578 A579I572-N576 PolarHBondContact O-N 3.23Å; I572-N576 PolarHBondContact O-ND2 2.9Å; M573-N576 VanDerWaalsContact O-O 3.12Å; E574-N576 VanDerWaalsContact C-N 3.33Å; E574-N576 PolarHBondContact O-N 2.78Å; N576-Q578 PolarHBondContact O-N 3.38Å; N576-A579 HydrophobicContact CB-CB 4.04Å; N576-A579 WeakPolarHBondContact O-CB 3.29Å; N576-A579 PolarHBondContact O-N 2.89Å
577S63.7Low75.6Confident117 Ų11797 Ų9782%0.81849%0.485SS*.THydrogen-bonded Turntrans-59.7-7.3176.654.80000114.9
578Q60.1Low75.7Confident168 Ų16897.8 Ų97.879%0.78548%0.481SS*.THydrogen-bonded Turntrans-101.2-1.9174.4-60.1-179.72.900113.6N576 V580 N581N576-Q578 PolarHBondContact O-N 3.38Å; Q578-V580 PolarHBondContact O-N 3.49Å; Q578-N581 PolarHBondContact O-N 3.05Å
579A57.5Low76Confident9 Ų9102.5 Ų102.57%0.07450%0.504CS..G310 helixtrans-64.3-14.1-17300000115.4M573 N576 N581 F582M573-A579 HydrophobicContact CB-CB 4.29Å; M573-A579 HydrophobicContact CG-CB 4.23Å; N576-A579 HydrophobicContact CB-CB 4.04Å; N576-A579 WeakPolarHBondContact O-CB 3.29Å; N576-A579 PolarHBondContact O-N 2.89Å; A579-N581 PolarHBondContact O-N 2.95Å; A579-F582 HydrophobicContact CB-CD2 3.77Å; A579-F582 HydrophobicContact CB-CE2 3.57Å; A579-F582 WeakPolarHBondContact O-CD2 3.34Å; A579-F582 PolarHBondContact O-N 2.97Å
580V60.1Low76.2Confident138 Ų138101.5 Ų101.584%0.83650%0.502SS*.G310 helixtrans-61.3-12.1178.2-149.30000112.7Q578Q578-V580 PolarHBondContact O-N 3.49Å
581N69.2Low76.4Confident146 Ų14693.7 Ų93.778%0.78147%0.474SS*.G310 helixtrans-126.123.3-173.9-158.322.2000114.1Q578 A579Q578-N581 PolarHBondContact O-N 3.05Å; A579-N581 PolarHBondContact O-N 2.95Å
582F68.2Low76.6Confident68 Ų6894.9 Ų94.930%0.29848%0.479SS..  trans-71.5129.2173.6-78.7-53.8000111.8I572 A579 E586 M587I572-F582 HydrophobicContact CG2-CE2 4.26Å; A579-F582 HydrophobicContact CB-CD2 3.77Å; A579-F582 HydrophobicContact CB-CE2 3.57Å; A579-F582 WeakPolarHBondContact O-CD2 3.34Å; A579-F582 PolarHBondContact O-N 2.97Å; F582-E586 HydrophobicContact CB-CB 4.34Å; F582-E586 HydrophobicContact CD1-CB 3.67Å; F582-E586 HydrophobicContact CE1-CB 4.4Å; F582-E586 HydrophobicContact CG-CB 4.38Å; F582-M587 HydrophobicContact CB-CG 3.58Å; F582-M587 HydrophobicContact CD2-CG 4.33Å; F582-M587 HydrophobicContact CG-CG 4.24Å
583D78.3Confident77Confident97 Ų9799.3 Ų99.352%0.51950%0.499SS..  trans-64.2154.1162.2177.134.7000110.3R585 E586 M587D583-R585 PolarHBondContact O-N 3.27Å; D583-R585 VanDerWaalsContact O-N 3.13Å; D583-R585 VanDerWaalsContact OD2-CB 3.22Å; D583-R585 WeakPolarHBondContact OD2-CB 3.31Å; D583-E586 HydrophobicContact CB-CG 4.38Å; D583-E586 PolarHBondContact N-OE2 3.37Å; D583-E586 WeakPolarHBondContact O-CA 3.46Å; D583-E586 WeakPolarHBondContact O-CB 3.47Å; D583-E586 PolarHBondContact O-N 2.91Å; D583-M587 PolarHBondContact O-N 3.05Å
