A0A087YM16_POEFO Loading...

IK cytokine

AlphaFold DB , UniProt , Accession A0A087YM16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 404 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
1M42.9Very low56.2Low231 Ų231158.4 Ų158.4100%1.13885%0.852SS**  0109.80-77.1-67.2179.500106.6
2P48.2Very low56.9Low128 Ų128151.8 Ų151.883%0.83184%0.836SS**  trans-85.4132.717631.8-27.4000110.5
3E47.4Very low57.8Low188 Ų188148.9 Ų148.988%0.87983%0.829SS**  trans-63134.5176.2-63.7-92.8143.300110.6E5E3-E5 PolarHBondContact O-N 3.37Å
4T51Low57.7Low128 Ų128153.3 Ų153.379%0.78584%0.84SS**  trans-83.7109.9174.9500000109.8S6T4-S6 PolarHBondContact O-N 3.13Å
5E56.4Low57.8Low175 Ų175148.5 Ų148.582%0.81884%0.84SS**  trans-66.4114171.2-68.9-179.3170.300110.5E3 Y7E3-E5 PolarHBondContact O-N 3.37Å; E5-Y7 PolarHBondContact O-N 2.84Å
6S59.2Low57.4Low115 Ų115148.9 Ų148.980%0.80483%0.832SS**  trans-73.5102.8176-59.30000110.5T4 S8T4-S6 PolarHBondContact O-N 3.13Å; S6-S8 PolarHBondContact O-N 3.13Å
7Y47.3Very low57.1Low228 Ų228150.5 Ų150.589%0.89483%0.832SS**  trans-66.8110.5167.6-101.2-97.3000109.9E5E5-Y7 PolarHBondContact O-N 2.84Å
8S66.5Low56.9Low109 Ų109148.8 Ų148.876%0.76283%0.826SS**PPolyproline II helixtrans-93.7134.9167.487.30000110S6S6-S8 PolarHBondContact O-N 3.13Å
9N64.4Low56.6Low154 Ų154148 Ų14882%0.82482%0.82SS**PPolyproline II helixtrans-73.5135.5179.4-155.135.7000109.1
10P68.6Low56Low113 Ų113146.3 Ų146.373%0.73481%0.81SS**PPolyproline II helixtrans-63.4142.4-175.225-33.9000112.1
11L65.9Low55.7Low173 Ų173146.9 Ų146.991%0.90681%0.806SS**PPolyproline II helixtrans-69.2139.1179.2-144.775.2000110.5
12A65.1Low56Low80 Ų80145.8 Ų145.866%0.66179%0.789SS**PPolyproline II helixtrans-67.1148.717900000111.5
13P69Low55.9Low114 Ų114144.3 Ų144.374%0.7478%0.782SS**PPolyproline II helixtrans-61.3141.3-178.7-19.931.2000113G15P13-G15 PolarHBondContact O-N 2.67Å
14E55.7Low56Low210 Ų210138.6 Ų138.698%0.98177%0.767SS**THydrogen-bonded Turntrans-63.8115.8173.8-95171.3157.100110.5
15G60.1Low55.8Low82 Ų82136.5 Ų136.585%0.84576%0.762SS**THydrogen-bonded Turntrans135.2-4.6178.500000115.4P13 E17P13-G15 PolarHBondContact O-N 2.67Å; G15-E17 PolarHBondContact O-N 3.09Å
16H50.3Low55.5Low155 Ų155136.7 Ų136.772%0.71876%0.763SS**  trans-88.399.3172.6-155.2-21.9000110V18H16-V18 PolarHBondContact O-N 3.09Å; H16-V18 VanDerWaalsContact O-N 3.08Å
17E53.4Low55.4Low175 Ų175135.2 Ų135.282%0.81875%0.753SS**  trans-60.6113.3160.2-71.6-169.3160.400107.1G15 D19G15-E17 PolarHBondContact O-N 3.09Å; E17-D19 PolarHBondContact O-N 3.36Å
18V53Low56Low120 Ų120133.5 Ų133.573%0.72775%0.75SS**  trans-82.1103.2166.8-76.10000106H16 D20H16-V18 PolarHBondContact O-N 3.09Å; H16-V18 VanDerWaalsContact O-N 3.08Å; V18-D20 PolarHBondContact O-N 3.05Å
19D51.3Low56.4Low134 Ų134134.9 Ų134.972%0.71775%0.748SS**  trans-54.1110.9162.6-88.3-51.6000107.1E17 H21E17-D19 PolarHBondContact O-N 3.36Å; D19-H21 VanDerWaalsContact C-N 3.27Å; D19-H21 PolarHBondContact O-CD2 2.78Å; D19-H21 PolarHBondContact O-N 3.43Å
20D43.9Very low57.2Low114 Ų114131.4 Ų131.461%0.6173%0.733SS**  trans-6889.2-177.2-158.8-6.4000108.2V18 R22 S23V18-D20 PolarHBondContact O-N 3.05Å; D20-R22 PolarHBondContact O-N 2.81Å; D20-S23 PolarHBondContact O-N 3.35Å; D20-S23 VanDerWaalsContact O-N 3.09Å
21H49.8Very low57.6Low158 Ų158132.1 Ų132.173%0.73173%0.731SS**THydrogen-bonded Turntrans-59.9-1.3-178.7-72.9-62.6000113.5D19 S23D19-H21 VanDerWaalsContact C-N 3.27Å; D19-H21 PolarHBondContact O-CD2 2.78Å; D19-H21 PolarHBondContact O-N 3.43Å; H21-S23 VanDerWaalsContact C-N 3.29Å
22R48.7Very low58.3Low209 Ų209128.5 Ų128.579%0.78971%0.712SS**THydrogen-bonded Turntrans-68.7-23.8169.5-75.1-177.8166.1-164.7-2.3113.5D20D20-R22 PolarHBondContact O-N 2.81Å
23S46.5Very low59Low96 Ų96127.9 Ų127.967%0.67170%0.698SS**G310 helixtrans-80-20.8177.6-57.70000113.4D20 H21 A25D20-S23 PolarHBondContact O-N 3.35Å; D20-S23 VanDerWaalsContact O-N 3.09Å; H21-S23 VanDerWaalsContact C-N 3.29Å; S23-A25 VanDerWaalsContact C-N 3.32Å
24A49.1Very low59.4Low69 Ų69128.2 Ų128.257%0.5769%0.687SS**G310 helixtrans-79.3-13.7177.800000113.5Q26A24-Q26 VanDerWaalsContact C-N 3.34Å; A24-Q26 PolarHBondContact O-N 2.81Å
25A47.4Very low60.9Low83 Ų83125.8 Ų125.869%0.68667%0.669SS**G310 helixtrans-84.3-1.3-177.500000114.4S23S23-A25 VanDerWaalsContact C-N 3.32Å
26Q49.5Very low61.9Low179 Ų179128.8 Ų128.884%0.83666%0.659SS**G310 helixtrans-96.3-12.9-180-69.5-167.1-700114.7A24 K28A24-Q26 VanDerWaalsContact C-N 3.34Å; A24-Q26 PolarHBondContact O-N 2.81Å; Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.14Å
27S59.1Low63.2Low85 Ų85127.3 Ų127.359%0.59466%0.656SS**  trans-86.887.217469.50000110.3L29S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.5Å
28K59.2Low64.4Low192 Ų192124.5 Ų124.584%0.83565%0.646SS**  trans-66.891.1165.6-69.3178.2-177.5179.40108.2Q26 T30Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.14Å; K28-T30 PolarHBondContact O-N 3.07Å
29L73.7Confident65.7Low137 Ų137126.5 Ų126.572%0.71765%0.649SS**  trans-52.9126.4171.7-71.3155.1000108.7S27 D33S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.5Å; L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.89Å
30T81.4Confident66.9Low82 Ų82124.3 Ų124.350%0.50364%0.641SS.*  trans-87.2164.5-177.962.40000110.6K28 D32 D33 F34K28-T30 PolarHBondContact O-N 3.07Å; T30-D32 PolarHBondContact O-N 3.5Å; T30-D33 WeakPolarHBondContact O-CB 3.48Å; T30-D33 PolarHBondContact O-N 3.45Å; T30-F34 PolarHBondContact O-N 2.94Å
31N77.1Confident67.6Low128 Ų128124.8 Ų124.868%0.68465%0.65SS**Hα-helixtrans-56.1-25176.6-94.7-34.8000113F34 R35N31-F34 PolarHBondContact O-N 3.27Å; N31-R35 WeakPolarHBondContact O-CG 3.18Å; N31-R35 PolarHBondContact O-N 2.81Å
32D80.4Confident68.1Low96 Ų96128.8 Ų128.851%0.51366%0.659SS.*Hα-helixtrans-75.1-29.8175.7-75.4-20.3000113T30 F34 R35 K36T30-D32 PolarHBondContact O-N 3.5Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-R35 IonicContact OD1-CZ 3.19Å; D32-R35 IonicContact OD1-NH1 3.61Å; D32-R35 PolarHBondContact OD1-NH1 2.91Å; D32-K36 PolarHBondContact O-N 3.13Å
33D81.4Confident68.6Low68 Ų68123.1 Ų123.136%0.36466%0.657SS.*Hα-helixtrans-69.7-34.3170.7-73-36.2000111.6L29 T30 K36 L37L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.89Å; T30-D33 WeakPolarHBondContact O-CB 3.48Å; T30-D33 PolarHBondContact O-N 3.45Å; D33-K36 PolarHBondContact O-N 3.34Å; D33-L37 WeakPolarHBondContact O-CB 3.22Å; D33-L37 PolarHBondContact O-N 3.26Å
34F76.1Confident69Low120 Ų120124.7 Ų124.753%0.52666%0.662SS.*Hα-helixtrans-67.1-40.3173.6-172.9-101.2000112.1T30 N31 D32 K36 L37 L38T30-F34 PolarHBondContact O-N 2.94Å; N31-F34 PolarHBondContact O-N 3.27Å; D32-F34 VanDerWaalsContact C-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.33Å; F34-L37 WeakPolarHBondContact O-CB 3.49Å; F34-L37 PolarHBondContact O-N 2.79Å; F34-L38 HydrophobicContact CD1-CD1 3.75Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.23Å; F34-L38 HydrophobicContact CZ-CD1 4Å; F34-L38 HydrophobicContact CZ-CG 4.47Å; F34-L38 PolarHBondContact O-N 3.42Å; F34-L38 VanDerWaalsContact O-N 3.08Å
35R86.6Confident69.3Low159 Ų159127.2 Ų127.260%0.667%0.673SS**Hα-helixtrans-63.5-39.4173.1-72.4169.9178.8164-6111.7N31 D32 L38 M39N31-R35 WeakPolarHBondContact O-CG 3.18Å; N31-R35 PolarHBondContact O-N 2.81Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-R35 IonicContact OD1-CZ 3.19Å; D32-R35 IonicContact OD1-NH1 3.61Å; D32-R35 PolarHBondContact OD1-NH1 2.91Å; R35-L38 PolarHBondContact O-N 3.01Å; R35-M39 VanDerWaalsContact O-CG 3.28Å; R35-M39 WeakPolarHBondContact O-CG 3.15Å; R35-M39 PolarHBondContact O-N 3.34Å
36K81.1Confident69.6Low146 Ų146128.7 Ų128.764%0.63569%0.686SS**Hα-helixtrans-62.5-42.9173.1-98.1178.6174.6174.70112.3D32 D33 F34 L38 M39 T40D32-K36 PolarHBondContact O-N 3.13Å; D33-K36 PolarHBondContact O-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.33Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 3.45Å; K36-M39 PolarHBondContact O-N 2.88Å; K36-T40 PolarHBondContact O-N 2.75Å; K36-T40 PolarHBondContact O-OG1 3.47Å; K36-T40 VanDerWaalsContact O-OG1 3.06Å
37L78.8Confident69.5Low124 Ų124125.3 Ų125.365%0.64968%0.681SS**Hα-helixtrans-62.3-33.6177.6-166.192.2000112.6D33 F34 T40D33-L37 WeakPolarHBondContact O-CB 3.22Å; D33-L37 PolarHBondContact O-N 3.26Å; F34-L37 WeakPolarHBondContact O-CB 3.49Å; F34-L37 PolarHBondContact O-N 2.79Å; L37-T40 PolarHBondContact O-OG1 2.88Å
38L79Confident68.9Low116 Ų116125.6 Ų125.661%0.60769%0.689SS**Hα-helixtrans-76.8-25.4177-78.5167.5000113.2F34 R35 K36F34-L38 HydrophobicContact CD1-CD1 3.75Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.23Å; F34-L38 HydrophobicContact CZ-CD1 4Å; F34-L38 HydrophobicContact CZ-CG 4.47Å; F34-L38 PolarHBondContact O-N 3.42Å; F34-L38 VanDerWaalsContact O-N 3.08Å; R35-L38 PolarHBondContact O-N 3.01Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 3.45Å
39M80.1Confident68.4Low162 Ų162121.7 Ų121.780%0.79868%0.683SS**Hα-helixtrans-93.3-15.4-179-66.6-67.3160.500113.1R35 K36 P41R35-M39 VanDerWaalsContact O-CG 3.28Å; R35-M39 WeakPolarHBondContact O-CG 3.15Å; R35-M39 PolarHBondContact O-N 3.34Å; K36-M39 PolarHBondContact O-N 2.88Å; M39-P41 WeakPolarHBondContact O-CD 3.01Å
40T75.6Confident67.1Low88 Ų88121.2 Ų121.254%0.5469%0.689SS.*SBendtrans-83.9117.6173.642.70000110.5K36 L37 R42K36-T40 PolarHBondContact O-N 2.75Å; K36-T40 PolarHBondContact O-OG1 3.47Å; K36-T40 VanDerWaalsContact O-OG1 3.06Å; L37-T40 PolarHBondContact O-OG1 2.88Å; T40-R42 PolarHBondContact O-N 2.95Å
41P59.3Low65.3Low124 Ų124124.1 Ų124.181%0.80571%0.706SS**PPolyproline II helixtrans-61.9124.6175.823.9-31.1000109.4M39 A43M39-P41 WeakPolarHBondContact O-CD 3.01Å; P41-A43 PolarHBondContact O-N 3.26Å
42R60.1Low63.7Low241 Ų241127.5 Ų127.591%0.90972%0.715SS**PPolyproline II helixtrans-54.8118.1-177.3-175.9174.5174.7179.4-1.7110.3T40 T44T40-R42 PolarHBondContact O-N 2.95Å; R42-T44 PolarHBondContact O-N 2.82Å
43A59Low62.2Low91 Ų91128.6 Ų128.675%0.75273%0.73SS**PPolyproline II helixtrans-61.9129.7175.600000110.6P41P41-A43 PolarHBondContact O-N 3.26Å
44T54.8Low60.5Low128 Ų128136.8 Ų136.879%0.78576%0.756SS**PPolyproline II helixtrans-71.6128.5173.450.30000109.7R42R42-T44 PolarHBondContact O-N 2.82Å
45P55.7Low58.8Low123 Ų123140 Ų14080%0.79977%0.772SS**PPolyproline II helixtrans-69136.4179.627.2-33.1000111.8S47P45-S47 PolarHBondContact O-N 3.41Å
46A53.2Low56.8Low114 Ų114140.9 Ų140.994%0.94278%0.783SS**SBendtrans-89.827.4-174.600000114.8
47S48.6Very low55.4Low107 Ų107142.5 Ų142.575%0.74879%0.793SS**  trans-142117.1178-1720000111.5P45P45-S47 PolarHBondContact O-N 3.41Å
48A46.7Very low54Low91 Ų91144 Ų14475%0.75280%0.798SS**PPolyproline II helixtrans-80.7136.9179.300000111
49P47.6Very low52.9Low111 Ų111144.1 Ų144.172%0.72181%0.806SS**PPolyproline II helixtrans-79.8151.6169.932.4-30.5000110.8T51P49-T51 PolarHBondContact O-N 2.81Å
50P47.2Very low52Low127 Ų127147.7 Ų147.783%0.82581%0.811SS**PPolyproline II helixtrans-67.5134.4-174.327-33.8000112K52P50-K52 PolarHBondContact O-N 3.41Å
51T42.3Very low51Low143 Ų143151.3 Ų151.388%0.87783%0.827SS**  trans-66.3111.8178.150.70000111.3P49P49-T51 PolarHBondContact O-N 2.81Å
52K43.4Very low50.8Low198 Ų198154.3 Ų154.386%0.86182%0.823SS**  trans-92.2123155.2-80.8-176.3177.5178.90108.4P50 R54P50-K52 PolarHBondContact O-N 3.41Å; K52-R54 PolarHBondContact O-N 2.9Å
53S50Low50.7Low120 Ų120147.5 Ų147.584%0.83981%0.805SS**  trans-55.7116.6174.4430000111.1
54R45.5Very low50.7Low239 Ų239148.2 Ų148.290%0.90279%0.792SS**  trans-115.4132.5154.1-81.7178.786.3170.53.6107.6K52K52-R54 PolarHBondContact O-N 2.9Å
55H39.8Very low50.9Low187 Ų187145.9 Ų145.987%0.86678%0.775SS**  trans-46.3135-179.1-74.7-106.2000112E57H55-E57 PolarHBondContact O-N 3.4Å
56H44.3Very low51.1Low178 Ų178147.9 Ų147.982%0.82477%0.774SS**  trans-74.196.4171.7-164.975.3000108.2
57E52.7Low52.2Low181 Ų181145.3 Ų145.385%0.84674%0.744SS**  trans-90.3138.7157.4-84.6-174.7166.300108.6H55H55-E57 PolarHBondContact O-N 3.4Å
58M49.3Very low53.3Low156 Ų156144.8 Ų144.877%0.76874%0.739SS**  trans-45.7145.6-178.6-64.3-75.1-77.600112.3R60M58-R60 PolarHBondContact O-N 3.44Å
59P55.3Low54.6Low118 Ų118142.8 Ų142.877%0.76672%0.722SS**  trans-57.1103170.6-21.332.6000109.9D61P59-D61 PolarHBondContact O-N 3.37Å
60R62.1Low56Low237 Ų237138 Ų13889%0.89469%0.692SS**  trans-68.8120.7159.4-95-178.7171.1167.5-1.8106.2M58 Y62M58-R60 PolarHBondContact O-N 3.44Å; R60-Y62 PolarHBondContact O-N 3.07Å
61D55Low57.3Low164 Ų164139.5 Ų139.588%0.87768%0.681SS**  trans-49.9110.9167.6-89.4-38.2000108.7P59 N63P59-D61 PolarHBondContact O-N 3.37Å; D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 VanDerWaalsContact O-N 3.08Å
62Y53.7Low58.9Low187 Ų187142.5 Ų142.573%0.73368%0.676SS**  trans-75.698.9177.5-163.7-91.1000107.4R60 E64R60-Y62 PolarHBondContact O-N 3.07Å; Y62-E64 PolarHBondContact O-N 2.98Å; Y62-E64 VanDerWaalsContact O-N 3.09Å
63N59.4Low60.5Low97 Ų97142.6 Ų142.652%0.51967%0.671SS.*  trans-77.697.4177.7-152-25.3000109D61 D65 E66D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 VanDerWaalsContact O-N 3.08Å; N63-D65 PolarHBondContact O-N 3.44Å; N63-E66 PolarHBondContact O-N 2.78Å; N63-E66 VanDerWaalsContact O-N 3.11Å
64E57.9Low62Low106 Ų106140.8 Ų140.850%0.49565%0.648SS.*THydrogen-bonded Turntrans-59.3-12.7-177.7-153.2-169.6-157.100112.9Y62 A70 K74Y62-E64 PolarHBondContact O-N 2.98Å; Y62-E64 VanDerWaalsContact O-N 3.09Å; E64-A70 HydrophobicContact CG-CB 3.93Å; E64-A70 WeakPolarHBondContact O-CB 3.36Å; E64-K74 WeakPolarHBondContact OE2-CE 3.28Å; E64-K74 IonicContact OE2-NZ 2.9Å; E64-K74 PolarHBondContact OE2-NZ 3.26Å
65D59.4Low63.7Low79 Ų79135.8 Ų135.842%0.42263%0.633SS.*THydrogen-bonded Turntrans-84.3-7.1179.1-64.4-29000114.2N63 R71 K74N63-D65 PolarHBondContact O-N 3.44Å; D65-R71 PolarHBondContact O-NE 3.48Å; D65-R71 PolarHBondContact O-NH2 2.96Å; D65-K74 IonicContact OD1-NZ 2.8Å; D65-K74 PolarHBondContact OD1-NZ 3.48Å
66E59.2Low65.8Low166 Ų166134.9 Ų134.978%0.77663%0.627SS**SBendtrans-93-15.4173.2-71.6-169.7164.200113.6N63 P68N63-E66 PolarHBondContact O-N 2.78Å; N63-E66 VanDerWaalsContact O-N 3.11Å; E66-P68 VanDerWaalsContact O-CD 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.14Å
67D75.9Confident67.4Low59 Ų59129.3 Ų129.332%0.31661%0.607SS.*  trans-82.5115.2178.8-174.2-7.8000111.5A69 A70 R71D67-A69 PolarHBondContact O-N 3.29Å; D67-A69 VanDerWaalsContact O-N 3.14Å; D67-A69 WeakPolarHBondContact OD1-CB 3.37Å; D67-A69 PolarHBondContact OD1-N 3.33Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.27Å; D67-R71 PolarHBondContact O-N 3.21Å; D67-R71 VanDerWaalsContact O-N 3.15Å
68P72.1Confident69.1Low97 Ų97127.8 Ų127.863%0.6360%0.595SS**Hα-helixtrans-58.5-27177.8-23.635.1000113.6E66 R72E66-P68 VanDerWaalsContact O-CD 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.14Å; P68-R72 PolarHBondContact O-N 3.49Å
69A75.1Confident70.6Confident48 Ų48126.8 Ų126.840%0.39758%0.584SS.*Hα-helixtrans-74.2-36.4177.100000112D67 R72 R73D67-A69 PolarHBondContact O-N 3.29Å; D67-A69 VanDerWaalsContact O-N 3.14Å; D67-A69 WeakPolarHBondContact OD1-CB 3.37Å; D67-A69 PolarHBondContact OD1-N 3.33Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.18Å; A69-R73 PolarHBondContact O-N 2.89Å; A69-R73 VanDerWaalsContact O-N 3.11Å
70A76.9Confident72Confident11 Ų11123.7 Ų123.79%0.09157%0.568CS.*Hα-helixtrans-68.3-41.8175.900000111.6E64 D67 R72 R73 K74E64-A70 HydrophobicContact CG-CB 3.93Å; E64-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.27Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.49Å; A70-R73 PolarHBondContact O-N 3.41Å; A70-K74 WeakPolarHBondContact O-CG 3.25Å; A70-K74 PolarHBondContact O-N 3.35Å
