A0A087Y8T0_POEFO Loading...

G2 and S-phase expressed 1

AlphaFold DB , UniProt , Accession A0A087Y8T0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 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
1M40.6Very low50.8Low238 Ų238144.2 Ų144.2100%1.17280%0.795SS**  0135.40-80.8-171.5171.700107.8
2D46.9Very low51.1Low156 Ų156145.9 Ų145.983%0.83480%0.801SS**  trans-99.8140.7-151.6-52.1-89.9000112.3
3R45.6Very low51.4Low258 Ų258149.1 Ų149.197%0.97481%0.806SS**  trans-168.6132.2155.9-98.1151.4-161.2-139.84.5105.5
4G48.2Very low51.6Low68 Ų68149.5 Ų149.570%0.70181%0.808SS**  cis130.856.915.600000108.4
5A52.3Low52.2Low97 Ų97149.7 Ų149.780%0.80280%0.802SS**  trans-102.694.4-178.300000108.3S7A5-S7 PolarHBondContact O-N 3.27Å; A5-S7 VanDerWaalsContact O-N 3.1Å
6N47.7Very low53.3Low137 Ų137149.7 Ų149.773%0.73379%0.792SS**  trans-67.8107.8178.5-58-16000108.7D8N6-D8 VanDerWaalsContact C-N 3.32Å; N6-D8 PolarHBondContact O-N 3.04Å; N6-D8 VanDerWaalsContact O-N 3.09Å
7S53.8Low53.8Low98 Ų98148.7 Ų148.769%0.68578%0.78SS**  trans-79.885169.858.50000108.8A5 L9A5-S7 PolarHBondContact O-N 3.27Å; A5-S7 VanDerWaalsContact O-N 3.1Å; S7-L9 PolarHBondContact O-N 2.77Å
8D52.9Low54.4Low140 Ų140146.9 Ų146.975%0.74977%0.771SS**  trans-67.972.9174-70.5-31.9000110.5N6 C10N6-D8 VanDerWaalsContact C-N 3.32Å; N6-D8 PolarHBondContact O-N 3.04Å; N6-D8 VanDerWaalsContact O-N 3.09Å; D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 2.8Å
9L54.8Low54.6Low113 Ų113147.4 Ų147.459%0.59277%0.766SS**  trans-71.992.6165.1-91.273.2000107.8S7 F11S7-L9 PolarHBondContact O-N 2.77Å; L9-F11 HydrophobicContact CB-CD2 4.06Å; L9-F11 HydrophobicContact CB-CE2 3.68Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD2-CE1 4.38Å; L9-F11 HydrophobicContact CD2-CE2 4.06Å; L9-F11 HydrophobicContact CD2-CZ 3.72Å; L9-F11 VanDerWaalsContact O-CD2 3.28Å; L9-F11 WeakPolarHBondContact O-CD2 3.29Å; L9-F11 PolarHBondContact O-N 2.95Å
10C57.4Low54.8Low114 Ų114147.1 Ų147.177%0.7777%0.766SS**  trans-66.880.5162.5-59.60000109.3D8 L12D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 2.8Å; C10-L12 PolarHBondContact O-N 3.09Å
11F58Low54.8Low167 Ų167144.8 Ų144.873%0.73276%0.758SS**PPolyproline II helixtrans-56.1118.8161.4-66-85000107.5L9 Q13L9-F11 HydrophobicContact CB-CD2 4.06Å; L9-F11 HydrophobicContact CB-CE2 3.68Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD2-CE1 4.38Å; L9-F11 HydrophobicContact CD2-CE2 4.06Å; L9-F11 HydrophobicContact CD2-CZ 3.72Å; L9-F11 VanDerWaalsContact O-CD2 3.28Å; L9-F11 WeakPolarHBondContact O-CD2 3.29Å; L9-F11 PolarHBondContact O-N 2.95Å; F11-Q13 PolarHBondContact O-N 2.85Å
12L55.5Low55.5Low165 Ų165138 Ų13886%0.86473%0.734SS**PPolyproline II helixtrans-61.6125164.9-78.183.4000106.4C10C10-L12 PolarHBondContact O-N 3.09Å
13Q54.8Low55.9Low187 Ų187137.9 Ų137.987%0.87473%0.733SS**PPolyproline II helixtrans-67.8132.6173.2-68177-21.200107.9F11 E15F11-Q13 PolarHBondContact O-N 2.85Å; Q13-E15 PolarHBondContact O-N 2.89Å; Q13-E15 VanDerWaalsContact O-N 3.09Å
14D53.8Low55.7Low155 Ų155130.1 Ų130.183%0.82972%0.718SS**  trans-58.9115.4178.5-65.7-62.8000109.8K16D14-K16 VanDerWaalsContact C-N 3.27Å; D14-K16 PolarHBondContact O-N 2.78Å
15E61.1Low55.7Low153 Ų153132.9 Ų132.972%0.71572%0.723SS**  trans-72.883-178.9-168.2172.4-160.600109.2Q13 F17Q13-E15 PolarHBondContact O-N 2.89Å; Q13-E15 VanDerWaalsContact O-N 3.09Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 HydrophobicContact CB-CE2 4.26Å; E15-F17 VanDerWaalsContact CD-CE2 3.45Å; E15-F17 HydrophobicContact CG-CD2 4.03Å; E15-F17 HydrophobicContact CG-CE2 3.59Å; E15-F17 HydrophobicContact CG-CZ 4.1Å; E15-F17 WeakPolarHBondContact O-CD2 3.24Å; E15-F17 PolarHBondContact O-N 2.73Å
16K69.9Low55.3Low149 Ų149134.7 Ų134.765%0.64872%0.724SS**  trans-63.193.3170.9-80-170.471-85.50109.9D14 D18D14-K16 VanDerWaalsContact C-N 3.27Å; D14-K16 PolarHBondContact O-N 2.78Å; K16-D18 VanDerWaalsContact C-N 3.33Å; K16-D18 VanDerWaalsContact NZ-CG 3.26Å; K16-D18 IonicContact NZ-OD1 2.57Å; K16-D18 PolarHBondContact NZ-OD1 3.2Å; K16-D18 IonicContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact NZ-OD2 2.97Å; K16-D18 VanDerWaalsContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact O-N 3.04Å
17F61.5Low55.4Low133 Ų133133.4 Ų133.458%0.58373%0.726SS**  trans-6789.7164.4-80-84.2000110.2E15 F19E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 HydrophobicContact CB-CE2 4.26Å; E15-F17 VanDerWaalsContact CD-CE2 3.45Å; E15-F17 HydrophobicContact CG-CD2 4.03Å; E15-F17 HydrophobicContact CG-CE2 3.59Å; E15-F17 HydrophobicContact CG-CZ 4.1Å; E15-F17 WeakPolarHBondContact O-CD2 3.24Å; E15-F17 PolarHBondContact O-N 2.73Å; F17-F19 HydrophobicContact CB-CD2 3.86Å; F17-F19 HydrophobicContact CB-CE2 4Å; F17-F19 HydrophobicContact CD1-CD2 4.19Å; F17-F19 AromaticContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CE2 3.49Å; F17-F19 VanDerWaalsContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CZ 4.11Å; F17-F19 HydrophobicContact CE1-CE2 4.33Å; F17-F19 HydrophobicContact CG-CD2 4.43Å; F17-F19 HydrophobicContact CG-CE2 4.07Å; F17-F19 PolarHBondContact O-N 2.8Å
18D65.2Low55Low117 Ų117133.3 Ų133.363%0.62673%0.731SS**  trans-73.780.1169.6-76.5-8.1000109.9K16 D20K16-D18 VanDerWaalsContact C-N 3.33Å; K16-D18 VanDerWaalsContact NZ-CG 3.26Å; K16-D18 IonicContact NZ-OD1 2.57Å; K16-D18 PolarHBondContact NZ-OD1 3.2Å; K16-D18 IonicContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact NZ-OD2 2.97Å; K16-D18 VanDerWaalsContact NZ-OD2 3.15Å; K16-D18 PolarHBondContact O-N 3.04Å; D18-D20 PolarHBondContact O-N 3.18Å
19F57.5Low54.9Low155 Ų155136.5 Ų136.568%0.6874%0.738SS**  trans-8647.8168.6-80.2-65.6000111.9F17 V21F17-F19 HydrophobicContact CB-CD2 3.86Å; F17-F19 HydrophobicContact CB-CE2 4Å; F17-F19 HydrophobicContact CD1-CD2 4.19Å; F17-F19 AromaticContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CE2 3.49Å; F17-F19 VanDerWaalsContact CD1-CE2 3.49Å; F17-F19 HydrophobicContact CD1-CZ 4.11Å; F17-F19 HydrophobicContact CE1-CE2 4.33Å; F17-F19 HydrophobicContact CG-CD2 4.43Å; F17-F19 HydrophobicContact CG-CE2 4.07Å; F17-F19 PolarHBondContact O-N 2.8Å; F19-V21 HydrophobicContact CB-CG2 4.44Å; F19-V21 HydrophobicContact CD1-CG2 4.14Å; F19-V21 PolarHBondContact O-N 3.2Å
20D58.3Low54.5Low141 Ų141134 Ų13475%0.75474%0.739SS**  trans-73.765.3165.4-83.5-13000109.7D18 S22D18-D20 PolarHBondContact O-N 3.18Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.87Å
21V54.8Low54.1Low99 Ų99137.1 Ų137.160%0.674%0.743SS**  trans-71.175.7174.5-171.40000108.3F19 L23F19-V21 HydrophobicContact CB-CG2 4.44Å; F19-V21 HydrophobicContact CD1-CG2 4.14Å; F19-V21 PolarHBondContact O-N 3.2Å; V21-L23 VanDerWaalsContact C-N 3.29Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 HydrophobicContact CG1-CG 4.12Å; V21-L23 PolarHBondContact O-N 3.26Å
22S56Low53.6Low96 Ų96137.6 Ų137.667%0.67175%0.747SS**  trans-71.882.2-177.9-64.10000109.9D20 S24D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.87Å; S22-S24 PolarHBondContact O-N 3.33Å
23L54.5Low53.5Low154 Ų154137.5 Ų137.581%0.80674%0.743SS**  trans-71.561.5173.7-62.5-177.8000111.3V21 P25V21-L23 VanDerWaalsContact C-N 3.29Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 HydrophobicContact CG1-CG 4.12Å; V21-L23 PolarHBondContact O-N 3.26Å; L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.36Å
24S42.4Very low53.6Low94 Ų94136.6 Ų136.666%0.65774%0.738SS**  trans-87.5107.3166-69.60000108.2S22 V26S22-S24 PolarHBondContact O-N 3.33Å; S24-V26 PolarHBondContact O-N 3.2Å
25P47.2Very low53.7Low126 Ų126136.3 Ų136.382%0.81874%0.737SS**  trans-66.7107.5174.327.5-33.2000108.9L23 S27L23-P25 VanDerWaalsContact O-CD 3.29Å; L23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-S27 PolarHBondContact O-N 3.09Å; P25-S27 VanDerWaalsContact O-N 3.14Å
26V44.7Very low53.2Low135 Ų135135.4 Ų135.482%0.81874%0.737SS**  trans-69.4111173.7175.70000107.8S24 A28S24-V26 PolarHBondContact O-N 3.2Å; V26-A28 PolarHBondContact O-N 2.77Å
27S48.6Very low52.5Low110 Ų110138 Ų13877%0.76975%0.751SS**  trans-63.9105.5172.6-175.90000109.5P25 K29P25-S27 PolarHBondContact O-N 3.09Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-K29 PolarHBondContact O-N 3.09Å
28A46.4Very low52.3Low96 Ų96136.7 Ų136.779%0.79375%0.754SS**  trans-76.6117.8171.100000108.9V26V26-A28 PolarHBondContact O-N 2.77Å
29K50.6Low51.3Low207 Ų207140.4 Ų140.490%0.977%0.765SS**  trans-121.4131.7170.8-130.5-167.5179.5-158.30107.8S27S27-K29 PolarHBondContact O-N 3.09Å
30G47.4Very low50.9Low60 Ų60138.3 Ų138.362%0.61977%0.765SS**  trans133.794.9-158.700000106.4
31E48.5Very low50.2Low180 Ų180138 Ų13884%0.84176%0.763SS**  cis76.8117.344.5-156.5171.2-172.400110.6
32E47.8Very low49.8Very low177 Ų177141.1 Ų141.183%0.82777%0.771SS**  trans65.1143.7-176.9-62169.3-175.100115.8
33E53.7Low49.4Very low164 Ų164141.5 Ų141.577%0.76677%0.769SS**  cis-164.1139.7-22.9-177.4163.2-134.300108.7
34E56.8Low49.3Very low168 Ų168142.1 Ų142.179%0.78577%0.768SS**  trans48.7159.1168.8-69-173.2141.800122.5
35D55.5Low49.4Very low148 Ų148144.3 Ų144.379%0.79177%0.767SS**  trans51.883.4159.6-65.8-9.5000121.9
36D51.1Low49.2Very low135 Ų135143.3 Ų143.372%0.72276%0.762SS**  trans-163.368.8132.2-128.5-18000113.1V38D36-V38 PolarHBondContact O-N 2.96Å
37E53.3Low48.9Very low203 Ų203143.2 Ų143.295%0.94976%0.757SS**  trans-74.363.6175.9-71.7-164.4159.800113.1
38V57.6Low48.4Very low106 Ų106143 Ų14364%0.64276%0.755SS**  trans-10717172.7-710000113.9D36 V40D36-V38 PolarHBondContact O-N 2.96Å; V38-V40 PolarHBondContact O-N 2.93Å
39F45.8Very low47.9Very low195 Ų195143.3 Ų143.386%0.85575%0.747SS**  trans-81.989.6154.6-70.9-78.1000108.8D41F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 2.82Å
40V47.5Very low47.7Very low111 Ų111141.3 Ų141.367%0.67375%0.746SS**  trans-64.793.6166.8-1770000107.2V38 H42V38-V40 PolarHBondContact O-N 2.93Å; V40-H42 PolarHBondContact O-N 2.78Å; V40-H42 PolarHBondContact O-ND1 3.19Å
41D45.1Very low47.5Very low135 Ų135145 Ų14572%0.72275%0.752SS**  trans-55.3110.3168.9-106.3-19.7000107.5F39 T43F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 2.82Å; D41-T43 PolarHBondContact O-N 3.22Å
42H45.2Very low47.3Very low164 Ų164142.5 Ų142.576%0.75975%0.754SS**  trans-74.868.1174.3-72.732000107.8V40 E44V40-H42 PolarHBondContact O-N 2.78Å; V40-H42 PolarHBondContact O-ND1 3.19Å; H42-E44 PolarHBondContact O-N 3.19Å
43T48.8Very low47.1Very low103 Ų103138.6 Ų138.663%0.63275%0.746SS**  trans-6578.6159.146.70000107.1D41 Q45D41-T43 PolarHBondContact O-N 3.22Å; T43-Q45 PolarHBondContact O-N 3.09Å
44E51.1Low46.8Very low167 Ų167138.1 Ų138.178%0.7874%0.744SS**  trans-62.782.5160.952.1-175.9169.800107.3H42 C46H42-E44 PolarHBondContact O-N 3.19Å; E44-C46 PolarHBondContact O-N 3.39Å
45Q44.1Very low46Very low140 Ų140136 Ų13665%0.65475%0.745SS**  trans-62.886.9171.9-66.4-176.41200106.7T43 L47T43-Q45 PolarHBondContact O-N 3.09Å; Q45-L47 HydrophobicContact CB-CD2 4.48Å; Q45-L47 HydrophobicContact CB-CG 4.16Å; Q45-L47 PolarHBondContact O-N 3.32Å
46C44Very low45.5Very low105 Ų105136 Ų13671%0.70974%0.74SS**  trans-65.177.8164.6-71.70000107E44 S48E44-C46 PolarHBondContact O-N 3.39Å; C46-S48 PolarHBondContact O-N 3.08Å
47L37.8Very low45.4Very low134 Ų134139.5 Ų139.570%0.70275%0.752SS**  trans-69.865.3169.5-65.3176.5000108.5Q45 T49Q45-L47 HydrophobicContact CB-CD2 4.48Å; Q45-L47 HydrophobicContact CB-CG 4.16Å; Q45-L47 PolarHBondContact O-N 3.32Å; L47-T49 PolarHBondContact O-N 3.46Å
48S39.3Very low45Very low106 Ų106133.2 Ų133.274%0.74174%0.741SS**  trans-59.186.2150.5-660000106.2C46 D50C46-S48 PolarHBondContact O-N 3.08Å; S48-D50 PolarHBondContact O-N 3.3Å; S48-D50 VanDerWaalsContact O-N 3.15Å
49T35.8Very low44.5Very low102 Ų102132.5 Ų132.563%0.62676%0.756SS**  trans-58.2119.4174.446.60000108.2L47 L51L47-T49 PolarHBondContact O-N 3.46Å; T49-L51 PolarHBondContact O-N 3.19Å
50D46.6Very low44.5Very low164 Ų164126.9 Ų126.988%0.87775%0.753SS**  trans-64.475.8171.3-80.2-47.4000110.4S48 S52S48-D50 PolarHBondContact O-N 3.3Å; S48-D50 VanDerWaalsContact O-N 3.15Å; D50-S52 PolarHBondContact O-N 3.04Å
51L43Very low44.7Very low139 Ų139125.3 Ų125.373%0.72876%0.759SS**  trans-75.678.6165.4-74.3177000108.2T49 S53T49-L51 PolarHBondContact O-N 3.19Å; L51-S53 PolarHBondContact O-N 3.46Å; L51-S53 PolarHBondContact O-OG 3.37Å; L51-S53 VanDerWaalsContact O-OG 3.11Å
52S44.6Very low45Very low127 Ų127125.5 Ų125.589%0.88877%0.765SS**  trans-54.789.8162.2-175.30000109.1D50D50-S52 PolarHBondContact O-N 3.04Å
53S42Very low45.1Very low95 Ų95125.7 Ų125.766%0.66477%0.766SS**  trans-124.696.4175.448.20000107.1L51 P55L51-S53 PolarHBondContact O-N 3.46Å; L51-S53 PolarHBondContact O-OG 3.37Å; L51-S53 VanDerWaalsContact O-OG 3.11Å; S53-P55 WeakPolarHBondContact O-CD 3.49Å; S53-P55 VanDerWaalsContact O-N 3.16Å
54Q49.1Very low45.4Very low153 Ų153124.1 Ų124.172%0.71576%0.764SS**  trans-39.4114.8170.2168.5-178.4-2500110.8E56Q54-E56 PolarHBondContact NE2-OE1 2.99Å; Q54-E56 PolarHBondContact O-N 2.95Å
55P39.3Very low45.7Very low124 Ų124121.3 Ų121.381%0.80576%0.758SS**  trans-75.497.217129.9-31.3000108.7S53S53-P55 WeakPolarHBondContact O-CD 3.49Å; S53-P55 VanDerWaalsContact O-N 3.16Å
56E43.7Very low46.7Very low149 Ų149126.3 Ų126.370%0.69677%0.771SS**  trans-55.8147.2161.9-75.8-72.3102.700110.3Q54 G58Q54-E56 PolarHBondContact NE2-OE1 2.99Å; Q54-E56 PolarHBondContact O-N 2.95Å; E56-G58 PolarHBondContact O-N 3.25Å
57E50.9Low48.4Very low207 Ų207126.4 Ų126.497%0.96777%0.768SS**SBendtrans-69.897.1-174.6-169.2177.1165.700111.6
58G43.6Very low50.5Low71 Ų71125.6 Ų125.673%0.73277%0.771SS**  trans-152.6105.5-178.700000112.9E56E56-G58 PolarHBondContact O-N 3.25Å
59G47.2Very low52.9Low92 Ų92125.2 Ų125.295%0.94876%0.76SS**  trans-75.5144.8-173.400000114.9
60G45.4Very low55.6Low76 Ų76123.7 Ų123.778%0.78475%0.751SS**  trans175.182.917400000115
61G53.2Low57.8Low79 Ų79119.8 Ų119.881%0.81474%0.741SS**  trans58.766.6161.700000116Q63G61-Q63 PolarHBondContact O-N 3.14Å
62V50.1Low60.3Low138 Ų138119 Ų11984%0.83674%0.738SS**  trans-60.6103.7176.4-177.50000110.5A64V62-A64 PolarHBondContact O-N 3.37Å; V62-A64 VanDerWaalsContact O-N 3.14Å
