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Cytoplasmic 60S subunit biogenesis factor ZNF622

Pre-60S-associated cytoplasmic factor involved in the cytoplasmic maturation of the 60S subunit.

AlphaFold DB , UniProt , Accession A0A060WFW9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene znf622, Length 489 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
1M38.8Very low39.7Very low243 Ų243155.1 Ų155.1100%1.19780%0.804SS**  082.70-63.3176.6178.800105.9
2N34.6Very low39.9Very low153 Ų153148.7 Ų148.782%0.81879%0.79SS**  48.790.590.5-89.321.3000115.7
3I39.5Very low40Very low142 Ų142147 Ų14773%0.72879%0.793SS**  40.7130.4124-56173.5000116.6I5I3-I5 HydrophobicContact CG2-CG1 3.99Å
4P45.6Very low40Very low111 Ų111145.9 Ų145.972%0.72179%0.794SS**  -150.9143.86829.1-3.3000120.6
5I40.7Very low40.2Very low133 Ų133148.5 Ų148.568%0.68280%0.795SS**  81129.993.5-38155.9000116.3I3I3-I5 HydrophobicContact CG2-CG1 3.99Å
6N35.7Very low40.4Very low131 Ų131147.8 Ų147.870%0.70180%0.797SS**  trans114.8143.1145-65.2-38.3000116
7Y36.4Very low40.4Very low187 Ų187149 Ų14973%0.73380%0.796SS**  cis-166152.3-9.8-126.4-124.1000105.6
8D44.1Very low40.7Very low130 Ų130145.8 Ų145.870%0.69579%0.794SS**  trans40117.7153.9-56.3-20.7000122.7
9D35.9Very low41.1Very low163 Ų163144.5 Ų144.587%0.87279%0.791SS**  -175119.1117.5-107.1-33.1000111.3
10E43.6Very low41.8Very low187 Ų187143.7 Ų143.787%0.87479%0.791SS**PPolyproline II helixtrans-75136.6164.9-81.7-168.8141.500110.3
11P42.3Very low42.4Very low126 Ų126144.9 Ų144.982%0.81879%0.793SS**PPolyproline II helixtrans-96.4123.3152.131.2-27000110.8
12A41.9Very low43.4Very low78 Ų78136.7 Ų136.765%0.64576%0.76SS**PPolyproline II helixtrans-51153.6178.500000114.7T14A12-T14 PolarHBondContact O-N 3.14Å
13P40.3Very low45.1Very low127 Ų127134.1 Ų134.183%0.82575%0.754SS**  trans-69.9115.2178.228.7-33.8000111K15P13-K15 PolarHBondContact O-N 3.32Å
14T40.5Very low47.1Very low132 Ų132131.6 Ų131.681%0.8174%0.735SS**  trans-66.4112.3167.646.30000108.9A12 V16A12-T14 PolarHBondContact O-N 3.14Å; T14-V16 PolarHBondContact O-N 3.26Å
15K43Very low48.9Very low184 Ų184129.7 Ų129.780%0.872%0.722SS**  trans-63.6102.5170.8-74.3178.6178.8175.60108.5P13 H17P13-K15 PolarHBondContact O-N 3.32Å; K15-H17 PolarHBondContact O-N 2.87Å; K15-H17 VanDerWaalsContact O-N 3.11Å
16V43Very low51Low138 Ų138123.5 Ų123.584%0.83669%0.691SS**  trans-62.8107.5159.8-79.20000107.8T14 A18T14-V16 PolarHBondContact O-N 3.26Å; V16-A18 PolarHBondContact O-N 3.07Å
17H41Very low53.1Low168 Ų168123.7 Ų123.778%0.77869%0.69SS**  trans-63.9106.8168.8-78.6-87.9000107.9K15 T19K15-H17 PolarHBondContact O-N 2.87Å; K15-H17 VanDerWaalsContact O-N 3.11Å; H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 2.88Å
18A46.5Very low55Low92 Ų92115.7 Ų115.776%0.7666%0.661SS**  trans-66.698.1164.200000107.7V16 T20V16-A18 PolarHBondContact O-N 3.07Å; A18-T20 PolarHBondContact O-N 3.29Å
19T47.8Very low56.7Low121 Ų121109.9 Ų109.974%0.74263%0.631SS**  trans-58.7108.3169.8-50.30000107.9H17 M21H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 2.88Å; T19-M21 PolarHBondContact O-N 3.2Å; T19-M21 VanDerWaalsContact O-N 3.1Å
20T53.9Low58.8Low128 Ų128111.8 Ų111.879%0.78563%0.626SS**  trans-70.6103.2174.3-56.20000107.1A18 S22A18-T20 PolarHBondContact O-N 3.29Å; T20-S22 PolarHBondContact O-N 3.38Å; T20-S22 VanDerWaalsContact O-N 3.16Å
21M56Low60.7Low168 Ų168105.4 Ų105.483%0.82860%0.6SS**  trans-72.1106.5174.7-71.9-147.6176.100109.7T19 S23T19-M21 PolarHBondContact O-N 3.2Å; T19-M21 VanDerWaalsContact O-N 3.1Å; M21-S23 PolarHBondContact O-N 3.36Å
22S60Low62.6Low72 Ų72102.7 Ų102.750%0.50359%0.588SS.*  trans-60.2116171.6-49.10000109.7T20 Y24T20-S22 PolarHBondContact O-N 3.38Å; T20-S22 VanDerWaalsContact O-N 3.16Å; S22-Y24 VanDerWaalsContact O-CD2 3.24Å; S22-Y24 WeakPolarHBondContact O-CD2 3.46Å; S22-Y24 WeakPolarHBondContact O-CE2 3.5Å; S22-Y24 PolarHBondContact O-N 3.42Å
23S70.4Confident64.6Low99 Ų99100.5 Ų100.569%0.69256%0.564SS**  trans-83.5111.8176.752.30000110.5M21M21-S23 PolarHBondContact O-N 3.36Å
24Y80.3Confident66.4Low88 Ų8898.3 Ų98.335%0.34556%0.557SS.*EExtended strand (participates in β ladder)trans-86.9116.2179.5-63.7-85.1000109.3S22 A32 F33 D35 G36S22-Y24 VanDerWaalsContact O-CD2 3.24Å; S22-Y24 WeakPolarHBondContact O-CD2 3.46Å; S22-Y24 WeakPolarHBondContact O-CE2 3.5Å; S22-Y24 PolarHBondContact O-N 3.42Å; Y24-A32 CarbonylContact O-C 3.57Å; Y24-F33 PolarHBondContact N-O 2.9Å; Y24-F33 PolarHBondContact O-N 3.09Å; Y24-D35 VanDerWaalsContact CD2-C 3.45Å; Y24-G36 VanDerWaalsContact CE2-N 3.3Å
25T84.4Confident68.4Low72 Ų7296.6 Ų96.644%0.44254%0.543SS..EExtended strand (participates in β ladder)trans-122.7147.9-175.6650000112.5V31 A32 Q39T25-V31 WeakPolarHBondContact CA-O 3.42Å; T25-A32 HydrophobicContact CG2-CB 3.84Å; T25-Q39 PolarHBondContact O-NE2 3.08Å
26C83.6Confident70.1Confident3 Ų388.5 Ų88.52%0.0251%0.512CS..EExtended strand (participates in β ladder)trans-111.1111.8173.6175.30000109.9S28 C29 R30 V31 F33 H42 H48C26-S28 VanDerWaalsContact C-N 3.32Å; C26-S28 PolarHBondContact O-N 3.06Å; C26-C29 HydrophobicContact CB-CB 4.46Å; C26-C29 PolarHBondContact O-N 3.02Å; C26-R30 VanDerWaalsContact O-CA 3.32Å; C26-R30 WeakPolarHBondContact O-CA 3.49Å; C26-R30 PolarHBondContact O-N 3.06Å; C26-V31 PolarHBondContact N-O 3.27Å; C26-V31 PolarHBondContact O-N 2.77Å; C26-F33 HydrophobicContact CB-CE2 3.96Å; C26-H42 PolarHBondContact SG-NE2 3.4Å; C26-H48 PolarHBondContact SG-CE1 2.93Å; C26-H48 PolarHBondContact SG-ND1 3.05Å
27I80.3Confident72Confident134 Ų13488.5 Ų88.569%0.68750%0.503SS*.THydrogen-bonded Turntrans-68.2-32.4-176.2-61.6166.1000111.8
28S76.8Confident74Confident19 Ų1983.9 Ų83.913%0.13349%0.486CS..THydrogen-bonded Turntrans-73.9-29.5-178.7-61.10000113C26 K55C26-S28 VanDerWaalsContact C-N 3.32Å; C26-S28 PolarHBondContact O-N 3.06Å; S28-K55 PolarHBondContact OG-NZ 3.08Å
29C78.8Confident75.6Confident9 Ų981.2 Ų81.26%0.06146%0.458CS..THydrogen-bonded Turntrans-106.6-7.7179.3-62.40000113.5C26 V31 H42 W47C26-C29 HydrophobicContact CB-CB 4.46Å; C26-C29 PolarHBondContact O-N 3.02Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 2.96Å; C29-H42 PolarHBondContact SG-CE1 2.8Å; C29-H42 PolarHBondContact SG-NE2 3.07Å; C29-W47 HydrophobicContact CB-CH2 3.58Å; C29-W47 HydrophobicContact CB-CZ2 3.92Å; C29-W47 HydrophobicContact CB-CZ3 4.09Å
30R81Confident77.4Confident202 Ų20283 Ų8376%0.76245%0.451SS*.THydrogen-bonded Turntrans53.641.1-177-58.7-178.1179167.4-1.5113.5C26C26-R30 VanDerWaalsContact O-CA 3.32Å; C26-R30 WeakPolarHBondContact O-CA 3.49Å; C26-R30 PolarHBondContact O-N 3.06Å
31V82.3Confident78.8Confident53 Ų5379.5 Ų79.532%0.32144%0.435SS..EExtended strand (participates in β ladder)trans-122.3142.2178.2172.20000110.6T25 C26 C29 F33 W47T25-V31 WeakPolarHBondContact CA-O 3.42Å; C26-V31 PolarHBondContact N-O 3.27Å; C26-V31 PolarHBondContact O-N 2.77Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 2.96Å; V31-F33 HydrophobicContact CB-CZ 4.29Å; V31-F33 HydrophobicContact CG1-CD1 4.38Å; V31-F33 HydrophobicContact CG1-CE1 3.83Å; V31-F33 HydrophobicContact CG1-CE2 4.37Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å; V31-W47 HydrophobicContact CB-CH2 4.21Å; V31-W47 HydrophobicContact CG2-CH2 3.6Å; V31-W47 HydrophobicContact CG2-CZ2 4.43Å; V31-W47 HydrophobicContact CG2-CZ3 4.47Å
32A82.5Confident80.3Confident70 Ų7072 Ų7258%0.57940%0.398SS*.EExtended strand (participates in β ladder)trans-103.8141.4174.500000109.9Y24 T25Y24-A32 CarbonylContact O-C 3.57Å; T25-A32 HydrophobicContact CG2-CB 3.84Å
33F84.1Confident81.4Confident31 Ų3173.7 Ų73.714%0.13639%0.394CS..EExtended strand (participates in β ladder)trans-119.6146.2-179.6-56-74.3000109.2Y24 C26 V31 V38 Q39 H42Y24-F33 PolarHBondContact N-O 2.9Å; Y24-F33 PolarHBondContact O-N 3.09Å; C26-F33 HydrophobicContact CB-CE2 3.96Å; V31-F33 HydrophobicContact CB-CZ 4.29Å; V31-F33 HydrophobicContact CG1-CD1 4.38Å; V31-F33 HydrophobicContact CG1-CE1 3.83Å; V31-F33 HydrophobicContact CG1-CE2 4.37Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å; F33-V38 HydrophobicContact CB-CB 4.41Å; F33-V38 HydrophobicContact CB-CG1 4.4Å; F33-V38 HydrophobicContact CD1-CB 4.4Å; F33-V38 HydrophobicContact CD1-CG1 3.57Å; F33-V38 HydrophobicContact CE1-CG1 4.2Å; F33-V38 HydrophobicContact CG-CG1 4.24Å; F33-Q39 HydrophobicContact CD2-CB 3.91Å; F33-Q39 HydrophobicContact CD2-CG 3.93Å; F33-Q39 HydrophobicContact CE2-CG 4.31Å; F33-Q39 HydrophobicContact CG-CB 4.41Å; F33-H42 HydrophobicContact CE1-CB 4.09Å; F33-H42 HydrophobicContact CE2-CB 4.02Å; F33-H42 AromaticContact CE2-CD2 3.71Å; F33-H42 AromaticContact CE2-CG 3.86Å; F33-H42 HydrophobicContact CZ-CB 3.54Å; F33-H42 AromaticContact CZ-CD2 3.6Å; F33-H42 AromaticContact CZ-CG 3.34Å; F33-H42 AromaticContact CZ-ND1 3.85Å
34A77.5Confident82.2Confident81 Ų8176.8 Ų76.867%0.66940%0.395SS*.SBendtrans-70.1-38.5175.700000111.4
35D83Confident82.4Confident96 Ų9675.2 Ų75.251%0.51340%0.395SS..SBendtrans-124.3148.4-173.6-59.7-54.9000112.8Y24 E37 V38 Q39Y24-D35 VanDerWaalsContact CD2-C 3.45Å; D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.21Å; D35-V38 HydrophobicContact CB-CG2 4.15Å; D35-V38 PolarHBondContact O-N 3.29Å; D35-Q39 PolarHBondContact O-N 2.84Å
36G79.9Confident82.2Confident15 Ų1576.8 Ų76.816%0.15540%0.401CS..Hα-helixtrans-68.4-25.2177.900000113.3Y24 Q39 R40Y24-G36 VanDerWaalsContact CE2-N 3.3Å; G36-Q39 PolarHBondContact O-N 3.08Å; G36-R40 WeakPolarHBondContact O-CG 3.32Å; G36-R40 PolarHBondContact O-N 2.97Å
37E81.6Confident82.3Confident138 Ų13878.2 Ų78.265%0.64541%0.405SS*.Hα-helixtrans-66.9-42.3172.9-74.8178-17300112.1D35 Q39 R40 A41D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.21Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.22Å; E37-R40 PolarHBondContact O-N 2.91Å; E37-A41 PolarHBondContact O-N 3.39Å
38V82.8Confident82.4Confident71 Ų7172.4 Ų72.443%0.4338%0.375SS..Hα-helixtrans-65.7-35.8176-177.20000110.6F33 D35 A41 H42F33-V38 HydrophobicContact CB-CB 4.41Å; F33-V38 HydrophobicContact CB-CG1 4.4Å; F33-V38 HydrophobicContact CD1-CB 4.4Å; F33-V38 HydrophobicContact CD1-CG1 3.57Å; F33-V38 HydrophobicContact CE1-CG1 4.2Å; F33-V38 HydrophobicContact CG-CG1 4.24Å; D35-V38 HydrophobicContact CB-CG2 4.15Å; D35-V38 PolarHBondContact O-N 3.29Å; V38-A41 PolarHBondContact O-N 2.98Å; V38-H42 WeakPolarHBondContact O-CB 3.42Å; V38-H42 PolarHBondContact O-N 3.02Å
39Q81.6Confident82.8Confident35 Ų3578.1 Ų78.116%0.16439%0.394CS..Hα-helixtrans-64.9-42.8173.5-167-165.537.800112.1T25 F33 D35 G36 E37 H42 Y43T25-Q39 PolarHBondContact O-NE2 3.08Å; F33-Q39 HydrophobicContact CD2-CB 3.91Å; F33-Q39 HydrophobicContact CD2-CG 3.93Å; F33-Q39 HydrophobicContact CE2-CG 4.31Å; F33-Q39 HydrophobicContact CG-CB 4.41Å; D35-Q39 PolarHBondContact O-N 2.84Å; G36-Q39 PolarHBondContact O-N 3.08Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.22Å; Q39-H42 WeakPolarHBondContact O-CB 3.19Å; Q39-H42 PolarHBondContact O-N 3Å; Q39-Y43 HydrophobicContact CG-CD2 4.37Å; Q39-Y43 HydrophobicContact CG-CE2 3.77Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.37Å; Q39-Y43 PolarHBondContact O-N 3.43Å; Q39-Y43 VanDerWaalsContact O-N 3.16Å
40R84.3Confident82.9Confident159 Ų15981.2 Ų81.260%0.641%0.405SS*.Hα-helixtrans-64.5-42175.7-74.4-174-71.8174.8-0.9112G36 E37 H42 Y43G36-R40 WeakPolarHBondContact O-CG 3.32Å; G36-R40 PolarHBondContact O-N 2.97Å; E37-R40 PolarHBondContact O-N 2.91Å; R40-H42 VanDerWaalsContact C-N 3.33Å; R40-Y43 PolarHBondContact O-N 3.17Å
41A84.1Confident82.9Confident55 Ų5571.7 Ų71.746%0.45537%0.369SS..Hα-helixtrans-61.7-42.3173.300000111.3E37 V38 Y43 K44 T45E37-A41 PolarHBondContact O-N 3.39Å; V38-A41 PolarHBondContact O-N 2.98Å; A41-Y43 PolarHBondContact O-N 2.95Å; A41-K44 PolarHBondContact O-N 3.21Å; A41-K44 VanDerWaalsContact O-N 3.07Å; A41-T45 WeakPolarHBondContact O-CG2 3.39Å; A41-T45 PolarHBondContact O-N 3.43Å
42H86.8Confident83Confident10 Ų1072.7 Ų72.75%0.04637%0.373CS..Hα-helixtrans-57.4-42.9176.7169.764.2000112.9C26 C29 F33 V38 Q39 R40 K44 T45 W47 H48C26-H42 PolarHBondContact SG-NE2 3.4Å; C29-H42 PolarHBondContact SG-CE1 2.8Å; C29-H42 PolarHBondContact SG-NE2 3.07Å; F33-H42 HydrophobicContact CE1-CB 4.09Å; F33-H42 HydrophobicContact CE2-CB 4.02Å; F33-H42 AromaticContact CE2-CD2 3.71Å; F33-H42 AromaticContact CE2-CG 3.86Å; F33-H42 HydrophobicContact CZ-CB 3.54Å; F33-H42 AromaticContact CZ-CD2 3.6Å; F33-H42 AromaticContact CZ-CG 3.34Å; F33-H42 AromaticContact CZ-ND1 3.85Å; V38-H42 WeakPolarHBondContact O-CB 3.42Å; V38-H42 PolarHBondContact O-N 3.02Å; Q39-H42 WeakPolarHBondContact O-CB 3.19Å; Q39-H42 PolarHBondContact O-N 3Å; R40-H42 VanDerWaalsContact C-N 3.33Å; H42-K44 PolarHBondContact O-N 2.92Å; H42-K44 VanDerWaalsContact O-N 3.16Å; H42-T45 WeakPolarHBondContact O-CB 3.3Å; H42-T45 PolarHBondContact O-N 3.44Å; H42-T45 PolarHBondContact O-OG1 2.87Å; H42-W47 AromaticContact CE1-CE3 3.23Å; H42-W47 AromaticContact CE1-CZ3 3.11Å; H42-W47 WeakPolarHBondContact CE1-CZ3 3.38Å; H42-W47 AromaticContact ND1-CE3 3.48Å; H42-W47 AromaticContact ND1-CZ3 3.46Å; H42-W47 WeakPolarHBondContact ND1-CZ3 3.45Å; H42-H48 AromaticContact CD2-ND1 3.63Å; H42-H48 AromaticContact CE1-ND1 3.81Å; H42-H48 AromaticContact NE2-CG 3.75Å; H42-H48 AromaticContact NE2-ND1 3.04Å; H42-H48 PolarHBondContact NE2-ND1 2.96Å; H42-H48 WeakPolarHBondContact O-CB 3.37Å
43Y83.9Confident82.8Confident107 Ų10777 Ų7742%0.4238%0.378SS..Hα-helixtrans-59.9-25.7177.8-75.7-62.6000113.7Q39 R40 A41 H48Q39-Y43 HydrophobicContact CG-CD2 4.37Å; Q39-Y43 HydrophobicContact CG-CE2 3.77Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.37Å; Q39-Y43 PolarHBondContact O-N 3.43Å; Q39-Y43 VanDerWaalsContact O-N 3.16Å; R40-Y43 PolarHBondContact O-N 3.17Å; A41-Y43 PolarHBondContact O-N 2.95Å; Y43-H48 AromaticContact CD1-CD2 3.78Å; Y43-H48 AromaticContact CD1-CE1 3.32Å; Y43-H48 WeakPolarHBondContact CD1-CE1 3.37Å; Y43-H48 AromaticContact CD1-ND1 3.79Å; Y43-H48 AromaticContact CD1-NE2 3.32Å; Y43-H48 VanDerWaalsContact CD1-NE2 3.32Å; Y43-H48 WeakPolarHBondContact CD1-NE2 3.4Å; Y43-H48 AromaticContact CE1-CE1 3.34Å; Y43-H48 WeakPolarHBondContact CE1-CE1 3.49Å; Y43-H48 AromaticContact CE1-NE2 3.68Å
44K86Confident82.8Confident164 Ų16477.8 Ų77.871%0.71338%0.38SS*.Hα-helixtrans-84.1-15.9176.6-62.1-179.3-179-177.70113.3A41 H42A41-K44 PolarHBondContact O-N 3.21Å; A41-K44 VanDerWaalsContact O-N 3.07Å; H42-K44 PolarHBondContact O-N 2.92Å; H42-K44 VanDerWaalsContact O-N 3.16Å
45T85.6Confident82.9Confident56 Ų5678.9 Ų78.934%0.34437%0.37SS..SBendtrans-72.4147.5-17865.50000113.1A41 H42 W47 H48 R49A41-T45 WeakPolarHBondContact O-CG2 3.39Å; A41-T45 PolarHBondContact O-N 3.43Å; H42-T45 WeakPolarHBondContact O-CB 3.3Å; H42-T45 PolarHBondContact O-N 3.44Å; H42-T45 PolarHBondContact O-OG1 2.87Å; T45-W47 PolarHBondContact O-N 3.44Å; T45-H48 PolarHBondContact O-N 3.08Å; T45-H48 VanDerWaalsContact O-N 3.13Å; T45-H48 PolarHBondContact OG1-N 3.47Å; T45-R49 PolarHBondContact O-N 3.48Å
46D80.4Confident82.9Confident105 Ų10580 Ų8056%0.56138%0.38SS*.Hα-helixtrans-63.6-26.4176.6-67.7-34.3000112.9R49 Y50 F67D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-NH1 2.84Å; D46-Y50 WeakPolarHBondContact O-CB 3.27Å; D46-Y50 PolarHBondContact O-N 2.98Å; D46-F67 HydrophobicContact CB-CE1 4.49Å; D46-F67 HydrophobicContact CB-CZ 4.04Å
47W84.6Confident82.9Confident32 Ų3282 Ų8212%0.12140%0.395CS..Hα-helixtrans-63.4-43.1173.5178.255.2000112.1C29 V31 H42 T45 Y50 N51 V62 A64 F67C29-W47 HydrophobicContact CB-CH2 3.58Å; C29-W47 HydrophobicContact CB-CZ2 3.92Å; C29-W47 HydrophobicContact CB-CZ3 4.09Å; V31-W47 HydrophobicContact CB-CH2 4.21Å; V31-W47 HydrophobicContact CG2-CH2 3.6Å; V31-W47 HydrophobicContact CG2-CZ2 4.43Å; V31-W47 HydrophobicContact CG2-CZ3 4.47Å; H42-W47 AromaticContact CE1-CE3 3.23Å; H42-W47 AromaticContact CE1-CZ3 3.11Å; H42-W47 WeakPolarHBondContact CE1-CZ3 3.38Å; H42-W47 AromaticContact ND1-CE3 3.48Å; H42-W47 AromaticContact ND1-CZ3 3.46Å; H42-W47 WeakPolarHBondContact ND1-CZ3 3.45Å; T45-W47 PolarHBondContact O-N 3.44Å; W47-Y50 PolarHBondContact O-N 3.36Å; W47-N51 PolarHBondContact NE1-ND2 3.19Å; W47-N51 VanDerWaalsContact NE1-ND2 3.15Å; W47-N51 PolarHBondContact O-N 3.4Å; W47-V62 PolarHBondContact NE1-O 3.37Å; W47-A64 HydrophobicContact CD2-CB 4.37Å; W47-A64 HydrophobicContact CZ2-CB 4.16Å; W47-F67 HydrophobicContact CB-CD1 3.72Å; W47-F67 HydrophobicContact CB-CE1 3.79Å; W47-F67 HydrophobicContact CB-CG 4.29Å; W47-F67 HydrophobicContact CB-CZ 4.41Å; W47-F67 AromaticContact CD1-CD1 3.82Å; W47-F67 AromaticContact CD1-CG 3.58Å; W47-F67 HydrophobicContact CG-CB 4.5Å; W47-F67 HydrophobicContact CG-CD1 4.08Å; W47-F67 HydrophobicContact CG-CG 4.29Å
48H83.1Confident82.6Confident12 Ų1282.9 Ų82.96%0.05640%0.404CS..Hα-helixtrans-63.7-47.6175.1-17781000111.6C26 H42 Y43 T45 Y50 N51 L52C26-H48 PolarHBondContact SG-CE1 2.93Å; C26-H48 PolarHBondContact SG-ND1 3.05Å; H42-H48 AromaticContact CD2-ND1 3.63Å; H42-H48 AromaticContact CE1-ND1 3.81Å; H42-H48 AromaticContact NE2-CG 3.75Å; H42-H48 AromaticContact NE2-ND1 3.04Å; H42-H48 PolarHBondContact NE2-ND1 2.96Å; H42-H48 WeakPolarHBondContact O-CB 3.37Å; Y43-H48 AromaticContact CD1-CD2 3.78Å; Y43-H48 AromaticContact CD1-CE1 3.32Å; Y43-H48 WeakPolarHBondContact CD1-CE1 3.37Å; Y43-H48 AromaticContact CD1-ND1 3.79Å; Y43-H48 AromaticContact CD1-NE2 3.32Å; Y43-H48 VanDerWaalsContact CD1-NE2 3.32Å; Y43-H48 WeakPolarHBondContact CD1-NE2 3.4Å; Y43-H48 AromaticContact CE1-CE1 3.34Å; Y43-H48 WeakPolarHBondContact CE1-CE1 3.49Å; Y43-H48 AromaticContact CE1-NE2 3.68Å; T45-H48 PolarHBondContact O-N 3.08Å; T45-H48 VanDerWaalsContact O-N 3.13Å; T45-H48 PolarHBondContact OG1-N 3.47Å; H48-Y50 VanDerWaalsContact C-N 3.29Å; H48-Y50 PolarHBondContact O-N 3.43Å; H48-N51 PolarHBondContact O-N 2.94Å; H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.31Å; H48-L52 PolarHBondContact O-N 3.26Å
49R85.3Confident82.1Confident139 Ų13984 Ų8453%0.52541%0.405SS..Hα-helixtrans-60.6-39.2178.6-67.2172.8171.2-178.9-4.9111.9T45 D46 K53T45-R49 PolarHBondContact O-N 3.48Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-NH1 2.84Å; R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å
50Y80.6Confident81.9Confident75 Ų7586.8 Ų86.829%0.29443%0.427SS..Hα-helixtrans-66.1-47.4177.2-177-103.3000112.2D46 W47 H48 L52 K53 R54 V62 F67D46-Y50 WeakPolarHBondContact O-CB 3.27Å; D46-Y50 PolarHBondContact O-N 2.98Å; W47-Y50 PolarHBondContact O-N 3.36Å; H48-Y50 VanDerWaalsContact C-N 3.29Å; H48-Y50 PolarHBondContact O-N 3.43Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 2.89Å; Y50-K53 PolarHBondContact O-N 3.44Å; Y50-R54 VanDerWaalsContact CE1-CD 3.46Å; Y50-R54 HydrophobicContact CE1-CG 4.4Å; Y50-R54 WeakPolarHBondContact O-CG 3.5Å; Y50-R54 PolarHBondContact O-N 2.95Å; Y50-R54 VanDerWaalsContact O-N 3.1Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; Y50-V62 HydrophobicContact CE1-CB 4.29Å; Y50-V62 HydrophobicContact CE1-CG2 4.06Å; Y50-F67 AromaticContact CD1-CD2 3.67Å; Y50-F67 HydrophobicContact CD1-CD2 3.67Å; Y50-F67 AromaticContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD2-CE2 4.23Å; Y50-F67 HydrophobicContact CE1-CD2 4.2Å; Y50-F67 AromaticContact CG-CD2 3.94Å; Y50-F67 HydrophobicContact CG-CD2 3.94Å; Y50-F67 AromaticContact CG-CE2 3.68Å; Y50-F67 HydrophobicContact CG-CE2 3.68Å
51N82.1Confident81.6Confident1 Ų181.4 Ų81.41%0.00541%0.412CS..Hα-helixtrans-67.8-33177.1-82.4-19.9000112.9W47 H48 R54 K55 V62W47-N51 PolarHBondContact NE1-ND2 3.19Å; W47-N51 VanDerWaalsContact NE1-ND2 3.15Å; W47-N51 PolarHBondContact O-N 3.4Å; H48-N51 PolarHBondContact O-N 2.94Å; N51-R54 PolarHBondContact O-N 3.1Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.33Å; N51-V62 PolarHBondContact ND2-O 2.91Å; N51-V62 PolarHBondContact OD1-N 3.47Å; N51-V62 PolarHBondContact OD1-O 3.47Å
52L82.8Confident81.6Confident75 Ų7579.4 Ų79.439%0.39340%0.395SS..Hα-helixtrans-62.7-46.2173.1-174.365.2000111.5H48 Y50 R54 K55 V56H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.31Å; H48-L52 PolarHBondContact O-N 3.26Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 2.89Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 3.29Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 3.05Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.46Å
53K79.9Confident81.4Confident160 Ų16082.6 Ų82.670%0.69642%0.415SS*.Hα-helixtrans-60.9-37.5174.9-75.2178.5-179.1179.90112.6R49 Y50 A57R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å; Y50-K53 PolarHBondContact O-N 3.44Å; K53-A57 PolarHBondContact O-N 3.37Å
54R82.9Confident81.1Confident48 Ų4879.5 Ų79.518%0.18141%0.412CS..Hα-helixtrans-68-38.5175.1-70.8-179.366.7113.90.9112.4Y50 N51 L52 A57 D58 M59 P60Y50-R54 VanDerWaalsContact CE1-CD 3.46Å; Y50-R54 HydrophobicContact CE1-CG 4.4Å; Y50-R54 WeakPolarHBondContact O-CG 3.5Å; Y50-R54 PolarHBondContact O-N 2.95Å; Y50-R54 VanDerWaalsContact O-N 3.1Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; N51-R54 PolarHBondContact O-N 3.1Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 3.29Å; R54-A57 CarbonylContact O-C 3.42Å; R54-A57 PolarHBondContact O-N 2.95Å; R54-A57 VanDerWaalsContact O-N 3.14Å; R54-D58 PolarHBondContact O-N 3.13Å; R54-M59 HydrophobicContact CB-CB 4.19Å; R54-M59 PolarHBondContact O-N 3.06Å; R54-P60 PolarHBondContact NE-O 3.05Å; R54-P60 PolarHBondContact NH2-O 3.48Å
55K79.3Confident80.8Confident103 Ų10379 Ų7945%0.44841%0.412SS..Hα-helixtrans-64.5-40175.3-171.5-177.6-178.4-173.40112.2S28 N51 L52 A57 D58S28-K55 PolarHBondContact OG-NZ 3.08Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.33Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 3.05Å; K55-A57 PolarHBondContact O-N 2.9Å; K55-D58 PolarHBondContact O-N 3.12Å
56V82.6Confident80.5Confident120 Ų12079.9 Ų79.973%0.72741%0.414SS*.Hα-helixtrans-64.7-25.9173.81730000111.9L52L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.46Å
57A80.1Confident80.5Confident56 Ų5676.6 Ų76.646%0.46340%0.395SS..THydrogen-bonded Turntrans-97.618176.600000113.8K53 R54 K55 M59K53-A57 PolarHBondContact O-N 3.37Å; R54-A57 CarbonylContact O-C 3.42Å; R54-A57 PolarHBondContact O-N 2.95Å; R54-A57 VanDerWaalsContact O-N 3.14Å; K55-A57 PolarHBondContact O-N 2.9Å; A57-M59 HydrophobicContact CB-CE 3.6Å; A57-M59 PolarHBondContact O-N 3.28Å; A57-M59 VanDerWaalsContact O-N 3.07Å
58D75.6Confident80.3Confident158 Ų15880.9 Ų80.985%0.84542%0.417SS*.THydrogen-bonded Turntrans53.625-178.8-66.5-39.1000115.3R54 K55R54-D58 PolarHBondContact O-N 3.13Å; K55-D58 PolarHBondContact O-N 3.12Å
59M72.6Confident80.2Confident93 Ų9386.7 Ų86.746%0.45844%0.444SS..PPolyproline II helixtrans-96.4144.8178-73.9-173.6-81.500112R54 A57R54-M59 HydrophobicContact CB-CB 4.19Å; R54-M59 PolarHBondContact O-N 3.06Å; A57-M59 HydrophobicContact CB-CE 3.6Å; A57-M59 PolarHBondContact O-N 3.28Å; A57-M59 VanDerWaalsContact O-N 3.07Å
60P77.9Confident79.8Confident95 Ų9587 Ų8762%0.61745%0.445SS*.PPolyproline II helixtrans-56.4142.1176.7-25.433.5000112.8R54R54-P60 PolarHBondContact NE-O 3.05Å; R54-P60 PolarHBondContact NH2-O 3.48Å
61P78.4Confident79.9Confident45 Ų4585.1 Ų85.129%0.29244%0.441SS..PPolyproline II helixtrans-69.4147.2178.129.3-34000111.1
62V82.5Confident79.8Confident14 Ų1490.5 Ų90.59%0.08547%0.47CS..PPolyproline II helixtrans-99.3135.6-177.7179.70000109.6W47 Y50 N51 N66W47-V62 PolarHBondContact NE1-O 3.37Å; Y50-V62 HydrophobicContact CE1-CB 4.29Å; Y50-V62 HydrophobicContact CE1-CG2 4.06Å; N51-V62 PolarHBondContact ND2-O 2.91Å; N51-V62 PolarHBondContact OD1-N 3.47Å; N51-V62 PolarHBondContact OD1-O 3.47Å; V62-N66 HydrophobicContact CG1-CB 3.52Å