71R74.8Confident73.1Confident159 Ų159119.3 Ų119.360%0.656%0.555SS**Hα-helixtrans-59.7-41.3173.6-71.5-172.7179.2-144.7-1.1112.7D65 D67 K74 K75D65-R71 PolarHBondContact O-NE 3.48Å; D65-R71 PolarHBondContact O-NH2 2.96Å; D67-R71 PolarHBondContact O-N 3.21Å; D67-R71 VanDerWaalsContact O-N 3.15Å; R71-K74 PolarHBondContact O-N 3.47Å; R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 3.28Å
72R75.7Confident74.6Confident206 Ų206115 Ų11578%0.77753%0.532SS*.Hα-helixtrans-63.7-40.3175.4-84.2179.5147.7-152.9-5.2112.5P68 A69 A70 K76P68-R72 PolarHBondContact O-N 3.49Å; A69-R72 PolarHBondContact O-N 3.49Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.49Å; R72-K76 WeakPolarHBondContact O-CB 3.25Å; R72-K76 PolarHBondContact O-N 3.32Å
73R77.3Confident76.1Confident199 Ų199114.9 Ų114.975%0.75153%0.53SS*.Hα-helixtrans-67.4-44.2176.7-73175.4177.7-178.70.4112.1A69 A70 K76 S77A69-R73 WeakPolarHBondContact O-CG 3.18Å; A69-R73 PolarHBondContact O-N 2.89Å; A69-R73 VanDerWaalsContact O-N 3.11Å; A70-R73 PolarHBondContact O-N 3.41Å; R73-K76 PolarHBondContact O-N 3.37Å; R73-S77 PolarHBondContact O-N 3.09Å; R73-S77 PolarHBondContact O-OG 3.23Å
74K79.9Confident77Confident83 Ų83116.7 Ų116.736%0.36154%0.535SS..Hα-helixtrans-61-42.1175.2-72.7176.3178.6174.20111.8E64 D65 A70 R71 S77 Y78E64-K74 WeakPolarHBondContact OE2-CE 3.28Å; E64-K74 IonicContact OE2-NZ 2.9Å; E64-K74 PolarHBondContact OE2-NZ 3.26Å; D65-K74 IonicContact OD1-NZ 2.8Å; D65-K74 PolarHBondContact OD1-NZ 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.25Å; A70-K74 PolarHBondContact O-N 3.35Å; R71-K74 PolarHBondContact O-N 3.47Å; K74-S77 PolarHBondContact O-OG 3.42Å; K74-Y78 VanDerWaalsContact O-CB 3.32Å; K74-Y78 WeakPolarHBondContact O-CB 3.33Å; K74-Y78 PolarHBondContact O-N 3.14Å
75K81.1Confident78.1Confident134 Ų134118 Ų11858%0.58354%0.541SS*.Hα-helixtrans-64.6-44.4175.7-167.5172.4-178.1177.60111.8R71 Y78 Y79R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 3.28Å; K75-Y78 WeakPolarHBondContact O-CB 3.32Å; K75-Y78 PolarHBondContact O-N 2.94Å; K75-Y79 HydrophobicContact CD-CE2 4.29Å; K75-Y79 HydrophobicContact CG-CD2 3.95Å; K75-Y79 HydrophobicContact CG-CE2 3.68Å; K75-Y79 VanDerWaalsContact O-CD2 3.25Å; K75-Y79 WeakPolarHBondContact O-CD2 3.29Å; K75-Y79 PolarHBondContact O-N 3.09Å; K75-Y79 VanDerWaalsContact O-N 3.15Å
76K85.1Confident79.1Confident168 Ų168120 Ų12073%0.7355%0.548SS*.Hα-helixtrans-65-41.6179.1-172.5176.1-179.71800112.5R72 R73 Y78 A80R72-K76 WeakPolarHBondContact O-CB 3.25Å; R72-K76 PolarHBondContact O-N 3.32Å; R73-K76 PolarHBondContact O-N 3.37Å; K76-Y78 VanDerWaalsContact C-N 3.32Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.06Å; K76-A80 VanDerWaalsContact O-N 3.1Å
77S78.1Confident79.8Confident60 Ų60117.9 Ų117.942%0.4254%0.54SS..Hα-helixtrans-68.7-32.6176.863.30000112.2R73 K74 K81R73-S77 PolarHBondContact O-N 3.09Å; R73-S77 PolarHBondContact O-OG 3.23Å; K74-S77 PolarHBondContact O-OG 3.42Å; S77-K81 WeakPolarHBondContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.41Å; S77-K81 PolarHBondContact O-N 2.94Å
78Y87.3Confident79.9Confident150 Ų150121.6 Ų121.659%0.58856%0.555SS**Hα-helixtrans-63.2-52.2174.8-178.4-96.9000112.6K74 K75 K76 A80 K81 L82K74-Y78 VanDerWaalsContact O-CB 3.32Å; K74-Y78 WeakPolarHBondContact O-CB 3.33Å; K74-Y78 PolarHBondContact O-N 3.14Å; K75-Y78 WeakPolarHBondContact O-CB 3.32Å; K75-Y78 PolarHBondContact O-N 2.94Å; K76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 3.06Å; Y78-K81 PolarHBondContact O-N 3.49Å; Y78-L82 PolarHBondContact O-N 3.1Å
79Y82.2Confident80.2Confident135 Ų135125.6 Ų125.653%0.52956%0.558SS.*Hα-helixtrans-66.5-32.3177.5-75.9-77.8000112.9K75 L82 R83K75-Y79 HydrophobicContact CD-CE2 4.29Å; K75-Y79 HydrophobicContact CG-CD2 3.95Å; K75-Y79 HydrophobicContact CG-CE2 3.68Å; K75-Y79 VanDerWaalsContact O-CD2 3.25Å; K75-Y79 WeakPolarHBondContact O-CD2 3.29Å; K75-Y79 PolarHBondContact O-N 3.09Å; K75-Y79 VanDerWaalsContact O-N 3.15Å; Y79-L82 PolarHBondContact O-N 3.04Å; Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 3.45Å
80A84.7Confident79.9Confident52 Ų52130 Ų13043%0.4357%0.57SS.*Hα-helixtrans-65.3-40.2173.700000112.1K76 Y78 Q84K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.06Å; K76-A80 VanDerWaalsContact O-N 3.1Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 3.06Å; A80-Q84 WeakPolarHBondContact O-CG 3.21Å; A80-Q84 PolarHBondContact O-N 3.07Å
81K85.3Confident79.8Confident146 Ų146137.4 Ų137.464%0.63560%0.596SS**Hα-helixtrans-66.4-39.8174.2-78.5-179.1178.2-175.80112.1S77 Y78 R83 Q84 Q85S77-K81 WeakPolarHBondContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.41Å; S77-K81 PolarHBondContact O-N 2.94Å; Y78-K81 PolarHBondContact O-N 3.49Å; K81-R83 PolarHBondContact O-N 3.34Å; K81-Q84 PolarHBondContact O-N 2.93Å; K81-Q85 WeakPolarHBondContact O-CB 3.08Å; K81-Q85 PolarHBondContact O-N 2.76Å
82L85.6Confident79.9Confident73 Ų73136 Ų13638%0.38260%0.596SS.*Hα-helixtrans-62.5-44177.7-163.168.7000111.4Y78 Y79 Q84 Q85 E86Y78-L82 PolarHBondContact O-N 3.1Å; Y79-L82 PolarHBondContact O-N 3.04Å; L82-Q84 VanDerWaalsContact C-N 3.34Å; L82-Q84 PolarHBondContact O-N 3.34Å; L82-Q85 PolarHBondContact O-N 3.46Å; L82-E86 PolarHBondContact O-N 2.92Å
83R84.4Confident79.6Confident185 Ų185131.6 Ų131.670%0.69859%0.587SS**Hα-helixtrans-65.8-34.7175.6-169.4176.1-178.1171.63113Y79 K81 M87Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 3.45Å; K81-R83 PolarHBondContact O-N 3.34Å; R83-M87 WeakPolarHBondContact O-CB 3.49Å; R83-M87 PolarHBondContact O-N 2.92Å; R83-M87 VanDerWaalsContact O-N 3.08Å
84Q79.4Confident79.4Confident135 Ų135125.2 Ų125.263%0.63158%0.577SS**Hα-helixtrans-67.4-40.9173.3-79.5-172.3-9.300111.8A80 K81 L82 M87 E88A80-Q84 WeakPolarHBondContact O-CG 3.21Å; A80-Q84 PolarHBondContact O-N 3.07Å; K81-Q84 PolarHBondContact O-N 2.93Å; L82-Q84 VanDerWaalsContact C-N 3.34Å; L82-Q84 PolarHBondContact O-N 3.34Å; Q84-M87 PolarHBondContact O-N 3.31Å; Q84-E88 VanDerWaalsContact O-CB 3.28Å; Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 2.97Å
85Q80.5Confident79.1Confident132 Ų132127.6 Ų127.662%0.61759%0.589SS**Hα-helixtrans-66.7-37.1178.5-165.1175.326.800112.2K81 L82 R89K81-Q85 WeakPolarHBondContact O-CB 3.08Å; K81-Q85 PolarHBondContact O-N 2.76Å; L82-Q85 PolarHBondContact O-N 3.46Å; Q85-R89 VanDerWaalsContact O-CB 3.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.26Å; Q85-R89 PolarHBondContact O-N 2.96Å
86E79.9Confident78.9Confident123 Ų123129.7 Ų129.758%0.57560%0.598SS**Hα-helixtrans-63.6-47.8171-81.3-179.5160.400111.9L82 E88 R89 E90L82-E86 PolarHBondContact O-N 2.92Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.45Å; E86-R89 PolarHBondContact O-N 3.44Å; E86-E90 WeakPolarHBondContact O-CG 3.33Å; E86-E90 PolarHBondContact O-N 3.44Å
87M74Confident78.2Confident121 Ų121130.3 Ų130.360%0.59660%0.597SS**Hα-helixtrans-63-37.4178.9-172.7-177.2-65.900112.4R83 Q84 R91R83-M87 WeakPolarHBondContact O-CB 3.49Å; R83-M87 PolarHBondContact O-N 2.92Å; R83-M87 VanDerWaalsContact O-N 3.08Å; Q84-M87 PolarHBondContact O-N 3.31Å; M87-R91 VanDerWaalsContact O-CB 3.32Å; M87-R91 WeakPolarHBondContact O-CB 3.45Å; M87-R91 PolarHBondContact O-N 3.39Å
88E79.2Confident78Confident137 Ų137134 Ų13464%0.6460%0.602SS**Hα-helixtrans-69.3-41.3176.7-172.1168.5-148.900111.5Q84 E86 R91 E92Q84-E88 VanDerWaalsContact O-CB 3.28Å; Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 2.97Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.45Å; E88-R91 PolarHBondContact O-N 2.84Å; E88-E92 WeakPolarHBondContact O-CB 3.48Å; E88-E92 PolarHBondContact O-N 3.15Å
89R77.4Confident77.1Confident180 Ų180129.6 Ų129.668%0.67959%0.589SS**Hα-helixtrans-64.1-40.1174.4-170.1-171.5-177.8102.5-0.2112.2Q85 E86 E92 L93Q85-R89 VanDerWaalsContact O-CB 3.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.26Å; Q85-R89 PolarHBondContact O-N 2.96Å; E86-R89 PolarHBondContact O-N 3.44Å; R89-E92 PolarHBondContact O-N 2.99Å; R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CB 3.44Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.14Å
90E69.4Low76.8Confident141 Ų141129.4 Ų129.466%0.65959%0.587SS**Hα-helixtrans-67.3-38.3175-76.2-172.4163.800112.1E86 L93 A94E86-E90 WeakPolarHBondContact O-CG 3.33Å; E86-E90 PolarHBondContact O-N 3.44Å; E90-L93 PolarHBondContact O-N 3.16Å; E90-A94 WeakPolarHBondContact O-CB 3.47Å; E90-A94 PolarHBondContact O-N 2.98Å
91R73.9Confident76Confident167 Ų167129.7 Ų129.763%0.6359%0.589SS**Hα-helixtrans-66.3-42.2174.6-176.7-179.6170.7-179-1111.8M87 E88 L93 A94 E95M87-R91 VanDerWaalsContact O-CB 3.32Å; M87-R91 WeakPolarHBondContact O-CB 3.45Å; M87-R91 PolarHBondContact O-N 3.39Å; E88-R91 PolarHBondContact O-N 2.84Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 3.18Å; R91-A94 PolarHBondContact O-N 3.49Å; R91-E95 HydrophobicContact CG-CG 4.49Å; R91-E95 IonicContact CZ-OE1 3.6Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.48Å; R91-E95 IonicContact NH2-OE1 3.35Å; R91-E95 PolarHBondContact NH2-OE1 3.48Å; R91-E95 WeakPolarHBondContact O-CB 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 3.38Å
92E78.3Confident75.6Confident130 Ų130130.2 Ų130.261%0.60759%0.587SS**Hα-helixtrans-63-40.4175.9-169.3-174.8179.300111.3E88 R89 E95 K96E88-E92 WeakPolarHBondContact O-CB 3.48Å; E88-E92 PolarHBondContact O-N 3.15Å; R89-E92 PolarHBondContact O-N 2.99Å; E92-E95 PolarHBondContact O-N 3.44Å; E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.32Å; E92-K96 PolarHBondContact O-N 3.11Å
93L68.9Low75.1Confident112 Ų112128.8 Ų128.859%0.58658%0.579SS**Hα-helixtrans-65.6-36.6174-76.8166.2000112.5R89 E90 R91 K96 Y97R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CB 3.44Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.14Å; E90-L93 PolarHBondContact O-N 3.16Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 3.18Å; L93-K96 PolarHBondContact O-N 2.87Å; L93-Y97 PolarHBondContact O-N 3.12Å
94A73.3Confident74.4Confident65 Ų65126.9 Ų126.954%0.53757%0.572SS.*Hα-helixtrans-70.5-39.4175.500000112.3E90 R91 K96 Y97E90-A94 WeakPolarHBondContact O-CB 3.47Å; E90-A94 PolarHBondContact O-N 2.98Å; R91-A94 PolarHBondContact O-N 3.49Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3Å; A94-Y97 PolarHBondContact O-N 3.38Å
95E73.2Confident74.3Confident134 Ų134130.9 Ų130.963%0.62658%0.581SS**Hα-helixtrans-68.2-30.4175-73.7176.9-172.400111.6R91 E92 Y97R91-E95 HydrophobicContact CG-CG 4.49Å; R91-E95 IonicContact CZ-OE1 3.6Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.48Å; R91-E95 IonicContact NH2-OE1 3.35Å; R91-E95 PolarHBondContact NH2-OE1 3.48Å; R91-E95 WeakPolarHBondContact O-CB 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 3.38Å; E92-E95 PolarHBondContact O-N 3.44Å; E95-Y97 VanDerWaalsContact C-N 3.3Å
96K77.6Confident74.1Confident177 Ų177129.9 Ų129.977%0.7758%0.58SS**THydrogen-bonded Turntrans-77.4-12174.1-162.1169.6-175.1176.20113.7E92 L93 A94 R98E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.32Å; E92-K96 PolarHBondContact O-N 3.11Å; L93-K96 PolarHBondContact O-N 2.87Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3Å; K96-R98 PolarHBondContact O-N 3.13Å
97Y70.3Confident73.4Confident181 Ų181127 Ų12771%0.7158%0.584SS**  trans-85.7112.3178.9-167-95.4000111.2L93 A94 E95 D99L93-Y97 PolarHBondContact O-N 3.12Å; A94-Y97 PolarHBondContact O-N 3.38Å; E95-Y97 VanDerWaalsContact C-N 3.3Å; Y97-D99 PolarHBondContact O-N 2.93Å
98R73.2Confident73Confident137 Ų137126.4 Ų126.452%0.51759%0.586SS.*  trans-77.2108.2174.1-173.6175.1175.4176.1-8.9110.3K96 R100 E103K96-R98 PolarHBondContact O-N 3.13Å; R98-R100 VanDerWaalsContact C-N 3.32Å; R98-R100 PolarHBondContact O-N 3.21Å; R98-E103 WeakPolarHBondContact CG-OE1 3.28Å; R98-E103 IonicContact CZ-OE1 2.74Å; R98-E103 IonicContact CZ-OE2 3.53Å; R98-E103 VanDerWaalsContact NE-CD 3.31Å; R98-E103 IonicContact NE-OE1 3.94Å; R98-E103 PolarHBondContact NE-OE1 3.33Å; R98-E103 IonicContact NE-OE2 3.84Å; R98-E103 PolarHBondContact NE-OE2 3.29Å; R98-E103 IonicContact NH2-OE1 2.78Å; R98-E103 PolarHBondContact NH2-OE1 3.22Å; R98-E103 IonicContact NH2-OE2 3.01Å; R98-E103 PolarHBondContact NH2-OE2 3.19Å
99D68.3Low72Confident59 Ų59120.5 Ų120.532%0.31656%0.559SS.*  trans-75.580.5178.5-171.6-8000111.8Y97 A101 R102 E103Y97-D99 PolarHBondContact O-N 2.93Å; D99-A101 PolarHBondContact O-N 2.95Å; D99-A101 VanDerWaalsContact O-N 3.15Å; D99-A101 PolarHBondContact OD1-N 3.36Å; D99-R102 HydrophobicContact CB-CB 4.08Å; D99-R102 VanDerWaalsContact CG-CB 3.44Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 PolarHBondContact OD1-N 3.49Å; D99-R102 WeakPolarHBondContact OD2-CB 3.41Å; D99-R102 IonicContact OD2-CZ 3.52Å; D99-R102 IonicContact OD2-NE 2.8Å; D99-R102 PolarHBondContact OD2-NE 3.1Å; D99-R102 IonicContact OD2-NH2 2.9Å; D99-E103 PolarHBondContact O-N 2.81Å; D99-E103 VanDerWaalsContact O-N 3.11Å
100R76.3Confident71.4Confident131 Ų131120.1 Ų120.149%0.49456%0.562SS.*Hα-helixtrans-63.1-14.4177.8-132176.7-167.4-179.93.7113.9R98 R104 D111R98-R100 VanDerWaalsContact C-N 3.32Å; R98-R100 PolarHBondContact O-N 3.21Å; R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-NH1 3.24Å; R100-D111 IonicContact CZ-OD2 3.51Å; R100-D111 IonicContact NE-OD2 3.48Å; R100-D111 IonicContact NH2-OD2 3.3Å; R100-D111 PolarHBondContact NH2-OD2 3.07Å
101A66.7Low70.9Confident57 Ų57117.2 Ų117.247%0.47155%0.551SS.*Hα-helixtrans-84.2-38176.300000110.9D99 R104 R105D99-A101 PolarHBondContact O-N 2.95Å; D99-A101 VanDerWaalsContact O-N 3.15Å; D99-A101 PolarHBondContact OD1-N 3.36Å; A101-R104 PolarHBondContact O-N 3.09Å; A101-R105 PolarHBondContact O-N 2.82Å
102R76.9Confident70.1Confident157 Ų157115 Ų11559%0.59254%0.544SS*.Hα-helixtrans-67.1-41.7171.6-168.7176.7-58.8-139.9-2112D99 R104 R105 D106D99-R102 HydrophobicContact CB-CB 4.08Å; D99-R102 VanDerWaalsContact CG-CB 3.44Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 PolarHBondContact OD1-N 3.49Å; D99-R102 WeakPolarHBondContact OD2-CB 3.41Å; D99-R102 IonicContact OD2-CZ 3.52Å; D99-R102 IonicContact OD2-NE 2.8Å; D99-R102 PolarHBondContact OD2-NE 3.1Å; D99-R102 IonicContact OD2-NH2 2.9Å; R102-R104 PolarHBondContact O-N 3.42Å; R102-R105 PolarHBondContact O-N 2.77Å; R102-D106 WeakPolarHBondContact CG-OD2 3.44Å; R102-D106 PolarHBondContact O-N 2.87Å
103E75.1Confident69.1Low44 Ų44115.8 Ų115.821%0.20655%0.548CS..Hα-helixtrans-58.1-32.5173.9-71.5178.8-175.800113.2R98 D99 G107 V108R98-E103 WeakPolarHBondContact CG-OE1 3.28Å; R98-E103 IonicContact CZ-OE1 2.74Å; R98-E103 IonicContact CZ-OE2 3.53Å; R98-E103 VanDerWaalsContact NE-CD 3.31Å; R98-E103 IonicContact NE-OE1 3.94Å; R98-E103 PolarHBondContact NE-OE1 3.33Å; R98-E103 IonicContact NE-OE2 3.84Å; R98-E103 PolarHBondContact NE-OE2 3.29Å; R98-E103 IonicContact NH2-OE1 2.78Å; R98-E103 PolarHBondContact NH2-OE1 3.22Å; R98-E103 IonicContact NH2-OE2 3.01Å; R98-E103 PolarHBondContact NH2-OE2 3.19Å; D99-E103 PolarHBondContact O-N 2.81Å; D99-E103 VanDerWaalsContact O-N 3.11Å; E103-G107 PolarHBondContact O-N 3.36Å; E103-V108 PolarHBondContact O-N 3.33Å; E103-V108 VanDerWaalsContact O-N 3.15Å
104R70.4Confident68.3Low144 Ų144118 Ų11854%0.54356%0.555SS.*Hα-helixtrans-75.2-29173.4-74.3-174.8-174109.6-5.9113.9R100 A101 R102R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-NH1 3.24Å; A101-R104 PolarHBondContact O-N 3.09Å; R102-R104 PolarHBondContact O-N 3.42Å
