A0A096NNR6_PAPAN Loading...

TOX high mobility group box family member 4

Transcription factor that modulates cell fate reprogramming from the somatic state to the pluripotent and neuronal fate. In liver, controls the expression of hormone-regulated gluconeogenic genes such as G6PC1 and PCK1. This regulation is independent of the insulin receptor activation. Also acts as a regulatory component of protein phosphatase 1 (PP1) complexes. Component of the PNUTS-PP1 protein phosphatase complex, a PP1 complex that regulates RNA polymerase II transcription pause-release. PNUTS-PP1 also plays a role in the control of chromatin structure and cell cycle progression during the transition from mitosis into interphase.

AlphaFold DB (Q5R6A9), UniProt , Accession A0A096NNR6, Species PAPAN (Papio anubis, Olive baboon), Gene TOX4, Length 621 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
1M49.8Very low45.8Very low233 Ų233154.9 Ų154.9100%1.14884%0.844SS**  0130.20-89.657.4176.700107.8
2E41.2Very low46.1Very low185 Ų185147.5 Ų147.586%0.86481%0.807SS**  trans-141.4121.4-179-171.1176.5111.300107.2
3F48.3Very low46Very low196 Ų196148.7 Ų148.786%0.8681%0.809SS**  trans-152.1152.4179.7-83.3-67.3000108.8
4P52.3Low46.3Very low127 Ų127147 Ų14783%0.82581%0.806SS**  -134.8-175.1-127.540.8-23.8000114.4
5G42.6Very low45.8Very low73 Ų73141.1 Ų141.175%0.75379%0.793SS**  trans117.486.6155.100000115.1
6G38.5Very low45.7Very low70 Ų70141.2 Ų141.272%0.72280%0.801SS**  trans-65.6149.8158.200000110.9
7N45.1Very low45.6Very low159 Ų159138.5 Ų138.585%0.8579%0.793SS**  trans-10744.3-172.757.6-5.7000113.5N9N7-N9 PolarHBondContact O-N 2.91Å
8D43.7Very low45.4Very low150 Ų150141.1 Ų141.180%0.80280%0.797SS**  trans-65.976.5168.2-72.8-78.8000111.5Y10D8-Y10 PolarHBondContact O-N 3.46Å
9N49.3Very low45.5Very low167 Ų167140.1 Ų140.189%0.89380%0.796SS**  trans-72.8115.2-178.1-155.2-27.6000110.6N7N7-N9 PolarHBondContact O-N 2.91Å
10Y42.5Very low45.2Very low179 Ų179143 Ų14370%0.70280%0.8SS**  trans-97.4116.5-144.1-167.1-136.2000112.3D8 T12D8-Y10 PolarHBondContact O-N 3.46Å; Y10-T12 HydrophobicContact CD1-CG2 4.09Å; Y10-T12 WeakPolarHBondContact CD1-OG1 3.2Å; Y10-T12 HydrophobicContact CD2-CG2 4.27Å; Y10-T12 HydrophobicContact CE1-CG2 3.64Å; Y10-T12 WeakPolarHBondContact CE1-OG1 3.48Å; Y10-T12 HydrophobicContact CE2-CG2 3.81Å; Y10-T12 HydrophobicContact CG-CG2 4.39Å; Y10-T12 VanDerWaalsContact CZ-CG2 3.47Å; Y10-T12 PolarHBondContact O-N 2.97Å; Y10-T12 VanDerWaalsContact O-N 3.07Å
11L50.7Low45.4Very low165 Ų165144 Ų14486%0.86480%0.803SS**  trans-8556.4175.3-114.8177000112.2
12T49.1Very low45.1Very low66 Ų66138.8 Ų138.841%0.40579%0.789SS.*  trans-119.1105161.873.90000110.4Y10 T14Y10-T12 HydrophobicContact CD1-CG2 4.09Å; Y10-T12 WeakPolarHBondContact CD1-OG1 3.2Å; Y10-T12 HydrophobicContact CD2-CG2 4.27Å; Y10-T12 HydrophobicContact CE1-CG2 3.64Å; Y10-T12 WeakPolarHBondContact CE1-OG1 3.48Å; Y10-T12 HydrophobicContact CE2-CG2 3.81Å; Y10-T12 HydrophobicContact CG-CG2 4.39Å; Y10-T12 VanDerWaalsContact CZ-CG2 3.47Å; Y10-T12 PolarHBondContact O-N 2.97Å; Y10-T12 VanDerWaalsContact O-N 3.07Å; T12-T14 PolarHBondContact O-N 3.33Å
13I45.1Very low45.1Very low163 Ų163134 Ų13484%0.83679%0.79SS**  trans-8589.2168.2-60.6175.2000106.7
14T49.3Very low44.9Very low125 Ų125129.2 Ų129.277%0.76779%0.786SS**  trans-147.448.5179-380000110.5T12T12-T14 PolarHBondContact O-N 3.33Å
15G39Very low44.7Very low58 Ų58131.7 Ų131.760%0.59879%0.787SS**  trans-95.3136.8173.600000111.6S17G15-S17 PolarHBondContact O-N 3.36Å
16P44.4Very low44.7Very low143 Ų143133.9 Ų133.993%0.92979%0.786SS**SBendtrans-83.576.7-170.533.6-36.6000112.7
17S43.5Very low45.2Very low95 Ų95139.5 Ų139.566%0.66479%0.791SS**  trans-148.441.8-178.371.10000115.6G15G15-S17 PolarHBondContact O-N 3.36Å
18H43.5Very low45.3Very low185 Ų185140.1 Ų140.186%0.85679%0.788SS**  trans-133.198.1168.5-95-80.1000111.7F20H18-F20 PolarHBondContact O-N 3.26Å
19P45.9Very low45.5Very low122 Ų122139.3 Ų139.379%0.79279%0.789SS**  trans-93.184.2178.835-31.4000111.2
20F39.9Very low45.4Very low199 Ų199137.1 Ų137.187%0.87378%0.784SS**  trans-166.3167.8156-130.9-111.1000110.2H18H18-F20 PolarHBondContact O-N 3.26Å
21L49.1Very low45.4Very low164 Ų164134.1 Ų134.186%0.85979%0.789SS**  trans70.873.5-173.2-49.8-176.4000114.4
22S43.1Very low45.3Very low123 Ų123134.5 Ų134.586%0.8679%0.791SS**  trans-58.9142.5164.2-51.70000111.6A24S22-A24 PolarHBondContact O-N 2.59Å
23G41.6Very low45.3Very low85 Ų85134 Ų13488%0.87680%0.799SS**SBendtrans-80.3108.4173.300000112.2
24A44Very low45.2Very low95 Ų95134.1 Ų134.179%0.78580%0.801SS**  trans-167.557.8165.900000112.9S22S22-A24 PolarHBondContact O-N 2.59Å
25E49Very low45.6Very low180 Ų180135.8 Ų135.884%0.84180%0.801SS**  trans-152.2120.4163.9-127.9164.7-16700113.1
26T42.4Very low46.2Very low119 Ų119141.2 Ų141.273%0.7381%0.81SS**  trans-92.6123-177.6-59.10000110
27F49.9Very low46.7Very low188 Ų188143.4 Ų143.483%0.82581%0.806SS**  trans-115.8108.6166.3-100.5-91.4000111.2
28H46.5Very low47.5Very low172 Ų172146.5 Ų146.580%0.79681%0.81SS**  trans-65.2133168.7-77.5-99000110.4
29T46.9Very low48.2Very low132 Ų132145 Ų14581%0.8181%0.806SS**  trans-115140.5148.440.10000108
30P47.7Very low49.1Very low121 Ų121143.7 Ų143.779%0.78680%0.798SS**  trans-76.6143.2-156.329.1-36000113.5
31S43.3Very low50Low117 Ų117139.8 Ų139.882%0.81879%0.792SS**  trans-73.4134.6160.4-175.80000109.7
32L47.4Very low50.2Low172 Ų172139.2 Ų139.290%0.90179%0.789SS**  trans-157.9132.3169.8-170.981.2000107.9
33G50.9Low50.3Low57 Ų57138.4 Ų138.459%0.58878%0.783SS**  trans84.951.7175.700000114.3E35G33-E35 PolarHBondContact O-N 2.88Å; G33-E35 VanDerWaalsContact O-N 3.11Å
34D41.4Very low50.7Low164 Ų164141.7 Ų141.788%0.87778%0.78SS**  trans-72.486.1150.9-166-125.2000106.5
35E57.7Low50.7Low160 Ų160143.9 Ų143.975%0.74878%0.778SS**  trans-115.598.1178-73.1-167.9117.900109.3G33 F37G33-E35 PolarHBondContact O-N 2.88Å; G33-E35 VanDerWaalsContact O-N 3.11Å; E35-F37 PolarHBondContact O-N 3.35Å
36E52.1Low50.5Low172 Ų172140.4 Ų140.480%0.80477%0.774SS**  trans-52.383.4177.6-174.8173.466.600113.1E38E36-E38 HydrophobicContact CG-CB 4.35Å; E36-E38 PolarHBondContact O-N 3.36Å; E36-E38 VanDerWaalsContact O-N 3.12Å
37F55.5Low50.6Low190 Ų190139.6 Ų139.683%0.83377%0.765SS**  trans-81.675.9159.2-86.7-87000109.4E35 I39E35-F37 PolarHBondContact O-N 3.35Å; F37-I39 PolarHBondContact O-N 2.89Å
38E59.6Low50.8Low159 Ų159135.9 Ų135.974%0.74376%0.76SS**  trans-60.598.4168.9-175.2163.693.600109.1E36 P40E36-E38 HydrophobicContact CG-CB 4.35Å; E36-E38 PolarHBondContact O-N 3.36Å; E36-E38 VanDerWaalsContact O-N 3.12Å; E38-P40 VanDerWaalsContact O-CD 3.31Å; E38-P40 WeakPolarHBondContact O-CD 3.49Å
39I59.4Low50.9Low153 Ų153132 Ų13279%0.78575%0.753SS**  trans-70.1113.9171.2-58.5176.6000105.8F37F37-I39 PolarHBondContact O-N 2.89Å