584S81.5Confident77.3Confident87 Ų8796.2 Ų96.261%0.60848%0.484SS*.Hα-helixtrans-55.3-32.6177.6-169.20000112.2H588S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3Å; S584-H588 VanDerWaalsContact O-N 3.11Å
585R84.1Confident77.5Confident183 Ų18391 Ų9169%0.69146%0.461SS*.Hα-helixtrans-61.9-42.2170.2174.3177.8-76.5-95.9-2.4113D583 M589D583-R585 PolarHBondContact O-N 3.27Å; D583-R585 VanDerWaalsContact O-N 3.13Å; D583-R585 VanDerWaalsContact OD2-CB 3.22Å; D583-R585 WeakPolarHBondContact OD2-CB 3.31Å; R585-M589 HydrophobicContact CG-SD 4.42Å; R585-M589 WeakPolarHBondContact O-CG 3.14Å; R585-M589 PolarHBondContact O-N 3.36Å
586E85.2Confident78Confident97 Ų9789.8 Ų89.845%0.45346%0.456SS..Hα-helixtrans-75.4-42.3-176-63.5-172.4127.600111.2F582 D583 H588 M589 A590F582-E586 HydrophobicContact CB-CB 4.34Å; F582-E586 HydrophobicContact CD1-CB 3.67Å; F582-E586 HydrophobicContact CE1-CB 4.4Å; F582-E586 HydrophobicContact CG-CB 4.38Å; D583-E586 HydrophobicContact CB-CG 4.38Å; D583-E586 PolarHBondContact N-OE2 3.37Å; D583-E586 WeakPolarHBondContact O-CA 3.46Å; D583-E586 WeakPolarHBondContact O-CB 3.47Å; D583-E586 PolarHBondContact O-N 2.91Å; E586-H588 VanDerWaalsContact C-N 3.29Å; E586-H588 PolarHBondContact O-N 3.46Å; E586-M589 CarbonylContact O-C 3.57Å; E586-M589 WeakPolarHBondContact O-CA 3.05Å; E586-M589 WeakPolarHBondContact O-CB 3.21Å; E586-M589 PolarHBondContact O-N 2.83Å; E586-M589 VanDerWaalsContact O-N 3.07Å; E586-A590 WeakPolarHBondContact O-CB 3.35Å; E586-A590 PolarHBondContact O-N 3.5Å
587M81.5Confident78.6Confident68 Ų6890.5 Ų90.534%0.33546%0.46SS..Hα-helixtrans-54.6-46.6169.1-71.2-157.6-73.100111.2L569 F582 D583 M589 A590 V591L569-M587 HydrophobicContact CD2-SD 4.49Å; F582-M587 HydrophobicContact CB-CG 3.58Å; F582-M587 HydrophobicContact CD2-CG 4.33Å; F582-M587 HydrophobicContact CG-CG 4.24Å; D583-M587 PolarHBondContact O-N 3.05Å; M587-M589 VanDerWaalsContact C-N 3.31Å; M587-M589 PolarHBondContact O-N 2.79Å; M587-A590 PolarHBondContact O-N 3.12Å; M587-V591 WeakPolarHBondContact O-CG2 3.43Å; M587-V591 PolarHBondContact O-N 2.76Å
588H86.2Confident79.5Confident85 Ų8588.2 Ų88.239%0.39443%0.433SS..Hα-helixtrans-63.9-35177.5-167.474000112.6S584 E586 Q592S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3Å; S584-H588 VanDerWaalsContact O-N 3.11Å; E586-H588 VanDerWaalsContact C-N 3.29Å; E586-H588 PolarHBondContact O-N 3.46Å; H588-Q592 PolarHBondContact CD2-NE2 3.02Å; H588-Q592 VanDerWaalsContact CD2-NE2 3.32Å; H588-Q592 PolarHBondContact NE2-NE2 3.09Å; H588-Q592 WeakPolarHBondContact O-CB 3.26Å; H588-Q592 VanDerWaalsContact O-CG 3.29Å; H588-Q592 WeakPolarHBondContact O-CG 3.27Å; H588-Q592 PolarHBondContact O-N 3.35Å; H588-Q592 VanDerWaalsContact O-N 3.12Å