63T82.7Confident79.7Confident76 Ų7689.9 Ų89.947%0.46648%0.475SS..PPolyproline II helixtrans-64.1156.6176.256.40000111.4E65 N66 F67T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 PolarHBondContact O-N 3.33Å; T63-N66 PolarHBondContact O-N 3.34Å; T63-N66 WeakPolarHBondContact OG1-CB 3.33Å; T63-N66 PolarHBondContact OG1-ND2 3.33Å; T63-F67 PolarHBondContact O-N 3.46Å; T63-F67 VanDerWaalsContact O-N 3.13Å
64A78.4Confident79.5Confident43 Ų4388.8 Ų88.836%0.35547%0.472SS..Hα-helixtrans-59.7-40.5-178.200000112.4W47 F67 Q68W47-A64 HydrophobicContact CD2-CB 4.37Å; W47-A64 HydrophobicContact CZ2-CB 4.16Å; A64-F67 PolarHBondContact O-N 3.34Å; A64-Q68 WeakPolarHBondContact O-CG 3.21Å; A64-Q68 PolarHBondContact O-N 3.07Å
65E79.3Confident79.3Confident153 Ų15394 Ų9472%0.71549%0.492SS*.Hα-helixtrans-61.8-47.4179.2-63.1172.9178.600111.9T63 F67 Q68 E69T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 PolarHBondContact O-N 3.33Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 2.9Å; E65-Q68 PolarHBondContact O-N 3.13Å; E65-E69 PolarHBondContact O-N 3.22Å
66N78.4Confident79.3Confident75 Ų7591 Ų9140%0.40149%0.486SS..Hα-helixtrans-66.4-29.3178.1-75.7-25.1000112.7V62 T63 R70V62-N66 HydrophobicContact CG1-CB 3.52Å; T63-N66 PolarHBondContact O-N 3.34Å; T63-N66 WeakPolarHBondContact OG1-CB 3.33Å; T63-N66 PolarHBondContact OG1-ND2 3.33Å; N66-R70 WeakPolarHBondContact O-CD 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.28Å; N66-R70 PolarHBondContact O-N 3.01Å
67F81.4Confident78.9Confident35 Ų3587.2 Ų87.215%0.15447%0.468CS..Hα-helixtrans-71.3-44.4174.8178.7-103.4000110.9D46 W47 Y50 T63 A64 E65 R70 V71D46-F67 HydrophobicContact CB-CE1 4.49Å; D46-F67 HydrophobicContact CB-CZ 4.04Å; W47-F67 HydrophobicContact CB-CD1 3.72Å; W47-F67 HydrophobicContact CB-CE1 3.79Å; W47-F67 HydrophobicContact CB-CG 4.29Å; W47-F67 HydrophobicContact CB-CZ 4.41Å; W47-F67 AromaticContact CD1-CD1 3.82Å; W47-F67 AromaticContact CD1-CG 3.58Å; W47-F67 HydrophobicContact CG-CB 4.5Å; W47-F67 HydrophobicContact CG-CD1 4.08Å; W47-F67 HydrophobicContact CG-CG 4.29Å; Y50-F67 AromaticContact CD1-CD2 3.67Å; Y50-F67 HydrophobicContact CD1-CD2 3.67Å; Y50-F67 AromaticContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD2-CE2 4.23Å; Y50-F67 HydrophobicContact CE1-CD2 4.2Å; Y50-F67 AromaticContact CG-CD2 3.94Å; Y50-F67 HydrophobicContact CG-CD2 3.94Å; Y50-F67 AromaticContact CG-CE2 3.68Å; Y50-F67 HydrophobicContact CG-CE2 3.68Å; T63-F67 PolarHBondContact O-N 3.46Å; T63-F67 VanDerWaalsContact O-N 3.13Å; A64-F67 PolarHBondContact O-N 3.34Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 2.9Å; F67-R70 PolarHBondContact O-N 3.28Å; F67-V71 HydrophobicContact CD1-CG2 4.27Å; F67-V71 HydrophobicContact CE1-CG2 3.9Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.31Å; F67-V71 WeakPolarHBondContact O-CG2 3.25Å; F67-V71 PolarHBondContact O-N 2.82Å
68Q79.9Confident78.4Confident123 Ų12388 Ų8858%0.57547%0.467SS*.Hα-helixtrans-61.7-44.3176.5-72.8174.5-17.700111.9A64 E65 R70 V71 L72A64-Q68 WeakPolarHBondContact O-CG 3.21Å; A64-Q68 PolarHBondContact O-N 3.07Å; E65-Q68 PolarHBondContact O-N 3.13Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.27Å; Q68-V71 PolarHBondContact O-N 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.33Å
69E81.4Confident78.1Confident133 Ų13386.5 Ų86.562%0.62146%0.455SS*.Hα-helixtrans-59.5-41.4176.5-169.1-178.6-170.800111.9E65 L72 A73E65-E69 PolarHBondContact O-N 3.22Å; E69-L72 PolarHBondContact O-N 3.12Å; E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.01Å
70R76.7Confident77.7Confident145 Ų14589.1 Ų89.155%0.54747%0.466SS..Hα-helixtrans-66.9-38.9176.3-73.6170.4-176.6-102.7-3.4112.8N66 F67 Q68 A73 Q74N66-R70 WeakPolarHBondContact O-CD 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.28Å; N66-R70 PolarHBondContact O-N 3.01Å; F67-R70 PolarHBondContact O-N 3.28Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.27Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-Q74 WeakPolarHBondContact O-CB 3.44Å; R70-Q74 PolarHBondContact O-N 3.08Å
71V82.8Confident76.8Confident37 Ų3791.7 Ų91.722%0.22447%0.47CS..Hα-helixtrans-66.5-42.3176.51710000110.5F67 Q68 Q74 R75F67-V71 HydrophobicContact CD1-CG2 4.27Å; F67-V71 HydrophobicContact CE1-CG2 3.9Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.31Å; F67-V71 WeakPolarHBondContact O-CG2 3.25Å; F67-V71 PolarHBondContact O-N 2.82Å; Q68-V71 PolarHBondContact O-N 3.36Å; V71-Q74 PolarHBondContact O-N 3.36Å; V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 3.05Å
72L79.9Confident75.9Confident114 Ų11493.9 Ų93.960%0.59748%0.482SS*.Hα-helixtrans-64.3-43.5175.5-69.8173.8000111.6Q68 E69 Q74 R75 A76Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.33Å; E69-L72 PolarHBondContact O-N 3.12Å; L72-Q74 VanDerWaalsContact C-N 3.31Å; L72-Q74 PolarHBondContact O-N 2.88Å; L72-R75 PolarHBondContact O-N 3.45Å; L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.21Å
73A80.2Confident74.7Confident61 Ų6197.8 Ų97.850%0.50451%0.506SS..Hα-helixtrans-61.6-38.6174.800000112.3E69 R70 A77E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.01Å; R70-A73 PolarHBondContact O-N 3.33Å; A73-A77 WeakPolarHBondContact O-CB 3.5Å; A73-A77 PolarHBondContact O-N 3.01Å
74Q76.8Confident73.2Confident137 Ų13796.4 Ų96.464%0.6451%0.507SS*.Hα-helixtrans-69.6-39.4177-171.4172.82000112.4R70 V71 L72 A77 T78R70-Q74 WeakPolarHBondContact O-CB 3.44Å; R70-Q74 PolarHBondContact O-N 3.08Å; V71-Q74 PolarHBondContact O-N 3.36Å; L72-Q74 VanDerWaalsContact C-N 3.31Å; L72-Q74 PolarHBondContact O-N 2.88Å; Q74-A77 PolarHBondContact O-N 3.13Å; Q74-T78 WeakPolarHBondContact O-CB 3.2Å; Q74-T78 PolarHBondContact O-N 3.28Å; Q74-T78 PolarHBondContact O-OG1 2.85Å
75R78.2Confident71.9Confident157 Ų15796.5 Ų96.559%0.59251%0.508SS*.Hα-helixtrans-64.7-46.9174.1-74.4-180-177.9-178.60.2111.3V71 L72 A77 T78 E79V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 3.05Å; L72-R75 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.38Å; R75-T78 WeakPolarHBondContact O-CB 3.19Å; R75-T78 PolarHBondContact O-N 3.32Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.89Å
76A79.1Confident70.5Confident40 Ų4094.9 Ų94.933%0.33151%0.509SS..Hα-helixtrans-59.8-41.1175.700000112.4L72 T78 E79 Q80L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.21Å; A76-T78 VanDerWaalsContact C-N 3.31Å; A76-T78 PolarHBondContact O-N 3.13Å; A76-E79 PolarHBondContact O-N 3.04Å; A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.45Å; A76-Q80 PolarHBondContact O-N 3.22Å
77A74.5Confident69.3Low41 Ų4195.7 Ų95.734%0.33952%0.516SS..Hα-helixtrans-65-34.3174.700000112.6A73 Q74 R75 Q81A73-A77 WeakPolarHBondContact O-CB 3.5Å; A73-A77 PolarHBondContact O-N 3.01Å; Q74-A77 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.38Å; A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.09Å
78T69.5Low68.2Low72 Ų7298.5 Ų98.544%0.44254%0.54SS..Hα-helixtrans-74.1-41.6177.7-52.30000111.1Q74 R75 A76 Q80 Q81 V82Q74-T78 WeakPolarHBondContact O-CB 3.2Å; Q74-T78 PolarHBondContact O-N 3.28Å; Q74-T78 PolarHBondContact O-OG1 2.85Å; R75-T78 WeakPolarHBondContact O-CB 3.19Å; R75-T78 PolarHBondContact O-N 3.32Å; A76-T78 VanDerWaalsContact C-N 3.31Å; A76-T78 PolarHBondContact O-N 3.13Å; T78-Q80 VanDerWaalsContact C-N 3.33Å; T78-Q80 PolarHBondContact O-N 3.4Å; T78-Q81 WeakPolarHBondContact O-CB 3.36Å; T78-Q81 PolarHBondContact O-N 3.38Å; T78-Q81 VanDerWaalsContact O-N 3.08Å; T78-V82 WeakPolarHBondContact O-CG2 3.45Å; T78-V82 PolarHBondContact O-N 3.14Å
79E70.1Confident67.6Low128 Ų12896.4 Ų96.460%0.59853%0.53SS*.Hα-helixtrans-63.1-37.2175.5-74.7171.4-173.700112.2R75 A76 Q81 V82 T83R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.89Å; A76-E79 PolarHBondContact O-N 3.04Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.97Å; E79-V82 PolarHBondContact O-N 3.17Å; E79-T83 WeakPolarHBondContact O-CB 3.4Å; E79-T83 WeakPolarHBondContact O-CG2 3.47Å; E79-T83 PolarHBondContact O-N 3.34Å; E79-T83 PolarHBondContact O-OG1 3.4Å
80Q64Low67.3Low147 Ų14792 Ų9269%0.68752%0.52SS*.Hα-helixtrans-65.1-32.4172.1-73.6175.52.900112.7A76 T78 T83 G84A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.45Å; A76-Q80 PolarHBondContact O-N 3.22Å; T78-Q80 VanDerWaalsContact C-N 3.33Å; T78-Q80 PolarHBondContact O-N 3.4Å; Q80-T83 WeakPolarHBondContact CA-OG1 3.47Å; Q80-T83 PolarHBondContact O-OG1 3.07Å; Q80-G84 PolarHBondContact O-N 2.97Å
81Q59.3Low67.6Low149 Ų14985.2 Ų85.270%0.69650%0.495SS*.Hα-helixtrans-75.4-32.8174.4-70.8175.622.800112.6A77 T78 E79A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.09Å; T78-Q81 WeakPolarHBondContact O-CB 3.36Å; T78-Q81 PolarHBondContact O-N 3.38Å; T78-Q81 VanDerWaalsContact O-N 3.08Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.97Å
82V58.8Low67.3Low92 Ų9289.2 Ų89.256%0.55852%0.519SS*.Hα-helixtrans-75.3-37.9178.4173.80000111.6T78 E79 G84 A85T78-V82 WeakPolarHBondContact O-CG2 3.45Å; T78-V82 PolarHBondContact O-N 3.14Å; E79-V82 PolarHBondContact O-N 3.17Å; V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.47Å; V82-A85 WeakPolarHBondContact O-CB 3.48Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-A85 VanDerWaalsContact O-N 3.13Å
83T57.7Low67.1Low96 Ų9687.3 Ų87.359%0.58951%0.513SS*.Hα-helixtrans-69.9-23.5177.548.60000113.4E79 Q80 A85 T86E79-T83 WeakPolarHBondContact O-CB 3.4Å; E79-T83 WeakPolarHBondContact O-CG2 3.47Å; E79-T83 PolarHBondContact O-N 3.34Å; E79-T83 PolarHBondContact O-OG1 3.4Å; Q80-T83 WeakPolarHBondContact CA-OG1 3.47Å; Q80-T83 PolarHBondContact O-OG1 3.07Å; T83-A85 VanDerWaalsContact C-N 3.32Å; T83-T86 PolarHBondContact O-OG1 3.39Å
84G51Low67Low47 Ų4786.1 Ų86.149%0.48550%0.5SS..THydrogen-bonded Turntrans-77.5-9.3170.200000115.1Q80 V82Q80-G84 PolarHBondContact O-N 2.97Å; V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.47Å
85A49.9Very low67Low45 Ų4586.5 Ų86.537%0.37251%0.507SS..THydrogen-bonded Turntrans-92.5-7.6-176.100000114.3V82 T83V82-A85 WeakPolarHBondContact O-CB 3.48Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-A85 VanDerWaalsContact O-N 3.13Å; T83-A85 VanDerWaalsContact C-N 3.32Å
86T50Low67Low119 Ų11984.8 Ų84.873%0.7350%0.503SS*.SBendtrans-90.72.6-177.649.50000114.6T83T83-T86 PolarHBondContact O-OG1 3.39Å
87V53.9Low67Low91 Ų9191.7 Ų91.755%0.55253%0.526SS*.  trans-93.2101172.6-174.40000109.4E89V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.48Å
88S59.4Low67.4Low95 Ų9591.6 Ų91.666%0.66452%0.518SS*.  trans-73.191.1176.4630000111.5
89E66.3Low67.3Low79 Ų7993.2 Ų93.237%0.36953%0.533SS..  trans-81.5125.3175.5-65.3-178.9164.500110.5V87 F98 Y104V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.48Å; E89-F98 PolarHBondContact O-N 3.5Å; E89-Y104 HydrophobicContact CB-CD1 3.87Å; E89-Y104 HydrophobicContact CB-CE1 4.15Å; E89-Y104 HydrophobicContact CB-CG 4.14Å; E89-Y104 VanDerWaalsContact OE2-CD1 3.27Å; E89-Y104 WeakPolarHBondContact OE2-CD1 3.38Å
90G75.9Confident67.7Low39 Ų3989.3 Ų89.340%0.40252%0.519SS..BIsolated β-bridgetrans-107.9135.8-179.600000112.1K96G90-K96 WeakPolarHBondContact CA-O 3.26Å
91C82.3Confident68.5Low3 Ų384.1 Ų84.12%0.0250%0.499CS..  trans-77.9121.4175.4-174.20000111.2T93 C94 N95 K96 F98 Y104 H107 H113C91-T93 PolarHBondContact SG-OG1 3.29Å; C91-C94 HydrophobicContact CB-CB 4.24Å; C91-N95 WeakPolarHBondContact O-CA 3.48Å; C91-N95 PolarHBondContact O-N 3.46Å; C91-K96 PolarHBondContact N-O 3.06Å; C91-F98 HydrophobicContact CB-CE2 4.22Å; C91-Y104 HydrophobicContact CB-CD2 4.46Å; C91-Y104 HydrophobicContact CB-CE2 3.73Å; C91-H107 WeakPolarHBondContact CB-NE2 3.44Å; C91-H107 PolarHBondContact SG-NE2 2.94Å; C91-H113 PolarHBondContact SG-CE1 3.37Å; C91-H113 PolarHBondContact SG-ND1 3.26Å
92T76.5Confident69.4Low121 Ų12182.2 Ų82.274%0.74249%0.494SS*.THydrogen-bonded Turntrans-76-24.6-179530000114.2
93T76.1Confident70.5Confident75 Ų7579.7 Ų79.746%0.4648%0.482SS..THydrogen-bonded Turntrans-84.3-29.3178.462.20000112.4C91 H113C91-T93 PolarHBondContact SG-OG1 3.29Å; T93-H113 PolarHBondContact OG1-CE1 2.9Å; T93-H113 PolarHBondContact OG1-ND1 3.44Å
94C77.8Confident71.7Confident35 Ų3577.2 Ų77.224%0.23646%0.463CS..THydrogen-bonded Turntrans-109.6-6.3-177.8-65.40000113.7C91 K96 H107 H113C91-C94 HydrophobicContact CB-CB 4.24Å; C94-K96 HydrophobicContact CB-CG 4.34Å; C94-K96 WeakPolarHBondContact O-CG 3.4Å; C94-K96 PolarHBondContact O-N 3.44Å; C94-K96 VanDerWaalsContact O-N 3.07Å; C94-H107 WeakPolarHBondContact CB-NE2 3.27Å; C94-H107 VanDerWaalsContact SG-CE1 3.57Å; C94-H113 PolarHBondContact SG-ND1 3.25Å
95N75.8Confident73.2Confident145 Ų14579.9 Ų79.978%0.77546%0.463SS*.  trans50.326.7-175.2-74.7-31.5000114.9C91C91-N95 WeakPolarHBondContact O-CA 3.48Å; C91-N95 PolarHBondContact O-N 3.46Å
96K79.3Confident74.8Confident121 Ų12182.9 Ų82.953%0.52647%0.472SS..  trans-95.5132.3177.7-66.1-175.8-176.4-164.90110.2G90 C91 C94 F98G90-K96 WeakPolarHBondContact CA-O 3.26Å; C91-K96 PolarHBondContact N-O 3.06Å; C94-K96 HydrophobicContact CB-CG 4.34Å; C94-K96 WeakPolarHBondContact O-CG 3.4Å; C94-K96 PolarHBondContact O-N 3.44Å; C94-K96 VanDerWaalsContact O-N 3.07Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE1 4.49Å; K96-F98 HydrophobicContact CB-CE2 3.52Å; K96-F98 HydrophobicContact CB-CZ 3.52Å; K96-F98 HydrophobicContact CD-CZ 4.16Å; K96-F98 HydrophobicContact CG-CZ 4.47Å; K96-F98 WeakPolarHBondContact O-CE2 3.4Å
97K79.4Confident76.5Confident186 Ų18678.3 Ų78.381%0.80944%0.443SS*.BIsolated β-bridgetrans-95.4133.9173.5-60.2-176.6-178.7-176.60109
98F81.8Confident78Confident39 Ų3977 Ų7717%0.17143%0.432CS..  trans-116.7141.1-180-61.8-86.7000110.2E89 C91 K96 S100 A103 Y104 H107E89-F98 PolarHBondContact O-N 3.5Å; C91-F98 HydrophobicContact CB-CE2 4.22Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE1 4.49Å; K96-F98 HydrophobicContact CB-CE2 3.52Å; K96-F98 HydrophobicContact CB-CZ 3.52Å; K96-F98 HydrophobicContact CD-CZ 4.16Å; K96-F98 HydrophobicContact CG-CZ 4.47Å; K96-F98 WeakPolarHBondContact O-CE2 3.4Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-A103 HydrophobicContact CB-CB 4.43Å; F98-A103 HydrophobicContact CD1-CB 4.19Å; F98-Y104 AromaticContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CE2 4.48Å; F98-Y104 HydrophobicContact CD2-CG 4.36Å; F98-Y104 HydrophobicContact CE2-CD2 4.01Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; F98-H107 HydrophobicContact CE1-CB 3.77Å; F98-H107 HydrophobicContact CE2-CB 3.87Å; F98-H107 AromaticContact CE2-CD2 3.36Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.19Å; F98-H107 AromaticContact CE2-CG 3.55Å; F98-H107 AromaticContact CE2-NE2 3.99Å; F98-H107 HydrophobicContact CZ-CB 3.39Å; F98-H107 AromaticContact CZ-CD2 3.47Å; F98-H107 VanDerWaalsContact CZ-CD2 3.47Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H107 AromaticContact CZ-CG 3.15Å; F98-H107 AromaticContact CZ-ND1 3.59Å
99S69.2Low79.2Confident106 Ų10678.9 Ų78.974%0.74143%0.431SS*.SBendtrans-87.3-0.5-179.355.60000113.5
100S77.8Confident80.2Confident45 Ų4577.4 Ų77.432%0.31543%0.429SS..SBendtrans-148.6137.1179.2174.50000109.5F98 N102 A103 Y104F98-S100 VanDerWaalsContact C-N 3.32Å; S100-N102 PolarHBondContact O-N 3.22Å; S100-N102 PolarHBondContact OG-N 2.96Å; S100-A103 WeakPolarHBondContact O-CB 3.31Å; S100-A103 PolarHBondContact O-N 3.24Å; S100-Y104 PolarHBondContact O-N 3.35Å
101S80.4Confident80.8Confident39 Ų3981.5 Ų81.527%0.27344%0.437SS..Hα-helixtrans-57.9-36176.2-172.60000111.9A103 Y104 Q105S101-A103 PolarHBondContact O-N 3.33Å; S101-Y104 WeakPolarHBondContact O-CB 3.48Å; S101-Y104 PolarHBondContact O-N 3.43Å; S101-Q105 PolarHBondContact O-N 3.05Å
102N78.5Confident80.8Confident108 Ų10889.4 Ų89.458%0.57847%0.471SS*.Hα-helixtrans-65.7-36.8175.1-75.5-11.8000112.6S100 Y104 N106S100-N102 PolarHBondContact O-N 3.22Å; S100-N102 PolarHBondContact OG-N 2.96Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; N102-N106 WeakPolarHBondContact O-CB 3.45Å; N102-N106 VanDerWaalsContact O-CG 3.28Å; N102-N106 PolarHBondContact O-N 3.3Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 VanDerWaalsContact O-ND2 3.12Å
103A80.6Confident81.2Confident39 Ų3984.2 Ų84.232%0.32244%0.439SS..Hα-helixtrans-69.4-35.2175.600000111.6F98 S100 S101 H107F98-A103 HydrophobicContact CB-CB 4.43Å; F98-A103 HydrophobicContact CD1-CB 4.19Å; S100-A103 WeakPolarHBondContact O-CB 3.31Å; S100-A103 PolarHBondContact O-N 3.24Å; S101-A103 PolarHBondContact O-N 3.33Å; A103-H107 WeakPolarHBondContact O-CB 3.27Å; A103-H107 PolarHBondContact O-N 3.17Å
104Y83.4Confident81.8Confident45 Ų4584.3 Ų84.318%0.17643%0.434CS..Hα-helixtrans-66.5-46.6173.8-178.9-122.3000112.1E89 C91 F98 S100 S101 N102 N106 H107 L108E89-Y104 HydrophobicContact CB-CD1 3.87Å; E89-Y104 HydrophobicContact CB-CE1 4.15Å; E89-Y104 HydrophobicContact CB-CG 4.14Å; E89-Y104 VanDerWaalsContact OE2-CD1 3.27Å; E89-Y104 WeakPolarHBondContact OE2-CD1 3.38Å; C91-Y104 HydrophobicContact CB-CD2 4.46Å; C91-Y104 HydrophobicContact CB-CE2 3.73Å; F98-Y104 AromaticContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CE2 4.48Å; F98-Y104 HydrophobicContact CD2-CG 4.36Å; F98-Y104 HydrophobicContact CE2-CD2 4.01Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; S100-Y104 PolarHBondContact O-N 3.35Å; S101-Y104 WeakPolarHBondContact O-CB 3.48Å; S101-Y104 PolarHBondContact O-N 3.43Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.02Å; Y104-H107 WeakPolarHBondContact O-CA 3.14Å; Y104-H107 VanDerWaalsContact O-CB 3.31Å; Y104-H107 WeakPolarHBondContact O-CB 3.46Å; Y104-H107 PolarHBondContact O-N 2.9Å; Y104-H107 VanDerWaalsContact O-N 3.08Å; Y104-L108 HydrophobicContact CD1-CD1 4.36Å; Y104-L108 HydrophobicContact CE1-CD1 3.91Å; Y104-L108 HydrophobicContact CE2-CD2 4.15Å; Y104-L108 HydrophobicContact CE2-CG 4.34Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 3.17Å
105Q82.1Confident82.2Confident103 Ų10386.8 Ų86.848%0.48144%0.442SS..Hα-helixtrans-61.1-43.7176.3-75.1-175.6-16.600112.4S101 H107 L108 Q109S101-Q105 PolarHBondContact O-N 3.05Å; Q105-H107 VanDerWaalsContact C-N 3.25Å; Q105-H107 PolarHBondContact O-N 3.27Å; Q105-L108 PolarHBondContact O-N 3.43Å; Q105-Q109 WeakPolarHBondContact O-CG 3.17Å; Q105-Q109 PolarHBondContact O-N 3.03Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å
106N84.8Confident82.6Confident108 Ų10881.7 Ų81.758%0.57842%0.42SS*.Hα-helixtrans-63.3-32.9174.4-75-31000112.4N102 Y104 Q109 S110N102-N106 WeakPolarHBondContact O-CB 3.45Å; N102-N106 VanDerWaalsContact O-CG 3.28Å; N102-N106 PolarHBondContact O-N 3.3Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 VanDerWaalsContact O-ND2 3.12Å; Y104-N106 PolarHBondContact O-N 3.02Å; N106-Q109 PolarHBondContact O-N 3.28Å; N106-S110 PolarHBondContact O-N 3.4Å; N106-S110 VanDerWaalsContact O-N 3.12Å
107H86.1Confident83Confident23 Ų2380.2 Ų80.211%0.10642%0.415CS..Hα-helixtrans-65.6-44173.5168.864.8000112.3C91 C94 F98 A103 Y104 Q105 Q109 S110 H113C91-H107 WeakPolarHBondContact CB-NE2 3.44Å; C91-H107 PolarHBondContact SG-NE2 2.94Å; C94-H107 WeakPolarHBondContact CB-NE2 3.27Å; C94-H107 VanDerWaalsContact SG-CE1 3.57Å; F98-H107 HydrophobicContact CE1-CB 3.77Å; F98-H107 HydrophobicContact CE2-CB 3.87Å; F98-H107 AromaticContact CE2-CD2 3.36Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.19Å; F98-H107 AromaticContact CE2-CG 3.55Å; F98-H107 AromaticContact CE2-NE2 3.99Å; F98-H107 HydrophobicContact CZ-CB 3.39Å; F98-H107 AromaticContact CZ-CD2 3.47Å; F98-H107 VanDerWaalsContact CZ-CD2 3.47Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H107 AromaticContact CZ-CG 3.15Å; F98-H107 AromaticContact CZ-ND1 3.59Å; A103-H107 WeakPolarHBondContact O-CB 3.27Å; A103-H107 PolarHBondContact O-N 3.17Å; Y104-H107 WeakPolarHBondContact O-CA 3.14Å; Y104-H107 VanDerWaalsContact O-CB 3.31Å; Y104-H107 WeakPolarHBondContact O-CB 3.46Å; Y104-H107 PolarHBondContact O-N 2.9Å; Y104-H107 VanDerWaalsContact O-N 3.08Å; Q105-H107 VanDerWaalsContact C-N 3.25Å; Q105-H107 PolarHBondContact O-N 3.27Å; H107-Q109 VanDerWaalsContact C-N 3.25Å; H107-Q109 PolarHBondContact O-N 3.49Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.08Å; H107-H113 AromaticContact CD2-ND1 3.94Å; H107-H113 AromaticContact CE1-ND1 3.85Å; H107-H113 AromaticContact NE2-ND1 3.33Å; H107-H113 PolarHBondContact NE2-ND1 3.31Å; H107-H113 WeakPolarHBondContact O-CB 3.42Å
108L85.1Confident83.4Confident62 Ų6277.9 Ų77.933%0.32541%0.405SS..Hα-helixtrans-61.5-35176.8-64.3177.5000112Y104 Q105 S110 H113Y104-L108 HydrophobicContact CD1-CD1 4.36Å; Y104-L108 HydrophobicContact CE1-CD1 3.91Å; Y104-L108 HydrophobicContact CE2-CD2 4.15Å; Y104-L108 HydrophobicContact CE2-CG 4.34Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 3.17Å; Q105-L108 PolarHBondContact O-N 3.43Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-H113 VanDerWaalsContact CD2-CE1 3.45Å; L108-H113 WeakPolarHBondContact CD2-CE1 3.27Å; L108-H113 PolarHBondContact O-CD2 3.06Å
109Q83.8Confident83.6Confident136 Ų13682.3 Ų82.364%0.63643%0.426SS*.THydrogen-bonded Turntrans-81.1-8.5176.8-64.8-178.8600113.7Q105 N106 H107 H111 Q114Q105-Q109 WeakPolarHBondContact O-CG 3.17Å; Q105-Q109 PolarHBondContact O-N 3.03Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å; N106-Q109 PolarHBondContact O-N 3.28Å; H107-Q109 VanDerWaalsContact C-N 3.25Å; H107-Q109 PolarHBondContact O-N 3.49Å; Q109-H111 PolarHBondContact O-N 2.74Å; Q109-Q114 PolarHBondContact O-NE2 2.86Å
110S88.2Confident84.4Confident48 Ų4880.2 Ų80.234%0.33642%0.415SS..SBendtrans-67.1135.3179.9-172.40000110.9N106 H107 L108 K112 H113 Q114N106-S110 PolarHBondContact O-N 3.4Å; N106-S110 VanDerWaalsContact O-N 3.12Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.08Å; L108-S110 VanDerWaalsContact C-N 3.3Å; S110-K112 PolarHBondContact O-N 2.75Å; S110-H113 PolarHBondContact O-N 3.14Å; S110-Q114 PolarHBondContact O-N 3.48Å; S110-Q114 VanDerWaalsContact O-N 3.08Å
111H87.1Confident84.7Confident124 Ų12482.9 Ų82.957%0.57443%0.425SS*.Hα-helixtrans-52.4-33.4176.3-169.2-106.2000112.7Q109 Q115Q109-H111 PolarHBondContact O-N 2.74Å; H111-Q115 PolarHBondContact CE1-NE2 2.8Å; H111-Q115 VanDerWaalsContact ND1-CD 3.35Å; H111-Q115 PolarHBondContact ND1-NE2 2.85Å; H111-Q115 PolarHBondContact ND1-OE1 3.13Å; H111-Q115 VanDerWaalsContact O-CB 3.28Å; H111-Q115 WeakPolarHBondContact O-CB 3.21Å; H111-Q115 WeakPolarHBondContact O-CG 3.45Å; H111-Q115 PolarHBondContact O-N 2.69Å
112K83.4Confident85Confident170 Ų17085.6 Ų85.674%0.73944%0.436SS*.Hα-helixtrans-67-39.6177.5-67.6-175.6178.9-179.20112.7S110 A116S110-K112 PolarHBondContact O-N 2.75Å; K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.2Å; K112-A116 VanDerWaalsContact O-N 3.1Å
113H85.6Confident85.4Confident12 Ų1282.8 Ų82.86%0.05643%0.428CS..Hα-helixtrans-69.2-47.8176.6176.295.2000110.4C91 T93 C94 H107 L108 S110 Q115 A116 E117C91-H113 PolarHBondContact SG-CE1 3.37Å; C91-H113 PolarHBondContact SG-ND1 3.26Å; T93-H113 PolarHBondContact OG1-CE1 2.9Å; T93-H113 PolarHBondContact OG1-ND1 3.44Å; C94-H113 PolarHBondContact SG-ND1 3.25Å; H107-H113 AromaticContact CD2-ND1 3.94Å; H107-H113 AromaticContact CE1-ND1 3.85Å; H107-H113 AromaticContact NE2-ND1 3.33Å; H107-H113 PolarHBondContact NE2-ND1 3.31Å; H107-H113 WeakPolarHBondContact O-CB 3.42Å; L108-H113 VanDerWaalsContact CD2-CE1 3.45Å; L108-H113 WeakPolarHBondContact CD2-CE1 3.27Å; L108-H113 PolarHBondContact O-CD2 3.06Å; S110-H113 PolarHBondContact O-N 3.14Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 2.9Å; H113-A116 PolarHBondContact O-N 3.41Å; H113-A116 VanDerWaalsContact O-N 3.13Å; H113-E117 WeakPolarHBondContact O-CB 3.38Å; H113-E117 PolarHBondContact O-N 3.19Å