40P64Low50.8Low96 Ų96132.6 Ų132.662%0.62375%0.75SS**  trans-61.5142.8-176.625.7-34.3000109.7E38 I42E38-P40 VanDerWaalsContact O-CD 3.31Å; E38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-I42 PolarHBondContact O-N 3.44Å
41P58.5Low50.4Low116 Ų116130.6 Ų130.675%0.75374%0.743SS**  trans-57.9131.4176.825.2-33.7000109.1S43P41-S43 VanDerWaalsContact C-N 3.33Å; P41-S43 PolarHBondContact O-N 3.4Å
42I54Low50.7Low152 Ų152131.4 Ų131.478%0.77974%0.743SS**  trans-68.293.4174.645.7162.2000109.2P40 L44P40-I42 PolarHBondContact O-N 3.44Å; I42-L44 PolarHBondContact O-N 3.2Å
43S44.9Very low50.8Low107 Ų107128.2 Ų128.275%0.74874%0.735SS**  trans-57.9103.8168.7-650000108.9P41 D45P41-S43 VanDerWaalsContact C-N 3.33Å; P41-S43 PolarHBondContact O-N 3.4Å; S43-D45 PolarHBondContact O-N 3.08Å
44L49.1Very low50.3Low153 Ų153132.3 Ų132.380%0.80174%0.744SS**  trans-7361.5162.3-66.5175.4000108.5I42 S46I42-L44 PolarHBondContact O-N 3.2Å; L44-S46 PolarHBondContact O-N 3.36Å
45D45.5Very low50.7Low141 Ų141130.7 Ų130.775%0.75474%0.739SS**  trans-62.7122.2171.6-159.8-106000107.5S43 D47S43-D45 PolarHBondContact O-N 3.08Å; D45-D47 PolarHBondContact O-N 3.06Å
46S44.1Very low50.2Low108 Ų108129.4 Ų129.476%0.75574%0.742SS**  trans-83.184-167.1-63.40000109.6L44 P48L44-S46 PolarHBondContact O-N 3.36Å; S46-P48 WeakPolarHBondContact O-CD 3.48Å; S46-P48 VanDerWaalsContact O-N 3.11Å
47D44.9Very low50Low101 Ų101124.2 Ų124.254%0.5474%0.735SS.*  trans-51.4115.3-176.2-173.8-69.5000111.4D45 S49D45-D47 PolarHBondContact O-N 3.06Å; D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 WeakPolarHBondContact OD1-CA 3.5Å; D47-S49 WeakPolarHBondContact OD1-CB 3.27Å; D47-S49 PolarHBondContact OD1-N 3.05Å; D47-S49 PolarHBondContact OD1-OG 3.28Å
48P54.2Low49.5Very low110 Ų110123.9 Ų123.971%0.71474%0.736SS**G310 helixtrans-80.23.3-17232.1-35.5000113.6S46S46-P48 WeakPolarHBondContact O-CD 3.48Å; S46-P48 VanDerWaalsContact O-N 3.11Å
49S47.3Very low48.6Very low92 Ų92124.7 Ų124.764%0.64374%0.737SS**G310 helixtrans-80-16.1178.775.20000113.8D47 A51D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 WeakPolarHBondContact OD1-CA 3.5Å; D47-S49 WeakPolarHBondContact OD1-CB 3.27Å; D47-S49 PolarHBondContact OD1-N 3.05Å; D47-S49 PolarHBondContact OD1-OG 3.28Å; S49-A51 PolarHBondContact O-N 3.18Å
50L45Very low47.7Very low143 Ų143124.3 Ų124.375%0.74974%0.737SS**G310 helixtrans-85.917.2174.7-61.8-174.6000113.9V52L50-V52 PolarHBondContact O-N 3.26Å
51A39.6Very low46.8Very low79 Ų79124.9 Ų124.965%0.65373%0.734SS**  trans-73.955.7171.600000112.7S49 S53S49-A51 PolarHBondContact O-N 3.18Å; A51-S53 PolarHBondContact O-N 3.2Å
52V49Very low46.4Very low134 Ų134126.1 Ų126.181%0.81273%0.734SS**  trans-68.9115.9171.4-75.20000109.6L50L50-V52 PolarHBondContact O-N 3.26Å
53S49.8Very low45.7Very low105 Ų105123.2 Ų123.273%0.73473%0.733SS**  trans-61.2139.4-159.6-500000114.7A51 V55A51-S53 PolarHBondContact O-N 3.2Å; S53-V55 PolarHBondContact O-N 3.34Å
54D40.2Very low45.3Very low143 Ų143125.1 Ų125.177%0.76574%0.735SS**  trans-55.9125.3161.2-168.5-61.3000109.7V56D54-V56 PolarHBondContact OD1-N 2.93Å
55V49.3Very low45.1Very low130 Ų130123.1 Ų123.179%0.78873%0.731SS**  trans-136.272.2173.962.30000110.2S53 G57S53-V55 PolarHBondContact O-N 3.34Å; V55-G57 PolarHBondContact O-N 3.23Å
56V47.5Very low44.6Very low133 Ų133120.6 Ų120.681%0.80672%0.724SS**  trans-56.2105.2162.1170.30000109.3D54D54-V56 PolarHBondContact OD1-N 2.93Å
57G48.4Very low44.3Very low64 Ų64120.7 Ų120.766%0.6673%0.725SS**  trans-13544.2-166.400000114.5V55 F59V55-G57 PolarHBondContact O-N 3.23Å; G57-F59 PolarHBondContact O-N 2.85Å
58H45.8Very low44.1Very low182 Ų182121.2 Ų121.284%0.84374%0.736SS**  trans19.998.2146.1-177.777.4000118.2
59F40Very low43.5Very low177 Ų177125 Ų12578%0.77675%0.745SS**  trans-150.5106145.2-175.4-113000110.3G57 D61G57-F59 PolarHBondContact O-N 2.85Å; F59-D61 WeakPolarHBondContact CE1-O 3.26Å; F59-D61 WeakPolarHBondContact CZ-O 3.08Å
60D41Very low43Very low145 Ų145128.7 Ų128.778%0.77576%0.757SS**  trans-103.2171.6156.1-158.2-66.7000106.6
61D43.9Very low42.9Very low107 Ų107125.4 Ų125.457%0.57276%0.757SS**  trans98138176.2-152.2-154.6000118.8F59F59-D61 WeakPolarHBondContact CE1-O 3.26Å; F59-D61 WeakPolarHBondContact CZ-O 3.08Å
62L50.3Low43Very low143 Ų143126.8 Ų126.875%0.74976%0.762SS**  trans55.3112.3174.1-46.1-176.8000118.3
63A39.3Very low42.4Very low91 Ų91130 Ų13075%0.75277%0.766SS**  cis87.8128.148.800000115.3
64D36.5Very low41.8Very low147 Ų147129 Ų12979%0.78676%0.759SS**  trans-68.2141.8178.5-175.4-94.2000112.4S66D64-S66 PolarHBondContact OD1-N 3.33Å
65P44.5Very low42Very low110 Ų110126.6 Ų126.671%0.71476%0.759SS**  -140.5115.7125.634-19.5000114.4
66S36.1Very low41.8Very low88 Ų88128.6 Ų128.662%0.61576%0.76SS**  trans10.4133.4141.166.70000120.2D64D64-S66 PolarHBondContact OD1-N 3.33Å
67S37.4Very low41.7Very low111 Ų111133.8 Ų133.878%0.77677%0.766SS**  172.8130.8110.146.80000116.8
68S41Very low41.4Very low111 Ų111134.3 Ų134.378%0.77677%0.771SS**  trans61.3153.3130.6-52.40000124.7
69Q42.2Very low41.1Very low191 Ų191132 Ų13289%0.89377%0.77SS**  trans73.5111.7174.5-56.3-172.7-26.700113.9
70D37.3Very low41.5Very low169 Ų169133.1 Ų133.190%0.90478%0.777SS**  cis71.7126.249.7-151.7-41.3000112.7
71G42.2Very low41.5Very low73 Ų73131.9 Ų131.975%0.75378%0.776SS**  trans164.657.5-163.400000113.7
72S40.5Very low41.7Very low109 Ų109135.3 Ų135.376%0.76279%0.793SS**  trans-76.4133.4174.5-1710000112.2
73F36.9Very low41.6Very low201 Ų201134.4 Ų134.488%0.88279%0.789SS**  trans-142.1149.1161.9-164.8-104000111.4
74S37.8Very low42.1Very low85 Ų85137.6 Ų137.659%0.59479%0.79SS**  trans-131.8144-166.9-71.30000113.6
75A44.1Very low42.8Very low92 Ų92135.7 Ų135.776%0.7679%0.786SS**  trans-149.693.9157.100000108.2
76Q45.6Very low42.6Very low172 Ų172136.8 Ų136.880%0.80479%0.79SS**  76.369.376.8-71.1-166.1-3500115.7
77Y44.6Very low43.3Very low242 Ų242136 Ų13695%0.94980%0.796SS**  trans-147.6138.8143.7-67.4-76.6000107.3
78G41.4Very low43.8Very low74 Ų74139.5 Ų139.576%0.76380%0.802SS**  cis-154.7-176.6-7.600000110
79V40.1Very low44.3Very low134 Ų134141.3 Ų141.381%0.81281%0.809SS**  trans-114.8136.5-168.9-160.30000113.2
80Q48.4Very low44.2Very low200 Ų200141.2 Ų141.294%0.93581%0.808SS**  -160.7156.1129.1-108173.3117.400110.4
81T41.5Very low44.7Very low120 Ų120136.3 Ų136.374%0.73680%0.798SS**  trans-130.3146.8-156.7-176.20000113.1
82L48.9Very low45Very low179 Ų179140.4 Ų140.494%0.93780%0.801SS**  trans-150159.8148.2-87.7-171000109.7
83D46.4Very low45.7Very low123 Ų123144.2 Ų144.266%0.65881%0.809SS**  trans-134.1144.9-161.6166.7-100000111.6
84M50.2Low46.1Very low158 Ų158142.5 Ų142.578%0.77880%0.804SS**  trans-173.4151.2150.8-143.73747.700109.9
85P51.8Low46.6Very low107 Ų107147.7 Ų147.770%0.69582%0.819SS**  trans-106.8173.4-150.940.6-39.5000117.7