63Q48.2Very low62.7Low168 Ų168117.7 Ų117.779%0.78572%0.717SS**  trans-60.2113.5157.2179.7177.69.200106.6G61 V65G61-Q63 PolarHBondContact O-N 3.14Å; Q63-V65 PolarHBondContact O-N 2.85Å
64A53.9Low65.2Low71 Ų71117.8 Ų117.859%0.58771%0.71SS**  trans-68.882.3-177.400000110.9V62 W66V62-A64 PolarHBondContact O-N 3.37Å; V62-A64 VanDerWaalsContact O-N 3.14Å; A64-W66 PolarHBondContact O-N 3.38Å
65V57.8Low67.5Low107 Ų107115.4 Ų115.465%0.64870%0.699SS**  trans-63116.2163.6177.70000106.3Q63 T67Q63-V65 PolarHBondContact O-N 2.85Å; V65-T67 PolarHBondContact O-N 3.46Å
66W64.8Low70.2Confident245 Ų245112 Ų11293%0.92868%0.682SS**  trans-75.575.1174.8-67.484.3000109.2A64A64-W66 PolarHBondContact O-N 3.38Å
67T80.7Confident72.7Confident107 Ų107108.5 Ų108.566%0.65667%0.67SS**PPolyproline II helixtrans-58.4135.616426.30000108.9V65 L69V65-T67 PolarHBondContact O-N 3.46Å; T67-L69 PolarHBondContact O-N 3.21Å
68P82.3Confident74.9Confident118 Ų118101.7 Ų101.777%0.76664%0.644SS**PPolyproline II helixtrans-55.7132.5168.4-23.534.1000109.7T70P68-T70 PolarHBondContact O-N 2.88Å
69L89.9Confident77.5Confident98 Ų98104 Ų10451%0.51363%0.634SS.*PPolyproline II helixtrans-58.8138.1173.5-64.4175.4000109.3T67 Q73T67-L69 PolarHBondContact O-N 3.21Å; L69-Q73 HydrophobicContact CB-CB 4.16Å; L69-Q73 HydrophobicContact CD2-CB 4.32Å
70T92.3Very high79.8Confident70 Ų70105.2 Ų105.243%0.42962%0.616SS.*PPolyproline II helixtrans-64.9159.3170.669.10000110.1P68 D72 Q73 L74P68-T70 PolarHBondContact O-N 2.88Å; T70-D72 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact N-OE1 3.12Å; T70-Q73 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact O-N 3.09Å; T70-Q73 VanDerWaalsContact OG1-CG 3.31Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.12Å; T70-L74 PolarHBondContact O-N 2.82Å
71A91.9Very high82.3Confident81 Ų81104.1 Ų104.167%0.66960%0.599SS**Hα-helixtrans-54.3-40.9179.500000112L74 E75A71-L74 PolarHBondContact O-N 2.9Å; A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 2.78Å
72D95.1Very high84.4Confident123 Ų123107.1 Ų107.166%0.65859%0.591SS**Hα-helixtrans-68.5-37.8179.1-40.3-54.3000112.3T70 E75 A76T70-D72 PolarHBondContact O-N 2.97Å; D72-E75 PolarHBondContact O-N 2.84Å; D72-A76 WeakPolarHBondContact O-CB 3.06Å; D72-A76 PolarHBondContact O-N 3.11Å
73Q95.1Very high86.6Confident99 Ų99106.7 Ų106.746%0.46358%0.578SS.*Hα-helixtrans-66.6-41.6174.4-73.4171.2-7.100111.4L69 T70 A76 V77L69-Q73 HydrophobicContact CB-CB 4.16Å; L69-Q73 HydrophobicContact CD2-CB 4.32Å; T70-Q73 VanDerWaalsContact N-OE1 3.12Å; T70-Q73 PolarHBondContact O-N 2.97Å; T70-Q73 VanDerWaalsContact O-N 3.09Å; T70-Q73 VanDerWaalsContact OG1-CG 3.31Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.12Å; Q73-A76 PolarHBondContact O-N 2.9Å; Q73-V77 WeakPolarHBondContact O-CG2 3.4Å; Q73-V77 PolarHBondContact O-N 2.85Å
74L95.8Very high88.9Confident97 Ų97102.6 Ų102.651%0.50856%0.562SS.*Hα-helixtrans-64.4-42.2175.1-178.961.3000111.1T70 A71 A76 V77 C78T70-L74 PolarHBondContact O-N 2.82Å; A71-L74 PolarHBondContact O-N 2.9Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-C78 WeakPolarHBondContact O-CB 3.25Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.14Å
75E96.5Very high90.9Very high103 Ų103101.9 Ų101.948%0.48156%0.555SS.*Hα-helixtrans-65-38.5176.1-154.2-150.6176.900111.8A71 D72 C78 K79A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 2.78Å; D72-E75 PolarHBondContact O-N 2.84Å; E75-C78 PolarHBondContact O-N 3.18Å; E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CB 3.37Å; E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.67Å; E75-K79 WeakPolarHBondContact OE1-CE 3.47Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.18Å; E75-K79 IonicContact OE2-NZ 2.65Å; E75-K79 PolarHBondContact OE2-NZ 2.9Å
76A96.1Very high92.7Very high54 Ų5499.8 Ų99.845%0.44655%0.546SS..Hα-helixtrans-62.8-45.6173.600000112.2D72 Q73 L74 C78 K79 E80D72-A76 WeakPolarHBondContact O-CB 3.06Å; D72-A76 PolarHBondContact O-N 3.11Å; Q73-A76 PolarHBondContact O-N 2.9Å; L74-A76 VanDerWaalsContact C-N 3.35Å; A76-C78 VanDerWaalsContact C-N 3.34Å; A76-C78 PolarHBondContact O-N 2.89Å; A76-K79 PolarHBondContact O-N 3.25Å; A76-E80 PolarHBondContact O-N 3.05Å
77V97.1Very high94Very high74 Ų7493.4 Ų93.445%0.44853%0.526SS..Hα-helixtrans-62.2-40.3174.7169.40000111.3Q73 L74 E80 A81Q73-V77 WeakPolarHBondContact O-CG2 3.4Å; Q73-V77 PolarHBondContact O-N 2.85Å; L74-V77 PolarHBondContact O-N 3.06Å; V77-E80 PolarHBondContact O-N 2.98Å; V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.42Å
78C96.3Very high94.4Very high64 Ų6495.3 Ų95.343%0.43253%0.532SS..Hα-helixtrans-64-42.1174.2-72.70000112.2L74 E75 A76 A81 H82L74-C78 WeakPolarHBondContact O-CB 3.25Å; L74-C78 PolarHBondContact O-N 3.13Å; L74-C78 PolarHBondContact O-SG 3.14Å; E75-C78 PolarHBondContact O-N 3.18Å; A76-C78 VanDerWaalsContact C-N 3.34Å; A76-C78 PolarHBondContact O-N 2.89Å; C78-A81 PolarHBondContact O-N 3Å; C78-H82 WeakPolarHBondContact O-CB 3.4Å; C78-H82 PolarHBondContact O-CD2 2.71Å; C78-H82 PolarHBondContact O-N 2.88Å
79K97.4Very high94.5Very high120 Ų12097.5 Ų97.552%0.52253%0.532SS..Hα-helixtrans-63.1-41.6175.1-74.9164.3178.9168.70111.9E75 A76 K83E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CB 3.37Å; E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.44Å; E75-K79 PolarHBondContact O-N 2.67Å; E75-K79 WeakPolarHBondContact OE1-CE 3.47Å; E75-K79 IonicContact OE1-NZ 2.75Å; E75-K79 PolarHBondContact OE1-NZ 3.18Å; E75-K79 IonicContact OE2-NZ 2.65Å; E75-K79 PolarHBondContact OE2-NZ 2.9Å; A76-K79 PolarHBondContact O-N 3.25Å; K79-K83 WeakPolarHBondContact O-CB 3.38Å; K79-K83 PolarHBondContact O-N 3.14Å
80E96.7Very high94Very high118 Ų11898.1 Ų98.155%0.55154%0.543SS*.Hα-helixtrans-67.4-45.4175.3-177.8166.6-142.800112.1A76 V77 H82 K83 L84A76-E80 PolarHBondContact O-N 3.05Å; V77-E80 PolarHBondContact O-N 2.98Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 2.97Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.96Å; E80-K83 VanDerWaalsContact O-N 3.15Å; E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 HydrophobicContact CG-CG 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.37Å
81A97.4Very high92.5Very high53 Ų5396.9 Ų96.944%0.43854%0.544SS..Hα-helixtrans-60.2-40.3176.200000112.1V77 C78 L84 A85V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.42Å; C78-A81 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 2.83Å; A81-A85 WeakPolarHBondContact O-CB 3.49Å; A81-A85 PolarHBondContact O-N 3.22Å
82H97Very high90.8Very high141 Ų141101 Ų10165%0.65355%0.549SS*.Hα-helixtrans-65.2-43.9173-84-128000112C78 E80 L84 A85 S86C78-H82 WeakPolarHBondContact O-CB 3.4Å; C78-H82 PolarHBondContact O-CD2 2.71Å; C78-H82 PolarHBondContact O-N 2.88Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 2.97Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 3.26Å; H82-A85 PolarHBondContact O-N 3.08Å; H82-S86 PolarHBondContact O-N 2.93Å; H82-S86 PolarHBondContact O-OG 3.42Å
83K96.8Very high88.7Confident129 Ų129100 Ų10056%0.56155%0.55SS*.Hα-helixtrans-58.4-44174.7178.3-171.6172.9-1680111.6K79 E80 S86 Q87K79-K83 WeakPolarHBondContact O-CB 3.38Å; K79-K83 PolarHBondContact O-N 3.14Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.96Å; E80-K83 VanDerWaalsContact O-N 3.15Å; K83-S86 PolarHBondContact O-N 2.79Å; K83-Q87 WeakPolarHBondContact O-CB 3.41Å; K83-Q87 WeakPolarHBondContact O-CG 3.45Å; K83-Q87 PolarHBondContact O-N 3.31Å
84L96.1Very high86.4Confident83 Ų83103.8 Ų103.844%0.43557%0.567SS.*Hα-helixtrans-66.7-41.2176.7-70.4171000111.8E80 A81 H82 S86 Q87 L88E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 HydrophobicContact CG-CG 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.37Å; A81-L84 PolarHBondContact O-N 2.83Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 3.26Å; L84-S86 PolarHBondContact O-N 3.37Å; L84-Q87 PolarHBondContact O-N 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.29Å
85A96.1Very high84.1Confident55 Ų55103.4 Ų103.446%0.45557%0.569SS.*Hα-helixtrans-60.5-44.3173.800000111.7A81 H82 L88 Q89A81-A85 WeakPolarHBondContact O-CB 3.49Å; A81-A85 PolarHBondContact O-N 3.22Å; H82-A85 PolarHBondContact O-N 3.08Å; A85-L88 PolarHBondContact O-N 2.92Å; A85-Q89 WeakPolarHBondContact O-CB 3.5Å; A85-Q89 PolarHBondContact O-N 3.3Å
86S94.6Very high81.5Confident64 Ų64105 Ų10545%0.44858%0.576SS.*Hα-helixtrans-65.1-35.8173-61.30000112.8H82 K83 L84 L88 Q89 C90H82-S86 PolarHBondContact O-N 2.93Å; H82-S86 PolarHBondContact O-OG 3.42Å; K83-S86 PolarHBondContact O-N 2.79Å; L84-S86 PolarHBondContact O-N 3.37Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-Q89 PolarHBondContact O-N 3.42Å; S86-C90 VanDerWaalsContact O-CB 3.28Å; S86-C90 WeakPolarHBondContact O-CB 3.31Å; S86-C90 PolarHBondContact O-N 3.19Å; S86-C90 PolarHBondContact O-SG 3.17Å
87Q92.2Very high78.8Confident111 Ų111108 Ų10852%0.51959%0.585SS.*Hα-helixtrans-68-30.4173.9-77.6179.8-20.500113.1K83 L84 G91K83-Q87 WeakPolarHBondContact O-CB 3.41Å; K83-Q87 WeakPolarHBondContact O-CG 3.45Å; K83-Q87 PolarHBondContact O-N 3.31Å; L84-Q87 PolarHBondContact O-N 3.42Å; Q87-G91 WeakPolarHBondContact O-CA 3.3Å; Q87-G91 PolarHBondContact O-N 3.44Å
88L90.3Very high76.4Confident147 Ų147109.9 Ų109.977%0.7760%0.597SS**Hα-helixtrans-81.1-24.8173.7-67.9171.1000112.9L84 A85 S86L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.29Å; A85-L88 PolarHBondContact O-N 2.92Å; S86-L88 VanDerWaalsContact C-N 3.33Å
89Q84.9Confident73.9Confident164 Ų164113.6 Ų113.677%0.76661%0.612SS**Hα-helixtrans-86.9-38.2178-171.5173.812.600112.9A85 S86 G91A85-Q89 WeakPolarHBondContact O-CB 3.5Å; A85-Q89 PolarHBondContact O-N 3.3Å; S86-Q89 PolarHBondContact O-N 3.42Å; Q89-G91 VanDerWaalsContact C-N 3.33Å
90C79.3Confident70.9Confident110 Ų110112.8 Ų112.874%0.74362%0.617SS**SBendtrans-85.9-9.2170.1-58.70000112.2S86 E92S86-C90 VanDerWaalsContact O-CB 3.28Å; S86-C90 WeakPolarHBondContact O-CB 3.31Å; S86-C90 PolarHBondContact O-N 3.19Å; S86-C90 PolarHBondContact O-SG 3.17Å; C90-E92 PolarHBondContact O-N 3.05Å
91G60.2Low68.1Low45 Ų45113.4 Ų113.446%0.46463%0.629SS.*  trans-74.356.3167.900000111.3Q87 Q89Q87-G91 WeakPolarHBondContact O-CA 3.3Å; Q87-G91 PolarHBondContact O-N 3.44Å; Q89-G91 VanDerWaalsContact C-N 3.33Å
92E56.3Low65.1Low166 Ų166118.8 Ų118.878%0.77665%0.645SS**  trans-50.8130.7165-171.9171.4-177.100107.8C90 H94C90-E92 PolarHBondContact O-N 3.05Å; E92-H94 PolarHBondContact O-N 3.44Å
93P50.1Low62.3Low103 Ų103118 Ų11867%0.66965%0.65SS**  trans-59.6120.4-176.124.5-33.9000108.3V95P93-V95 HydrophobicContact CB-CG2 4.33Å; P93-V95 PolarHBondContact O-N 2.92Å
94H47.6Very low59.7Low178 Ų178116.6 Ų116.682%0.82466%0.663SS**  trans-7461.7-179.2-171.154.7000110.9E92 Q96E92-H94 PolarHBondContact O-N 3.44Å; H94-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 VanDerWaalsContact O-N 3.1Å
95V47.3Very low56.9Low90 Ų90117.9 Ų117.955%0.54568%0.679SS.*  trans-66.3102.6161.6-172.90000105.3P93 N97P93-V95 HydrophobicContact CB-CG2 4.33Å; P93-V95 PolarHBondContact O-N 2.92Å; V95-N97 WeakPolarHBondContact CG1-OD1 3.34Å; V95-N97 PolarHBondContact O-N 3.36Å
96Q42.7Very low54.4Low135 Ų135123.3 Ų123.363%0.63170%0.7SS**  trans-7071.5168.6-68.7-173.8700109H94 T98H94-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-T98 HydrophobicContact CB-CG2 4.42Å; Q96-T98 PolarHBondContact O-N 3.05Å
97N39.4Very low52Low117 Ų117124.3 Ų124.363%0.62671%0.713SS**  trans-67.584.5162.7-77.4-31.4000107V95 N99V95-N97 WeakPolarHBondContact CG1-OD1 3.34Å; V95-N97 PolarHBondContact O-N 3.36Å; N97-N99 PolarHBondContact O-N 3.02Å
98T45.4Very low49.4Very low115 Ų115126.2 Ų126.271%0.70673%0.726SS**  trans-71.942.9175.546.90000112.1Q96 T100Q96-T98 HydrophobicContact CB-CG2 4.42Å; Q96-T98 PolarHBondContact O-N 3.05Å; T98-T100 PolarHBondContact O-N 2.69Å
99N44.5Very low47.3Very low142 Ų142125.7 Ų125.776%0.75973%0.73SS**  trans-80.740.4170-67.5-14.3000110.8N97 T101N97-N99 PolarHBondContact O-N 3.02Å; N99-T101 PolarHBondContact O-N 2.9Å
100T33.6Very low45.7Very low102 Ų102125.9 Ų125.963%0.62674%0.736SS**  trans-80.2106.7168.5-580000107.3T98 H102T98-T100 PolarHBondContact O-N 2.69Å; T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-CD2 3.38Å; T100-H102 PolarHBondContact O-N 3.17Å
101T39.5Very low44.1Very low131 Ų131125 Ų12580%0.80473%0.731SS**  trans-62.390.9176.4-52.30000110.6N99 T103N99-T101 PolarHBondContact O-N 2.9Å; T101-T103 PolarHBondContact O-N 2.96Å
102H34Very low43.6Very low166 Ų166127 Ų12777%0.76973%0.734SS**  trans-7296.3174.7-91.6-91.7000110.6T100T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-CD2 3.38Å; T100-H102 PolarHBondContact O-N 3.17Å
103T37.5Very low43.2Very low124 Ų124123.3 Ų123.376%0.76173%0.732SS**  trans-58.2138.4150.546.60000109T101T101-T103 PolarHBondContact O-N 2.96Å
104A42Very low43.3Very low101 Ų101122.4 Ų122.484%0.83573%0.733SS**  trans-66.8141.2-164.200000115.3
105S38.3Very low43.5Very low109 Ų109117.9 Ų117.976%0.76272%0.718SS**  trans-158.1123.7149.3600000108.6
106D43.9Very low43.7Very low169 Ų169119 Ų11990%0.90472%0.717SS**  trans-69.6132.9-172.1-52.6-96000113.9
107A43.3Very low44.4Very low86 Ų86119.7 Ų119.771%0.71172%0.721SS**  trans-159.5131.2158.100000111.9
108D37.1Very low45Very low151 Ų151121.6 Ų121.681%0.80772%0.724SS**  trans52.564.5152.2-55.6-23.2000119.8N110D108-N110 VanDerWaalsContact C-N 3.34Å; D108-N110 PolarHBondContact O-N 3.38Å
109T47.2Very low45.7Very low136 Ų136121.3 Ų121.383%0.83472%0.717SS**  trans-68.778.4163.645.70000112.8
110N50.8Low46.4Very low167 Ų167120.4 Ų120.489%0.89371%0.708SS**SBendtrans-151.78171.1-107.9-36.5000117.6D108D108-N110 VanDerWaalsContact C-N 3.34Å; D108-N110 PolarHBondContact O-N 3.38Å
111S45.6Very low47.6Very low93 Ų93120.5 Ų120.565%0.6570%0.704SS**SBendtrans-115.2-12.6-179.756.60000115.4
112V49Very low48.7Very low86 Ų86117.1 Ų117.152%0.52168%0.684SS.*THydrogen-bonded Turntrans-77.1-28.8-166.7178.90000113.9A114 T115 E116V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 3.24Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.97Å; V112-T115 VanDerWaalsContact O-OG1 3.08Å; V112-E116 PolarHBondContact O-N 3.31Å
113A48.3Very low50.1Low89 Ų89116 Ų11674%0.73668%0.679SS**Hα-helixtrans-62.7-30.8-170.800000114.7