114Q87Confident85.5Confident77 Ų7783.3 Ų83.336%0.3643%0.432SS..Hα-helixtrans-62.1-35.4178.4-65.9177.93.800112.8Q109 S110 K118Q109-Q114 PolarHBondContact O-NE2 2.86Å; S110-Q114 PolarHBondContact O-N 3.48Å; S110-Q114 VanDerWaalsContact O-N 3.08Å; Q114-K118 WeakPolarHBondContact O-CB 3.38Å; Q114-K118 VanDerWaalsContact O-CG 3.25Å; Q114-K118 WeakPolarHBondContact O-CG 3.33Å; Q114-K118 PolarHBondContact O-N 3.24Å
115Q86.1Confident85.5Confident87 Ų8786.3 Ų86.341%0.40745%0.448SS..Hα-helixtrans-68.1-43.4173.2-79.6-177.5-31.400112.2H111 H113 E117 K118 Q119H111-Q115 PolarHBondContact CE1-NE2 2.8Å; H111-Q115 VanDerWaalsContact ND1-CD 3.35Å; H111-Q115 PolarHBondContact ND1-NE2 2.85Å; H111-Q115 PolarHBondContact ND1-OE1 3.13Å; H111-Q115 VanDerWaalsContact O-CB 3.28Å; H111-Q115 WeakPolarHBondContact O-CB 3.21Å; H111-Q115 WeakPolarHBondContact O-CG 3.45Å; H111-Q115 PolarHBondContact O-N 2.69Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 2.9Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.49Å; Q115-K118 PolarHBondContact O-N 3.4Å; Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 2.95Å
116A85.3Confident85.7Confident38 Ų3887.9 Ų87.931%0.31445%0.453SS..Hα-helixtrans-62.4-40.5176.900000111.5K112 H113 Q119 A120K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.2Å; K112-A116 VanDerWaalsContact O-N 3.1Å; H113-A116 PolarHBondContact O-N 3.41Å; H113-A116 VanDerWaalsContact O-N 3.13Å; A116-Q119 PolarHBondContact O-N 3.18Å; A116-A120 WeakPolarHBondContact O-CB 3.27Å; A116-A120 PolarHBondContact O-N 3.49Å
117E87.9Confident85.6Confident90 Ų9089.7 Ų89.742%0.42146%0.456SS..Hα-helixtrans-65.2-48.1175.8-169.5-177.1-17300111.9H113 Q115 Q119 A120 L121H113-E117 WeakPolarHBondContact O-CB 3.38Å; H113-E117 PolarHBondContact O-N 3.19Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.49Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.27Å; E117-A120 PolarHBondContact O-N 3.35Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 2.81Å
118K87.4Confident85.3Confident137 Ų13792.5 Ų92.560%0.59647%0.474SS*.Hα-helixtrans-59.1-40.8175-76.1175.9-178.3-179.80112.1Q114 Q115 L121 L122Q114-K118 WeakPolarHBondContact O-CB 3.38Å; Q114-K118 VanDerWaalsContact O-CG 3.25Å; Q114-K118 WeakPolarHBondContact O-CG 3.33Å; Q114-K118 PolarHBondContact O-N 3.24Å; Q115-K118 PolarHBondContact O-N 3.4Å; K118-L121 PolarHBondContact O-N 3.28Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.41Å; K118-L122 PolarHBondContact O-N 3.46Å
119Q86.5Confident84.9Confident132 Ų13294.9 Ų94.962%0.61748%0.484SS*.Hα-helixtrans-67.2-40.2176.8-75.4177.12.600112.1Q115 A116 E117 L121 L122 A123Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 2.95Å; A116-Q119 PolarHBondContact O-N 3.18Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.27Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L122 PolarHBondContact O-N 3.29Å; Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 3.28Å
120A84.6Confident84.5Confident62 Ų6293 Ų9351%0.51248%0.477SS..Hα-helixtrans-62.8-40.6175.300000111.8A116 E117 A123 A124A116-A120 WeakPolarHBondContact O-CB 3.27Å; A116-A120 PolarHBondContact O-N 3.49Å; E117-A120 PolarHBondContact O-N 3.35Å; A120-A123 PolarHBondContact O-N 2.81Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.95Å
121L85.6Confident83.7Confident100 Ų10096.6 Ų96.652%0.52449%0.489SS..Hα-helixtrans-64.8-45.4175.2-72.1175.1000112.3E117 K118 Q119 A123 A124 Q125E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 2.81Å; K118-L121 PolarHBondContact O-N 3.28Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.22Å; L121-A124 PolarHBondContact O-N 2.7Å; L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.68Å
122L85.8Confident82.9Confident96 Ų9694.8 Ų94.850%0.50348%0.484SS..Hα-helixtrans-63.8-37.9176.9-71.1172.3000112K118 Q119 Q125 K126K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.41Å; K118-L122 PolarHBondContact O-N 3.46Å; Q119-L122 PolarHBondContact O-N 3.29Å; L122-Q125 PolarHBondContact O-N 2.72Å; L122-K126 WeakPolarHBondContact O-CB 3.21Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.9Å
123A86.3Confident82.5Confident49 Ų4992.6 Ų92.641%0.40548%0.476SS..Hα-helixtrans-67.1-37.1175.100000112.1Q119 A120 L121 K127Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 3.28Å; A120-A123 PolarHBondContact O-N 2.81Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.22Å; A123-K127 WeakPolarHBondContact O-CG 3.37Å; A123-K127 PolarHBondContact O-N 2.91Å; A123-K127 VanDerWaalsContact O-N 3.09Å
124A83.4Confident82Confident50 Ų5098.1 Ų98.141%0.41350%0.5SS..Hα-helixtrans-66.3-44173.700000111.6A120 L121 K127 V128A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.95Å; L121-A124 PolarHBondContact O-N 2.7Å; A124-K127 PolarHBondContact O-N 3.22Å; A124-V128 WeakPolarHBondContact O-CG2 3.43Å; A124-V128 PolarHBondContact O-N 2.78Å
125Q83.8Confident80.8Confident109 Ų10998.5 Ų98.551%0.50951%0.505SS..Hα-helixtrans-59.8-48.7175.9-74.9175.2-10.100111.7L121 L122 K127 V128 E129L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.68Å; L122-Q125 PolarHBondContact O-N 2.72Å; Q125-K127 VanDerWaalsContact C-N 3.27Å; Q125-K127 PolarHBondContact O-N 3.32Å; Q125-V128 PolarHBondContact O-N 3.3Å; Q125-V128 VanDerWaalsContact O-N 3.08Å; Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 3.08Å
126K86.1Confident79.6Confident135 Ų135101.2 Ų101.259%0.58752%0.521SS*.Hα-helixtrans-60.4-34.8175.8-74.3-179.4179.4-174.20113.2L122 M130L122-K126 WeakPolarHBondContact O-CB 3.21Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.9Å; K126-M130 WeakPolarHBondContact O-CB 3.31Å; K126-M130 WeakPolarHBondContact O-CG 3.43Å; K126-M130 PolarHBondContact O-N 2.92Å
127K81.9Confident78.5Confident146 Ų146107.5 Ų107.564%0.63554%0.544SS*.Hα-helixtrans-69-38.8174.8-80.7179.9179.5179.90112.1A123 A124 Q125 M131A123-K127 WeakPolarHBondContact O-CG 3.37Å; A123-K127 PolarHBondContact O-N 2.91Å; A123-K127 VanDerWaalsContact O-N 3.09Å; A124-K127 PolarHBondContact O-N 3.22Å; Q125-K127 VanDerWaalsContact C-N 3.27Å; Q125-K127 PolarHBondContact O-N 3.32Å; K127-M131 VanDerWaalsContact O-CB 3.27Å; K127-M131 WeakPolarHBondContact O-CB 3.42Å; K127-M131 PolarHBondContact O-N 3.3Å
128V80.9Confident77.3Confident82 Ų82111.1 Ų111.150%0.49756%0.559SS.*Hα-helixtrans-67.6-41.4175.2172.50000110.5A124 Q125 M131 N132A124-V128 WeakPolarHBondContact O-CG2 3.43Å; A124-V128 PolarHBondContact O-N 2.78Å; Q125-V128 PolarHBondContact O-N 3.3Å; Q125-V128 VanDerWaalsContact O-N 3.08Å; V128-M131 CarbonylContact O-C 3.57Å; V128-M131 PolarHBondContact O-N 3.28Å; V128-N132 WeakPolarHBondContact O-CB 3.42Å; V128-N132 VanDerWaalsContact O-CG 3.27Å; V128-N132 PolarHBondContact O-N 3.3Å
129E76.3Confident75.7Confident112 Ų112107.6 Ų107.652%0.52356%0.561SS.*Hα-helixtrans-61.9-49.4174-73.6170.7177.800111.4Q125 M131 N132 E133Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 3.08Å; E129-M131 PolarHBondContact O-N 3.22Å; E129-N132 CarbonylContact O-C 3.56Å; E129-N132 PolarHBondContact O-N 3.03Å; E129-E133 WeakPolarHBondContact O-CB 3.3Å; E129-E133 WeakPolarHBondContact O-CG 3.03Å; E129-E133 PolarHBondContact O-N 3.4Å
130M76.1Confident74.1Confident98 Ų98109 Ų10948%0.48357%0.572SS.*Hα-helixtrans-61.2-32.4174.2-80.6-161.4-72.400112.9K126 K134K126-M130 WeakPolarHBondContact O-CB 3.31Å; K126-M130 WeakPolarHBondContact O-CG 3.43Å; K126-M130 PolarHBondContact O-N 2.92Å; M130-K134 VanDerWaalsContact O-CB 3.3Å; M130-K134 WeakPolarHBondContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CG 3.43Å; M130-K134 PolarHBondContact O-N 2.88Å; M130-K134 VanDerWaalsContact O-N 3.08Å
131M71.1Confident72.1Confident122 Ų122109.3 Ų109.360%0.60158%0.58SS**Hα-helixtrans-72.1-37.5174.9-168.3178.3-68.700111K127 V128 E129 N135K127-M131 VanDerWaalsContact O-CB 3.27Å; K127-M131 WeakPolarHBondContact O-CB 3.42Å; K127-M131 PolarHBondContact O-N 3.3Å; V128-M131 CarbonylContact O-C 3.57Å; V128-M131 PolarHBondContact O-N 3.28Å; E129-M131 PolarHBondContact O-N 3.22Å; M131-N135 WeakPolarHBondContact O-CB 3.33Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 2.94Å
132N70.8Confident70.3Confident87 Ų87111.3 Ų111.347%0.46559%0.592SS.*Hα-helixtrans-70.2-41.4175.8-75.5-12.1000112.2V128 E129 N135 L136V128-N132 WeakPolarHBondContact O-CB 3.42Å; V128-N132 VanDerWaalsContact O-CG 3.27Å; V128-N132 PolarHBondContact O-N 3.3Å; E129-N132 CarbonylContact O-C 3.56Å; E129-N132 PolarHBondContact O-N 3.03Å; N132-N135 WeakPolarHBondContact O-CB 3.22Å; N132-N135 PolarHBondContact O-N 3.08Å; N132-L136 PolarHBondContact O-N 3.29Å
133E74.3Confident68Low124 Ų124114.5 Ų114.558%0.57961%0.609SS**Hα-helixtrans-63.1-45.8174.2-75.2178.5162.100111.1E129 N135 L136 E137E129-E133 WeakPolarHBondContact O-CB 3.3Å; E129-E133 WeakPolarHBondContact O-CG 3.03Å; E129-E133 PolarHBondContact O-N 3.4Å; E133-N135 PolarHBondContact O-N 3.44Å; E133-L136 WeakPolarHBondContact O-CB 3.48Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-L136 VanDerWaalsContact O-N 3.07Å; E133-E137 PolarHBondContact O-N 3.28Å
134K74.1Confident66.4Low127 Ų127115.2 Ų115.255%0.55262%0.621SS**Hα-helixtrans-64-27174.2-75.3176.2-177.4-179.40113.3M130 K138M130-K134 VanDerWaalsContact O-CB 3.3Å; M130-K134 WeakPolarHBondContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CG 3.43Å; M130-K134 PolarHBondContact O-N 2.88Å; M130-K134 VanDerWaalsContact O-N 3.08Å; K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.38Å
135N62.1Low64.9Low86 Ų86122.9 Ų122.946%0.4665%0.645SS.*Hα-helixtrans-77.5-33.5173.2-72-22.3000111.6M131 N132 E133M131-N135 WeakPolarHBondContact O-CB 3.33Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 2.94Å; N132-N135 WeakPolarHBondContact O-CB 3.22Å; N132-N135 PolarHBondContact O-N 3.08Å; E133-N135 PolarHBondContact O-N 3.44Å
136L62.2Low63.3Low143 Ų143122.5 Ų122.575%0.74965%0.65SS**Hα-helixtrans-67.7-44.1172.2-107.4108.9000112.1N132 E133 K138 G139N132-L136 PolarHBondContact O-N 3.29Å; E133-L136 WeakPolarHBondContact O-CB 3.48Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-L136 VanDerWaalsContact O-N 3.07Å; L136-K138 PolarHBondContact O-N 3.05Å; L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.14Å
137E61.3Low61.9Low170 Ų170122.1 Ų122.179%0.79465%0.654SS**Hα-helixtrans-65.4-25.9178.2-75.8-175.5160.700113.1E133 G139E133-E137 PolarHBondContact O-N 3.28Å; E137-G139 PolarHBondContact O-N 2.96Å
138K62.1Low60.4Low167 Ų167122.5 Ų122.573%0.72666%0.658SS**THydrogen-bonded Turntrans-80.84.8175.5-75-179.9-179.6-176.40114.2K134 L136 L140K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.38Å; L136-K138 PolarHBondContact O-N 3.05Å; K138-L140 PolarHBondContact O-N 3.48Å
139G54.2Low59.3Low62 Ų62124.7 Ų124.764%0.63967%0.667SS**THydrogen-bonded Turntrans67.230.4166.900000115.4L136 E137 G141L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.14Å; E137-G139 PolarHBondContact O-N 2.96Å; G139-G141 PolarHBondContact O-N 3.46Å
140L53.2Low58.5Low163 Ų163122.2 Ų122.285%0.85367%0.666SS**  trans-90.568165.6-77.9159.9000108.9K138K138-L140 PolarHBondContact O-N 3.48Å
141G42Very low57.7Low67 Ų67123.7 Ų123.769%0.69167%0.67SS**  trans-85.7121.1165.800000109.8G139G139-G141 PolarHBondContact O-N 3.46Å
142D47.8Very low56.9Low143 Ų143122.3 Ų122.377%0.76566%0.664SS**  trans60.1100.5153.8-158.127.5000118.2
143D37.8Very low56.8Low163 Ų163123.8 Ų123.887%0.87267%0.669SS**  trans-151.697.9138.2-84.4-38.9000109
144G53.8Low56.2Low63 Ų63120.6 Ų120.665%0.64966%0.664SS**SBendtrans51.4106.3138.500000119.5
145K52Low55.2Low211 Ų211119.6 Ų119.692%0.91766%0.664SS**  trans65.490.9160.3-62.3179.5-180-179.40115.6
146V49.7Very low55Low102 Ų102122.4 Ų122.462%0.61867%0.674SS**  trans-122.5106.3158-149.80000107.6H148V146-H148 PolarHBondContact O-N 3.02Å
147D55.3Low54.8Low126 Ų126122.3 Ų122.367%0.67467%0.67SS**  trans-53.1112.9-175.5-82.5-47.2000111.1N149 A150D147-N149 PolarHBondContact O-N 3.45Å; D147-A150 PolarHBondContact O-N 3.23Å
148H52.3Low54.4Low154 Ų154118.2 Ų118.271%0.71367%0.665SS**Hα-helixtrans-55.7-22.7176.9-82.9-75.8000112.7V146 N152V146-H148 PolarHBondContact O-N 3.02Å; H148-N152 PolarHBondContact O-N 2.84Å; H148-N152 VanDerWaalsContact O-N 3.17Å
149N55.7Low53.8Low129 Ų129117 Ų11769%0.6967%0.666SS**Hα-helixtrans-68.5-39.5176.2-138.122.5000112.1D147 N152 E153D147-N149 PolarHBondContact O-N 3.45Å; N149-N152 PolarHBondContact O-N 3.09Å; N149-E153 WeakPolarHBondContact O-CB 3.49Å; N149-E153 PolarHBondContact O-N 2.96Å
150A61.6Low53.2Low59 Ų59122.2 Ų122.249%0.48867%0.671SS.*Hα-helixtrans-70.5-34.7179.300000112.6D147 A154D147-A150 PolarHBondContact O-N 3.23Å; A150-A154 WeakPolarHBondContact O-CB 3.33Å; A150-A154 PolarHBondContact O-N 3.46Å
151K58.2Low52.6Low130 Ų130119.6 Ų119.657%0.56566%0.663SS**Hα-helixtrans-69.8-38.8173.9-90.8179.51761720112.5L155K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 PolarHBondContact O-N 3.07Å; K151-L155 VanDerWaalsContact O-N 3.08Å
152N53.5Low52.4Low92 Ų92122.1 Ų122.149%0.49267%0.668SS.*Hα-helixtrans-71.1-35.3176.6-87.1-27.4000112.5H148 N149 L155 Q156H148-N152 PolarHBondContact O-N 2.84Å; H148-N152 VanDerWaalsContact O-N 3.17Å; N149-N152 PolarHBondContact O-N 3.09Å; N152-L155 PolarHBondContact O-N 2.85Å; N152-Q156 WeakPolarHBondContact O-CG 3.38Å; N152-Q156 PolarHBondContact O-N 3.12Å
153E70.3Confident52Low119 Ų119124.6 Ų124.656%0.55668%0.675SS**Hα-helixtrans-68.7-39174.5-167.3172.7-172.500112.1N149 Q156 Q157N149-E153 WeakPolarHBondContact O-CB 3.49Å; N149-E153 PolarHBondContact O-N 2.96Å; E153-Q156 PolarHBondContact O-N 3.14Å; E153-Q157 PolarHBondContact O-N 3.14Å
154A60.5Low51.8Low57 Ų57128 Ų12847%0.47168%0.675SS.*Hα-helixtrans-66.4-36.2174.200000113A150 Q157 A158A150-A154 WeakPolarHBondContact O-CB 3.33Å; A150-A154 PolarHBondContact O-N 3.46Å; A154-Q157 PolarHBondContact O-N 2.93Å; A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 2.83Å
155L54.1Low50.8Low106 Ų106131 Ų13156%0.55568%0.683SS**Hα-helixtrans-68.1-36.1173.2-101144.1000112.3K151 N152 A158 L159K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 PolarHBondContact O-N 3.07Å; K151-L155 VanDerWaalsContact O-N 3.08Å; N152-L155 PolarHBondContact O-N 2.85Å; L155-A158 PolarHBondContact O-N 3.04Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.33Å
156Q57.9Low50Low145 Ų145128.4 Ų128.468%0.67868%0.68SS**Hα-helixtrans-70.7-33.3173.9-73.617920.900112.7N152 E153N152-Q156 WeakPolarHBondContact O-CG 3.38Å; N152-Q156 PolarHBondContact O-N 3.12Å; E153-Q156 PolarHBondContact O-N 3.14Å
157Q58.3Low49.3Very low140 Ų140129.2 Ų129.265%0.65469%0.687SS**Hα-helixtrans-70.3-33.6172.6-79.3-178.7-0.300112.9E153 A154E153-Q157 PolarHBondContact O-N 3.14Å; A154-Q157 PolarHBondContact O-N 2.93Å
158A52.3Low48.3Very low85 Ų85132 Ų13270%0.70270%0.696SS**Hα-helixtrans-76.2-19.5178.100000114.3A154 L155A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 2.83Å; L155-A158 PolarHBondContact O-N 3.04Å
159L49.1Very low47.7Very low141 Ų141134.7 Ų134.774%0.73871%0.706SS**THydrogen-bonded Turntrans-88.3-1.8176.4-77.2165.2000113.8L155L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.33Å
160K42.1Very low46.4Very low172 Ų172133.7 Ų133.775%0.74872%0.715SS**SBendtrans-78.2120.8173-155.7174.6-173.2178.40108.8
161P40.9Very low45.1Very low107 Ų107140.2 Ų140.270%0.69574%0.736SS**PPolyproline II helixtrans-64.8143.3-175.325.3-33000110.9Q163P161-Q163 PolarHBondContact O-N 3.34Å
162P37.6Very low43.8Very low121 Ų121138.5 Ų138.579%0.78675%0.745SS**PPolyproline II helixtrans-65.6130.1177.126.1-31.2000109.8R164P162-R164 PolarHBondContact O-N 3Å
163Q38.1Very low42.7Very low194 Ų194140.2 Ų140.291%0.90776%0.764SS**PPolyproline II helixtrans-59.6125.3163.7-78.7176.8-54.500108.3P161P161-Q163 PolarHBondContact O-N 3.34Å
164R33.5Very low40.8Very low235 Ų235138 Ų13889%0.88777%0.774SS**PPolyproline II helixtrans-70.1133.4171.4-67.3-179178.3-165.7-2.1108.9P162P162-R164 PolarHBondContact O-N 3Å
165P34.3Very low39.4Very low126 Ų126142.3 Ų142.382%0.81879%0.794SS**PPolyproline II helixtrans-72.3145.8168.329.3-30.3000110.4
166N35Very low38.3Very low157 Ų157146.1 Ų146.184%0.8481%0.809SS**PPolyproline II helixtrans-65153.4179.4-134.316.4000111.5E168N166-E168 PolarHBondContact O-N 3.43Å
167P35.6Very low36.8Very low119 Ų119150.5 Ų150.577%0.77382%0.819SS**SBendtrans-89.993.8-174.234.8-27.6000110.3
168E34.4Very low35.6Very low183 Ų183150.1 Ų150.186%0.85583%0.829SS**  trans-154.3124.9161.1-115.8174.7175.800109.3N166N166-E168 PolarHBondContact O-N 3.43Å
169K39.1Very low34.5Very low212 Ų212150.2 Ų150.292%0.92283%0.829SS**  trans8192.9-177.7-61.3176.2176.1174.70117.1
170A28.8Very low33.9Very low107 Ų107148.4 Ų148.488%0.88484%0.835SS**  trans-165.478.2132.500000109.5
171Q33.3Very low33.6Very low197 Ų197147.5 Ų147.592%0.92184%0.838SS**  trans-78.7131.6151.1-77.8176.1-13.900107.4
172A31Very low33.6Very low93 Ų93152.1 Ų152.177%0.76985%0.847SS**  trans142.7123.9141.400000113
173S30.6Very low33.7Very low128 Ų128150.8 Ų150.890%0.89585%0.847SS**  trans111.9102.815673.40000114.5
174G30.1Very low33.9Very low73 Ų73148.7 Ų148.775%0.75383%0.834SS**  trans-87.9160.8-175.700000113.9
175V30.6Very low34.7Very low148 Ų148140.9 Ų140.990%0.89781%0.814SS**  trans-146.3118.5144.7177.90000106.2
176E31.3Very low35.7Very low185 Ų185144.5 Ų144.586%0.86482%0.82SS**  trans-84.7132.3-179.2-64.4179.1146.300111.9
177R27.2Very low36.9Very low237 Ų237141.8 Ų141.889%0.89480%0.801SS**  trans-147.1141.1144.5-70.5-173.171.6-161.11.6108.8
178P33.2Very low38.8Very low133 Ų133137.6 Ų137.686%0.86477%0.774SS**  trans-88.7121-156.533.5-31.7000112
179A29.1Very low40.7Very low86 Ų86129.4 Ų129.471%0.71174%0.737SS**  trans-109.8114.3157.300000106.7D181A179-D181 VanDerWaalsContact C-N 3.28Å; A179-D181 PolarHBondContact O-N 2.86Å
180A36.5Very low42.3Very low103 Ų103120.4 Ų120.485%0.85170%0.697SS**  trans-7185176.100000109.6K182A180-K182 PolarHBondContact O-N 2.74Å
181D35.9Very low44.2Very low154 Ų154119.6 Ų119.682%0.82468%0.677SS**  trans-74.6100.7164.9-92.3-35.2000108.5A179 A183A179-D181 VanDerWaalsContact C-N 3.28Å; A179-D181 PolarHBondContact O-N 2.86Å; D181-A183 PolarHBondContact O-N 2.92Å
182K40.6Very low46.2Very low203 Ų203114.3 Ų114.388%0.88365%0.653SS**  trans-65.4103.9163.1-75.6-175.5177.9-178.70107.5A180 K184A180-K182 PolarHBondContact O-N 2.74Å; K182-K184 PolarHBondContact O-N 2.84Å
183A39.6Very low48.4Very low93 Ų93110.3 Ų110.377%0.76962%0.618SS**PPolyproline II helixtrans-49.3123.417200000110D181 P185D181-A183 PolarHBondContact O-N 2.92Å; A183-P185 WeakPolarHBondContact O-CD 3.49Å
184K41.5Very low50.4Low150 Ų150107 Ų10765%0.65259%0.587SS**PPolyproline II helixtrans-65.7120.6174.9-164.5174.2-174.6-179.10107.2K182 E186K182-K184 PolarHBondContact O-N 2.84Å; K184-E186 PolarHBondContact O-N 2.97Å
185P50.8Low52.5Low71 Ų71107.5 Ų107.546%0.46157%0.57SS.*PPolyproline II helixtrans-61.3135.1-174.522.8-32.1000110.6A183 K187A183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-K187 PolarHBondContact O-N 3.35Å
186E54.9Low54.3Low203 Ų203101.7 Ų101.795%0.94954%0.54SS*.SBendtrans-60.6-29.8-174.7-69-174.4150.300112.9K184K184-E186 PolarHBondContact O-N 2.97Å
187K60.8Low56.2Low99 Ų9994.5 Ų94.543%0.4351%0.506SS..SBendtrans-97.5132.1172.2-65.4-173.6179-164.80110.7P185 Q192 E195P185-K187 PolarHBondContact O-N 3.35Å; K187-Q192 HydrophobicContact CB-CG 3.79Å; K187-Q192 HydrophobicContact CD-CG 4.5Å; K187-Q192 PolarHBondContact O-NE2 3.31Å; K187-E195 IonicContact NZ-OE1 2.58Å; K187-E195 PolarHBondContact NZ-OE1 3.49Å; K187-E195 IonicContact NZ-OE2 3.42Å; K187-E195 PolarHBondContact NZ-OE2 2.78Å
188P75Confident58Low32 Ų3285.5 Ų85.521%0.20848%0.483CS..  trans-60138.9173.925.8-33.3000110.2R190 L191 Q192 Y325P188-R190 PolarHBondContact O-N 2.94Å; P188-L191 HydrophobicContact CG-CB 4.07Å; P188-L191 HydrophobicContact CG-CD1 3.57Å; P188-L191 HydrophobicContact CG-CG 3.77Å; P188-L191 PolarHBondContact O-N 2.67Å; P188-Q192 PolarHBondContact O-N 3.05Å; P188-Y325 HydrophobicContact CB-CE1 4.24Å
189P74.5Confident59.6Low11 Ų1186.2 Ų86.27%0.07147%0.472CS..Hα-helixtrans-51.4-34.6-177.2-30.736.5000114L191 Q192 W193 K312 Y325P189-L191 PolarHBondContact O-N 3.23Å; P189-Q192 PolarHBondContact O-N 3.1Å; P189-W193 PolarHBondContact O-N 3.2Å; P189-K312 HydrophobicContact CB-CD 3.89Å; P189-K312 HydrophobicContact CG-CD 4.04Å; P189-Y325 HydrophobicContact CG-CD1 4.33Å
190R72.6Confident61.2Low22 Ų2285.4 Ų85.48%0.08345%0.453CS..Hα-helixtrans-54.2-47173.4178.4173.8-167.1165.117.1114.1P188 W193 F194 G311 V313 N318 E319 G321P188-R190 PolarHBondContact O-N 2.94Å; R190-W193 PolarHBondContact O-N 3.49Å; R190-F194 HydrophobicContact CG-CD2 3.96Å; R190-F194 HydrophobicContact CG-CE2 3.67Å; R190-F194 WeakPolarHBondContact O-CD2 3.47Å; R190-F194 PolarHBondContact O-N 3.28Å; R190-F194 VanDerWaalsContact O-N 3.11Å; R190-G311 WeakPolarHBondContact CA-O 3.42Å; R190-V313 HydrophobicContact CB-CG2 4.18Å; R190-V313 HydrophobicContact CG-CG2 3.68Å; R190-N318 PolarHBondContact NH1-O 3.26Å; R190-N318 PolarHBondContact NH2-O 2.95Å; R190-E319 VanDerWaalsContact NH2-N 3.16Å; R190-G321 PolarHBondContact NH1-O 3.19Å
191L68.3Low62.1Low90 Ų9085.7 Ų85.747%0.47144%0.438SS..Hα-helixtrans-71.9-36.1179.9-72.5177.9000110.9P188 P189 W193 F194 E195P188-L191 HydrophobicContact CG-CB 4.07Å; P188-L191 HydrophobicContact CG-CD1 3.57Å; P188-L191 HydrophobicContact CG-CG 3.77Å; P188-L191 PolarHBondContact O-N 2.67Å; P189-L191 PolarHBondContact O-N 3.23Å; L191-W193 VanDerWaalsContact C-N 3.29Å; L191-W193 PolarHBondContact O-N 3Å; L191-F194 PolarHBondContact O-N 3.31Å; L191-E195 WeakPolarHBondContact O-CB 3.44Å; L191-E195 VanDerWaalsContact O-CG 3.28Å; L191-E195 WeakPolarHBondContact O-CG 3.35Å; L191-E195 PolarHBondContact O-N 3.02Å
192Q75.4Confident63.1Low87 Ų8784.4 Ų84.441%0.40743%0.427SS..Hα-helixtrans-64.2-36.8175.3-60.1-179.217.100111.9K187 P188 P189 G196K187-Q192 HydrophobicContact CB-CG 3.79Å; K187-Q192 HydrophobicContact CD-CG 4.5Å; K187-Q192 PolarHBondContact O-NE2 3.31Å; P188-Q192 PolarHBondContact O-N 3.05Å; P189-Q192 PolarHBondContact O-N 3.1Å; Q192-G196 PolarHBondContact O-N 3.07Å
193W78.6Confident63.5Low9 Ų976.7 Ų76.73%0.03440%0.404CS..Hα-helixtrans-68.8-44.6175.9-177.581.6000112P189 R190 L191 G196 Q197 Y303 K307 G311P189-W193 PolarHBondContact O-N 3.2Å; R190-W193 PolarHBondContact O-N 3.49Å; L191-W193 VanDerWaalsContact C-N 3.29Å; L191-W193 PolarHBondContact O-N 3Å; W193-G196 PolarHBondContact O-N 3.47Å; W193-G196 VanDerWaalsContact O-N 3.17Å; W193-Q197 HydrophobicContact CD2-CG 4.15Å; W193-Q197 HydrophobicContact CE3-CG 4.33Å; W193-Q197 HydrophobicContact CH2-CG 4.09Å; W193-Q197 HydrophobicContact CZ2-CG 3.89Å; W193-Q197 HydrophobicContact CZ3-CG 4.3Å; W193-Q197 WeakPolarHBondContact O-CG 3.48Å; W193-Q197 PolarHBondContact O-N 3.11Å; W193-Y303 HydrophobicContact CH2-CE2 4.31Å; W193-Y303 HydrophobicContact CZ2-CE2 4.16Å; W193-K307 HydrophobicContact CH2-CB 4.11Å; W193-K307 HydrophobicContact CH2-CD 4.02Å; W193-K307 HydrophobicContact CH2-CG 3.77Å; W193-K307 HydrophobicContact CZ2-CB 3.92Å; W193-K307 HydrophobicContact CZ2-CG 4.09Å; W193-K307 HydrophobicContact CZ3-CG 4.24Å; W193-G311 VanDerWaalsContact CG-CA 3.45Å
194F73.1Confident64.2Low59 Ų5976.3 Ų76.326%0.25939%0.387SS..Hα-helixtrans-62.1-44173.7-72.6-51.8000112.5R190 L191 G196 Q197 A198R190-F194 HydrophobicContact CG-CD2 3.96Å; R190-F194 HydrophobicContact CG-CE2 3.67Å; R190-F194 WeakPolarHBondContact O-CD2 3.47Å; R190-F194 PolarHBondContact O-N 3.28Å; R190-F194 VanDerWaalsContact O-N 3.11Å; L191-F194 PolarHBondContact O-N 3.31Å; F194-G196 VanDerWaalsContact C-N 3.25Å; F194-G196 PolarHBondContact O-N 3.32Å; F194-Q197 PolarHBondContact O-N 3.44Å; F194-A198 PolarHBondContact O-N 2.86Å