589M86.8Confident80.3Confident100 Ų10084.2 Ų84.249%0.49342%0.417SS..Hα-helixtrans-69-39.5172.7-79.8179.748.200112.9R585 E586 M587 Q593R585-M589 HydrophobicContact CG-SD 4.42Å; R585-M589 WeakPolarHBondContact O-CG 3.14Å; R585-M589 PolarHBondContact O-N 3.36Å; E586-M589 CarbonylContact O-C 3.57Å; E586-M589 WeakPolarHBondContact O-CA 3.05Å; E586-M589 WeakPolarHBondContact O-CB 3.21Å; E586-M589 PolarHBondContact O-N 2.83Å; E586-M589 VanDerWaalsContact O-N 3.07Å; M587-M589 VanDerWaalsContact C-N 3.31Å; M587-M589 PolarHBondContact O-N 2.79Å; M589-Q593 VanDerWaalsContact O-CG 3.31Å; M589-Q593 WeakPolarHBondContact O-CG 3.44Å; M589-Q593 PolarHBondContact O-N 2.96Å
590A86.5Confident81.1Confident21 Ų2192.3 Ų92.317%0.17445%0.446CS..Hα-helixtrans-66.4-49.8177.900000111.5I572 E586 M587 Q592 Q593 E594I572-A590 HydrophobicContact CD1-CB 4.44Å; I572-A590 HydrophobicContact CG2-CB 4.31Å; E586-A590 WeakPolarHBondContact O-CB 3.35Å; E586-A590 PolarHBondContact O-N 3.5Å; M587-A590 PolarHBondContact O-N 3.12Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 3.05Å; A590-Q593 WeakPolarHBondContact O-CA 3.37Å; A590-Q593 WeakPolarHBondContact O-CB 2.98Å; A590-Q593 PolarHBondContact O-N 3.23Å; A590-E594 PolarHBondContact O-N 3.33Å
591V87.1Confident81.2Confident14 Ų1490.3 Ų90.39%0.08543%0.434CS..Hα-helixtrans-58.4-41.8175.31730000111L569 I572 M587 Q593 E594 L595L569-V591 HydrophobicContact CD1-CG2 3.76Å; I572-V591 HydrophobicContact CD1-CG2 3.94Å; M587-V591 WeakPolarHBondContact O-CG2 3.43Å; M587-V591 PolarHBondContact O-N 2.76Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.29Å; V591-E594 PolarHBondContact O-N 3Å; V591-L595 HydrophobicContact CG1-CD1 3.9Å; V591-L595 HydrophobicContact CG1-CG 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.05Å; V591-L595 VanDerWaalsContact O-CG 3.3Å; V591-L595 WeakPolarHBondContact O-CG 3.19Å; V591-L595 PolarHBondContact O-N 3.26Å
592Q87.5Confident80.7Confident70 Ų7088.1 Ų88.133%0.32742%0.421SS..Hα-helixtrans-68.9-20.7173.5-77.4-165.727.400114.5H588 A590 R596H588-Q592 PolarHBondContact CD2-NE2 3.02Å; H588-Q592 VanDerWaalsContact CD2-NE2 3.32Å; H588-Q592 PolarHBondContact NE2-NE2 3.09Å; H588-Q592 WeakPolarHBondContact O-CB 3.26Å; H588-Q592 VanDerWaalsContact O-CG 3.29Å; H588-Q592 WeakPolarHBondContact O-CG 3.27Å; H588-Q592 PolarHBondContact O-N 3.35Å; H588-Q592 VanDerWaalsContact O-N 3.12Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 3.05Å; Q592-R596 WeakPolarHBondContact O-CD 3.48Å; Q592-R596 WeakPolarHBondContact O-CG 3.04Å; Q592-R596 PolarHBondContact O-NH1 3.37Å
593Q87.7Confident80Confident113 Ų11391.1 Ų91.153%0.52844%0.436SS..Hα-helixtrans-78.6-47.5172.5-76.5174.748.100110.1M589 A590 V591 L595 R596 L597M589-Q593 VanDerWaalsContact O-CG 3.31Å; M589-Q593 WeakPolarHBondContact O-CG 3.44Å; M589-Q593 PolarHBondContact O-N 2.96Å; A590-Q593 WeakPolarHBondContact O-CA 3.37Å; A590-Q593 WeakPolarHBondContact O-CB 2.98Å; A590-Q593 PolarHBondContact O-N 3.23Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.29Å; Q593-L595 PolarHBondContact O-N 3.04Å; Q593-R596 CarbonylContact O-C 3.56Å; Q593-R596 WeakPolarHBondContact O-CA 3.48Å; Q593-R596 WeakPolarHBondContact O-CB 3.45Å; Q593-R596 PolarHBondContact O-N 3.29Å; Q593-L597 PolarHBondContact O-N 3.29Å