86V40.3Very low46.5Very low134 Ų134146.9 Ų146.981%0.81282%0.819SS**  trans-63.9132.8167.3168.90000111.9
87G51Low46.2Very low72 Ų72142.9 Ų142.974%0.74282%0.824SS**  trans-107140.616700000111.8
88M47.1Very low46.1Very low184 Ų184134.4 Ų134.491%0.90681%0.811SS**  trans-98.8135.5-174.3-58.1166.4-17600112.1
89T52Low46.3Very low149 Ų149139 Ų13991%0.91482%0.817SS**  trans-137.5123.8160.250.20000110.4
90H39.7Very low46.7Very low189 Ų189140.1 Ų140.188%0.87582%0.817SS**  trans-135.7128.4177.5174.9-83.5000109.4
91G48.3Very low46.3Very low66 Ų66136.7 Ų136.768%0.6882%0.816SS**  trans165.896.5-179.200000108.8
92L48.4Very low46.4Very low158 Ų158135 Ų13583%0.82782%0.822SS**  68.894.570-171.675.6000112.7
93M54.4Low45.8Very low189 Ų189130 Ų13093%0.93181%0.813SS**  trans-151.4149.7138.5-164152.9144.500109.8
94E46.7Very low45.7Very low165 Ų165132.6 Ų132.677%0.77183%0.826SS**  trans-129.4131.4-163.1177.2-162.2103.900111
95Q47.3Very low45.1Very low195 Ų195130.9 Ų130.991%0.91183%0.825SS**  trans176.4140.4156.1-103.7166.740.800109.2
96G42.4Very low45.2Very low74 Ų74134.7 Ų134.776%0.76384%0.835SS**  cis169.9115.9-10.700000112.9
97G40Very low45.1Very low88 Ų88135.3 Ų135.391%0.90783%0.834SS**  trans78.2150.1170.400000117
98G42.3Very low44.8Very low65 Ų65138.6 Ų138.667%0.6783%0.834SS**  cis161.7130.7-12.600000114.9
99L44.6Very low44.4Very low171 Ų171135 Ų13590%0.89582%0.819SS**  trans65.9164.9167.4-56.1169.6000115
100L49.4Very low43.9Very low157 Ų157136.7 Ų136.782%0.82282%0.816SS**  cis-137.1154.34.518.6155.3000111.4
101S39.6Very low44Very low128 Ų128132.3 Ų132.390%0.89581%0.806SS**  trans-85.6157177.5-48.80000112.9
102G43.8Very low43.7Very low85 Ų85137.8 Ų137.888%0.87682%0.818SS**  trans170.597.3167.200000113.6
103G35.2Very low43.2Very low72 Ų72133 Ų13374%0.74281%0.807SS**  trans-121.213716900000110.4
104L46.2Very low42.5Very low178 Ų178128.1 Ų128.193%0.93279%0.788SS**  trans-140.7141.7163.8-76.7-179.5000109.3
105T36.4Very low42.1Very low122 Ų122127.8 Ų127.875%0.74879%0.787SS**  trans-98.6142159.5175.40000107.8
106M53.8Low41.6Very low187 Ų187128.3 Ų128.392%0.92178%0.782SS**  trans-174.5160.7135.3-101.1163.9-166.400111.8
107D39Very low41.3Very low147 Ų147130.3 Ų130.379%0.78678%0.784SS**  trans-92.7176.7-158.4-177.3-136.5000114.5
108L44.4Very low41.5Very low142 Ų142130.4 Ų130.474%0.74378%0.776SS**  trans95.1103.3145.2-156.662.8000119.7
109D38.9Very low41.4Very low108 Ų108135 Ų13558%0.57879%0.786SS**  trans45.1135.4147-160.3-116000121.8
110H41.9Very low42.1Very low185 Ų185131.8 Ų131.886%0.85678%0.775SS**  -168.9127.8123.4-101.478.7000109.1
111S40.5Very low42.2Very low97 Ų97130.2 Ų130.268%0.67877%0.774SS**  trans-93.5128.5-168.1-73.20000115.5
112I42.7Very low42.9Very low180 Ų180130.6 Ų130.692%0.92377%0.77SS**  trans-179.3139.9150.6-99153.4000107.8
113G37.7Very low43.1Very low58 Ų58132.4 Ų132.460%0.59877%0.765SS**  cis166.3122.4-7.400000111.8
114T39.8Very low43.9Very low86 Ų86135.8 Ų135.853%0.52876%0.764SS.*  trans64.8105.3160.9-37.10000118.7A359T114-A359 HydrophobicContact CG2-CB 3.67Å
115Q39Very low43.9Very low159 Ų159133.5 Ų133.574%0.74375%0.753SS**  179.4116120.6-80.1-33.8-32.700110.4
116Y35.8Very low44.5Very low206 Ų206132.8 Ų132.881%0.80875%0.748SS**  trans-83133.7165.3-99.4-104.3000109.5
117S37Very low44.1Very low115 Ų115128.7 Ų128.780%0.80474%0.735SS**  trans-137.3136.5165.7-167.50000110.3
118A42.9Very low44.2Very low91 Ų91130.3 Ų130.375%0.75274%0.74SS**PPolyproline II helixtrans-83.6133.9-174.700000111.3P120A118-P120 WeakPolarHBondContact O-CD 3.18Å
119N41.9Very low44.4Very low162 Ų162129.2 Ų129.287%0.86674%0.74SS**PPolyproline II helixtrans-78.8118.5171-75.1-71.3000110
120P58.8Low44.3Very low103 Ų103130.8 Ų130.867%0.66975%0.748SS**PPolyproline II helixtrans-72.9155.4167.232.5-34.4000110.6A118A118-P120 WeakPolarHBondContact O-CD 3.18Å
121P51.3Low44.7Very low123 Ų123130.1 Ų130.180%0.79975%0.748SS**PPolyproline II helixtrans-66.3135.9175.628.2-34.2000111.1T123P121-T123 PolarHBondContact O-N 3.07Å; P121-T123 VanDerWaalsContact O-N 3.12Å
122V53.3Low44.6Very low136 Ų136131.6 Ų131.682%0.82475%0.753SS**  trans-70.4106.5178.3-178.80000109.7I124V122-I124 HydrophobicContact CG1-CG1 4.35Å
123T48.8Very low44.5Very low124 Ų124129.1 Ų129.176%0.76175%0.752SS**  trans-82128.9163.3-173.30000109.4P121 D125P121-T123 PolarHBondContact O-N 3.07Å; P121-T123 VanDerWaalsContact O-N 3.12Å; T123-D125 PolarHBondContact O-N 3.27Å
124I51.2Low44.6Very low142 Ų142129.8 Ų129.873%0.72876%0.758SS**  trans-93.892.1176.2-62.3173.8000107.1V122 V126V122-I124 HydrophobicContact CG1-CG1 4.35Å; I124-V126 HydrophobicContact CG2-CG2 3.95Å
125D46Very low45Very low131 Ų131132.8 Ų132.870%0.70177%0.77SS**  trans-81.6124168.9-166-92000109.2T123T123-D125 PolarHBondContact O-N 3.27Å
126V49.9Very low45.6Very low107 Ų107133.6 Ų133.665%0.64878%0.776SS**  trans-115.9103.3176.4179.40000108.1I124 M128I124-V126 HydrophobicContact CG2-CG2 3.95Å; V126-M128 PolarHBondContact O-N 2.86Å
127P45.5Very low45.8Very low100 Ų100127.6 Ų127.665%0.64978%0.777SS**  trans-75.4110.4-178.128.7-33.8000110.8
128M41.4Very low45.9Very low181 Ų181130.9 Ų130.989%0.89278%0.779SS**  trans-93.199.7166.1-89.5-70.9-175.200109.8V126V126-M128 PolarHBondContact O-N 2.86Å
129T47.2Very low45.9Very low120 Ų120131.6 Ų131.674%0.73678%0.779SS**  trans-89.2143.6177.5-0.30000112.5
130D37.3Very low45.9Very low140 Ų140132.3 Ų132.375%0.74978%0.777SS**  trans30.2103.6156.9-147.8-55.6000119.3
131M50.4Low44.7Very low171 Ų171135.1 Ų135.184%0.84279%0.786SS**  trans-160.185.5146.842.7-163.87300112.2
132T37.8Very low44.5Very low129 Ų129135.2 Ų135.279%0.79178%0.784SS**  trans-134.1105.2163.554.90000111.1
133S42.4Very low44Very low128 Ų128134.9 Ų134.990%0.89578%0.782SS**  trans-156.6112.5170.4-86.60000112.8
134G39.5Very low44.2Very low72 Ų72134.1 Ų134.174%0.74277%0.773SS**  trans86.6152.8168.500000116.4
135L47.5Very low44.1Very low149 Ų149132 Ų13278%0.7876%0.763SS**  cis-159.7137.5-10-117.7171.1000110
136M51.2Low44.4Very low176 Ų176133.4 Ų133.487%0.86777%0.765SS**  trans37118.5159.6-69.2169.9-174.300120.5
137G40Very low44.8Very low80 Ų80132 Ų13283%0.82576%0.76SS**  trans-172.176.1167.800000113.9
138H40.6Very low45.1Very low183 Ų183133.9 Ų133.985%0.84776%0.76SS**  trans-72139.3175.9-67.2-107.5000111.7
139S41.7Very low45.7Very low107 Ų107130.8 Ų130.875%0.74875%0.747SS**  175.5131.7120.3-84.10000115.6
140Q42.9Very low45.8Very low177 Ų177129.4 Ų129.483%0.82774%0.742SS**  trans64.9141.8152.3-55.4-63.25.900121
141L31.9Very low46.5Very low162 Ų162127 Ų12785%0.84874%0.736SS**  trans-87.1142.4171.2-53.1109.6000110.3
142T47.3Very low46.5Very low124 Ų124126.3 Ų126.376%0.76173%0.731SS**  trans-134154.2147.878.20000109.7
143T43.9Very low47Very low129 Ų129127.9 Ų127.979%0.79173%0.734SS**  trans-96.9121.6169.3165.20000107.7D145T143-D145 PolarHBondContact O-N 3.22Å; T143-D145 VanDerWaalsContact O-N 3.12Å