114A52.4Low51.4Low84 Ų84115 Ų11569%0.69467%0.672SS**Hα-helixtrans-87.3-14.6-175.900000114.1V112V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 3.24Å
115T52Low52.4Low82 Ų82116.8 Ų116.850%0.50366%0.661SS.*Hα-helixtrans-96-29.7179.943.50000112.7V112 I119V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.97Å; V112-T115 VanDerWaalsContact O-OG1 3.08Å; T115-I119 WeakPolarHBondContact O-CG1 3.28Å; T115-I119 PolarHBondContact O-N 3.13Å
116E52.1Low53.6Low114 Ų114117.2 Ų117.253%0.53365%0.654SS.*Hα-helixtrans-70.7-43.2-177.3-166167.9-179.500112.6V112 F118 I119 Q120V112-E116 PolarHBondContact O-N 3.31Å; E116-F118 PolarHBondContact O-N 3.37Å; E116-I119 PolarHBondContact O-N 3.12Å; E116-Q120 WeakPolarHBondContact O-CB 3.5Å; E116-Q120 PolarHBondContact O-N 3.23Å
117E56.7Low54.2Low150 Ų150110.6 Ų110.670%0.70163%0.626SS**Hα-helixtrans-54.9-48176.9-175.8179.6-159.100111.7I119 Q120 D121E117-I119 PolarHBondContact O-N 3.38Å; E117-Q120 PolarHBondContact O-N 3.45Å; E117-D121 WeakPolarHBondContact O-CB 3.16Å; E117-D121 PolarHBondContact O-N 2.96Å
118F52.3Low54.9Low157 Ų157112.7 Ų112.769%0.68963%0.625SS**Hα-helixtrans-69.9-32.6-176.8-156.4-91.2000113E116 T122E116-F118 PolarHBondContact O-N 3.37Å; F118-T122 HydrophobicContact CD1-CG2 4.43Å; F118-T122 HydrophobicContact CE1-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CG2 3.48Å; F118-T122 PolarHBondContact O-N 3.46Å
119I59.7Low55.9Low109 Ų109110.9 Ų110.956%0.55962%0.615SS**Hα-helixtrans-68.8-48.7174.3-68.1168.3000109.7T115 E116 E117 D121 T122 E123T115-I119 WeakPolarHBondContact O-CG1 3.28Å; T115-I119 PolarHBondContact O-N 3.13Å; E116-I119 PolarHBondContact O-N 3.12Å; E117-I119 PolarHBondContact O-N 3.38Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.44Å; I119-T122 PolarHBondContact O-N 3.37Å; I119-T122 PolarHBondContact O-OG1 3.3Å; I119-E123 PolarHBondContact O-N 2.88Å
120Q60.1Low56.1Low122 Ų122106.7 Ų106.757%0.5760%0.599SS**Hα-helixtrans-61.1-40-179.2-165.5163.19100111.7E116 E117 T122 E123 V124E116-Q120 WeakPolarHBondContact O-CB 3.5Å; E116-Q120 PolarHBondContact O-N 3.23Å; E117-Q120 PolarHBondContact O-N 3.45Å; Q120-T122 VanDerWaalsContact C-N 3.35Å; Q120-T122 PolarHBondContact O-N 3.1Å; Q120-E123 PolarHBondContact O-N 3.38Å; Q120-V124 WeakPolarHBondContact O-CG2 3.43Å; Q120-V124 PolarHBondContact O-N 2.57Å
121D58.5Low56.1Low104 Ų104106.4 Ų106.456%0.55659%0.591SS**Hα-helixtrans-65.1-35.7174.6-149.448.2000112E117 I119 K125E117-D121 WeakPolarHBondContact O-CB 3.16Å; E117-D121 PolarHBondContact O-N 2.96Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.44Å; D121-K125 WeakPolarHBondContact O-CB 3.49Å; D121-K125 PolarHBondContact O-N 3.14Å; D121-K125 VanDerWaalsContact O-N 3.08Å
122T62Low56.1Low60 Ų60106.5 Ų106.537%0.36859%0.588SS.*Hα-helixtrans-69.7-35.3172.560.90000113.7F118 I119 Q120 K125 L126F118-T122 HydrophobicContact CD1-CG2 4.43Å; F118-T122 HydrophobicContact CE1-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CG2 3.48Å; F118-T122 PolarHBondContact O-N 3.46Å; I119-T122 PolarHBondContact O-N 3.37Å; I119-T122 PolarHBondContact O-OG1 3.3Å; Q120-T122 VanDerWaalsContact C-N 3.35Å; Q120-T122 PolarHBondContact O-N 3.1Å; T122-K125 PolarHBondContact O-N 2.93Å; T122-L126 WeakPolarHBondContact O-CB 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.38Å; T122-L126 PolarHBondContact O-N 3.48Å
123E64.5Low56Low144 Ų144106.5 Ų106.567%0.67360%0.597SS**Hα-helixtrans-72-43.6179.3-169.1169.4-13500111.5I119 Q120 K125 L126 G127I119-E123 PolarHBondContact O-N 2.88Å; Q120-E123 PolarHBondContact O-N 3.38Å; E123-K125 VanDerWaalsContact C-N 3.29Å; E123-K125 PolarHBondContact O-N 2.98Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-G127 PolarHBondContact O-N 3.01Å
124V64.8Low56Low102 Ų102106.8 Ų106.862%0.61859%0.594SS**Hα-helixtrans-59.7-41172.1172.70000111.1Q120 G127 L128Q120-V124 WeakPolarHBondContact O-CG2 3.43Å; Q120-V124 PolarHBondContact O-N 2.57Å; V124-G127 PolarHBondContact O-N 3.02Å; V124-L128 PolarHBondContact O-N 3.08Å; V124-L128 VanDerWaalsContact O-N 3.09Å
125K62.5Low55.8Low138 Ų138107.1 Ų107.160%0.659%0.591SS**Hα-helixtrans-69.9-31.7177.8-169.1174.4-168.1167.80113.2D121 T122 E123 L129D121-K125 WeakPolarHBondContact O-CB 3.49Å; D121-K125 PolarHBondContact O-N 3.14Å; D121-K125 VanDerWaalsContact O-N 3.08Å; T122-K125 PolarHBondContact O-N 2.93Å; E123-K125 VanDerWaalsContact C-N 3.29Å; E123-K125 PolarHBondContact O-N 2.98Å; K125-L129 WeakPolarHBondContact O-CD1 3.38Å
126L62.2Low55.9Low118 Ų118111 Ų11162%0.61861%0.608SS**Hα-helixtrans-73.1-37.5169.6-83.4164.3000112T122 E123 L128 L129 G130T122-L126 WeakPolarHBondContact O-CB 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.38Å; T122-L126 PolarHBondContact O-N 3.48Å; E123-L126 PolarHBondContact O-N 3.23Å; L126-L128 PolarHBondContact O-N 3.03Å; L126-L129 WeakPolarHBondContact O-CA 3.42Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 2.77Å; L126-G130 PolarHBondContact O-N 2.71Å
127G57.3Low56Low31 Ų31110.8 Ų110.832%0.3261%0.61SS.*Hα-helixtrans-56.4-38.1171.700000112.5E123 V124 L129 G130 H131E123-G127 PolarHBondContact O-N 3.01Å; V124-G127 PolarHBondContact O-N 3.02Å; G127-L129 VanDerWaalsContact C-N 3.3Å; G127-L129 PolarHBondContact O-N 3.27Å; G127-G130 WeakPolarHBondContact O-CA 3.19Å; G127-G130 PolarHBondContact O-N 2.8Å; G127-H131 PolarHBondContact O-CD2 2.82Å; G127-H131 PolarHBondContact O-N 3.36Å
128L59Low55.8Low130 Ų130108.9 Ų108.968%0.68161%0.611SS**Hα-helixtrans-61.7-33.5173.9-167.965.5000113.1V124 L126V124-L128 PolarHBondContact O-N 3.08Å; V124-L128 VanDerWaalsContact O-N 3.09Å; L126-L128 PolarHBondContact O-N 3.03Å
129L58Low56.1Low113 Ų113108.7 Ų108.759%0.59262%0.616SS**Hα-helixtrans-75.2-37.8168.7-79.597.1000112.1K125 L126 G127 H131 T132K125-L129 WeakPolarHBondContact O-CD1 3.38Å; L126-L129 WeakPolarHBondContact O-CA 3.42Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 2.77Å; G127-L129 VanDerWaalsContact C-N 3.3Å; G127-L129 PolarHBondContact O-N 3.27Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 3.48Å; L129-T132 WeakPolarHBondContact O-CA 3.39Å; L129-T132 WeakPolarHBondContact O-CB 3.34Å; L129-T132 PolarHBondContact O-N 2.75Å; L129-T132 PolarHBondContact O-OG1 2.75Å
130G51Low56.4Low48 Ų48112 Ų11250%0.49563%0.626SS.*Hα-helixtrans-53.4-40.9179.400000113.4L126 G127 T132 A133L126-G130 PolarHBondContact O-N 2.71Å; G127-G130 WeakPolarHBondContact O-CA 3.19Å; G127-G130 PolarHBondContact O-N 2.8Å; G130-T132 PolarHBondContact O-N 3.26Å; G130-A133 VanDerWaalsContact O-CB 3.28Å; G130-A133 WeakPolarHBondContact O-CB 3.48Å; G130-A133 PolarHBondContact O-N 3.06Å; G130-A133 VanDerWaalsContact O-N 3.13Å
131H49.8Very low56.9Low160 Ų160116.6 Ų116.674%0.74164%0.638SS**G310 helixtrans-66.7-14.3176-64.8-56.3000114.8G127 L129 S134G127-H131 PolarHBondContact O-CD2 2.82Å; G127-H131 PolarHBondContact O-N 3.36Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 3.48Å; H131-S134 PolarHBondContact O-OG 3.03Å
132T46.7Very low57.4Low95 Ų95120 Ų12058%0.58365%0.651SS**G310 helixtrans-86.4-2.9174.173.30000114L129 G130 S134L129-T132 WeakPolarHBondContact O-CA 3.39Å; L129-T132 WeakPolarHBondContact O-CB 3.34Å; L129-T132 PolarHBondContact O-N 2.75Å; L129-T132 PolarHBondContact O-OG1 2.75Å; G130-T132 PolarHBondContact O-N 3.26Å; T132-S134 PolarHBondContact O-N 3.01Å
133A46.4Very low58.1Low87 Ų87123.1 Ų123.172%0.71967%0.67SS**G310 helixtrans-672.9174.300000114.4G130 S135G130-A133 VanDerWaalsContact O-CB 3.28Å; G130-A133 WeakPolarHBondContact O-CB 3.48Å; G130-A133 PolarHBondContact O-N 3.06Å; G130-A133 VanDerWaalsContact O-N 3.13Å; A133-S135 VanDerWaalsContact C-N 3.25Å; A133-S135 PolarHBondContact O-N 3.26Å
134S47.7Very low58.5Low95 Ų95124.1 Ų124.166%0.66467%0.672SS**SBendtrans-71.570.9176.848.40000112.9H131 T132H131-S134 PolarHBondContact O-OG 3.03Å; T132-S134 PolarHBondContact O-N 3.01Å
135S49.4Very low58.7Low90 Ų90125.2 Ų125.263%0.62968%0.683SS**  trans59.782.1172.868.50000115.2A133 N137A133-S135 VanDerWaalsContact C-N 3.25Å; A133-S135 PolarHBondContact O-N 3.26Å; S135-N137 VanDerWaalsContact C-N 3.28Å; S135-N137 PolarHBondContact O-N 2.9Å; S135-N137 PolarHBondContact O-ND2 3.49Å
136L52.2Low59.6Low164 Ų164122.7 Ų122.786%0.85968%0.679SS**  trans-57.296.3157-71-180000108.8
137N55.6Low60Low109 Ų109124.1 Ų124.158%0.58368%0.682SS**  trans-57.9127.8179.6-88.6-110000108S135 I139S135-N137 VanDerWaalsContact C-N 3.28Å; S135-N137 PolarHBondContact O-N 2.9Å; S135-N137 PolarHBondContact O-ND2 3.49Å; N137-I139 PolarHBondContact O-N 3.26Å; N137-I139 VanDerWaalsContact O-N 3.14Å
138P52.7Low60.9Low110 Ų110129.1 Ų129.171%0.71470%0.702SS**  trans-55.9124.4-170.321.3-33.4000109.8K140P138-K140 PolarHBondContact O-N 3.18Å
139I58.9Low61.9Low154 Ų154125.1 Ų125.179%0.7968%0.684SS**  trans-48108-166.4-69.8177.1000110N137 R141N137-I139 PolarHBondContact O-N 3.26Å; N137-I139 VanDerWaalsContact O-N 3.14Å; I139-R141 HydrophobicContact CG2-CG 4.15Å; I139-R141 PolarHBondContact O-N 2.92Å
140K64.8Low62.8Low177 Ų177124 Ų12477%0.7768%0.684SS**  trans-73.980.2178.2-71177.9-178.5167.40108.3P138 Q142P138-K140 PolarHBondContact O-N 3.18Å; K140-Q142 PolarHBondContact O-N 2.92Å
141R71.9Confident64.2Low220 Ų220124.6 Ų124.683%0.8368%0.676SS**  trans-55.799.4174.1-59.5-176.281.2-171.76.8108.3I139 T143I139-R141 HydrophobicContact CG2-CG 4.15Å; I139-R141 PolarHBondContact O-N 2.92Å; R141-T143 VanDerWaalsContact C-N 3.33Å; R141-T143 PolarHBondContact O-N 3.35Å
142Q68.5Low65.4Low175 Ų175125.2 Ų125.282%0.81867%0.671SS**  trans-74.586.9-176.3-175.9174.3-10.600109.3K140 F144K140-Q142 PolarHBondContact O-N 2.92Å; Q142-F144 PolarHBondContact O-N 2.88Å
143T75.4Confident67Low125 Ų125128.4 Ų128.477%0.76768%0.68SS**  trans-68.797.4174.751.30000109.4R141R141-T143 VanDerWaalsContact C-N 3.33Å; R141-T143 PolarHBondContact O-N 3.35Å
144F74.1Confident68.9Low166 Ų166127.5 Ų127.573%0.72866%0.662SS**  trans-67.7133.3171.653.1-89.2000110.3Q142 V146Q142-F144 PolarHBondContact O-N 2.88Å; F144-V146 HydrophobicContact CD2-CG2 3.86Å; F144-V146 HydrophobicContact CE2-CG2 3.68Å; F144-V146 PolarHBondContact O-N 2.77Å; F144-V146 VanDerWaalsContact O-N 3.11Å
145C68.9Low70.9Confident124 Ų124126.8 Ų126.884%0.83866%0.656SS**  trans-75.6100.1173.9-60.60000109.4Q147C145-Q147 PolarHBondContact O-N 3.11Å
146V80.6Confident72.6Confident85 Ų85126.5 Ų126.552%0.51565%0.651SS.*  trans-56.1120.1168.3179.30000108.5F144 D148 S149F144-V146 HydrophobicContact CD2-CG2 3.86Å; F144-V146 HydrophobicContact CE2-CG2 3.68Å; F144-V146 PolarHBondContact O-N 2.77Å; F144-V146 VanDerWaalsContact O-N 3.11Å; V146-D148 PolarHBondContact O-N 3.46Å; V146-S149 WeakPolarHBondContact O-CB 3.28Å; V146-S149 PolarHBondContact O-N 3.06Å; V146-S149 VanDerWaalsContact O-N 3.12Å
147Q70.9Confident74.2Confident149 Ų149122.2 Ų122.270%0.69664%0.64SS**THydrogen-bonded Turntrans-64.2-27.2-173.1-60.4-162.130.200112.5C145 R152C145-Q147 PolarHBondContact O-N 3.11Å; Q147-R152 VanDerWaalsContact O-CD 3.25Å; Q147-R152 WeakPolarHBondContact O-CD 3.36Å; Q147-R152 PolarHBondContact O-NH1 2.89Å
148D77.4Confident75.5Confident136 Ų136119.7 Ų119.773%0.72763%0.628SS**THydrogen-bonded Turntrans-99.527.8178.8-51.1-65.5000112.7V146V146-D148 PolarHBondContact O-N 3.46Å
149S78.4Confident77.1Confident45 Ų45116.9 Ų116.932%0.31561%0.605SS.*  trans-49.9131.2173.5178.90000110.8V146 L151 R152V146-S149 WeakPolarHBondContact O-CB 3.28Å; V146-S149 PolarHBondContact O-N 3.06Å; V146-S149 VanDerWaalsContact O-N 3.12Å; S149-L151 PolarHBondContact O-N 2.94Å; S149-R152 WeakPolarHBondContact O-CB 3.35Å; S149-R152 PolarHBondContact O-N 2.84Å
150P78.1Confident78.2Confident89 Ų89115.4 Ų115.458%0.57860%0.595SS**G310 helixtrans-60.9-16.8-178.224.4-34.4000113.1R152 Q153P150-R152 PolarHBondContact O-N 3.46Å; P150-Q153 WeakPolarHBondContact O-CB 3.35Å; P150-Q153 PolarHBondContact O-N 3.42Å
151L79.2Confident78.9Confident62 Ų62114 Ų11433%0.32559%0.591SS.*G310 helixtrans-51.5-35167.5-170.768000112.6S149 Q153 L154 Q159 L162 L163S149-L151 PolarHBondContact O-N 2.94Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.89Å; L151-L154 HydrophobicContact CD1-CD1 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 2.92Å; L151-Q159 VanDerWaalsContact O-CG 3.31Å; L151-Q159 WeakPolarHBondContact O-CG 3.31Å; L151-Q159 PolarHBondContact O-NE2 3.15Å; L151-L162 HydrophobicContact CD1-CB 4.31Å; L151-L162 HydrophobicContact CD1-CD1 3.54Å; L151-L163 HydrophobicContact CD2-CD1 3.82Å
152R75.2Confident79.3Confident173 Ų173107.5 Ų107.565%0.65357%0.572SS**G310 helixtrans-71.9-17.2176.3-78.2178.9156.2-171.1-9.5114.3Q147 S149 P150 Q159Q147-R152 VanDerWaalsContact O-CD 3.25Å; Q147-R152 WeakPolarHBondContact O-CD 3.36Å; Q147-R152 PolarHBondContact O-NH1 2.89Å; S149-R152 WeakPolarHBondContact O-CB 3.35Å; S149-R152 PolarHBondContact O-N 2.84Å; P150-R152 PolarHBondContact O-N 3.46Å; R152-Q159 PolarHBondContact O-NE2 2.96Å
153Q81.4Confident79.7Confident162 Ų162104 Ų10476%0.75756%0.559SS**G310 helixtrans-83.1-17.5175-54.2177.911.200111.8P150 L151P150-Q153 WeakPolarHBondContact O-CB 3.35Å; P150-Q153 PolarHBondContact O-N 3.42Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.89Å
154L85.6Confident79.7Confident67 Ų67107.2 Ų107.235%0.35156%0.557SS.*SBendtrans-74.6148.6176.1-54.3-175.7000111.4L151 V158 Q159 L162L151-L154 HydrophobicContact CD1-CD1 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 2.92Å; L154-V158 HydrophobicContact CB-CB 4.25Å; L154-V158 HydrophobicContact CB-CG1 4.39Å; L154-V158 HydrophobicContact CD1-CG1 3.86Å; L154-Q159 HydrophobicContact CB-CG 4.3Å; L154-Q159 PolarHBondContact O-NE2 3.38Å; L154-L162 HydrophobicContact CD1-CD1 3.69Å
155P89.3Confident78.8Confident81 Ų81102 Ų10253%0.52655%0.549SS..  trans-57.3146.5173.7-25.534.9000112.6A157 V158 Q159P155-A157 PolarHBondContact O-N 3.48Å; P155-V158 PolarHBondContact O-N 2.84Å; P155-Q159 PolarHBondContact O-N 3.27Å
156P84.9Confident78.2Confident83 Ų83100.5 Ų100.554%0.53954%0.541SS..Hα-helixtrans-53.8-33.2-174.8-30.136000115.2V158 Q159 H160P156-V158 VanDerWaalsContact C-N 3.33Å; P156-V158 PolarHBondContact O-N 2.82Å; P156-Q159 PolarHBondContact O-N 3.35Å; P156-H160 WeakPolarHBondContact O-CB 3.43Å; P156-H160 PolarHBondContact O-CD2 3.37Å; P156-H160 PolarHBondContact O-N 3.48Å