594E85.9Confident78.8Confident37 Ų3791.4 Ų91.417%0.17344%0.441CS..Hα-helixtrans-62.5-44.2179.5-174.952.7-14800112L568 I572 A590 V591 R596 L597 R598L568-E594 HydrophobicContact CD2-CB 4.24Å; L568-E594 HydrophobicContact CD2-CG 3.34Å; I572-E594 HydrophobicContact CD1-CB 4.37Å; A590-E594 PolarHBondContact O-N 3.33Å; V591-E594 PolarHBondContact O-N 3Å; E594-R596 PolarHBondContact O-N 3.13Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 PolarHBondContact O-N 3.11Å; E594-R598 PolarHBondContact O-N 3.39Å; E594-R598 WeakPolarHBondContact OE1-CG 3.38Å; E594-R598 IonicContact OE1-CZ 3.81Å; E594-R598 IonicContact OE1-NE 3.7Å; E594-R598 PolarHBondContact OE1-NE 3.11Å; E594-R598 IonicContact OE1-NH2 2.67Å
595L84.9Confident77.2Confident55 Ų5590 Ų9029%0.28843%0.434SS..Hα-helixtrans-58.6-30.7171.9-73.3170.8000112.9L568 V591 Q593 N599L568-L595 HydrophobicContact CD1-CD2 4.14Å; V591-L595 HydrophobicContact CG1-CD1 3.9Å; V591-L595 HydrophobicContact CG1-CG 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.05Å; V591-L595 VanDerWaalsContact O-CG 3.3Å; V591-L595 WeakPolarHBondContact O-CG 3.19Å; V591-L595 PolarHBondContact O-N 3.26Å; Q593-L595 PolarHBondContact O-N 3.04Å; L595-N599 WeakPolarHBondContact O-CB 3.25Å; L595-N599 PolarHBondContact O-N 3.14Å; L595-N599 PolarHBondContact O-ND2 3.07Å
596R85.5Confident75.5Confident135 Ų13584.5 Ų84.551%0.50943%0.429SS..Hα-helixtrans-78.6-26.4174.6-72.4174-170.8114.32.8113Q592 Q593 E594 R600Q592-R596 WeakPolarHBondContact O-CD 3.48Å; Q592-R596 WeakPolarHBondContact O-CG 3.04Å; Q592-R596 PolarHBondContact O-NH1 3.37Å; Q593-R596 CarbonylContact O-C 3.56Å; Q593-R596 WeakPolarHBondContact O-CA 3.48Å; Q593-R596 WeakPolarHBondContact O-CB 3.45Å; Q593-R596 PolarHBondContact O-N 3.29Å; E594-R596 PolarHBondContact O-N 3.13Å; R596-R600 WeakPolarHBondContact O-CG 3.21Å; R596-R600 PolarHBondContact O-N 2.84Å
597L83.8Confident73.7Confident92 Ų9285 Ų8548%0.48244%0.443SS..Hα-helixtrans-72-52.8172.2-67.5172.1000109.9Q593 E594 N599 R600 T601Q593-L597 PolarHBondContact O-N 3.29Å; E594-L597 WeakPolarHBondContact O-CB 3.45Å; E594-L597 PolarHBondContact O-N 3.11Å; L597-N599 PolarHBondContact O-N 2.91Å; L597-R600 WeakPolarHBondContact O-CB 3.07Å; L597-R600 PolarHBondContact O-N 3.47Å; L597-T601 PolarHBondContact O-N 2.61Å; L597-T601 VanDerWaalsContact O-N 3.1Å; L597-T601 PolarHBondContact O-OG1 2.78Å