105R77.3Confident67.5Low219 Ų219118.2 Ų118.283%0.82655%0.55SS*.Hα-helixtrans-78-39176.3-74.2-175.3-174.4164.72.7111.8A101 R102 G107A101-R105 PolarHBondContact O-N 2.82Å; R102-R105 PolarHBondContact O-N 2.77Å; R105-G107 VanDerWaalsContact C-N 3.28Å
106D77.4Confident66.7Low111 Ų111118 Ų11859%0.59455%0.549SS*.THydrogen-bonded Turntrans-85.1-3.6-179.1-62.4-22.9000112.4R102 V108R102-D106 WeakPolarHBondContact CG-OD2 3.44Å; R102-D106 PolarHBondContact O-N 2.87Å; D106-V108 HydrophobicContact CB-CG2 4.11Å; D106-V108 WeakPolarHBondContact O-CG2 3.48Å; D106-V108 PolarHBondContact O-N 3.21Å
107G64.3Low65.6Low64 Ų64115.9 Ų115.966%0.6655%0.545SS*.THydrogen-bonded Turntrans72.43.6177.400000114.7E103 R105 N109E103-G107 PolarHBondContact O-N 3.36Å; R105-G107 VanDerWaalsContact C-N 3.28Å; G107-N109 PolarHBondContact O-N 3.29Å; G107-N109 VanDerWaalsContact O-N 3.09Å
108V65.2Low64.9Low107 Ų107112.5 Ų112.565%0.64854%0.538SS*.  trans-86.836.4-177.2-161.90000111E103 D106 K110E103-V108 PolarHBondContact O-N 3.33Å; E103-V108 VanDerWaalsContact O-N 3.15Å; D106-V108 HydrophobicContact CB-CG2 4.11Å; D106-V108 WeakPolarHBondContact O-CG2 3.48Å; D106-V108 PolarHBondContact O-N 3.21Å; V108-K110 PolarHBondContact O-N 2.94Å
109N59.6Low64.2Low13 Ų13109.8 Ų109.87%0.0754%0.54CS..  trans-91.397.7-175.9-15220.2000109.8G107 D111 Y112G107-N109 PolarHBondContact O-N 3.29Å; G107-N109 VanDerWaalsContact O-N 3.09Å; N109-D111 PolarHBondContact O-N 3.11Å; N109-Y112 HydrophobicContact CB-CD2 4.23Å; N109-Y112 WeakPolarHBondContact ND2-CD2 3.46Å; N109-Y112 VanDerWaalsContact ND2-CE2 3.32Å; N109-Y112 WeakPolarHBondContact ND2-CE2 3.5Å; N109-Y112 PolarHBondContact O-N 2.99Å; N109-Y112 VanDerWaalsContact O-N 3.09Å
110K64.7Low63.5Low172 Ų172112.4 Ų112.475%0.74856%0.558SS**THydrogen-bonded Turntrans-57.4-21.3-176.4-146174.3-173.5179.50114.1V108 Y112V108-K110 PolarHBondContact O-N 2.94Å; K110-Y112 VanDerWaalsContact C-N 3.33Å
111D58.2Low62.4Low80 Ų80111.4 Ų111.443%0.42857%0.567SS.*THydrogen-bonded Turntrans-78.8-10.3-179-58-16.1000113.6R100 N109R100-D111 IonicContact CZ-OD2 3.51Å; R100-D111 IonicContact NE-OD2 3.48Å; R100-D111 IonicContact NH2-OD2 3.3Å; R100-D111 PolarHBondContact NH2-OD2 3.07Å; N109-D111 PolarHBondContact O-N 3.11Å
112Y56.3Low61.6Low121 Ų121112.4 Ų112.448%0.47558%0.575SS.*SBendtrans-103.6-12.7-177.6-86.4-96.1000114.9N109 K110 E114 T115 E116N109-Y112 HydrophobicContact CB-CD2 4.23Å; N109-Y112 WeakPolarHBondContact ND2-CD2 3.46Å; N109-Y112 VanDerWaalsContact ND2-CE2 3.32Å; N109-Y112 WeakPolarHBondContact ND2-CE2 3.5Å; N109-Y112 PolarHBondContact O-N 2.99Å; N109-Y112 VanDerWaalsContact O-N 3.09Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; Y112-E114 PolarHBondContact O-N 2.9Å; Y112-T115 WeakPolarHBondContact CA-OG1 3.14Å; Y112-T115 PolarHBondContact O-N 2.62Å; Y112-T115 PolarHBondContact O-OG1 2.93Å; Y112-E116 PolarHBondContact O-N 2.84Å
113E58.2Low60.2Low146 Ų146112.2 Ų112.268%0.68259%0.586SS**Hα-helixtrans-59.7-34.5177-73.3-157.2158.600111.9L117E113-L117 WeakPolarHBondContact O-CD1 3.5Å
114E52.9Low58.8Low159 Ų159121.1 Ų121.174%0.74362%0.619SS**Hα-helixtrans-73.9-30.4-179.2-163168.5-16000112.6Y112 I118Y112-E114 PolarHBondContact O-N 2.9Å; E114-I118 WeakPolarHBondContact O-CD1 3.49Å; E114-I118 WeakPolarHBondContact O-CG1 3.44Å
115T55.5Low57.4Low70 Ų70126 Ų12643%0.42964%0.638SS.*Hα-helixtrans-83-28.3-179.940.60000114.4Y112 L117 I118 S119Y112-T115 WeakPolarHBondContact CA-OG1 3.14Å; Y112-T115 PolarHBondContact O-N 2.62Å; Y112-T115 PolarHBondContact O-OG1 2.93Å; T115-L117 VanDerWaalsContact C-N 3.31Å; T115-L117 PolarHBondContact O-N 2.95Å; T115-I118 PolarHBondContact O-N 3.03Å; T115-S119 PolarHBondContact O-N 2.94Å
116E56.5Low55.7Low129 Ų129119.9 Ų119.960%0.60363%0.634SS**Hα-helixtrans-68.1-30.9175.4-77.6-72.3131.100111.8Y112 I118Y112-E116 PolarHBondContact O-N 2.84Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.18Å
117L54.8Low54Low133 Ų133121.8 Ų121.870%0.69665%0.65SS**Hα-helixtrans-68.3-28.4172-9385.5000113.2E113 T115 T120E113-L117 WeakPolarHBondContact O-CD1 3.5Å; T115-L117 VanDerWaalsContact C-N 3.31Å; T115-L117 PolarHBondContact O-N 2.95Å; L117-T120 PolarHBondContact O-OG1 3.5Å
118I55.9Low52.8Low110 Ų110122 Ų12256%0.56465%0.651SS**Hα-helixtrans-83.3-36.5-176.5-64.1166000111.1E114 T115 E116 T120 T121E114-I118 WeakPolarHBondContact O-CD1 3.49Å; E114-I118 WeakPolarHBondContact O-CG1 3.44Å; T115-I118 PolarHBondContact O-N 3.03Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.18Å; I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.39Å; I118-T121 PolarHBondContact O-N 2.96Å; I118-T121 PolarHBondContact O-OG1 2.91Å
119S57.2Low51.9Low79 Ų79123.3 Ų123.355%0.55266%0.662SS**Hα-helixtrans-64.9-31.9-177.1-168.70000113.8T115 T121T115-S119 PolarHBondContact O-N 2.94Å; S119-T121 PolarHBondContact O-N 3.43Å
120T54.9Low50.9Low114 Ų114129.4 Ų129.470%0.69970%0.7SS**THydrogen-bonded Turntrans-72.5-11.5-178.656.90000114.2L117 I118L117-T120 PolarHBondContact O-OG1 3.5Å; I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.39Å
121T53.4Low50.1Low111 Ų111125.9 Ų125.968%0.68170%0.703SS**THydrogen-bonded Turntrans-99.3-7.1-177.261.50000114.8I118 S119I118-T121 PolarHBondContact O-N 2.96Å; I118-T121 PolarHBondContact O-OG1 2.91Å; S119-T121 PolarHBondContact O-N 3.43Å
122A49.2Very low49.5Very low78 Ų78129.5 Ų129.565%0.64572%0.718SS**  trans-96.45.8-170.700000115.9Y124A122-Y124 PolarHBondContact O-N 3.42Å
123N48Very low49.2Very low152 Ų152128 Ų12881%0.81373%0.73SS**  trans-88.918.7-176.1-898.2000115.9
124Y44.5Very low48.8Very low231 Ų231129 Ų12991%0.90674%0.74SS**  trans-122.878.6174.9-87.6-87.9000112.3A122A122-Y124 PolarHBondContact O-N 3.42Å
125R42.1Very low48.9Very low246 Ų246128.7 Ų128.793%0.92874%0.736SS**  trans-156.6100.7149.2-152.2171.7-176.8-174.80.2112.2
126A41.6Very low48.7Very low92 Ų92128.5 Ų128.576%0.7674%0.738SS**  trans-74142.217300000112.4
127V41Very low48.9Very low151 Ų151126.4 Ų126.492%0.91574%0.743SS**  trans-167.7142131.2-85.40000108.9
128G39.6Very low49.2Very low67 Ų67122.6 Ų122.669%0.69173%0.731SS**  trans-82-179.1-154.500000118.8
129P46.6Very low49.7Very low135 Ų135122.2 Ų122.288%0.87773%0.726SS**  trans-88.2126.9-166.434.6-30.2000111.5
130T38.6Very low50.2Low141 Ų141125.8 Ų125.887%0.86573%0.732SS**  trans-101.3132.9169.150.10000110.9E132T130-E132 PolarHBondContact O-N 3.08Å
131A47.6Very low50.4Low99 Ų99128.9 Ų128.982%0.81873%0.731SS**SBendtrans-65.7108.2-175.500000113.3
132E44.3Very low51.2Low156 Ų156132.4 Ų132.473%0.72973%0.731SS**  trans-150.439.8155.9-91.6-83144.800107.4T130 K135T130-E132 PolarHBondContact O-N 3.08Å; E132-K135 IonicContact OE2-NZ 2.86Å
133A50.7Low52.1Low89 Ų89133.3 Ų133.374%0.73672%0.723SS**  trans-97.485.217700000108.5
134D50.3Low53.1Low166 Ų166131.9 Ų131.989%0.88871%0.714SS**  trans-169.335.8153.2-92.7-20000112.9S136D134-S136 PolarHBondContact O-N 3.38Å
135K54Low53.9Low153 Ų153124.7 Ų124.767%0.66569%0.691SS**SBendtrans-84.995.2162-72.4175.1-172.11620108.7E132E132-K135 IonicContact OE2-NZ 2.86Å
136S51.5Low55.1Low66 Ų66119.6 Ų119.646%0.46268%0.677SS.*  trans-22.9127.9-178.5-172.90000116.1D134 A138 E139 K140D134-S136 PolarHBondContact O-N 3.38Å; S136-A138 PolarHBondContact O-N 3.08Å; S136-A138 WeakPolarHBondContact OG-CB 3.27Å; S136-A138 PolarHBondContact OG-N 3.45Å; S136-E139 WeakPolarHBondContact O-CB 3.49Å; S136-E139 PolarHBondContact O-N 3.47Å; S136-K140 PolarHBondContact O-N 2.9Å
137A61.8Low56Low86 Ų86121.9 Ų121.971%0.71167%0.672SS**Hα-helixtrans-51.9-24.2168.600000113R141A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 PolarHBondContact O-N 2.75Å
138A59.8Low56.9Low53 Ų53118 Ų11844%0.43865%0.652SS.*Hα-helixtrans-73.6-29.6174.800000113.2S136 R142S136-A138 PolarHBondContact O-N 3.08Å; S136-A138 WeakPolarHBondContact OG-CB 3.27Å; S136-A138 PolarHBondContact OG-N 3.45Å; A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 VanDerWaalsContact O-CG 3.29Å; A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 3.15Å
139E67.4Low58.1Low102 Ų102123 Ų12348%0.47766%0.655SS.*Hα-helixtrans-79.5-40.1178.1-155.2170.7-156.400110.9S136 R141 R142 Q143S136-E139 WeakPolarHBondContact O-CB 3.49Å; S136-E139 PolarHBondContact O-N 3.47Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.44Å; E139-R142 PolarHBondContact O-N 2.98Å; E139-R142 VanDerWaalsContact O-N 3.16Å; E139-Q143 WeakPolarHBondContact O-CG 3.26Å; E139-Q143 PolarHBondContact O-N 2.94Å
140K66.4Low58.3Low154 Ų154126.1 Ų126.167%0.6766%0.655SS**Hα-helixtrans-57.2-43.5166-99.7179.3177.8171.90111.8S136 Q143 L144S136-K140 PolarHBondContact O-N 2.9Å; K140-Q143 PolarHBondContact O-N 3.18Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 PolarHBondContact O-N 3.41Å
141R60.2Low58.9Low178 Ų178123.1 Ų123.167%0.67263%0.633SS**Hα-helixtrans-65.5-37176.1-171.9173.9-177.8-100.60.9112.1A137 E139 I145A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 PolarHBondContact O-N 2.75Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.44Å; R141-I145 HydrophobicContact CG-CD1 3.84Å; R141-I145 VanDerWaalsContact O-CB 3.32Å; R141-I145 WeakPolarHBondContact O-CB 3.41Å; R141-I145 WeakPolarHBondContact O-CD1 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.23Å; R141-I145 PolarHBondContact O-N 2.97Å
142R70.1Confident59.3Low185 Ų185122 Ų12270%0.69863%0.631SS**Hα-helixtrans-70.2-37.7175.9-79.3177.6-177.7-144.51.9112.8A138 E139 I145 Q146A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 VanDerWaalsContact O-CG 3.29Å; A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 3.15Å; E139-R142 PolarHBondContact O-N 2.98Å; E139-R142 VanDerWaalsContact O-N 3.16Å; R142-I145 PolarHBondContact O-N 3.2Å; R142-Q146 WeakPolarHBondContact O-CB 3.27Å; R142-Q146 PolarHBondContact O-N 3.28Å
143Q68.6Low60.1Low98 Ų98117.7 Ų117.746%0.45863%0.628SS.*Hα-helixtrans-65.9-46.5174-73.8172.3-0.100110.9E139 K140 I145 Q146 E147E139-Q143 WeakPolarHBondContact O-CG 3.26Å; E139-Q143 PolarHBondContact O-N 2.94Å; K140-Q143 PolarHBondContact O-N 3.18Å; Q143-I145 VanDerWaalsContact C-N 3.28Å; Q143-I145 PolarHBondContact O-N 3.43Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-Q146 VanDerWaalsContact O-N 3.08Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.19Å
144L68.3Low60.1Low121 Ų121119.4 Ų119.463%0.63463%0.625SS**Hα-helixtrans-63.3-34.4177.3-142.9154000112.1K140 S148K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 PolarHBondContact O-N 3.41Å; L144-S148 WeakPolarHBondContact O-CB 3.39Å; L144-S148 PolarHBondContact O-N 3.47Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.44Å
145I61.6Low60.2Low81 Ų81120.3 Ų120.342%0.41563%0.626SS.*Hα-helixtrans-73.9-37.1173-69167.7000111.9R141 R142 Q143 S148 K149R141-I145 HydrophobicContact CG-CD1 3.84Å; R141-I145 VanDerWaalsContact O-CB 3.32Å; R141-I145 WeakPolarHBondContact O-CB 3.41Å; R141-I145 WeakPolarHBondContact O-CD1 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.23Å; R141-I145 PolarHBondContact O-N 2.97Å; R142-I145 PolarHBondContact O-N 3.2Å; Q143-I145 VanDerWaalsContact C-N 3.28Å; Q143-I145 PolarHBondContact O-N 3.43Å; I145-S148 WeakPolarHBondContact CA-OG 3.19Å; I145-S148 PolarHBondContact O-N 2.76Å; I145-S148 PolarHBondContact O-OG 3.05Å; I145-K149 VanDerWaalsContact O-CB 3.24Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 PolarHBondContact O-N 2.66Å
146Q66.2Low60.3Low139 Ų139121.2 Ų121.265%0.6563%0.633SS**Hα-helixtrans-69.2-40.8175.3-90.2-179-42.800112.3R142 Q143 S148 K149R142-Q146 WeakPolarHBondContact O-CB 3.27Å; R142-Q146 PolarHBondContact O-N 3.28Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-Q146 VanDerWaalsContact O-N 3.08Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.09Å; Q146-K149 PolarHBondContact O-N 3.46Å
147E61.3Low60.4Low140 Ų140123.2 Ų123.265%0.65463%0.634SS**Hα-helixtrans-65.2-30.9175.7-71.9170.7-178.200111.7Q143Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.19Å
148S59.6Low60Low69 Ų69121.8 Ų121.848%0.48362%0.617SS.*Hα-helixtrans-86.8-14.317353.10000114.5L144 I145 Q146 F150L144-S148 WeakPolarHBondContact O-CB 3.39Å; L144-S148 PolarHBondContact O-N 3.47Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.44Å; I145-S148 WeakPolarHBondContact CA-OG 3.19Å; I145-S148 PolarHBondContact O-N 2.76Å; I145-S148 PolarHBondContact O-OG 3.05Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.09Å; S148-F150 VanDerWaalsContact C-N 3.34Å; S148-F150 PolarHBondContact O-N 2.88Å
149K65.6Low60Low173 Ų173128.1 Ų128.175%0.75264%0.637SS**Hα-helixtrans-73.9-22.5-177.9-173.3174.3-179-175.50113.4I145 Q146I145-K149 VanDerWaalsContact O-CB 3.24Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 PolarHBondContact O-N 2.66Å; Q146-K149 PolarHBondContact O-N 3.46Å
150F50.9Low59.7Low199 Ų199128 Ų12887%0.87364%0.639SS**THydrogen-bonded Turntrans-107.615.6-179.6-125.5-94.5000113.5S148S148-F150 VanDerWaalsContact C-N 3.34Å; S148-F150 PolarHBondContact O-N 2.88Å
151L51Low59.4Low79 Ų79125.8 Ų125.841%0.41464%0.639SS.*  trans-113.238.7-172.6-143.774.5000112.4H157L151-H157 HydrophobicContact CD1-CB 3.25Å; L151-H157 HydrophobicContact CD2-CB 3.95Å; L151-H157 WeakPolarHBondContact CD2-O 3.32Å; L151-H157 HydrophobicContact CG-CB 3.37Å; L151-H157 VanDerWaalsContact CG-O 3.29Å; L151-H157 WeakPolarHBondContact CG-O 3.35Å
152G56.7Low59.6Low76 Ų76127.5 Ų127.578%0.78465%0.651SS**SBendtrans-133.689.8-17600000110.1
153G60.4Low59.6Low64 Ų64120.7 Ų120.766%0.6664%0.638SS**SBendtrans167.5-32.7171.200000115.6
154D50.8Low60Low126 Ų126119.9 Ų119.967%0.67464%0.637SS**SBendtrans-115.8140.6-172.6-68.4-27.4000112.6E156 H157 T158D154-E156 PolarHBondContact O-N 3.02Å; D154-H157 PolarHBondContact O-N 2.94Å; D154-H157 VanDerWaalsContact O-N 3.08Å; D154-T158 PolarHBondContact O-N 2.62Å
155M51.2Low60.2Low184 Ų184118.3 Ų118.391%0.90663%0.629SS**THydrogen-bonded Turntrans-51.2-24.2-172.4-70.6-176.46100114.6
156E57Low61.1Low173 Ų173121.1 Ų121.181%0.80864%0.638SS**THydrogen-bonded Turntrans-83.9-18.8-174.4-63.9-174.4155.100113.8D154D154-E156 PolarHBondContact O-N 3.02Å
157H52.9Low61.9Low107 Ų107117 Ų11750%0.49563%0.628SS.*THydrogen-bonded Turntrans-128.3-3.3-174.2-57.485.7000114.9L151 D154 H159L151-H157 HydrophobicContact CD1-CB 3.25Å; L151-H157 HydrophobicContact CD2-CB 3.95Å; L151-H157 WeakPolarHBondContact CD2-O 3.32Å; L151-H157 HydrophobicContact CG-CB 3.37Å; L151-H157 VanDerWaalsContact CG-O 3.29Å; L151-H157 WeakPolarHBondContact CG-O 3.35Å; D154-H157 PolarHBondContact O-N 2.94Å; D154-H157 VanDerWaalsContact O-N 3.08Å; H157-H159 PolarHBondContact O-N 3.39Å
158T54.8Low62.9Low57 Ų57114.4 Ų114.435%0.3562%0.618SS.*  trans-68.1112.4162.650.20000109.4D154 L160D154-T158 PolarHBondContact O-N 2.62Å; T158-L160 PolarHBondContact O-N 2.98Å
159H59.3Low64.1Low185 Ų185115.6 Ų115.686%0.85662%0.619SS**  trans-67.689.9161.6-118.878.9000107H157 V161H157-H159 PolarHBondContact O-N 3.39Å; H159-V161 PolarHBondContact O-N 2.62Å
160L61.6Low65.1Low100 Ų100113.3 Ų113.352%0.52461%0.611SS.*  trans-55.8109.4164.8-67.9173.8000105.6T158 K162T158-L160 PolarHBondContact O-N 2.98Å; L160-K162 PolarHBondContact O-N 2.85Å
161V59.4Low67.1Low108 Ų108110.5 Ų110.566%0.65560%0.598SS**  trans-54.6116.9178.4176.40000105.9H159 G163 L164H159-V161 PolarHBondContact O-N 2.62Å; V161-G163 PolarHBondContact O-N 2.86Å; V161-L164 HydrophobicContact CB-CB 4.43Å; V161-L164 WeakPolarHBondContact O-CB 2.63Å; V161-L164 PolarHBondContact O-N 3.31Å
162K64.9Low69Low213 Ų213110.1 Ų110.193%0.92660%0.599SS**THydrogen-bonded Turntrans-54.1112.8-177.3-90.2179.9175.8172.10108.9L160L160-K162 PolarHBondContact O-N 2.85Å