157A85.7Confident77Confident75 Ų75101 Ų10162%0.6255%0.548SS*.Hα-helixtrans-59.5-42.6175.100000112.4P155 Q161P155-A157 PolarHBondContact O-N 3.48Å; A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 PolarHBondContact O-N 2.91Å
158V84Confident76Confident56 Ų5699.1 Ų99.134%0.33955%0.551SS.*Hα-helixtrans-72.2-40179-172.50000110.4L154 P155 P156 H160 Q161 L162L154-V158 HydrophobicContact CB-CB 4.25Å; L154-V158 HydrophobicContact CB-CG1 4.39Å; L154-V158 HydrophobicContact CD1-CG1 3.86Å; P155-V158 PolarHBondContact O-N 2.84Å; P156-V158 VanDerWaalsContact C-N 3.33Å; P156-V158 PolarHBondContact O-N 2.82Å; V158-H160 PolarHBondContact O-N 2.94Å; V158-Q161 PolarHBondContact O-N 2.85Å; V158-L162 HydrophobicContact CG1-CD1 4.03Å; V158-L162 HydrophobicContact CG1-CG 4.42Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.87Å
159Q86.9Confident74.5Confident50 Ų5097.2 Ų97.223%0.23455%0.549CS..Hα-helixtrans-55.7-51.4172.4-60.9-176.813.400111.1L151 R152 L154 P155 P156 Q161 L162 L163L151-Q159 VanDerWaalsContact O-CG 3.31Å; L151-Q159 WeakPolarHBondContact O-CG 3.31Å; L151-Q159 PolarHBondContact O-NE2 3.15Å; R152-Q159 PolarHBondContact O-NE2 2.96Å; L154-Q159 HydrophobicContact CB-CG 4.3Å; L154-Q159 PolarHBondContact O-NE2 3.38Å; P155-Q159 PolarHBondContact O-N 3.27Å; P156-Q159 PolarHBondContact O-N 3.35Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q159-L162 PolarHBondContact O-N 3.23Å; Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 VanDerWaalsContact O-CD1 3.3Å; Q159-L163 WeakPolarHBondContact O-CD1 3.37Å; Q159-L163 PolarHBondContact O-N 3.4Å
160H81.9Confident72.4Confident123 Ų123106.7 Ų106.757%0.56958%0.577SS**Hα-helixtrans-64.3-32.6178.9-70-48.7000113.3P156 V158 R164P156-H160 WeakPolarHBondContact O-CB 3.43Å; P156-H160 PolarHBondContact O-CD2 3.37Å; P156-H160 PolarHBondContact O-N 3.48Å; V158-H160 PolarHBondContact O-N 2.94Å; H160-R164 WeakPolarHBondContact O-CB 3.34Å; H160-R164 PolarHBondContact O-N 3.45Å
161Q79.7Confident70.5Confident147 Ų147107 Ų10769%0.68759%0.588SS**Hα-helixtrans-70.5-44.1177-168.6169.37.400111.7A157 V158 Q159 R164 G165A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 PolarHBondContact O-N 2.91Å; V158-Q161 PolarHBondContact O-N 2.85Å; Q159-Q161 VanDerWaalsContact C-N 3.31Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q161-R164 PolarHBondContact O-N 2.91Å; Q161-G165 PolarHBondContact O-N 2.72Å
162L79.5Confident68.2Low84 Ų84110.1 Ų110.144%0.4462%0.615SS.*Hα-helixtrans-64.6-49.1176.3-69.3169.6000111.7L151 L154 V158 Q159 R164 G165 S166L151-L162 HydrophobicContact CD1-CB 4.31Å; L151-L162 HydrophobicContact CD1-CD1 3.54Å; L154-L162 HydrophobicContact CD1-CD1 3.69Å; V158-L162 HydrophobicContact CG1-CD1 4.03Å; V158-L162 HydrophobicContact CG1-CG 4.42Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.87Å; Q159-L162 PolarHBondContact O-N 3.23Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.37Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-G165 VanDerWaalsContact O-N 3.13Å; L162-S166 PolarHBondContact O-N 3.45Å; L162-S166 VanDerWaalsContact O-N 3.12Å; L162-S166 PolarHBondContact O-OG 2.85Å
163L77.6Confident66.1Low103 Ų103107.8 Ų107.854%0.53963%0.625SS.*Hα-helixtrans-59.5-37176-93.471.9000112.3L151 Q159 S166 S167L151-L163 HydrophobicContact CD2-CD1 3.82Å; Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 VanDerWaalsContact O-CD1 3.3Å; Q159-L163 WeakPolarHBondContact O-CD1 3.37Å; Q159-L163 PolarHBondContact O-N 3.4Å; L163-S166 PolarHBondContact O-N 3.37Å; L163-S167 PolarHBondContact O-N 3.37Å
164R75.1Confident63.8Low192 Ų192105 Ų10573%0.72562%0.624SS**Hα-helixtrans-67.2-40.2176.4-173.5175.6-64.8-132.9-1.4111.5H160 Q161 L162 S166 S167H160-R164 WeakPolarHBondContact O-CB 3.34Å; H160-R164 PolarHBondContact O-N 3.45Å; Q161-R164 PolarHBondContact O-N 2.91Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.37Å; R164-S166 PolarHBondContact O-N 2.94Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.23Å
165G55.5Low61.6Low55 Ų55112.5 Ų112.557%0.56765%0.647SS**Hα-helixtrans-58.2-44.8173.400000112.9Q161 L162 S167Q161-G165 PolarHBondContact O-N 2.72Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-G165 VanDerWaalsContact O-N 3.13Å; G165-S167 PolarHBondContact O-N 3.25Å
166S56Low59.2Low94 Ų94114.6 Ų114.666%0.65766%0.661SS**Hα-helixtrans-66.5-18.5178.7-53.70000114.6L162 L163 R164 S168L162-S166 PolarHBondContact O-N 3.45Å; L162-S166 VanDerWaalsContact O-N 3.12Å; L162-S166 PolarHBondContact O-OG 2.85Å; L163-S166 PolarHBondContact O-N 3.37Å; R164-S166 PolarHBondContact O-N 2.94Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.92Å
167S53.9Low56.9Low94 Ų94114.9 Ų114.966%0.65767%0.67SS**THydrogen-bonded Turntrans-78.7-5.9-175.969.50000115.1L163 R164 G165L163-S167 PolarHBondContact O-N 3.37Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.23Å; G165-S167 PolarHBondContact O-N 3.25Å
168S51.3Low54.4Low110 Ų110116.1 Ų116.177%0.76968%0.68SS**THydrogen-bonded Turntrans-94.42.9-170.3-164.40000115.9S166S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.92Å
169S45.2Very low52.1Low97 Ų97125.1 Ų125.168%0.67871%0.708SS**SBendtrans-130.640.4-165.557.70000116.8
170R34.9Very low49.7Very low243 Ų243131.1 Ų131.192%0.91774%0.741SS**SBendtrans-158.399.1149.2-119.4163.1172.2166.6-3.7116.2
171A37.1Very low47.2Very low97 Ų97131.8 Ų131.880%0.80275%0.754SS**  trans24.9124.2149.300000121.6
172S31.4Very low45.2Very low126 Ų126130.8 Ų130.888%0.88176%0.758SS**  -172121.3120.530.90000113.2
173S30.4Very low43Very low124 Ų124132.4 Ų132.487%0.86778%0.776SS**  trans-170.7142.5143.5-171.40000109.8
174S34.9Very low40.9Very low105 Ų105133.1 Ų133.173%0.73479%0.789SS**  trans-76.2152.7175.345.60000112.7
175R38.8Very low39.3Very low223 Ų223130 Ų13084%0.84279%0.794SS**  trans-65.8156158-82.4-176.6170.2-177.8-2.4109.6
176P38.1Very low38.1Very low126 Ų126135.9 Ų135.982%0.81881%0.809SS**  -114.4161.194.233.8-36000112.8
177A36.1Very low37.1Very low88 Ų88138.7 Ų138.773%0.72782%0.822SS**  trans-93.2131.1173.700000110.6
178A34.8Very low36.2Very low101 Ų101137.5 Ų137.584%0.83583%0.825SS**  trans-132.8149.1169.800000109.7
179R34.5Very low35.6Very low245 Ų245137 Ų13793%0.92583%0.827SS**  trans-74.6155.9-159.6-65.7171.4174.7173.6-4114.4V181R179-V181 PolarHBondContact O-N 3.47Å
180L36.7Very low35.4Very low176 Ų176143.3 Ų143.392%0.92184%0.836SS**  trans-52.8126.5163-67.4159.2000111.7
181V29.8Very low35.6Very low138 Ų138137.8 Ų137.884%0.83683%0.831SS**  trans-142.2152.8150.1-176.10000107.8R179R179-V181 PolarHBondContact O-N 3.47Å
182T37.8Very low35.5Very low126 Ų126142 Ų14277%0.77384%0.835SS**  trans-84.8-176-175.752.20000113.6
183S32.4Very low35.5Very low118 Ų118139.6 Ų139.683%0.82582%0.823SS**  trans88139.6170.178.30000118.1
184S33.3Very low36.1Very low117 Ų117145.1 Ų145.182%0.81882%0.824SS**  trans-90.6162.1-178.6-39.60000112
185P42.1Very low36.7Very low126 Ų126146.1 Ų146.182%0.81883%0.828SS**  trans-123.7159.9143.836-27.7000113.1
186M30.9Very low36.5Very low180 Ų180140.4 Ų140.489%0.88783%0.829SS**  trans-73.7161.2-177.9-65.6165.660.300113.4G188M186-G188 PolarHBondContact O-N 3.45Å
187V34.2Very low36.8Very low152 Ų152143 Ų14392%0.92184%0.835SS**  trans-66.7113.6167.3175.70000110.4
188G35.9Very low36.9Very low70 Ų70150.8 Ų150.872%0.72285%0.846SS**  trans-108.4146.4165.900000111.2M186M186-G188 PolarHBondContact O-N 3.45Å
189A37.4Very low36.9Very low99 Ų99149.8 Ų149.882%0.81885%0.845SS**  trans-90.1148.2-165.300000115.7
190R40.9Very low37.3Very low229 Ų229147.8 Ų147.886%0.86484%0.843SS**  trans46.8120.1156.1-86.6-170.5168.3-146.7-0.9120
191P39.3Very low37.2Very low127 Ų127144.2 Ų144.283%0.82584%0.838SS**  trans-85.8132156.333.9-30.7000112.4
192Q35.1Very low37.4Very low186 Ų186141.6 Ų141.687%0.86983%0.832SS**  trans-144.2144.9154.4-104.8-66.9-9.800106.7
193A32.4Very low37.3Very low76 Ų76144.4 Ų144.463%0.62884%0.841SS**  trans-134.5149.4-149.900000116
194R42.5Very low37.3Very low239 Ų239142.7 Ų142.790%0.90284%0.842SS**  trans72.6164.1170.3-50.1-176.2167-167.5-4.6114.3
195P46.9Very low37.3Very low126 Ų126141.8 Ų141.882%0.81884%0.842SS**  -127.3160.1-77.333.1-16.5000112.9
196A35.3Very low36.8Very low103 Ų103140 Ų14085%0.85184%0.838SS**  trans-77.6130.5-179.400000113
197L44.4Very low37Very low182 Ų182138 Ų13895%0.95384%0.836SS**  trans-132.5155.4150.7-92.7175.2000109.7
198R38.2Very low36.9Very low251 Ų251135.5 Ų135.595%0.94783%0.83SS**  trans-117.5111.4-154.2-179.4-170.1-168.6-130.812.6111.1
199G34.6Very low37.2Very low79 Ų79140.1 Ų140.181%0.81484%0.838SS**  trans-166.4112.7179.100000114.1
200K43.9Very low37.8Very low203 Ų203140.6 Ų140.688%0.88383%0.832SS**  trans-61.9148.2-176.3-58.3171.8173.4-178.50114.6
201A34.8Very low37.4Very low101 Ų101134.9 Ų134.984%0.83583%0.828SS**  trans63.4154.1141.500000119.7
202A32.3Very low37.5Very low84 Ų84138.4 Ų138.469%0.69483%0.83SS**  cis-167.4159.2-23.800000109.5
203L36.3Very low37.9Very low185 Ų185135.5 Ų135.597%0.96983%0.828SS**  trans63.1166.9170-67.6159.4000116.6
204G32.9Very low38Very low82 Ų82138.5 Ų138.585%0.84584%0.838SS**  trans113.691.4172.300000114.3
205A33.3Very low37.7Very low98 Ų98131.1 Ų131.181%0.8183%0.828SS**  trans-107.5141.3170.300000111.1
206A31.7Very low37.9Very low89 Ų89131 Ų13174%0.73683%0.827SS**  trans64.4153.8157.400000120.6
207T34.3Very low37.7Very low138 Ų138131.1 Ų131.185%0.84783%0.828SS**  trans49.7104.5154.148.90000120.1
208A33.1Very low37.1Very low98 Ų98125.7 Ų125.781%0.8182%0.816SS**  -171.4144.1114.900000112.9
209L41.5Very low36.8Very low167 Ų167119.3 Ų119.387%0.87481%0.81SS**  trans-93.2168.9152.5-69.6174000107.3
210P50.5Low36.5Very low109 Ų109127.1 Ų127.171%0.70882%0.815SS**  cis-146-162.121.744.3-23.8000116.1
211S31.8Very low35.9Very low109 Ų109123.5 Ų123.576%0.76282%0.815SS**  trans78.1132.6153.570.10000120.4
212K40.9Very low35.7Very low201 Ų201122.4 Ų122.487%0.87481%0.805SS**  trans-82.3154.1153.2-62.5176.5175.1177.60107.9
213P44.7Very low35.5Very low126 Ų126123.3 Ų123.382%0.81881%0.807SS**  -143.1-165.296.140.6-26.3000114.8
214V34.6Very low35.3Very low139 Ų139119.7 Ų119.784%0.84280%0.797SS**  trans-78.7165.6-172.2177.80000112.6
215A35.3Very low35.3Very low84 Ų84121.5 Ų121.569%0.69480%0.797SS**  trans-62.1176170.400000113.1
216P51.3Low35.2Very low123 Ų123120.3 Ų120.380%0.79979%0.794SS**  -157.1-16863.143.7-21.5000117.7
217A30.7Very low35.2Very low105 Ų105120.8 Ų120.887%0.86880%0.798SS**  trans69.8150162.100000118.6
218G32.6Very low35Very low68 Ų68121.4 Ų121.470%0.70179%0.791SS**  cis-142.3-168.7-6.400000110.6
219S31Very low35.2Very low117 Ų117123.9 Ų123.982%0.81878%0.784SS**  cis-157.414814-84.20000113.7
220R29.3Very low34.8Very low244 Ų244122 Ų12292%0.92178%0.779SS**  trans28.4151.1143.6-73.7-178.3156.8-172.1-7.6124
221S31.2Very low33.9Very low126 Ų126126.9 Ų126.988%0.88178%0.784SS**  trans80.5137.3166.7-90.90000117.1
222A29.8Very low33.9Very low78 Ų78127.9 Ų127.965%0.64578%0.78SS**  cis-149.3170.60.200000112.4
223S28.6Very low33.4Very low103 Ų103126.4 Ų126.472%0.7278%0.776SS**  trans50.1111.8159.948.50000119
224S32.9Very low33.6Very low110 Ų110125.2 Ų125.277%0.76977%0.768SS**  59.4132.476.474.30000114.1
225S31.8Very low34.6Very low120 Ų120124.3 Ų124.384%0.83977%0.765SS**  cis-170.4163.38.843.80000111.7
226G31Very low34.5Very low72 Ų72124.8 Ų124.874%0.74276%0.763SS**  trans94.7122.2172.300000112.9
227A31.9Very low33.9Very low100 Ų100129.7 Ų129.783%0.82677%0.766SS**  74.399.161.300000111.9
228E31Very low34Very low151 Ų151130.7 Ų130.771%0.70676%0.762SS**  89.1144.576.5-137.1-155.2161.800113.8
229K36.5Very low34.2Very low149 Ų149132.4 Ų132.465%0.64877%0.769SS**  trans62.9100.4161.2-72.5159.8178136.30120.5
230T33.6Very low34.4Very low128 Ų128130 Ų13079%0.78576%0.763SS**  58.4143124.567.20000123.3
231R32Very low34.5Very low212 Ų212125.2 Ų125.280%0.876%0.761SS**  trans91.395.1135.5-158.3173.8-162.4-85.8-0.9120.1
232L31.8Very low34.5Very low130 Ų130126 Ų12668%0.68175%0.754SS**  trans72152.4147.9-53.1175000116.2
233Q30.4Very low34.8Very low169 Ų169130.3 Ų130.379%0.7976%0.758SS**  cis-153.4-176.6-7.8-122.7-152.4-25.700111.1
234P49Very low34.8Very low102 Ų102136.2 Ų136.266%0.66277%0.765SS**  trans-87-164.6-17043.6-43.6000112.3
235P54.9Low34.8Very low120 Ų120135.8 Ų135.878%0.77976%0.762SS**  cis-137.6-163.713.645.3-22.9000114.8
236S33.5Very low35.9Very low93 Ų93136 Ų13665%0.6576%0.76SS**  cis-158.6165.212.976.80000114.3
237R38.6Very low35.7Very low227 Ų227138.3 Ų138.386%0.85777%0.765SS**  trans67.4147.1160.7-70.4-178161.3-177.5-6.5117.1
238T33.5Very low35.6Very low126 Ų126138.6 Ų138.677%0.77376%0.76SS**  cis-153.4154.53.8-8.20000112.5
239A35.4Very low35.8Very low104 Ų104143.2 Ų143.286%0.8677%0.771SS**  trans65.5152.9158.800000120.6
240G36.8Very low35.7Very low67 Ų67143.5 Ų143.569%0.69178%0.779SS**  trans104.991.5165.600000117.5
241V30.9Very low35.4Very low143 Ų143148.8 Ų148.887%0.86778%0.784SS**  trans-100.3121.5176.9169.60000108
242L30.6Very low35.5Very low142 Ų142144.8 Ų144.874%0.74378%0.779SS**  68.2132.952-63.1171.9000112.9
243K36.3Very low35.6Very low168 Ų168147.7 Ų147.773%0.7379%0.786SS**  cis-149.5158.6-0.9-101.6-177.3-179.3-179.40106.6
244W29.2Very low35.7Very low227 Ų227143.7 Ų143.786%0.8677%0.773SS**  81.590.354.1-153.810.5000116.5
245S32.1Very low34.8Very low101 Ų101147.7 Ų147.771%0.70678%0.783SS**  trans67.4-168.8158.2-55.10000118.2
246P55Low33.7Very low124 Ų124147.4 Ų147.481%0.80578%0.784SS**  -132.7-168-105.541.4-21.2000116.1
247S26.5Very low34.7Very low121 Ų121147.5 Ų147.585%0.84678%0.782SS**  trans107.9168164-155.80000117.2
248C30.8Very low34.6Very low107 Ų107145.3 Ų145.372%0.72378%0.782SS**  trans-103.5146.9-159.8-410000114.3
249R34Very low34.7Very low248 Ų248147 Ų14794%0.93679%0.786SS**  -175.2155.9119.7-109.2176.1-75.8-1512.2116.9
250L34.2Very low35.6Very low154 Ų154149 Ų14981%0.80678%0.781SS**  trans-56.8142.6167178.983.3000114.8
251R28.6Very low35.7Very low239 Ų239153.6 Ų153.690%0.90279%0.789SS**  trans-166.7152137-158.9169.3-179.2-165.7-0.9112.6
252N33.6Very low36Very low129 Ų129151 Ų15169%0.6978%0.777SS**  trans-105.9149.4179.1-27.7-25.5000111.1
253K33.3Very low36Very low191 Ų191150.6 Ų150.683%0.8378%0.776SS**  173.4135.6127.7-108-155.4160.5-153.30115.2