195E73.1Confident64.3Low83 Ų8375.6 Ų75.639%0.38839%0.386SS..Hα-helixtrans-59.4-37173.3-74.3175-17400111.5K187 L191 K199K187-E195 IonicContact NZ-OE1 2.58Å; K187-E195 PolarHBondContact NZ-OE1 3.49Å; K187-E195 IonicContact NZ-OE2 3.42Å; K187-E195 PolarHBondContact NZ-OE2 2.78Å; L191-E195 WeakPolarHBondContact O-CB 3.44Å; L191-E195 VanDerWaalsContact O-CG 3.28Å; L191-E195 WeakPolarHBondContact O-CG 3.35Å; L191-E195 PolarHBondContact O-N 3.02Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact O-N 3.17Å
196G68.3Low63.9Low25 Ų2577.4 Ų77.426%0.25839%0.391SS..Hα-helixtrans-70.2-37.1176.600000113.8Q192 W193 F194 K200Q192-G196 PolarHBondContact O-N 3.07Å; W193-G196 PolarHBondContact O-N 3.47Å; W193-G196 VanDerWaalsContact O-N 3.17Å; F194-G196 VanDerWaalsContact C-N 3.25Å; F194-G196 PolarHBondContact O-N 3.32Å; G196-K200 PolarHBondContact O-N 2.77Å
197Q71.3Confident63.3Low34 Ų3470.2 Ų70.216%0.15937%0.366CS..Hα-helixtrans-67.9-44.3174.1-69-68.3-66.500111.2W193 F194 K199 K200 M201W193-Q197 HydrophobicContact CD2-CG 4.15Å; W193-Q197 HydrophobicContact CE3-CG 4.33Å; W193-Q197 HydrophobicContact CH2-CG 4.09Å; W193-Q197 HydrophobicContact CZ2-CG 3.89Å; W193-Q197 HydrophobicContact CZ3-CG 4.3Å; W193-Q197 WeakPolarHBondContact O-CG 3.48Å; W193-Q197 PolarHBondContact O-N 3.11Å; F194-Q197 PolarHBondContact O-N 3.44Å; Q197-K199 VanDerWaalsContact C-N 3.34Å; Q197-K199 PolarHBondContact O-N 3.42Å; Q197-K200 WeakPolarHBondContact O-CB 3.37Å; Q197-K200 PolarHBondContact O-N 3.23Å; Q197-M201 WeakPolarHBondContact O-CG 3.34Å; Q197-M201 PolarHBondContact O-N 3.33Å
198A65.8Low62.3Low49 Ų4969.6 Ų69.641%0.40537%0.371SS..Hα-helixtrans-59-44.1177.500000112.1F194 K200 M201 E202F194-A198 PolarHBondContact O-N 2.86Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.07Å; A198-M201 PolarHBondContact O-N 3.32Å; A198-E202 WeakPolarHBondContact O-CG 3.47Å; A198-E202 PolarHBondContact O-N 2.99Å
199K65.6Low60.7Low148 Ų14871 Ų7164%0.64339%0.385SS*.Hα-helixtrans-64.3-28.8175-75.5-178.8176.7-171.30114.1E195 Q197 G203E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact O-N 3.17Å; Q197-K199 VanDerWaalsContact C-N 3.34Å; Q197-K199 PolarHBondContact O-N 3.42Å; K199-G203 PolarHBondContact O-N 3.23Å; K199-G203 VanDerWaalsContact O-N 3.07Å
200K64Low59Low69 Ų6977 Ų7730%0.341%0.412SS..Hα-helixtrans-73.2-43.4176.5-173.4-177.1169.2-164.60110.4G196 Q197 A198 G203 E204 H251G196-K200 PolarHBondContact O-N 2.77Å; Q197-K200 WeakPolarHBondContact O-CB 3.37Å; Q197-K200 PolarHBondContact O-N 3.23Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.07Å; K200-G203 PolarHBondContact O-N 3.11Å; K200-E204 WeakPolarHBondContact CE-OE1 3.35Å; K200-E204 IonicContact NZ-OE1 2.79Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.49Å; K200-H251 PolarHBondContact NZ-CE1 2.99Å; K200-H251 PolarHBondContact NZ-ND1 3.36Å
201M55.1Low57.6Low109 Ų10984.1 Ų84.154%0.53745%0.446SS..Hα-helixtrans-60.6-44.8172.8-64.5-64-63.200111.5Q197 A198 G203 E204 E205Q197-M201 WeakPolarHBondContact O-CG 3.34Å; Q197-M201 PolarHBondContact O-N 3.33Å; A198-M201 PolarHBondContact O-N 3.32Å; M201-G203 VanDerWaalsContact C-N 3.29Å; M201-G203 PolarHBondContact O-N 3.42Å; M201-E204 PolarHBondContact O-N 3.4Å; M201-E205 PolarHBondContact O-N 3.44Å
202E55.9Low56.1Low127 Ų12787.5 Ų87.559%0.59346%0.46SS*.Hα-helixtrans-62-35.1175.4-72.8172.3176.600112.4A198 L206A198-E202 WeakPolarHBondContact O-CG 3.47Å; A198-E202 PolarHBondContact O-N 2.99Å; E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 3.07Å; E202-L206 VanDerWaalsContact O-N 3.09Å
203G49.9Very low54.3Low40 Ų4091.5 Ų91.541%0.41248%0.479SS..Hα-helixtrans-74.7-32.6176.200000113.6K199 K200 M201 A207K199-G203 PolarHBondContact O-N 3.23Å; K199-G203 VanDerWaalsContact O-N 3.07Å; K200-G203 PolarHBondContact O-N 3.11Å; M201-G203 VanDerWaalsContact C-N 3.29Å; M201-G203 PolarHBondContact O-N 3.42Å; G203-A207 WeakPolarHBondContact O-CB 3.08Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.12Å
204E53.5Low52.3Low86 Ų86101.7 Ų101.740%0.40252%0.517SS..Hα-helixtrans-73.7-41.1174.4-74.5170.3176.400110.9K200 M201 L206 A207 T208K200-E204 WeakPolarHBondContact CE-OE1 3.35Å; K200-E204 IonicContact NZ-OE1 2.79Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.49Å; M201-E204 PolarHBondContact O-N 3.4Å; E204-L206 PolarHBondContact O-N 3.06Å; E204-A207 PolarHBondContact O-N 3.32Å; E204-T208 PolarHBondContact O-N 3.11Å; E204-T208 PolarHBondContact O-OG1 2.76Å
205E44.3Very low50.3Low135 Ų135107.8 Ų107.863%0.63155%0.546SS*.Hα-helixtrans-62.5-38.9172.2-86.6-172.7151.500112.6M201 T208 A209M201-E205 PolarHBondContact O-N 3.44Å; E205-T208 WeakPolarHBondContact CA-OG1 3.34Å; E205-T208 PolarHBondContact O-OG1 3.25Å; E205-A209 WeakPolarHBondContact O-CB 3.41Å; E205-A209 PolarHBondContact O-N 3.06Å
206L42.7Very low48.5Very low108 Ų108110.8 Ų110.857%0.56557%0.565SS**Hα-helixtrans-67.7-41.6176.4-168.274.5000111.2E202 E204 T208 A209 E210E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 3.07Å; E202-L206 VanDerWaalsContact O-N 3.09Å; E204-L206 PolarHBondContact O-N 3.06Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.9Å; L206-A209 PolarHBondContact O-N 2.8Å; L206-E210 VanDerWaalsContact O-CG 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.07Å; L206-E210 VanDerWaalsContact O-N 3.08Å
207A42.5Very low47Very low52 Ų52115.5 Ų115.543%0.4359%0.589SS.*Hα-helixtrans-64.2-36.3177.100000112.7G203 E204G203-A207 WeakPolarHBondContact O-CB 3.08Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.12Å; E204-A207 PolarHBondContact O-N 3.32Å
208T39.2Very low45.2Very low87 Ų87121.2 Ų121.253%0.53462%0.621SS.*Hα-helixtrans-73.7-30.1173.949.60000113E204 E205 L206 E211E204-T208 PolarHBondContact O-N 3.11Å; E204-T208 PolarHBondContact O-OG1 2.76Å; E205-T208 WeakPolarHBondContact CA-OG1 3.34Å; E205-T208 PolarHBondContact O-OG1 3.25Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.9Å; T208-E211 PolarHBondContact O-N 2.86Å
209A40.8Very low43.7Very low62 Ų62121.8 Ų121.851%0.51263%0.631SS.*Hα-helixtrans-74.8-25.4177.600000113.1E205 L206 E211E205-A209 WeakPolarHBondContact O-CB 3.41Å; E205-A209 PolarHBondContact O-N 3.06Å; L206-A209 PolarHBondContact O-N 2.8Å; A209-E211 VanDerWaalsContact C-N 3.28Å
210E39.9Very low42.2Very low135 Ų135122.2 Ų122.263%0.63164%0.64SS**THydrogen-bonded Turntrans-72.3-19.3174.5-70.2173.9-150.900112.8L206L206-E210 VanDerWaalsContact O-CG 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.07Å; L206-E210 VanDerWaalsContact O-N 3.08Å
211E41.8Very low40.7Very low172 Ų172126 Ų12680%0.80466%0.664SS**SBendtrans-87.7-12.8178.4-69.5-175.5168.200113.7T208 A209T208-E211 PolarHBondContact O-N 2.86Å; A209-E211 VanDerWaalsContact C-N 3.28Å
212E37.3Very low39.8Very low161 Ų161127.3 Ų127.375%0.75267%0.673SS**  trans-102.511.4-178.8-67.4-160.6167.600114.9W214E212-W214 PolarHBondContact O-N 2.88Å; E212-W214 VanDerWaalsContact O-N 3.07Å; E212-W214 PolarHBondContact O-NE1 3.25Å
213E37.1Very low38.8Very low171 Ų171129 Ų12980%0.79968%0.683SS**SBendtrans-83.577.1175.5-163.8171-174.600112.1
214W37.3Very low38Very low223 Ų223133.7 Ų133.785%0.84570%0.698SS**  trans19.6105.3154.8-5688.1000119.3E212 D216E212-W214 PolarHBondContact O-N 2.88Å; E212-W214 VanDerWaalsContact O-N 3.07Å; E212-W214 PolarHBondContact O-NE1 3.25Å; W214-D216 PolarHBondContact O-N 3.14Å
215E30.4Very low37.1Very low187 Ų187135.7 Ų135.787%0.87471%0.712SS**  trans-75.892.4154.9-76.7-169.8161.100110.1V217E215-V217 PolarHBondContact O-N 3.2Å
216D36.6Very low36.7Very low147 Ų147135.6 Ų135.679%0.78672%0.716SS**  trans-68.998.4158.9-80.5-39.3000109W214W214-D216 PolarHBondContact O-N 3.14Å
217V35.7Very low36.4Very low124 Ų124137.4 Ų137.475%0.75273%0.726SS**  trans-107.6100.7167175.20000109.7E215E215-V217 PolarHBondContact O-N 3.2Å
218D34.6Very low36Very low154 Ų154143.8 Ų143.882%0.82474%0.744SS**  trans-56.3135.3161.1-76.3-54.6000111.6
219G33Very low35.7Very low60 Ų60146.8 Ų146.862%0.61975%0.752SS**  trans54.2112.6134.600000120.9
220D33.9Very low35.3Very low157 Ų157151 Ų15184%0.8476%0.761SS**  trans74.2100.8139.4-46.1-27.6000119.1
221N33.6Very low34.8Very low150 Ų150151.4 Ų151.480%0.80277%0.768SS**  176.5117.4114.2-107.7-4.3000112.7
222D35.7Very low34.3Very low136 Ų136147.6 Ų147.673%0.72777%0.766SS**  32.3119.4127.8-65.3-28.1000121.8
223M34.8Very low33.9Very low161 Ų161146.6 Ų146.679%0.79377%0.766SS**  78.7137.4122.8-72.7-153.917300122.5
224D33.8Very low33.6Very low139 Ų139147.1 Ų147.174%0.74377%0.768SS**  trans73.4135.6159.1-52.7-22.6000114.9
225D34.3Very low33.5Very low128 Ų128142.2 Ų142.268%0.68476%0.763SS**  cis-174144.129.1-150.56.2000109.1
226D35.5Very low33.4Very low134 Ų134142.1 Ų142.172%0.71777%0.765SS**  trans42.6110.5148.3-63.3-18.1000120.1
227D36.8Very low33.2Very low146 Ų146143.9 Ų143.978%0.78177%0.768SS**  42.8101.569.3-16331.6000113.9
228F33.1Very low32.9Very low185 Ų185147 Ų14781%0.81178%0.775SS**  177.8136.9124.6-164.6-111.8000111.7
229E33.2Very low32.7Very low150 Ų150147.8 Ų147.870%0.70177%0.773SS**  trans-77.4168.3-176.5-64.8-157.9163.700115.8
230E32.8Very low32.7Very low151 Ų151154.1 Ų154.171%0.70679%0.787SS**  122.9125.7120.6-143.2176.7-165.500116.8
231D28.6Very low32.2Very low143 Ų143150.3 Ų150.377%0.76578%0.784SS**  trans59123.1150.6-88.4-26.4000122
232A32.1Very low32Very low93 Ų93151.9 Ų151.977%0.76979%0.792SS**  170138.295.400000112.4
233D29.7Very low31.5Very low139 Ų139148.7 Ų148.774%0.74379%0.792SS**  trans-53.6136.6165.1179.920.4000112.8
234E30.6Very low31.8Very low182 Ų182146.3 Ų146.385%0.8580%0.798SS**  trans-169.2124.4136.1-107.6-179.2-151.600113.7
235T33.9Very low31.6Very low120 Ų120144 Ų14474%0.73680%0.798SS**  trans-53.4131168.6-280000114.4
236M29.2Very low31.3Very low185 Ų185143.4 Ų143.491%0.91180%0.804SS**  trans-147.9125.8153.1-84.2-149.7-161.100112.7
237E32.5Very low30.9Very low184 Ų184141.5 Ų141.586%0.8681%0.806SS**  trans-78.7130.4164.8-65.8176.1158.200110.2
238H29.3Very low30.8Very low191 Ų191138.9 Ų138.988%0.88480%0.8SS**  trans-158.6140.3143.9-130.9-78.6000112.4
239E30.6Very low31.1Very low169 Ų169136.2 Ų136.279%0.7980%0.801SS**  trans-73.2152.8-173.2-64.5-178.8146.800115.7
240E32.1Very low31.2Very low194 Ų194137.2 Ų137.291%0.90781%0.805SS**  trans64.2119.6155.7-65.2-165.4-178.300121.7
241G24.5Very low31.8Very low76 Ų76136 Ų13678%0.78480%0.8SS**  trans174.4107.616300000113.3
242D29.8Very low32.6Very low183 Ų183133.5 Ų133.598%0.97980%0.798SS**  trans-34.4131.8172.7-119-26.7000115.2
243G25.1Very low33.6Very low69 Ų69134.2 Ų134.271%0.71179%0.793SS**  trans177.3102.7175.800000113.2A245G243-A245 PolarHBondContact O-N 3.35Å
244A41.1Very low35.2Very low111 Ų111130.3 Ų130.392%0.91777%0.772SS**  trans-54.1127.5177.700000113.5
245A28.8Very low37Very low91 Ų91127.7 Ų127.775%0.75277%0.771SS**  trans-158.4141.3159.500000112.5G243G243-A245 PolarHBondContact O-N 3.35Å
246S27.5Very low39.1Very low116 Ų116124.4 Ų124.481%0.81176%0.76SS**  trans60.481.4157.459.30000120.3S248S246-S248 PolarHBondContact O-N 3.23Å
247A28.2Very low41.8Very low93 Ų93116.7 Ų116.777%0.76973%0.727SS**  trans-78.6107.2153.400000109.8
248S34.8Very low44.5Very low92 Ų92109 Ų10964%0.64369%0.691SS**  trans-53.8154.5155.5-60.80000110.1S246 H250S246-S248 PolarHBondContact O-N 3.23Å; S248-H250 PolarHBondContact O-N 2.75Å
249P38.9Very low47.4Very low129 Ų129102.7 Ų102.784%0.83867%0.667SS**  trans-61.796.1-174.223.1-31.9000110.5H251P249-H251 PolarHBondContact O-N 3.06Å
250H35.3Very low50.3Low170 Ų17096 Ų9679%0.78764%0.638SS**  trans-65.3106.9172.1-92.7-91.2000107.2S248 A252S248-H250 PolarHBondContact O-N 2.75Å; H250-A252 PolarHBondContact O-N 2.95Å
251H44.4Very low53.1Low127 Ų12789 Ų8959%0.58861%0.609SS**  trans-43.2112.9162.8-77-54.3000108.9K200 P249 V253K200-H251 PolarHBondContact NZ-CE1 2.99Å; K200-H251 PolarHBondContact NZ-ND1 3.36Å; P249-H251 PolarHBondContact O-N 3.06Å; H251-V253 PolarHBondContact O-N 3.31Å
252A46.2Very low56.4Low89 Ų8987.7 Ų87.774%0.73658%0.584SS**  trans-65.6101.6179.600000108.9H250 L254H250-A252 PolarHBondContact O-N 2.95Å; A252-L254 PolarHBondContact O-N 3.41Å; A252-L254 VanDerWaalsContact O-N 3.11Å
253V54.3Low59.5Low109 Ų10979 Ų7966%0.66154%0.538SS*.  trans-59.6115.1-179.6178.60000108.9H251 A257H251-V253 PolarHBondContact O-N 3.31Å; V253-A257 HydrophobicContact CG1-CB 3.68Å
254L62.3Low62.7Low56 Ų5675.8 Ų75.829%0.29350%0.504SS..  trans-62.8142179.8-72.2171.7000110.9A252 G256 A257 A310A252-L254 PolarHBondContact O-N 3.41Å; A252-L254 VanDerWaalsContact O-N 3.11Å; L254-G256 PolarHBondContact O-N 3.49Å; L254-A257 PolarHBondContact O-N 2.89Å; L254-A257 VanDerWaalsContact O-N 3.1Å; L254-A310 HydrophobicContact CB-CB 4.25Å
255P69Low65.2Low127 Ų12770.7 Ų70.783%0.82546%0.461SS*.THydrogen-bonded Turntrans-58.2113.2178-21.731.1000111.4
256G76.6Confident68.3Low51 Ų5167.4 Ų67.453%0.52643%0.432SS..THydrogen-bonded Turntrans105.96.7-179.600000115.6L254 G309 A310L254-G256 PolarHBondContact O-N 3.49Å; G256-G309 CarbonylContact O-C 3.56Å; G256-G309 WeakPolarHBondContact O-CA 3.31Å; G256-A310 PolarHBondContact O-N 3.33Å
257A86.4Confident71.2Confident24 Ų2467.9 Ų67.920%0.19843%0.433CS..PPolyproline II helixtrans-63.5137.1168.800000111.6V253 L254 E306V253-A257 HydrophobicContact CG1-CB 3.68Å; L254-A257 PolarHBondContact O-N 2.89Å; L254-A257 VanDerWaalsContact O-N 3.1Å; A257-E306 HydrophobicContact CB-CG 3.72Å
258I89.3Confident74.3Confident21 Ų2167.4 Ų67.411%0.10842%0.415CS..PPolyproline II helixtrans-80.4126.9173.7-58.2168.3000107.6D262 L264 G305 V308I258-D262 HydrophobicContact CG2-CB 3.61Å; I258-L264 HydrophobicContact CB-CD2 4.4Å; I258-L264 HydrophobicContact CG2-CD2 4.32Å; I258-G305 PolarHBondContact N-O 2.97Å; I258-V308 HydrophobicContact CD1-CB 4.29Å; I258-V308 HydrophobicContact CD1-CG1 4Å
259P90.2Very high77.1Confident59 Ų5968.7 Ų68.738%0.38341%0.41SS..PPolyproline II helixtrans-68.1154.3179.428.9-34000110.8T261 D262P259-T261 PolarHBondContact O-N 2.85Å; P259-D262 HydrophobicContact CG-CB 4.12Å; P259-D262 PolarHBondContact O-N 2.92Å
260P90.9Very high79.7Confident29 Ų2963 Ų6319%0.18837%0.373CS..THydrogen-bonded Turntrans-63.6-9.3-179.726.1-35.6000114.1L273 N276 I301P260-L273 HydrophobicContact CB-CD1 4.04Å; P260-N276 PolarHBondContact O-ND2 2.92Å; P260-I301 HydrophobicContact CB-CG2 4.1Å
261T92.4Very high82.2Confident47 Ų4763 Ų6329%0.28837%0.374SS..THydrogen-bonded Turntrans-85.6-20.9174.748.20000113.4P259 S270 N276P259-T261 PolarHBondContact O-N 2.85Å; T261-S270 WeakPolarHBondContact CB-O 3.49Å; T261-S270 WeakPolarHBondContact O-CA 3.15Å; T261-S270 PolarHBondContact O-N 3.27Å; T261-S270 VanDerWaalsContact O-O 3.11Å; T261-S270 PolarHBondContact O-OG 3.34Å; T261-N276 PolarHBondContact O-ND2 3.31Å
262D93.8Very high84.6Confident49 Ų4959.2 Ų59.226%0.26236%0.361SS..BIsolated β-bridgetrans-96.3143.8176.4-107.35.1000112.2I258 P259 L264 H269 N276I258-D262 HydrophobicContact CG2-CB 3.61Å; P259-D262 HydrophobicContact CG-CB 4.12Å; P259-D262 PolarHBondContact O-N 2.92Å; D262-L264 PolarHBondContact O-N 2.92Å; D262-H269 WeakPolarHBondContact OD1-CA 3.5Å; D262-H269 VanDerWaalsContact OD1-CB 3.23Å; D262-H269 WeakPolarHBondContact OD1-CB 3.13Å; D262-H269 IonicContact OD1-CG 3.36Å; D262-H269 IonicContact OD1-ND1 3.99Å; D262-H269 PolarHBondContact OD1-ND1 3Å; D262-N276 PolarHBondContact N-ND2 2.89Å; D262-N276 PolarHBondContact O-ND2 3.16Å
263C93.8Very high86.7Confident1 Ų156.6 Ų56.61%0.00734%0.335CS..  trans-65.5135.1177-178.10000111.1F265 C266 H268 N276 H279C263-F265 PolarHBondContact O-N 3.18Å; C263-C266 VanDerWaalsContact O-O 3.08Å; C263-C266 PolarHBondContact SG-SG 3.34Å; C263-H268 HydrophobicContact CB-CB 4.19Å; C263-H268 WeakPolarHBondContact CB-O 3.23Å; C263-H268 PolarHBondContact N-O 3.4Å; C263-N276 WeakPolarHBondContact CA-OD1 3.41Å; C263-H279 VanDerWaalsContact SG-CD2 3.56Å
264L92.9Very high88.5Confident1 Ų157.2 Ų57.21%0.00533%0.333CS..SBendtrans-67-25.4179.5-58.8-176.8000113.2I258 D262 M280 L304 Q331I258-L264 HydrophobicContact CB-CD2 4.4Å; I258-L264 HydrophobicContact CG2-CD2 4.32Å; D262-L264 PolarHBondContact O-N 2.92Å; L264-M280 HydrophobicContact CB-CE 3.84Å; L264-M280 HydrophobicContact CD1-CE 3.51Å; L264-M280 HydrophobicContact CG-CE 3.56Å; L264-M280 HydrophobicContact CG-SD 4.25Å; L264-L304 HydrophobicContact CD1-CB 3.71Å; L264-L304 HydrophobicContact CD1-CD1 4.48Å; L264-Q331 WeakPolarHBondContact O-CG 3.31Å; L264-Q331 PolarHBondContact O-NE2 3.23Å
265F94.1Very high90Very high3 Ų361.1 Ų61.11%0.01335%0.348CS..SBendtrans-109.5-12.2-169.2-46.6-62.8000114.4C263 M280 H284 F286 L315 M334 C340C263-F265 PolarHBondContact O-N 3.18Å; F265-M280 HydrophobicContact CD2-CE 4.08Å; F265-M280 HydrophobicContact CD2-CG 4.41Å; F265-M280 HydrophobicContact CE2-CB 4.38Å; F265-M280 HydrophobicContact CE2-CE 3.36Å; F265-M280 HydrophobicContact CE2-CG 4.37Å; F265-M280 HydrophobicContact CZ-CE 3.9Å; F265-H284 HydrophobicContact CB-CB 4.47Å; F265-H284 HydrophobicContact CD2-CB 3.61Å; F265-H284 AromaticContact CD2-CD2 3.95Å; F265-H284 AromaticContact CD2-CG 3.75Å; F265-H284 HydrophobicContact CE2-CB 4.23Å; F265-H284 HydrophobicContact CG-CB 4.29Å; F265-F286 HydrophobicContact CE2-CB 3.66Å; F265-F286 HydrophobicContact CE2-CD1 4.48Å; F265-F286 AromaticContact CE2-CD2 3.86Å; F265-F286 HydrophobicContact CE2-CD2 3.86Å; F265-F286 AromaticContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CZ-CB 4.2Å; F265-F286 AromaticContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CE2 4.02Å; F265-F286 AromaticContact CZ-CG 3.91Å; F265-F286 HydrophobicContact CZ-CG 3.91Å; F265-L315 HydrophobicContact CE1-CD1 4.16Å; F265-L315 HydrophobicContact CZ-CD1 4.4Å; F265-M334 HydrophobicContact CD1-CB 4.44Å; F265-M334 HydrophobicContact CD1-CE 3.72Å; F265-M334 HydrophobicContact CD1-SD 4.13Å; F265-M334 HydrophobicContact CE1-CE 3.37Å; F265-M334 HydrophobicContact CE1-SD 4.32Å; F265-C340 HydrophobicContact CD1-CB 4.06Å; F265-C340 HydrophobicContact CD2-CB 4.21Å; F265-C340 HydrophobicContact CE1-CB 4.02Å; F265-C340 HydrophobicContact CE2-CB 4.15Å; F265-C340 HydrophobicContact CG-CB 4.16Å; F265-C340 HydrophobicContact CZ-CB 4.06Å
266C92.1Very high91.2Very high22 Ų2255.1 Ų55.115%0.14931%0.309CS..SBendtrans-151166.1-175.678.30000110.9C263 H268 H279 H284C263-C266 VanDerWaalsContact O-O 3.08Å; C263-C266 PolarHBondContact SG-SG 3.34Å; C266-H268 PolarHBondContact O-N 3.04Å; C266-H268 WeakPolarHBondContact SG-CB 3.35Å; C266-H279 PolarHBondContact SG-NE2 2.91Å; C266-H284 WeakPolarHBondContact CB-NE2 3.46Å; C266-H284 PolarHBondContact SG-NE2 3.45Å
267P90.4Very high91.9Very high127 Ų12754.1 Ų54.183%0.82529%0.292SS*.SBendtrans-77.227-179.133.2-37000113.5
268H91.9Very high92.2Very high83 Ų8355 Ų5538%0.38430%0.299SS..  trans-87.4120.9-178.9-177.9-81.4000111.2C263 C266 H279C263-H268 HydrophobicContact CB-CB 4.19Å; C263-H268 WeakPolarHBondContact CB-O 3.23Å; C263-H268 PolarHBondContact N-O 3.4Å; C266-H268 PolarHBondContact O-N 3.04Å; C266-H268 WeakPolarHBondContact SG-CB 3.35Å; H268-H279 AromaticContact CD2-CE1 3.97Å; H268-H279 AromaticContact CG-CE1 3.65Å; H268-H279 AromaticContact CG-ND1 3.95Å; H268-H279 AromaticContact CG-NE2 3.87Å; H268-H279 AromaticContact ND1-CE1 3.99Å; H268-H279 AromaticContact ND1-CG 3.9Å; H268-H279 AromaticContact ND1-ND1 3.89Å
269H93.9Very high92.5Very high119 Ų11955.5 Ų55.555%0.55130%0.301SS*.BIsolated β-bridgetrans-91.5138.9173.9-171.866.9000112.1D262D262-H269 WeakPolarHBondContact OD1-CA 3.5Å; D262-H269 VanDerWaalsContact OD1-CB 3.23Å; D262-H269 WeakPolarHBondContact OD1-CB 3.13Å; D262-H269 IonicContact OD1-CG 3.36Å; D262-H269 IonicContact OD1-ND1 3.99Å; D262-H269 PolarHBondContact OD1-ND1 3Å
270S93.2Very high92.6Very high9 Ų952.8 Ų52.86%0.06328%0.283CS..  trans-128.6148.317774.70000111.8T261 S272 N276T261-S270 WeakPolarHBondContact CB-O 3.49Å; T261-S270 WeakPolarHBondContact O-CA 3.15Å; T261-S270 PolarHBondContact O-N 3.27Å; T261-S270 VanDerWaalsContact O-O 3.11Å; T261-S270 PolarHBondContact O-OG 3.34Å; S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.37Å; S270-S272 PolarHBondContact OG-O 2.89Å; S270-N276 VanDerWaalsContact OG-CA 3.3Å; S270-N276 WeakPolarHBondContact OG-CA 3.34Å; S270-N276 WeakPolarHBondContact OG-CB 3.38Å; S270-N276 PolarHBondContact OG-N 2.98Å
271H88.9Confident92.7Very high171 Ų17153.7 Ų53.779%0.79229%0.288SS*.SBendtrans-76.4-12.6-175.4-168.3-70.8000113.9
272S94Very high92.7Very high47 Ų4760 Ų6033%0.32931%0.311SS..SBendtrans-152.8146-177.5172.60000110.1S270 L274 K275 N276S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.37Å; S270-S272 PolarHBondContact OG-O 2.89Å; S272-L274 VanDerWaalsContact C-N 3.27Å; S272-L274 PolarHBondContact O-N 2.76Å; S272-K275 PolarHBondContact O-N 2.96Å; S272-N276 PolarHBondContact O-N 3.34Å
273L90.8Very high92.7Very high34 Ų3462 Ų6218%0.17833%0.325CS..Hα-helixtrans-51.2-44.7177.4175.159000112.6P260 K275 N276 L277 L297 K298 I301P260-L273 HydrophobicContact CB-CD1 4.04Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.89Å; L273-N276 VanDerWaalsContact O-CB 3.26Å; L273-N276 WeakPolarHBondContact O-CB 3.4Å; L273-N276 PolarHBondContact O-N 3.39Å; L273-L277 PolarHBondContact O-N 2.87Å; L273-L297 HydrophobicContact CD2-CG 4.49Å; L273-K298 HydrophobicContact CD2-CB 4.07Å; L273-K298 HydrophobicContact CD2-CG 4.29Å; L273-I301 HydrophobicContact CD1-CB 4.11Å; L273-I301 HydrophobicContact CD1-CG1 4.13Å; L273-I301 HydrophobicContact CD1-CG2 3.84Å
274L91.6Very high92.6Very high121 Ų12163 Ų6363%0.63433%0.33SS*.Hα-helixtrans-65.7-35.8-179.5-64.7175.6000112.2S272 A278 L297S272-L274 VanDerWaalsContact C-N 3.27Å; S272-L274 PolarHBondContact O-N 2.76Å; L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.81Å; L274-L297 HydrophobicContact CD2-CD2 4.37Å
275K93.6Very high92.5Very high138 Ų13865.8 Ų65.860%0.635%0.349SS*.Hα-helixtrans-71-36.2174.6-69.6-177-179.2175.30111.2S272 L273 A278 H279S272-K275 PolarHBondContact O-N 2.96Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.89Å; K275-A278 PolarHBondContact O-N 3.39Å; K275-H279 PolarHBondContact O-N 3.09Å
276N94Very high92.4Very high1 Ų165.7 Ų65.71%0.00535%0.349CS..Hα-helixtrans-59-53172.6-161.1-17.1000110.8P260 T261 D262 C263 S270 S272 L273 A278 H279 M280P260-N276 PolarHBondContact O-ND2 2.92Å; T261-N276 PolarHBondContact O-ND2 3.31Å; D262-N276 PolarHBondContact N-ND2 2.89Å; D262-N276 PolarHBondContact O-ND2 3.16Å; C263-N276 WeakPolarHBondContact CA-OD1 3.41Å; S270-N276 VanDerWaalsContact OG-CA 3.3Å; S270-N276 WeakPolarHBondContact OG-CA 3.34Å; S270-N276 WeakPolarHBondContact OG-CB 3.38Å; S270-N276 PolarHBondContact OG-N 2.98Å; S272-N276 PolarHBondContact O-N 3.34Å; L273-N276 VanDerWaalsContact O-CB 3.26Å; L273-N276 WeakPolarHBondContact O-CB 3.4Å; L273-N276 PolarHBondContact O-N 3.39Å; N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 3.1Å; N276-H279 CarbonylContact O-C 3.36Å; N276-H279 WeakPolarHBondContact O-CA 3.46Å; N276-H279 WeakPolarHBondContact O-CB 3.45Å; N276-H279 PolarHBondContact O-N 3.45Å; N276-M280 WeakPolarHBondContact O-CG 3.14Å; N276-M280 PolarHBondContact O-N 2.96Å; N276-M280 PolarHBondContact OD1-SD 3.23Å
277L91.8Very high92.3Very high31 Ų3171.1 Ų71.116%0.16237%0.37CS..Hα-helixtrans-58.4-45.3179.8-162.286.3000110.6L273 H279 M280 T281 F286 L288 I301L273-L277 PolarHBondContact O-N 2.87Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.11Å; L277-M280 PolarHBondContact O-N 2.85Å; L277-M280 VanDerWaalsContact O-N 3.14Å; L277-T281 PolarHBondContact O-N 2.92Å; L277-T281 PolarHBondContact O-OG1 3.43Å; L277-T281 VanDerWaalsContact O-OG1 3.07Å; L277-F286 HydrophobicContact CD1-CE1 4.46Å; L277-L288 HydrophobicContact CD1-CD1 3.91Å; L277-I301 HydrophobicContact CD1-CD1 3.91Å
278A92.7Very high92.2Very high43 Ų4366 Ų6636%0.35534%0.336SS..Hα-helixtrans-60.6-36.8175.900000112.9L274 K275 N276 K282L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.81Å; K275-A278 PolarHBondContact O-N 3.39Å; N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 3.1Å; A278-K282 VanDerWaalsContact O-CB 3.31Å; A278-K282 WeakPolarHBondContact O-CB 3.27Å; A278-K282 WeakPolarHBondContact O-CG 3.37Å; A278-K282 PolarHBondContact O-N 2.58Å; A278-K282 VanDerWaalsContact O-N 3.09Å