598R81Confident72.1Confident70 Ų7085.8 Ų85.826%0.26446%0.46SS..Hα-helixtrans-56.1-45.2178.2-66.2-176.4-180-156.3-5.2112.9E571 E594 R600 T601 I602E571-R598 IonicContact OE1-NH2 3.76Å; E571-R598 PolarHBondContact OE1-NH2 3.32Å; E571-R598 IonicContact OE2-CZ 3.91Å; E571-R598 IonicContact OE2-NH2 2.96Å; E571-R598 PolarHBondContact OE2-NH2 2.85Å; E594-R598 PolarHBondContact O-N 3.39Å; E594-R598 WeakPolarHBondContact OE1-CG 3.38Å; E594-R598 IonicContact OE1-CZ 3.81Å; E594-R598 IonicContact OE1-NE 3.7Å; E594-R598 PolarHBondContact OE1-NE 3.11Å; E594-R598 IonicContact OE1-NH2 2.67Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 2.99Å; R598-T601 WeakPolarHBondContact O-CB 3.43Å; R598-T601 PolarHBondContact O-N 3.33Å; R598-T601 VanDerWaalsContact O-N 3.15Å; R598-I602 WeakPolarHBondContact O-CG1 3.39Å; R598-I602 PolarHBondContact O-N 3.29Å
599N78.3Confident70.2Confident84 Ų8486.4 Ų86.445%0.44947%0.474SS..Hα-helixtrans-64.3-28.6176-83.7-79.8000113.9L595 L597 H603L595-N599 WeakPolarHBondContact O-CB 3.25Å; L595-N599 PolarHBondContact O-N 3.14Å; L595-N599 PolarHBondContact O-ND2 3.07Å; L597-N599 PolarHBondContact O-N 2.91Å; N599-H603 PolarHBondContact O-CD2 3.2Å; N599-H603 PolarHBondContact O-N 3.24Å
600R73.5Confident67.9Low179 Ų17985.5 Ų85.568%0.67549%0.49SS*.Hα-helixtrans-69-44.3171.1-76.5173.7177.2-174.20.7111.1R596 L597 R598 I602 H603 T604R596-R600 WeakPolarHBondContact O-CG 3.21Å; R596-R600 PolarHBondContact O-N 2.84Å; L597-R600 WeakPolarHBondContact O-CB 3.07Å; L597-R600 PolarHBondContact O-N 3.47Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 2.99Å; R600-I602 VanDerWaalsContact C-N 3.32Å; R600-I602 PolarHBondContact O-N 3.31Å; R600-H603 PolarHBondContact O-N 3.35Å; R600-T604 PolarHBondContact O-N 2.82Å; R600-T604 PolarHBondContact O-OG1 2.94Å; R600-T604 VanDerWaalsContact O-OG1 3.08Å
601T62.4Low65.5Low96 Ų9687.7 Ų87.759%0.58952%0.515SS*.Hα-helixtrans-59.4-43.7178.2-50.70000111.4L597 R598 H603 T604 A605L597-T601 PolarHBondContact O-N 2.61Å; L597-T601 VanDerWaalsContact O-N 3.1Å; L597-T601 PolarHBondContact O-OG1 2.78Å; R598-T601 WeakPolarHBondContact O-CB 3.43Å; R598-T601 PolarHBondContact O-N 3.33Å; R598-T601 VanDerWaalsContact O-N 3.15Å; T601-H603 PolarHBondContact O-N 3.46Å; T601-T604 PolarHBondContact O-N 2.86Å; T601-A605 WeakPolarHBondContact O-CB 3.32Å; T601-A605 PolarHBondContact O-N 3.21Å
602I59.8Low63.1Low100 Ų10092.4 Ų92.451%0.51355%0.548SS..Hα-helixtrans-59.7-46.8176.8-66.5166.1000111.4R598 R600 T604 A605 A606R598-I602 WeakPolarHBondContact O-CG1 3.39Å; R598-I602 PolarHBondContact O-N 3.29Å; R600-I602 VanDerWaalsContact C-N 3.32Å; R600-I602 PolarHBondContact O-N 3.31Å; I602-T604 VanDerWaalsContact C-N 3.33Å; I602-T604 PolarHBondContact O-N 2.8Å; I602-A605 PolarHBondContact O-N 3.29Å; I602-A606 VanDerWaalsContact O-CB 3.25Å; I602-A606 WeakPolarHBondContact O-CB 3.45Å; I602-A606 PolarHBondContact O-N 2.71Å