254T33Very low36.1Very low84 Ų84147.3 Ų147.352%0.51577%0.774SS.*  71.5132.6127.6-59.70000122.7
255E30.3Very low36.6Very low187 Ų187143.1 Ų143.187%0.87477%0.773SS**  trans59.4117.5155.3-75.2144.4-151.900122.6
256S31.2Very low36.8Very low113 Ų113143.7 Ų143.779%0.7978%0.777SS**  -161.9153.2112.2-162.30000109.3
257P53.8Low36.3Very low96 Ų96144 Ų14462%0.62378%0.776SS**  trans-107.4-160.7-177.930.8-12.3000112.5
258E38.2Very low36.6Very low181 Ų181143 Ų14385%0.84678%0.776SS**  trans75.499.2163.7-58.5155.4-111.500117.9
259D35.2Very low36.7Very low160 Ų160143 Ų14386%0.85678%0.778SS**  -156165.9108.2-150.5-11.9000110.2
260L53.1Low36.8Very low147 Ų147137.6 Ų137.677%0.7777%0.767SS**  trans-112.8-175.6178.1-70.9170.7000111.1
261L39.3Very low37Very low163 Ų163136.3 Ų136.385%0.85377%0.766SS**  trans72.7139.6177-42.2177.1000114.2
262S36.8Very low37.2Very low88 Ų88129.5 Ų129.562%0.61576%0.755SS**  cis-160.5151.8-14.1-119.90000111.3
263D31.4Very low37.1Very low134 Ų134131 Ų13172%0.71776%0.762SS**  trans49.1105.9140.3-55.1-51.5000121.9
264S39.1Very low37Very low100 Ų100127.9 Ų127.970%0.69976%0.763SS**  82.9144.3116.579.70000121.4
265V39Very low37.2Very low138 Ų138129.4 Ų129.484%0.83678%0.778SS**  trans49.2142.9155.2-57.90000119.8
266S37.1Very low37.5Very low113 Ų113129.8 Ų129.879%0.7978%0.777SS**  cis-156.216420.1-1480000113.1
267V42.8Very low37.7Very low130 Ų130132 Ų13279%0.78878%0.78SS**  trans-84.5139.7165.8171.40000109.9
268A33.6Very low36.7Very low102 Ų102132.3 Ų132.384%0.84378%0.784SS**  trans-151.3106.216100000110.2
269S33.6Very low36.7Very low107 Ų107129.4 Ų129.475%0.74878%0.784SS**  trans-86.7128.7166.9-61.80000109T271S269-T271 PolarHBondContact O-N 2.94Å
270D36.5Very low37Very low134 Ų134128.9 Ų128.972%0.71778%0.78SS**  trans-86.4108176.4-177.16.7000111S272D270-S272 WeakPolarHBondContact OD1-CB 3.47Å; D270-S272 PolarHBondContact OD1-N 2.62Å; D270-S272 PolarHBondContact OD1-OG 3.28Å
271T37.4Very low36.5Very low126 Ų126128.9 Ų128.977%0.77378%0.78SS**  trans-127.181.8164.753.90000108.7S269S269-T271 PolarHBondContact O-N 2.94Å
272S32.8Very low36.3Very low96 Ų96125 Ų12567%0.67178%0.78SS**  trans-93.196.7-175.5-68.10000113.5D270D270-S272 WeakPolarHBondContact OD1-CB 3.47Å; D270-S272 PolarHBondContact OD1-N 2.62Å; D270-S272 PolarHBondContact OD1-OG 3.28Å
273D31.4Very low36.9Very low160 Ų160129.6 Ų129.686%0.85679%0.789SS**  trans-72.6133.2170-77-53.7000112.5S275D273-S275 PolarHBondContact O-N 3.08Å
274C32.2Very low37.2Very low126 Ų126134.7 Ų134.785%0.85180%0.798SS**  trans-87.594.6-179.3-77.60000112.8
275S37.1Very low37Very low117 Ų117135.4 Ų135.482%0.81880%0.803SS**  trans-72.9134.9170.5-176.50000112.5D273D273-S275 PolarHBondContact O-N 3.08Å
276F35Very low36.8Very low194 Ų194137.3 Ų137.385%0.85181%0.808SS**  trans-88.5126.5167.7-86.8-102.2000110.3
277N36.1Very low36.8Very low161 Ų161136.2 Ų136.286%0.86181%0.805SS**  trans-157.1160.7138.8-122.6-54.4000116.9
278S33.6Very low37.3Very low102 Ų102135.7 Ų135.771%0.71380%0.804SS**  trans-80.6147.2-173.6176.10000114
279S38.2Very low38.4Very low119 Ų119135.9 Ų135.983%0.83280%0.797SS**  trans-149.1104.4155.152.20000114.9
280L40.6Very low38.3Very low150 Ų150135.6 Ų135.679%0.78580%0.795SS**  trans3.2124.8151.6-65.2164.4000121.8
281L42.1Very low38.5Very low146 Ų146137.4 Ų137.476%0.76480%0.796SS**  41.1109.6125.3-83.3161.2000120.8
282G36.7Very low38.6Very low82 Ų82138.6 Ų138.685%0.84580%0.798SS**  trans-137.5110.9158.300000112.8
283K49.5Very low38.7Very low184 Ų184138.8 Ų138.880%0.881%0.805SS**  trans-99.7127.5-175.4-58.4175.7-176.2174.30113.2
284R37.8Very low38.8Very low241 Ų241134.4 Ų134.491%0.90980%0.798SS**  trans-157.6117.8143.5-64.7-163.3-65.7158.71.4107.4
285S34.3Very low39.2Very low115 Ų115135.9 Ų135.980%0.80480%0.797SS**  cis81.796.945-165.70000114.9
286L34.3Very low39.3Very low179 Ų179141 Ų14194%0.93780%0.798SS**  trans-155.6159.7141.3-83.5-167.2000108.9
287A37.6Very low39.5Very low90 Ų90140.1 Ų140.174%0.74479%0.794SS**  trans-153.8-164.4-174.400000110.6
288P53.9Low39.8Very low118 Ų118139.8 Ų139.877%0.76679%0.791SS**  -109.4-160.9-81.839.6-25.4000110.5
289P54.9Low40Very low107 Ų107139.7 Ų139.770%0.69579%0.791SS**  -1581707841.9-21.2000118.7
290S33.3Very low39.8Very low100 Ų100139.6 Ų139.670%0.69979%0.785SS**  trans77.3154.9152.288.60000118
291K39Very low39.5Very low172 Ų172139.6 Ų139.675%0.74878%0.784SS**  cis-161.3141.37.4-134.9154.9-168.8173.20110.9
292N39.6Very low39.3Very low152 Ų152142.2 Ų142.281%0.81379%0.789SS**  trans63.5165154.9-58.1-8.1000118.8
293A35Very low39.2Very low99 Ų99142.4 Ų142.482%0.81878%0.783SS**  cis-166.4156.4-34.600000109.9
294G33.3Very low39.3Very low68 Ų68139.3 Ų139.370%0.70178%0.782SS**  trans124.8112.8-177.100000111.7
295L40.4Very low39.8Very low158 Ų158132.8 Ų132.883%0.82777%0.771SS**  cis62.2116.225.7-74169000112.4
296R39.9Very low39.9Very low223 Ų223133.7 Ų133.784%0.84277%0.771SS**  cis-139.9151.914.5-79.8174.3-78.9-158.9-2.1110.1
297K38.9Very low40Very low176 Ų176134.4 Ų134.477%0.76577%0.769SS**  61.5129.761.7-84.6-170.3179.5-1740112.8
298L42.8Very low39.6Very low155 Ų155133.5 Ų133.581%0.81277%0.769SS**  cis-127.6-149.31.1-79.5129.4000109.1
299S38.8Very low38.4Very low100 Ų100138.9 Ų138.970%0.69977%0.774SS**  cis-159.11528.784.70000110.8
300V33.7Very low37.4Very low116 Ų116140.4 Ų140.470%0.70377%0.77SS**  71.3115.682.8179.90000112.7
301I34.5Very low37.4Very low151 Ų151141.4 Ų141.477%0.77477%0.771SS**  cis-159.8167.235.9-137.5157.4000114.8
302K36.2Very low37.1Very low200 Ų200138.7 Ų138.787%0.8777%0.769SS**  trans83148.2161.1-97.4175.4177.2177.60122.8
303A36.3Very low36.6Very low86 Ų86139.1 Ų139.171%0.71177%0.771SS**  trans-160.7-174.617700000106.9
304P51.4Low36.7Very low120 Ų120137.8 Ų137.878%0.77977%0.768SS**  cis-111.3-125.9-17.332.3-9.1000108
305P47.4Very low36.7Very low104 Ų104145.3 Ų145.368%0.67578%0.775SS**  cis-133.5146.5-27.229.4-7.1000118.3
306V35.6Very low36.3Very low133 Ų133147.1 Ų147.181%0.80678%0.776SS**  trans31.7143.4140.6-145.70000123.9
307Q36.8Very low35.7Very low195 Ų195141.6 Ų141.691%0.91177%0.767SS**  trans90.8130.9162.3-51.2-170.79.900117.2
308G29.9Very low35.1Very low71 Ų71138.2 Ų138.273%0.73277%0.766SS**  cis168.4168.5-11.300000114.4
309W27.8Very low34.4Very low230 Ų230136.1 Ų136.187%0.87176%0.764SS**  trans68139.7160.8-141-100.1000117.3
310K35.1Very low33.8Very low140 Ų140136.6 Ų136.661%0.60977%0.767SS**  cis-173.2164.1-19.2-111.8-164.4-166.6174.40107.6
311V32.6Very low33.5Very low121 Ų121136.3 Ų136.373%0.73377%0.77SS**  trans68.5137.7143.2157.60000117.5
312T33.6Very low33.2Very low114 Ų114134 Ų13470%0.69977%0.768SS**  cis-157159.84.95.30000113.9
313D29.3Very low32.9Very low161 Ų161129.8 Ų129.886%0.86176%0.764SS**  trans62.9167.9145.9-108.2-61.5000124.8
314G35.7Very low32.7Very low72 Ų72133.7 Ų133.774%0.74277%0.772SS**  trans121.118.7159.800000118.7
315R34.9Very low31.6Very low225 Ų225132.3 Ų132.385%0.84977%0.765SS**  trans-100.9107.8-172.6-165.8-172-57.7-134.51.9114.7
316K31Very low30.7Very low196 Ų196132.9 Ų132.985%0.85277%0.772SS**  trans-141.9132.8157.1-65.8-172.5-178.7-177.90107.1
317T27.5Very low30.6Very low108 Ų108135.8 Ų135.866%0.66377%0.774SS**  cis66.6132.228.478.10000115.4
318S27.1Very low30.5Very low104 Ų104133.5 Ų133.573%0.72777%0.768SS**  cis-172.4164.6-13.2-93.70000108.5
319S27.8Very low30.5Very low112 Ų112134.9 Ų134.978%0.78377%0.766SS**  trans59.4125.3152.2-55.80000121
320S25.6Very low30.6Very low109 Ų109129.1 Ų129.176%0.76276%0.761SS**  -177.6146110-70.40000107.4
321S27.3Very low30.6Very low110 Ų110130.6 Ų130.677%0.76977%0.772SS**  cis65129.844.3-56.60000112.9
322S28.1Very low30.6Very low103 Ų103130.2 Ų130.272%0.7277%0.774SS**  cis-168.9158.2-11.746.30000109.8
323S30.4Very low30.5Very low112 Ų112133.1 Ų133.178%0.78378%0.78SS**  trans64.4109.6153.9-55.10000120.2
324L31.7Very low30.5Very low167 Ų167131.2 Ų131.287%0.87478%0.78SS**  trans-128.5109.1148.2-74.3178.8000107.1
325S29Very low30.7Very low91 Ų91133.9 Ų133.964%0.63678%0.784SS**  76.5119.997.778.50000113.6
326S28.9Very low30.6Very low117 Ų117128.1 Ų128.182%0.81878%0.784SS**  trans-82.8119.7-167.454.50000113.4
327F32.3Very low31.1Very low194 Ų194126 Ų12685%0.85179%0.788SS**  trans-91.2118.6159.6-80.6-81.6000110.7
328N35Very low31.5Very low146 Ų146124.4 Ų124.478%0.78179%0.793SS**  trans-103.282.9-179.7-176.29.6000110.9
329S28.8Very low32.4Very low100 Ų100129.1 Ų129.170%0.69980%0.801SS**  trans-12478.7-179.6-66.80000111.2M331S329-M331 VanDerWaalsContact C-N 3.33Å; S329-M331 PolarHBondContact O-N 3.2Å
330S30.5Very low32.9Very low109 Ų109132 Ų13276%0.76281%0.806SS**  trans-74.979.1176.4-68.40000112S332S330-S332 PolarHBondContact O-N 2.72Å
331M34.8Very low33.5Very low172 Ų172134.6 Ų134.685%0.84781%0.812SS**  trans-83.8101.7163.9-76.5-158.672.200110.5S329S329-M331 VanDerWaalsContact C-N 3.33Å; S329-M331 PolarHBondContact O-N 3.2Å
332S32.8Very low33.6Very low112 Ų112135.1 Ų135.178%0.78382%0.815SS**  trans-108.6102.4169.648.20000110.9S330S330-S332 PolarHBondContact O-N 2.72Å
333Q31.4Very low34Very low175 Ų175135 Ų13582%0.81881%0.814SS**  trans-131.1133.4160.1-68.8-164.123.700109.8
334S29.9Very low34.2Very low122 Ų122136.7 Ų136.785%0.85381%0.814SS**  trans-145.8145.8165.7-750000107.9
335P39.9Very low34.2Very low128 Ų128135.5 Ų135.583%0.83181%0.808SS**  trans-87150-155.933-36.7000113.9
336A32.3Very low34.2Very low103 Ų103142.2 Ų142.285%0.85182%0.82SS**  trans-129.2119.1164.900000109.5
337T42.8Very low34.2Very low151 Ų151142.2 Ų142.293%0.92682%0.819SS**  trans-88.6133.5-177.2480000111.3
338G34.2Very low34.2Very low75 Ų75138.1 Ų138.177%0.77381%0.81SS**  trans-148.296.5-176.300000113.2
339K46.2Very low33.9Very low204 Ų204136.9 Ų136.989%0.88781%0.813SS**  trans-79.3126.5170.4-71.4178.9175.9177.60110.2
340L39.1Very low33.8Very low173 Ų173138.9 Ų138.991%0.90682%0.816SS**  trans-135.4135.7161.6-72.8177.6000110.1
341N38.5Very low33.9Very low163 Ų163138.3 Ų138.387%0.87281%0.812SS**  trans-101.2138.2176.6-43.1-70.9000109.2
342S29.6Very low33.7Very low121 Ų121138 Ų13885%0.84681%0.814SS**  trans-160.3130.1149.2-160.90000111.4
343S35.3Very low33.5Very low100 Ų100136.1 Ų136.170%0.69981%0.812SS**  trans-99.1150.4165.251.70000109.3
344L34.3Very low34Very low148 Ų148133.7 Ų133.778%0.77581%0.811SS**  trans179.1116.3135.4-102.1139.1000112.7
345N32.5Very low33.9Very low142 Ų142132 Ų13276%0.75981%0.805SS**  trans3597.5142.2-56.7-2.4000119.3
346R29.6Very low33.4Very low232 Ų232133.9 Ų133.988%0.87580%0.802SS**  trans-79.3115.9147.4176.9-176-80.2-146.9-0.8108.7V348R346-V348 HydrophobicContact CG-CG2 3.94Å
347S28.4Very low33.2Very low116 Ų116135.2 Ų135.281%0.81180%0.8SS**  trans-111.3145.3159-80.90000109.4
348V32.8Very low32.9Very low108 Ų108133.1 Ų133.166%0.65579%0.791SS**  trans-125.7123.9-173.6-169.20000108.4R346R346-V348 HydrophobicContact CG-CG2 3.94Å
349S27.4Very low32.9Very low120 Ų120134.3 Ų134.384%0.83979%0.788SS**  trans-150.8111.5170.5-71.70000109.8
350N27.3Very low32.3Very low143 Ų143135.3 Ų135.377%0.76579%0.786SS**  trans-89.6153.3168.2-74.513000110.3
351S33.1Very low31.9Very low97 Ų97134.2 Ų134.268%0.67878%0.78SS**  trans38118.1147600000120.1
352N30.1Very low31.5Very low166 Ų166136.1 Ų136.189%0.88878%0.775SS**  -168.7156.4108.3-87.7-23000111.1
353G28.8Very low31.7Very low72 Ų72140 Ų14074%0.74277%0.771SS**  trans-92-158.9172.900000112.6
354P43Very low31.5Very low124 Ų124140 Ų14081%0.80577%0.771SS**  cis-131.2-164.77.742.7-25.1000114.4
355A26.2Very low31.3Very low86 Ų86138.5 Ų138.571%0.71177%0.769SS**  trans22147.7142.100000121.3
356E30Very low31.5Very low168 Ų168139.3 Ų139.379%0.78577%0.772SS**  cis-170-176.81.9-127.5-175-141.600111.4
357T28.8Very low31.6Very low131 Ų131133 Ų13380%0.80476%0.763SS**  trans71.7155.1164.773.70000119.5
358S36.2Very low31.7Very low106 Ų106132.1 Ų132.174%0.74176%0.764SS**  cis-170.3169-29.6-175.50000110.9
359S33.3Very low31.4Very low100 Ų100132.3 Ų132.370%0.69977%0.77SS**  trans74.4146.3165.982.70000117.6
360R34.6Very low31.5Very low226 Ų226130.6 Ų130.685%0.85376%0.762SS**  cis-155.6125.6-6.5-114160.2-168.1-162.25107
361L29.3Very low31.6Very low150 Ų150132.3 Ų132.379%0.78577%0.766SS**  96.2109.477.4-17899.6000115
362R31.2Very low31.4Very low202 Ų202134.4 Ų134.476%0.76277%0.769SS**  -176.5135.5126.8-106.5-177.8-178.5-155.81.4115.2
363R33.3Very low31.4Very low202 Ų202134.2 Ų134.276%0.76277%0.767SS**  trans52107147.7-75-177.4-176.7-177.9-0.8118.7
364S31.5Very low31.3Very low100 Ų100135.7 Ų135.770%0.69977%0.766SS**  84.7138.677.372.10000113.1
365T30.8Very low30.6Very low118 Ų118135 Ų13572%0.72476%0.764SS**  cis-150.7148.932.744.60000114.4
366L35.8Very low30.7Very low159 Ų159141.9 Ų141.983%0.83277%0.771SS**  trans42142134.3-54.6177.9000121.4
367S31.9Very low30.6Very low98 Ų98138.5 Ų138.569%0.68577%0.772SS**  cis-177.7153.6-3.546.10000113.4
368A29.3Very low30.5Very low99 Ų99135.8 Ų135.882%0.81877%0.77SS**  trans66.7159149.200000120.2
369S27.3Very low30.3Very low112 Ų112136.3 Ų136.378%0.78377%0.774SS**  cis-169.6164.2-30.8-165.50000111
370A30.1Very low30.1Very low83 Ų83142.6 Ų142.669%0.68678%0.782SS**  trans48.8113.9152.800000122.9
371E28.7Very low29.9Very low180 Ų180136.1 Ų136.184%0.84177%0.772SS**  54.6155.1106.3-143.9170.5-154.300123.6
372L28.9Very low30Very low140 Ų140137.2 Ų137.273%0.73377%0.772SS**  trans88.9114.5164.2-58178.1000121.4
373L30.1Very low30.6Very low163 Ų163132.3 Ų132.385%0.85377%0.767SS**  32.5138.3129.7-57.7177.3000123.1
374S27.3Very low30.6Very low103 Ų103128.3 Ų128.372%0.7277%0.765SS**  trans9395.3137.1-150.90000122.1
375S27.6Very low30.7Very low108 Ų108131.3 Ų131.376%0.75577%0.768SS**  76143.1126.384.90000123.5
376R29.2Very low30.6Very low231 Ų231129.8 Ų129.887%0.87277%0.767SS**  trans101.693.6131.3-161.1170.7-177.7171.91121.7
377A27.9Very low30.6Very low98 Ų98131 Ų13181%0.8177%0.766SS**  trans74.9157.713100000121.4
378G26.9Very low31Very low73 Ų73134.8 Ų134.875%0.75377%0.77SS**  trans163.88.5-17300000117.1
379S32Very low31.7Very low117 Ų117136.2 Ų136.282%0.81877%0.771SS**  trans3.4134.7145.8550000120.7
380R29Very low33Very low233 Ų233135.9 Ų135.988%0.87977%0.766SS**  trans-146.1105.2159.5-163.5165.3-161.9-99.81.1114.4