279H94.5Very high91.9Very high31 Ų3163.9 Ų63.914%0.14433%0.329CS..Hα-helixtrans-66.1-48.1172.3165.985.5000111.2C263 C266 H268 K275 N276 L277 T281 K282 V283 H284C263-H279 VanDerWaalsContact SG-CD2 3.56Å; C266-H279 PolarHBondContact SG-NE2 2.91Å; H268-H279 AromaticContact CD2-CE1 3.97Å; H268-H279 AromaticContact CG-CE1 3.65Å; H268-H279 AromaticContact CG-ND1 3.95Å; H268-H279 AromaticContact CG-NE2 3.87Å; H268-H279 AromaticContact ND1-CE1 3.99Å; H268-H279 AromaticContact ND1-CG 3.9Å; H268-H279 AromaticContact ND1-ND1 3.89Å; K275-H279 PolarHBondContact O-N 3.09Å; N276-H279 CarbonylContact O-C 3.36Å; N276-H279 WeakPolarHBondContact O-CA 3.46Å; N276-H279 WeakPolarHBondContact O-CB 3.45Å; N276-H279 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.11Å; H279-T281 VanDerWaalsContact C-N 3.33Å; H279-T281 PolarHBondContact O-N 3.17Å; H279-K282 PolarHBondContact O-N 3.17Å; H279-V283 WeakPolarHBondContact O-CB 3.29Å; H279-V283 PolarHBondContact O-N 3.15Å; H279-H284 AromaticContact NE2-CD2 3.84Å; H279-H284 AromaticContact NE2-NE2 3.66Å
280M92.8Very high91.3Very high1 Ų162.8 Ų62.81%0.00533%0.328CS..Hα-helixtrans-60-41.2179.2-68.2170.96600112L264 F265 N276 L277 H284 S285 F286L264-M280 HydrophobicContact CB-CE 3.84Å; L264-M280 HydrophobicContact CD1-CE 3.51Å; L264-M280 HydrophobicContact CG-CE 3.56Å; L264-M280 HydrophobicContact CG-SD 4.25Å; F265-M280 HydrophobicContact CD2-CE 4.08Å; F265-M280 HydrophobicContact CD2-CG 4.41Å; F265-M280 HydrophobicContact CE2-CB 4.38Å; F265-M280 HydrophobicContact CE2-CE 3.36Å; F265-M280 HydrophobicContact CE2-CG 4.37Å; F265-M280 HydrophobicContact CZ-CE 3.9Å; N276-M280 WeakPolarHBondContact O-CG 3.14Å; N276-M280 PolarHBondContact O-N 2.96Å; N276-M280 PolarHBondContact OD1-SD 3.23Å; L277-M280 PolarHBondContact O-N 2.85Å; L277-M280 VanDerWaalsContact O-N 3.14Å; M280-H284 CarbonylContact O-C 3.59Å; M280-H284 WeakPolarHBondContact O-CA 3.45Å; M280-H284 WeakPolarHBondContact O-CB 3.27Å; M280-H284 PolarHBondContact O-N 3.28Å; M280-S285 PolarHBondContact O-N 3.02Å; M280-S285 VanDerWaalsContact O-N 3.14Å; M280-F286 HydrophobicContact CB-CB 4.05Å; M280-F286 HydrophobicContact CB-CD1 4.24Å; M280-F286 HydrophobicContact CE-CD1 3.62Å; M280-F286 HydrophobicContact CE-CE1 3.84Å; M280-F286 HydrophobicContact CE-CG 4.07Å; M280-F286 HydrophobicContact CE-CZ 4.47Å; M280-F286 PolarHBondContact O-N 3Å; M280-F286 VanDerWaalsContact O-N 3.12Å
281T93.1Very high90.9Very high48 Ų4867.1 Ų67.129%0.29435%0.349SS..Hα-helixtrans-69.4-38176.2-55.30000112.2L277 H279 S285 F286 F287L277-T281 PolarHBondContact O-N 2.92Å; L277-T281 PolarHBondContact O-OG1 3.43Å; L277-T281 VanDerWaalsContact O-OG1 3.07Å; H279-T281 VanDerWaalsContact C-N 3.33Å; H279-T281 PolarHBondContact O-N 3.17Å; T281-S285 VanDerWaalsContact O-CA 3.3Å; T281-S285 WeakPolarHBondContact O-CA 3.18Å; T281-S285 PolarHBondContact O-N 3.25Å; T281-F286 WeakPolarHBondContact CA-O 3.32Å; T281-F286 WeakPolarHBondContact CB-O 3.38Å; T281-F286 PolarHBondContact OG1-O 3.09Å; T281-F287 HydrophobicContact CG2-CD1 4.25Å; T281-F287 HydrophobicContact CG2-CE1 3.79Å; T281-F287 HydrophobicContact CG2-CZ 4.14Å
282K92.9Very high90.6Very high179 Ų17967.3 Ų67.378%0.77835%0.351SS*.Hα-helixtrans-78.6-45-178.5-73.9176.6-178.8-179.80113.9A278 H279A278-K282 VanDerWaalsContact O-CB 3.31Å; A278-K282 WeakPolarHBondContact O-CB 3.27Å; A278-K282 WeakPolarHBondContact O-CG 3.37Å; A278-K282 PolarHBondContact O-N 2.58Å; A278-K282 VanDerWaalsContact O-N 3.09Å; H279-K282 PolarHBondContact O-N 3.17Å
283V93.4Very high90.1Very high91 Ų9167.3 Ų67.355%0.55235%0.345SS*.Hα-helixtrans-89.9-39.2-172.9179.50000111.3H279H279-V283 WeakPolarHBondContact O-CB 3.29Å; H279-V283 PolarHBondContact O-N 3.15Å
284H92.2Very high89.9Confident23 Ų2366.9 Ų66.911%0.10634%0.343CS..SBendtrans-109.51.7-173.6-59.7-68.7000113.5F265 C266 H279 M280 F286 C340F265-H284 HydrophobicContact CB-CB 4.47Å; F265-H284 HydrophobicContact CD2-CB 3.61Å; F265-H284 AromaticContact CD2-CD2 3.95Å; F265-H284 AromaticContact CD2-CG 3.75Å; F265-H284 HydrophobicContact CE2-CB 4.23Å; F265-H284 HydrophobicContact CG-CB 4.29Å; C266-H284 WeakPolarHBondContact CB-NE2 3.46Å; C266-H284 PolarHBondContact SG-NE2 3.45Å; H279-H284 AromaticContact NE2-CD2 3.84Å; H279-H284 AromaticContact NE2-NE2 3.66Å; M280-H284 CarbonylContact O-C 3.59Å; M280-H284 WeakPolarHBondContact O-CA 3.45Å; M280-H284 WeakPolarHBondContact O-CB 3.27Å; M280-H284 PolarHBondContact O-N 3.28Å; H284-F286 PolarHBondContact O-N 3.03Å; H284-C340 HydrophobicContact CB-CB 4.12Å; H284-C340 WeakPolarHBondContact O-CB 3.42Å
285S89.9Confident89.6Confident60 Ų6067.2 Ų67.242%0.4234%0.344SS..  trans51.935.3-177.161.60000113M280 T281 F287M280-S285 PolarHBondContact O-N 3.02Å; M280-S285 VanDerWaalsContact O-N 3.14Å; T281-S285 VanDerWaalsContact O-CA 3.3Å; T281-S285 WeakPolarHBondContact O-CA 3.18Å; T281-S285 PolarHBondContact O-N 3.25Å; S285-F287 WeakPolarHBondContact O-CD2 3.37Å; S285-F287 WeakPolarHBondContact O-CE2 3.37Å
286F92.3Very high89.3Confident0 Ų064.3 Ų64.30%034%0.335CS..  trans-77.1124.7176.1179.9-109.6000110.2F265 L277 M280 T281 H284 L288 I301 L304 C340 L342F265-F286 HydrophobicContact CE2-CB 3.66Å; F265-F286 HydrophobicContact CE2-CD1 4.48Å; F265-F286 AromaticContact CE2-CD2 3.86Å; F265-F286 HydrophobicContact CE2-CD2 3.86Å; F265-F286 AromaticContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CZ-CB 4.2Å; F265-F286 AromaticContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CE2 4.02Å; F265-F286 AromaticContact CZ-CG 3.91Å; F265-F286 HydrophobicContact CZ-CG 3.91Å; L277-F286 HydrophobicContact CD1-CE1 4.46Å; M280-F286 HydrophobicContact CB-CB 4.05Å; M280-F286 HydrophobicContact CB-CD1 4.24Å; M280-F286 HydrophobicContact CE-CD1 3.62Å; M280-F286 HydrophobicContact CE-CE1 3.84Å; M280-F286 HydrophobicContact CE-CG 4.07Å; M280-F286 HydrophobicContact CE-CZ 4.47Å; M280-F286 PolarHBondContact O-N 3Å; M280-F286 VanDerWaalsContact O-N 3.12Å; T281-F286 WeakPolarHBondContact CA-O 3.32Å; T281-F286 WeakPolarHBondContact CB-O 3.38Å; T281-F286 PolarHBondContact OG1-O 3.09Å; H284-F286 PolarHBondContact O-N 3.03Å; F286-L288 HydrophobicContact CE1-CD2 3.61Å; F286-L288 HydrophobicContact CE1-CG 3.84Å; F286-L288 HydrophobicContact CZ-CD2 3.49Å; F286-L288 VanDerWaalsContact CZ-CD2 3.49Å; F286-L288 HydrophobicContact CZ-CG 4.21Å; F286-I301 HydrophobicContact CE1-CD1 4.34Å; F286-L304 HydrophobicContact CZ-CD1 3.95Å; F286-C340 WeakPolarHBondContact CA-O 3.49Å; F286-C340 WeakPolarHBondContact CD2-O 3.49Å; F286-L342 HydrophobicContact CE2-CB 4.4Å
287F90.1Very high89.1Confident136 Ų13666.2 Ų66.260%0.59635%0.345SS*.  trans-123.3135.3177.8-68.5-80.7000109.4T281 S285T281-F287 HydrophobicContact CG2-CD1 4.25Å; T281-F287 HydrophobicContact CG2-CE1 3.79Å; T281-F287 HydrophobicContact CG2-CZ 4.14Å; S285-F287 WeakPolarHBondContact O-CD2 3.37Å; S285-F287 WeakPolarHBondContact O-CE2 3.37Å
288L88.3Confident88.9Confident20 Ų2071.3 Ų71.311%0.10537%0.366CS..  trans-93.1124.8170-68.8175.2000108L277 F286 L291 L294 L297 L300 I301L277-L288 HydrophobicContact CD1-CD1 3.91Å; F286-L288 HydrophobicContact CE1-CD2 3.61Å; F286-L288 HydrophobicContact CE1-CG 3.84Å; F286-L288 HydrophobicContact CZ-CD2 3.49Å; F286-L288 VanDerWaalsContact CZ-CD2 3.49Å; F286-L288 HydrophobicContact CZ-CG 4.21Å; L288-L291 HydrophobicContact CB-CD2 3.66Å; L288-L291 HydrophobicContact CB-CG 4.08Å; L288-L291 HydrophobicContact CD1-CD2 3.86Å; L288-L291 HydrophobicContact CG-CD2 4.4Å; L288-L294 HydrophobicContact CD1-CD2 4.47Å; L288-L297 HydrophobicContact CD1-CD1 3.5Å; L288-L297 VanDerWaalsContact CD1-CD1 3.5Å; L288-L300 HydrophobicContact CD2-CD2 3.9Å; L288-I301 HydrophobicContact CD1-CD1 4.48Å
289P85.7Confident88.8Confident38 Ų3870.1 Ų70.125%0.24736%0.358CS..THydrogen-bonded Turntrans-60149.7170.1-2538.3000111L291 T344 Y356P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 2.88Å; P289-L291 VanDerWaalsContact O-N 3.08Å; P289-T344 HydrophobicContact CG-CG2 3.78Å; P289-Y356 WeakPolarHBondContact O-CE1 3.46Å; P289-Y356 PolarHBondContact O-OH 3.47Å
290D81.6Confident88.7Confident96 Ų9668.7 Ų68.751%0.51335%0.351SS..THydrogen-bonded Turntrans48.545.6163.3-56.5-28.6000115.6E292 F293 Y356 F358D290-E292 PolarHBondContact O-N 3.11Å; D290-F293 HydrophobicContact CB-CD2 4.09Å; D290-F293 PolarHBondContact O-N 3.4Å; D290-Y356 HydrophobicContact CB-CE1 4.26Å; D290-F358 HydrophobicContact CB-CE1 4.43Å
291L84.6Confident88.6Confident100 Ų10068.7 Ų68.752%0.52435%0.351SS..G310 helixtrans-53.4-23.9179.8-78.6170.8000114.3L288 P289 F293 L294L288-L291 HydrophobicContact CB-CD2 3.66Å; L288-L291 HydrophobicContact CB-CG 4.08Å; L288-L291 HydrophobicContact CD1-CD2 3.86Å; L288-L291 HydrophobicContact CG-CD2 4.4Å; P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 2.88Å; P289-L291 VanDerWaalsContact O-N 3.08Å; L291-F293 VanDerWaalsContact C-N 3.29Å; L291-F293 PolarHBondContact O-N 3.39Å; L291-L294 HydrophobicContact CD2-CD2 4.27Å
292E82.6Confident88.6Confident175 Ų17568.5 Ų68.582%0.81835%0.351SS*.G310 helixtrans-67.9-28.2179.2-64.4176.7-176.100112.6D290D290-E292 PolarHBondContact O-N 3.11Å
293F84.6Confident88.5Confident48 Ų4861.6 Ų61.621%0.21132%0.32CS..G310 helixtrans-103.36.4-177.2-53.5-57.5000112.8D290 L291 I295 Y356 D357 F358 T360 S361D290-F293 HydrophobicContact CB-CD2 4.09Å; D290-F293 PolarHBondContact O-N 3.4Å; L291-F293 VanDerWaalsContact C-N 3.29Å; L291-F293 PolarHBondContact O-N 3.39Å; F293-I295 PolarHBondContact O-N 3.33Å; F293-Y356 HydrophobicContact CB-CD1 4.38Å; F293-Y356 CarbonylContact O-C 3.35Å; F293-Y356 WeakPolarHBondContact O-CA 3.37Å; F293-D357 PolarHBondContact O-N 3.22Å; F293-F358 HydrophobicContact CB-CD1 4.05Å; F293-F358 HydrophobicContact CB-CE1 4.09Å; F293-F358 AromaticContact CD2-CD1 3.93Å; F293-F358 HydrophobicContact CD2-CD1 3.93Å; F293-F358 AromaticContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CG-CD1 4.03Å; F293-F358 HydrophobicContact CG-CE1 4.28Å; F293-T360 WeakPolarHBondContact CD1-OG1 3.21Å; F293-S361 WeakPolarHBondContact CD1-OG 3.36Å; F293-S361 WeakPolarHBondContact CE1-OG 3.38Å; F293-S361 WeakPolarHBondContact CE2-OG 3.26Å; F293-S361 WeakPolarHBondContact CZ-OG 3.44Å
294L86.1Confident88.4Confident25 Ų2557.2 Ų57.213%0.13129%0.294CS..BIsolated β-bridgetrans-87104.4-177.8-172.280.3000110.7L288 L291 L297 L300 F355 Y356L288-L294 HydrophobicContact CD1-CD2 4.47Å; L291-L294 HydrophobicContact CD2-CD2 4.27Å; L294-L297 HydrophobicContact CD2-CB 3.76Å; L294-L297 HydrophobicContact CD2-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CG 4.22Å; L294-L300 HydrophobicContact CD1-CB 4.45Å; L294-L300 HydrophobicContact CD1-CD2 3.64Å; L294-L300 HydrophobicContact CD2-CD2 4.33Å; L294-F355 HydrophobicContact CD1-CB 4.24Å; L294-Y356 HydrophobicContact CB-CD1 4.27Å; L294-Y356 HydrophobicContact CB-CE1 4.05Å; L294-Y356 HydrophobicContact CD1-CD1 4.06Å; L294-Y356 HydrophobicContact CD1-CD2 4Å; L294-Y356 HydrophobicContact CD1-CE1 3.67Å; L294-Y356 HydrophobicContact CD1-CE2 3.61Å; L294-Y356 HydrophobicContact CD1-CG 4.21Å; L294-Y356 VanDerWaalsContact CD1-CZ 3.44Å; L294-Y356 HydrophobicContact CG-CE1 4.47Å
295I85.3Confident88.4Confident128 Ų12856.1 Ų56.166%0.65629%0.289SS*.SBendtrans-72.4-46.3176.6-60.9-178.2000110.5F293 F355 D357F293-I295 PolarHBondContact O-N 3.33Å; I295-F355 PolarHBondContact N-O 2.87Å; I295-D357 HydrophobicContact CD1-CB 3.22Å; I295-D357 HydrophobicContact CG1-CB 3.71Å
296N87.1Confident88.5Confident77 Ų7754.2 Ų54.241%0.41227%0.274SS..  trans-118.277-169.2-164.9-8.8000113.1K298 G299 L300 F355N296-K298 VanDerWaalsContact C-N 3.29Å; N296-K298 PolarHBondContact O-N 3.49Å; N296-K298 PolarHBondContact OD1-N 2.84Å; N296-G299 PolarHBondContact O-N 2.99Å; N296-G299 PolarHBondContact OD1-N 3.35Å; N296-L300 PolarHBondContact O-N 3.09Å; N296-L300 VanDerWaalsContact O-N 3.08Å; N296-F355 HydrophobicContact CB-CD1 4.44Å
297L88.8Confident88.4Confident40 Ų4054.6 Ų54.621%0.20928%0.275CS..Hα-helixtrans-58.7-39.4175.3179.664.2000112.8L273 L274 L288 L294 I301L273-L297 HydrophobicContact CD2-CG 4.49Å; L274-L297 HydrophobicContact CD2-CD2 4.37Å; L288-L297 HydrophobicContact CD1-CD1 3.5Å; L288-L297 VanDerWaalsContact CD1-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CB 3.76Å; L294-L297 HydrophobicContact CD2-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CG 4.22Å; L297-I301 HydrophobicContact CD1-CG1 4.16Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.38Å; L297-I301 VanDerWaalsContact O-N 3.11Å
298K89.5Confident88.5Confident138 Ų13848.1 Ų48.160%0.625%0.247SC*.Hα-helixtrans-67.2-44.9-178-173.3-177.9176.5-171.60110.7L273 N296 I301 C302L273-K298 HydrophobicContact CD2-CB 4.07Å; L273-K298 HydrophobicContact CD2-CG 4.29Å; N296-K298 VanDerWaalsContact C-N 3.29Å; N296-K298 PolarHBondContact O-N 3.49Å; N296-K298 PolarHBondContact OD1-N 2.84Å; K298-I301 PolarHBondContact O-N 2.98Å; K298-C302 WeakPolarHBondContact O-CB 3.26Å; K298-C302 PolarHBondContact O-N 3.32Å; K298-C302 PolarHBondContact O-SG 2.79Å
299G90.3Very high88.6Confident19 Ų1947.2 Ų47.220%0.19624%0.243CC..Hα-helixtrans-59.8-48.4176.700000111.8N296 I301 C302 Y303N296-G299 PolarHBondContact O-N 2.99Å; N296-G299 PolarHBondContact OD1-N 3.35Å; G299-I301 PolarHBondContact O-N 3.18Å; G299-C302 PolarHBondContact O-N 3.1Å; G299-Y303 WeakPolarHBondContact O-CB 3.39Å; G299-Y303 PolarHBondContact O-N 3.32Å
300L90.9Very high88.7Confident0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-58.7-46.7178.4-178.363.9000111.7L288 L294 N296 Y303 L304 F352 F355 Y356L288-L300 HydrophobicContact CD2-CD2 3.9Å; L294-L300 HydrophobicContact CD1-CB 4.45Å; L294-L300 HydrophobicContact CD1-CD2 3.64Å; L294-L300 HydrophobicContact CD2-CD2 4.33Å; N296-L300 PolarHBondContact O-N 3.09Å; N296-L300 VanDerWaalsContact O-N 3.08Å; L300-Y303 PolarHBondContact O-N 3.05Å; L300-L304 HydrophobicContact CD1-CG 4.48Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.5Å; L300-L304 PolarHBondContact O-N 3.48Å; L300-F352 HydrophobicContact CD1-CD1 3.83Å; L300-F355 HydrophobicContact CB-CB 4.28Å; L300-F355 HydrophobicContact CB-CD1 4.29Å; L300-F355 HydrophobicContact CB-CG 4.11Å; L300-F355 HydrophobicContact CD1-CB 4.46Å; L300-F355 HydrophobicContact CD1-CD2 3.83Å; L300-F355 HydrophobicContact CD1-CE2 4.36Å; L300-F355 HydrophobicContact CD1-CG 4.2Å; L300-Y356 HydrophobicContact CD2-CE2 4.27Å
301I92.2Very high88.9Confident2 Ų241.7 Ų41.71%0.0121%0.213CC..Hα-helixtrans-68-38.3-179.6-63.7-66000111.8P260 L273 L277 F286 L288 L297 K298 G299 L304 G305P260-I301 HydrophobicContact CB-CG2 4.1Å; L273-I301 HydrophobicContact CD1-CB 4.11Å; L273-I301 HydrophobicContact CD1-CG1 4.13Å; L273-I301 HydrophobicContact CD1-CG2 3.84Å; L277-I301 HydrophobicContact CD1-CD1 3.91Å; F286-I301 HydrophobicContact CE1-CD1 4.34Å; L288-I301 HydrophobicContact CD1-CD1 4.48Å; L297-I301 HydrophobicContact CD1-CG1 4.16Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.38Å; L297-I301 VanDerWaalsContact O-N 3.11Å; K298-I301 PolarHBondContact O-N 2.98Å; G299-I301 PolarHBondContact O-N 3.18Å; I301-L304 HydrophobicContact CD1-CD1 4.38Å; I301-L304 PolarHBondContact O-N 2.91Å; I301-G305 PolarHBondContact O-N 2.84Å
302C91.6Very high89.2Confident43 Ų4339.2 Ų39.229%0.29120%0.198SC..Hα-helixtrans-60.1-46.1173.1-73.40000111.4K298 G299 L304 G305 E306K298-C302 WeakPolarHBondContact O-CB 3.26Å; K298-C302 PolarHBondContact O-N 3.32Å; K298-C302 PolarHBondContact O-SG 2.79Å; G299-C302 PolarHBondContact O-N 3.1Å; C302-L304 PolarHBondContact O-N 3.45Å; C302-G305 CarbonylContact O-C 3.57Å; C302-G305 WeakPolarHBondContact O-CA 3.35Å; C302-G305 PolarHBondContact O-N 3.41Å; C302-G305 VanDerWaalsContact O-N 3.09Å; C302-E306 PolarHBondContact O-N 2.9Å
303Y91.3Very high89.4Confident34 Ų3431.1 Ų31.113%0.13316%0.161CC..Hα-helixtrans-61.1-43.9177.1177.3-100.2000112.3W193 G299 L300 G305 E306 K307 F352 F355W193-Y303 HydrophobicContact CH2-CE2 4.31Å; W193-Y303 HydrophobicContact CZ2-CE2 4.16Å; G299-Y303 WeakPolarHBondContact O-CB 3.39Å; G299-Y303 PolarHBondContact O-N 3.32Å; L300-Y303 PolarHBondContact O-N 3.05Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.28Å; Y303-E306 WeakPolarHBondContact O-CB 3.32Å; Y303-E306 PolarHBondContact O-N 3.2Å; Y303-E306 VanDerWaalsContact O-N 3.16Å; Y303-K307 HydrophobicContact CE1-CD 4.18Å; Y303-K307 PolarHBondContact O-N 2.98Å; Y303-F352 HydrophobicContact CD1-CD1 4.34Å; Y303-F352 HydrophobicContact CD1-CE1 4.06Å; Y303-F352 HydrophobicContact CE1-CD1 4.17Å; Y303-F352 AromaticContact CE1-CE1 3.72Å; Y303-F352 HydrophobicContact CE1-CE1 3.72Å; Y303-F355 HydrophobicContact CD1-CE2 4.43Å; Y303-F355 HydrophobicContact CG-CE2 4.31Å; Y303-F355 HydrophobicContact CG-CZ 4.28Å
304L91.6Very high89.8Confident0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-63.5-35.3174.4-64.7176.4000111.9L264 F286 L300 I301 C302 K307 V308 L315 L342 F352L264-L304 HydrophobicContact CD1-CB 3.71Å; L264-L304 HydrophobicContact CD1-CD1 4.48Å; F286-L304 HydrophobicContact CZ-CD1 3.95Å; L300-L304 HydrophobicContact CD1-CG 4.48Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.5Å; L300-L304 PolarHBondContact O-N 3.48Å; I301-L304 HydrophobicContact CD1-CD1 4.38Å; I301-L304 PolarHBondContact O-N 2.91Å; C302-L304 PolarHBondContact O-N 3.45Å; L304-K307 PolarHBondContact O-N 2.87Å; L304-V308 WeakPolarHBondContact O-CG2 3.32Å; L304-V308 PolarHBondContact O-N 3.37Å; L304-L315 HydrophobicContact CD2-CD1 4.18Å; L304-L315 HydrophobicContact CD2-CD2 3.68Å; L304-L342 HydrophobicContact CD1-CD1 4.4Å; L304-L342 HydrophobicContact CD2-CD1 3.59Å; L304-F352 HydrophobicContact CD2-CE1 3.94Å; L304-F352 HydrophobicContact CD2-CZ 4.45Å
305G92.6Very high89.9Confident0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-62.3-38.8171.900000113.4I258 I301 C302 Y303 G309I258-G305 PolarHBondContact N-O 2.97Å; I301-G305 PolarHBondContact O-N 2.84Å; C302-G305 CarbonylContact O-C 3.57Å; C302-G305 WeakPolarHBondContact O-CA 3.35Å; C302-G305 PolarHBondContact O-N 3.41Å; C302-G305 VanDerWaalsContact O-N 3.09Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.28Å; G305-G309 WeakPolarHBondContact O-CA 3.35Å; G305-G309 PolarHBondContact O-N 3.42Å
306E90.9Very high90.1Very high20 Ų2026.4 Ų26.49%0.09313%0.132CC..Hα-helixtrans-67.6-44.3172.1-69.5-176.3176.600111.6A257 C302 Y303 V308 A310 G311A257-E306 HydrophobicContact CB-CG 3.72Å; C302-E306 PolarHBondContact O-N 2.9Å; Y303-E306 WeakPolarHBondContact O-CB 3.32Å; Y303-E306 PolarHBondContact O-N 3.2Å; Y303-E306 VanDerWaalsContact O-N 3.16Å; E306-V308 PolarHBondContact O-N 3.23Å; E306-A310 WeakPolarHBondContact O-CA 3.12Å; E306-A310 WeakPolarHBondContact O-CB 3.38Å; E306-A310 PolarHBondContact O-N 3.24Å; E306-G311 PolarHBondContact O-N 3.13Å
307K90.6Very high90Very high7 Ų724.1 Ų24.13%0.0312%0.122CC..Hα-helixtrans-63-41.6-178.9-163.9165.1-168.9165.90112.5W193 Y303 L304 G311 K312 V313 L315 E351W193-K307 HydrophobicContact CH2-CB 4.11Å; W193-K307 HydrophobicContact CH2-CD 4.02Å; W193-K307 HydrophobicContact CH2-CG 3.77Å; W193-K307 HydrophobicContact CZ2-CB 3.92Å; W193-K307 HydrophobicContact CZ2-CG 4.09Å; W193-K307 HydrophobicContact CZ3-CG 4.24Å; Y303-K307 HydrophobicContact CE1-CD 4.18Å; Y303-K307 PolarHBondContact O-N 2.98Å; L304-K307 PolarHBondContact O-N 2.87Å; K307-G311 CarbonylContact O-C 3.42Å; K307-G311 WeakPolarHBondContact O-CA 3.41Å; K307-K312 PolarHBondContact O-N 3.27Å; K307-K312 VanDerWaalsContact O-N 3.17Å; K307-V313 HydrophobicContact CG-CB 4.36Å; K307-V313 PolarHBondContact O-N 3.37Å; K307-V313 VanDerWaalsContact O-N 3.11Å; K307-L315 HydrophobicContact CB-CD2 4.31Å; K307-L315 HydrophobicContact CD-CD2 3.94Å; K307-L315 HydrophobicContact CG-CD2 4.15Å; K307-E351 IonicContact NZ-OE2 2.84Å; K307-E351 PolarHBondContact NZ-OE2 2.97Å
308V92.1Very high89.2Confident0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-81-41.7177.8179.30000111.8I258 L304 E306 K312 L315 V330 M334I258-V308 HydrophobicContact CD1-CB 4.29Å; I258-V308 HydrophobicContact CD1-CG1 4Å; L304-V308 WeakPolarHBondContact O-CG2 3.32Å; L304-V308 PolarHBondContact O-N 3.37Å; E306-V308 PolarHBondContact O-N 3.23Å; V308-K312 VanDerWaalsContact O-CA 3.27Å; V308-K312 WeakPolarHBondContact O-CA 3.43Å; V308-K312 PolarHBondContact O-N 3.01Å; V308-L315 HydrophobicContact CG2-CD1 4.16Å; V308-L315 HydrophobicContact CG2-CD2 3.88Å; V308-L315 HydrophobicContact CG2-CG 3.85Å; V308-V330 HydrophobicContact CG1-CG1 4.06Å; V308-M334 HydrophobicContact CG2-SD 4.48Å
309G89.9Confident88.2Confident2 Ų224.5 Ų24.52%0.02113%0.125CC..Hα-helixtrans-75.8-65.6-176.700000113.5G256 G305 K312 T327G256-G309 CarbonylContact O-C 3.56Å; G256-G309 WeakPolarHBondContact O-CA 3.31Å; G305-G309 WeakPolarHBondContact O-CA 3.35Å; G305-G309 PolarHBondContact O-N 3.42Å; G309-K312 WeakPolarHBondContact O-CG 3.01Å; G309-T327 VanDerWaalsContact O-CG2 3.32Å; G309-T327 WeakPolarHBondContact O-CG2 3.45Å
310A88.1Confident87.1Confident17 Ų1733.6 Ų33.614%0.1416%0.16CC..THydrogen-bonded Turntrans-77.1-47.1-177.200000111.3L254 G256 E306 K312L254-A310 HydrophobicContact CB-CB 4.25Å; G256-A310 PolarHBondContact O-N 3.33Å; E306-A310 WeakPolarHBondContact O-CA 3.12Å; E306-A310 WeakPolarHBondContact O-CB 3.38Å; E306-A310 PolarHBondContact O-N 3.24Å; A310-K312 PolarHBondContact O-N 3.38Å
311G86.1Confident85.9Confident0 Ų034.5 Ų34.50%017%0.169CC..SBendtrans-71.9-26.6179.700000114.2R190 W193 E306 K307 V313R190-G311 WeakPolarHBondContact CA-O 3.42Å; W193-G311 VanDerWaalsContact CG-CA 3.45Å; E306-G311 PolarHBondContact O-N 3.13Å; K307-G311 CarbonylContact O-C 3.42Å; K307-G311 WeakPolarHBondContact O-CA 3.41Å; G311-V313 VanDerWaalsContact O-CG2 3.29Å; G311-V313 WeakPolarHBondContact O-CG2 3.26Å; G311-V313 PolarHBondContact O-N 3.08Å
312K90.4Very high85Confident49 Ų4941.9 Ų41.921%0.21320%0.197CC..  trans5238.6-174.3-54.2173.6-173.7170.20111P189 K307 V308 G309 A310 F324 Y325 T327P189-K312 HydrophobicContact CB-CD 3.89Å; P189-K312 HydrophobicContact CG-CD 4.04Å; K307-K312 PolarHBondContact O-N 3.27Å; K307-K312 VanDerWaalsContact O-N 3.17Å; V308-K312 VanDerWaalsContact O-CA 3.27Å; V308-K312 WeakPolarHBondContact O-CA 3.43Å; V308-K312 PolarHBondContact O-N 3.01Å; G309-K312 WeakPolarHBondContact O-CG 3.01Å; A310-K312 PolarHBondContact O-N 3.38Å; K312-F324 HydrophobicContact CB-CB 4.23Å; K312-F324 WeakPolarHBondContact O-CD2 3.47Å; K312-Y325 VanDerWaalsContact CD-C 3.45Å; K312-Y325 WeakPolarHBondContact CD-O 3.28Å; K312-Y325 WeakPolarHBondContact CE-O 3.4Å; K312-Y325 PolarHBondContact NZ-O 3.47Å; K312-T327 HydrophobicContact CG-CG2 4.47Å
313V88.4Confident84.5Confident4 Ų442.3 Ų42.32%0.02420%0.2CC..  trans-105.8138.6-178.3-175.20000109.4R190 K307 G311R190-V313 HydrophobicContact CB-CG2 4.18Å; R190-V313 HydrophobicContact CG-CG2 3.68Å; K307-V313 HydrophobicContact CG-CB 4.36Å; K307-V313 PolarHBondContact O-N 3.37Å; K307-V313 VanDerWaalsContact O-N 3.11Å; G311-V313 VanDerWaalsContact O-CG2 3.29Å; G311-V313 WeakPolarHBondContact O-CG2 3.26Å; G311-V313 PolarHBondContact O-N 3.08Å
314C91.2Very high84.3Confident3 Ų341.7 Ų41.72%0.0220%0.198CC..  trans-77.9128.6172.1173.10000110W316 C317 F324 V330 M334C314-W316 PolarHBondContact O-N 3.26Å; C314-W316 VanDerWaalsContact O-N 3.11Å; C314-C317 HydrophobicContact CB-CB 4.09Å; C314-C317 PolarHBondContact O-N 3.11Å; C314-F324 HydrophobicContact CB-CE2 4.35Å; C314-V330 HydrophobicContact CB-CG2 4.23Å; C314-M334 HydrophobicContact CB-CG 4.25Å