163G68.6Low70.8Confident42 Ų42114.4 Ų114.443%0.43359%0.592SS.*THydrogen-bonded Turntrans103.4-0.4-176.600000115.4V161 D165 F166 A167V161-G163 PolarHBondContact O-N 2.86Å; G163-D165 VanDerWaalsContact C-N 3.34Å; G163-F166 PolarHBondContact O-N 3.48Å; G163-A167 VanDerWaalsContact O-CB 3.28Å; G163-A167 WeakPolarHBondContact O-CB 3.07Å; G163-A167 PolarHBondContact O-N 3.45Å
164L78.9Confident72.1Confident81 Ų81113.9 Ų113.942%0.42458%0.581SS.*Hα-helixtrans-60.9-47.2165.8176.962.7000110V161 F166 A167 L168V161-L164 HydrophobicContact CB-CB 4.43Å; V161-L164 WeakPolarHBondContact O-CB 2.63Å; V161-L164 PolarHBondContact O-N 3.31Å; L164-F166 PolarHBondContact O-N 2.71Å; L164-A167 CarbonylContact O-C 3.55Å; L164-A167 PolarHBondContact O-N 3.42Å; L164-A167 VanDerWaalsContact O-N 3.16Å; L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.32Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.92Å
165D71Confident74Confident89 Ų89112.1 Ų112.148%0.47657%0.569SS.*Hα-helixtrans-62.9-34.7176.4-60.9-10.6000111.4G163 L169G163-D165 VanDerWaalsContact C-N 3.34Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 WeakPolarHBondContact O-CD1 3.5Å; D165-L169 WeakPolarHBondContact O-CG 3.43Å; D165-L169 PolarHBondContact O-N 2.76Å
166F80.3Confident75.7Confident139 Ų139107.4 Ų107.461%0.6155%0.546SS*.Hα-helixtrans-71.2-39.5175-169.4-95.2000111.9G163 L164 L169 Q170G163-F166 PolarHBondContact O-N 3.48Å; L164-F166 PolarHBondContact O-N 2.71Å; F166-L169 PolarHBondContact O-N 2.87Å; F166-Q170 WeakPolarHBondContact O-CB 3.28Å; F166-Q170 PolarHBondContact O-N 3.13Å
167A84Confident77.3Confident53 Ų53103.2 Ų103.244%0.43853%0.532SS..Hα-helixtrans-68.9-37.817500000111.7G163 L164 Q170 K171G163-A167 VanDerWaalsContact O-CB 3.28Å; G163-A167 WeakPolarHBondContact O-CB 3.07Å; G163-A167 PolarHBondContact O-N 3.45Å; L164-A167 CarbonylContact O-C 3.55Å; L164-A167 PolarHBondContact O-N 3.42Å; L164-A167 VanDerWaalsContact O-N 3.16Å; A167-Q170 PolarHBondContact O-N 2.81Å; A167-K171 VanDerWaalsContact O-CB 3.25Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.17Å
168L81.9Confident79.1Confident85 Ų85100.8 Ų100.845%0.44553%0.528SS..Hα-helixtrans-66.3-46.1172.1-81162.2000110.7L164 Q170 K171 V172L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.32Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.92Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.79Å; L168-K171 PolarHBondContact O-N 3.05Å; L168-V172 WeakPolarHBondContact O-CB 3.36Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.3Å
169L84.9Confident80.8Confident94 Ų94103.2 Ų103.249%0.49253%0.533SS..Hα-helixtrans-61.4-41.2173.9-82165.4000111.8D165 F166 V172 R173D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 WeakPolarHBondContact O-CD1 3.5Å; D165-L169 WeakPolarHBondContact O-CG 3.43Å; D165-L169 PolarHBondContact O-N 2.76Å; F166-L169 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact O-N 3.16Å; L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.35Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.48Å
170Q87.1Confident82Confident125 Ų12599.9 Ų99.958%0.58452%0.518SS*.Hα-helixtrans-67.1-37.8176.5-170.2174.1-2.600111.3F166 A167 L168 A174F166-Q170 WeakPolarHBondContact O-CB 3.28Å; F166-Q170 PolarHBondContact O-N 3.13Å; A167-Q170 PolarHBondContact O-N 2.81Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.79Å; Q170-A174 WeakPolarHBondContact O-CB 3.21Å; Q170-A174 PolarHBondContact O-N 3.4Å
171K92.1Very high83.2Confident140 Ų140101.3 Ų101.361%0.60952%0.52SS*.Hα-helixtrans-66.5-45.9173.6-177.4-179.1177.5-174.90111.7A167 L168 A174 E175A167-K171 VanDerWaalsContact O-CB 3.25Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.17Å; L168-K171 PolarHBondContact O-N 3.05Å; K171-A174 PolarHBondContact O-N 3.31Å; K171-E175 VanDerWaalsContact O-CB 3.25Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 PolarHBondContact O-N 2.76Å
172V91.8Very high84.2Confident71 Ų71101.4 Ų101.443%0.4351%0.513SS..Hα-helixtrans-66.3-42.1178.3170.40000110.5L168 L169 E175 I176L168-V172 WeakPolarHBondContact O-CB 3.36Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.3Å; L169-V172 PolarHBondContact O-N 3.16Å; V172-E175 PolarHBondContact O-N 2.8Å; V172-I176 HydrophobicContact CG1-CD1 3.83Å; V172-I176 HydrophobicContact CG1-CG1 4.44Å; V172-I176 WeakPolarHBondContact O-CB 3.24Å; V172-I176 VanDerWaalsContact O-CG1 3.23Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 2.83Å
173R93.1Very high84.9Confident167 Ų16796.4 Ų96.463%0.6349%0.493SS*.Hα-helixtrans-61.9-45.8172.6-75.7175.3176.6-171.6-2.3111.5L169 E175 I176 T177L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.35Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.48Å; R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 PolarHBondContact O-N 2.89Å; R173-I176 PolarHBondContact O-N 2.81Å; R173-T177 WeakPolarHBondContact O-CG2 3.36Å; R173-T177 PolarHBondContact O-N 3.5Å; R173-T177 PolarHBondContact O-OG1 2.76Å; R173-T177 VanDerWaalsContact O-OG1 3.12Å
174A87.9Confident85.3Confident53 Ų53100.6 Ų100.644%0.43850%0.502SS..Hα-helixtrans-61.6-40.9175.600000111.4Q170 K171 T177 S178Q170-A174 WeakPolarHBondContact O-CB 3.21Å; Q170-A174 PolarHBondContact O-N 3.4Å; K171-A174 PolarHBondContact O-N 3.31Å; A174-T177 WeakPolarHBondContact CA-OG1 3.45Å; A174-T177 PolarHBondContact O-N 3.08Å; A174-T177 PolarHBondContact O-OG1 3.11Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.97Å
175E91.5Very high85.1Confident89 Ų89100 Ų10042%0.41650%0.499SS..Hα-helixtrans-66-42.2177.6-168.2-176.815200112K171 V172 R173 S178 K179K171-E175 VanDerWaalsContact O-CB 3.25Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 PolarHBondContact O-N 2.76Å; V172-E175 PolarHBondContact O-N 2.8Å; R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 PolarHBondContact O-N 2.89Å; E175-S178 PolarHBondContact O-N 3.48Å; E175-K179 HydrophobicContact CG-CD 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.38Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.9Å
176I87.6Confident85.2Confident85 Ų85101.4 Ų101.444%0.43650%0.504SS..Hα-helixtrans-62.1-49.9174.4-68.8164.2000109.7V172 R173 S178 K179 E180V172-I176 HydrophobicContact CG1-CD1 3.83Å; V172-I176 HydrophobicContact CG1-CG1 4.44Å; V172-I176 WeakPolarHBondContact O-CB 3.24Å; V172-I176 VanDerWaalsContact O-CG1 3.23Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 2.83Å; R173-I176 PolarHBondContact O-N 2.81Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.95Å; I176-K179 PolarHBondContact O-N 3.07Å; I176-E180 HydrophobicContact CG2-CG 4.33Å; I176-E180 WeakPolarHBondContact O-CB 3.42Å; I176-E180 VanDerWaalsContact O-CG 3.32Å; I176-E180 WeakPolarHBondContact O-CG 3.32Å; I176-E180 PolarHBondContact O-N 3.14Å
177T89.6Confident84.5Confident84 Ų84100.2 Ų100.252%0.51550%0.502SS..Hα-helixtrans-65.4-31.917958.10000113.1R173 A174 K181R173-T177 WeakPolarHBondContact O-CG2 3.36Å; R173-T177 PolarHBondContact O-N 3.5Å; R173-T177 PolarHBondContact O-OG1 2.76Å; R173-T177 VanDerWaalsContact O-OG1 3.12Å; A174-T177 WeakPolarHBondContact CA-OG1 3.45Å; A174-T177 PolarHBondContact O-N 3.08Å; A174-T177 PolarHBondContact O-OG1 3.11Å; T177-K181 VanDerWaalsContact O-CB 3.26Å; T177-K181 WeakPolarHBondContact O-CB 3.49Å; T177-K181 PolarHBondContact O-N 3.45Å
178S90.6Very high83.8Confident56 Ų56102.9 Ų102.939%0.39251%0.505SS..Hα-helixtrans-70.1-44.6174.8-163.70000110.5A174 E175 I176 K181 E182A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.97Å; E175-S178 PolarHBondContact O-N 3.48Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.95Å; S178-K181 PolarHBondContact O-N 2.8Å; S178-E182 WeakPolarHBondContact O-CB 3.22Å; S178-E182 VanDerWaalsContact O-CG 3.26Å; S178-E182 WeakPolarHBondContact O-CG 3.19Å; S178-E182 PolarHBondContact O-N 2.84Å; S178-E182 PolarHBondContact OG-OE1 3.27Å; S178-E182 VanDerWaalsContact OG-OE1 3.1Å
179K90.2Very high83Confident109 Ų109105 Ų10547%0.47451%0.511SS..Hα-helixtrans-62.3-45.1175.1-87.1173.3171.5156.90111.8E175 I176 K181 E182 E183E175-K179 HydrophobicContact CG-CD 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.38Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.9Å; I176-K179 PolarHBondContact O-N 3.07Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K179-E182 PolarHBondContact O-N 3.47Å; K179-E183 WeakPolarHBondContact O-CB 3.36Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.8Å
180E85.1Confident81.8Confident114 Ų114104.7 Ų104.753%0.53351%0.512SS..Hα-helixtrans-61.3-41176.5-74.3174.8171.100111.6I176 E183 E184I176-E180 HydrophobicContact CG2-CG 4.33Å; I176-E180 WeakPolarHBondContact O-CB 3.42Å; I176-E180 VanDerWaalsContact O-CG 3.32Å; I176-E180 WeakPolarHBondContact O-CG 3.32Å; I176-E180 PolarHBondContact O-N 3.14Å; E180-E183 PolarHBondContact O-N 3.43Å; E180-E184 WeakPolarHBondContact O-CB 3.49Å; E180-E184 PolarHBondContact O-N 3.25Å
181K86.1Confident80.3Confident131 Ų131104 Ų10457%0.5751%0.509SS*.Hα-helixtrans-70-38.7176.1-171.6177.6-180-178.40112.5T177 S178 K179 E184 D185T177-K181 VanDerWaalsContact O-CB 3.26Å; T177-K181 WeakPolarHBondContact O-CB 3.49Å; T177-K181 PolarHBondContact O-N 3.45Å; S178-K181 PolarHBondContact O-N 2.8Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K181-E184 PolarHBondContact O-N 3.03Å; K181-D185 VanDerWaalsContact O-CB 3.32Å; K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.82Å
182E80.8Confident78.5Confident109 Ų109103.2 Ų103.251%0.50951%0.506SS..Hα-helixtrans-66.8-37.3174.4-76.9169.2-149.800111.6S178 K179 M186S178-E182 WeakPolarHBondContact O-CB 3.22Å; S178-E182 VanDerWaalsContact O-CG 3.26Å; S178-E182 WeakPolarHBondContact O-CG 3.19Å; S178-E182 PolarHBondContact O-N 2.84Å; S178-E182 PolarHBondContact OG-OE1 3.27Å; S178-E182 VanDerWaalsContact OG-OE1 3.1Å; K179-E182 PolarHBondContact O-N 3.47Å; E182-M186 VanDerWaalsContact O-CB 3.29Å; E182-M186 WeakPolarHBondContact O-CB 3.33Å; E182-M186 VanDerWaalsContact O-CG 3.32Å; E182-M186 WeakPolarHBondContact O-CG 3.33Å; E182-M186 PolarHBondContact O-N 2.78Å
183E79.3Confident76.6Confident109 Ų109105.8 Ų105.851%0.50951%0.513SS..Hα-helixtrans-68.3-39.4172.3-76.9179.7-173.700111.8K179 E180 M186 M187K179-E183 WeakPolarHBondContact O-CB 3.36Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.8Å; E180-E183 PolarHBondContact O-N 3.43Å; E183-M186 PolarHBondContact O-N 3.33Å; E183-M187 WeakPolarHBondContact O-CB 3.32Å; E183-M187 WeakPolarHBondContact O-CG 3.18Å; E183-M187 PolarHBondContact O-N 3.24Å
184E77.8Confident74.6Confident130 Ų130102 Ų10261%0.60751%0.509SS*.Hα-helixtrans-64.4-44.7172.8-169.9174.9-16500111E180 K181 M186 M187 E188E180-E184 WeakPolarHBondContact O-CB 3.49Å; E180-E184 PolarHBondContact O-N 3.25Å; K181-E184 PolarHBondContact O-N 3.03Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 2.83Å; E184-M187 PolarHBondContact O-N 3.24Å; E184-E188 WeakPolarHBondContact O-CB 3.22Å; E184-E188 PolarHBondContact O-N 3.4Å
185D74.7Confident72.8Confident67 Ų67106.8 Ų106.836%0.35852%0.52SS..Hα-helixtrans-66.4-34.7175.5-76.4-14.6000111.7K181 K189K181-D185 VanDerWaalsContact O-CB 3.32Å; K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.82Å; D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 WeakPolarHBondContact O-CG 3.27Å; D185-K189 PolarHBondContact O-N 2.81Å
186M73.2Confident70.5Confident119 Ų119110 Ų11059%0.58653%0.532SS*.Hα-helixtrans-69.8-43.6172.6-83-154.1-66.500111.5E182 E183 E184 E188 K189 V190E182-M186 VanDerWaalsContact O-CB 3.29Å; E182-M186 WeakPolarHBondContact O-CB 3.33Å; E182-M186 VanDerWaalsContact O-CG 3.32Å; E182-M186 WeakPolarHBondContact O-CG 3.33Å; E182-M186 PolarHBondContact O-N 2.78Å; E183-M186 PolarHBondContact O-N 3.33Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 2.83Å; M186-E188 VanDerWaalsContact C-N 3.32Å; M186-E188 PolarHBondContact O-N 3.48Å; M186-K189 PolarHBondContact O-N 3.38Å; M186-V190 WeakPolarHBondContact O-CB 3.19Å; M186-V190 VanDerWaalsContact O-CG2 3.24Å; M186-V190 WeakPolarHBondContact O-CG2 3.36Å; M186-V190 PolarHBondContact O-N 3.1Å
187M64.4Low68.3Low114 Ų114112.7 Ų112.756%0.56255%0.547SS*.Hα-helixtrans-65.2-36174.4-78.3-165.9-75.200111.6E183 E184 Q191E183-M187 WeakPolarHBondContact O-CB 3.32Å; E183-M187 WeakPolarHBondContact O-CG 3.18Å; E183-M187 PolarHBondContact O-N 3.24Å; E184-M187 PolarHBondContact O-N 3.24Å; M187-Q191 VanDerWaalsContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CG 3.44Å; M187-Q191 PolarHBondContact O-N 3.02Å
188E69.7Low66.3Low109 Ų109113.5 Ų113.551%0.50955%0.552SS.*Hα-helixtrans-67.7-42.4173.9-168.6-176.8170.700110.8E184 M186 Q191 K192E184-E188 WeakPolarHBondContact O-CB 3.22Å; E184-E188 PolarHBondContact O-N 3.4Å; M186-E188 VanDerWaalsContact C-N 3.32Å; M186-E188 PolarHBondContact O-N 3.48Å; E188-Q191 CarbonylContact O-C 3.58Å; E188-Q191 PolarHBondContact O-N 3.02Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 2.97Å
189K64.8Low64.2Low131 Ų131118.5 Ų118.557%0.5757%0.569SS**Hα-helixtrans-62.6-45.7174.3-77.4169.4-173.7172.40111.8D185 M186 Q191 K192 E193D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 WeakPolarHBondContact O-CG 3.27Å; D185-K189 PolarHBondContact O-N 2.81Å; M186-K189 PolarHBondContact O-N 3.38Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.9Å; K189-K192 CarbonylContact O-C 3.59Å; K189-K192 PolarHBondContact O-N 2.85Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 3.35Å; K189-E193 PolarHBondContact O-N 3.18Å
190V60.2Low62.4Low86 Ų86119 Ų11952%0.52158%0.584SS.*Hα-helixtrans-62.9-39.7174.9173.10000111.1M186 K192 E193 T194M186-V190 WeakPolarHBondContact O-CB 3.19Å; M186-V190 VanDerWaalsContact O-CG2 3.24Å; M186-V190 WeakPolarHBondContact O-CG2 3.36Å; M186-V190 PolarHBondContact O-N 3.1Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 2.9Å; V190-E193 PolarHBondContact O-N 2.9Å; V190-T194 HydrophobicContact CG1-CG2 4.46Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 VanDerWaalsContact O-CG2 3.23Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.09Å; V190-T194 PolarHBondContact O-OG1 3.26Å
191Q55.8Low61.1Low111 Ų111117 Ų11752%0.51958%0.575SS.*Hα-helixtrans-68.8-24.1172.9-75.8-179.133.200113.8M187 E188 K189 T194 K195M187-Q191 VanDerWaalsContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CG 3.44Å; M187-Q191 PolarHBondContact O-N 3.02Å; E188-Q191 CarbonylContact O-C 3.58Å; E188-Q191 PolarHBondContact O-N 3.02Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.9Å; Q191-T194 VanDerWaalsContact CA-OG1 3.22Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.32Å; Q191-T194 PolarHBondContact O-OG1 3.18Å; Q191-K195 VanDerWaalsContact O-CD 3.27Å; Q191-K195 WeakPolarHBondContact O-CD 3.32Å; Q191-K195 WeakPolarHBondContact O-CG 3.12Å
192K55.4Low59.8Low123 Ų123118.8 Ų118.854%0.53559%0.585SS.*Hα-helixtrans-88-29.2177.8-159.3170.9-170.9170.10111.7E188 K189 V190 K196E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 2.97Å; K189-K192 CarbonylContact O-C 3.59Å; K189-K192 PolarHBondContact O-N 2.85Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 2.9Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.34Å; K192-K196 PolarHBondContact O-N 3.15Å; K192-K196 VanDerWaalsContact O-N 3.16Å
193E50.7Low59Low126 Ų126122.9 Ų122.959%0.58960%0.601SS**Hα-helixtrans-76.7-44173.1-73.3-172.8178.700111.2K189 V190 K195 K196 D197K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 3.35Å; K189-E193 PolarHBondContact O-N 3.18Å; V190-E193 PolarHBondContact O-N 2.9Å; E193-K195 PolarHBondContact O-N 3.4Å; E193-K195 VanDerWaalsContact O-N 3.13Å; E193-K196 WeakPolarHBondContact O-CA 3.33Å; E193-K196 PolarHBondContact O-N 3.32Å; E193-D197 PolarHBondContact O-N 3.05Å