381S30Very low33.2Very low90 Ų90139.1 Ų139.163%0.62977%0.772SS**  trans47.8129.3152.161.40000121.6
382Q31.2Very low33.5Very low172 Ų172136.1 Ų136.180%0.80477%0.765SS**  cis65.7153.343.4-63.3-78.1-16.600113.5
383P44.3Very low33.5Very low100 Ų100135.7 Ų135.765%0.64976%0.76SS**  cis-146.4164.522.242.9-23.2000120.6
384T32.6Very low33.6Very low117 Ų117137.5 Ų137.572%0.71876%0.755SS**  trans64.3156.814251.10000122.3
385Q33.6Very low33.7Very low164 Ų164136.8 Ų136.877%0.76676%0.756SS**  cis-106.6-152.7-6.3-62-176.738.300109.4
386A29.6Very low33.9Very low85 Ų85141.4 Ų141.470%0.70276%0.762SS**  cis-160.1167.5-4.600000108.2
387K35.1Very low34Very low185 Ų185135.2 Ų135.280%0.80476%0.76SS**  cis-144.9-120.7-13.1-144.9174.3-171.8179.90109.6
388K40.7Very low34.1Very low178 Ų178134.6 Ų134.677%0.77476%0.755SS**  trans-158164.3177-74.3-163.6178.9-175.20110.5
389P44.3Very low34.4Very low128 Ų128142.8 Ų142.883%0.83176%0.763SS**  -110.6176.194.2-14.232.6000115.8
390P53Low34.3Very low106 Ų106142.6 Ų142.669%0.68876%0.762SS**  trans-120.5178.1-16443.5-32.7000116.9
391D34.3Very low34.8Very low150 Ų150137.7 Ų137.780%0.80276%0.758SS**  trans-102.9139.1167.1157.747.4000110.7
392V35.7Very low35.4Very low117 Ų117138.6 Ų138.671%0.70976%0.762SS**  trans-154.5114.1173.1175.10000112.8
393E30.1Very low35.6Very low131 Ų131138 Ų13861%0.61276%0.763SS**  trans54135.1143.5-65.6-151.6105.100126.4
394R31.4Very low35.1Very low202 Ų202142.4 Ų142.476%0.76277%0.772SS**  trans68.9100.6132.2-74.8-177.7172.5126.88.6123.4
395A28.3Very low35.1Very low88 Ų88147.3 Ų147.373%0.72778%0.777SS**  84143.6100.300000124
396K32.5Very low35.1Very low205 Ų205143.4 Ų143.489%0.89177%0.773SS**  trans84.6131156.6-71.5-179.5176.3178.60120.6
397A31.1Very low35Very low101 Ų101148 Ų14884%0.83578%0.78SS**  trans71.7153.9149.900000119.4
398A30.6Very low35Very low84 Ų84144.2 Ų144.269%0.69478%0.777SS**  cis-171.1142.7-29.900000110.7
399R32.3Very low34.9Very low245 Ų245142 Ų14293%0.92578%0.779SS**  trans64.9161.8169-60.7174.7174.5-173.8-3.1114.1
400S31.4Very low35Very low114 Ų114141.2 Ų141.280%0.79777%0.773SS**  cis-153.7166.3-5.1190000111.8
401T37.7Very low34Very low129 Ų129142.3 Ų142.379%0.79178%0.778SS**  trans-70.7-174.3166.155.40000112.1
402P44Very low34.2Very low109 Ų109143.2 Ų143.271%0.70878%0.777SS**  cis-148.3176.21044.7-24.2000120.2
403L34.8Very low34.9Very low160 Ų160143.1 Ų143.184%0.83878%0.779SS**  trans32.2128.6145.3-88.473.5000124.5
404K34.1Very low35.1Very low192 Ų192142.6 Ų142.684%0.83579%0.785SS**  153.6166.4121.6-89.2-179.6-179.3178.80111
405R33.1Very low35.8Very low221 Ų221138.5 Ų138.583%0.83479%0.785SS**  cis178.2156.4-36.6166.7176.6-97-175.2-4.4107.1
406A32.1Very low36.9Very low82 Ų82139.3 Ų139.368%0.67878%0.782SS**  trans91.8140.1173.100000114.8
407E28.4Very low36.9Very low180 Ų180137.8 Ų137.884%0.84178%0.776SS**  cis75.3137.234.3-66.6177.6110.100113.6
408S34.9Very low37Very low106 Ų106143.3 Ų143.374%0.74178%0.775SS**  cis-160.2161.72.847.60000113
409T38.5Very low37.1Very low132 Ų132147 Ų14781%0.8178%0.783SS**  trans-71.3158.4165.8-16.70000112.7
410P47.7Very low37.1Very low111 Ų111138.6 Ų138.672%0.72177%0.773SS**  -157155.6116.836.5-17.1000119.4
411V31.8Very low37.3Very low129 Ų129139 Ų13978%0.78278%0.776SS**  trans56.6114.2140.1175.70000120.4
412Q37.9Very low37.3Very low170 Ų170139.3 Ų139.379%0.79478%0.777SS**  68.3147.283-105.7-16115.300116.4
413P51.2Low36.8Very low115 Ų115137.7 Ų137.775%0.74778%0.78SS**  cis-144.8-158.944.842.7-20.5000117.9
414T33.8Very low36.9Very low120 Ų120134.4 Ų134.474%0.73678%0.776SS**  trans-85.8-175.5-175.957.50000114.9
415P46.6Very low37.1Very low116 Ų116131.9 Ų131.975%0.75378%0.777SS**  cis-137.2-121.314.830.10.1000118.4
416P49.9Very low37.2Very low104 Ų104125.2 Ų125.268%0.67578%0.776SS**  -137.6-179.6-106.845.8-28.2000121
417K32.5Very low37.1Very low174 Ų174127.1 Ų127.176%0.75779%0.785SS**  trans89.8118.4153.5-71175.7179.41720122.3
418R32.8Very low37.5Very low216 Ų216125.4 Ų125.482%0.81579%0.787SS**  trans42.2133.9133.4-47.8-179.2-173162.2-0.8119.3
419N33.6Very low37.5Very low163 Ų163130.7 Ų130.787%0.87279%0.79SS**  cis-136.6-172.828.3-64.6-54.1000111.2
420G32.1Very low37.6Very low68 Ų68131 Ų13170%0.70179%0.786SS**  cis139.5132.5-13.100000115
421S35.8Very low37.2Very low123 Ų123133.9 Ų133.986%0.8679%0.79SS**  trans69.7145.9-176.4-117.70000116.1
422V38.1Very low37.3Very low135 Ų135133.1 Ų133.182%0.81879%0.79SS**  cis-137.1134.99.3179.20000111.7
423G33.7Very low37.1Very low75 Ų75127.9 Ų127.977%0.77378%0.782SS**  trans66.3163.8153.700000120.1
424A37.1Very low36.4Very low91 Ų91129.7 Ų129.775%0.75278%0.782SS**  cis-159.9149.9-26.200000110.1
425T36.8Very low36.5Very low139 Ų139133 Ų13385%0.85379%0.786SS**  trans21.7128.3161.553.40000120.5
426G35.6Very low35.8Very low80 Ų80133.9 Ų133.983%0.82579%0.79SS**  cis111.8111.59.300000112.7
427S31.2Very low35.2Very low123 Ų123140.3 Ų140.386%0.8680%0.801SS**  trans-144.7134174.6-178.20000110.5
428V36Very low35.1Very low144 Ų144137.5 Ų137.587%0.87380%0.803SS**  trans-138.8157.4-171.4179.20000110.7
429R34.9Very low35.5Very low217 Ų217136.8 Ų136.882%0.81981%0.806SS**  trans-124.7173.6-162.2-171.3-174-177.4169.82.9110.7
430L39.7Very low36.4Very low138 Ų138135 Ų13572%0.72380%0.803SS**  trans83.2165.2164.5-52.4174.2000116.2
431Q40.2Very low36.3Very low171 Ų171135.7 Ų135.780%0.79981%0.81SS**  cis-175.1153.5-49.8-137.7-179.813.900108.5
432S33.3Very low36.2Very low113 Ų113133.5 Ų133.579%0.7981%0.807SS**  trans67.1153.1167.9-165.80000117.1
433G33.8Very low36Very low60 Ų60135.4 Ų135.462%0.61981%0.812SS**  cis163.1158.2-13.600000115.7
434M36.1Very low35.9Very low154 Ų154137.7 Ų137.776%0.75981%0.81SS**  trans75.7137.5156.390.6-178.479.300125
435K36Very low36.2Very low189 Ų189142 Ų14282%0.82281%0.814SS**  trans70.9153.3155.8-73.4174.2177.6171.10118.1
436T33.8Very low36.6Very low135 Ų135141.1 Ų141.183%0.82881%0.811SS**  cis-134.9-170.311.931.20000114.6
437R36Very low36.7Very low239 Ų239143.2 Ų143.290%0.90281%0.808SS**  trans-62.9171.1175.3-58.4-179171.5-148.6-1.3113
438S31.4Very low37.3Very low115 Ų115142.8 Ų142.880%0.80480%0.803SS**  cis-164.9173.134.7590000116.1
439K40.6Very low37.1Very low201 Ų201142.2 Ų142.287%0.87480%0.795SS**  trans-114.3173.7164.5-73.3-173.9176.6-176.70108
440P52.1Low37.1Very low126 Ų126140.7 Ų140.782%0.81880%0.799SS**  cis-142.7-177.914.644.3-25.5000117.7
441G30.6Very low37Very low82 Ų82137.7 Ų137.785%0.84579%0.794SS**  trans80.4163.3162.100000116.7
442G32.9Very low36.6Very low77 Ų77136.6 Ų136.679%0.79479%0.794SS**  cis160.1122-13.800000115.4
443L34.1Very low36.8Very low175 Ų175140.6 Ų140.692%0.91680%0.797SS**  trans77.5155.6163.9-148.973.4000119.2
444V32.3Very low36.8Very low122 Ų122141 Ų14174%0.73980%0.801SS**  trans81.6118.7162.8-1700000119.2
445H43Very low36.7Very low182 Ų182140.4 Ų140.484%0.84381%0.806SS**  trans-86.9155.3157.1-84.7-90.2000110.4
446P44.3Very low36.7Very low121 Ų121140.2 Ų140.279%0.78681%0.807SS**  -144155.8107.337.9-24.9000115.8
447T38Very low36.8Very low123 Ų123138 Ų13876%0.75580%0.802SS**  trans-77.9164.1163.2-21.10000110.6
448P45.1Very low36.7Very low115 Ų115136 Ų13675%0.74780%0.803SS**  -152.7155.798.138.2-20.2000118.3
449N31.5Very low36.9Very low132 Ų132133.8 Ų133.871%0.70680%0.799SS**  trans15.9128.8150.1-63-4.4000122.3
450M35.1Very low36.6Very low184 Ų184130.7 Ų130.791%0.90680%0.797SS**  -135.9137.185.5-66.2-60.5178.800107.8
451A35.8Very low36.2Very low76 Ų76129.3 Ų129.363%0.62879%0.79SS**  cis94.193.227.500000115
452D33Very low36.5Very low147 Ų147134.8 Ų134.879%0.78679%0.791SS**  trans-152.3175.5135.8-139.6-33000111.6
453K37.8Very low36.9Very low197 Ų197137.3 Ų137.386%0.85779%0.791SS**  trans-82.7158.5-160.2-59.3147-168.6165.80114.4
454G32.7Very low37.1Very low68 Ų68135.7 Ų135.770%0.70178%0.78SS**  cis162.4-170.8-4.700000113.6
455V35.3Very low37.4Very low143 Ų143137.7 Ų137.787%0.86778%0.779SS**  trans79.5103.7174.6-168.90000117.7
456H36.1Very low37.2Very low184 Ų184135.8 Ų135.885%0.85278%0.783SS**  trans25.9135.4146.5-83-110.7000121.6
457A36.1Very low36.9Very low88 Ų88139.2 Ų139.273%0.72779%0.785SS**  cis-164.6155.3-9.600000111
458E33.6Very low37Very low197 Ų197144.2 Ų144.292%0.92179%0.79SS**  trans-69.5153.7172.8-61.9178.591.800112.2
459G34.7Very low36.7Very low70 Ų70146.8 Ų146.872%0.72280%0.797SS**  118.2167.185.200000109.6
460V35.4Very low36.7Very low135 Ų135146 Ų14682%0.81880%0.801SS**  cis-147.2156.710.9-167.80000108.6
461S43.4Very low36.9Very low97 Ų97144.4 Ų144.468%0.67880%0.802SS**  trans-77.5153.2170.160.10000113.2
462K35.6Very low36.7Very low198 Ų198146.2 Ų146.286%0.86181%0.81SS**  trans-177.4147.8134.8-98.7147.1-165.5167.90115.7
463V42.6Very low36.6Very low130 Ų130144 Ų14479%0.78881%0.807SS**  trans-61.1143.7172.81700000112.9
464M36.9Very low36.6Very low141 Ų141140.3 Ų140.370%0.69580%0.8SS**  trans-174.3127.5141.6-99.5-81.7101.600113.7
465K40.5Very low36.8Very low163 Ų163143.2 Ų143.271%0.70981%0.805SS**  trans52.9118.3150.1-66.9163.3179153.30120.6K467K465-K467 PolarHBondContact O-N 2.74Å; K465-K467 VanDerWaalsContact O-N 3.17Å
466P38.2Very low37Very low143 Ų143141.4 Ų141.493%0.92980%0.798SS**  trans-72.5105.415730.7-31.6000110.1
467K38.4Very low37.2Very low192 Ų192140.5 Ų140.584%0.83580%0.798SS**  trans-91.8134.7173.3-173.4175.5177.5-177.40109.5K465 L469K465-K467 PolarHBondContact O-N 2.74Å; K465-K467 VanDerWaalsContact O-N 3.17Å; K467-L469 PolarHBondContact O-N 3.36Å
468R40.4Very low38Very low229 Ų229141.2 Ų141.286%0.86480%0.796SS**  trans-47.6131.5171.8-84.8178.9165.5175.7-5.9111.2
469L38.4Very low38.1Very low169 Ų169141 Ų14189%0.88580%0.795SS**  trans-130.7129.9147.5-73.3178.2000108.4K467K467-L469 PolarHBondContact O-N 3.36Å
470S31.1Very low38.2Very low114 Ų114146.7 Ų146.780%0.79780%0.8SS**  trans-98.8129.9168.2-61.60000107.7
471T38.8Very low38.1Very low151 Ų151148.2 Ų148.293%0.92680%0.802SS**  trans-89114.5168.636.40000109.6
472S31.6Very low37.7Very low115 Ų115148.9 Ų148.980%0.80481%0.807SS**  trans-89.4142.2170.753.30000111
473S31.1Very low37.8Very low101 Ų101144 Ų14471%0.70680%0.804SS**  trans-157.4135132-154.20000112
474T38.6Very low37.4Very low118 Ų118141.7 Ų141.772%0.72481%0.806SS**  trans25.5131.5144.457.50000119.3
475V37Very low37.2Very low130 Ų130140 Ų14079%0.78881%0.808SS**  -153.3140.467.9153.40000113.9
476S39.1Very low37Very low104 Ų104140.1 Ų140.173%0.72782%0.816SS**  trans33.9101.6154-53.80000124.1
477L39.9Very low37Very low165 Ų165139 Ų13986%0.86481%0.807SS**  37.1153.499.8-126.970.2000120.6
478P53.2Low37.9Very low103 Ų103135.3 Ų135.367%0.66980%0.802SS**  -138.1179.5-58.142.7-29.2000114.6
479Q34.4Very low37.5Very low193 Ų193129.2 Ų129.290%0.90279%0.794SS**  -160.3170.6125.3-111.9179.318.800114.2
480K36.7Very low37.4Very low189 Ų189127.9 Ų127.982%0.82279%0.793SS**  trans-76.8145.4-166.4-75.8179.4177.8177.60113.1
481L35.1Very low37.5Very low167 Ų167125 Ų12587%0.87478%0.782SS**  72.910654.2-76.7176.6000116.2
482S35Very low37.3Very low111 Ų111124 Ų12478%0.77678%0.78SS**  trans-165.4120.5140.4-142.30000106.6
483A37Very low37.6Very low97 Ų97123.8 Ų123.880%0.80278%0.779SS**  57.6127.276.500000113.5
484G33.3Very low38.3Very low80 Ų80128.5 Ų128.583%0.82579%0.787SS**  cis-165.2-167.44.200000114.8
485S33.6Very low38.7Very low107 Ų107128.6 Ų128.675%0.74879%0.789SS**  trans-68.3152.1-172.253.90000115.7
486L35.4Very low38.5Very low164 Ų164130.7 Ų130.786%0.85979%0.791SS**  -176.5157.6108.8-96.6161.2000113.4
487T39Very low38.7Very low121 Ų121134.3 Ų134.374%0.74280%0.796SS**  trans-117.8-177165.564.60000107.4
488P57.3Low38.8Very low114 Ų114133.8 Ų133.874%0.7480%0.799SS**  cis-135-159.2-4.937.3-15.8000113.4
489S32.7Very low38.2Very low100 Ų100133.1 Ų133.170%0.69980%0.803SS**  trans103.1131.7139.1-146.40000120.4
490V35.4Very low38.5Very low142 Ų142128.1 Ų128.186%0.86179%0.794SS**  trans47.4137.3148.2174.10000119.8
491G32.8Very low38.8Very low54 Ų54130.8 Ų130.856%0.55780%0.799SS**  cis152.5148.2-4.100000113
492S34.5Very low39.5Very low128 Ų128134 Ų13490%0.89580%0.8SS**  trans64.4145.5-172.281.30000114
493S38Very low40.3Very low111 Ų111134.7 Ų134.778%0.77680%0.801SS**  cis-160.1-179.848.954.50000112.5
494K45.8Very low40.3Very low201 Ų201135.5 Ų135.587%0.87480%0.801SS**  trans-120.3143.5171.6-65.8177.4-179.4174.40109.5
495P47Very low40.6Very low119 Ų119136.1 Ų136.177%0.77380%0.799SS**  -133.2136.9109.59.213000111.5
496Q33.6Very low41.3Very low175 Ų175138.7 Ų138.782%0.81880%0.803SS**  88.299.372.3-171.2169.7-28.800114.5
497Q43.3Very low42.2Very low179 Ų179136.7 Ų136.784%0.83680%0.8SS**  trans25.5121.3152.4-61.6-177.6-6.300121.2
498V42.5Very low42.6Very low154 Ų154136.7 Ų136.793%0.93380%0.8SS**  trans-130157.4135.5-172.10000107.8
499A40.5Very low42Very low90 Ų90137.3 Ų137.374%0.74480%0.804SS**  trans-106.6164.8-157.600000116.6
500A40.2Very low42.4Very low88 Ų88138.8 Ų138.873%0.72781%0.809SS**  trans58.6109.815000000120.1
501R41.9Very low42.6Very low245 Ų245141.6 Ų141.693%0.92581%0.809SS**  -175.7142.599.8-94.1161.2-169-120.62111.5
502R50Low43Very low235 Ų235150.7 Ų150.789%0.88783%0.827SS**  trans-81.4150.2154-70.9-179.2173.8170.1-2.7107.5
503P52.8Low43.5Very low124 Ų124156.2 Ų156.281%0.80583%0.828SS**  -133139.99336.2-27.3000113.6
504S37.3Very low43.7Very low114 Ų114157.5 Ų157.580%0.79783%0.831SS**  trans-82.9118.7161.449.30000109.2
505A39.3Very low43.1Very low94 Ų94152.7 Ų152.778%0.77782%0.823SS**  trans-120119.2172.500000109.6
506L48.7Very low42.6Very low161 Ų161152.8 Ų152.884%0.84382%0.822SS**  trans-80.8142.1174.1-71163.5000109.6T508L506-T508 PolarHBondContact O-N 3.29Å
507P54.6Low42.8Very low122 Ų122154 Ų15479%0.79282%0.824SS**  trans-71.4114177.328.6-33.3000111
508T46Very low42.3Very low120 Ų120154.6 Ų154.674%0.73683%0.827SS**PPolyproline II helixtrans-72.4130.8169.348.40000110.6L506 V510L506-T508 PolarHBondContact O-N 3.29Å; T508-V510 PolarHBondContact O-N 2.89Å
509P45.1Very low42.6Very low128 Ų128152.9 Ų152.983%0.83182%0.819SS**PPolyproline II helixtrans-67.6125.6177.927-33.6000111.4
510V41.8Very low42.1Very low131 Ų131160.1 Ų160.179%0.79483%0.827SS**PPolyproline II helixtrans-76.6122.9-177.7176.10000110.7T508 R512T508-V510 PolarHBondContact O-N 2.89Å; V510-R512 PolarHBondContact O-N 3.24Å