315L89.6Confident84.1Confident2 Ų247 Ų471%0.0122%0.219CC..THydrogen-bonded Turntrans-61.9-17.1-177.9-59.9180000115.1F265 L304 K307 V308 N318 M334 F343F265-L315 HydrophobicContact CE1-CD1 4.16Å; F265-L315 HydrophobicContact CZ-CD1 4.4Å; L304-L315 HydrophobicContact CD2-CD1 4.18Å; L304-L315 HydrophobicContact CD2-CD2 3.68Å; K307-L315 HydrophobicContact CB-CD2 4.31Å; K307-L315 HydrophobicContact CD-CD2 3.94Å; K307-L315 HydrophobicContact CG-CD2 4.15Å; V308-L315 HydrophobicContact CG2-CD1 4.16Å; V308-L315 HydrophobicContact CG2-CD2 3.88Å; V308-L315 HydrophobicContact CG2-CG 3.85Å; L315-N318 PolarHBondContact O-OD1 3.2Å; L315-M334 HydrophobicContact CB-CE 3.85Å; L315-M334 HydrophobicContact CD1-CE 4.01Å; L315-M334 HydrophobicContact CG-CE 3.74Å; L315-F343 PolarHBondContact O-N 2.98Å
316W88.6Confident84Confident98 Ų9849.3 Ų49.337%0.37124%0.236SC..THydrogen-bonded Turntrans-106.5-33.3-179-169.4-98000113.8C314 N318 H339 K341 L342 F343C314-W316 PolarHBondContact O-N 3.26Å; C314-W316 VanDerWaalsContact O-N 3.11Å; W316-N318 VanDerWaalsContact C-N 3.28Å; W316-N318 PolarHBondContact O-N 3.42Å; W316-H339 HydrophobicContact CB-CB 3.83Å; W316-H339 AromaticContact CD1-CD2 3.91Å; W316-H339 AromaticContact CD1-CE1 3.97Å; W316-H339 AromaticContact CD1-CG 3.99Å; W316-H339 AromaticContact CD1-NE2 3.94Å; W316-H339 HydrophobicContact CG-CB 4.46Å; W316-K341 HydrophobicContact CE3-CB 3.71Å; W316-K341 HydrophobicContact CZ3-CB 3.94Å; W316-L342 WeakPolarHBondContact CZ3-O 3.46Å; W316-F343 HydrophobicContact CD2-CB 4.28Å; W316-F343 HydrophobicContact CD2-CD2 4.19Å; W316-F343 HydrophobicContact CE3-CB 3.75Å; W316-F343 HydrophobicContact CE3-CD2 4.11Å; W316-F343 HydrophobicContact CE3-CG 4.46Å; W316-F343 HydrophobicContact CH2-CD2 4.01Å; W316-F343 HydrophobicContact CZ2-CD2 4.08Å; W316-F343 HydrophobicContact CZ3-CB 4.11Å; W316-F343 HydrophobicContact CZ3-CD2 4.03Å
317C85.4Confident84Confident28 Ų2851 Ų5119%0.18925%0.247CC..THydrogen-bonded Turntrans-77.2-15.7-175.3-72.30000113.6C314 K320 G321 H333 H339C314-C317 HydrophobicContact CB-CB 4.09Å; C314-C317 PolarHBondContact O-N 3.11Å; C317-K320 PolarHBondContact O-N 3.39Å; C317-G321 PolarHBondContact O-N 3.08Å; C317-G321 VanDerWaalsContact O-N 3.11Å; C317-H333 PolarHBondContact SG-NE2 3.44Å; C317-H339 PolarHBondContact SG-CE1 3.21Å; C317-H339 PolarHBondContact SG-ND1 3.05Å
318N72.7Confident84.1Confident32 Ų3258 Ų5817%0.17128%0.28CS..G310 helixtrans36.9-148.6-173.2-68.9-1.1000112.4R190 L315 W316 K320 G321 F343R190-N318 PolarHBondContact NH1-O 3.26Å; R190-N318 PolarHBondContact NH2-O 2.95Å; L315-N318 PolarHBondContact O-OD1 3.2Å; W316-N318 VanDerWaalsContact C-N 3.28Å; W316-N318 PolarHBondContact O-N 3.42Å; N318-K320 PolarHBondContact O-N 3.47Å; N318-K320 VanDerWaalsContact O-N 3.11Å; N318-G321 PolarHBondContact O-N 3.33Å; N318-F343 WeakPolarHBondContact ND2-CD1 3.2Å
319E67.4Low84.2Confident154 Ų15460 Ų6072%0.7230%0.296SS*.G310 helixtrans-56.2-24.5-177-59.4-169.7151.900114.3R190 G321R190-E319 VanDerWaalsContact NH2-N 3.16Å; E319-G321 VanDerWaalsContact C-N 3.26Å; E319-G321 PolarHBondContact O-N 2.91Å
320K67.3Low84.3Confident211 Ų21159.9 Ų59.992%0.91730%0.295SS*.G310 helixtrans-81.8-6.6-179-59.1177.4-174.6171.70112.9C317 N318C317-K320 PolarHBondContact O-N 3.39Å; N318-K320 PolarHBondContact O-N 3.47Å; N318-K320 VanDerWaalsContact O-N 3.11Å
321G66.4Low84.5Confident19 Ų1960.4 Ų60.420%0.19630%0.295CS..SBendtrans-80.8159.1-178.900000115.6R190 C317 N318 E319R190-G321 PolarHBondContact NH1-O 3.19Å; C317-G321 PolarHBondContact O-N 3.08Å; C317-G321 VanDerWaalsContact O-N 3.11Å; N318-G321 PolarHBondContact O-N 3.33Å; E319-G321 VanDerWaalsContact C-N 3.26Å; E319-G321 PolarHBondContact O-N 2.91Å
322R73.3Confident84.9Confident157 Ų15761.7 Ų61.759%0.59231%0.308SS*.PPolyproline II helixtrans-61.3138.9168.2-65.5-172.8-68.8-125.49.4110F324R322-F324 HydrophobicContact CB-CZ 4.25Å; R322-F324 WeakPolarHBondContact O-CD2 3.22Å; R322-F324 VanDerWaalsContact O-CE2 3.25Å; R322-F324 WeakPolarHBondContact O-CE2 3.38Å
323S80.7Confident85Confident52 Ų5259.9 Ų59.936%0.36430%0.3SS..PPolyproline II helixtrans-74.9136.1168.551.20000110.3
324F86.6Confident85.2Confident21 Ų2159.7 Ų59.79%0.09230%0.299CS..  trans-107.1151.1175.2-58-80.2000110.4K312 C314 R322 A329 V330 H333K312-F324 HydrophobicContact CB-CB 4.23Å; K312-F324 WeakPolarHBondContact O-CD2 3.47Å; C314-F324 HydrophobicContact CB-CE2 4.35Å; R322-F324 HydrophobicContact CB-CZ 4.25Å; R322-F324 WeakPolarHBondContact O-CD2 3.22Å; R322-F324 VanDerWaalsContact O-CE2 3.25Å; R322-F324 WeakPolarHBondContact O-CE2 3.38Å; F324-A329 HydrophobicContact CD1-CB 4.06Å; F324-V330 HydrophobicContact CB-CB 4.02Å; F324-V330 HydrophobicContact CD2-CB 3.72Å; F324-V330 HydrophobicContact CD2-CG2 3.78Å; F324-V330 HydrophobicContact CE2-CB 4.39Å; F324-V330 HydrophobicContact CE2-CG2 4.15Å; F324-V330 HydrophobicContact CG-CB 3.86Å; F324-V330 HydrophobicContact CG-CG2 4.42Å; F324-H333 HydrophobicContact CE1-CB 3.71Å; F324-H333 AromaticContact CE1-CG 3.97Å; F324-H333 HydrophobicContact CE2-CB 4.29Å; F324-H333 AromaticContact CE2-CD2 3.57Å; F324-H333 AromaticContact CE2-CG 4Å; F324-H333 HydrophobicContact CZ-CB 3.49Å; F324-H333 VanDerWaalsContact CZ-CB 3.49Å; F324-H333 AromaticContact CZ-CD2 3.3Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.27Å; F324-H333 AromaticContact CZ-ND1 3.89Å; F324-H333 AromaticContact CZ-NE2 3.89Å
325Y87.2Confident85.3Confident110 Ų11062.5 Ų62.543%0.43132%0.316SS..SBendtrans-109.7-11.7-179.3-63.4-83.5000113P188 P189 K312P188-Y325 HydrophobicContact CB-CE1 4.24Å; P189-Y325 HydrophobicContact CG-CD1 4.33Å; K312-Y325 VanDerWaalsContact CD-C 3.45Å; K312-Y325 WeakPolarHBondContact CD-O 3.28Å; K312-Y325 WeakPolarHBondContact CE-O 3.4Å; K312-Y325 PolarHBondContact NZ-O 3.47Å
326S91.9Very high85.4Confident50 Ų5069.3 Ų69.335%0.3535%0.352SS..SBendtrans-131.4153.5172.360.80000111.3A329 V330S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 WeakPolarHBondContact OG-CB 3.47Å; S326-A329 PolarHBondContact OG-N 3.43Å; S326-V330 PolarHBondContact O-N 2.84Å
327T90.8Very high85.5Confident55 Ų5568.9 Ų68.934%0.33735%0.353SS..Hα-helixtrans-64.6-41.6174.947.80000111.3G309 K312 A329 V330 Q331G309-T327 VanDerWaalsContact O-CG2 3.32Å; G309-T327 WeakPolarHBondContact O-CG2 3.45Å; K312-T327 HydrophobicContact CG-CG2 4.47Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.18Å; T327-V330 WeakPolarHBondContact O-CG1 3.45Å; T327-V330 PolarHBondContact O-N 2.78Å; T327-Q331 WeakPolarHBondContact O-CB 3.21Å; T327-Q331 WeakPolarHBondContact O-CG 3.42Å; T327-Q331 PolarHBondContact O-N 2.94Å
328E93.1Very high85.7Confident154 Ų15471.2 Ų71.272%0.7237%0.37SS*.Hα-helixtrans-59.4-38.1175.2-171.4-177.9-175.400112.4Q331 G332E328-Q331 PolarHBondContact O-N 3.02Å; E328-G332 PolarHBondContact O-N 3.21Å
329A92.9Very high86.5Confident41 Ų4171.5 Ų71.534%0.33937%0.37SS..Hα-helixtrans-70-36.7178.800000112.7F324 S326 T327 H333F324-A329 HydrophobicContact CD1-CB 4.06Å; S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 WeakPolarHBondContact OG-CB 3.47Å; S326-A329 PolarHBondContact OG-N 3.43Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.18Å; A329-H333 WeakPolarHBondContact O-CB 3.48Å; A329-H333 PolarHBondContact O-N 3.45Å
330V92.3Very high87.6Confident0 Ų064.4 Ų64.40%034%0.338CS..Hα-helixtrans-72.2-41175.161.60000110.8V308 C314 F324 S326 T327 H333 M334V308-V330 HydrophobicContact CG1-CG1 4.06Å; C314-V330 HydrophobicContact CB-CG2 4.23Å; F324-V330 HydrophobicContact CB-CB 4.02Å; F324-V330 HydrophobicContact CD2-CB 3.72Å; F324-V330 HydrophobicContact CD2-CG2 3.78Å; F324-V330 HydrophobicContact CE2-CB 4.39Å; F324-V330 HydrophobicContact CE2-CG2 4.15Å; F324-V330 HydrophobicContact CG-CB 3.86Å; F324-V330 HydrophobicContact CG-CG2 4.42Å; S326-V330 PolarHBondContact O-N 2.84Å; T327-V330 WeakPolarHBondContact O-CG1 3.45Å; T327-V330 PolarHBondContact O-N 2.78Å; V330-H333 WeakPolarHBondContact O-CB 3.34Å; V330-H333 PolarHBondContact O-N 3Å; V330-M334 HydrophobicContact CG2-CG 4.38Å; V330-M334 HydrophobicContact CG2-SD 3.98Å; V330-M334 WeakPolarHBondContact O-CG 3.3Å; V330-M334 PolarHBondContact O-N 3.47Å
331Q93.3Very high88.6Confident29 Ų2959.1 Ų59.114%0.13632%0.315CS..Hα-helixtrans-61.2-48.4175.7-74.6-178.8-23.900111.7L264 T327 E328 H333 M334 T335L264-Q331 WeakPolarHBondContact O-CG 3.31Å; L264-Q331 PolarHBondContact O-NE2 3.23Å; T327-Q331 WeakPolarHBondContact O-CB 3.21Å; T327-Q331 WeakPolarHBondContact O-CG 3.42Å; T327-Q331 PolarHBondContact O-N 2.94Å; E328-Q331 PolarHBondContact O-N 3.02Å; Q331-H333 VanDerWaalsContact C-N 3.32Å; Q331-H333 PolarHBondContact O-N 3.11Å; Q331-M334 PolarHBondContact O-N 2.92Å; Q331-M334 VanDerWaalsContact O-N 3.08Å; Q331-T335 PolarHBondContact O-N 2.88Å; Q331-T335 PolarHBondContact O-OG1 3.46Å
332G93.1Very high89.7Confident26 Ų2658.6 Ų58.627%0.26831%0.307SS..Hα-helixtrans-60-40.1174.600000112.7E328 M334 T335 D336E328-G332 PolarHBondContact O-N 3.21Å; G332-M334 VanDerWaalsContact C-N 3.34Å; G332-M334 PolarHBondContact O-N 3.23Å; G332-T335 WeakPolarHBondContact CA-OG1 3.49Å; G332-T335 PolarHBondContact O-N 2.84Å; G332-T335 PolarHBondContact O-OG1 2.97Å; G332-D336 WeakPolarHBondContact O-CB 3.49Å; G332-D336 PolarHBondContact O-N 2.94Å
333H92.8Very high90.3Very high12 Ų1253.8 Ų53.86%0.05629%0.291CS..Hα-helixtrans-62.3-40.5173167.366.6000113.1C317 F324 A329 V330 Q331 K337 H339C317-H333 PolarHBondContact SG-NE2 3.44Å; F324-H333 HydrophobicContact CE1-CB 3.71Å; F324-H333 AromaticContact CE1-CG 3.97Å; F324-H333 HydrophobicContact CE2-CB 4.29Å; F324-H333 AromaticContact CE2-CD2 3.57Å; F324-H333 AromaticContact CE2-CG 4Å; F324-H333 HydrophobicContact CZ-CB 3.49Å; F324-H333 VanDerWaalsContact CZ-CB 3.49Å; F324-H333 AromaticContact CZ-CD2 3.3Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.27Å; F324-H333 AromaticContact CZ-ND1 3.89Å; F324-H333 AromaticContact CZ-NE2 3.89Å; A329-H333 WeakPolarHBondContact O-CB 3.48Å; A329-H333 PolarHBondContact O-N 3.45Å; V330-H333 WeakPolarHBondContact O-CB 3.34Å; V330-H333 PolarHBondContact O-N 3Å; Q331-H333 VanDerWaalsContact C-N 3.32Å; Q331-H333 PolarHBondContact O-N 3.11Å; H333-K337 VanDerWaalsContact CE1-CD 3.41Å; H333-K337 WeakPolarHBondContact CE1-CD 3.44Å; H333-K337 VanDerWaalsContact CE1-CE 3.46Å; H333-K337 WeakPolarHBondContact CE1-CE 3.17Å; H333-K337 WeakPolarHBondContact O-CB 3.39Å; H333-K337 PolarHBondContact O-N 3.38Å; H333-K337 VanDerWaalsContact O-N 3.14Å; H333-H339 AromaticContact NE2-ND1 3.7Å
334M92.5Very high90.2Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-68.8-40.8-179.1-70.8175.785.400111.6F265 V308 C314 L315 V330 Q331 G332 S338 H339F265-M334 HydrophobicContact CD1-CB 4.44Å; F265-M334 HydrophobicContact CD1-CE 3.72Å; F265-M334 HydrophobicContact CD1-SD 4.13Å; F265-M334 HydrophobicContact CE1-CE 3.37Å; F265-M334 HydrophobicContact CE1-SD 4.32Å; V308-M334 HydrophobicContact CG2-SD 4.48Å; C314-M334 HydrophobicContact CB-CG 4.25Å; L315-M334 HydrophobicContact CB-CE 3.85Å; L315-M334 HydrophobicContact CD1-CE 4.01Å; L315-M334 HydrophobicContact CG-CE 3.74Å; V330-M334 HydrophobicContact CG2-CG 4.38Å; V330-M334 HydrophobicContact CG2-SD 3.98Å; V330-M334 WeakPolarHBondContact O-CG 3.3Å; V330-M334 PolarHBondContact O-N 3.47Å; Q331-M334 PolarHBondContact O-N 2.92Å; Q331-M334 VanDerWaalsContact O-N 3.08Å; G332-M334 VanDerWaalsContact C-N 3.34Å; G332-M334 PolarHBondContact O-N 3.23Å; M334-S338 CarbonylContact O-C 3.07Å; M334-S338 VanDerWaalsContact O-CA 3.27Å; M334-S338 WeakPolarHBondContact O-CA 3.02Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-H339 WeakPolarHBondContact CE-O 3.45Å; M334-H339 HydrophobicContact CG-CB 4.48Å; M334-H339 PolarHBondContact O-N 3.49Å
335T92.9Very high90Very high61 Ų6157.8 Ų57.837%0.37431%0.311SS..Hα-helixtrans-71.1-48176.253.30000111.9Q331 G332 K337 S338Q331-T335 PolarHBondContact O-N 2.88Å; Q331-T335 PolarHBondContact O-OG1 3.46Å; G332-T335 WeakPolarHBondContact CA-OG1 3.49Å; G332-T335 PolarHBondContact O-N 2.84Å; G332-T335 PolarHBondContact O-OG1 2.97Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.29Å; T335-S338 PolarHBondContact O-N 3.26Å
336D92.9Very high89.6Confident145 Ų14555 Ų5578%0.77532%0.316SS*.Hα-helixtrans-62.2-34.3-177.9-72.2-17000112.9G332G332-D336 WeakPolarHBondContact O-CB 3.49Å; G332-D336 PolarHBondContact O-N 2.94Å
337K90.2Very high88.6Confident89 Ų8959.2 Ų59.239%0.38733%0.334SS..THydrogen-bonded Turntrans-99.90.7179-62.6-156.8-171.7-177.60114.1H333 T335 H339H333-K337 VanDerWaalsContact CE1-CD 3.41Å; H333-K337 WeakPolarHBondContact CE1-CD 3.44Å; H333-K337 VanDerWaalsContact CE1-CE 3.46Å; H333-K337 WeakPolarHBondContact CE1-CE 3.17Å; H333-K337 WeakPolarHBondContact O-CB 3.39Å; H333-K337 PolarHBondContact O-N 3.38Å; H333-K337 VanDerWaalsContact O-N 3.14Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.29Å; K337-H339 PolarHBondContact O-CD2 3.33Å; K337-H339 PolarHBondContact O-N 2.89Å
338S88.9Confident87.8Confident78 Ų7857 Ų5755%0.54532%0.321SS..THydrogen-bonded Turntrans54.333.3-171.768.30000114.2M334 T335 C340M334-S338 CarbonylContact O-C 3.07Å; M334-S338 VanDerWaalsContact O-CA 3.27Å; M334-S338 WeakPolarHBondContact O-CA 3.02Å; M334-S338 PolarHBondContact O-N 2.9Å; T335-S338 PolarHBondContact O-N 3.26Å; S338-C340 PolarHBondContact O-N 3.17Å
339H91Very high87Confident38 Ų3852.4 Ų52.418%0.17631%0.306CS..  trans-85.231.3174.9-71.4-167.4000112W316 C317 H333 M334 K337 K341W316-H339 HydrophobicContact CB-CB 3.83Å; W316-H339 AromaticContact CD1-CD2 3.91Å; W316-H339 AromaticContact CD1-CE1 3.97Å; W316-H339 AromaticContact CD1-CG 3.99Å; W316-H339 AromaticContact CD1-NE2 3.94Å; W316-H339 HydrophobicContact CG-CB 4.46Å; C317-H339 PolarHBondContact SG-CE1 3.21Å; C317-H339 PolarHBondContact SG-ND1 3.05Å; H333-H339 AromaticContact NE2-ND1 3.7Å; M334-H339 WeakPolarHBondContact CE-O 3.45Å; M334-H339 HydrophobicContact CG-CB 4.48Å; M334-H339 PolarHBondContact O-N 3.49Å; K337-H339 PolarHBondContact O-CD2 3.33Å; K337-H339 PolarHBondContact O-N 2.89Å; H339-K341 PolarHBondContact O-N 3.41Å
340C89.6Confident86.4Confident5 Ų556.3 Ų56.33%0.03432%0.321CS..  trans-86.344.3174.1-61.20000110.8F265 H284 F286 S338F265-C340 HydrophobicContact CD1-CB 4.06Å; F265-C340 HydrophobicContact CD2-CB 4.21Å; F265-C340 HydrophobicContact CE1-CB 4.02Å; F265-C340 HydrophobicContact CE2-CB 4.15Å; F265-C340 HydrophobicContact CG-CB 4.16Å; F265-C340 HydrophobicContact CZ-CB 4.06Å; H284-C340 HydrophobicContact CB-CB 4.12Å; H284-C340 WeakPolarHBondContact O-CB 3.42Å; F286-C340 WeakPolarHBondContact CA-O 3.49Å; F286-C340 WeakPolarHBondContact CD2-O 3.49Å; S338-C340 PolarHBondContact O-N 3.17Å
341K89.4Confident85.9Confident100 Ų10059.7 Ų59.744%0.43534%0.337SS..SBendtrans-132.1148.3-179.3-58.5-179.3-165.3-1770108.8W316 H339W316-K341 HydrophobicContact CE3-CB 3.71Å; W316-K341 HydrophobicContact CZ3-CB 3.94Å; H339-K341 PolarHBondContact O-N 3.41Å
342L88.5Confident85.5Confident8 Ų858.7 Ų58.74%0.04233%0.332CS..  trans-81.8127.2174-166.865.1000109F286 L304 W316 T344 F352F286-L342 HydrophobicContact CE2-CB 4.4Å; L304-L342 HydrophobicContact CD1-CD1 4.4Å; L304-L342 HydrophobicContact CD2-CD1 3.59Å; W316-L342 WeakPolarHBondContact CZ3-O 3.46Å; L342-T344 HydrophobicContact CD2-CG2 3.98Å; L342-T344 HydrophobicContact CG-CG2 4.05Å; L342-F352 HydrophobicContact CD1-CE1 4.05Å; L342-F352 HydrophobicContact CD1-CE2 3.96Å; L342-F352 HydrophobicContact CD1-CZ 3.53Å; L342-F352 HydrophobicContact CD2-CD2 4.44Å; L342-F352 HydrophobicContact CD2-CE2 4.33Å; L342-F352 HydrophobicContact CD2-CZ 4.47Å; L342-F352 HydrophobicContact CG-CE2 4.14Å; L342-F352 HydrophobicContact CG-CZ 4.22Å
343F85.6Confident85Confident55 Ų5559.5 Ų59.524%0.24134%0.336CS..  trans-87.5112.6173.9-176.6-93.3000109.3L315 W316 N318 D345 A348L315-F343 PolarHBondContact O-N 2.98Å; W316-F343 HydrophobicContact CD2-CB 4.28Å; W316-F343 HydrophobicContact CD2-CD2 4.19Å; W316-F343 HydrophobicContact CE3-CB 3.75Å; W316-F343 HydrophobicContact CE3-CD2 4.11Å; W316-F343 HydrophobicContact CE3-CG 4.46Å; W316-F343 HydrophobicContact CH2-CD2 4.01Å; W316-F343 HydrophobicContact CZ2-CD2 4.08Å; W316-F343 HydrophobicContact CZ3-CB 4.11Å; W316-F343 HydrophobicContact CZ3-CD2 4.03Å; N318-F343 WeakPolarHBondContact ND2-CD1 3.2Å; F343-D345 HydrophobicContact CE1-CB 4.09Å; F343-D345 WeakPolarHBondContact CE1-O 3.47Å; F343-D345 HydrophobicContact CE2-CB 4.02Å; F343-D345 HydrophobicContact CZ-CB 3.68Å; F343-A348 HydrophobicContact CD1-CB 3.7Å; F343-A348 HydrophobicContact CE1-CB 4.14Å; F343-A348 WeakPolarHBondContact O-CB 3.34Å
344T79.9Confident84.6Confident50 Ų5065.8 Ų65.831%0.30737%0.37SS..  trans-114.510.3-177.5530000113.2P289 L342 S349P289-T344 HydrophobicContact CG-CG2 3.78Å; L342-T344 HydrophobicContact CD2-CG2 3.98Å; L342-T344 HydrophobicContact CG-CG2 4.05Å; T344-S349 WeakPolarHBondContact O-CB 3.34Å
345D80.5Confident84.4Confident107 Ų10767.5 Ų67.557%0.57238%0.377SS*.SBendtrans-85.3134.4179.1-67.9-25.8000111.1F343F343-D345 HydrophobicContact CE1-CB 4.09Å; F343-D345 WeakPolarHBondContact CE1-O 3.47Å; F343-D345 HydrophobicContact CE2-CB 4.02Å; F343-D345 HydrophobicContact CZ-CB 3.68Å
346G79.4Confident84Confident52 Ų5265.9 Ų65.954%0.53637%0.365SS..G310 helixtrans68-144.5175.200000113.3A348 S349G346-A348 PolarHBondContact O-N 3.33Å; G346-S349 PolarHBondContact O-N 3.37Å; G346-S349 PolarHBondContact O-OG 3.33Å
347D71.3Confident83.3Confident139 Ų13961 Ų6174%0.74334%0.339SS*.G310 helixtrans-57.7-20.3-172.4-55.9-12000114.5S349 L350D347-S349 VanDerWaalsContact C-N 3.27Å; D347-S349 PolarHBondContact O-N 2.97Å; D347-L350 PolarHBondContact O-N 2.93Å
348A73.2Confident82.7Confident7 Ų760.6 Ų60.66%0.05834%0.337CS..G310 helixtrans-69-21.7176.400000113.5F343 G346 L350 F352F343-A348 HydrophobicContact CD1-CB 3.7Å; F343-A348 HydrophobicContact CE1-CB 4.14Å; F343-A348 WeakPolarHBondContact O-CB 3.34Å; G346-A348 PolarHBondContact O-N 3.33Å; A348-L350 VanDerWaalsContact C-N 3.3Å; A348-F352 WeakPolarHBondContact O-CD2 3.4Å; A348-F352 WeakPolarHBondContact O-CE2 3.27Å
349S76.2Confident81.8Confident59 Ų5965.7 Ų65.741%0.41334%0.344SS..G310 helixtrans-68.8-31.9175.464.60000112.2T344 G346 D347 E351 F352 A353T344-S349 WeakPolarHBondContact O-CB 3.34Å; G346-S349 PolarHBondContact O-N 3.37Å; G346-S349 PolarHBondContact O-OG 3.33Å; D347-S349 VanDerWaalsContact C-N 3.27Å; D347-S349 PolarHBondContact O-N 2.97Å; S349-E351 VanDerWaalsContact C-N 3.32Å; S349-E351 PolarHBondContact O-N 3.27Å; S349-F352 PolarHBondContact O-N 2.86Å; S349-A353 PolarHBondContact O-N 3.13Å
350L81.7Confident80.4Confident122 Ų12269 Ų6964%0.63937%0.367SS*.G310 helixtrans-65.1-36.1179.7-73.3153.1000111.4D347 A348 F352 A353D347-L350 PolarHBondContact O-N 2.93Å; A348-L350 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 3.48Å; L350-F352 VanDerWaalsContact O-N 3.11Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.47Å; L350-A353 VanDerWaalsContact O-N 3.15Å
351E82.1Confident79Confident72 Ų7271.2 Ų71.234%0.33638%0.383SS..G310 helixtrans-60.8-21.5176.7-63.3-178.8-172.400113.5K307 S349K307-E351 IonicContact NZ-OE2 2.84Å; K307-E351 PolarHBondContact NZ-OE2 2.97Å; S349-E351 VanDerWaalsContact C-N 3.32Å; S349-E351 PolarHBondContact O-N 3.27Å
352F83.7Confident77.6Confident8 Ų873.8 Ų73.84%0.03539%0.391CS..G310 helixtrans-107.6-0.9-178.6-52-65.3000112.9L300 Y303 L304 L342 A348 S349 L350 D354 F355 Y356L300-F352 HydrophobicContact CD1-CD1 3.83Å; Y303-F352 HydrophobicContact CD1-CD1 4.34Å; Y303-F352 HydrophobicContact CD1-CE1 4.06Å; Y303-F352 HydrophobicContact CE1-CD1 4.17Å; Y303-F352 AromaticContact CE1-CE1 3.72Å; Y303-F352 HydrophobicContact CE1-CE1 3.72Å; L304-F352 HydrophobicContact CD2-CE1 3.94Å; L304-F352 HydrophobicContact CD2-CZ 4.45Å; L342-F352 HydrophobicContact CD1-CE1 4.05Å; L342-F352 HydrophobicContact CD1-CE2 3.96Å; L342-F352 HydrophobicContact CD1-CZ 3.53Å; L342-F352 HydrophobicContact CD2-CD2 4.44Å; L342-F352 HydrophobicContact CD2-CE2 4.33Å; L342-F352 HydrophobicContact CD2-CZ 4.47Å; L342-F352 HydrophobicContact CG-CE2 4.14Å; L342-F352 HydrophobicContact CG-CZ 4.22Å; A348-F352 WeakPolarHBondContact O-CD2 3.4Å; A348-F352 WeakPolarHBondContact O-CE2 3.27Å; S349-F352 PolarHBondContact O-N 2.86Å; L350-F352 PolarHBondContact O-N 3.48Å; L350-F352 VanDerWaalsContact O-N 3.11Å; F352-D354 VanDerWaalsContact C-N 3.27Å; F352-D354 PolarHBondContact O-N 3.45Å; F352-F355 PolarHBondContact O-N 3.25Å; F352-F355 VanDerWaalsContact O-N 3.11Å; F352-Y356 HydrophobicContact CB-CE2 4.33Å; F352-Y356 WeakPolarHBondContact O-CD2 3.47Å
353A83.8Confident76Confident43 Ų4379.1 Ų79.136%0.35543%0.426SS..G310 helixtrans-57-39.7-171.800000112.3S349 L350 F355 Y356S349-A353 PolarHBondContact O-N 3.13Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.47Å; L350-A353 VanDerWaalsContact O-N 3.15Å; A353-F355 PolarHBondContact O-N 3.25Å; A353-Y356 PolarHBondContact O-N 3.15Å
354D84.5Confident74.6Confident143 Ų14382.5 Ų82.577%0.76545%0.447SS*.G310 helixtrans-60.6-19.8-178.4-51.5-23.2000114F352F352-D354 VanDerWaalsContact C-N 3.27Å; F352-D354 PolarHBondContact O-N 3.45Å
355F86.6Confident73.3Confident36 Ų3684.9 Ų84.916%0.15845%0.454CS..G310 helixtrans-91.8-11.5179.2-55.8-72.6000113.6L294 I295 N296 L300 Y303 F352 A353L294-F355 HydrophobicContact CD1-CB 4.24Å; I295-F355 PolarHBondContact N-O 2.87Å; N296-F355 HydrophobicContact CB-CD1 4.44Å; L300-F355 HydrophobicContact CB-CB 4.28Å; L300-F355 HydrophobicContact CB-CD1 4.29Å; L300-F355 HydrophobicContact CB-CG 4.11Å; L300-F355 HydrophobicContact CD1-CB 4.46Å; L300-F355 HydrophobicContact CD1-CD2 3.83Å; L300-F355 HydrophobicContact CD1-CE2 4.36Å; L300-F355 HydrophobicContact CD1-CG 4.2Å; Y303-F355 HydrophobicContact CD1-CE2 4.43Å; Y303-F355 HydrophobicContact CG-CE2 4.31Å; Y303-F355 HydrophobicContact CG-CZ 4.28Å; F352-F355 PolarHBondContact O-N 3.25Å; F352-F355 VanDerWaalsContact O-N 3.11Å; A353-F355 PolarHBondContact O-N 3.25Å
356Y85.3Confident71.5Confident27 Ų2788.4 Ų88.411%0.10646%0.464CS..BIsolated β-bridgetrans-116.6140.9-176.8-70.5-97.9000111.1P289 D290 F293 L294 L300 F352 A353 F358P289-Y356 WeakPolarHBondContact O-CE1 3.46Å; P289-Y356 PolarHBondContact O-OH 3.47Å; D290-Y356 HydrophobicContact CB-CE1 4.26Å; F293-Y356 HydrophobicContact CB-CD1 4.38Å; F293-Y356 CarbonylContact O-C 3.35Å; F293-Y356 WeakPolarHBondContact O-CA 3.37Å; L294-Y356 HydrophobicContact CB-CD1 4.27Å; L294-Y356 HydrophobicContact CB-CE1 4.05Å; L294-Y356 HydrophobicContact CD1-CD1 4.06Å; L294-Y356 HydrophobicContact CD1-CD2 4Å; L294-Y356 HydrophobicContact CD1-CE1 3.67Å; L294-Y356 HydrophobicContact CD1-CE2 3.61Å; L294-Y356 HydrophobicContact CD1-CG 4.21Å; L294-Y356 VanDerWaalsContact CD1-CZ 3.44Å; L294-Y356 HydrophobicContact CG-CE1 4.47Å; L300-Y356 HydrophobicContact CD2-CE2 4.27Å; F352-Y356 HydrophobicContact CB-CE2 4.33Å; F352-Y356 WeakPolarHBondContact O-CD2 3.47Å; A353-Y356 PolarHBondContact O-N 3.15Å; Y356-F358 VanDerWaalsContact CB-CE2 3.48Å; Y356-F358 AromaticContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CG-CE2 4.16Å; Y356-F358 HydrophobicContact CG-CZ 4.02Å
357D79.1Confident69.6Low44 Ų4495.9 Ų95.924%0.23549%0.485CS..  trans-119102171.7-179.513.9000110.7F293 I295 R359F293-D357 PolarHBondContact O-N 3.22Å; I295-D357 HydrophobicContact CD1-CB 3.22Å; I295-D357 HydrophobicContact CG1-CB 3.71Å; D357-R359 VanDerWaalsContact C-N 3.33Å; D357-R359 WeakPolarHBondContact OD1-CB 3.32Å; D357-R359 WeakPolarHBondContact OD1-CD 2.94Å; D357-R359 WeakPolarHBondContact OD1-CG 3.43Å; D357-R359 PolarHBondContact OD1-N 3.43Å