194T51.4Low59Low88 Ų88121.4 Ų121.454%0.5460%0.596SS.*THydrogen-bonded Turntrans-59.1-25.1169.548.80000113.5V190 Q191V190-T194 HydrophobicContact CG1-CG2 4.46Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 VanDerWaalsContact O-CG2 3.23Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.09Å; V190-T194 PolarHBondContact O-OG1 3.26Å; Q191-T194 VanDerWaalsContact CA-OG1 3.22Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.32Å; Q191-T194 PolarHBondContact O-OG1 3.18Å
195K49.6Very low59.3Low153 Ų153123.9 Ų123.967%0.66561%0.607SS**THydrogen-bonded Turntrans-86.9-16.1171.9-74.7173-173.5168.60114.2Q191 E193Q191-K195 VanDerWaalsContact O-CD 3.27Å; Q191-K195 WeakPolarHBondContact O-CD 3.32Å; Q191-K195 WeakPolarHBondContact O-CG 3.12Å; E193-K195 PolarHBondContact O-N 3.4Å; E193-K195 VanDerWaalsContact O-N 3.13Å
196K43.4Very low59.9Low155 Ų155122.9 Ų122.967%0.67460%0.6SS**THydrogen-bonded Turntrans-92.9-23.1178.2-84-179.3174.9-1740113.2K192 E193 V198K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.34Å; K192-K196 PolarHBondContact O-N 3.15Å; K192-K196 VanDerWaalsContact O-N 3.16Å; E193-K196 WeakPolarHBondContact O-CA 3.33Å; E193-K196 PolarHBondContact O-N 3.32Å; K196-V198 PolarHBondContact O-N 2.97Å
197D40.7Very low60.7Low142 Ų142127.3 Ų127.376%0.75962%0.616SS**SBendtrans-78.6-0.9173.7-71.4-24000113.9E193 E199E193-D197 PolarHBondContact O-N 3.05Å; D197-E199 PolarHBondContact O-N 3.11Å
198V49.3Very low62.2Low102 Ų102125.9 Ų125.962%0.61861%0.613SS**SBendtrans-78.177.7157.5-169.80000106.4K196K196-V198 PolarHBondContact O-N 2.97Å
199E46.7Very low63.1Low160 Ų160131 Ų13175%0.74863%0.628SS**  trans-34.4135.2161.1-168.4163.4-164.500108.2D197 E201D197-E199 PolarHBondContact O-N 3.11Å; E199-E201 PolarHBondContact O-N 3.3Å
200P51.5Low64.5Low119 Ų119130.5 Ų130.577%0.77363%0.631SS**  trans-61.594-177.126.2-33.6000107.4E202P200-E202 PolarHBondContact O-N 2.8Å
201E56.9Low66Low74 Ų74127.5 Ų127.535%0.34662%0.617SS.*  trans-48.7112.6172.9-82.3-170.5138.100104.1E199 K203 Y215 R220E199-E201 PolarHBondContact O-N 3.3Å; E201-K203 PolarHBondContact O-N 2.77Å; E201-Y215 PolarHBondContact OE1-OH 3.45Å; E201-R220 IonicContact OE1-NE 3.83Å; E201-R220 IonicContact OE2-CZ 3.55Å; E201-R220 IonicContact OE2-NE 2.66Å; E201-R220 PolarHBondContact OE2-NE 2.92Å; E201-R220 IonicContact OE2-NH2 3.11Å; E201-R220 PolarHBondContact OE2-NH2 3.33Å
202E60.3Low67.7Low168 Ų168128.3 Ų128.379%0.78562%0.616SS**  trans-38.9120.9162.9-71.5-179.7152.900105P200 I204P200-E202 PolarHBondContact O-N 2.8Å; E202-I204 WeakPolarHBondContact O-CG1 3.49Å; E202-I204 PolarHBondContact O-N 2.84Å
203K64.1Low69.4Low195 Ų195126.4 Ų126.485%0.84861%0.611SS**  trans-64.587.4-176.6-77.2175179.4173.30106.9E201 E205E201-K203 PolarHBondContact O-N 2.77Å; K203-E205 PolarHBondContact O-N 2.77Å
204I78.8Confident71.4Confident78 Ų78125.2 Ų125.240%0.461%0.608SS.*  trans-68.7109.8178.6-67160.1000105.3E202 F206 Y215E202-I204 WeakPolarHBondContact O-CG1 3.49Å; E202-I204 PolarHBondContact O-N 2.84Å; I204-F206 HydrophobicContact CB-CE2 4.18Å; I204-F206 HydrophobicContact CB-CZ 3.88Å; I204-F206 HydrophobicContact CG2-CD1 4.27Å; I204-F206 HydrophobicContact CG2-CE1 3.59Å; I204-F206 HydrophobicContact CG2-CE2 3.98Å; I204-F206 HydrophobicContact CG2-CZ 3.38Å; I204-F206 VanDerWaalsContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CE2 3.44Å; I204-F206 PolarHBondContact O-N 3.34Å; I204-Y215 HydrophobicContact CD1-CD2 4.39Å; I204-Y215 HydrophobicContact CD1-CE2 3.5Å
205E84.3Confident73.2Confident181 Ų181122.7 Ų122.785%0.84659%0.589SS**  trans-80.9115.1176.4-68.7-171.7172.300109.7K203K203-E205 PolarHBondContact O-N 2.77Å
206F87.2Confident75Confident46 Ų46122.1 Ų122.120%0.20258%0.582CS.*  trans-88.7117.5177.1-59.7-78.9000110.8I204 T208 R212 Y215I204-F206 HydrophobicContact CB-CE2 4.18Å; I204-F206 HydrophobicContact CB-CZ 3.88Å; I204-F206 HydrophobicContact CG2-CD1 4.27Å; I204-F206 HydrophobicContact CG2-CE1 3.59Å; I204-F206 HydrophobicContact CG2-CE2 3.98Å; I204-F206 HydrophobicContact CG2-CZ 3.38Å; I204-F206 VanDerWaalsContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CE2 3.44Å; I204-F206 PolarHBondContact O-N 3.34Å; F206-T208 VanDerWaalsContact C-N 3.32Å; F206-R212 HydrophobicContact CB-CB 3.71Å; F206-R212 HydrophobicContact CB-CG 4.34Å; F206-R212 HydrophobicContact CD1-CB 4.46Å; F206-R212 HydrophobicContact CD2-CB 3.9Å; F206-R212 HydrophobicContact CD2-CG 3.76Å; F206-R212 HydrophobicContact CE2-CG 4.44Å; F206-R212 HydrophobicContact CG-CB 3.74Å; F206-R212 HydrophobicContact CG-CG 4.15Å; F206-Y215 VanDerWaalsContact CE1-CB 3.4Å; F206-Y215 HydrophobicContact CE1-CD1 4.32Å; F206-Y215 HydrophobicContact CE1-CD2 4.03Å; F206-Y215 AromaticContact CE1-CG 3.68Å; F206-Y215 HydrophobicContact CE1-CG 3.68Å; F206-Y215 AromaticContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CE1 4.43Å; F206-Y215 HydrophobicContact CE2-CG 4.03Å; F206-Y215 AromaticContact CZ-CD1 3.35Å; F206-Y215 HydrophobicContact CZ-CD1 3.35Å; F206-Y215 AromaticContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CE1 4.04Å; F206-Y215 HydrophobicContact CZ-CE2 4.26Å; F206-Y215 AromaticContact CZ-CG 3.12Å; F206-Y215 HydrophobicContact CZ-CG 3.12Å
207K89.9Confident77.1Confident212 Ų212119.6 Ų119.692%0.92258%0.58SS**SBendtrans-67.1-30.2172.4-64.8-177.3179.3179.20112.9
208T94.9Very high79.3Confident84 Ų84115.8 Ų115.852%0.51557%0.568SS.*SBendtrans-116.8147.4-17866.10000112F206 L210 G211 R212F206-T208 VanDerWaalsContact C-N 3.32Å; T208-L210 VanDerWaalsContact C-N 3.29Å; T208-L210 PolarHBondContact O-N 3.34Å; T208-G211 PolarHBondContact O-N 2.9Å; T208-G211 PolarHBondContact OG1-N 3.12Å; T208-G211 VanDerWaalsContact OG1-N 3.08Å; T208-R212 PolarHBondContact O-N 2.93Å
209R90.3Very high80.8Confident218 Ų218118 Ų11882%0.82357%0.57SS**Hα-helixtrans-64.1-36.7174.5-61.9-17988-175.36.5111.3R212 N213R209-R212 PolarHBondContact O-N 3.36Å; R209-N213 VanDerWaalsContact O-CG 3.27Å; R209-N213 PolarHBondContact O-N 3.21Å; R209-N213 VanDerWaalsContact O-N 3.09Å
210L94Very high82.1Confident119 Ų119117.1 Ų117.162%0.62356%0.56SS**Hα-helixtrans-64.3-47.4177.3-176.562.8000111.5T208 R212 N213 I214T208-L210 VanDerWaalsContact C-N 3.29Å; T208-L210 PolarHBondContact O-N 3.34Å; L210-R212 VanDerWaalsContact C-N 3.31Å; L210-R212 PolarHBondContact O-N 3.38Å; L210-N213 PolarHBondContact O-N 2.82Å; L210-N213 VanDerWaalsContact O-N 3.08Å; L210-I214 HydrophobicContact CD1-CD1 4.22Å; L210-I214 HydrophobicContact CD1-CG1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 HydrophobicContact CG-CG1 4.47Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 2.98Å
211G91.9Very high83.2Confident23 Ų23114.5 Ų114.524%0.23754%0.544CS..Hα-helixtrans-60.2-40.6177.700000112.6T208 N213 I214 Y215T208-G211 PolarHBondContact O-N 2.9Å; T208-G211 PolarHBondContact OG1-N 3.12Å; T208-G211 VanDerWaalsContact OG1-N 3.08Å; G211-N213 VanDerWaalsContact C-N 3.32Å; G211-N213 PolarHBondContact O-N 3.44Å; G211-I214 PolarHBondContact O-N 3.22Å; G211-Y215 WeakPolarHBondContact O-CB 3.25Å; G211-Y215 PolarHBondContact O-N 3.22Å
212R91.1Very high83.9Confident128 Ų128113.7 Ų113.748%0.48356%0.556SS.*Hα-helixtrans-60.6-40.6173.8-169.2179.4-61.8-178.41.5112.5F206 T208 R209 L210 R216F206-R212 HydrophobicContact CB-CB 3.71Å; F206-R212 HydrophobicContact CB-CG 4.34Å; F206-R212 HydrophobicContact CD1-CB 4.46Å; F206-R212 HydrophobicContact CD2-CB 3.9Å; F206-R212 HydrophobicContact CD2-CG 3.76Å; F206-R212 HydrophobicContact CE2-CG 4.44Å; F206-R212 HydrophobicContact CG-CB 3.74Å; F206-R212 HydrophobicContact CG-CG 4.15Å; T208-R212 PolarHBondContact O-N 2.93Å; R209-R212 PolarHBondContact O-N 3.36Å; L210-R212 VanDerWaalsContact C-N 3.31Å; L210-R212 PolarHBondContact O-N 3.38Å; R212-R216 WeakPolarHBondContact O-CB 3.24Å; R212-R216 PolarHBondContact O-N 3.31Å
213N91.4Very high84.6Confident83 Ų83112.3 Ų112.344%0.44456%0.558SS.*Hα-helixtrans-72-42.2-179.5-71.2-10.9000111.6R209 L210 G211 R216 V217R209-N213 VanDerWaalsContact O-CG 3.27Å; R209-N213 PolarHBondContact O-N 3.21Å; R209-N213 VanDerWaalsContact O-N 3.09Å; L210-N213 PolarHBondContact O-N 2.82Å; L210-N213 VanDerWaalsContact O-N 3.08Å; G211-N213 VanDerWaalsContact C-N 3.32Å; G211-N213 PolarHBondContact O-N 3.44Å; N213-R216 PolarHBondContact O-N 3.5Å; N213-V217 WeakPolarHBondContact O-CG2 3.38Å; N213-V217 PolarHBondContact O-N 3.04Å
214I91.9Very high85.2Confident101 Ų101110.5 Ų110.552%0.51855%0.553SS.*Hα-helixtrans-60.8-47.8175.5-66.4168.6000109.9L210 G211 R216 V217 A218L210-I214 HydrophobicContact CD1-CD1 4.22Å; L210-I214 HydrophobicContact CD1-CG1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 HydrophobicContact CG-CG1 4.47Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 2.98Å; G211-I214 PolarHBondContact O-N 3.22Å; I214-R216 VanDerWaalsContact C-N 3.31Å; I214-R216 PolarHBondContact O-N 3.4Å; I214-V217 PolarHBondContact O-N 3.31Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.47Å
215Y89.8Confident85.2Confident36 Ų36116.1 Ų116.114%0.14158%0.578CS.*Hα-helixtrans-60-42.8177.4-179.5-92.8000112.1E201 I204 F206 G211 V217 A218 F219 R220E201-Y215 PolarHBondContact OE1-OH 3.45Å; I204-Y215 HydrophobicContact CD1-CD2 4.39Å; I204-Y215 HydrophobicContact CD1-CE2 3.5Å; F206-Y215 VanDerWaalsContact CE1-CB 3.4Å; F206-Y215 HydrophobicContact CE1-CD1 4.32Å; F206-Y215 HydrophobicContact CE1-CD2 4.03Å; F206-Y215 AromaticContact CE1-CG 3.68Å; F206-Y215 HydrophobicContact CE1-CG 3.68Å; F206-Y215 AromaticContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CE1 4.43Å; F206-Y215 HydrophobicContact CE2-CG 4.03Å; F206-Y215 AromaticContact CZ-CD1 3.35Å; F206-Y215 HydrophobicContact CZ-CD1 3.35Å; F206-Y215 AromaticContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CE1 4.04Å; F206-Y215 HydrophobicContact CZ-CE2 4.26Å; F206-Y215 AromaticContact CZ-CG 3.12Å; F206-Y215 HydrophobicContact CZ-CG 3.12Å; G211-Y215 WeakPolarHBondContact O-CB 3.25Å; G211-Y215 PolarHBondContact O-N 3.22Å; Y215-V217 VanDerWaalsContact C-N 3.32Å; Y215-V217 PolarHBondContact O-N 2.99Å; Y215-A218 PolarHBondContact O-N 3.41Å; Y215-F219 HydrophobicContact CD2-CB 4.33Å; Y215-F219 AromaticContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CE2 4.2Å; Y215-F219 HydrophobicContact CD2-CG 4.19Å; Y215-F219 HydrophobicContact CE2-CB 4.07Å; Y215-F219 AromaticContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CG 4.09Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 WeakPolarHBondContact O-CB 3.41Å; Y215-F219 PolarHBondContact O-N 2.98Å; Y215-R220 HydrophobicContact CD1-CG 4.38Å; Y215-R220 HydrophobicContact CE1-CG 3.96Å; Y215-R220 PolarHBondContact O-N 3.04Å
216R86.6Confident85.3Confident140 Ų140117.7 Ų117.753%0.52858%0.576SS.*Hα-helixtrans-59.6-42.8176.5-177.7-175.9-68.1172.5-4.8112.1R212 N213 I214 R220 S221R212-R216 WeakPolarHBondContact O-CB 3.24Å; R212-R216 PolarHBondContact O-N 3.31Å; N213-R216 PolarHBondContact O-N 3.5Å; I214-R216 VanDerWaalsContact C-N 3.31Å; I214-R216 PolarHBondContact O-N 3.4Å; R216-R220 HydrophobicContact CG-CB 4.43Å; R216-R220 CarbonylContact O-C 3.55Å; R216-R220 VanDerWaalsContact O-C 3.26Å; R216-R220 WeakPolarHBondContact O-CA 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.42Å; R216-R220 PolarHBondContact O-N 3.1Å; R216-S221 PolarHBondContact O-N 3.2Å
217V87.3Confident85.3Confident102 Ų102119.6 Ų119.662%0.61859%0.588SS**Hα-helixtrans-74.7-43.7-178.9173.50000111.3N213 I214 Y215 S221N213-V217 WeakPolarHBondContact O-CG2 3.38Å; N213-V217 PolarHBondContact O-N 3.04Å; I214-V217 PolarHBondContact O-N 3.31Å; Y215-V217 VanDerWaalsContact C-N 3.32Å; Y215-V217 PolarHBondContact O-N 2.99Å; V217-S221 WeakPolarHBondContact O-CB 3.23Å; V217-S221 PolarHBondContact O-OG 3.24Å
218A86.2Confident85.2Confident62 Ų62113.7 Ų113.751%0.51256%0.564SS.*Hα-helixtrans-76.5-37-174.100000113.5I214 Y215I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.47Å; Y215-A218 PolarHBondContact O-N 3.41Å
219F82.4Confident84.9Confident150 Ų150112.1 Ų112.166%0.65855%0.552SS**THydrogen-bonded Turntrans-117.8-27.3-170.1-59.8-79.3000113.7Y215Y215-F219 HydrophobicContact CD2-CB 4.33Å; Y215-F219 AromaticContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CE2 4.2Å; Y215-F219 HydrophobicContact CD2-CG 4.19Å; Y215-F219 HydrophobicContact CE2-CB 4.07Å; Y215-F219 AromaticContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CG 4.09Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 WeakPolarHBondContact O-CB 3.41Å; Y215-F219 PolarHBondContact O-N 2.98Å
220R74.2Confident84.9Confident141 Ų141108.9 Ų108.953%0.53254%0.544SS..SBendtrans-101.9-6.1177.6-63.3-169173.91775.1114.5E201 Y215 R216 G222E201-R220 IonicContact OE1-NE 3.83Å; E201-R220 IonicContact OE2-CZ 3.55Å; E201-R220 IonicContact OE2-NE 2.66Å; E201-R220 PolarHBondContact OE2-NE 2.92Å; E201-R220 IonicContact OE2-NH2 3.11Å; E201-R220 PolarHBondContact OE2-NH2 3.33Å; Y215-R220 HydrophobicContact CD1-CG 4.38Å; Y215-R220 HydrophobicContact CE1-CG 3.96Å; Y215-R220 PolarHBondContact O-N 3.04Å; R216-R220 HydrophobicContact CG-CB 4.43Å; R216-R220 CarbonylContact O-C 3.55Å; R216-R220 VanDerWaalsContact O-C 3.26Å; R216-R220 WeakPolarHBondContact O-CA 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.42Å; R216-R220 PolarHBondContact O-N 3.1Å; R220-G222 PolarHBondContact O-N 3.08Å
221S73.6Confident84.6Confident64 Ų64106.2 Ų106.245%0.44853%0.53SS..SBendtrans-75.5106.7162.695.50000105.3R216 V217R216-S221 PolarHBondContact O-N 3.2Å; V217-S221 WeakPolarHBondContact O-CB 3.23Å; V217-S221 PolarHBondContact O-OG 3.24Å
222G72.7Confident84.4Confident57 Ų57107.7 Ų107.759%0.58854%0.536SS*.PPolyproline II helixtrans-52.4158.1173.400000110.6R220 Q224R220-G222 PolarHBondContact O-N 3.08Å; G222-Q224 PolarHBondContact O-N 2.79Å
223V74Confident84.2Confident139 Ų139103.9 Ų103.984%0.84254%0.536SS*.PPolyproline II helixtrans-51117.3172.7-178.80000107.4E225V223-E225 PolarHBondContact O-N 3.46Å; V223-E225 VanDerWaalsContact O-N 3.15Å
224Q75.8Confident84.2Confident157 Ų157101.4 Ų101.473%0.73452%0.52SS*.PPolyproline II helixtrans-60.7122.8178.9-69.8-176.9-30.700108.2G222 R226G222-Q224 PolarHBondContact O-N 2.79Å; Q224-R226 PolarHBondContact O-N 3.45Å
225E79.9Confident84.3Confident196 Ų19698.8 Ų98.892%0.91651%0.506SS*.  trans-59.4113.2172.3-69.7-176.1174.300108.2V223V223-E225 PolarHBondContact O-N 3.46Å; V223-E225 VanDerWaalsContact O-N 3.15Å
226R85.4Confident84.5Confident214 Ų21498.9 Ų98.981%0.80851%0.514SS*.  trans-84.9125.4176.5-68.9-166.9173.3107-0.1108.1Q224 E228Q224-R226 PolarHBondContact O-N 3.45Å; R226-E228 PolarHBondContact O-N 3.16Å
227N88.7Confident84.7Confident86 Ų8698.9 Ų98.946%0.4652%0.515SS..  trans-67110.6171.5-179.6-1.1000109.2L229 F230N227-L229 PolarHBondContact O-N 3.46Å; N227-L229 WeakPolarHBondContact OD1-CB 3.26Å; N227-L229 WeakPolarHBondContact OD1-CG 3.26Å; N227-L229 PolarHBondContact OD1-N 3.48Å; N227-F230 HydrophobicContact CB-CD2 3.75Å; N227-F230 HydrophobicContact CB-CE2 3.97Å; N227-F230 VanDerWaalsContact ND2-CE2 3.35Å; N227-F230 WeakPolarHBondContact ND2-CE2 3.49Å; N227-F230 PolarHBondContact O-N 3.24Å