144I53.2Low46.9Very low109 Ų109124.7 Ų124.756%0.55972%0.72SS**  trans-72.3107.4171.9-79.460.8000107
145D49.3Very low47.4Very low98 Ų98128.7 Ų128.752%0.52472%0.724SS.*  trans-73.3145.6169.4-177.3-94.2000110.1T143 S147 E148T143-D145 PolarHBondContact O-N 3.22Å; T143-D145 VanDerWaalsContact O-N 3.12Å; D145-S147 PolarHBondContact O-N 3.01Å; D145-S147 WeakPolarHBondContact OD1-CB 3.34Å; D145-S147 PolarHBondContact OD1-N 3.16Å; D145-S147 PolarHBondContact OD1-OG 3.22Å; D145-E148 PolarHBondContact O-N 2.98Å
146Q52.3Low46.9Very low160 Ų160126.5 Ų126.575%0.74872%0.721SS**THydrogen-bonded Turntrans-66-10.2-176.3-66.6-165.1100.600114
147S57Low46.7Very low78 Ų78127.2 Ų127.255%0.54573%0.728SS.*THydrogen-bonded Turntrans-66.7-31.8173.3-53.20000113.2D145 L149 S150D145-S147 PolarHBondContact O-N 3.01Å; D145-S147 WeakPolarHBondContact OD1-CB 3.34Å; D145-S147 PolarHBondContact OD1-N 3.16Å; D145-S147 PolarHBondContact OD1-OG 3.22Å; S147-L149 PolarHBondContact O-N 3.16Å; S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.46Å; S147-S150 PolarHBondContact O-N 2.91Å
148E52.6Low46.7Very low138 Ų138126.8 Ų126.865%0.64572%0.723SS**Hα-helixtrans-71.2-36.3-171.3-157.1174.2117.600112.4D145 S150 S151D145-E148 PolarHBondContact O-N 2.98Å; E148-S150 PolarHBondContact O-N 2.56Å; E148-S150 VanDerWaalsContact O-N 3.16Å; E148-S151 PolarHBondContact O-N 2.91Å
149L53.4Low46.6Very low117 Ų117122 Ų12261%0.61372%0.724SS**Hα-helixtrans-59.2-23.1170.3-80.5162.9000113.2S147S147-L149 PolarHBondContact O-N 3.16Å
150S48.5Very low46.5Very low91 Ų91120.2 Ų120.264%0.63672%0.721SS**Hα-helixtrans-81.2-19.8176.5-57.60000112.9S147 E148S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.46Å; S147-S150 PolarHBondContact O-N 2.91Å; E148-S150 PolarHBondContact O-N 2.56Å; E148-S150 VanDerWaalsContact O-N 3.16Å
151S53.9Low46.2Very low89 Ų89118.5 Ų118.562%0.62272%0.723SS**Hα-helixtrans-85.5-32.6-178.5-59.20000113.4E148 L153 G154E148-S151 PolarHBondContact O-N 2.91Å; S151-L153 PolarHBondContact O-N 3.25Å; S151-G154 PolarHBondContact O-N 2.88Å; S151-G154 VanDerWaalsContact O-N 3.09Å
152Q49Very low46.8Very low157 Ų157119 Ų11973%0.73473%0.725SS**THydrogen-bonded Turntrans-69.9-17.4-176.7-158.2173.422.500113.8G154Q152-G154 VanDerWaalsContact C-N 3.32Å
153L49.5Very low46.8Very low162 Ų162120.7 Ų120.785%0.84873%0.729SS**THydrogen-bonded Turntrans-87.34.3173.6-62.8176.6000113.6S151 L155S151-L153 PolarHBondContact O-N 3.25Å; L153-L155 PolarHBondContact O-N 3.11Å
154G39.8Very low47.3Very low60 Ų60120 Ų12062%0.61973%0.726SS**  trans-89.118.6-176.800000116.1S151 Q152 S156S151-G154 PolarHBondContact O-N 2.88Å; S151-G154 VanDerWaalsContact O-N 3.09Å; Q152-G154 VanDerWaalsContact C-N 3.32Å; G154-S156 PolarHBondContact O-N 3.36Å; G154-S156 VanDerWaalsContact O-N 3.07Å
155L49.1Very low46.8Very low157 Ų157120.9 Ų120.982%0.82274%0.739SS**  trans-77.798.4-169.6-74.2177.6000114.6L153L153-L155 PolarHBondContact O-N 3.11Å
156S38.7Very low46.3Very low102 Ų102120.9 Ų120.971%0.71375%0.753SS**  trans58.183.9136.4-156.40000118G154 G158G154-S156 PolarHBondContact O-N 3.36Å; G154-S156 VanDerWaalsContact O-N 3.07Å; S156-G158 PolarHBondContact O-N 3.41Å
157L45.7Very low46.1Very low192 Ų192122.6 Ų122.6100%1.00576%0.761SS**  trans-78.159.8161.9-163.873.8000111G159L157-G159 PolarHBondContact O-N 3.16Å
158G40.6Very low45.4Very low71 Ų71124.2 Ų124.273%0.73277%0.772SS**  trans-86.798.8177.800000111.9S156S156-G158 PolarHBondContact O-N 3.41Å
159G38Very low45.2Very low83 Ų83122.5 Ų122.586%0.85677%0.773SS**  trans-160.580.2-178.200000113.4L157L157-G159 PolarHBondContact O-N 3.16Å
160G39.5Very low44.5Very low68 Ų68125.3 Ų125.370%0.70178%0.783SS**  trans-157.3113.1178.700000112.8
161T37.3Very low44.2Very low142 Ų142127.1 Ų127.187%0.87179%0.785SS**  trans49.8109.9163.558.90000119
162I44.7Very low43.7Very low172 Ų172132.3 Ų132.388%0.88279%0.791SS**  -159.5151127.9-100.4151.5000108.4
163L46.8Very low43.7Very low160 Ų160131.5 Ų131.584%0.83879%0.791SS**PPolyproline II helixtrans-92.7146.5-167.5-60.7159.4000112.8
164P54.3Low43.2Very low113 Ų113128.7 Ų128.773%0.73479%0.785SS**PPolyproline II helixtrans-80.8148.4148.833.9-30.4000110.5
165P43.5Very low43.5Very low129 Ų129132.3 Ų132.384%0.83880%0.796SS**PPolyproline II helixtrans-80.2159.1-174.632.8-36.2000113.7
166A37.7Very low43.2Very low97 Ų97130.9 Ų130.980%0.80279%0.793SS**PPolyproline II helixtrans-82.8139.5-177.700000113.8
167Q48.2Very low43.8Very low197 Ų197131 Ų13192%0.92179%0.792SS**  trans-134.7156.1151.9-70.2-167.2-2600109.1
168S42Very low43.4Very low111 Ų111127.2 Ų127.278%0.77678%0.781SS**  trans-169.3167.8-159.1-120.20000110
169P48.7Very low43.8Very low102 Ų102130.3 Ų130.366%0.66279%0.788SS**  cis-132.5-154.3-43.328.3-6.6000111.2
170E39.2Very low43.9Very low176 Ų176132.8 Ų132.882%0.82279%0.787SS**  trans93.9146.6154.5-44.3-155.910900120.5
171D41.6Very low44.1Very low130 Ų130134.6 Ų134.670%0.69579%0.789SS**  trans56141173.9-93-137.8000121.1
172R44.3Very low44.5Very low197 Ų197132.7 Ų132.774%0.74378%0.782SS**  cis-166.4162.5-26.5-128.3-179-148.3-135.9-8111.6
173L48.6Very low44.7Very low140 Ų140131.8 Ų131.873%0.73378%0.778SS**  trans63.4105.7154.4-63.6166.3000120.3
174S38.7Very low44.6Very low103 Ų103133 Ų13372%0.7278%0.779SS**  53.1137.4121.1-51.60000123.7
175T47.1Very low44.2Very low137 Ų137134.7 Ų134.784%0.8478%0.777SS**  trans110.2142.9147.8-35.60000116.6
176T42.9Very low44.4Very low126 Ų126136.6 Ų136.677%0.77378%0.78SS**  trans-116.6-175.8-170.145.20000110.7
177P50.7Low44.6Very low105 Ų105135.8 Ų135.868%0.68278%0.781SS**  cis-132175.1-39.933.5-16.5000114
178S37.5Very low45Very low112 Ų112133 Ų13378%0.78378%0.777SS**  trans66.3145.2154.9-57.90000119.9
179P48Very low45.6Very low136 Ų136135 Ų13588%0.88377%0.774SS**  -135.4174.7113.839.6-31.3000114.2
180T41.5Very low45.6Very low136 Ų136136 Ų13683%0.83477%0.774SS**  trans-101149.3178.8178.80000112.2
181S44Very low46.2Very low106 Ų106138.2 Ų138.274%0.74178%0.782SS**  trans-171.9158.8139.1-144.70000114.6
182S45.6Very low47Very low102 Ų102141.3 Ų141.371%0.71378%0.783SS**  trans59.592.1153.1-600000121.5
183L48.3Very low47.1Very low153 Ų153142.2 Ų142.280%0.80179%0.787SS**  45.499.8108.7-147.1179.4000117.8E185L183-E185 HydrophobicContact CD2-CG 4.29Å
184H45.2Very low47.1Very low184 Ų184144.4 Ų144.485%0.85279%0.793SS**  trans-143.2149.2143.4-166.4-130.5000109.4
185E44.6Very low47.5Very low149 Ų149147.5 Ų147.570%0.69680%0.801SS**  trans-94179.3-177.7-52.8-174.3115.400109.6L183L183-E185 HydrophobicContact CD2-CG 4.29Å
186D47.3Very low47.2Very low169 Ų169146.4 Ų146.490%0.90480%0.796SS**  trans5793.4-177.7-75.9-77.8000116.6
187G43.4Very low46.9Very low80 Ų80146.3 Ų146.383%0.82580%0.801SS**  trans-143.427.4-173.300000117.1
188V55.9Low47Very low139 Ų139150.3 Ų150.384%0.84281%0.81SS**  trans-88.4148.3172.1-64.90000111.7