358F76.3Confident68.6Low79 Ų7992.9 Ų92.935%0.34649%0.487SS..  trans-87.20.8177-61.3-75.1000113.1D290 F293 Y356 T360 S361 Y362D290-F358 HydrophobicContact CB-CE1 4.43Å; F293-F358 HydrophobicContact CB-CD1 4.05Å; F293-F358 HydrophobicContact CB-CE1 4.09Å; F293-F358 AromaticContact CD2-CD1 3.93Å; F293-F358 HydrophobicContact CD2-CD1 3.93Å; F293-F358 AromaticContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CG-CD1 4.03Å; F293-F358 HydrophobicContact CG-CE1 4.28Å; Y356-F358 VanDerWaalsContact CB-CE2 3.48Å; Y356-F358 AromaticContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CG-CE2 4.16Å; Y356-F358 HydrophobicContact CG-CZ 4.02Å; F358-T360 PolarHBondContact O-N 3.01Å; F358-S361 VanDerWaalsContact O-CB 3.31Å; F358-S361 WeakPolarHBondContact O-CB 3.4Å; F358-S361 PolarHBondContact O-N 3.38Å; F358-Y362 HydrophobicContact CB-CE2 4.26Å; F358-Y362 VanDerWaalsContact O-CD2 3.22Å; F358-Y362 WeakPolarHBondContact O-CD2 3.47Å
359R69.6Low67.1Low186 Ų18698.1 Ų98.170%0.70251%0.514SS*.G310 helixtrans-56.1-36.3179.9-68170.1175.5-169.3-3111.5D357 S361 Y362D357-R359 VanDerWaalsContact C-N 3.33Å; D357-R359 WeakPolarHBondContact OD1-CB 3.32Å; D357-R359 WeakPolarHBondContact OD1-CD 2.94Å; D357-R359 WeakPolarHBondContact OD1-CG 3.43Å; D357-R359 PolarHBondContact OD1-N 3.43Å; R359-S361 PolarHBondContact O-N 2.99Å; R359-Y362 PolarHBondContact O-N 3.49Å
360T61.5Low65.5Low107 Ų107102.6 Ų102.666%0.65653%0.534SS*.G310 helixtrans-69.4-15.6177540000114.7F293 F358F293-T360 WeakPolarHBondContact CD1-OG1 3.21Å; F358-T360 PolarHBondContact O-N 3.01Å
361S60.7Low63.8Low51 Ų51101.4 Ų101.436%0.35753%0.531SS..G310 helixtrans-85.6-14.3178.5-64.50000113.8F293 F358 R359 P363F293-S361 WeakPolarHBondContact CD1-OG 3.36Å; F293-S361 WeakPolarHBondContact CE1-OG 3.38Å; F293-S361 WeakPolarHBondContact CE2-OG 3.26Å; F293-S361 WeakPolarHBondContact CZ-OG 3.44Å; F358-S361 VanDerWaalsContact O-CB 3.31Å; F358-S361 WeakPolarHBondContact O-CB 3.4Å; F358-S361 PolarHBondContact O-N 3.38Å; R359-S361 PolarHBondContact O-N 2.99Å; S361-P363 WeakPolarHBondContact O-CD 2.97Å
362Y60.5Low61.9Low155 Ų155106.4 Ų106.461%0.60855%0.554SS**  trans-92.2105.6-179.8-67.5-78.9000109.6F358 R359 D364 Q365F358-Y362 HydrophobicContact CB-CE2 4.26Å; F358-Y362 VanDerWaalsContact O-CD2 3.22Å; F358-Y362 WeakPolarHBondContact O-CD2 3.47Å; R359-Y362 PolarHBondContact O-N 3.49Å; Y362-D364 PolarHBondContact O-N 3.26Å; Y362-Q365 PolarHBondContact O-N 3.01Å
363P54.8Low60Low119 Ų119115 Ų11577%0.77360%0.597SS**THydrogen-bonded Turntrans-67.9-1.4-176.127.5-35.4000114.5S361S361-P363 WeakPolarHBondContact O-CD 2.97Å
364D55.3Low57.7Low127 Ų127120.3 Ų120.368%0.67962%0.615SS**THydrogen-bonded Turntrans-103.12.4-176.4-69.1-29.7000113Y362 K382Y362-D364 PolarHBondContact O-N 3.26Å; D364-K382 IonicContact OD1-NZ 3.18Å; D364-K382 PolarHBondContact OD1-NZ 3.43Å; D364-K382 IonicContact OD2-NZ 3.9Å; D364-K382 PolarHBondContact OD2-NZ 3.48Å; D364-K382 VanDerWaalsContact OD2-NZ 3.16Å
365Q52.5Low55.7Low99 Ų99121.6 Ų121.646%0.46362%0.622SS.*  trans-88.3111.7178.1-159.5120.732.700111.6Y362Y362-Q365 PolarHBondContact O-N 3.01Å
366K44Very low53.6Low181 Ų181127.4 Ų127.479%0.78765%0.649SS**  trans-80.5141.1167.4-68.2175.7-176.81670108.9G368K366-G368 PolarHBondContact O-N 3.39Å
367E40Very low51.9Low210 Ų210135.1 Ų135.198%0.98169%0.686SS**THydrogen-bonded Turntrans-58.5122.2173.9-71.4175162.400110.1
368G50.1Low50.4Low76 Ų76140.7 Ų140.778%0.78472%0.715SS**THydrogen-bonded Turntrans113.113.6172.700000117.2K366K366-G368 PolarHBondContact O-N 3.39Å
369D40.7Very low48.9Very low117 Ų117142.6 Ų142.663%0.62674%0.736SS**  trans-10294.7173.3-150.428.3000109.4V371D369-V371 PolarHBondContact O-N 2.85Å; D369-V371 VanDerWaalsContact O-N 3.13Å
370D43.4Very low48.1Very low153 Ų153140.2 Ų140.282%0.81874%0.737SS**  trans-72.396.5169.9-62.9-34.6000107.1E372D370-E372 VanDerWaalsContact C-N 3.33Å; D370-E372 PolarHBondContact O-N 3.36Å
371V44.3Very low47.8Very low97 Ų97137.7 Ų137.759%0.58873%0.732SS**  trans-75.988.9-177.2-171.50000108.9D369 M373D369-V371 PolarHBondContact O-N 2.85Å; D369-V371 VanDerWaalsContact O-N 3.13Å; V371-M373 PolarHBondContact O-N 3.38Å
372E43.9Very low47.6Very low176 Ų176141.2 Ų141.282%0.82274%0.741SS**  trans-53.8129.9147.2-73.5-172.3172.900107.3D370 E374D370-E372 VanDerWaalsContact C-N 3.33Å; D370-E372 PolarHBondContact O-N 3.36Å; E372-E374 PolarHBondContact O-N 2.82Å
373M42.8Very low47.7Very low190 Ų190137.6 Ų137.694%0.93673%0.732SS**  trans-6971.7179.4-73.1-97.5-73.200110.1V371V371-M373 PolarHBondContact O-N 3.38Å
374E36.3Very low48.2Very low154 Ų154136.8 Ų136.872%0.7272%0.72SS**  trans-82.9129.3164.2-157.1165.1-156.100108E372 E376E372-E374 PolarHBondContact O-N 2.82Å; E374-E376 HydrophobicContact CG-CG 4.25Å; E374-E376 PolarHBondContact O-N 3.47Å
375D41.6Very low49.2Very low170 Ų170135.2 Ų135.291%0.90971%0.711SS**  trans-68.843.8-178-16120.6000111.4E377D375-E377 PolarHBondContact O-N 3.02Å
376E43.2Very low50.4Low157 Ų157136.1 Ų136.173%0.73471%0.712SS**  trans-80119.9178.1-74.2-142.4145.300110E374 L378E374-E376 HydrophobicContact CG-CG 4.25Å; E374-E376 PolarHBondContact O-N 3.47Å; E376-L378 PolarHBondContact O-N 3.44Å
377E49.1Very low52Low189 Ų189130.9 Ų130.988%0.88369%0.692SS**  trans-41.7112174.8-66.3177.814600111.4D375D375-E377 PolarHBondContact O-N 3.02Å
378L47.7Very low53.7Low162 Ų162126.5 Ų126.585%0.84868%0.675SS**  trans-38.2127.1172.7-78.9154.8000111.3E376 D380E376-L378 PolarHBondContact O-N 3.44Å; L378-D380 PolarHBondContact O-N 3.47Å
379P45.5Very low55.1Low119 Ų119130.4 Ų130.477%0.77368%0.678SS**  trans-57.1126176.5-21.330.3000110.3G381P379-G381 PolarHBondContact O-N 2.99Å
380D52.5Low56.8Low136 Ų136127.5 Ų127.573%0.72767%0.665SS**  trans-67.530.7-179.4-157.817.1000113.6L378 K382 N383L378-D380 PolarHBondContact O-N 3.47Å; D380-K382 PolarHBondContact O-N 3.42Å; D380-N383 VanDerWaalsContact CG-ND2 3.27Å; D380-N383 PolarHBondContact OD1-ND2 2.91Å; D380-N383 PolarHBondContact OD2-ND2 2.98Å
381G54.6Low58.7Low54 Ų54122.6 Ų122.656%0.55764%0.639SS**THydrogen-bonded Turntrans-98.468.6-164.200000113.6P379P379-G381 PolarHBondContact O-N 2.99Å
382K56.7Low60.8Low125 Ų125120.5 Ų120.554%0.54362%0.622SS.*THydrogen-bonded Turntrans158.565.2151.5-84.2151.7-159.6161.30107.3D364 D380 I384 P396D364-K382 IonicContact OD1-NZ 3.18Å; D364-K382 PolarHBondContact OD1-NZ 3.43Å; D364-K382 IonicContact OD2-NZ 3.9Å; D364-K382 PolarHBondContact OD2-NZ 3.48Å; D364-K382 VanDerWaalsContact OD2-NZ 3.16Å; D380-K382 PolarHBondContact O-N 3.42Å; K382-I384 PolarHBondContact O-N 3.25Å; K382-P396 HydrophobicContact CB-CB 4.01Å; K382-P396 HydrophobicContact CB-CG 3.78Å; K382-P396 HydrophobicContact CG-CB 4.1Å; K382-P396 HydrophobicContact CG-CG 4.39Å
383N61.6Low62.9Low79 Ų79114.4 Ų114.442%0.42260%0.595SS.*  trans-56.7110-174.3-109.1-67.6000111.3D380 D385D380-N383 VanDerWaalsContact CG-ND2 3.27Å; D380-N383 PolarHBondContact OD1-ND2 2.91Å; D380-N383 PolarHBondContact OD2-ND2 2.98Å; N383-D385 PolarHBondContact O-N 3Å
384I67.3Low65Low102 Ų102107.2 Ų107.252%0.52356%0.562SS.*  trans-72.988.8162.4-68171000104.8K382 Y386 L393 P396K382-I384 PolarHBondContact O-N 3.25Å; I384-Y386 PolarHBondContact O-N 3.11Å; I384-L393 HydrophobicContact CG2-CD1 3.21Å; I384-L393 HydrophobicContact CG2-CD2 4.33Å; I384-L393 HydrophobicContact CG2-CG 4.06Å; I384-P396 HydrophobicContact CG1-CG 4.22Å
385D74.9Confident67.3Low93 Ų93102.7 Ų102.750%0.49754%0.542SS..EExtended strand (participates in β ladder)trans-76.3115.2-179.8-69.1-39.3000109N383 T394N383-D385 PolarHBondContact O-N 3Å; D385-T394 WeakPolarHBondContact CB-OG1 3.42Å; D385-T394 PolarHBondContact N-O 2.93Å; D385-T394 PolarHBondContact O-N 3.36Å; D385-T394 PolarHBondContact O-OG1 3.15Å
386Y77.4Confident69.1Low119 Ų11998.2 Ų98.247%0.46752%0.522SS..EExtended strand (participates in β ladder)trans-99.5114.3170-177.7-99000109.1I384 D388 L391 L393I384-Y386 PolarHBondContact O-N 3.11Å; Y386-D388 HydrophobicContact CD1-CB 4.4Å; Y386-D388 HydrophobicContact CE1-CB 4.12Å; Y386-D388 WeakPolarHBondContact CE1-OD1 3.49Å; Y386-D388 PolarHBondContact O-N 2.92Å; Y386-L391 WeakPolarHBondContact OH-CD2 3.36Å; Y386-L393 HydrophobicContact CD2-CB 4.35Å; Y386-L393 HydrophobicContact CD2-CD1 4.13Å
387D79.3Confident70.9Confident70 Ų7095.4 Ų95.437%0.37452%0.52SS..EExtended strand (participates in β ladder)trans-89.6103.9175.2-179.1-8.7000109D389 T390 L391 E392D387-D389 PolarHBondContact O-N 3.03Å; D387-D389 WeakPolarHBondContact OD1-CB 3.35Å; D387-D389 PolarHBondContact OD1-N 2.95Å; D387-T390 VanDerWaalsContact CB-OG1 3.27Å; D387-T390 WeakPolarHBondContact CB-OG1 3.45Å; D387-T390 PolarHBondContact O-N 3.39Å; D387-T390 PolarHBondContact OD1-N 3.1Å; D387-T390 WeakPolarHBondContact OD2-CB 3.46Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.39Å; D387-T390 PolarHBondContact OD2-OG1 2.94Å; D387-L391 WeakPolarHBondContact O-CA 3.44Å; D387-L391 PolarHBondContact O-N 2.95Å; D387-E392 PolarHBondContact N-O 3.34Å; D387-E392 PolarHBondContact O-N 2.88Å
388D75.2Confident72.3Confident118 Ų11889.3 Ų89.363%0.63151%0.509SS*.THydrogen-bonded Turntrans-66.4-24-177.4-155.223.9000112.3Y386Y386-D388 HydrophobicContact CD1-CB 4.4Å; Y386-D388 HydrophobicContact CE1-CB 4.12Å; Y386-D388 WeakPolarHBondContact CE1-OD1 3.49Å; Y386-D388 PolarHBondContact O-N 2.92Å
389D78.7Confident74.2Confident158 Ų15883.8 Ų83.885%0.84549%0.486SS*.THydrogen-bonded Turntrans-79.7-40.8178.4-73.2-29.3000111.7D387D387-D389 PolarHBondContact O-N 3.03Å; D387-D389 WeakPolarHBondContact OD1-CB 3.35Å; D387-D389 PolarHBondContact OD1-N 2.95Å
390T76.7Confident76.3Confident56 Ų5685 Ų8534%0.34448%0.479SS..THydrogen-bonded Turntrans-91.1-10.4179.563.40000113.5D387 E392D387-T390 VanDerWaalsContact CB-OG1 3.27Å; D387-T390 WeakPolarHBondContact CB-OG1 3.45Å; D387-T390 PolarHBondContact O-N 3.39Å; D387-T390 PolarHBondContact OD1-N 3.1Å; D387-T390 WeakPolarHBondContact OD2-CB 3.46Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.39Å; D387-T390 PolarHBondContact OD2-OG1 2.94Å; T390-E392 PolarHBondContact O-N 3.46Å
391L83.7Confident78Confident51 Ų5182.6 Ų82.627%0.26747%0.465SS..THydrogen-bonded Turntrans52.237.3-173.4-57169.4000111.1Y386 D387 H403 L406Y386-L391 WeakPolarHBondContact OH-CD2 3.36Å; D387-L391 WeakPolarHBondContact O-CA 3.44Å; D387-L391 PolarHBondContact O-N 2.95Å; L391-H403 HydrophobicContact CB-CB 3.83Å; L391-H403 VanDerWaalsContact O-CB 3.31Å; L391-H403 WeakPolarHBondContact O-CB 3.27Å; L391-H403 PolarHBondContact O-N 3.05Å; L391-L406 HydrophobicContact CB-CD1 4.08Å; L391-L406 HydrophobicContact CD1-CD1 4.34Å
392E87.3Confident79.7Confident53 Ų5381.6 Ų81.625%0.24846%0.456CS..EExtended strand (participates in β ladder)trans-112.3139177.4-65.5-176.1176.800109.8D387 T390 K400D387-E392 PolarHBondContact N-O 3.34Å; D387-E392 PolarHBondContact O-N 2.88Å; T390-E392 PolarHBondContact O-N 3.46Å; E392-K400 IonicContact OE2-NZ 3.16Å; E392-K400 PolarHBondContact OE2-NZ 3.42Å
393L89Confident81.3Confident47 Ų4778.8 Ų78.825%0.24644%0.444CS..EExtended strand (participates in β ladder)trans-108.6120.1173.5-178.665.5000109.1I384 Y386 K400 I401I384-L393 HydrophobicContact CG2-CD1 3.21Å; I384-L393 HydrophobicContact CG2-CD2 4.33Å; I384-L393 HydrophobicContact CG2-CG 4.06Å; Y386-L393 HydrophobicContact CD2-CB 4.35Å; Y386-L393 HydrophobicContact CD2-CD1 4.13Å; L393-K400 CarbonylContact O-C 3.58Å; L393-K400 WeakPolarHBondContact O-CA 3.36Å; L393-I401 HydrophobicContact CB-CB 4.28Å; L393-I401 PolarHBondContact N-O 3.29Å; L393-I401 PolarHBondContact O-N 2.99Å
394T85.8Confident82.6Confident40 Ų4084.8 Ų84.825%0.24546%0.461CS..EExtended strand (participates in β ladder)trans-95.8117.5172.730.30000110D385 K400D385-T394 WeakPolarHBondContact CB-OG1 3.42Å; D385-T394 PolarHBondContact N-O 2.93Å; D385-T394 PolarHBondContact O-N 3.36Å; D385-T394 PolarHBondContact O-OG1 3.15Å; T394-K400 HydrophobicContact CG2-CD 4.35Å; T394-K400 HydrophobicContact CG2-CG 3.74Å
395L85.4Confident83.7Confident58 Ų5883.3 Ų83.330%0.30446%0.459SS..  trans-75.7156.8173.7-70.6169.1000110.7S397 G398 A399 I401L395-S397 WeakPolarHBondContact CB-OG 3.39Å; L395-S397 PolarHBondContact O-N 3.34Å; L395-G398 WeakPolarHBondContact O-CA 3.34Å; L395-G398 PolarHBondContact O-N 3.47Å; L395-A399 HydrophobicContact CD1-CB 4.13Å; L395-A399 PolarHBondContact N-O 2.69Å; L395-I401 HydrophobicContact CD1-CD1 3.52Å; L395-I401 HydrophobicContact CD1-CG1 4.23Å; L395-I401 HydrophobicContact CD2-CD1 4.43Å; L395-I401 HydrophobicContact CG-CD1 3.96Å
396P79.7Confident84.4Confident76 Ų7680.8 Ų80.849%0.49445%0.446SS..THydrogen-bonded Turntrans-57.5-21.2171.6-25.834.9000113.8K382 I384 G398K382-P396 HydrophobicContact CB-CB 4.01Å; K382-P396 HydrophobicContact CB-CG 3.78Å; K382-P396 HydrophobicContact CG-CB 4.1Å; K382-P396 HydrophobicContact CG-CG 4.39Å; I384-P396 HydrophobicContact CG1-CG 4.22Å; P396-G398 PolarHBondContact O-N 3.21Å
397S81.1Confident84.8Confident98 Ų9879.4 Ų79.469%0.68545%0.445SS*.THydrogen-bonded Turntrans-74.1-2.9171.862.10000114.2L395 A399L395-S397 WeakPolarHBondContact CB-OG 3.39Å; L395-S397 PolarHBondContact O-N 3.34Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 3.11Å
398G79.3Confident85.3Confident62 Ų6285.5 Ų85.564%0.63946%0.462SS*.SBendtrans79.40.5-17500000114.5L395 P396L395-G398 WeakPolarHBondContact O-CA 3.34Å; L395-G398 PolarHBondContact O-N 3.47Å; P396-G398 PolarHBondContact O-N 3.21Å
399A86.9Confident85.9Confident46 Ų4686.3 Ų86.338%0.3846%0.458SS..  trans-75.1134.1176.800000111.3L395 S397L395-A399 HydrophobicContact CD1-CB 4.13Å; L395-A399 PolarHBondContact N-O 2.69Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 3.11Å
400K88.4Confident86.3Confident143 Ų14383.5 Ų83.562%0.62244%0.436SS*.EExtended strand (participates in β ladder)trans-97.2123.2176-63.8-166.5164.4-149.70111.3E392 L393 T394E392-K400 IonicContact OE2-NZ 3.16Å; E392-K400 PolarHBondContact OE2-NZ 3.42Å; L393-K400 CarbonylContact O-C 3.58Å; L393-K400 WeakPolarHBondContact O-CA 3.36Å; T394-K400 HydrophobicContact CG2-CD 4.35Å; T394-K400 HydrophobicContact CG2-CG 3.74Å
401I89.3Confident86.8Confident86 Ų8688.2 Ų88.244%0.44145%0.451SS..EExtended strand (participates in β ladder)trans-109.5115176.5-60174.8000108.4L393 L395L393-I401 HydrophobicContact CB-CB 4.28Å; L393-I401 PolarHBondContact N-O 3.29Å; L393-I401 PolarHBondContact O-N 2.99Å; L395-I401 HydrophobicContact CD1-CD1 3.52Å; L395-I401 HydrophobicContact CD1-CG1 4.23Å; L395-I401 HydrophobicContact CD2-CD1 4.43Å; L395-I401 HydrophobicContact CG-CD1 3.96Å
402G89.9Confident87Confident34 Ų3490 Ų9035%0.35146%0.458SS..EExtended strand (participates in β ladder)trans-86149.5178.600000113.5Y410G402-Y410 VanDerWaalsContact CA-OH 3.32Å; G402-Y410 WeakPolarHBondContact CA-OH 3.09Å
403H90.1Very high86.7Confident66 Ų6698.8 Ų98.831%0.30649%0.489SS..  trans-67.6144177.5-173.3-101.1000113.7L391 S405 L406L391-H403 HydrophobicContact CB-CB 3.83Å; L391-H403 VanDerWaalsContact O-CB 3.31Å; L391-H403 WeakPolarHBondContact O-CB 3.27Å; L391-H403 PolarHBondContact O-N 3.05Å; H403-S405 WeakPolarHBondContact ND1-CB 3.49Å; H403-S405 PolarHBondContact ND1-N 3.33Å; H403-S405 PolarHBondContact ND1-OG 3Å; H403-S405 PolarHBondContact O-N 3.22Å; H403-S405 VanDerWaalsContact O-N 3.07Å; H403-L406 PolarHBondContact O-N 3.4Å
404R89.8Confident86.1Confident205 Ų205104.4 Ų104.477%0.77451%0.512SS*.G310 helixtrans-57-26.9-176.963.3175.8175.6-96.6-3.4114.6L406 M407R404-L406 PolarHBondContact O-N 3.04Å; R404-M407 VanDerWaalsContact O-CB 3.27Å; R404-M407 WeakPolarHBondContact O-CB 3.4Å; R404-M407 PolarHBondContact O-N 3.46Å
405S89.9Confident85Confident70 Ų70105.5 Ų105.549%0.4953%0.531SS..G310 helixtrans-64.5-27.2177.562.90000112.5H403H403-S405 WeakPolarHBondContact ND1-CB 3.49Å; H403-S405 PolarHBondContact ND1-N 3.33Å; H403-S405 PolarHBondContact ND1-OG 3Å; H403-S405 PolarHBondContact O-N 3.22Å; H403-S405 VanDerWaalsContact O-N 3.07Å
406L89.1Confident84Confident40 Ų40106.9 Ų106.921%0.20955%0.551CS.*G310 helixtrans-93.14.4-177.1-60.1176.8000113.1L391 H403 R404 R408 Y409 Y410L391-L406 HydrophobicContact CB-CD1 4.08Å; L391-L406 HydrophobicContact CD1-CD1 4.34Å; H403-L406 PolarHBondContact O-N 3.4Å; R404-L406 PolarHBondContact O-N 3.04Å; L406-R408 PolarHBondContact O-N 3.17Å; L406-Y409 HydrophobicContact CB-CD2 4.14Å; L406-Y409 HydrophobicContact CD2-CD2 3.6Å; L406-Y409 HydrophobicContact CD2-CE2 3.74Å; L406-Y409 HydrophobicContact CG-CD2 4.49Å; L406-Y409 WeakPolarHBondContact O-CA 3.39Å; L406-Y409 WeakPolarHBondContact O-CB 3.41Å; L406-Y409 PolarHBondContact O-N 2.93Å; L406-Y410 HydrophobicContact CB-CD2 4.15Å; L406-Y410 HydrophobicContact CB-CE1 4.21Å; L406-Y410 HydrophobicContact CB-CE2 3.5Å; L406-Y410 VanDerWaalsContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact O-CD2 3.46Å; L406-Y410 PolarHBondContact O-N 3.16Å
407M87.2Confident82.9Confident90 Ų90109 Ų10944%0.44357%0.565SS.*Hα-helixtrans-51.5-35.9-179.8-174.667.665.900113.5R404 Y409 Y410 K411R404-M407 VanDerWaalsContact O-CB 3.27Å; R404-M407 WeakPolarHBondContact O-CB 3.4Å; R404-M407 PolarHBondContact O-N 3.46Å; M407-Y409 VanDerWaalsContact C-N 3.31Å; M407-Y409 PolarHBondContact O-N 3.07Å; M407-Y410 PolarHBondContact O-N 3.4Å; M407-K411 HydrophobicContact CG-CD 4.13Å; M407-K411 WeakPolarHBondContact O-CB 3.34Å; M407-K411 WeakPolarHBondContact O-CG 3.32Å; M407-K411 PolarHBondContact O-N 2.99Å; M407-K411 HydrophobicContact SD-CD 4.28Å; M407-K411 VanDerWaalsContact SD-CE 3.57Å; M407-K411 HydrophobicContact SD-CG 4.43Å
408R88.5Confident81.6Confident198 Ų198115.3 Ų115.375%0.74757%0.573SS**Hα-helixtrans-61.3-41.3176.3-176.8-178.8-179.8-168.40.3111.6L406 Q412L406-R408 PolarHBondContact O-N 3.17Å; R408-Q412 PolarHBondContact O-N 3.49Å
409Y87.2Confident80.4Confident135 Ų135118.7 Ų118.753%0.52958%0.582SS.*Hα-helixtrans-76.7-39.4-179.7-51.2-64.7000111.1L406 M407 K411 Q412L406-Y409 HydrophobicContact CB-CD2 4.14Å; L406-Y409 HydrophobicContact CD2-CD2 3.6Å; L406-Y409 HydrophobicContact CD2-CE2 3.74Å; L406-Y409 HydrophobicContact CG-CD2 4.49Å; L406-Y409 WeakPolarHBondContact O-CA 3.39Å; L406-Y409 WeakPolarHBondContact O-CB 3.41Å; L406-Y409 PolarHBondContact O-N 2.93Å; M407-Y409 VanDerWaalsContact C-N 3.31Å; M407-Y409 PolarHBondContact O-N 3.07Å; Y409-K411 PolarHBondContact O-N 3.42Å; Y409-Q412 WeakPolarHBondContact O-CB 3.18Å; Y409-Q412 PolarHBondContact O-N 3.04Å
410Y87.5Confident78.7Confident99 Ų99121.8 Ų121.839%0.38860%0.596SS.*Hα-helixtrans-62.7-32.4174.5-58.6-36.9000112.9G402 L406 M407 Q412G402-Y410 VanDerWaalsContact CA-OH 3.32Å; G402-Y410 WeakPolarHBondContact CA-OH 3.09Å; L406-Y410 HydrophobicContact CB-CD2 4.15Å; L406-Y410 HydrophobicContact CB-CE1 4.21Å; L406-Y410 HydrophobicContact CB-CE2 3.5Å; L406-Y410 VanDerWaalsContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact O-CD2 3.46Å; L406-Y410 PolarHBondContact O-N 3.16Å; M407-Y410 PolarHBondContact O-N 3.4Å; Y410-Q412 VanDerWaalsContact C-N 3.31Å
411K87.5Confident76.9Confident155 Ų155119.2 Ų119.267%0.67460%0.602SS**THydrogen-bonded Turntrans-80.8-9.6173.1-70.5178.4175.7176.50113.4M407 Y409 R413M407-K411 HydrophobicContact CG-CD 4.13Å; M407-K411 WeakPolarHBondContact O-CB 3.34Å; M407-K411 WeakPolarHBondContact O-CG 3.32Å; M407-K411 PolarHBondContact O-N 2.99Å; M407-K411 HydrophobicContact SD-CD 4.28Å; M407-K411 VanDerWaalsContact SD-CE 3.57Å; M407-K411 HydrophobicContact SD-CG 4.43Å; Y409-K411 PolarHBondContact O-N 3.42Å; K411-R413 PolarHBondContact O-N 3.49Å; K411-R413 VanDerWaalsContact O-N 3.1Å
412Q88.6Confident75.3Confident88 Ų88121.4 Ų121.441%0.41161%0.613SS.*  trans-76.4100.6-178.5-172168.3-2.900110.2R408 Y409 Y410 F414R408-Q412 PolarHBondContact O-N 3.49Å; Y409-Q412 WeakPolarHBondContact O-CB 3.18Å; Y409-Q412 PolarHBondContact O-N 3.04Å; Y410-Q412 VanDerWaalsContact C-N 3.31Å; Q412-F414 HydrophobicContact CB-CE2 4.45Å; Q412-F414 HydrophobicContact CG-CD1 4.48Å; Q412-F414 HydrophobicContact CG-CD2 4.21Å; Q412-F414 HydrophobicContact CG-CE1 4.16Å; Q412-F414 HydrophobicContact CG-CE2 3.85Å; Q412-F414 HydrophobicContact CG-CZ 3.84Å; Q412-F414 PolarHBondContact O-N 3.33Å
413R80.8Confident73.5Confident238 Ų238124.5 Ų124.590%0.89864%0.635SS**  trans-84.195.8171-55.8-17885.1-140.77.5108.2K411 G415K411-R413 PolarHBondContact O-N 3.49Å; K411-R413 VanDerWaalsContact O-N 3.1Å; R413-G415 PolarHBondContact O-N 2.66Å
414F75.4Confident71.8Confident166 Ų166128.5 Ų128.573%0.72865%0.654SS**  trans-65.2108162.6-61.5-80.8000106.9Q412Q412-F414 HydrophobicContact CB-CE2 4.45Å; Q412-F414 HydrophobicContact CG-CD1 4.48Å; Q412-F414 HydrophobicContact CG-CD2 4.21Å; Q412-F414 HydrophobicContact CG-CE1 4.16Å; Q412-F414 HydrophobicContact CG-CE2 3.85Å; Q412-F414 HydrophobicContact CG-CZ 3.84Å; Q412-F414 PolarHBondContact O-N 3.33Å
415G64.3Low70.3Confident62 Ų62123.5 Ų123.564%0.63964%0.643SS**  trans-54.1150169.400000109.4R413R413-G415 PolarHBondContact O-N 2.66Å
416A63.8Low68.8Low87 Ų87129.7 Ų129.772%0.71966%0.655SS**SBendtrans-41132.7169.900000108.2R418A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.37Å
417P56.3Low67.3Low121 Ų121133.5 Ų133.579%0.78668%0.676SS**  trans-50.5103.2-165.320.6-33000107.5T419P417-T419 PolarHBondContact O-N 3.16Å
418R54Low65.9Low230 Ų230130.9 Ų130.987%0.86867%0.668SS**  trans-60.4105167-98.1179.9163.5144.4-4100.8A416 V420A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.37Å; R418-V420 PolarHBondContact O-N 3.42Å
419T53.8Low64.6Low133 Ų133126.1 Ų126.182%0.81666%0.661SS**  trans-52.494.315638.20000102.9P417 A421P417-T419 PolarHBondContact O-N 3.16Å; T419-A421 PolarHBondContact O-N 2.81Å
420V50.9Low63.3Low111 Ų111120.9 Ų120.967%0.67365%0.649SS**  trans-60.298.9170-177.10000100.8R418 L422R418-V420 PolarHBondContact O-N 3.42Å; V420-L422 HydrophobicContact CG1-CD2 4.46Å; V420-L422 PolarHBondContact O-N 3.39Å
421A51.2Low62.2Low90 Ų90124.2 Ų124.274%0.74466%0.66SS**  trans-58.592.916100000102.1T419 A423T419-A421 PolarHBondContact O-N 2.81Å; A421-A423 PolarHBondContact O-N 3.44Å
422L54.5Low61.1Low132 Ų132120.1 Ų120.169%0.69165%0.648SS**  trans-53.8103.5171.7-76.9166000102.7V420 H424V420-L422 HydrophobicContact CG1-CD2 4.46Å; V420-L422 PolarHBondContact O-N 3.39Å; L422-H424 PolarHBondContact O-N 3.43Å
423A52.4Low59.8Low98 Ų98121.5 Ų121.581%0.8166%0.658SS**  trans-60.294.517000000103.6A421 N425A421-A423 PolarHBondContact O-N 3.44Å; A423-N425 VanDerWaalsContact C-N 3.33Å; A423-N425 PolarHBondContact O-N 3.39Å
424H55Low59Low150 Ų150119.4 Ų119.469%0.69465%0.65SS**  trans-68.4100.4-166.9-130.722.9000104.6L422 R426L422-H424 PolarHBondContact O-N 3.43Å; H424-R426 HydrophobicContact CB-CG 4.12Å; H424-R426 PolarHBondContact O-N 3.41Å
425N58.7Low58.3Low100 Ų100117.5 Ų117.554%0.53564%0.643SS.*  trans-73.768174.6-165.5-16.3000107.7A423 N427 A428 V429A423-N425 VanDerWaalsContact C-N 3.33Å; A423-N425 PolarHBondContact O-N 3.39Å; N425-N427 PolarHBondContact O-N 3.46Å; N425-A428 HydrophobicContact CB-CB 4.2Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 2.96Å; N425-A428 VanDerWaalsContact O-N 3.09Å; N425-A428 WeakPolarHBondContact OD1-CB 3.11Å; N425-A428 PolarHBondContact OD1-N 2.9Å; N425-A428 VanDerWaalsContact OD1-N 3.13Å; N425-V429 PolarHBondContact O-N 3.38Å
426R57.3Low57.9Low201 Ų201120.1 Ų120.176%0.75864%0.635SS**Hα-helixtrans-54.7-24.7-179.3-68.3175.587.5176.33.4110.7H424 G430H424-R426 HydrophobicContact CB-CG 4.12Å; H424-R426 PolarHBondContact O-N 3.41Å; R426-G430 PolarHBondContact O-N 3.46Å
427N57.7Low57.7Low119 Ų119123.8 Ų123.864%0.63663%0.634SS**Hα-helixtrans-86.8-24.1-175.4-59.9-9.7000113.4N425 R431N425-N427 PolarHBondContact O-N 3.46Å; N427-R431 PolarHBondContact O-NE 3.44Å