603H51.9Low60.8Low131 Ų13196.5 Ų96.561%0.60657%0.571SS**Hα-helixtrans-67.2-30.2178.4-74.7-52.2000113.8N599 R600 T601 S607N599-H603 PolarHBondContact O-CD2 3.2Å; N599-H603 PolarHBondContact O-N 3.24Å; R600-H603 PolarHBondContact O-N 3.35Å; T601-H603 PolarHBondContact O-N 3.46Å; H603-S607 WeakPolarHBondContact O-CB 3.36Å; H603-S607 PolarHBondContact O-N 3.21Å; H603-S607 PolarHBondContact O-OG 3.31Å
604T53.5Low58.4Low103 Ų10396 Ų9663%0.63258%0.58SS**Hα-helixtrans-72.6-44.2173.6-52.60000111.4R600 T601 I602 S607R600-T604 PolarHBondContact O-N 2.82Å; R600-T604 PolarHBondContact O-OG1 2.94Å; R600-T604 VanDerWaalsContact O-OG1 3.08Å; T601-T604 PolarHBondContact O-N 2.86Å; I602-T604 VanDerWaalsContact C-N 3.33Å; I602-T604 PolarHBondContact O-N 2.8Å; T604-S607 PolarHBondContact O-N 2.84Å
605A47.7Very low56.2Low56 Ų5699.1 Ų99.146%0.46361%0.606SS.*Hα-helixtrans-65.3-48.1178.700000112.1T601 I602 S607 A608 S609T601-A605 WeakPolarHBondContact O-CB 3.32Å; T601-A605 PolarHBondContact O-N 3.21Å; I602-A605 PolarHBondContact O-N 3.29Å; A605-S607 PolarHBondContact O-N 3.19Å; A605-S607 VanDerWaalsContact O-N 3.12Å; A605-A608 PolarHBondContact O-N 2.9Å; A605-S609 PolarHBondContact O-N 3.47Å; A605-S609 PolarHBondContact O-OG 3.43Å
606A48.1Very low54.1Low69 Ų69103.9 Ų103.957%0.5763%0.63SS**THydrogen-bonded Turntrans-65.8-13.517900000114I602I602-A606 VanDerWaalsContact O-CB 3.25Å; I602-A606 WeakPolarHBondContact O-CB 3.45Å; I602-A606 PolarHBondContact O-N 2.71Å
607S47.1Very low51.8Low108 Ų108101.7 Ų101.776%0.75564%0.635SS**THydrogen-bonded Turntrans-90.3-7.3172-560000113.4H603 T604 A605H603-S607 WeakPolarHBondContact O-CB 3.36Å; H603-S607 PolarHBondContact O-N 3.21Å; H603-S607 PolarHBondContact O-OG 3.31Å; T604-S607 PolarHBondContact O-N 2.84Å; A605-S607 PolarHBondContact O-N 3.19Å; A605-S607 VanDerWaalsContact O-N 3.12Å
608A49.7Very low49.7Very low84 Ų84102.9 Ų102.969%0.69465%0.652SS**THydrogen-bonded Turntrans-113.4-29.2-178.900000113A605 G610A605-A608 PolarHBondContact O-N 2.9Å; A608-G610 PolarHBondContact O-N 3.28Å
609S44.4Very low47.9Very low98 Ų98103.9 Ų103.969%0.68567%0.674SS**  trans-80.255.2179.864.60000113.2A605A605-S609 PolarHBondContact O-N 3.47Å; A605-S609 PolarHBondContact O-OG 3.43Å
610G38.7Very low46Very low80 Ų80108 Ų10883%0.82570%0.697SS**  trans-106.36.9179.400000115.1A608A608-G610 PolarHBondContact O-N 3.28Å
611G35.9Very low44.4Very low68 Ų68102.7 Ų102.770%0.70170%0.697SS**SBendtrans-126.3105.1-17100000114.2
612S37.6Very low43.4Very low112 Ų112103.5 Ų103.578%0.78371%0.707SS**  trans39.696.6140.2-58.40000121.1
613I40.2Very low42.6Very low156 Ų156106.1 Ų106.180%0.872%0.721SS**  trans53.4134.7131.254.8163.7000123.8
614S35.5Very low42Very low104 Ų104108.2 Ų108.273%0.72773%0.731SS**  trans84.9143.8138.963.90000121.8
615S40.9Very low41.3Very low102 Ų102107.7 Ų107.771%0.71374%0.737SS**  trans73.7118.8176.6-52.80000115.5