189E55.3Low47.3Very low152 Ų152154 Ų15471%0.7181%0.812SS**SBendtrans92.711.3175.5-72.6-77.598.800121.6R192E189-R192 IonicContact OE1-NH1 2.64Å; E189-R192 PolarHBondContact OE1-NH1 2.94Å; E189-R192 IonicContact OE2-NH1 2.71Å; E189-R192 PolarHBondContact OE2-NH1 3.34Å
190D48.2Very low47.1Very low124 Ų124153.9 Ų153.966%0.66381%0.809SS**  trans-92.8-28.3172.2-159.3-110.8000116R192 R193D190-R192 PolarHBondContact O-N 3.25Å; D190-R193 PolarHBondContact O-N 2.96Å
191F51.1Low47.1Very low223 Ų223152.3 Ų152.398%0.97880%0.799SS**THydrogen-bonded Turntrans-67.215-168.6-117.4-84.7000117.2
192R59.9Low47.2Very low194 Ų194153.7 Ų153.773%0.73280%0.803SS**THydrogen-bonded Turntrans-103-7.6179.7-174169.2-77.5119.71.2114E189 D190E189-R192 IonicContact OE1-NH1 2.64Å; E189-R192 PolarHBondContact OE1-NH1 2.94Å; E189-R192 IonicContact OE2-NH1 2.71Å; E189-R192 PolarHBondContact OE2-NH1 3.34Å; D190-R192 PolarHBondContact O-N 3.25Å
193R45.9Very low47Very low217 Ų217154.5 Ų154.582%0.81980%0.803SS**  trans-10930.1-164.7-151.8178.7-70.3-91.41116.8D190D190-R193 PolarHBondContact O-N 2.96Å
194Q48Very low46.9Very low186 Ų186156 Ų15687%0.86981%0.806SS**  trans-135.677.3174.2-68.6-174.818.600114
195L46.4Very low46.8Very low167 Ų167151.7 Ų151.787%0.87480%0.802SS**  trans-154.4138149.6-154.964.8000110.8
196P41.6Very low46.6Very low114 Ų114148.2 Ų148.274%0.7481%0.807SS**  trans-74.5142.6-172.3-18.532.6000114.6Q198P196-Q198 PolarHBondContact O-N 3.48Å
197S36.5Very low46.2Very low125 Ų125149.1 Ų149.187%0.87480%0.803SS**  trans-75.7113.5164-71.70000110.8
198Q53.3Low46.2Very low189 Ų189154.9 Ų154.988%0.88381%0.805SS**  trans-120.3141.6153.5-70.2-155.31300110.3P196P196-Q198 PolarHBondContact O-N 3.48Å
199K43.7Very low45.8Very low189 Ų189156.7 Ų156.782%0.82280%0.804SS**  trans-122.596.3-164.9175.5-168.8172.1-174.40109.5
200T44.4Very low45.5Very low133 Ų133159.2 Ų159.282%0.81681%0.813SS**  trans-89.1128.5171.3-49.70000109.8
201V41.6Very low45.5Very low103 Ų103157.1 Ų157.162%0.62481%0.812SS**  trans-93.3128.2177.4174.90000109.3V203V201-V203 HydrophobicContact CG1-CG2 4.07Å
202V46.1Very low45.4Very low136 Ų136152.4 Ų152.482%0.82481%0.805SS**  trans-131.4128.9157.1-177.20000107.8
203V40.8Very low45Very low118 Ų118152.8 Ų152.872%0.71581%0.811SS**  trans-109.2134.1175.6173.30000107.6V201V201-V203 HydrophobicContact CG1-CG2 4.07Å
204E45.8Very low45.2Very low185 Ų185152 Ų15286%0.86481%0.814SS**  trans-169.2163145-106.5-73.834.100110.8
205A42.3Very low45.1Very low93 Ų93154.9 Ų154.977%0.76982%0.817SS**  trans-95.8146.7-163.800000115.1
206G41.3Very low45.3Very low77 Ų77156.5 Ų156.579%0.79482%0.817SS**  trans-148.247.5-176.600000114.4K208G206-K208 PolarHBondContact O-N 3Å
207K38.9Very low45.5Very low188 Ų188159.4 Ų159.482%0.81782%0.818SS**  trans-70.188.5-171-172.9-177.1177.6-1780113.4
208K43.9Very low46.5Very low200 Ų200158.3 Ų158.387%0.8780%0.797SS**  trans-121.2115.1160.7-88.2-170.4173.5-178.90111.8G206 K210G206-K208 PolarHBondContact O-N 3Å; K208-K210 PolarHBondContact O-N 3.04Å; K208-K210 VanDerWaalsContact O-N 3.17Å
209Q47.6Very low46.4Very low178 Ų178154 Ų15483%0.83278%0.78SS**  trans-69.5106177.3-70.4156.7-95.400110.3A211Q209-A211 PolarHBondContact O-N 3.42Å
210K48.2Very low47.6Very low205 Ų205151 Ų15189%0.89178%0.78SS**  trans-72.7116.8161.9-79.4-178.8174.5175.10107.9K208K208-K210 PolarHBondContact O-N 3.04Å; K208-K210 VanDerWaalsContact O-N 3.17Å
211A47.9Very low48.7Very low79 Ų79150 Ų15065%0.65377%0.77SS**  trans-53.6148.6177.800000111.2Q209 K213Q209-A211 PolarHBondContact O-N 3.42Å; A211-K213 PolarHBondContact O-N 3.31Å
212P50.5Low50.4Low125 Ų125147.7 Ų147.781%0.81275%0.752SS**  trans-6698-179.427.8-34.3000109.4K214P212-K214 PolarHBondContact O-N 3.41Å
213K50.1Low52.1Low201 Ų201142.1 Ų142.187%0.87472%0.719SS**  trans-55.1110.1167.1-75.5-166173.5-168.20106.6A211 R215A211-K213 PolarHBondContact O-N 3.31Å; K213-R215 PolarHBondContact O-N 3.47Å; K213-R215 VanDerWaalsContact O-N 3.08Å
214K49.6Very low54.3Low200 Ų200142.5 Ų142.587%0.8771%0.713SS**  trans-44.4122175.6-70.5-179.3178.2179.10106.9P212 K216P212-K214 PolarHBondContact O-N 3.41Å; K214-K216 VanDerWaalsContact C-N 3.34Å; K214-K216 PolarHBondContact O-N 2.88Å
215R47.1Very low56.4Low247 Ų247140.6 Ų140.693%0.93270%0.702SS**  trans-59.3103.9171.8-83.4-177.9158.8-165.5-7106.1K213 K217K213-R215 PolarHBondContact O-N 3.47Å; K213-R215 VanDerWaalsContact O-N 3.08Å; R215-K217 PolarHBondContact O-N 3.23Å
216K50.7Low58.8Low202 Ų202138.3 Ų138.388%0.87868%0.679SS**PPolyproline II helixtrans-46126.5155.8-77.5-169.9170.4-167.40104.7K214 K218K214-K216 VanDerWaalsContact C-N 3.34Å; K214-K216 PolarHBondContact O-N 2.88Å; K216-K218 PolarHBondContact O-N 2.97Å
217K44.4Very low61.3Low174 Ų174136.4 Ų136.476%0.75765%0.652SS**PPolyproline II helixtrans-53.7121.5175.6-130.6107.7170.6-165.40104.5R215 D219R215-K217 PolarHBondContact O-N 3.23Å; K217-D219 PolarHBondContact O-N 2.94Å; K217-D219 VanDerWaalsContact O-N 3.07Å
218K57.8Low64Low103 Ų103131.4 Ų131.445%0.44864%0.64SS.*PPolyproline II helixtrans-53120.3163.6160.256.859.9174.80103.8K216 E222K216-K218 PolarHBondContact O-N 2.97Å; K218-E222 HydrophobicContact CD-CB 4.12Å; K218-E222 HydrophobicContact CD-CG 4.3Å; K218-E222 WeakPolarHBondContact CD-OE2 3.41Å; K218-E222 IonicContact NZ-OE1 2.58Å; K218-E222 PolarHBondContact NZ-OE1 3.37Å; K218-E222 IonicContact NZ-OE2 3.5Å; K218-E222 PolarHBondContact NZ-OE2 3.26Å
219D52.4Low66.5Low98 Ų98122.3 Ų122.352%0.52460%0.603SS.*PPolyproline II helixtrans-48.9124.6-159.3-61.3-89.7000109.1K217 N221 E222K217-D219 PolarHBondContact O-N 2.94Å; K217-D219 VanDerWaalsContact O-N 3.07Å; D219-N221 PolarHBondContact O-N 3.37Å; D219-E222 HydrophobicContact CB-CB 4.33Å; D219-E222 PolarHBondContact O-N 2.89Å
220P69.2Low68.8Low125 Ų125117.6 Ų117.681%0.81258%0.578SS**THydrogen-bonded Turntrans-59.1-16.1-162.3-29.336.3000115.5
221N67.4Low71.1Confident114 Ų114109.6 Ų109.661%0.6155%0.55SS**THydrogen-bonded Turntrans-99.7-14.4176.8-155.332.8000113.9D219 P223 Y290D219-N221 PolarHBondContact O-N 3.37Å; N221-P223 WeakPolarHBondContact O-CD 3.43Å; N221-Y290 HydrophobicContact CB-CE2 4.15Å; N221-Y290 WeakPolarHBondContact O-CD2 3.37Å
222E76.2Confident73.3Confident53 Ų53107.7 Ų107.725%0.24853%0.529CS..SBendtrans-75.5121.6172.9-171.5-159.1134.600109.1K218 D219 Q224 Y290K218-E222 HydrophobicContact CD-CB 4.12Å; K218-E222 HydrophobicContact CD-CG 4.3Å; K218-E222 WeakPolarHBondContact CD-OE2 3.41Å; K218-E222 IonicContact NZ-OE1 2.58Å; K218-E222 PolarHBondContact NZ-OE1 3.37Å; K218-E222 IonicContact NZ-OE2 3.5Å; K218-E222 PolarHBondContact NZ-OE2 3.26Å; D219-E222 HydrophobicContact CB-CB 4.33Å; D219-E222 PolarHBondContact O-N 2.89Å; E222-Q224 PolarHBondContact O-N 2.88Å; E222-Y290 HydrophobicContact CB-CE1 4.43Å; E222-Y290 HydrophobicContact CG-CE1 4.29Å