228E87.8Confident84.9Confident87 Ų8796.5 Ų96.541%0.40750%0.501SS..G310 helixtrans-56.6-27.1178.8-102.2-174.8-156.300116.1R226 F230 L231 R234 K258R226-E228 PolarHBondContact O-N 3.16Å; E228-F230 PolarHBondContact O-N 2.83Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 VanDerWaalsContact O-CG 3.26Å; E228-L231 WeakPolarHBondContact O-CG 3.5Å; E228-L231 PolarHBondContact O-N 2.85Å; E228-R234 WeakPolarHBondContact O-CD 3.29Å; E228-R234 PolarHBondContact O-NH1 2.75Å; E228-R234 VanDerWaalsContact O-NH1 3.11Å; E228-R234 IonicContact OE2-CZ 3.58Å; E228-R234 IonicContact OE2-NH1 2.95Å; E228-R234 PolarHBondContact OE2-NH1 2.95Å; E228-R234 IonicContact OE2-NH2 3.24Å; E228-R234 PolarHBondContact OE2-NH2 3.48Å; E228-K258 VanDerWaalsContact OE1-CE 3.28Å; E228-K258 WeakPolarHBondContact OE1-CE 3.34Å; E228-K258 IonicContact OE1-NZ 2.62Å; E228-K258 PolarHBondContact OE1-NZ 2.78Å; E228-K258 WeakPolarHBondContact OE2-CE 3.25Å; E228-K258 IonicContact OE2-NZ 2.9Å; E228-K258 PolarHBondContact OE2-NZ 2.82Å
229L88.6Confident85.1Confident52 Ų5298 Ų9827%0.27250%0.504SS..G310 helixtrans-65.4-24.6177.5-65.5175.5000112.3N227 L231 M235 I255N227-L229 PolarHBondContact O-N 3.46Å; N227-L229 WeakPolarHBondContact OD1-CB 3.26Å; N227-L229 WeakPolarHBondContact OD1-CG 3.26Å; N227-L229 PolarHBondContact OD1-N 3.48Å; L229-L231 PolarHBondContact O-N 2.79Å; L229-M235 HydrophobicContact CB-CB 4.37Å; L229-M235 HydrophobicContact CB-SD 4.12Å; L229-M235 HydrophobicContact CD1-SD 4.34Å; L229-M235 WeakPolarHBondContact O-CB 3.46Å; L229-M235 PolarHBondContact O-N 2.9Å; L229-I255 HydrophobicContact CD2-CD1 4.06Å; L229-I255 HydrophobicContact CD2-CG1 4.4Å; L229-I255 HydrophobicContact CD2-CG2 3.88Å
230F89.4Confident85.2Confident149 Ų14995.1 Ų95.165%0.65450%0.495SS*.G310 helixtrans-86.410.9176.8-59.6-65.7000113.5N227 E228 M235N227-F230 HydrophobicContact CB-CD2 3.75Å; N227-F230 HydrophobicContact CB-CE2 3.97Å; N227-F230 VanDerWaalsContact ND2-CE2 3.35Å; N227-F230 WeakPolarHBondContact ND2-CE2 3.49Å; N227-F230 PolarHBondContact O-N 3.24Å; E228-F230 PolarHBondContact O-N 2.83Å; F230-M235 HydrophobicContact CD1-CE 4.01Å; F230-M235 HydrophobicContact CE1-CE 3.59Å; F230-M235 HydrophobicContact CZ-CE 4.29Å
231L87.6Confident85.6Confident63 Ų6395.5 Ų95.533%0.3351%0.507SS..SBendtrans-58.2139.5166.5-75.4174.4000109.5E228 L229 G233 R234E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 VanDerWaalsContact O-CG 3.26Å; E228-L231 WeakPolarHBondContact O-CG 3.5Å; E228-L231 PolarHBondContact O-N 2.85Å; L229-L231 PolarHBondContact O-N 2.79Å; L231-G233 PolarHBondContact O-N 3.43Å; L231-G233 VanDerWaalsContact O-N 3.13Å; L231-R234 HydrophobicContact CB-CB 3.94Å; L231-R234 WeakPolarHBondContact O-CB 3.34Å; L231-R234 PolarHBondContact O-N 3.17Å
232P88Confident85.9Confident55 Ų5599.9 Ų99.936%0.35753%0.526SS..THydrogen-bonded Turntrans-51.5122.7179.7-27.735.1000111.4R234P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 3.47Å
233G86.6Confident85.8Confident47 Ų47101.9 Ų101.949%0.48552%0.523SS..THydrogen-bonded Turntrans77.81.3179.200000116L231 R256L231-G233 PolarHBondContact O-N 3.43Å; L231-G233 VanDerWaalsContact O-N 3.13Å; G233-R256 VanDerWaalsContact O-CD 3.28Å; G233-R256 WeakPolarHBondContact O-CD 3.33Å
234R92.1Very high85.6Confident32 Ų32103.2 Ų103.212%0.12152%0.52CS..THydrogen-bonded Turntrans-78.7-54.4-179.1-165178179.8177.9-9.9113.2E228 L231 P232 I255 R256 C261E228-R234 WeakPolarHBondContact O-CD 3.29Å; E228-R234 PolarHBondContact O-NH1 2.75Å; E228-R234 VanDerWaalsContact O-NH1 3.11Å; E228-R234 IonicContact OE2-CZ 3.58Å; E228-R234 IonicContact OE2-NH1 2.95Å; E228-R234 PolarHBondContact OE2-NH1 2.95Å; E228-R234 IonicContact OE2-NH2 3.24Å; E228-R234 PolarHBondContact OE2-NH2 3.48Å; L231-R234 HydrophobicContact CB-CB 3.94Å; L231-R234 WeakPolarHBondContact O-CB 3.34Å; L231-R234 PolarHBondContact O-N 3.17Å; P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 3.47Å; R234-I255 HydrophobicContact CG-CG2 4.5Å; R234-I255 CarbonylContact O-C 3.51Å; R234-I255 WeakPolarHBondContact O-CA 3.36Å; R234-R256 WeakPolarHBondContact CG-O 3.43Å; R234-R256 PolarHBondContact O-N 2.91Å; R234-C261 WeakPolarHBondContact CA-SG 3.1Å; R234-C261 VanDerWaalsContact CB-SG 3.52Å
235M93.8Very high85Confident45 Ų45104.9 Ų104.922%0.22253%0.525CS..EExtended strand (participates in β ladder)trans-102.8126.5176.9-171.5170.967.700109.9L229 F230 T253 L254L229-M235 HydrophobicContact CB-CB 4.37Å; L229-M235 HydrophobicContact CB-SD 4.12Å; L229-M235 HydrophobicContact CD1-SD 4.34Å; L229-M235 WeakPolarHBondContact O-CB 3.46Å; L229-M235 PolarHBondContact O-N 2.9Å; F230-M235 HydrophobicContact CD1-CE 4.01Å; F230-M235 HydrophobicContact CE1-CE 3.59Å; F230-M235 HydrophobicContact CZ-CE 4.29Å; M235-T253 HydrophobicContact CG-CG2 3.73Å; M235-T253 HydrophobicContact SD-CG2 4.08Å; M235-L254 CarbonylContact C-O 3.56Å; M235-L254 WeakPolarHBondContact CA-O 3.22Å
236A92.9Very high84.3Confident38 Ų3898.4 Ų98.431%0.31450%0.499SS..EExtended strand (participates in β ladder)trans-133.3156.6176.200000110.1T253 L254A236-T253 CarbonylContact O-C 3.26Å; A236-L254 HydrophobicContact CB-CB 4.47Å; A236-L254 PolarHBondContact N-O 3.31Å; A236-L254 PolarHBondContact O-N 3.35Å
237Y92.7Very high83.4Confident140 Ų14095.5 Ų95.555%0.54950%0.499SS..EExtended strand (participates in β ladder)trans-112.8126.2176-65.1-73.2000108.6P251 T252 T253Y237-P251 HydrophobicContact CD1-CB 4.26Å; Y237-P251 HydrophobicContact CD1-CG 3.98Å; Y237-P251 HydrophobicContact CG-CG 4.39Å; Y237-T252 WeakPolarHBondContact CA-O 3.19Å; Y237-T253 HydrophobicContact CD1-CG2 4.4Å; Y237-T253 HydrophobicContact CE1-CG2 4Å; Y237-T253 VanDerWaalsContact CE1-OG1 3.27Å; Y237-T253 WeakPolarHBondContact CE1-OG1 3.21Å
238V90.8Very high82.4Confident52 Ų5295.9 Ų95.932%0.31551%0.505SS..EExtended strand (participates in β ladder)trans-105.7122.7173.9177.50000107.8T252 L254V238-T252 PolarHBondContact N-O 3.31Å; V238-T252 PolarHBondContact O-N 3.08Å; V238-L254 HydrophobicContact CB-CD1 4.47Å; V238-L254 HydrophobicContact CG2-CD1 3.28Å; V238-L254 HydrophobicContact CG2-CG 3.68Å
239V89.5Confident81.9Confident94 Ų9499.5 Ų99.557%0.5753%0.527SS*.  trans-106.9112.6175.8-176.70000105.8L241 P251V239-L241 HydrophobicContact CG1-CD2 3.72Å; V239-L241 HydrophobicContact CG1-CG 4.46Å; V239-P251 HydrophobicContact CG2-CB 3.93Å
240D85.3Confident81.7Confident89 Ų89103.3 Ų103.348%0.47655%0.546SS..  trans-81.9116.3174-62.7-40.2000107.7
241L83.1Confident81.7Confident149 Ų14998.6 Ų98.678%0.7853%0.531SS*.SBendtrans-94.8-11.6-176.5-61176.2000112.7V239V239-L241 HydrophobicContact CG1-CD2 3.72Å; V239-L241 HydrophobicContact CG1-CG 4.46Å
242D78.7Confident81.8Confident157 Ų15799.2 Ų99.284%0.8454%0.537SS*.SBendtrans-100-16.6-171.3-62.6-41.8000113.2E244D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.1Å
243D72.1Confident82Confident98 Ų9899.8 Ų99.852%0.52454%0.54SS..  trans-80.792.9178.3-93.1-10.1000110.1F245 T246D243-F245 PolarHBondContact O-N 3.26Å; D243-T246 HydrophobicContact CB-CG2 3.74Å; D243-T246 VanDerWaalsContact CB-OG1 3.23Å; D243-T246 WeakPolarHBondContact CB-OG1 3.2Å; D243-T246 PolarHBondContact O-N 3.39Å; D243-T246 VanDerWaalsContact O-N 3.07Å; D243-T246 PolarHBondContact O-OG1 2.99Å; D243-T246 VanDerWaalsContact O-OG1 3.09Å
244E68.8Low82.3Confident168 Ų168101.2 Ų101.279%0.78554%0.536SS*.THydrogen-bonded Turntrans-60.7-3.1171.1-163.5171.2-164.300113.1D242D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.1Å
245F63.5Low82.3Confident191 Ų191104.6 Ų104.684%0.83856%0.555SS**THydrogen-bonded Turntrans-113.8-0.8177.9-71.4-84.9000114.2D243 D247D243-F245 PolarHBondContact O-N 3.26Å; F245-D247 PolarHBondContact O-N 2.85Å
246T65.3Low82.2Confident60 Ų60109.4 Ų109.437%0.36857%0.571SS.*  trans-98.467170.2570000109.8D243 T248D243-T246 HydrophobicContact CB-CG2 3.74Å; D243-T246 VanDerWaalsContact CB-OG1 3.23Å; D243-T246 WeakPolarHBondContact CB-OG1 3.2Å; D243-T246 PolarHBondContact O-N 3.39Å; D243-T246 VanDerWaalsContact O-N 3.07Å; D243-T246 PolarHBondContact O-OG1 2.99Å; D243-T246 VanDerWaalsContact O-OG1 3.09Å; T246-T248 PolarHBondContact O-N 3.25Å
247D65.2Low82.1Confident154 Ų154110.8 Ų110.882%0.82458%0.578SS**  trans-64.13.5175.2-65.5-31.5000113.7F245F245-D247 PolarHBondContact O-N 2.85Å
248T69.5Low81.8Confident94 Ų94109.1 Ų109.158%0.57757%0.574SS**  trans-86.1112.1172.2440000109.9T246 I250T246-T248 PolarHBondContact O-N 3.25Å; T248-I250 PolarHBondContact O-N 2.85Å
249D76.8Confident81.4Confident162 Ų162110.9 Ų110.987%0.86659%0.594SS**  trans-62.628.1168.6-17229.7000113.4
250I83.8Confident81.1Confident132 Ų132112.2 Ų112.268%0.67760%0.598SS**  trans-108.5108.7-175.3-57.5177.5000107.2T248T248-I250 PolarHBondContact O-N 2.85Å
251P88.8Confident80.9Confident51 Ų51108.7 Ų108.733%0.33158%0.58SS.*PPolyproline II helixtrans-66.8144.9177.126-33.3000111.7Y237 V239 T253Y237-P251 HydrophobicContact CD1-CB 4.26Å; Y237-P251 HydrophobicContact CD1-CG 3.98Å; Y237-P251 HydrophobicContact CG-CG 4.39Å; V239-P251 HydrophobicContact CG2-CB 3.93Å; P251-T253 PolarHBondContact O-N 2.97Å
252T89.8Confident80.7Confident76 Ų76105 Ų10547%0.46657%0.565SS.*EExtended strand (participates in β ladder)trans-71126.8171.3-63.50000109.6Y237 V238Y237-T252 WeakPolarHBondContact CA-O 3.19Å; V238-T252 PolarHBondContact N-O 3.31Å; V238-T252 PolarHBondContact O-N 3.08Å
253T93.1Very high80.4Confident66 Ų66100.5 Ų100.541%0.40555%0.546SS..EExtended strand (participates in β ladder)trans-87.5118.9177.3-53.10000110.4M235 A236 Y237 P251 I255M235-T253 HydrophobicContact CG-CG2 3.73Å; M235-T253 HydrophobicContact SD-CG2 4.08Å; A236-T253 CarbonylContact O-C 3.26Å; Y237-T253 HydrophobicContact CD1-CG2 4.4Å; Y237-T253 HydrophobicContact CE1-CG2 4Å; Y237-T253 VanDerWaalsContact CE1-OG1 3.27Å; Y237-T253 WeakPolarHBondContact CE1-OG1 3.21Å; P251-T253 PolarHBondContact O-N 2.97Å; T253-I255 HydrophobicContact CG2-CG1 4.21Å
254L91.8Very high80.1Confident78 Ų78102.5 Ų102.541%0.40855%0.554SS.*EExtended strand (participates in β ladder)trans-96.9128.2171.8-65.6-171.8000110.7M235 A236 V238M235-L254 CarbonylContact C-O 3.56Å; M235-L254 WeakPolarHBondContact CA-O 3.22Å; A236-L254 HydrophobicContact CB-CB 4.47Å; A236-L254 PolarHBondContact N-O 3.31Å; A236-L254 PolarHBondContact O-N 3.35Å; V238-L254 HydrophobicContact CB-CD1 4.47Å; V238-L254 HydrophobicContact CG2-CD1 3.28Å; V238-L254 HydrophobicContact CG2-CG 3.68Å
255I93.2Very high79.9Confident103 Ų103101.9 Ų101.953%0.52855%0.551SS.*EExtended strand (participates in β ladder)trans-118.6116.6177.3-57.2173.6000108.9L229 R234 T253L229-I255 HydrophobicContact CD2-CD1 4.06Å; L229-I255 HydrophobicContact CD2-CG1 4.4Å; L229-I255 HydrophobicContact CD2-CG2 3.88Å; R234-I255 HydrophobicContact CG-CG2 4.5Å; R234-I255 CarbonylContact O-C 3.51Å; R234-I255 WeakPolarHBondContact O-CA 3.36Å; T253-I255 HydrophobicContact CG2-CG1 4.21Å
256R91.4Very high79.8Confident146 Ų14694.7 Ų94.755%0.55153%0.527SS*.  trans-84.4158.7174.5-58.8-171.7-172.7-93-4111.4G233 R234G233-R256 VanDerWaalsContact O-CD 3.28Å; G233-R256 WeakPolarHBondContact O-CD 3.33Å; R234-R256 WeakPolarHBondContact CG-O 3.43Å; R234-R256 PolarHBondContact O-N 2.91Å
257S90.3Very high79.6Confident67 Ų6797.1 Ų97.147%0.46953%0.534SS..  trans-63.1149169.6-176.60000110.4A259 D260 C261S257-A259 PolarHBondContact O-N 2.8Å; S257-A259 PolarHBondContact OG-N 3.08Å; S257-D260 WeakPolarHBondContact CB-OD2 3.17Å; S257-D260 PolarHBondContact O-N 2.94Å; S257-C261 PolarHBondContact O-SG 2.74Å
258K86.2Confident79.4Confident105 Ų10594 Ų9446%0.45752%0.52SS..G310 helixtrans-54.7-39.2172.5-76.1-177.4177.6177.10113E228 D260 C261E228-K258 VanDerWaalsContact OE1-CE 3.28Å; E228-K258 WeakPolarHBondContact OE1-CE 3.34Å; E228-K258 IonicContact OE1-NZ 2.62Å; E228-K258 PolarHBondContact OE1-NZ 2.78Å; E228-K258 WeakPolarHBondContact OE2-CE 3.25Å; E228-K258 IonicContact OE2-NZ 2.9Å; E228-K258 PolarHBondContact OE2-NZ 2.82Å; K258-D260 PolarHBondContact O-N 2.84Å; K258-C261 PolarHBondContact O-N 3.31Å
259A83.5Confident78.9Confident89 Ų8993 Ų9374%0.73651%0.514SS*.G310 helixtrans-67.9-25.3-174.800000112.3S257S257-A259 PolarHBondContact O-N 2.8Å; S257-A259 PolarHBondContact OG-N 3.08Å
260D82.8Confident78.1Confident122 Ų12290.3 Ų90.365%0.65250%0.499SS*.G310 helixtrans-92.3-3.4-177.2-55.3-33.1000112.4S257 K258S257-D260 WeakPolarHBondContact CB-OD2 3.17Å; S257-D260 PolarHBondContact O-N 2.94Å; K258-D260 PolarHBondContact O-N 2.84Å
261C80.8Confident77.3Confident15 Ų1588.1 Ų88.110%0.10149%0.492CS..SBendtrans-91.9138.9179-61.70000110.2R234 S257 K258 S263R234-C261 WeakPolarHBondContact CA-SG 3.1Å; R234-C261 VanDerWaalsContact CB-SG 3.52Å; S257-C261 PolarHBondContact O-SG 2.74Å; K258-C261 PolarHBondContact O-N 3.31Å; C261-S263 PolarHBondContact O-N 3.15Å; C261-S263 VanDerWaalsContact O-N 3.14Å
262P79.5Confident76.4Confident72 Ų7289.5 Ų89.547%0.46850%0.5SS..PPolyproline II helixtrans-54.9121.6173.7-21.631.1000110.5
263S73.1Confident75.9Confident62 Ų6289.9 Ų89.943%0.43450%0.499SS..PPolyproline II helixtrans-68.7144.8174.3780000109.6C261 E265 A266 Q267C261-S263 PolarHBondContact O-N 3.15Å; C261-S263 VanDerWaalsContact O-N 3.14Å; S263-E265 PolarHBondContact O-N 3.48Å; S263-E265 VanDerWaalsContact O-N 3.16Å; S263-A266 PolarHBondContact O-N 3.42Å; S263-A266 WeakPolarHBondContact OG-CB 3.24Å; S263-A266 PolarHBondContact OG-N 2.86Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; S263-Q267 PolarHBondContact O-N 3Å
264M64.8Low75.4Confident140 Ų14091 Ų9169%0.6950%0.502SS*.Hα-helixtrans-56.9-28.9174.4-80.9176.760.800112.1
265E65.1Low75.1Confident155 Ų15592.6 Ų92.672%0.72451%0.51SS*.Hα-helixtrans-72.8-30.5177.5-63177.6176.200113S263 Q267 T268 T269S263-E265 PolarHBondContact O-N 3.48Å; S263-E265 VanDerWaalsContact O-N 3.16Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; E265-T268 PolarHBondContact O-OG1 3.15Å; E265-T268 VanDerWaalsContact O-OG1 3.07Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.49Å; E265-T269 PolarHBondContact O-OG1 2.94Å; E265-T269 VanDerWaalsContact O-OG1 3.09Å
266A61.5Low75Confident40 Ų4091.4 Ų91.433%0.33151%0.507SS..Hα-helixtrans-70.5-30.8176.400000112.1S263 T269 L270S263-A266 PolarHBondContact O-N 3.42Å; S263-A266 WeakPolarHBondContact OG-CB 3.24Å; S263-A266 PolarHBondContact OG-N 2.86Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; A266-T269 PolarHBondContact O-OG1 3.47Å; A266-T269 VanDerWaalsContact O-OG1 3.1Å; A266-L270 PolarHBondContact O-N 3.01Å
267Q60.7Low74.8Confident111 Ų11188.9 Ų88.952%0.51950%0.504SS..Hα-helixtrans-72.6-38.8178.4-71.5-170.6-3.300112.7S263 E265 L270 T271S263-Q267 PolarHBondContact O-N 3Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; Q267-L270 PolarHBondContact O-N 3.49Å; Q267-T271 WeakPolarHBondContact O-CG2 3.38Å; Q267-T271 PolarHBondContact O-N 2.85Å
268T61Low74.7Confident88 Ų8889 Ų8954%0.5451%0.505SS..Hα-helixtrans-68.8-37.3179.956.90000111.8E265 T271 T272E265-T268 PolarHBondContact O-OG1 3.15Å; E265-T268 VanDerWaalsContact O-OG1 3.07Å; T268-T271 PolarHBondContact O-OG1 3.29Å; T268-T272 PolarHBondContact O-OG1 3.26Å
269T58.9Low74.9Confident72 Ų7289.8 Ų89.844%0.44251%0.508SS..Hα-helixtrans-70.9-32.7178.352.70000112.7E265 A266 T272 N273E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.49Å; E265-T269 PolarHBondContact O-OG1 2.94Å; E265-T269 VanDerWaalsContact O-OG1 3.09Å; A266-T269 PolarHBondContact O-OG1 3.47Å; A266-T269 VanDerWaalsContact O-OG1 3.1Å; T269-T272 PolarHBondContact O-OG1 3.21Å; T269-N273 VanDerWaalsContact O-CB 3.26Å; T269-N273 WeakPolarHBondContact O-CB 3.3Å; T269-N273 PolarHBondContact O-N 2.96Å; T269-N273 PolarHBondContact O-ND2 2.94Å