616I40.3Very low40.9Very low155 Ų155111.2 Ų111.280%0.79575%0.752SS**  cis62.6129.644100.9176.5000112.2
617S37.1Very low40.5Very low89 Ų89114.7 Ų114.762%0.62277%0.767SS**  cis-150.9174.811.1-56.80000112.1
618S40.2Very low40.1Very low117 Ų117112.8 Ų112.882%0.81876%0.764SS**  trans72.2154.1146.1-610000119.3
619A43.4Very low39.5Very low90 Ų90114.2 Ų114.274%0.74477%0.769SS**  cis-167.6165-22.200000108.4
620D37.5Very low39.3Very low171 Ų171114.9 Ų114.991%0.91477%0.773SS**  trans-153.3153.5153.3-143.7-24.6000110.9
621G41.6Very low39.3Very low67 Ų67115.8 Ų115.869%0.69177%0.767SS**  trans90.199.9-17100000113
622S39.6Very low39.5Very low114 Ų114120.7 Ų120.780%0.79777%0.772SS**  cis92.887.642.3-177.20000114.3
623I43.1Very low39.4Very low155 Ų155121.3 Ų121.380%0.79577%0.771SS**  trans-156.2141.9142.925174.5000112.7
624E39.4Very low39.2Very low175 Ų175118.6 Ų118.682%0.81877%0.766SS**  trans54.5105.7149.7-59-170.9128.400123.3
625A40.2Very low39.5Very low92 Ų92118.9 Ų118.976%0.7676%0.763SS**  35.5126.3126.100000122.4
626T38Very low39.4Very low129 Ų129120.6 Ų120.679%0.79177%0.765SS**  -179.6127103.3-74.80000113.2
627V41Very low39.2Very low143 Ų143124.5 Ų124.587%0.86777%0.769SS**  trans17.7129153.4-174.40000121
628G37.3Very low39.3Very low68 Ų68124.7 Ų124.770%0.70178%0.776SS**  trans159.5102.9149.900000118.5
629S38.6Very low39.1Very low113 Ų113127.1 Ų127.179%0.7977%0.772SS**  trans16.9124.3150.1-59.60000121
630S38.8Very low38.7Very low112 Ų112129 Ų12978%0.78378%0.778SS**  64.512983.3-55.40000113.9
631S39.5Very low38.6Very low99 Ų99125.8 Ų125.869%0.69277%0.769SS**  cis-158.5166.624.3-84.60000113.9
632Q39Very low38.5Very low172 Ų172131.6 Ų131.680%0.80478%0.778SS**  trans22.8149.8138.2-46.8178.626.400120.5
633T35.9Very low38.4Very low124 Ų124134.4 Ų134.476%0.76178%0.778SS**  cis-162.4-179.535.7-29.10000112.8
634S37Very low38.2Very low99 Ų99135.7 Ų135.769%0.69278%0.78SS**  trans-81.5178.617850.10000113.9
635T41Very low38.2Very low111 Ų111132.6 Ų132.668%0.68178%0.778SS**  cis-164.7160.541.156.50000116.5
636N38.5Very low37.9Very low138 Ų138133.5 Ų133.574%0.73878%0.778SS**  trans64.6108.4137-74.7-34000126.5
637R35.7Very low38.4Very low236 Ų236133.2 Ų133.289%0.89178%0.779SS**  65.3107.5105.7-165.4-167-160-154.58.6122
638A39.6Very low38.1Very low93 Ų93133.9 Ų133.977%0.76978%0.778SS**  trans-156.3167.9141.800000112.4
639K37.3Very low38.4Very low169 Ų169140 Ų14074%0.73579%0.787SS**  trans-159.7126.7-172.8176.1-168.7175.8-170.40112.1
640C34.2Very low38.4Very low130 Ų130141.9 Ų141.988%0.87878%0.784SS**  trans-132.8159.7164.9-75.20000111.3
641S35.8Very low38.4Very low102 Ų102143.4 Ų143.471%0.71378%0.778SS**  trans-137.7150173-62.30000108.8
642H39.4Very low38.4Very low189 Ų189147 Ų14788%0.87579%0.789SS**  trans-128.1138.6164.8-104.1-82.6000110.6