223P82.9Confident75.5Confident20 Ų20102.2 Ų102.213%0.1349%0.492CS..PPolyproline II helixtrans-61.3135.3-179.125.2-34.4000111.3N221 Y283 A286 L287N221-P223 WeakPolarHBondContact O-CD 3.43Å; P223-Y283 HydrophobicContact CB-CD2 3.9Å; P223-Y283 HydrophobicContact CB-CE2 4.09Å; P223-Y283 HydrophobicContact CG-CD2 4.32Å; P223-Y283 HydrophobicContact CG-CE2 4.08Å; P223-Y283 VanDerWaalsContact O-CE2 3.29Å; P223-Y283 WeakPolarHBondContact O-CE2 3.22Å; P223-A286 HydrophobicContact CB-CB 3.7Å; P223-A286 HydrophobicContact CG-CB 4.21Å; P223-L287 HydrophobicContact CG-CB 4.18Å; P223-L287 HydrophobicContact CG-CD1 4.18Å
224Q85.4Confident77.7Confident126 Ų12694.1 Ų94.159%0.58946%0.457SS*.PPolyproline II helixtrans-79.3127.7-179.4-170.3170.4130.700110.9E222 Y283E222-Q224 PolarHBondContact O-N 2.88Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.35Å
225K91.4Very high79.8Confident144 Ų14491 Ų9163%0.62644%0.44SS*.PPolyproline II helixtrans-53.8131.8173.4-71-179.5179.8-175.10110.6Y283K225-Y283 HydrophobicContact CB-CE2 4.45Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.21Å; K225-Y283 HydrophobicContact CG-CE1 4.1Å; K225-Y283 HydrophobicContact CG-CE2 3.78Å; K225-Y283 WeakPolarHBondContact CG-OH 3.47Å
226P92.7Very high82Confident45 Ų4582.7 Ų82.729%0.29241%0.414SS..PPolyproline II helixtrans-65.3151.4-17631.2-39.9000111.1A279 K280P226-A279 HydrophobicContact CB-CB 4.02Å; P226-K280 HydrophobicContact CG-CB 4Å; P226-K280 HydrophobicContact CG-CG 4.38Å
227V93.3Very high84.1Confident37 Ų3773.8 Ų73.822%0.22438%0.377CS..PPolyproline II helixtrans-90.5145.4173-67.50000111.1A231 L232 T276V227-A231 HydrophobicContact CB-CB 4Å; V227-L232 HydrophobicContact CG2-CB 3.97Å; V227-L232 HydrophobicContact CG2-CD1 4.14Å; V227-T276 VanDerWaalsContact O-CG2 3.3Å; V227-T276 WeakPolarHBondContact O-CG2 3.44Å; V227-T276 PolarHBondContact O-OG1 3.47Å
228S95.7Very high86.5Confident83 Ų8368 Ų6858%0.5835%0.353SS*.PPolyproline II helixtrans-57.7155.4174.2179.30000111.9Y230 A231 L232 T276S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 3.32Å; S228-A231 CarbonylContact O-C 3.36Å; S228-A231 WeakPolarHBondContact O-CA 3.37Å; S228-A231 WeakPolarHBondContact O-CB 3.26Å; S228-A231 PolarHBondContact O-N 3.08Å; S228-L232 PolarHBondContact O-N 3.37Å; S228-T276 VanDerWaalsContact C-OG1 3.32Å
229A95.8Very high88.1Confident10 Ų1066.4 Ų66.48%0.08336%0.358CS..Hα-helixtrans-51.5-45.4-175.500000113.2A231 L232 F233 W261 K273 T276A229-A231 PolarHBondContact O-N 3.27Å; A229-L232 PolarHBondContact O-N 3.04Å; A229-F233 PolarHBondContact O-N 3.21Å; A229-W261 HydrophobicContact CB-CH2 4.05Å; A229-K273 HydrophobicContact CB-CG 4.2Å; A229-T276 VanDerWaalsContact CA-OG1 3.31Å; A229-T276 WeakPolarHBondContact CA-OG1 3.47Å; A229-T276 PolarHBondContact N-OG1 3.37Å; A229-T276 VanDerWaalsContact N-OG1 3.1Å
230Y96.7Very high90Very high78 Ų7864.4 Ų64.431%0.30636%0.355SS..Hα-helixtrans-64.3-38.3174.3175.2-118000112.5S228 L232 F233 F234 V257 W261S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 3.32Å; Y230-L232 VanDerWaalsContact C-N 3.35Å; Y230-F233 PolarHBondContact O-N 3.33Å; Y230-F234 HydrophobicContact CE1-CD2 4.42Å; Y230-F234 VanDerWaalsContact O-CB 3.23Å; Y230-F234 WeakPolarHBondContact O-CB 3.41Å; Y230-F234 PolarHBondContact O-N 2.91Å; Y230-V257 HydrophobicContact CE2-CG1 4.19Å; Y230-W261 HydrophobicContact CD2-CB 3.8Å; Y230-W261 AromaticContact CD2-CD1 3.7Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.27Å; Y230-W261 AromaticContact CD2-CG 3.41Å; Y230-W261 HydrophobicContact CD2-CG 3.41Å; Y230-W261 VanDerWaalsContact CD2-CG 3.41Å; Y230-W261 HydrophobicContact CE2-CB 3.69Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.8Å; Y230-W261 HydrophobicContact CE2-CG 3.8Å
231A95.7Very high91.2Very high38 Ų3858.8 Ų58.831%0.31432%0.318SS..Hα-helixtrans-75.6-22.417900000113.3V227 S228 A229 R235V227-A231 HydrophobicContact CB-CB 4Å; S228-A231 CarbonylContact O-C 3.36Å; S228-A231 WeakPolarHBondContact O-CA 3.37Å; S228-A231 WeakPolarHBondContact O-CB 3.26Å; S228-A231 PolarHBondContact O-N 3.08Å; A229-A231 PolarHBondContact O-N 3.27Å; A231-R235 WeakPolarHBondContact O-CG 3.34Å; A231-R235 PolarHBondContact O-N 3.16Å
232L94.2Very high92.4Very high39 Ų3959.1 Ų59.120%0.20431%0.314CS..Hα-helixtrans-71.2-54.7167.7-17459.1000109.9V227 S228 A229 Y230 F234 R235 D236 Y272 K275V227-L232 HydrophobicContact CG2-CB 3.97Å; V227-L232 HydrophobicContact CG2-CD1 4.14Å; S228-L232 PolarHBondContact O-N 3.37Å; A229-L232 PolarHBondContact O-N 3.04Å; Y230-L232 VanDerWaalsContact C-N 3.35Å; L232-F234 PolarHBondContact O-N 2.92Å; L232-R235 PolarHBondContact O-N 3.33Å; L232-D236 PolarHBondContact O-N 2.95Å; L232-Y272 HydrophobicContact CB-CD1 4.22Å; L232-Y272 HydrophobicContact CD2-CD1 4.03Å; L232-Y272 HydrophobicContact CG-CD1 4.01Å; L232-Y272 HydrophobicContact CG-CE1 4.22Å; L232-K275 HydrophobicContact CD2-CB 3.57Å; L232-K275 HydrophobicContact CD2-CD 4.07Å; L232-K275 HydrophobicContact CD2-CG 4.47Å
233F96.3Very high93.2Very high9 Ų959.7 Ų59.74%0.03933%0.334CS..Hα-helixtrans-54.8-37.3173.6175.7-100.9000112.7A229 Y230 R235 D236 T237 V257 M260 W261 L264 Y272A229-F233 PolarHBondContact O-N 3.21Å; Y230-F233 PolarHBondContact O-N 3.33Å; F233-R235 PolarHBondContact O-N 2.73Å; F233-D236 PolarHBondContact O-N 2.97Å; F233-T237 WeakPolarHBondContact CD2-OG1 3.49Å; F233-T237 HydrophobicContact CE1-CG2 4.29Å; F233-T237 HydrophobicContact CE2-CG2 4.44Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.22Å; F233-T237 HydrophobicContact CZ-CG2 3.93Å; F233-T237 VanDerWaalsContact CZ-OG1 3.22Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.44Å; F233-T237 WeakPolarHBondContact O-CB 3.38Å; F233-T237 PolarHBondContact O-N 3.43Å; F233-T237 PolarHBondContact O-OG1 2.97Å; F233-V257 HydrophobicContact CD1-CG1 4.07Å; F233-V257 HydrophobicContact CE1-CG1 3.98Å; F233-M260 HydrophobicContact CE1-CB 4.24Å; F233-M260 HydrophobicContact CZ-CB 3.93Å; F233-W261 HydrophobicContact CB-CE3 3.7Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.85Å; F233-W261 HydrophobicContact CD1-CD2 4.27Å; F233-W261 AromaticContact CD1-CE3 3.59Å; F233-W261 HydrophobicContact CD1-CE3 3.59Å; F233-W261 HydrophobicContact CD1-CG 4.42Å; F233-W261 HydrophobicContact CD1-CZ3 4.5Å; F233-W261 HydrophobicContact CD2-CE3 4.25Å; F233-W261 HydrophobicContact CE1-CB 3.67Å; F233-W261 HydrophobicContact CE1-CE3 4.27Å; F233-W261 AromaticContact CG-CE3 3.56Å; F233-W261 HydrophobicContact CG-CE3 3.56Å; F233-W261 HydrophobicContact CG-CZ3 4.06Å; F233-L264 HydrophobicContact CD2-CD1 3.92Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.21Å; F233-L264 HydrophobicContact CE2-CG 4.33Å; F233-L264 HydrophobicContact CG-CD1 4.48Å; F233-L264 HydrophobicContact CZ-CD1 4.12Å; F233-L264 HydrophobicContact CZ-CD2 4.38Å; F233-L264 HydrophobicContact CZ-CG 4.38Å; F233-Y272 HydrophobicContact CB-CD1 3.99Å; F233-Y272 HydrophobicContact CB-CD2 4.41Å; F233-Y272 HydrophobicContact CB-CE1 3.99Å; F233-Y272 HydrophobicContact CB-CE2 4.41Å; F233-Y272 HydrophobicContact CB-CG 4.22Å; F233-Y272 HydrophobicContact CD2-CD2 4.27Å; F233-Y272 HydrophobicContact CD2-CE1 4.38Å; F233-Y272 AromaticContact CD2-CE2 3.68Å; F233-Y272 HydrophobicContact CD2-CE2 3.68Å; F233-Y272 AromaticContact CD2-CZ 3.75Å