511K39.2Very low41.7Very low201 Ų201159.9 Ų159.987%0.87482%0.82SS**PPolyproline II helixtrans-68.9119.7168.9-62.2-177.2-179.9-178.20109.5
512R41.7Very low41.2Very low244 Ų244154.6 Ų154.692%0.92181%0.81SS**PPolyproline II helixtrans-83.9130.6165.7-79.6-172.7168-169.9-4.1110V510V510-R512 PolarHBondContact O-N 3.24Å
513R45.4Very low40.5Very low245 Ų245151.8 Ų151.893%0.92581%0.807SS**  trans-143.1104177.4-140-170.9-173.9-161.90.9108.8
514T41.2Very low39.5Very low138 Ų138153.9 Ų153.985%0.84781%0.812SS**  trans-160.2142.817442.70000106.9
515S33.6Very low39.2Very low99 Ų99158.9 Ų158.969%0.69281%0.813SS**  cis-142.7159.91.4-164.20000110.9
516T35.9Very low38.8Very low122 Ų122159.9 Ų159.975%0.74881%0.81SS**  trans-111.2133.8173.845.30000110.9
517F37.4Very low38Very low200 Ų200160.2 Ų160.288%0.87781%0.811SS**  trans-139.3157.8154.4-75.1-67.5000109.5
518Q34.2Very low36.9Very low192 Ų192165.1 Ų165.190%0.89781%0.814SS**  trans-135.9168.1-166.3-100.2-162.2-27.600112.9
519P48.8Very low36.9Very low117 Ų117164.4 Ų164.476%0.7681%0.812SS**  trans-107.4170.1-148.541.1-38.8000116.9
520R29.4Very low37.3Very low242 Ų242163 Ų16391%0.91380%0.802SS**  trans-170.4157.8162-106-177.2-179.6-165.8-1.4107.8
521S32.6Very low36.9Very low84 Ų84166.8 Ų166.859%0.58781%0.808SS**  cis-161.4163.2-12.9-1440000110.3
522D31.1Very low36.6Very low134 Ų134166.2 Ų166.272%0.71780%0.801SS**  trans59.9121150.1-59.3-54.9000124.2
523Q34.7Very low36.8Very low175 Ų175160.1 Ų160.182%0.81879%0.793SS**  trans-10.6141.2142.8-48.9172.82500118.4
524N31.8Very low36Very low169 Ų169153.2 Ų153.290%0.90477%0.774SS**  trans-149.6174.4131.7-132.1-50.5000113.4
525R31.8Very low35.6Very low219 Ų219152.3 Ų152.383%0.82677%0.773SS**  trans-138.4149.1-153-169.5-163.3-176.1-177.21.5112.2
526T30.6Very low35.5Very low114 Ų114153.1 Ų153.170%0.69978%0.779SS**  trans74.4125.2162.2-6.20000117.5
527L31.5Very low35.6Very low168 Ų168154.9 Ų154.988%0.8878%0.782SS**  -176.5160.1104.1-93.2171.4000112.6
528R30.9Very low36.1Very low226 Ų226150.4 Ų150.485%0.85377%0.773SS**  trans-172.9168.5-175-151.2-143.7-169.2177.25.3106.9
529P47.2Very low35.9Very low105 Ų105147 Ų14768%0.68277%0.769SS**  cis-103.5-133.2-40.541.3-25.5000107.3
530P53.5Low35Very low97 Ų97147.7 Ų147.763%0.6377%0.772SS**  cis-125.7-176.7-34.139.2-24.2000113.1
531F31.8Very low36Very low211 Ų211141.8 Ų141.893%0.92577%0.765SS**  -160.5152.7127.7-97.9-62.1000112
532R34Very low35.8Very low190 Ų190143.2 Ų143.272%0.71778%0.775SS**  trans-154.3138.1175.2-152.4-174.6-162.3-123.15.4106.9D534R532-D534 VanDerWaalsContact CD-OD2 3.32Å; R532-D534 WeakPolarHBondContact CD-OD2 3.48Å; R532-D534 IonicContact CZ-OD1 3.5Å; R532-D534 IonicContact CZ-OD2 3.6Å; R532-D534 IonicContact NE-OD2 3.71Å; R532-D534 IonicContact NH1-OD1 2.68Å; R532-D534 PolarHBondContact NH1-OD1 3.15Å; R532-D534 IonicContact NH1-OD2 2.78Å; R532-D534 PolarHBondContact NH1-OD2 2.77Å
533P45Very low35.8Very low116 Ų116141.8 Ų141.875%0.75378%0.775SS**  -136.2166.2103.133.4-18.5000111.4
534D29.1Very low35.8Very low99 Ų99137.6 Ų137.653%0.52977%0.771SS.*  cis83.7142.528.1-67-57.2000116.3R532R532-D534 VanDerWaalsContact CD-OD2 3.32Å; R532-D534 WeakPolarHBondContact CD-OD2 3.48Å; R532-D534 IonicContact CZ-OD1 3.5Å; R532-D534 IonicContact CZ-OD2 3.6Å; R532-D534 IonicContact NE-OD2 3.71Å; R532-D534 IonicContact NH1-OD1 2.68Å; R532-D534 PolarHBondContact NH1-OD1 3.15Å; R532-D534 IonicContact NH1-OD2 2.78Å; R532-D534 PolarHBondContact NH1-OD2 2.77Å
535S33.3Very low35.8Very low119 Ų119136.6 Ų136.683%0.83276%0.76SS**  trans76.3144-173.174.40000116.7
536S31.1Very low36Very low117 Ų117133.9 Ų133.982%0.81876%0.755SS**  cis-160.2163.6-9.339.70000114.4
537I37.7Very low36Very low158 Ų158137.9 Ų137.981%0.8176%0.757SS**  trans-85.3172.8176.2-58.8150.4000110.1
538P47.6Very low36Very low106 Ų106138.9 Ų138.969%0.68876%0.757SS**  cis-125.5179.7-19.928.3-7.3000114.9
539C29.6Very low36.2Very low120 Ų120137.9 Ų137.981%0.81175%0.753SS**  170.7159.5113.7-960000115.9
540T31.5Very low35.3Very low132 Ų132138.2 Ų138.281%0.8176%0.757SS**  trans-113.5-16817456.40000108.8
541P50.6Low34.3Very low118 Ų118138.7 Ų138.777%0.76676%0.763SS**  cis-144.3-159.86.145.5-24.5000116.8
542S28.5Very low35.4Very low115 Ų115134.1 Ų134.180%0.80475%0.754SS**  trans86148.4166.5-126.30000116.9
543S30.6Very low35.3Very low103 Ų103130.5 Ų130.572%0.7275%0.753SS**  cis-154.8160.69-167.70000113.5
544A34.8Very low36Very low88 Ų88130.3 Ų130.373%0.72775%0.752SS**  trans60.5150.5159.200000119.7
545E31.6Very low36.2Very low147 Ų147135.7 Ų135.769%0.68777%0.77SS**  cis-151134.5-13.9-113.2-168.5139.100107.2
546K34.8Very low36.1Very low163 Ų163133.1 Ų133.171%0.70976%0.763SS**  65.3133.986.9175.3-159.3177.2-174.30114.2
547R32.2Very low36.3Very low197 Ų197137.3 Ų137.374%0.74377%0.766SS**  cis-172.2141.5-9.3-108.4-174.3-176.4-170.52.5109.8
548Q31Very low36Very low190 Ų190137.1 Ų137.189%0.88876%0.762SS**  trans176.6127.6138.1-99.2155.7-21.500107.4
549R33.8Very low35.3Very low204 Ų204139.3 Ų139.377%0.7776%0.763SS**  cis67.5124.250-71.2-160.1168.7-160-3.5112.9
550C28.5Very low35.7Very low112 Ų112142.4 Ų142.476%0.75777%0.765SS**  cis-154.4164.46.1-105.20000114.3
551S32.6Very low35.8Very low108 Ų108144.4 Ų144.476%0.75577%0.766SS**  trans-108.4-159.9159.3-151.50000107.6
552P55.5Low36Very low114 Ų114143.5 Ų143.574%0.7476%0.76SS**  cis-112.4-145.6-20.419.86.7000111.1
553V31.5Very low36.4Very low114 Ų114144.1 Ų144.169%0.69176%0.759SS**  cis-156146.120.2176.30000111.2
554P60Low36.5Very low113 Ų113148 Ų14873%0.73477%0.765SS**  trans-101.4160.217138.9-34.7000115.4
555K34.2Very low36.6Very low211 Ų211148.8 Ų148.892%0.91776%0.764SS**  trans176.9148.6158.9-97.6151.3-176.4-1790109.6
556G29.9Very low37.5Very low65 Ų65147.3 Ų147.367%0.6777%0.767SS**  cis146143-13.500000114.7
557K34.9Very low37.3Very low205 Ų205146.7 Ų146.789%0.89177%0.771SS**  trans72.6166.9176.3-45-171.7172-164.10115.2
558Q33Very low37.3Very low154 Ų154143.4 Ų143.472%0.7277%0.767SS**  cis-128.2154.210.8-103.2179-85.400111
559E32.7Very low37.4Very low152 Ų152141.5 Ų141.571%0.7176%0.759SS**  53.4142.3100.3-68.2166.9159.200115
560E36.7Very low37.8Very low185 Ų185138.3 Ų138.386%0.86476%0.761SS**  cis-151-175.824.8-144.8169.4161.500114.8
561E35.2Very low37.9Very low175 Ų175141.2 Ų141.282%0.81876%0.761SS**  trans-82.8-174.4176.5-101.7-165.683.700113.1
562P53.3Low38.2Very low99 Ų99145.9 Ų145.964%0.64376%0.764SS**  cis-136.7-152.4-43.938.3-19.2000112.5
563V38.5Very low37.6Very low128 Ų128148 Ų14878%0.77677%0.768SS**  trans116.599153.8-173.70000117.5
564H32.4Very low37.8Very low183 Ų183151 Ų15185%0.84777%0.774SS**  trans54.2146.5137-134.751.5000123.4
565C35.8Very low36.8Very low105 Ų105153.3 Ų153.371%0.70978%0.776SS**  trans-91.4-178.1-175.4-46.90000111.6
566P50.1Low37Very low116 Ų116152.7 Ų152.775%0.75378%0.776SS**  cis-142.9170.37.243.7-25.6000118.9
567D30.9Very low37.6Very low150 Ų150156.6 Ų156.680%0.80278%0.777SS**  trans72.8163.3149.3-15621.1000120
568I33.3Very low38.1Very low128 Ų128151.7 Ų151.766%0.65677%0.766SS**  trans87.5128.9163.4-53.5-177000119.1
569Q33Very low39.1Very low151 Ų151150.6 Ų150.671%0.70677%0.772SS**  trans74.2126.3157.5-82.5163.68.100123.2F571Q569-F571 HydrophobicContact CB-CD2 4.22Å; Q569-F571 HydrophobicContact CB-CE2 3.81Å
570V42.7Very low39.3Very low137 Ų137151.7 Ų151.783%0.8378%0.775SS**  trans-63141155.2-158.20000109.3
571F30.5Very low39Very low172 Ų172150.7 Ų150.775%0.75477%0.774SS**  trans-129.9136.5167.8-90.2-83.4000112.4Q569Q569-F571 HydrophobicContact CB-CD2 4.22Å; Q569-F571 HydrophobicContact CB-CE2 3.81Å
572Y37.2Very low39.1Very low207 Ų207149.6 Ų149.681%0.81277%0.773SS**  trans-82.1144.2170.5-105.1-124.9000110.5
573L43.3Very low38.7Very low158 Ų158150.6 Ų150.683%0.82778%0.779SS**  trans-166.2141.5147.7-132.465.2000106.3
574E35.9Very low38.3Very low176 Ų176149.6 Ų149.682%0.82278%0.778SS**  cis-142161.36.8-159.6159.5-17400109.7
575E39.2Very low38.1Very low162 Ų162148.5 Ų148.576%0.75778%0.777SS**  trans-132.4135.4-173.5178.4171.1-165.800109.4
576E39.1Very low37.9Very low199 Ų199148.4 Ų148.493%0.9378%0.777SS**  trans-122.4111.7175.1-165.217714400109.8
577E41.5Very low37.8Very low147 Ų147148.3 Ų148.369%0.68778%0.776SS**PPolyproline II helixtrans-103.2142.3-172.3-171.8-173.8178.800111.4
578P46.2Very low37.7Very low102 Ų102148.7 Ų148.766%0.66277%0.773SS**PPolyproline II helixtrans-76.1153.2179.431.3-36.7000113.9
579P53Low37.5Very low130 Ų130147.2 Ų147.284%0.84477%0.77SS**PPolyproline II helixtrans-80.7135.5-17331.1-35.8000115
580F37.5Very low37.3Very low175 Ų175147.9 Ų147.977%0.76877%0.771SS**PPolyproline II helixtrans-79.7159.1163.7-93.1-97.9000112.8
581I31.1Very low36.8Very low165 Ų165148.9 Ų148.985%0.84677%0.767SS**  trans-167.6146.2135.6-99.2150.6000110.5
582L37.1Very low36.8Very low151 Ų151145.4 Ų145.479%0.79176%0.76SS**  trans-138.9151171.1-97.6170.7000107.7
583P44.5Very low36.5Very low121 Ų121143.3 Ų143.379%0.78676%0.757SS**  -153.5177.593.139.9-20.4000117.5
584S29.5Very low36Very low106 Ų106141.1 Ų141.174%0.74175%0.746SS**  trans-59.6157.5176.7-179.30000116.8
585I29.4Very low35.9Very low161 Ų161139.7 Ų139.783%0.82674%0.741SS**  -176.5152.7122.7-90.2152000110.5
586S31.3Very low35.5Very low102 Ų102137.4 Ų137.471%0.71373%0.734SS**  trans-119.1148.9174.4-179.50000110
587P46.9Very low35.4Very low114 Ų114135.4 Ų135.474%0.7473%0.729SS**  -153.3144.8108.838-19.9000117.9
588E29.4Very low34.9Very low159 Ų159132.5 Ų132.574%0.74374%0.738SS**  trans52155.8132-115.5-165.4124.600126.1
589T30Very low34.2Very low96 Ų96132.1 Ų132.159%0.58974%0.744SS**  trans82106.2149.348.40000124.2
590K29Very low33.2Very low165 Ų165131 Ų13172%0.71774%0.739SS**  70.4118.6116.3-70.3174.1-173.2160.90122.4
591Q30.6Very low32.9Very low159 Ų159128.1 Ų128.174%0.74374%0.736SS**  86.8157.1114.8-171.1176.2-10.300119.9
592T31.6Very low33Very low99 Ų99126.7 Ų126.761%0.60774%0.735SS**  trans70.7106.8166.422.30000116
593Q31.5Very low32.9Very low163 Ų163123.8 Ų123.876%0.76273%0.727SS**  87.8150.598.7-87.8-172.6-11.500113
594N31.8Very low32.3Very low111 Ų111126.1 Ų126.159%0.59473%0.727SS**  cis-158.3157.2-3-131.9-9.6000110.1
595M33.3Very low32.4Very low147 Ų147126.9 Ų126.972%0.72473%0.728SS**  trans65159.7150.8-65.1169.672.400117.3
596D30.9Very low32.7Very low113 Ų113125.1 Ų125.160%0.60472%0.724SS**  cis-150.5170.8-4.1-139.2-10.8000114.7
597L37.3Very low33.4Very low158 Ų158125.1 Ų125.183%0.82772%0.722SS**  trans43.7124.6148.5-74.7162.5000121.6
598G32Very low32.7Very low85 Ų85126.3 Ų126.388%0.87672%0.722SS**  trans-17936166.700000116.5
599A31.4Very low32.7Very low94 Ų94124.3 Ų124.378%0.77772%0.721SS**  trans-94.6131.9-167.300000115.6
600S31.9Very low33.1Very low108 Ų108125.4 Ų125.476%0.75573%0.727SS**  trans-166.7107.8146.7-164.90000107.5
601T30.3Very low33.2Very low113 Ų113124.9 Ų124.969%0.69373%0.727SS**  71.8143.551.773.80000115.7
602V33.1Very low33.5Very low135 Ų135123.4 Ų123.482%0.81872%0.724SS**  trans77.6127.1173.4-170.90000115.5
603S34.5Very low33.5Very low90 Ų90126.2 Ų126.263%0.62973%0.73SS**  cis-168152.4-21.7-113.10000110.7
604E32.4Very low33.6Very low170 Ų170126.4 Ų126.479%0.79473%0.731SS**  49.5127.7125.4-142.5160.3-16800118.9
605T31.4Very low33.7Very low123 Ų123126.8 Ų126.876%0.75574%0.738SS**  -164.3139.667.1-56.20000111.8
606V36.8Very low34Very low123 Ų123129 Ų12975%0.74575%0.746SS**  trans-110.5155.4162.2-150.70000107.5
607P45.1Very low34.3Very low102 Ų102131.6 Ų131.666%0.66275%0.754SS**  -152.4132102.434.6-15.5000116.7
608N33.1Very low34.5Very low140 Ų140129.9 Ų129.975%0.74976%0.756SS**  trans67.9168.9133.7-53.3-8.3000117
609T29.2Very low34.9Very low116 Ų116130.4 Ų130.471%0.71274%0.742SS**  cis-160.5127.329.6-42.20000112.6
610V38.1Very low35.7Very low120 Ų120133.1 Ų133.173%0.72775%0.749SS**  trans66.2150.6145.9162.90000119.4
611E30.5Very low36.2Very low153 Ų153133.7 Ų133.772%0.71575%0.748SS**  cis-179.1175.7-24.8-167160.5-138.700108.2
612L37Very low37Very low129 Ų129134.8 Ų134.868%0.67576%0.755SS**  trans69.8129.8176.3-66.1108.4000116.1
613E31.3Very low37.6Very low157 Ų157137 Ų13773%0.73476%0.756SS**  cis75137.349-65.4178170.900112.2
614E33.7Very low38Very low168 Ų168141 Ų14179%0.78577%0.765SS**  cis-159.2-165-0.9-136.7-170.1176.300110.7
615T33.5Very low38.8Very low119 Ų119138.8 Ų138.873%0.7376%0.763SS**  trans86.5106.7157.6-400000117.6
616E40.1Very low39.8Very low192 Ų192140.5 Ų140.590%0.89777%0.767SS**  trans-75.3133.6153-50.8175.6122.300109.7
617E38Very low40.7Very low168 Ų168142.4 Ų142.479%0.78577%0.772SS**  trans-147.5132151.2-165.7171.2-158.200111.3T619E617-T619 HydrophobicContact CG-CG2 4.47Å
618S42.1Very low41.3Very low122 Ų122144.1 Ų144.185%0.85378%0.775SS**  trans-110.6101.1-178.947.50000111
619T40.4Very low42.5Very low97 Ų97144.9 Ų144.960%0.59578%0.779SS**  trans-126119.1171.151.70000112.2E617 T621E617-T619 HydrophobicContact CG-CG2 4.47Å; T619-T621 PolarHBondContact O-N 3.22Å
620T47.6Very low44.5Very low151 Ų151145.2 Ų145.293%0.92678%0.776SS**  trans-69.1108.4174.750.50000110.2
621T42.8Very low45.9Very low119 Ų119144.8 Ų144.873%0.7378%0.775SS**  trans-123.2132.9170.746.20000110.8T619 Q623T619-T621 PolarHBondContact O-N 3.22Å; T621-Q623 PolarHBondContact O-N 3.44Å
622T46.8Very low47.1Very low137 Ų137143 Ų14384%0.8478%0.777SS**  trans-68.7109.7-178.844.70000110.4E624T622-E624 PolarHBondContact O-N 2.9Å
623Q44.5Very low47.9Very low181 Ų181142.1 Ų142.185%0.84678%0.779SS**  trans-70.1100.1165.2-72.3-169.2-100109.3T621 V625T621-Q623 PolarHBondContact O-N 3.44Å; Q623-V625 PolarHBondContact O-N 2.89Å; Q623-V625 VanDerWaalsContact O-N 3.09Å
624E44.6Very low48.8Very low175 Ų175140.2 Ų140.282%0.81878%0.783SS**  trans-60.8109.5161.2-65.4-170.1149.100107.9T622 L626T622-E624 PolarHBondContact O-N 2.9Å; E624-L626 PolarHBondContact O-N 2.65Å
625V47.6Very low49.6Very low122 Ų122139.6 Ų139.674%0.73978%0.784SS**  trans-67.199.8179.7179.40000108.5Q623 L627Q623-V625 PolarHBondContact O-N 2.89Å; Q623-V625 VanDerWaalsContact O-N 3.09Å; V625-L627 PolarHBondContact O-N 2.75Å
626L53.4Low50.5Low159 Ų159140.8 Ų140.883%0.83278%0.781SS**  trans-56.6106.1170.3-72.2171.8000108.5E624 L628E624-L626 PolarHBondContact O-N 2.65Å; L626-L628 VanDerWaalsContact C-N 3.25Å; L626-L628 PolarHBondContact O-N 3.35Å