643H36Very low38.5Very low173 Ų173142.2 Ų142.280%0.80178%0.779SS**  trans-85.1153.9163.1-88-102.1000109.8
644H40.3Very low38.8Very low183 Ų183145.3 Ų145.385%0.84778%0.782SS**  trans-141.4164.9142.2-112.1-83.7000110.1
645S38.2Very low39Very low109 Ų109151.4 Ų151.476%0.76279%0.789SS**PPolyproline II helixtrans-95.4155.9-149.2-480000116.2
646S35.7Very low39Very low111 Ų111155.1 Ų155.178%0.77680%0.799SS**PPolyproline II helixtrans-72.2158.7164-42.10000112.6
647P46.6Very low39.2Very low123 Ų123154.3 Ų154.380%0.79980%0.802SS**PPolyproline II helixtrans-100.3148.2143.834.7-28.2000111.1
648N35.7Very low39.3Very low157 Ų157147.9 Ų147.984%0.8479%0.794SS**PPolyproline II helixtrans-89.4153.4168.9-70.9-51000110.6
649H42.7Very low39.5Very low196 Ų196151.3 Ų151.391%0.90779%0.793SS**  trans-149.2161.8144.7-138.2-87.9000112.2
650E39.5Very low39.7Very low153 Ų153150.4 Ų150.472%0.71579%0.792SS**  trans-116.5159.6-148.2-139-167.4112.900115.8
651H39Very low40.3Very low145 Ų145149.5 Ų149.567%0.67179%0.786SS**  trans47.9112145-115.9-92.3000121
652L40Very low40.5Very low175 Ų175153.5 Ų153.592%0.91679%0.786SS**  -155.9142.4116.1-14070.8000112.3
653A40.2Very low40.7Very low71 Ų71154.5 Ų154.559%0.58779%0.789SS**  trans-124.8154.6-17600000112.1
654K42.8Very low41.3Very low189 Ų189150.7 Ų150.782%0.82278%0.781SS**  trans-172.3145136.3-105145.1-167.6166.10115.9
655R41.4Very low41.3Very low226 Ų226147.6 Ų147.685%0.85378%0.779SS**  trans72.580151.7-65.1169.6-172.2-157.80.3118.4
656H39.3Very low41.5Very low189 Ų189153.7 Ų153.788%0.87580%0.803SS**  trans-54.2151.1133.4-86.3-122.9000110.5
657C42.7Very low41.7Very low121 Ų121155.9 Ų155.982%0.81880%0.804SS**  trans-132.3102.9160.4-170.90000108.2
658S38.5Very low41.5Very low102 Ų102157.6 Ų157.671%0.71381%0.805SS**  trans-117.7107.2175.9-171.50000108.1
659H44.2Very low41.8Very low164 Ų164157.6 Ų157.676%0.75980%0.803SS**  trans-94.898.8175.2-114.1-86000109.5
660H41.6Very low41.8Very low151 Ų151155.4 Ų155.470%0.69980%0.797SS**  trans-65.5133.5157-109.5-112.8000108.5Y662H660-Y662 AromaticContact ND1-CD2 3.93Å
661C47.2Very low41.9Very low111 Ų111155.5 Ų155.575%0.7580%0.802SS**  trans-12795.9160.4-69.30000107.1
662Y40.1Very low42.1Very low186 Ų186156.2 Ų156.273%0.72981%0.81SS**  trans-65.3142.6158.9-106-102.5000108.5H660H660-Y662 AromaticContact ND1-CD2 3.93Å
663F42.9Very low42.2Very low210 Ų210154.9 Ų154.992%0.92180%0.803SS**  trans-150.9107.8150-118-80.2000106.6
664S49.5Very low42.4Very low92 Ų92161.3 Ų161.364%0.64382%0.82SS**  trans-88.2168.1165.7-63.80000109.1
665C39.8Very low42.4Very low119 Ų119159 Ų15980%0.80482%0.819SS**  trans-72.3149.6-177.4-42.30000112.6
666D41.2Very low42.5Very low237 Ų237152.9 Ų152.9100%1.26782%0.816SS**  -93.40103.7-90.5-67000107

Retrieved 666 of 666 residues in 562 ms (Link to these results)