234F95.8Very high93.7Very high31 Ų3166 Ų6614%0.13636%0.362CS..Hα-helixtrans-62.5-40.9176.3-170.1-75.7000111.6Y230 L232 Q238 F250 V257Y230-F234 HydrophobicContact CE1-CD2 4.42Å; Y230-F234 VanDerWaalsContact O-CB 3.23Å; Y230-F234 WeakPolarHBondContact O-CB 3.41Å; Y230-F234 PolarHBondContact O-N 2.91Å; L232-F234 PolarHBondContact O-N 2.92Å; F234-Q238 HydrophobicContact CD1-CB 4.2Å; F234-Q238 HydrophobicContact CE1-CB 4.16Å; F234-Q238 HydrophobicContact CE1-CG 4.21Å; F234-Q238 WeakPolarHBondContact O-CA 3.32Å; F234-Q238 WeakPolarHBondContact O-CB 3.49Å; F234-Q238 PolarHBondContact O-N 3.49Å; F234-F250 AromaticContact CE1-CE2 3.96Å; F234-F250 HydrophobicContact CE1-CE2 3.96Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.88Å; F234-F250 HydrophobicContact CZ-CZ 3.88Å; F234-V257 HydrophobicContact CB-CG1 4.05Å; F234-V257 HydrophobicContact CD2-CB 4.05Å; F234-V257 HydrophobicContact CD2-CG1 3.45Å; F234-V257 VanDerWaalsContact CD2-CG1 3.45Å; F234-V257 HydrophobicContact CD2-CG2 4.47Å; F234-V257 HydrophobicContact CE2-CB 4.24Å; F234-V257 HydrophobicContact CE2-CG1 4.14Å; F234-V257 HydrophobicContact CG-CG1 3.96Å
235R93.9Very high93.9Very high134 Ų13463.1 Ų63.151%0.50635%0.351SS..Hα-helixtrans-65.7-48.2177.1-74.8178.6177.8-176.11111.5A231 L232 F233 T237 A239A231-R235 WeakPolarHBondContact O-CG 3.34Å; A231-R235 PolarHBondContact O-N 3.16Å; L232-R235 PolarHBondContact O-N 3.33Å; F233-R235 PolarHBondContact O-N 2.73Å; R235-T237 PolarHBondContact O-N 3.07Å; R235-A239 PolarHBondContact O-N 3.09Å
236D93.2Very high93.8Very high74 Ų7460.7 Ų60.740%0.39635%0.35SS..Hα-helixtrans-59.3-49.2179.5-63.80.8000110.7L232 F233 Y272L232-D236 PolarHBondContact O-N 2.95Å; F233-D236 PolarHBondContact O-N 2.97Å; D236-Y272 WeakPolarHBondContact OD2-CE1 3.43Å; D236-Y272 PolarHBondContact OD2-OH 3.5Å
237T94.9Very high93.8Very high14 Ų1466.2 Ų66.29%0.08638%0.377CS..Hα-helixtrans-82.8-33.5-170.5-47.80000112.9F233 R235 A239 A240 I241 V257 M260F233-T237 WeakPolarHBondContact CD2-OG1 3.49Å; F233-T237 HydrophobicContact CE1-CG2 4.29Å; F233-T237 HydrophobicContact CE2-CG2 4.44Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.22Å; F233-T237 HydrophobicContact CZ-CG2 3.93Å; F233-T237 VanDerWaalsContact CZ-OG1 3.22Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.44Å; F233-T237 WeakPolarHBondContact O-CB 3.38Å; F233-T237 PolarHBondContact O-N 3.43Å; F233-T237 PolarHBondContact O-OG1 2.97Å; R235-T237 PolarHBondContact O-N 3.07Å; T237-A239 PolarHBondContact O-N 3.26Å; T237-A240 PolarHBondContact O-N 3.01Å; T237-I241 HydrophobicContact CG2-CD1 3.74Å; T237-I241 HydrophobicContact CG2-CG1 4.28Å; T237-I241 WeakPolarHBondContact O-CG1 2.91Å; T237-I241 PolarHBondContact O-N 3.38Å; T237-V257 HydrophobicContact CG2-CG2 4.25Å; T237-M260 HydrophobicContact CG2-CE 3.67Å; T237-M260 HydrophobicContact CG2-SD 3.66Å
238Q94.6Very high93.6Very high54 Ų5465.8 Ų65.825%0.25238%0.377SS..Hα-helixtrans-59.1-38.7173.5-176.6-164.93.900111.1F234 K242 V253 V257F234-Q238 HydrophobicContact CD1-CB 4.2Å; F234-Q238 HydrophobicContact CE1-CB 4.16Å; F234-Q238 HydrophobicContact CE1-CG 4.21Å; F234-Q238 WeakPolarHBondContact O-CA 3.32Å; F234-Q238 WeakPolarHBondContact O-CB 3.49Å; F234-Q238 PolarHBondContact O-N 3.49Å; Q238-K242 WeakPolarHBondContact O-CB 3.38Å; Q238-K242 PolarHBondContact O-N 2.72Å; Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.74Å; Q238-V257 HydrophobicContact CB-CG2 4.49Å
239A91.5Very high93.6Very high69 Ų6965.6 Ų65.657%0.5737%0.373SS*.Hα-helixtrans-62.6-47.3178.100000111.5R235 T237 G243R235-A239 PolarHBondContact O-N 3.09Å; T237-A239 PolarHBondContact O-N 3.26Å; A239-G243 PolarHBondContact O-N 3.47Å
240A93.6Very high93.4Very high56 Ų5671.4 Ų71.446%0.46340%0.396SS..Hα-helixtrans-62.3-51.9177.600000112.5T237 K242 G243 Q244T237-A240 PolarHBondContact O-N 3.01Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 3.48Å; A240-G243 PolarHBondContact O-N 3.07Å; A240-G243 VanDerWaalsContact O-N 3.17Å; A240-Q244 PolarHBondContact O-N 3.43Å
241I93.8Very high93.4Very high6 Ų669.6 Ų69.63%0.03140%0.401CS..Hα-helixtrans-62.2-41.1-178.9-63.4159.2000110.9T237 G243 Q244 N245 V253 I256 V257 M260T237-I241 HydrophobicContact CG2-CD1 3.74Å; T237-I241 HydrophobicContact CG2-CG1 4.28Å; T237-I241 WeakPolarHBondContact O-CG1 2.91Å; T237-I241 PolarHBondContact O-N 3.38Å; I241-G243 VanDerWaalsContact C-N 3.34Å; I241-Q244 PolarHBondContact O-N 3.06Å; I241-N245 WeakPolarHBondContact O-CB 2.99Å; I241-N245 PolarHBondContact O-N 2.91Å; I241-N245 PolarHBondContact O-ND2 2.83Å; I241-N245 VanDerWaalsContact O-ND2 3.09Å; I241-V253 HydrophobicContact CB-CG1 4.04Å; I241-V253 HydrophobicContact CD1-CG1 4.44Å; I241-V253 HydrophobicContact CG2-CB 4.37Å; I241-V253 HydrophobicContact CG2-CG1 3.92Å; I241-V253 HydrophobicContact CG2-CG2 4.09Å; I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.55Å; I241-I256 HydrophobicContact CG1-CG2 4.09Å; I241-I256 HydrophobicContact CG2-CD1 3.99Å; I241-I256 HydrophobicContact CG2-CG2 4.38Å; I241-V257 HydrophobicContact CD1-CG2 3.5Å; I241-M260 HydrophobicContact CD1-SD 3.95Å; I241-M260 HydrophobicContact CG1-SD 4.35Å
242K92.3Very high93.4Very high121 Ų12172.1 Ų72.153%0.52641%0.406SS..Hα-helixtrans-71-29178.6-169.2-179.3178.2-169.30112.6Q238 A240 N245 P246Q238-K242 WeakPolarHBondContact O-CB 3.38Å; Q238-K242 PolarHBondContact O-N 2.72Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 3.48Å; K242-N245 CarbonylContact O-C 3.59Å; K242-P246 WeakPolarHBondContact O-CA 3.43Å
243G92.6Very high93.4Very high65 Ų6570.4 Ų70.467%0.6740%0.397SS*.Hα-helixtrans-66.2-42170.800000112.4A239 A240 I241A239-G243 PolarHBondContact O-N 3.47Å; A240-G243 PolarHBondContact O-N 3.07Å; A240-G243 VanDerWaalsContact O-N 3.17Å; I241-G243 VanDerWaalsContact C-N 3.34Å
244Q93.4Very high93.4Very high153 Ų15371.8 Ų71.872%0.71541%0.408SS*.Hα-helixtrans-73-34.8175.5-69.4175.5-20.800112.9A240 I241 P246A240-Q244 PolarHBondContact O-N 3.43Å; I241-Q244 PolarHBondContact O-N 3.06Å; Q244-P246 VanDerWaalsContact C-CD 3.49Å; Q244-P246 WeakPolarHBondContact O-CD 3.44Å
245N89.6Confident93.4Very high66 Ų6677.7 Ų77.735%0.35343%0.434SS..  trans-124.869.4-174.2-55.9-89.6000110.5I241 K242 N247 A248I241-N245 WeakPolarHBondContact O-CB 2.99Å; I241-N245 PolarHBondContact O-N 2.91Å; I241-N245 PolarHBondContact O-ND2 2.83Å; I241-N245 VanDerWaalsContact O-ND2 3.09Å; K242-N245 CarbonylContact O-C 3.59Å; N245-N247 PolarHBondContact O-N 2.86Å; N245-N247 VanDerWaalsContact O-N 3.15Å; N245-A248 HydrophobicContact CB-CB 3.72Å; N245-A248 WeakPolarHBondContact O-CB 3.47Å; N245-A248 PolarHBondContact O-N 3.24Å