428A58.8Low57.8Low35 Ų35122.2 Ų122.229%0.28963%0.632SS.*Hα-helixtrans-79.4-48.517400000110.8N425 G430 R431 V432N425-A428 HydrophobicContact CB-CB 4.2Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 2.96Å; N425-A428 VanDerWaalsContact O-N 3.09Å; N425-A428 WeakPolarHBondContact OD1-CB 3.11Å; N425-A428 PolarHBondContact OD1-N 2.9Å; N425-A428 VanDerWaalsContact OD1-N 3.13Å; A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 3.5Å; A428-R431 PolarHBondContact O-N 3.01Å; A428-R431 VanDerWaalsContact O-N 3.13Å; A428-V432 WeakPolarHBondContact O-CG2 3.46Å; A428-V432 PolarHBondContact O-N 3.27Å
429V59.9Low58.2Low98 Ų98117.7 Ų117.759%0.59462%0.624SS**Hα-helixtrans-61.8-41.1177.8-176.90000110.5N425 R431 V432 L433N425-V429 PolarHBondContact O-N 3.38Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 2.89Å; V429-V432 PolarHBondContact O-N 3.32Å; V429-L433 VanDerWaalsContact O-CB 3.27Å; V429-L433 WeakPolarHBondContact O-CB 3.46Å; V429-L433 PolarHBondContact O-N 2.88Å
430G61.1Low58.2Low26 Ų26114.4 Ų114.427%0.26862%0.617SS.*Hα-helixtrans-68.1-20.2177.200000115.7R426 A428 R434R426-G430 PolarHBondContact O-N 3.46Å; A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 3.5Å; G430-R434 WeakPolarHBondContact O-CG 3.5Å; G430-R434 PolarHBondContact O-N 3.29Å; G430-R434 PolarHBondContact O-NE 3.24Å
431R65.3Low58.3Low168 Ų168118.7 Ų118.763%0.63462%0.621SS**Hα-helixtrans-81.8-46.5173.2-104.8-177.4-70.6-161.60.8111.1N427 A428 V429 L433 R434 Q435N427-R431 PolarHBondContact O-NE 3.44Å; A428-R431 PolarHBondContact O-N 3.01Å; A428-R431 VanDerWaalsContact O-N 3.13Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 2.89Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3.41Å; R431-R434 PolarHBondContact O-N 2.9Å; R431-R434 VanDerWaalsContact O-N 3.17Å; R431-Q435 PolarHBondContact O-N 2.96Å
432V64.4Low58.5Low69 Ų69117.1 Ų117.142%0.41861%0.613SS.*Hα-helixtrans-60.3-45.1175.7174.70000109.9A428 V429 R434 Q435 Y436A428-V432 WeakPolarHBondContact O-CG2 3.46Å; A428-V432 PolarHBondContact O-N 3.27Å; V429-V432 PolarHBondContact O-N 3.32Å; V432-R434 VanDerWaalsContact C-N 3.31Å; V432-R434 PolarHBondContact O-N 2.94Å; V432-Q435 WeakPolarHBondContact O-CB 3.32Å; V432-Q435 PolarHBondContact O-N 3.34Å; V432-Q435 VanDerWaalsContact O-N 3.14Å; V432-Y436 HydrophobicContact CG1-CD2 3.61Å; V432-Y436 HydrophobicContact CG1-CE2 3.39Å; V432-Y436 WeakPolarHBondContact O-CD2 3.38Å; V432-Y436 PolarHBondContact O-N 3.38Å
433L59.5Low58.1Low118 Ų118114.3 Ų114.362%0.61862%0.616SS**Hα-helixtrans-65.7-30.5177.7-142.576000113.1V429 R431 K437V429-L433 VanDerWaalsContact O-CB 3.27Å; V429-L433 WeakPolarHBondContact O-CB 3.46Å; V429-L433 PolarHBondContact O-N 2.88Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3.41Å; L433-K437 VanDerWaalsContact O-CB 3.27Å; L433-K437 WeakPolarHBondContact O-CB 3.28Å; L433-K437 PolarHBondContact O-N 3.29Å
434R63.8Low58Low193 Ų193116.7 Ų116.773%0.72862%0.615SS**Hα-helixtrans-71.5-37.4172.2-88.1-176.4-111.5-146-3.1112.2G430 R431 V432 K437 A438G430-R434 WeakPolarHBondContact O-CG 3.5Å; G430-R434 PolarHBondContact O-N 3.29Å; G430-R434 PolarHBondContact O-NE 3.24Å; R431-R434 PolarHBondContact O-N 2.9Å; R431-R434 VanDerWaalsContact O-N 3.17Å; V432-R434 VanDerWaalsContact C-N 3.31Å; V432-R434 PolarHBondContact O-N 2.94Å; R434-K437 PolarHBondContact O-N 3.07Å; R434-A438 VanDerWaalsContact O-CB 3.26Å; R434-A438 WeakPolarHBondContact O-CB 3.19Å; R434-A438 PolarHBondContact O-N 2.97Å
435Q62.3Low57.7Low127 Ų127117.5 Ų117.559%0.59362%0.622SS**Hα-helixtrans-64-46.3172.1-89.4171.8-49.100111.5R431 V432 K437 A438 L439R431-Q435 PolarHBondContact O-N 2.96Å; V432-Q435 WeakPolarHBondContact O-CB 3.32Å; V432-Q435 PolarHBondContact O-N 3.34Å; V432-Q435 VanDerWaalsContact O-N 3.14Å; Q435-K437 PolarHBondContact O-N 3.03Å; Q435-A438 PolarHBondContact O-N 3.05Å; Q435-L439 WeakPolarHBondContact O-CB 3.27Å; Q435-L439 WeakPolarHBondContact O-CD1 3.39Å; Q435-L439 WeakPolarHBondContact O-CG 3.47Å; Q435-L439 PolarHBondContact O-N 2.81Å
436Y55.5Low57.2Low116 Ų116115.3 Ų115.346%0.45562%0.622SS.*Hα-helixtrans-62.2-40.9174.9-79.7-74000112.2V432 A438 L439 G440 W441V432-Y436 HydrophobicContact CG1-CD2 3.61Å; V432-Y436 HydrophobicContact CG1-CE2 3.39Å; V432-Y436 WeakPolarHBondContact O-CD2 3.38Å; V432-Y436 PolarHBondContact O-N 3.38Å; Y436-A438 PolarHBondContact O-N 3.24Å; Y436-L439 PolarHBondContact O-N 3.05Å; Y436-G440 PolarHBondContact O-N 2.88Å; Y436-W441 HydrophobicContact CD1-CD2 4.23Å; Y436-W441 HydrophobicContact CD1-CE3 4.02Å; Y436-W441 HydrophobicContact CD1-CG 4.48Å; Y436-W441 HydrophobicContact CE1-CE3 4.47Å; Y436-W441 WeakPolarHBondContact O-CB 3.42Å; Y436-W441 PolarHBondContact O-N 3.5Å
437K59.3Low57Low164 Ų164114.8 Ų114.871%0.71363%0.625SS**Hα-helixtrans-68.2-33.6177.3-161.1169.6-171.9174.10113.1L433 R434 Q435 L439 G440L433-K437 VanDerWaalsContact O-CB 3.27Å; L433-K437 WeakPolarHBondContact O-CB 3.28Å; L433-K437 PolarHBondContact O-N 3.29Å; R434-K437 PolarHBondContact O-N 3.07Å; Q435-K437 PolarHBondContact O-N 3.03Å; K437-L439 VanDerWaalsContact C-N 3.34Å; K437-G440 PolarHBondContact O-N 2.96Å
438A57.6Low56.7Low89 Ų89115.7 Ų115.774%0.73663%0.63SS**Hα-helixtrans-72.5-27.4173.600000112.7R434 Q435 Y436 G440R434-A438 VanDerWaalsContact O-CB 3.26Å; R434-A438 WeakPolarHBondContact O-CB 3.19Å; R434-A438 PolarHBondContact O-N 2.97Å; Q435-A438 PolarHBondContact O-N 3.05Å; Y436-A438 PolarHBondContact O-N 3.24Å; A438-G440 PolarHBondContact O-N 2.86Å
439L62.8Low56.4Low135 Ų135117.1 Ų117.171%0.70764%0.638SS**THydrogen-bonded Turntrans-81.111.8173.3-70.2163.4000113.1Q435 Y436 K437 W441Q435-L439 WeakPolarHBondContact O-CB 3.27Å; Q435-L439 WeakPolarHBondContact O-CD1 3.39Å; Q435-L439 WeakPolarHBondContact O-CG 3.47Å; Q435-L439 PolarHBondContact O-N 2.81Å; Y436-L439 PolarHBondContact O-N 3.05Å; K437-L439 VanDerWaalsContact C-N 3.34Å; L439-W441 VanDerWaalsContact C-N 3.28Å; L439-W441 PolarHBondContact O-N 2.89Å
440G53.6Low55.9Low64 Ų64119.6 Ų119.666%0.6664%0.641SS**THydrogen-bonded Turntrans77.17.117700000114.9Y436 K437 A438 G442Y436-G440 PolarHBondContact O-N 2.88Å; K437-G440 PolarHBondContact O-N 2.96Å; A438-G440 PolarHBondContact O-N 2.86Å; G440-G442 PolarHBondContact O-N 3.28Å
441W54.2Low55.5Low201 Ų201123.7 Ų123.776%0.76165%0.653SS**  trans-75.766.7166.6-87.137.7000110.1Y436 L439 G443Y436-W441 HydrophobicContact CD1-CD2 4.23Å; Y436-W441 HydrophobicContact CD1-CE3 4.02Å; Y436-W441 HydrophobicContact CD1-CG 4.48Å; Y436-W441 HydrophobicContact CE1-CE3 4.47Å; Y436-W441 WeakPolarHBondContact O-CB 3.42Å; Y436-W441 PolarHBondContact O-N 3.5Å; L439-W441 VanDerWaalsContact C-N 3.28Å; L439-W441 PolarHBondContact O-N 2.89Å; W441-G443 PolarHBondContact O-N 3.37Å
442G54.2Low55.1Low56 Ų56120.6 Ų120.658%0.57765%0.646SS**  trans-85.395.9158.100000107.1G440 D444G440-G442 PolarHBondContact O-N 3.28Å; G442-D444 PolarHBondContact O-N 3.07Å
443G47.1Very low54.8Low73 Ų73121.9 Ų121.975%0.75365%0.65SS**  trans-55.4105.6172.300000109.5W441 M445W441-G443 PolarHBondContact O-N 3.37Å; G443-M445 PolarHBondContact O-N 3.2Å
444D49.3Very low54.8Low149 Ų149120.9 Ų120.980%0.79764%0.643SS**  trans-69.678.2166.9-176.528.3000108G442G442-D444 PolarHBondContact O-N 3.07Å
445M49.1Very low55.1Low167 Ų167118.3 Ų118.382%0.82364%0.636SS**  trans-136.7114.2169.2-69.3-64.3151.100107.6G443G443-M445 PolarHBondContact O-N 3.2Å
446G49.3Very low55.5Low53 Ų53115.6 Ų115.655%0.54663%0.626SS.*  trans-47.5145.8-165.200000115.5N448 S449G446-N448 PolarHBondContact O-N 3.38Å; G446-S449 PolarHBondContact O-N 2.88Å
447K51.4Low56.2Low190 Ų190115.3 Ų115.383%0.82663%0.63SS**Hα-helixtrans-47.8-17.3178.6-68.7171.5178.7171.50114.8H451K447-H451 PolarHBondContact O-CD2 3.48Å
448N51.3Low56.9Low139 Ų139114 Ų11474%0.74363%0.625SS**Hα-helixtrans-82.4-28.1-179.3-69.5-1.5000114.6G446 Q452G446-N448 PolarHBondContact O-N 3.38Å; N448-Q452 PolarHBondContact O-N 2.9Å
449S53Low58Low64 Ų64115.8 Ų115.845%0.44862%0.616SS.*Hα-helixtrans-70.8-35.1-177.2-179.90000112.3G446 H451 Q452 N453G446-S449 PolarHBondContact O-N 2.88Å; S449-H451 PolarHBondContact O-N 3.28Å; S449-Q452 PolarHBondContact O-N 3.21Å; S449-N453 PolarHBondContact O-N 3.01Å
450F49.3Very low58.8Low150 Ų150113.1 Ų113.166%0.65861%0.605SS**Hα-helixtrans-67.2-38.4179-160-95.3000112.5Q454F450-Q454 WeakPolarHBondContact O-CB 3.22Å; F450-Q454 PolarHBondContact O-N 2.71Å; F450-Q454 VanDerWaalsContact O-N 3.15Å
451H53.9Low59.9Low113 Ų113116.5 Ų116.552%0.52360%0.604SS.*Hα-helixtrans-70.7-34.2175.9-78-65000112.6K447 S449 K455K447-H451 PolarHBondContact O-CD2 3.48Å; S449-H451 PolarHBondContact O-N 3.28Å; H451-K455 WeakPolarHBondContact O-CG 3.31Å; H451-K455 PolarHBondContact O-N 2.89Å; H451-K455 VanDerWaalsContact O-N 3.09Å
452Q57.3Low61.3Low103 Ų103113.2 Ų113.248%0.48160%0.595SS.*Hα-helixtrans-67.1-50.7175.9-163.665.526.900110.8N448 S449 Q454 K455 D456N448-Q452 PolarHBondContact O-N 2.9Å; S449-Q452 PolarHBondContact O-N 3.21Å; Q452-Q454 PolarHBondContact O-N 3.37Å; Q452-Q454 VanDerWaalsContact O-N 3.17Å; Q452-K455 PolarHBondContact O-N 3.34Å; Q452-D456 VanDerWaalsContact O-CG 3.25Å; Q452-D456 PolarHBondContact O-N 3.24Å
453N56.5Low62.9Low95 Ų95114.6 Ų114.651%0.50859%0.587SS.*Hα-helixtrans-57.5-35176.4-75.8-11.6000112.6S449 M457S449-N453 PolarHBondContact O-N 3.01Å; N453-M457 WeakPolarHBondContact O-CB 3.35Å; N453-M457 VanDerWaalsContact O-CG 3.26Å; N453-M457 WeakPolarHBondContact O-CG 3.44Å; N453-M457 PolarHBondContact O-N 2.86Å
454Q60.7Low64.6Low98 Ų98117.6 Ų117.646%0.45858%0.58SS.*Hα-helixtrans-74.4-34.5178.2-157.5-17965.600112.9F450 Q452 K458F450-Q454 WeakPolarHBondContact O-CB 3.22Å; F450-Q454 PolarHBondContact O-N 2.71Å; F450-Q454 VanDerWaalsContact O-N 3.15Å; Q452-Q454 PolarHBondContact O-N 3.37Å; Q452-Q454 VanDerWaalsContact O-N 3.17Å; Q454-K458 WeakPolarHBondContact O-CG 3.32Å; Q454-K458 PolarHBondContact O-N 3.01Å
455K69Low66Low138 Ų138113.4 Ų113.460%0.656%0.562SS**Hα-helixtrans-69.1-41172.9-74.6176.7-177.9178.90111.1H451 Q452 M457 K458 F459H451-K455 WeakPolarHBondContact O-CG 3.31Å; H451-K455 PolarHBondContact O-N 2.89Å; H451-K455 VanDerWaalsContact O-N 3.09Å; Q452-K455 PolarHBondContact O-N 3.34Å; K455-M457 PolarHBondContact O-N 3.33Å; K455-K458 PolarHBondContact O-N 2.99Å; K455-F459 PolarHBondContact O-N 3.18Å
456D71.6Confident68Low70 Ų70113 Ų11337%0.37455%0.551SS.*Hα-helixtrans-64.9-40.9178.7-66-14.4000110.9Q452 K458 F459 V460Q452-D456 VanDerWaalsContact O-CG 3.25Å; Q452-D456 PolarHBondContact O-N 3.24Å; D456-K458 PolarHBondContact O-N 3.39Å; D456-F459 PolarHBondContact O-N 2.74Å; D456-V460 VanDerWaalsContact O-CG2 3.27Å; D456-V460 WeakPolarHBondContact O-CG2 3.43Å; D456-V460 PolarHBondContact O-N 3.42Å
457M69.1Low69.7Low111 Ų111118.4 Ų118.455%0.54756%0.555SS.*Hα-helixtrans-63-39.5173.3-74.6-64.2103.300113.4N453 K455 F459 V460 Q461N453-M457 WeakPolarHBondContact O-CB 3.35Å; N453-M457 VanDerWaalsContact O-CG 3.26Å; N453-M457 WeakPolarHBondContact O-CG 3.44Å; N453-M457 PolarHBondContact O-N 2.86Å; K455-M457 PolarHBondContact O-N 3.33Å; M457-F459 VanDerWaalsContact C-N 3.34Å; M457-V460 HydrophobicContact CE-CG2 4.39Å; M457-V460 PolarHBondContact O-N 3.36Å; M457-Q461 WeakPolarHBondContact O-CB 3.12Å; M457-Q461 WeakPolarHBondContact O-CG 3.42Å; M457-Q461 PolarHBondContact O-N 3.16Å
458K75.6Confident71.3Confident136 Ų136114.3 Ų114.359%0.59154%0.54SS*.Hα-helixtrans-66-38.3174.7-74.5178.7-179.9-179.70111.8Q454 K455 D456 K462Q454-K458 WeakPolarHBondContact O-CG 3.32Å; Q454-K458 PolarHBondContact O-N 3.01Å; K455-K458 PolarHBondContact O-N 2.99Å; D456-K458 PolarHBondContact O-N 3.39Å; K458-K462 WeakPolarHBondContact O-CB 3.37Å; K458-K462 PolarHBondContact O-N 3.33Å
459F80.3Confident73.1Confident127 Ų127113.2 Ų113.256%0.55753%0.534SS*.Hα-helixtrans-65.3-46.1176.2-179.1-98.8000111.6K455 D456 M457 Q461 K462 M463K455-F459 PolarHBondContact O-N 3.18Å; D456-F459 PolarHBondContact O-N 2.74Å; M457-F459 VanDerWaalsContact C-N 3.34Å; F459-Q461 VanDerWaalsContact C-N 3.35Å; F459-Q461 PolarHBondContact O-N 3.32Å; F459-K462 PolarHBondContact O-N 3.12Å; F459-M463 HydrophobicContact CD1-CG 4.3Å; F459-M463 HydrophobicContact CE1-CG 3.85Å; F459-M463 HydrophobicContact CE2-CE 3.91Å; F459-M463 HydrophobicContact CE2-CG 4.37Å; F459-M463 HydrophobicContact CZ-CE 3.8Å; F459-M463 HydrophobicContact CZ-CG 3.89Å; F459-M463 HydrophobicContact CZ-SD 4.49Å; F459-M463 PolarHBondContact O-N 3.49Å
460V78.8Confident75Confident78 Ų78118 Ų11847%0.47355%0.547SS..Hα-helixtrans-59.6-44.3176.1170.40000111.2D456 M457 K462 M463 K464D456-V460 VanDerWaalsContact O-CG2 3.27Å; D456-V460 WeakPolarHBondContact O-CG2 3.43Å; D456-V460 PolarHBondContact O-N 3.42Å; M457-V460 HydrophobicContact CE-CG2 4.39Å; M457-V460 PolarHBondContact O-N 3.36Å; V460-K462 PolarHBondContact O-N 3.04Å; V460-M463 PolarHBondContact O-N 3.15Å; V460-K464 WeakPolarHBondContact O-CB 3.4Å; V460-K464 PolarHBondContact O-N 3.42Å
461Q77.2Confident76.8Confident136 Ų136114.1 Ų114.164%0.63653%0.532SS*.Hα-helixtrans-62.3-41.6176.2-75.7177.7-6.400112.4M457 F459 K464 S465M457-Q461 WeakPolarHBondContact O-CB 3.12Å; M457-Q461 WeakPolarHBondContact O-CG 3.42Å; M457-Q461 PolarHBondContact O-N 3.16Å; F459-Q461 VanDerWaalsContact C-N 3.35Å; F459-Q461 PolarHBondContact O-N 3.32Å; Q461-K464 PolarHBondContact O-N 2.83Å; Q461-S465 PolarHBondContact O-N 3.36Å; Q461-S465 PolarHBondContact O-OG 3.44Å
462K84.4Confident78.4Confident131 Ų131110.5 Ų110.557%0.5753%0.525SS*.Hα-helixtrans-67-38.2177.2-172.6176.7-178.3177.70112.4K458 F459 V460 S465 R466K458-K462 WeakPolarHBondContact O-CB 3.37Å; K458-K462 PolarHBondContact O-N 3.33Å; F459-K462 PolarHBondContact O-N 3.12Å; V460-K462 PolarHBondContact O-N 3.04Å; K462-S465 PolarHBondContact O-OG 3.32Å; K462-R466 WeakPolarHBondContact O-CG 3.5Å; K462-R466 PolarHBondContact O-N 3.47Å; K462-R466 VanDerWaalsContact O-N 3.1Å
463M86.9Confident79.8Confident86 Ų86111.8 Ų111.842%0.42453%0.533SS..Hα-helixtrans-66.5-43.9175.5-80.7-67.5149.200111.3F459 V460 S465 R466 W467F459-M463 HydrophobicContact CD1-CG 4.3Å; F459-M463 HydrophobicContact CE1-CG 3.85Å; F459-M463 HydrophobicContact CE2-CE 3.91Å; F459-M463 HydrophobicContact CE2-CG 4.37Å; F459-M463 HydrophobicContact CZ-CE 3.8Å; F459-M463 HydrophobicContact CZ-CG 3.89Å; F459-M463 HydrophobicContact CZ-SD 4.49Å; F459-M463 PolarHBondContact O-N 3.49Å; V460-M463 PolarHBondContact O-N 3.15Å; M463-S465 PolarHBondContact O-N 3.42Å; M463-R466 PolarHBondContact O-N 2.73Å; M463-W467 WeakPolarHBondContact O-CB 3.49Å; M463-W467 PolarHBondContact O-N 3.09Å
464K82.9Confident81.1Confident136 Ų136108.6 Ų108.659%0.59152%0.522SS*.Hα-helixtrans-61.3-43.6177-166.2178.7180174.70112V460 Q461 W467 M468V460-K464 WeakPolarHBondContact O-CB 3.4Å; V460-K464 PolarHBondContact O-N 3.42Å; Q461-K464 PolarHBondContact O-N 2.83Å; K464-W467 PolarHBondContact O-N 3.44Å; K464-M468 HydrophobicContact CG-CE 4.08Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.2Å
465S79.4Confident82.2Confident61 Ų61106.6 Ų106.643%0.42752%0.515SS..Hα-helixtrans-66.8-42.2178.667.90000112.6Q461 K462 M463 W467 M468 L469Q461-S465 PolarHBondContact O-N 3.36Å; Q461-S465 PolarHBondContact O-OG 3.44Å; K462-S465 PolarHBondContact O-OG 3.32Å; M463-S465 PolarHBondContact O-N 3.42Å; S465-W467 VanDerWaalsContact C-N 3.33Å; S465-W467 PolarHBondContact O-N 3.22Å; S465-M468 PolarHBondContact O-N 3.29Å; S465-L469 WeakPolarHBondContact O-CB 3.07Å; S465-L469 PolarHBondContact O-N 3.39Å
466R90Very high82.7Confident159 Ų159105.3 Ų105.360%0.651%0.514SS*.Hα-helixtrans-62.1-41.2175-73.2179.794.5-179.27.5111.9K462 M463 L469 K470K462-R466 WeakPolarHBondContact O-CG 3.5Å; K462-R466 PolarHBondContact O-N 3.47Å; K462-R466 VanDerWaalsContact O-N 3.1Å; M463-R466 PolarHBondContact O-N 2.73Å; R466-L469 PolarHBondContact O-N 3.06Å; R466-K470 WeakPolarHBondContact O-CB 3.09Å; R466-K470 PolarHBondContact O-N 3.2Å
467W85.1Confident82.8Confident166 Ų166106.7 Ų106.763%0.62953%0.53SS*.Hα-helixtrans-65.8-45.5178.3-176.885.8000111.9M463 K464 S465 L469 K470 I471M463-W467 WeakPolarHBondContact O-CB 3.49Å; M463-W467 PolarHBondContact O-N 3.09Å; K464-W467 PolarHBondContact O-N 3.44Å; S465-W467 VanDerWaalsContact C-N 3.33Å; S465-W467 PolarHBondContact O-N 3.22Å; W467-L469 VanDerWaalsContact C-N 3.34Å; W467-L469 PolarHBondContact O-N 2.75Å; W467-K470 PolarHBondContact O-N 3.01Å; W467-I471 HydrophobicContact CD2-CD1 3.86Å; W467-I471 HydrophobicContact CD2-CG1 4.38Å; W467-I471 HydrophobicContact CE3-CD1 4.17Å; W467-I471 HydrophobicContact CH2-CD1 3.5Å; W467-I471 HydrophobicContact CZ2-CD1 3.12Å; W467-I471 HydrophobicContact CZ2-CG1 4.38Å; W467-I471 HydrophobicContact CZ3-CD1 4Å; W467-I471 PolarHBondContact O-N 3.45Å
468M84.6Confident83.2Confident103 Ų103107.2 Ų107.251%0.50754%0.535SS..Hα-helixtrans-61.5-41.2176.1-73.3-173.1-63.300112.2K464 S465 G472K464-M468 HydrophobicContact CG-CE 4.08Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.2Å; S465-M468 PolarHBondContact O-N 3.29Å; M468-G472 PolarHBondContact O-N 3.49Å
469L90.7Very high83.3Confident116 Ų116108 Ų10861%0.60754%0.538SS*.Hα-helixtrans-62.7-46.2175.4-166.4101.7000111.2S465 R466 W467 I471 G472 M473S465-L469 WeakPolarHBondContact O-CB 3.07Å; S465-L469 PolarHBondContact O-N 3.39Å; R466-L469 PolarHBondContact O-N 3.06Å; W467-L469 VanDerWaalsContact C-N 3.34Å; W467-L469 PolarHBondContact O-N 2.75Å; L469-I471 PolarHBondContact O-N 2.89Å; L469-G472 PolarHBondContact O-N 3.08Å; L469-M473 HydrophobicContact CD2-SD 3.67Å; L469-M473 HydrophobicContact CG-SD 3.88Å; L469-M473 WeakPolarHBondContact O-CB 3.42Å; L469-M473 VanDerWaalsContact O-CG 3.27Å; L469-M473 WeakPolarHBondContact O-CG 3.38Å; L469-M473 PolarHBondContact O-N 3.26Å
470K91.6Very high83.3Confident165 Ų165106.5 Ų106.572%0.71753%0.533SS*.Hα-helixtrans-61.1-44.2-179.9-167.4176.4-166.5-1800111.9R466 W467 G474R466-K470 WeakPolarHBondContact O-CB 3.09Å; R466-K470 PolarHBondContact O-N 3.2Å; W467-K470 PolarHBondContact O-N 3.01Å; K470-G474 PolarHBondContact O-N 3.28Å
471I86.8Confident83.1Confident68 Ų68107.8 Ų107.835%0.34954%0.541SS..Hα-helixtrans-68-42.4176.1-71.6-165.3000111.5W467 L469 M473 G474 N475W467-I471 HydrophobicContact CD2-CD1 3.86Å; W467-I471 HydrophobicContact CD2-CG1 4.38Å; W467-I471 HydrophobicContact CE3-CD1 4.17Å; W467-I471 HydrophobicContact CH2-CD1 3.5Å; W467-I471 HydrophobicContact CZ2-CD1 3.12Å; W467-I471 HydrophobicContact CZ2-CG1 4.38Å; W467-I471 HydrophobicContact CZ3-CD1 4Å; W467-I471 PolarHBondContact O-N 3.45Å; L469-I471 PolarHBondContact O-N 2.89Å; I471-M473 PolarHBondContact O-N 3.16Å; I471-G474 PolarHBondContact O-N 3.13Å; I471-N475 WeakPolarHBondContact O-CB 3.33Å; I471-N475 PolarHBondContact O-N 2.75Å; I471-N475 PolarHBondContact O-ND2 3.44Å
472G88.8Confident83.4Confident37 Ų37109.9 Ų109.938%0.38155%0.55SS.*Hα-helixtrans-59-45.9176.800000112.3M468 L469 N475 N476M468-G472 PolarHBondContact O-N 3.49Å; L469-G472 PolarHBondContact O-N 3.08Å; G472-N475 PolarHBondContact O-N 3.1Å; G472-N476 PolarHBondContact O-N 3Å
473M85.7Confident83.4Confident130 Ų130110 Ų11064%0.6455%0.551SS**Hα-helixtrans-65.8-39.9176.9-67.5170.576.400112.1L469 I471 N475 N476L469-M473 HydrophobicContact CD2-SD 3.67Å; L469-M473 HydrophobicContact CG-SD 3.88Å; L469-M473 WeakPolarHBondContact O-CB 3.42Å; L469-M473 VanDerWaalsContact O-CG 3.27Å; L469-M473 WeakPolarHBondContact O-CG 3.38Å; L469-M473 PolarHBondContact O-N 3.26Å; I471-M473 PolarHBondContact O-N 3.16Å; M473-N475 VanDerWaalsContact C-N 3.34Å; M473-N475 PolarHBondContact O-N 3Å; M473-N476 PolarHBondContact O-N 3.05Å
474G84Confident83.3Confident28 Ų28116.1 Ų116.129%0.28957%0.57SS.*Hα-helixtrans-65.5-35.117500000113.2K470 I471 N476 S477 N478K470-G474 PolarHBondContact O-N 3.28Å; I471-G474 PolarHBondContact O-N 3.13Å; G474-N476 VanDerWaalsContact C-N 3.31Å; G474-N476 PolarHBondContact O-N 3.18Å; G474-S477 PolarHBondContact O-N 3.19Å; G474-N478 WeakPolarHBondContact O-CB 3.33Å; G474-N478 PolarHBondContact O-N 2.92Å
475N84.8Confident83.4Confident56 Ų56114 Ų11430%0.29957%0.565SS.*Hα-helixtrans-67.5-27.4179.3-75.1-17.4000113.4I471 G472 M473 S477 K479I471-N475 WeakPolarHBondContact O-CB 3.33Å; I471-N475 PolarHBondContact O-N 2.75Å; I471-N475 PolarHBondContact O-ND2 3.44Å; G472-N475 PolarHBondContact O-N 3.1Å; M473-N475 VanDerWaalsContact C-N 3.34Å; M473-N475 PolarHBondContact O-N 3Å; N475-S477 VanDerWaalsContact C-N 3.27Å; N475-S477 PolarHBondContact O-N 3.49Å; N475-K479 HydrophobicContact CB-CD 4.15Å; N475-K479 HydrophobicContact CB-CG 4.19Å; N475-K479 VanDerWaalsContact O-CB 3.28Å; N475-K479 WeakPolarHBondContact O-CB 3.43Å; N475-K479 PolarHBondContact O-N 3.07Å; N475-K479 WeakPolarHBondContact OD1-CE 3.24Å
476N77.8Confident83.4Confident111 Ų111120.5 Ų120.559%0.59459%0.588SS**Hα-helixtrans-60.8-37176.1-87.61.1000112.2G472 M473 G474 Q480G472-N476 PolarHBondContact O-N 3Å; M473-N476 PolarHBondContact O-N 3.05Å; G474-N476 VanDerWaalsContact C-N 3.31Å; G474-N476 PolarHBondContact O-N 3.18Å; N476-Q480 WeakPolarHBondContact O-CB 3.3Å; N476-Q480 WeakPolarHBondContact O-CG 3.35Å
477S74.2Confident83.1Confident99 Ų99118.1 Ų118.169%0.69259%0.591SS**Hα-helixtrans-87.2-42.1176.4-169.60000112.1G474 N475G474-S477 PolarHBondContact O-N 3.19Å; N475-S477 VanDerWaalsContact C-N 3.27Å; N475-S477 PolarHBondContact O-N 3.49Å
478N76.8Confident82.3Confident123 Ų123117.5 Ų117.566%0.65860%0.597SS**Hα-helixtrans-79-23.2-171.3-70.2-15.9000113.9G474G474-N478 WeakPolarHBondContact O-CB 3.33Å; G474-N478 PolarHBondContact O-N 2.92Å
479K78.2Confident81.5Confident151 Ų151124.3 Ų124.366%0.65762%0.624SS**SBendtrans-107.2-6-175.3-60.2-162.8173.4-167.40114.6N475N475-K479 HydrophobicContact CB-CD 4.15Å; N475-K479 HydrophobicContact CB-CG 4.19Å; N475-K479 VanDerWaalsContact O-CB 3.28Å; N475-K479 WeakPolarHBondContact O-CB 3.43Å; N475-K479 PolarHBondContact O-N 3.07Å; N475-K479 WeakPolarHBondContact OD1-CE 3.24Å
480Q79.8Confident81.1Confident96 Ų96124.8 Ų124.845%0.44963%0.625SS.*  trans-102.751.4178.1-61.1-168.4-13.300111.3N476 H482 F483N476-Q480 WeakPolarHBondContact O-CB 3.3Å; N476-Q480 WeakPolarHBondContact O-CG 3.35Å; Q480-H482 PolarHBondContact O-N 3.11Å; Q480-F483 HydrophobicContact CB-CB 4.14Å; Q480-F483 PolarHBondContact O-N 2.99Å
481T76.3Confident80.5Confident106 Ų106122.6 Ų122.665%0.6562%0.62SS**THydrogen-bonded Turntrans-64.1-24.3-176.154.60000113.8
482H83.1Confident80.2Confident179 Ų179125.7 Ų125.783%0.82964%0.635SS**THydrogen-bonded Turntrans-12142.6177.9-54.3-66.1000111.7Q480 R484Q480-H482 PolarHBondContact O-N 3.11Å; H482-R484 PolarHBondContact O-N 3.17Å
483F84.5Confident79.7Confident133 Ų133130.9 Ų130.958%0.58365%0.65SS**  trans-65.7124.9177.8-174-107.3000111.5Q480 L485Q480-F483 HydrophobicContact CB-CB 4.14Å; Q480-F483 PolarHBondContact O-N 2.99Å; F483-L485 HydrophobicContact CE1-CD2 3.79Å; F483-L485 HydrophobicContact CE1-CG 4.34Å
484R83.7Confident79.3Confident215 Ų215130.9 Ų130.981%0.81165%0.651SS**  trans-108.1119.9178-176.4177.5177.3178.80.6110.1H482 Q486H482-R484 PolarHBondContact O-N 3.17Å; R484-Q486 PolarHBondContact O-N 3.21Å
485L85.8Confident79Confident93 Ų93137.8 Ų137.849%0.48768%0.675SS.*  trans-64.3129173-70.6166.8000110.1F483 M488F483-L485 HydrophobicContact CE1-CD2 3.79Å; F483-L485 HydrophobicContact CE1-CG 4.34Å; L485-M488 HydrophobicContact CB-SD 4.31Å
486Q79.3Confident78.6Confident197 Ų197143.6 Ų143.692%0.92170%0.702SS**SBendtrans-83.9-24.2-179.6-77.1-176-32.900113.3R484R484-Q486 PolarHBondContact O-N 3.21Å
487V83.1Confident78.6Confident109 Ų109146.2 Ų146.266%0.66171%0.71SS**SBendtrans-117.2114.3174.8-177.10000107
488M69.5Low79Confident153 Ų153150.1 Ų150.175%0.75471%0.711SS**  trans-91120.7169.7-58.6-63.9-140.600106.5L485L485-M488 HydrophobicContact CB-SD 4.31Å
489F67.9Low79.2Confident246 Ų246152.5 Ų152.5100%1.07972%0.716SS**  trans-89.40175.220.2-98.9000111.3

Retrieved 489 of 489 residues in 1608.7 ms (Link to these results)