270L61Low75.3Confident106 Ų10689.9 Ų89.956%0.55550%0.496SS*.Hα-helixtrans-62.3-47.2175.1-120.6105.7000112.1A266 Q267 T272 N273 D274A266-L270 PolarHBondContact O-N 3.01Å; Q267-L270 PolarHBondContact O-N 3.49Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; L270-N273 PolarHBondContact O-N 3.49Å; L270-D274 VanDerWaalsContact O-CG 3.23Å; L270-D274 PolarHBondContact O-N 3.43Å
271T67.1Low75.6Confident86 Ų8687.9 Ų87.953%0.52849%0.488SS..Hα-helixtrans-64.2-32-173.2630000114.5Q267 T268 I275Q267-T271 WeakPolarHBondContact O-CG2 3.38Å; Q267-T271 PolarHBondContact O-N 2.85Å; T268-T271 PolarHBondContact O-OG1 3.29Å; T271-I275 WeakPolarHBondContact O-CD1 3.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å
272T69.9Low75.9Confident80 Ų8091.3 Ų91.349%0.49150%0.503SS..Hα-helixtrans-84.7-39.2179.251.10000111.4T268 T269 L270 D274 I275 V276T268-T272 PolarHBondContact O-OG1 3.26Å; T269-T272 PolarHBondContact O-OG1 3.21Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; T272-D274 VanDerWaalsContact C-N 3.32Å; T272-D274 PolarHBondContact O-N 3.03Å; T272-I275 PolarHBondContact O-N 3.26Å; T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 3.08Å
273N78.6Confident76.5Confident85 Ų8592.7 Ų92.746%0.45551%0.505SS..Hα-helixtrans-61.7-39.9175.5-72-27.7000111.2T269 L270 I275 V276 I277T269-N273 VanDerWaalsContact O-CB 3.26Å; T269-N273 WeakPolarHBondContact O-CB 3.3Å; T269-N273 PolarHBondContact O-N 2.96Å; T269-N273 PolarHBondContact O-ND2 2.94Å; L270-N273 PolarHBondContact O-N 3.49Å; N273-I275 PolarHBondContact O-N 3.4Å; N273-V276 PolarHBondContact O-N 2.96Å; N273-I277 HydrophobicContact CB-CD1 4.32Å; N273-I277 VanDerWaalsContact O-CB 3.25Å; N273-I277 WeakPolarHBondContact O-CB 3.42Å; N273-I277 WeakPolarHBondContact O-CD1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.16Å
274D82.1Confident77.2Confident89 Ų8994 Ų9448%0.47651%0.507SS..Hα-helixtrans-66-37.7179.9-69.6-25.1000113.1L270 T272 S278L270-D274 VanDerWaalsContact O-CG 3.23Å; L270-D274 PolarHBondContact O-N 3.43Å; T272-D274 VanDerWaalsContact C-N 3.32Å; T272-D274 PolarHBondContact O-N 3.03Å; D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 3.27Å
275I85.9Confident77.9Confident111 Ų11189.5 Ų89.557%0.56949%0.489SS*.Hα-helixtrans-67.6-44.7175.5-63.5168.9000110.1T271 T272 N273 S278 K279T271-I275 WeakPolarHBondContact O-CD1 3.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T272-I275 PolarHBondContact O-N 3.26Å; N273-I275 PolarHBondContact O-N 3.4Å; I275-S278 PolarHBondContact O-N 3Å; I275-K279 WeakPolarHBondContact O-CB 3.39Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.35Å; I275-K279 PolarHBondContact O-N 3.49Å
276V90.6Very high78.8Confident78 Ų7889.5 Ų89.547%0.47348%0.484SS..Hα-helixtrans-65.5-43.5178.6174.20000110.8T272 N273 K279 L280T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 3.08Å; N273-V276 PolarHBondContact O-N 2.96Å; V276-K279 PolarHBondContact O-N 3.22Å; V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.19Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.49Å
277I87.5Confident79.9Confident93 Ų9393.9 Ų93.948%0.47750%0.501SS..Hα-helixtrans-62.5-43.6176.4-69.3163.4000110.3N273 K279 L280 T281N273-I277 HydrophobicContact CB-CD1 4.32Å; N273-I277 VanDerWaalsContact O-CB 3.25Å; N273-I277 WeakPolarHBondContact O-CB 3.42Å; N273-I277 WeakPolarHBondContact O-CD1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.16Å; I277-K279 PolarHBondContact O-N 2.95Å; I277-L280 PolarHBondContact O-N 3.22Å; I277-T281 HydrophobicContact CG2-CG2 4.29Å; I277-T281 WeakPolarHBondContact O-CB 3.34Å; I277-T281 VanDerWaalsContact O-CG2 3.25Å; I277-T281 WeakPolarHBondContact O-CG2 3.11Å; I277-T281 PolarHBondContact O-N 2.83Å; I277-T281 PolarHBondContact O-OG1 2.84Å
278S89.1Confident80.7Confident70 Ų7099.2 Ų99.249%0.4952%0.516SS..Hα-helixtrans-61.7-41175.3-178.10000112.4D274 I275 T281 Q282D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 3.27Å; I275-S278 PolarHBondContact O-N 3Å; S278-T281 VanDerWaalsContact CA-OG1 3.32Å; S278-T281 WeakPolarHBondContact CA-OG1 3.32Å; S278-T281 PolarHBondContact O-OG1 2.86Å; S278-Q282 WeakPolarHBondContact O-CB 3.29Å; S278-Q282 PolarHBondContact O-N 3.3Å
279K90.3Very high81.2Confident121 Ų121101.3 Ų101.353%0.52652%0.52SS..Hα-helixtrans-70.3-42.1176.4-69.6-69.6-180-175.30112.7I275 V276 I277 Q282 I283I275-K279 WeakPolarHBondContact O-CB 3.39Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.35Å; I275-K279 PolarHBondContact O-N 3.49Å; V276-K279 PolarHBondContact O-N 3.22Å; I277-K279 PolarHBondContact O-N 2.95Å; K279-Q282 PolarHBondContact O-N 3.38Å; K279-I283 VanDerWaalsContact O-CG1 3.28Å; K279-I283 WeakPolarHBondContact O-CG1 3.34Å; K279-I283 PolarHBondContact O-N 3.29Å
280L91.3Very high81Confident92 Ų9299.3 Ų99.348%0.48251%0.514SS..Hα-helixtrans-66.3-42.5176.8-73.4174.8000111.5V276 I277 Q282 I283 L284V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.19Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.49Å; I277-L280 PolarHBondContact O-N 3.22Å; L280-Q282 VanDerWaalsContact C-N 3.32Å; L280-Q282 PolarHBondContact O-N 3.2Å; L280-I283 PolarHBondContact O-N 3.36Å; L280-L284 VanDerWaalsContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.05Å
281T88.8Confident81Confident80 Ų80101.1 Ų101.149%0.49153%0.529SS..Hα-helixtrans-62.5-38.7174.149.60000111.6I277 S278 S285I277-T281 HydrophobicContact CG2-CG2 4.29Å; I277-T281 WeakPolarHBondContact O-CB 3.34Å; I277-T281 VanDerWaalsContact O-CG2 3.25Å; I277-T281 WeakPolarHBondContact O-CG2 3.11Å; I277-T281 PolarHBondContact O-N 2.83Å; I277-T281 PolarHBondContact O-OG1 2.84Å; S278-T281 VanDerWaalsContact CA-OG1 3.32Å; S278-T281 WeakPolarHBondContact CA-OG1 3.32Å; S278-T281 PolarHBondContact O-OG1 2.86Å; T281-S285 WeakPolarHBondContact O-CB 3.32Å; T281-S285 PolarHBondContact O-N 3.42Å
282Q88.4Confident80.5Confident87 Ų87107 Ų10741%0.40754%0.542SS..Hα-helixtrans-63.2-48.1173-173.617624.500112.2S278 K279 L280 S285 Y286S278-Q282 WeakPolarHBondContact O-CB 3.29Å; S278-Q282 PolarHBondContact O-N 3.3Å; K279-Q282 PolarHBondContact O-N 3.38Å; L280-Q282 VanDerWaalsContact C-N 3.32Å; L280-Q282 PolarHBondContact O-N 3.2Å; Q282-S285 WeakPolarHBondContact O-CB 3.4Å; Q282-S285 PolarHBondContact O-N 3.37Å; Q282-Y286 HydrophobicContact CG-CD2 3.88Å; Q282-Y286 HydrophobicContact CG-CE2 3.65Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.4Å; Q282-Y286 PolarHBondContact O-N 2.92Å
283I91.5Very high79.9Confident100 Ų100111.9 Ų111.951%0.51356%0.559SS.*Hα-helixtrans-61.8-47.8177.7-68.7164.6000110.4K279 L280 S285 Y286 L287K279-I283 VanDerWaalsContact O-CG1 3.28Å; K279-I283 WeakPolarHBondContact O-CG1 3.34Å; K279-I283 PolarHBondContact O-N 3.29Å; L280-I283 PolarHBondContact O-N 3.36Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.19Å; I283-Y286 PolarHBondContact O-N 2.9Å; I283-L287 WeakPolarHBondContact O-CB 3.33Å; I283-L287 PolarHBondContact O-N 3.48Å
284L87Confident78.7Confident91 Ų91115.9 Ų115.948%0.47657%0.572SS.*Hα-helixtrans-65.5-32.8178-69.7171000111.9L280 L287 R288L280-L284 VanDerWaalsContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.05Å; L284-L287 PolarHBondContact O-N 2.77Å; L284-R288 WeakPolarHBondContact O-CB 3.45Å; L284-R288 PolarHBondContact O-N 3.09Å
285S80.9Confident77.7Confident45 Ų45121.5 Ų121.532%0.31559%0.592SS.*Hα-helixtrans-61.6-50.8170.3160.20000110.8T281 Q282 I283 L287 R288 Q289T281-S285 WeakPolarHBondContact O-CB 3.32Å; T281-S285 PolarHBondContact O-N 3.42Å; Q282-S285 WeakPolarHBondContact O-CB 3.4Å; Q282-S285 PolarHBondContact O-N 3.37Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.19Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.19Å; S285-R288 PolarHBondContact O-N 3.08Å; S285-Q289 VanDerWaalsContact O-CB 3.22Å; S285-Q289 WeakPolarHBondContact O-CB 3.4Å; S285-Q289 WeakPolarHBondContact O-CG 3.3Å; S285-Q289 PolarHBondContact O-N 3.28Å; S285-Q289 PolarHBondContact OG-NE2 2.95Å
286Y82.2Confident75.9Confident154 Ų154124.7 Ų124.760%0.60461%0.607SS**Hα-helixtrans-62.5-38.6176.7-80.7-66.1000112.7Q282 I283 Q289 G290Q282-Y286 HydrophobicContact CG-CD2 3.88Å; Q282-Y286 HydrophobicContact CG-CE2 3.65Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.4Å; Q282-Y286 PolarHBondContact O-N 2.92Å; I283-Y286 PolarHBondContact O-N 2.9Å; Y286-Q289 CarbonylContact O-C 3.6Å; Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.41Å; Y286-G290 VanDerWaalsContact O-N 3.09Å
287L84.9Confident73.7Confident133 Ų133130.5 Ų130.570%0.69663%0.626SS**Hα-helixtrans-69.8-41.7177.7-141.878.7000111.5I283 L284 S285 G290I283-L287 WeakPolarHBondContact O-CB 3.33Å; I283-L287 PolarHBondContact O-N 3.48Å; L284-L287 PolarHBondContact O-N 2.77Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.19Å; L287-G290 WeakPolarHBondContact O-CA 3.48Å; L287-G290 PolarHBondContact O-N 3.4Å; L287-G290 VanDerWaalsContact O-N 3.09Å
288R78Confident72.4Confident222 Ų222136.1 Ų136.184%0.83865%0.647SS**Hα-helixtrans-70.8-30.7177.1-166.7-173.6-63.6-104.35.4111.9L284 S285L284-R288 WeakPolarHBondContact O-CB 3.45Å; L284-R288 PolarHBondContact O-N 3.09Å; S285-R288 PolarHBondContact O-N 3.08Å
289Q71.1Confident70.3Confident133 Ų133141.8 Ų141.862%0.62166%0.662SS**THydrogen-bonded Turntrans-81.71.4170.3-68.517527.800113S285 Y286 T291S285-Q289 VanDerWaalsContact O-CB 3.22Å; S285-Q289 WeakPolarHBondContact O-CB 3.4Å; S285-Q289 WeakPolarHBondContact O-CG 3.3Å; S285-Q289 PolarHBondContact O-N 3.28Å; S285-Q289 PolarHBondContact OG-NE2 2.95Å; Y286-Q289 CarbonylContact O-C 3.6Å; Q289-T291 PolarHBondContact O-N 2.85Å
290G54.7Low67.8Low30 Ų30142.1 Ų142.131%0.30967%0.67SS.*THydrogen-bonded Turntrans-37.8126.6-168.600000114.1Y286 L287 R292Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.41Å; Y286-G290 VanDerWaalsContact O-N 3.09Å; L287-G290 WeakPolarHBondContact O-CA 3.48Å; L287-G290 PolarHBondContact O-N 3.4Å; L287-G290 VanDerWaalsContact O-N 3.09Å; G290-R292 PolarHBondContact O-N 3.24Å
291T60.5Low65.4Low143 Ų143147.4 Ų147.488%0.87769%0.689SS**THydrogen-bonded Turntrans33.632.8162.8360000117.6Q289 H293Q289-T291 PolarHBondContact O-N 2.85Å; T291-H293 PolarHBondContact O-N 2.74Å; T291-H293 VanDerWaalsContact O-N 3.13Å
292R57.8Low62.8Low211 Ų211147 Ų14780%0.79670%0.701SS**  trans-87.882.2170.6-79.9-172.1160.6-165.8-2.3108.7G290 K294G290-R292 PolarHBondContact O-N 3.24Å; R292-K294 PolarHBondContact O-N 3.01Å
293H56.8Low60.4Low182 Ų182152.1 Ų152.184%0.84372%0.722SS**  trans-59.688.9154.2-64-73.2000108.7T291T291-H293 PolarHBondContact O-N 2.74Å; T291-H293 VanDerWaalsContact O-N 3.13Å
294K54.3Low57.8Low168 Ų168154 Ų15473%0.7373%0.732SS**  trans-120.298.4160.9-90.1-172.5173.9-178.60108.9R292 M296R292-K294 PolarHBondContact O-N 3.01Å; K294-M296 PolarHBondContact O-N 2.78Å; K294-M296 VanDerWaalsContact O-N 3.13Å
295K60.1Low55.3Low207 Ų207156 Ų15690%0.974%0.743SS**  trans-51.7113.9157.5-63.1-170.9179.1-178.40107.5
296M49.3Very low53.6Low179 Ų179160.5 Ų160.588%0.88276%0.764SS**  trans-120.6127.9157.2-88.1-62.2-159.800109K294K294-M296 PolarHBondContact O-N 2.78Å; K294-M296 VanDerWaalsContact O-N 3.13Å
297K44.6Very low51.7Low199 Ų199162.2 Ų162.287%0.86577%0.774SS**  trans-59.5144.9-172-91.9177.5164.4179.20112.3K299K297-K299 PolarHBondContact O-N 3.17Å
298K60.2Low49.3Very low212 Ų212167.2 Ų167.292%0.92278%0.784SS**  trans-48119.8152.6-165.9177.2-173.8178.40111.1
299K42.9Very low47.3Very low188 Ų188160.8 Ų160.882%0.81778%0.778SS**  trans-171.4137.5157.2-131.5-162.1170-1760105.2K297K297-K299 PolarHBondContact O-N 3.17Å
300D38.2Very low46.4Very low129 Ų129160.2 Ų160.269%0.6979%0.786SS**  cis-156.8164.9-11.8-141.5-34.9000105.7
301K41.7Very low45.9Very low203 Ų203168.1 Ų168.188%0.88382%0.815SS**  trans-29.4142.3164.3-97.5160.3162.7176.80117.8
302G34.7Very low45.6Very low72 Ų72165.7 Ų165.774%0.74281%0.809SS**  trans158.285.7150.400000111.5
303K37.6Very low45.5Very low194 Ų194163 Ų16384%0.84381%0.811SS**  56.7125.892.2-102.7-163.8179.5-162.70115.9
304L35.7Very low45.2Very low138 Ų138162.6 Ų162.672%0.72381%0.814SS**  trans65.4143.9157.7-98.478.2000115.8
305D35.4Very low45.5Very low134 Ų134159 Ų15972%0.71781%0.81SS**  cis-159.5164.715.1-140.2-27000109.7
306D46.1Very low45.6Very low139 Ų139156.2 Ų156.274%0.74380%0.803SS**  trans-59.2155.6172.3-86.6-49.6000113.3
307K41.6Very low46.2Very low190 Ų190154.5 Ų154.583%0.82679%0.791SS**  trans120.5112.4142-58.2-150.3-177.4-174.40117.5
308R33.3Very low46.9Very low239 Ų239152.4 Ų152.490%0.90279%0.79SS**  82.8110.2127.8-152.4162.4-169.2178.72.5117.1
309A37.8Very low46.9Very low86 Ų86150.2 Ų150.271%0.71179%0.788SS**  trans-66.8173.1155.500000110.5
310P50.8Low47.7Very low121 Ų121147.2 Ų147.279%0.78678%0.779SS**  cis-131.5157.4-1.738.1-21.6000113.1
311E44.8Very low49Very low196 Ų196144.2 Ų144.292%0.91678%0.779SS**  trans-146.2104.4160.7-145.9167.6-159.300110.3
312A53.9Low49.9Very low92 Ų92142.5 Ų142.576%0.7678%0.78SS**  trans-87.6108.4165.100000106.7
313D56.3Low51.3Low154 Ų154148.8 Ų148.882%0.82478%0.783SS**  trans175.174.7148.6-103.9-11.7000110.3
314L51.2Low51.9Low175 Ų175146.8 Ų146.892%0.91678%0.779SS**  trans-119.199.9159.9-66.1177000107.6I316L314-I316 PolarHBondContact O-N 3.17Å; L314-I316 VanDerWaalsContact O-N 3.13Å
315S58.8Low52.6Low92 Ų92144.9 Ų144.964%0.64378%0.776SS**  trans-57.5113167.4-99.10000108.9F317 D318S315-F317 PolarHBondContact O-N 3.17Å; S315-D318 PolarHBondContact O-N 3.02Å
316I62.4Low52.8Low148 Ų148144.2 Ų144.276%0.75978%0.781SS**THydrogen-bonded Turntrans-60.2-1.3-178.2-166.4170.5000114.5L314L314-I316 PolarHBondContact O-N 3.17Å; L314-I316 VanDerWaalsContact O-N 3.13Å
317F61.5Low52.6Low144 Ų144142.4 Ų142.463%0.63279%0.786SS**THydrogen-bonded Turntrans-126.215.7-175-61.6-65.2000115S315 D319 I320S315-F317 PolarHBondContact O-N 3.17Å; F317-D319 PolarHBondContact O-N 3.47Å; F317-I320 HydrophobicContact CD1-CD1 3.96Å; F317-I320 PolarHBondContact O-N 3.06Å
318D59.8Low52.6Low155 Ų155140 Ų14083%0.82979%0.787SS**THydrogen-bonded Turntrans-62.1-14.8175.7-107.521000113.7S315S315-D318 PolarHBondContact O-N 3.02Å
319D59.7Low52.6Low165 Ų165134.3 Ų134.388%0.88278%0.784SS**THydrogen-bonded Turntrans-96.49.5-177.6-147.121.9000113.8F317F317-D319 PolarHBondContact O-N 3.47Å
320I61.5Low52.6Low125 Ų125139.7 Ų139.764%0.64179%0.791SS**SBendtrans-122.497.3177.4-49.5179.7000109.3F317F317-I320 HydrophobicContact CD1-CD1 3.96Å; F317-I320 PolarHBondContact O-N 3.06Å
321G65Low52.7Low67 Ų67139.3 Ų139.369%0.69179%0.789SS**PPolyproline II helixtrans-65.1161.3175.700000114.2Y323G321-Y323 PolarHBondContact O-N 3.11Å
322D60Low52.1Low166 Ų166139.4 Ų139.489%0.88879%0.786SS**PPolyproline II helixtrans-53.9127.2-171-65.3-40.8000114.6I324D322-I324 PolarHBondContact O-N 3.19Å
323Y63.5Low51.2Low205 Ų205141.9 Ų141.980%0.80479%0.787SS**PPolyproline II helixtrans-79.8116.2-179.4179.1-101.3000112G321 P325G321-Y323 PolarHBondContact O-N 3.11Å; Y323-P325 HydrophobicContact CD1-CG 4.2Å; Y323-P325 HydrophobicContact CE1-CB 4.23Å; Y323-P325 HydrophobicContact CE1-CG 4.07Å
324I51.8Low50.2Low151 Ų151144.2 Ų144.277%0.77479%0.789SS**  trans-98114176.6-56.5175.4000109.9D322 S326D322-I324 PolarHBondContact O-N 3.19Å; I324-S326 PolarHBondContact O-N 3.41Å
325P49Very low49.3Very low99 Ų99142.2 Ų142.264%0.64378%0.775SS**  trans-78.7117.8-178.7-9.726.1000112.2Y323Y323-P325 HydrophobicContact CD1-CG 4.2Å; Y323-P325 HydrophobicContact CE1-CB 4.23Å; Y323-P325 HydrophobicContact CE1-CG 4.07Å
326S39.3Very low48.1Very low119 Ų119147.3 Ų147.383%0.83278%0.78SS**  trans-87.8108.7171.3620000111.4I324I324-S326 PolarHBondContact O-N 3.41Å
327A43.2Very low46.7Very low102 Ų102146.5 Ų146.584%0.84377%0.773SS**  trans166.894.6140.600000111.8