627L54.7Low51Low164 Ų164137 Ų13786%0.85977%0.773SS**  trans-66.886.7175.7-73.2172.3000109.3V625 D629V625-L627 PolarHBondContact O-N 2.75Å; L627-D629 PolarHBondContact O-N 3.27Å
628L58.3Low51.8Low138 Ų138134.7 Ų134.772%0.72376%0.763SS**  trans-70.898.2176.7-162.872.6000108.3L626 L630L626-L628 VanDerWaalsContact C-N 3.25Å; L626-L628 PolarHBondContact O-N 3.35Å; L628-L630 HydrophobicContact CD2-CD1 4.24Å; L628-L630 HydrophobicContact CD2-CD2 3.93Å; L628-L630 HydrophobicContact CD2-CG 4.06Å; L628-L630 HydrophobicContact CG-CD2 4.11Å; L628-L630 HydrophobicContact CG-CG 4.15Å; L628-L630 PolarHBondContact O-N 2.77Å
629D58.4Low52.6Low156 Ų156137 Ų13783%0.83476%0.76SS**  trans-68.675.9179.8-171.627.6000110.8L627L627-D629 PolarHBondContact O-N 3.27Å
630L70.3Confident53.5Low123 Ų123140.2 Ų140.264%0.64477%0.766SS**PPolyproline II helixtrans-78.3129.2173.6-65.3179.3000108.9L628L628-L630 HydrophobicContact CD2-CD1 4.24Å; L628-L630 HydrophobicContact CD2-CD2 3.93Å; L628-L630 HydrophobicContact CD2-CG 4.06Å; L628-L630 HydrophobicContact CG-CD2 4.11Å; L628-L630 HydrophobicContact CG-CG 4.15Å; L628-L630 PolarHBondContact O-N 2.77Å
631P67.8Low54.3Low110 Ų110139.3 Ų139.371%0.71476%0.755SS**PPolyproline II helixtrans-59.9137.9179.425.4-34000110
632P57.2Low55.5Low117 Ų117142.4 Ų142.476%0.7677%0.766SS**PPolyproline II helixtrans-59.4136.1-172.122.9-33.9000110.8S634P632-S634 PolarHBondContact O-N 3.15Å
633P52.4Low56.5Low110 Ų110141.5 Ų141.571%0.71476%0.755SS**PPolyproline II helixtrans-59.1130.3-177.324.1-33.6000109.6L635P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.97Å
634S50.5Low57.5Low117 Ų117138.2 Ų138.282%0.81874%0.743SS**  trans-71.982.2-179.161.50000110.4P632 Q636P632-S634 PolarHBondContact O-N 3.15Å; S634-Q636 VanDerWaalsContact C-N 3.31Å; S634-Q636 PolarHBondContact O-N 2.79Å
635L50.2Low58.7Low155 Ų155135.2 Ų135.281%0.81273%0.732SS**  trans-61.693.1170.1-65.5178.3000108.7P633 P637P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.97Å; L635-P637 VanDerWaalsContact O-CD 3.29Å; L635-P637 WeakPolarHBondContact O-CD 3.05Å
636Q53Low59.7Low143 Ų143133.7 Ų133.767%0.66873%0.732SS**  trans-59.2122.6158.4-82-166.1-15.200107.3S634 Q638S634-Q636 VanDerWaalsContact C-N 3.31Å; S634-Q636 PolarHBondContact O-N 2.79Å; Q636-Q638 HydrophobicContact CB-CG 4.31Å; Q636-Q638 PolarHBondContact O-N 2.75Å
637P49.5Very low60Low112 Ų112132.8 Ų132.873%0.72773%0.728SS**  trans-72.378.5166.731.5-33000108L635 E639L635-P637 VanDerWaalsContact O-CD 3.29Å; L635-P637 WeakPolarHBondContact O-CD 3.05Å; P637-E639 PolarHBondContact O-N 3.38Å
638Q54.8Low60.4Low120 Ų120129 Ų12956%0.56171%0.711SS**  trans-70.891.5161.8-70-168.67.800106.8Q636 K640Q636-Q638 HydrophobicContact CB-CG 4.31Å; Q636-Q638 PolarHBondContact O-N 2.75Å; Q638-K640 HydrophobicContact CB-CG 4.39Å; Q638-K640 PolarHBondContact O-N 2.74Å
639E59.9Low60.4Low172 Ų172126.7 Ų126.780%0.80471%0.705SS**  trans-65.668.4170.4-65.7-177.6171.900109.8P637 L641P637-E639 PolarHBondContact O-N 3.38Å; E639-L641 VanDerWaalsContact C-N 3.29Å; E639-L641 PolarHBondContact O-N 2.94Å
640K60.1Low60.2Low164 Ų164127.3 Ų127.371%0.71371%0.708SS**  trans-67.393.3168.2-68.6-176.1-179179.40106.9Q638 L642Q638-K640 HydrophobicContact CB-CG 4.39Å; Q638-K640 PolarHBondContact O-N 2.74Å; K640-L642 PolarHBondContact O-N 2.95Å
641L64.2Low59.7Low132 Ų132128.8 Ų128.869%0.69172%0.716SS**  trans-49.4124.9168.7-60.9176.3000107.8E639 I643E639-L641 VanDerWaalsContact C-N 3.29Å; E639-L641 PolarHBondContact O-N 2.94Å; L641-I643 PolarHBondContact O-N 3.25Å
642L68.1Low59.2Low183 Ų183130.6 Ų130.696%0.95872%0.718SS**SBendtrans-68.311.2-178.4-70.3166.5000113.5K640K640-L642 PolarHBondContact O-N 2.95Å
643I67.4Low59Low119 Ų119135.8 Ų135.861%0.6172%0.723SS**SBendtrans-131.5106.7-179.7-54.6175.3000105.7L641 L645L641-I643 PolarHBondContact O-N 3.25Å; I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 HydrophobicContact CG2-CD2 3.71Å; I643-L645 HydrophobicContact CG2-CG 4.11Å; I643-L645 PolarHBondContact O-N 2.85Å
644D65.2Low58.9Low111 Ų111137.2 Ų137.259%0.59473%0.729SS**  trans-74.188.5173.1-179.718.2000110.1A646 N647D644-A646 PolarHBondContact O-N 2.77Å; D644-A646 VanDerWaalsContact OD1-CB 3.24Å; D644-A646 WeakPolarHBondContact OD1-CB 3.45Å; D644-A646 PolarHBondContact OD1-N 3.02Å; D644-A646 VanDerWaalsContact OD1-N 3.09Å; D644-N647 PolarHBondContact O-N 2.84Å
645L69.5Low58.6Low112 Ų112136.5 Ų136.559%0.58672%0.724SS**G310 helixtrans-66.8-12.3179-66.9173.9000113.1I643 N647 T648I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 HydrophobicContact CG2-CD2 3.71Å; I643-L645 HydrophobicContact CG2-CG 4.11Å; I643-L645 PolarHBondContact O-N 2.85Å; L645-N647 PolarHBondContact O-N 3.25Å; L645-T648 WeakPolarHBondContact CA-OG1 3.28Å; L645-T648 WeakPolarHBondContact O-CB 3.27Å; L645-T648 PolarHBondContact O-N 3.1Å; L645-T648 VanDerWaalsContact O-N 3.09Å; L645-T648 PolarHBondContact O-OG1 3.09Å
646A68.1Low58.5Low91 Ų91134.9 Ų134.975%0.75273%0.726SS**G310 helixtrans-68.5-15.6176.500000113.2D644D644-A646 PolarHBondContact O-N 2.77Å; D644-A646 VanDerWaalsContact OD1-CB 3.24Å; D644-A646 WeakPolarHBondContact OD1-CB 3.45Å; D644-A646 PolarHBondContact OD1-N 3.02Å; D644-A646 VanDerWaalsContact OD1-N 3.09Å
647N59.7Low58.1Low140 Ų140134.4 Ų134.475%0.74973%0.728SS**G310 helixtrans-95.89173.4-120.5-28.4000113.3D644 L645 P649D644-N647 PolarHBondContact O-N 2.84Å; L645-N647 PolarHBondContact O-N 3.25Å; N647-P649 WeakPolarHBondContact O-CD 3.39Å
648T63.4Low58Low83 Ų83134.3 Ų134.351%0.50973%0.73SS.*SBendtrans-79.6121.3172-36.90000108.9L645L645-T648 WeakPolarHBondContact CA-OG1 3.28Å; L645-T648 WeakPolarHBondContact O-CB 3.27Å; L645-T648 PolarHBondContact O-N 3.1Å; L645-T648 VanDerWaalsContact O-N 3.09Å; L645-T648 PolarHBondContact O-OG1 3.09Å
649P58.8Low57.2Low90 Ų90134.3 Ų134.358%0.58474%0.742SS**  trans-65.4138.6174.426.3-33.2000110.9N647 L651N647-P649 WeakPolarHBondContact O-CD 3.39Å; P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 HydrophobicContact CG-CD1 4.32Å; P649-L651 HydrophobicContact CG-CG 4.28Å; P649-L651 PolarHBondContact O-N 3.18Å
650D55.3Low56.5Low170 Ų170131.5 Ų131.591%0.90974%0.737SS**  trans-66.976.8179.6-90-44.7000112.2I652D650-I652 PolarHBondContact O-N 3.09Å
651L58.8Low56.1Low154 Ų154129.9 Ų129.981%0.80674%0.741SS**  trans-78.541-176.5-73.1173000113.9P649P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 HydrophobicContact CG-CD1 4.32Å; P649-L651 HydrophobicContact CG-CG 4.28Å; P649-L651 PolarHBondContact O-N 3.18Å
652I57.8Low55.1Low147 Ų147129.7 Ų129.775%0.75475%0.746SS**  trans-141.3132.9170.6-22.1178.4000112.9D650D650-I652 PolarHBondContact O-N 3.09Å
653R52.2Low54.2Low226 Ų226129.7 Ų129.785%0.85374%0.741SS**  trans78.887.5162.3-43.7174.277.6175.74.7117.6
654T50.5Low53.4Low140 Ų140132.4 Ų132.486%0.85976%0.755SS**  -168115.8109.2350000112.2
655S43.8Very low52.8Low102 Ų102133.3 Ų133.371%0.71376%0.759SS**  trans-157.654.8162.351.10000110.6N657S655-N657 PolarHBondContact O-N 2.84Å
656S47.9Very low52.3Low122 Ų122133.5 Ų133.585%0.85376%0.76SS**  trans-75.158.3172.357.20000111.1
657N45Very low51.8Low132 Ų132136.5 Ų136.571%0.70676%0.763SS**  trans-113.3138.2-171.2-61.125.3000108.5S655 C659S655-N657 PolarHBondContact O-N 2.84Å; N657-C659 PolarHBondContact O-N 2.88Å; N657-C659 VanDerWaalsContact O-N 3.14Å
658S47.4Very low51.6Low110 Ų110134.3 Ų134.377%0.76976%0.759SS**  trans-65.4111-169.350.50000113T660S658-T660 PolarHBondContact O-N 2.94Å; S658-T660 VanDerWaalsContact O-N 3.14Å
659C37.8Very low50.9Low121 Ų121135 Ų13582%0.81877%0.767SS**  trans-74.2100.1172.8-176.70000110.8N657N657-C659 PolarHBondContact O-N 2.88Å; N657-C659 VanDerWaalsContact O-N 3.14Å
660T45.5Very low50.7Low113 Ų113136.3 Ų136.369%0.69378%0.776SS**  trans-90.8101.2167.148.20000110.5S658S658-T660 PolarHBondContact O-N 2.94Å; S658-T660 VanDerWaalsContact O-N 3.14Å
661T52.1Low50.2Low129 Ų129136.1 Ų136.179%0.79177%0.774SS**  trans46.476147.355.60000117.9
662T42.9Very low50.2Low129 Ų129135.6 Ų135.679%0.79177%0.77SS**  trans-123.5131.5137.547.80000108.5L664T662-L664 PolarHBondContact O-N 3.42Å
663Q48.2Very low49.9Very low182 Ų182136.5 Ų136.585%0.8577%0.769SS**  trans-90.3103.8-171.3-70.6172.3-2000110.3I665Q663-I665 PolarHBondContact O-N 2.85Å
664L52.1Low50.1Low176 Ų176136.3 Ų136.392%0.92177%0.768SS**  trans-73.1120.7157-68.4178.2000107.7T662 D666T662-L664 PolarHBondContact O-N 3.42Å; L664-D666 PolarHBondContact O-N 2.96Å
665I52Low49.9Very low131 Ų131132 Ų13267%0.67274%0.743SS**  trans-78.4120.8-160.6-51169.8000110.5Q663 L667Q663-I665 PolarHBondContact O-N 2.85Å; I665-L667 HydrophobicContact CB-CD2 4.4Å; I665-L667 HydrophobicContact CB-CG 4.28Å; I665-L667 HydrophobicContact CG2-CD2 3.58Å; I665-L667 HydrophobicContact CG2-CG 3.87Å; I665-L667 PolarHBondContact O-N 3.26Å; I665-L667 VanDerWaalsContact O-N 3.08Å
666D58.8Low50.4Low115 Ų115133.5 Ų133.562%0.61575%0.751SS**  trans-75.293.3165.7-178.74.1000109.9L664 S668L664-D666 PolarHBondContact O-N 2.96Å; D666-S668 PolarHBondContact O-N 2.57Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.29Å; D666-S668 PolarHBondContact OD1-N 3.15Å; D666-S668 PolarHBondContact OD1-OG 2.82Å
667L58.6Low50.5Low155 Ų155134.7 Ų134.781%0.81274%0.743SS**THydrogen-bonded Turntrans-79.413.4177.9-66.3172.4000113.5I665I665-L667 HydrophobicContact CB-CD2 4.4Å; I665-L667 HydrophobicContact CB-CG 4.28Å; I665-L667 HydrophobicContact CG2-CD2 3.58Å; I665-L667 HydrophobicContact CG2-CG 3.87Å; I665-L667 PolarHBondContact O-N 3.26Å; I665-L667 VanDerWaalsContact O-N 3.08Å
668S54.8Low50.8Low94 Ų94135.5 Ų135.566%0.65775%0.747SS**THydrogen-bonded Turntrans-992.4-173.577.10000116.2D666D666-S668 PolarHBondContact O-N 2.57Å; D666-S668 VanDerWaalsContact OD1-CB 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.29Å; D666-S668 PolarHBondContact OD1-N 3.15Å; D666-S668 PolarHBondContact OD1-OG 2.82Å
669S49.2Very low51.4Low98 Ų98139.4 Ų139.469%0.68575%0.75SS**SBendtrans-86.2119.9167.9-74.80000111.5
670P54.3Low52.2Low117 Ų117142.5 Ų142.576%0.7675%0.75SS**SBendtrans-75.9156.9-174.631.5-36.1000112.8
671L45.7Very low52.9Low165 Ų165145.7 Ų145.786%0.86476%0.757SS**  trans7485.6-173.6-56.2171.1000113.9K673L671-K673 PolarHBondContact O-N 2.76Å
672I57.3Low52.7Low143 Ų143146.5 Ų146.573%0.73376%0.757SS**  trans-52.4108.9160.7-45.9164.6000108.1W674I672-W674 VanDerWaalsContact CG2-CD1 3.47Å; I672-W674 HydrophobicContact CG2-CG 4.39Å; I672-W674 PolarHBondContact O-N 2.87Å
673K52.8Low53.3Low167 Ų167145.4 Ų145.473%0.72675%0.754SS**  trans-7680.2168.9-81.2-15472.4-133.60109.7L671 S675L671-K673 PolarHBondContact O-N 2.76Å; K673-S675 WeakPolarHBondContact CE-OG 3.32Å; K673-S675 PolarHBondContact NZ-OG 3.34Å; K673-S675 PolarHBondContact O-N 3.2Å
674W56.4Low53.6Low221 Ų221139.9 Ų139.984%0.83774%0.739SS**  trans-58.3109.2155.3-70.280.1000107.4I672I672-W674 VanDerWaalsContact CG2-CD1 3.47Å; I672-W674 HydrophobicContact CG2-CG 4.39Å; I672-W674 PolarHBondContact O-N 2.87Å
675S46.2Very low53.7Low49 Ų49137.2 Ų137.234%0.34373%0.733SS.*  trans-151.995.5177.1-59.10000106.8K673 E677K673-S675 WeakPolarHBondContact CE-OG 3.32Å; K673-S675 PolarHBondContact NZ-OG 3.34Å; K673-S675 PolarHBondContact O-N 3.2Å; S675-E677 PolarHBondContact O-N 2.8Å
676P53.3Low54Low134 Ų134139 Ų13987%0.8774%0.743SS**  trans-74.675.6178.730.9-33.9000109.6D678P676-D678 PolarHBondContact O-N 3.2Å; P676-D678 VanDerWaalsContact O-N 3.08Å
677E50.4Low54.1Low148 Ų148140.8 Ų140.869%0.69275%0.751SS**  trans-84.455.5-179.4-131.690.1-13800110.9S675S675-E677 PolarHBondContact O-N 2.8Å
678D51.8Low53.7Low148 Ų148140.9 Ų140.979%0.79175%0.752SS**  trans-123111.6173.8-134.6-30.3000111.6P676P676-D678 PolarHBondContact O-N 3.2Å; P676-D678 VanDerWaalsContact O-N 3.08Å
679K58.3Low54Low192 Ų192143.3 Ų143.384%0.83576%0.757SS**  trans-103.283.1-170.6-67.6-177.7-177.7178.20110
680K55.7Low54.1Low187 Ų187144 Ų14481%0.81376%0.762SS**  trans-11483.8177.7-139.2174.3-172.9179.90112.4N682K680-N682 PolarHBondContact O-N 3.02Å
681E60Low53.8Low179 Ų179151.5 Ų151.584%0.83678%0.783SS**  trans2567.4141-162.8163.2-136.500116.6S683E681-S683 PolarHBondContact O-N 3.14Å; E681-S683 VanDerWaalsContact O-N 3.15Å
682N47.7Very low54.3Low147 Ų147150.8 Ų150.879%0.78678%0.779SS**  trans-8584.3174-167.7-2.5000110.1K680 A684K680-N682 PolarHBondContact O-N 3.02Å; N682-A684 PolarHBondContact O-N 3.06Å
683S55.4Low54.1Low106 Ų106151.2 Ų151.274%0.74178%0.781SS**  trans-77.956.8-179.7-660000112.8E681E681-S683 PolarHBondContact O-N 3.14Å; E681-S683 VanDerWaalsContact O-N 3.15Å
684A54.5Low54.2Low65 Ų65150.3 Ų150.354%0.53778%0.784SS.*  trans-85.9133.5170.700000110.8N682 L686N682-A684 PolarHBondContact O-N 3.06Å; A684-L686 PolarHBondContact O-N 3.39Å
685P54.9Low54Low120 Ų120146.2 Ų146.278%0.77978%0.781SS**  trans-71.1126.2179.228.6-33.4000111.1I687P685-I687 PolarHBondContact O-N 3.13Å
686L57.9Low54.5Low170 Ų170152.3 Ų152.389%0.8981%0.809SS**  trans-65115.4176.3-70.3170000110.7A684 N688A684-L686 PolarHBondContact O-N 3.39Å; L686-N688 PolarHBondContact O-N 3.48Å
687I61.6Low54.6Low152 Ų152153.5 Ų153.578%0.77980%0.804SS**  trans-72.9109173.7-50176.9000108P685 L689P685-I687 PolarHBondContact O-N 3.13Å; I687-L689 HydrophobicContact CG2-CD2 4.45Å; I687-L689 HydrophobicContact CG2-CG 4.21Å; I687-L689 PolarHBondContact O-N 2.68Å; I687-L689 VanDerWaalsContact O-N 3.13Å
688N50.3Low54.9Low157 Ų157153.9 Ų153.984%0.8481%0.812SS**  trans-87.784-170.9-147.213.7000110.5L686 S690L686-N688 PolarHBondContact O-N 3.48Å; N688-S690 PolarHBondContact O-N 2.78Å
689L59.9Low55.1Low144 Ų144154.3 Ų154.375%0.75481%0.814SS**  trans-88.593.2175.7-66.8178.8000110.9I687I687-L689 HydrophobicContact CG2-CD2 4.45Å; I687-L689 HydrophobicContact CG2-CG 4.21Å; I687-L689 PolarHBondContact O-N 2.68Å; I687-L689 VanDerWaalsContact O-N 3.13Å
690S52.7Low54.9Low113 Ų113151.2 Ų151.279%0.7981%0.812SS**  trans-81.2124.116554.50000110.5N688N688-S690 PolarHBondContact O-N 2.78Å
691F47.9Very low54.8Low274 Ų274147.9 Ų147.9100%1.20281%0.812SS**  trans-80.20163-68.1-89.6000111

Retrieved 691 of 691 residues in 67.5 ms (Link to these results)