328T41.2Very low45.3Very low140 Ų140150.3 Ų150.386%0.85978%0.783SS**  trans-84.5122.3158.448.90000110
329S33.8Very low43.9Very low118 Ų118146.3 Ų146.383%0.82578%0.779SS**  trans172.2124.6136.361.20000112.4
330K37.5Very low42.6Very low199 Ų199149.2 Ų149.287%0.86578%0.777SS**  trans-100.4-173.3149-60-150.3177.1-169.90108.1
331P52.8Low41.3Very low113 Ų113149.5 Ų149.573%0.73478%0.78SS**  cis-138.5176.5-10.432.4-11000114.4
332K32.1Very low39.9Very low199 Ų199154.7 Ų154.787%0.86579%0.787SS**  176.1150.9128.1-110.2-177.8174.8176.50116.4
333D34.9Very low38.9Very low144 Ų144154.3 Ų154.377%0.7779%0.785SS**  trans-63.7153.6-175.3-52.7-73.1000117.7
334K35.1Very low37.7Very low202 Ų202150.2 Ų150.288%0.87879%0.786SS**  -176.9154.8110.3-126.7169.6177.2173.50115.2
335E33.2Very low36.9Very low133 Ų133153.4 Ų153.462%0.62179%0.794SS**  trans-60.6150-169.6-76.8179.7123.900121.3
336R32.3Very low36.6Very low200 Ų200153.4 Ų153.476%0.75580%0.797SS**  trans69.2128.9130.7-66.8176.6-156.9-152.28.1123.2
337H33.1Very low37.1Very low130 Ų130158.5 Ų158.560%0.60280%0.798SS**  trans103.1112.6133.7-95-56.6000122.2
338R32.8Very low36.9Very low224 Ų224165.7 Ų165.785%0.84580%0.803SS**  trans67.1133.5131-86.6171.7-171.8149.5-0.8122.1
339G30.8Very low37Very low72 Ų72167.5 Ų167.574%0.74280%0.801SS**  trans111.293.5159.600000111.6
340R32.2Very low37.9Very low225 Ų225165.4 Ų165.485%0.84979%0.791SS**  67.112275.6-170.1166.9-166.9171.28.6112.8
341D33Very low38.5Very low131 Ų131167 Ų16770%0.70179%0.793SS**  trans70.3145.6172-48-28.7000115
342E36.8Very low38.3Very low177 Ų177171.4 Ų171.483%0.82780%0.801SS**  cis-155.7167.5-24.3-112.7-161.9158.900102.5
343D39.5Very low39.2Very low158 Ų158169.2 Ų169.285%0.84579%0.794SS**  trans82.169.9154.6-129.47.5000119.6
344S36.8Very low40.1Very low119 Ų119171.8 Ų171.883%0.83280%0.799SS**  trans-175.181.8142.5-100.30000112.1
345K36.3Very low40.7Very low218 Ų218168 Ų16895%0.94880%0.795SS**  trans-125.261.1162.4-81.1-178.4178.5168.30110.2
346S42Very low41.2Very low99 Ų99173.2 Ų173.269%0.69281%0.808SS**  trans-100.8124.8156.5-170.70000107.9
347R48.8Very low41.8Very low225 Ų225169.9 Ų169.985%0.84981%0.81SS**SBendtrans78.991.8171.2-50.8176.5-159.3-177.84116.7
348R40.2Very low42.2Very low253 Ų253170.7 Ų170.796%0.95582%0.819SS**  trans-17790.1132.1-95.9160.2-163.6-153.26.4108.8
349H43Very low42.6Very low179 Ų179169.2 Ų169.283%0.82982%0.821SS**  trans-83127.8163.7-106.8-62.9000108.8
350A53.7Low42.8Very low74 Ų74174.8 Ų174.861%0.61283%0.828SS**  trans-76.2137.1178.100000110.6F352A350-F352 PolarHBondContact O-N 3.25Å
351Y50.2Low43.2Very low231 Ų231169.5 Ų169.591%0.90682%0.823SS**THydrogen-bonded Turntrans-70.39.2-166.3-154.2-101.9000115.8
352F48.6Very low43.4Very low206 Ų206171.9 Ų171.990%0.90484%0.835SS**THydrogen-bonded Turntrans-123.38.8-174.6-91.9-83.1000115A350A350-F352 PolarHBondContact O-N 3.25Å
353E49Very low43.4Very low153 Ų153171.5 Ų171.572%0.71584%0.835SS**  trans-96110.9175-117.417217400110.9
354K54.8Low43.6Very low199 Ų199172.2 Ų172.287%0.86584%0.838SS**PPolyproline II helixtrans-66.9132.7174.4-99.9164.2173.1174.50110.2R356K354-R356 PolarHBondContact O-N 3.15Å
355P48.6Very low43.9Very low122 Ų122172 Ų17279%0.79283%0.832SS**PPolyproline II helixtrans-66.2134.4177.5-1427.4000110.8V357P355-V357 PolarHBondContact O-N 3.38Å
356R42.4Very low44.3Very low242 Ų242169.6 Ų169.691%0.91383%0.829SS**PPolyproline II helixtrans-68.6127.6167.6-70.6-178.8176.5169.1-0.7108.1K354 D358K354-R356 PolarHBondContact O-N 3.15Å; R356-D358 PolarHBondContact O-N 3.36Å; R356-D358 VanDerWaalsContact O-N 3.11Å
357V44.4Very low44.5Very low130 Ų130171 Ų17179%0.78883%0.834SS**SBendtrans-65.1104168.9176.40000106.3P355P355-V357 PolarHBondContact O-N 3.38Å
358D43Very low44.8Very low147 Ų147163 Ų16379%0.78682%0.821SS**  trans173.9139.2142.4-81.1-27.8000108.7R356R356-D358 PolarHBondContact O-N 3.36Å; R356-D358 VanDerWaalsContact O-N 3.11Å
359E40.1Very low45.5Very low193 Ų193153.2 Ų153.290%0.90279%0.791SS**  trans80.991.2-176.3-61.6-162.5146.900117.9
360H35.4Very low46.2Very low190 Ų190148.6 Ų148.688%0.8879%0.791SS**  trans-124.9140.5141.8-102.1-76.1000110
361P40.1Very low47.1Very low114 Ų114147.4 Ų147.474%0.7478%0.779SS**  trans-73.4140.2-178-7.524.6000111.5M363P361-M363 PolarHBondContact O-N 2.99Å; P361-M363 VanDerWaalsContact O-N 3.15Å
362L37.2Very low47.9Very low181 Ų181142.3 Ų142.395%0.94877%0.766SS**  trans-50.7112174.1-81152.5000111.5
363M36.9Very low48.6Very low168 Ų168140.4 Ų140.483%0.82876%0.757SS**  trans-90.9125.6155.7-67.9-153.8168.100107.9P361 V365P361-M363 PolarHBondContact O-N 2.99Å; P361-M363 VanDerWaalsContact O-N 3.15Å; M363-V365 VanDerWaalsContact O-CG2 3.28Å; M363-V365 WeakPolarHBondContact O-CG2 3.39Å; M363-V365 PolarHBondContact O-N 3.35Å
364D45.1Very low49.9Very low173 Ų173136.9 Ų136.993%0.92574%0.743SS**  trans-65.2100.9179-145.6-7.2000108.5
365V41.3Very low50.6Low115 Ų115132 Ų13270%0.69772%0.724SS**  trans-106116.9174.1-150.10000106.1M363 T367M363-V365 VanDerWaalsContact O-CG2 3.28Å; M363-V365 WeakPolarHBondContact O-CG2 3.39Å; M363-V365 PolarHBondContact O-N 3.35Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.07Å
366D46Very low51.9Low167 Ų167130.6 Ų130.689%0.89371%0.708SS**  trans-50.490.7-179.8-143.5-8.9000110.5G368D366-G368 PolarHBondContact O-N 3.42Å
367T44.8Very low53.5Low129 Ų129125.7 Ų125.779%0.79169%0.694SS**  trans-74.5110.2-179.930.90000108.7V365V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.07Å
368G55.6Low55Low56 Ų56123 Ų12358%0.57767%0.673SS**  trans-50.6158.5160.900000111.5D366 G370D366-G368 PolarHBondContact O-N 3.42Å; G368-G370 PolarHBondContact O-N 2.93Å
369P54.7Low56.6Low48 Ų48120.4 Ų120.431%0.31266%0.659SS.*  trans-54.5109.1-161.326.7-40000112.2S371 D374 Q375 M378P369-S371 PolarHBondContact O-N 2.85Å; P369-D374 HydrophobicContact CB-CB 3.76Å; P369-Q375 HydrophobicContact CB-CG 4.03Å; P369-Q375 HydrophobicContact CG-CG 3.48Å; P369-Q375 VanDerWaalsContact CG-CG 3.48Å; P369-M378 HydrophobicContact CB-CE 3.7Å; P369-M378 HydrophobicContact CG-CE 3.37Å
370G57.9Low58.2Low82 Ų82116.5 Ų116.585%0.84564%0.644SS**SBendtrans-73.617.6-179.400000114.8G368G368-G370 PolarHBondContact O-N 2.93Å
371S72Confident60.2Low50 Ų50114.2 Ų114.235%0.3563%0.633SS.*SBendtrans-156139.7174.9-170.70000111.1P369 K373 D374 Q375P369-S371 PolarHBondContact O-N 2.85Å; S371-K373 PolarHBondContact O-N 3.45Å; S371-K373 VanDerWaalsContact O-N 3.12Å; S371-K373 PolarHBondContact OG-N 3.14Å; S371-D374 WeakPolarHBondContact CB-OD2 3.49Å; S371-D374 WeakPolarHBondContact O-CA 3.35Å; S371-D374 WeakPolarHBondContact O-CB 3.48Å; S371-D374 PolarHBondContact O-N 3.27Å; S371-Q375 PolarHBondContact O-N 2.95Å
372I67.7Low62Low124 Ų124115.9 Ų115.964%0.63663%0.629SS**Hα-helixtrans-54.7-30.6173.3-66.3168.2000110.5D374 Q375 I376I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.06Å; I372-Q375 PolarHBondContact O-N 3.28Å; I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.21Å
373K64.4Low63.5Low166 Ų166114 Ų11472%0.72261%0.614SS**Hα-helixtrans-62.3-37.5174.3-67.4-175.7177.21800112.2S371 K377S371-K373 PolarHBondContact O-N 3.45Å; S371-K373 VanDerWaalsContact O-N 3.12Å; S371-K373 PolarHBondContact OG-N 3.14Å; K373-K377 WeakPolarHBondContact O-CB 3.44Å; K373-K377 PolarHBondContact O-N 2.8Å
374D75.1Confident64.5Low79 Ų79108.2 Ų108.242%0.42260%0.597SS.*Hα-helixtrans-77.5-32.9179.9-61.2-33.5000111.8P369 S371 I372 K377 M378P369-D374 HydrophobicContact CB-CB 3.76Å; S371-D374 WeakPolarHBondContact CB-OD2 3.49Å; S371-D374 WeakPolarHBondContact O-CA 3.35Å; S371-D374 WeakPolarHBondContact O-CB 3.48Å; S371-D374 PolarHBondContact O-N 3.27Å; I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.06Å; D374-K377 PolarHBondContact O-N 3.48Å; D374-M378 WeakPolarHBondContact O-CG 3.38Å; D374-M378 PolarHBondContact O-N 3.15Å
375Q70.3Confident64.9Low97 Ų97105.6 Ų105.645%0.45359%0.588SS.*Hα-helixtrans-64.1-44.7169.7-76.8-177.1-700111.9P369 S371 I372 K377 M378 I379P369-Q375 HydrophobicContact CB-CG 4.03Å; P369-Q375 HydrophobicContact CG-CG 3.48Å; P369-Q375 VanDerWaalsContact CG-CG 3.48Å; S371-Q375 PolarHBondContact O-N 2.95Å; I372-Q375 PolarHBondContact O-N 3.28Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 3.02Å; Q375-M378 PolarHBondContact O-N 3.35Å; Q375-I379 WeakPolarHBondContact O-CB 3.44Å; Q375-I379 WeakPolarHBondContact O-CD1 3.28Å; Q375-I379 WeakPolarHBondContact O-CG1 3.33Å; Q375-I379 PolarHBondContact O-N 3.17Å
376I75.3Confident65.3Low91 Ų91102.3 Ų102.347%0.46757%0.572SS.*Hα-helixtrans-63.9-39.7177.4-68.6166.5000110.8I372 I379 N380I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.21Å; I376-I379 PolarHBondContact O-N 2.91Å; I376-N380 WeakPolarHBondContact O-CB 3.49Å; I376-N380 PolarHBondContact O-N 3.19Å
377K77Confident65.4Low140 Ų14097.5 Ų97.561%0.60956%0.556SS**Hα-helixtrans-62.9-47.3176-165.9178.7178.7-170.20111.4K373 D374 Q375 I379 N380 E381K373-K377 WeakPolarHBondContact O-CB 3.44Å; K373-K377 PolarHBondContact O-N 2.8Å; D374-K377 PolarHBondContact O-N 3.48Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 3.02Å; K377-I379 VanDerWaalsContact C-N 3.35Å; K377-I379 PolarHBondContact O-N 2.95Å; K377-N380 PolarHBondContact O-N 3.19Å; K377-E381 WeakPolarHBondContact O-CB 3.18Å; K377-E381 PolarHBondContact O-N 2.94Å
378M75.9Confident65.5Low73 Ų7398 Ų9836%0.3655%0.553SS.*Hα-helixtrans-63.7-36.2176.2-79.8-161.8-66.800113.5P369 D374 Q375 E381 K382P369-M378 HydrophobicContact CB-CE 3.7Å; P369-M378 HydrophobicContact CG-CE 3.37Å; D374-M378 WeakPolarHBondContact O-CG 3.38Å; D374-M378 PolarHBondContact O-N 3.15Å; Q375-M378 PolarHBondContact O-N 3.35Å; M378-E381 PolarHBondContact O-N 3.21Å; M378-K382 WeakPolarHBondContact O-CB 3.32Å; M378-K382 VanDerWaalsContact O-CG 3.27Å; M378-K382 WeakPolarHBondContact O-CG 3.44Å; M378-K382 PolarHBondContact O-N 3.27Å
379I75.9Confident65.2Low93 Ų93103.4 Ų103.448%0.47756%0.564SS.*Hα-helixtrans-66.6-44.6176.7-70.1164000110.1Q375 I376 K377 E381 K382 F383Q375-I379 WeakPolarHBondContact O-CB 3.44Å; Q375-I379 WeakPolarHBondContact O-CD1 3.28Å; Q375-I379 WeakPolarHBondContact O-CG1 3.33Å; Q375-I379 PolarHBondContact O-N 3.17Å; I376-I379 PolarHBondContact O-N 2.91Å; K377-I379 VanDerWaalsContact C-N 3.35Å; K377-I379 PolarHBondContact O-N 2.95Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.3Å; I379-K382 PolarHBondContact O-N 3.21Å; I379-F383 HydrophobicContact CG2-CD2 4.23Å; I379-F383 WeakPolarHBondContact O-CB 3.41Å; I379-F383 WeakPolarHBondContact O-CD2 3.49Å; I379-F383 PolarHBondContact O-N 3.5Å
380N74.6Confident64.6Low110 Ų110110.9 Ų110.959%0.58859%0.586SS**Hα-helixtrans-66.3-33.3176.2-77.8-14000112.5I376 K377 G384I376-N380 WeakPolarHBondContact O-CB 3.49Å; I376-N380 PolarHBondContact O-N 3.19Å; K377-N380 PolarHBondContact O-N 3.19Å; N380-G384 WeakPolarHBondContact O-CA 3.38Å; N380-G384 PolarHBondContact O-N 3.2Å
381E76.9Confident64Low142 Ų142114.4 Ų114.466%0.66458%0.58SS**Hα-helixtrans-69.9-39.7175.1-128.5169.5-173.300112.2K377 M378 I379K377-E381 WeakPolarHBondContact O-CB 3.18Å; K377-E381 PolarHBondContact O-N 2.94Å; M378-E381 PolarHBondContact O-N 3.21Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.3Å
382K76.5Confident62.6Low150 Ų150119.5 Ų119.565%0.65260%0.604SS**Hα-helixtrans-79.5-29.6-177.9-72.6-177.6-178.2-164.90113.9M378 I379M378-K382 WeakPolarHBondContact O-CB 3.32Å; M378-K382 VanDerWaalsContact O-CG 3.27Å; M378-K382 WeakPolarHBondContact O-CG 3.44Å; M378-K382 PolarHBondContact O-N 3.27Å; I379-K382 PolarHBondContact O-N 3.21Å
383F69.1Low61.3Low141 Ų141121.3 Ų121.362%0.61861%0.61SS**Hα-helixtrans-122.1-7.5-173.2-62.1-79.6000114.2I379 T385 A386I379-F383 HydrophobicContact CG2-CD2 4.23Å; I379-F383 WeakPolarHBondContact O-CB 3.41Å; I379-F383 WeakPolarHBondContact O-CD2 3.49Å; I379-F383 PolarHBondContact O-N 3.5Å; F383-T385 PolarHBondContact O-N 3.09Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.09Å; F383-A386 VanDerWaalsContact O-N 3.14Å
384G58.6Low60.4Low47 Ų47121.9 Ų121.949%0.48562%0.615SS.*THydrogen-bonded Turntrans-66-21.3-179.300000114.6N380N380-G384 WeakPolarHBondContact O-CA 3.38Å; N380-G384 PolarHBondContact O-N 3.2Å
385T52.4Low59Low118 Ų118124.2 Ų124.272%0.72463%0.634SS**THydrogen-bonded Turntrans-83-15.6175.550.80000113.4F383 A387F383-T385 PolarHBondContact O-N 3.09Å; T385-A387 VanDerWaalsContact C-N 3.33Å; T385-A387 PolarHBondContact O-N 3.36Å
386A50.4Low57.6Low45 Ų45130 Ų13037%0.37265%0.654SS.*G310 helixtrans-78.2-15.7-17900000113.4F383 N388 Q389F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.09Å; F383-A386 VanDerWaalsContact O-N 3.14Å; A386-N388 VanDerWaalsContact C-N 3.27Å; A386-N388 PolarHBondContact O-N 2.93Å; A386-Q389 PolarHBondContact O-N 3.33Å
387A48Very low56.3Low66 Ų66131.3 Ų131.355%0.54567%0.668SS.*G310 helixtrans-67.8-23.2-178.100000113.9T385T385-A387 VanDerWaalsContact C-N 3.33Å; T385-A387 PolarHBondContact O-N 3.36Å
388N47.7Very low54.6Low139 Ų139130 Ų13074%0.74368%0.676SS**G310 helixtrans-84.1-7-179.7-77.4-16.2000114.2A386A386-N388 VanDerWaalsContact C-N 3.27Å; A386-N388 PolarHBondContact O-N 2.93Å
389Q48.1Very low52.9Low170 Ų170134.6 Ų134.679%0.79470%0.702SS**SBendtrans-97.8-9.8-174.4-154.9146.636.100114.1A386A386-Q389 PolarHBondContact O-N 3.33Å
390W42.4Very low51.4Low206 Ų206137.5 Ų137.578%0.7872%0.717SS**SBendtrans-98.34.5-179.1-68.189.6000114.2
391Q44.8Very low49.9Very low156 Ų156140.3 Ų140.373%0.72973%0.731SS**SBendtrans-99.52.2-174.4-141.3148.316.800114.2
392N44.1Very low48.2Very low156 Ų156142.3 Ų142.383%0.83474%0.738SS**  trans-126.363.7176.1-84.1-40.4000111.8
393Q39Very low47.1Very low163 Ų163140.7 Ų140.776%0.76274%0.743SS**  trans-120.1113.2154.8-73.6-170.716.200108.1
394E47Very low45.9Very low178 Ų178144.4 Ų144.483%0.83278%0.777SS**PPolyproline II helixtrans-60.2146.4175.2-69.3-164.6152.700111.3Y396E394-Y396 PolarHBondContact O-N 3.46Å
395P44.7Very low45.2Very low128 Ų128149.3 Ų149.383%0.83179%0.791SS**PPolyproline II helixtrans-75.2124.9175.329.6-31000111
396Y41.1Very low44.9Very low219 Ų219150.9 Ų150.986%0.85980%0.795SS**PPolyproline II helixtrans-61.2149.2169.6-78.2-86.5000112E394E394-Y396 PolarHBondContact O-N 3.46Å
397P47.5Very low44.6Very low117 Ų117156.8 Ų156.876%0.7682%0.818SS**PPolyproline II helixtrans-76.2133.7-174.731-33000111.8L399P397-L399 PolarHBondContact O-N 3.34Å
398S42.3Very low44.4Very low114 Ų114162.2 Ų162.280%0.79784%0.835SS**PPolyproline II helixtrans-70122.9172.454.80000111.1L400S398-L400 PolarHBondContact O-N 3.39Å
399L40.5Very low44.2Very low169 Ų169163.6 Ų163.689%0.88584%0.84SS**PPolyproline II helixtrans-64.4123.3170.8-79.1161000110.8P397 L401P397-L399 PolarHBondContact O-N 3.34Å; L399-L401 PolarHBondContact O-N 3.23Å
400L44Very low43.9Very low153 Ų153163.2 Ų163.280%0.80184%0.843SS**PPolyproline II helixtrans-66.6118.9168.8-71.8162000109.8S398S398-L400 PolarHBondContact O-N 3.39Å
401L43.4Very low44Very low170 Ų170160.1 Ų160.189%0.8985%0.848SS**PPolyproline II helixtrans-87.9117.9160.8-112.488.3000108.7L399L399-L401 PolarHBondContact O-N 3.23Å
402F39.8Very low43.9Very low183 Ų183160.5 Ų160.580%0.80386%0.857SS**PPolyproline II helixtrans-69.7152.3168.8-86.2-93.5000111.3
403P53.8Low43.9Very low117 Ų117160.8 Ų160.876%0.7686%0.859SS**PPolyproline II helixtrans-84.1141.9178.134.9-30.7000111.1
404V44Very low44.4Very low219 Ų219160.6 Ų160.6100%1.32787%0.868SS**  trans-1350152.21790000107.6

Retrieved 404 of 404 residues in 304.7 ms (Link to these results)