246P91.3Very high93.5Very high93 Ų9374.6 Ų74.660%0.60443%0.427SS*.THydrogen-bonded Turntrans-63.1-23.1-17725.5-35.2000113.4K242 Q244K242-P246 WeakPolarHBondContact O-CA 3.43Å; Q244-P246 VanDerWaalsContact C-CD 3.49Å; Q244-P246 WeakPolarHBondContact O-CD 3.44Å
247N92.3Very high93.6Very high161 Ų16171 Ų7186%0.86141%0.408SS*.THydrogen-bonded Turntrans-84.6-13.6176.8-63.8-23.4000113.7N245N245-N247 PolarHBondContact O-N 2.86Å; N245-N247 VanDerWaalsContact O-N 3.15Å
248A89.3Confident93.7Very high27 Ų2771.8 Ų71.822%0.22342%0.415CS..SBendtrans-71.3135.1-177.800000111.3N245 E252 V253N245-A248 HydrophobicContact CB-CB 3.72Å; N245-A248 WeakPolarHBondContact O-CB 3.47Å; N245-A248 PolarHBondContact O-N 3.24Å; A248-E252 HydrophobicContact CB-CB 4.44Å; A248-V253 HydrophobicContact CB-CG2 3.91Å
249T94.2Very high93.8Very high80 Ų8072.8 Ų72.849%0.49143%0.428SS..  trans-68.2156.2175.570.20000110.7G251 E252 V253T249-G251 PolarHBondContact O-N 3.39Å; T249-G251 VanDerWaalsContact O-N 3.09Å; T249-E252 WeakPolarHBondContact CA-OE2 3.4Å; T249-E252 WeakPolarHBondContact CB-OE2 3.39Å; T249-E252 VanDerWaalsContact CG2-OE2 3.3Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.4Å; T249-E252 PolarHBondContact N-OE2 3.18Å; T249-E252 PolarHBondContact O-N 2.81Å; T249-E252 PolarHBondContact OG1-N 3.46Å; T249-E252 PolarHBondContact OG1-OE2 3.22Å; T249-V253 WeakPolarHBondContact O-CG2 3.31Å; T249-V253 PolarHBondContact O-N 2.95Å
250F92.8Very high93.9Very high132 Ų13273.4 Ų73.458%0.57942%0.42SS*.Hα-helixtrans-55.1-29.8174.1178.4-101.6000112.9F234 S254F234-F250 AromaticContact CE1-CE2 3.96Å; F234-F250 HydrophobicContact CE1-CE2 3.96Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.88Å; F234-F250 HydrophobicContact CZ-CZ 3.88Å; F250-S254 WeakPolarHBondContact O-CB 3.42Å; F250-S254 PolarHBondContact O-N 3.45Å
251G95.5Very high94.1Very high39 Ų3972.6 Ų72.640%0.40241%0.405SS..Hα-helixtrans-69.3-37.5176.100000113.5T249 K255T249-G251 PolarHBondContact O-N 3.39Å; T249-G251 VanDerWaalsContact O-N 3.09Å; G251-K255 WeakPolarHBondContact O-CG 3.38Å; G251-K255 PolarHBondContact O-N 3.15Å
252E95.7Very high94.2Very high91 Ų9177.8 Ų77.843%0.42543%0.433SS..Hα-helixtrans-72.6-47.2175.6-70.1150.6138.900111A248 T249 S254 K255 I256A248-E252 HydrophobicContact CB-CB 4.44Å; T249-E252 WeakPolarHBondContact CA-OE2 3.4Å; T249-E252 WeakPolarHBondContact CB-OE2 3.39Å; T249-E252 VanDerWaalsContact CG2-OE2 3.3Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.4Å; T249-E252 PolarHBondContact N-OE2 3.18Å; T249-E252 PolarHBondContact O-N 2.81Å; T249-E252 PolarHBondContact OG1-N 3.46Å; T249-E252 PolarHBondContact OG1-OE2 3.22Å; E252-S254 VanDerWaalsContact C-N 3.26Å; E252-S254 PolarHBondContact O-N 2.88Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 3.47Å; E252-K255 VanDerWaalsContact O-N 3.1Å; E252-I256 WeakPolarHBondContact O-CG1 3.44Å; E252-I256 PolarHBondContact O-N 2.88Å
253V95.8Very high94.4Very high3 Ų376.6 Ų76.62%0.01844%0.44CS..Hα-helixtrans-56.8-42.3175.5-179.30000111Q238 I241 A248 T249 K255 I256 V257Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.74Å; I241-V253 HydrophobicContact CB-CG1 4.04Å; I241-V253 HydrophobicContact CD1-CG1 4.44Å; I241-V253 HydrophobicContact CG2-CB 4.37Å; I241-V253 HydrophobicContact CG2-CG1 3.92Å; I241-V253 HydrophobicContact CG2-CG2 4.09Å; A248-V253 HydrophobicContact CB-CG2 3.91Å; T249-V253 WeakPolarHBondContact O-CG2 3.31Å; T249-V253 PolarHBondContact O-N 2.95Å; V253-K255 PolarHBondContact O-N 3.07Å; V253-I256 PolarHBondContact O-N 3.44Å; V253-V257 HydrophobicContact CG1-CG2 4.38Å; V253-V257 WeakPolarHBondContact O-CG2 3.38Å; V253-V257 PolarHBondContact O-N 3.32Å
254S95.5Very high94.5Very high38 Ų3874.8 Ų74.827%0.26642%0.415SS..Hα-helixtrans-61.3-40.5176.9-173.40000113.2F250 E252 A258F250-S254 WeakPolarHBondContact O-CB 3.42Å; F250-S254 PolarHBondContact O-N 3.45Å; E252-S254 VanDerWaalsContact C-N 3.26Å; E252-S254 PolarHBondContact O-N 2.88Å; S254-A258 PolarHBondContact O-N 3.05Å
255K96.2Very high94.6Very high155 Ų15569.5 Ų69.567%0.67440%0.401SS*.Hα-helixtrans-64.1-42.4174.6-70.4169.3-177.3178.70112G251 E252 V253 A258 S259G251-K255 WeakPolarHBondContact O-CG 3.38Å; G251-K255 PolarHBondContact O-N 3.15Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 3.47Å; E252-K255 VanDerWaalsContact O-N 3.1Å; V253-K255 PolarHBondContact O-N 3.07Å; K255-A258 PolarHBondContact O-N 3.14Å; K255-S259 PolarHBondContact O-N 3.02Å
256I95.1Very high94.9Very high69 Ų6970.8 Ų70.835%0.35441%0.405SS..Hα-helixtrans-65.5-44.9179.5-60.9163.2000109.8I241 E252 V253 A258 S259 M260I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.55Å; I241-I256 HydrophobicContact CG1-CG2 4.09Å; I241-I256 HydrophobicContact CG2-CD1 3.99Å; I241-I256 HydrophobicContact CG2-CG2 4.38Å; E252-I256 WeakPolarHBondContact O-CG1 3.44Å; E252-I256 PolarHBondContact O-N 2.88Å; V253-I256 PolarHBondContact O-N 3.44Å; I256-A258 PolarHBondContact O-N 3.06Å; I256-S259 PolarHBondContact O-N 2.83Å; I256-M260 HydrophobicContact CG2-CG 4.41Å; I256-M260 HydrophobicContact CG2-SD 4.11Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 WeakPolarHBondContact O-CG 3.47Å; I256-M260 PolarHBondContact O-N 3.05Å
257V96.5Very high95Very high0 Ų073.8 Ų73.80%041%0.411CS..Hα-helixtrans-59.2-43.3174.7173.70000112Y230 F233 F234 T237 Q238 I241 V253 M260 W261Y230-V257 HydrophobicContact CE2-CG1 4.19Å; F233-V257 HydrophobicContact CD1-CG1 4.07Å; F233-V257 HydrophobicContact CE1-CG1 3.98Å; F234-V257 HydrophobicContact CB-CG1 4.05Å; F234-V257 HydrophobicContact CD2-CB 4.05Å; F234-V257 HydrophobicContact CD2-CG1 3.45Å; F234-V257 VanDerWaalsContact CD2-CG1 3.45Å; F234-V257 HydrophobicContact CD2-CG2 4.47Å; F234-V257 HydrophobicContact CE2-CB 4.24Å; F234-V257 HydrophobicContact CE2-CG1 4.14Å; F234-V257 HydrophobicContact CG-CG1 3.96Å; T237-V257 HydrophobicContact CG2-CG2 4.25Å; Q238-V257 HydrophobicContact CB-CG2 4.49Å; I241-V257 HydrophobicContact CD1-CG2 3.5Å; V253-V257 HydrophobicContact CG1-CG2 4.38Å; V253-V257 WeakPolarHBondContact O-CG2 3.38Å; V253-V257 PolarHBondContact O-N 3.32Å; V257-M260 PolarHBondContact O-N 3.5Å; V257-W261 WeakPolarHBondContact O-CB 3.4Å; V257-W261 PolarHBondContact O-N 3.04Å
258A96.2Very high95.2Very high30 Ų3071 Ų7125%0.24839%0.393CS..Hα-helixtrans-60.5-50.717700000111.4S254 K255 I256 M260 W261 D262S254-A258 PolarHBondContact O-N 3.05Å; K255-A258 PolarHBondContact O-N 3.14Å; I256-A258 PolarHBondContact O-N 3.06Å; A258-M260 VanDerWaalsContact C-N 3.33Å; A258-M260 PolarHBondContact O-N 3.47Å; A258-W261 PolarHBondContact O-N 3.36Å; A258-W261 VanDerWaalsContact O-N 3.13Å; A258-D262 PolarHBondContact O-N 2.85Å
259S96.3Very high95.4Very high74 Ų7471.4 Ų71.452%0.51739%0.39SS..Hα-helixtrans-57.2-43.3176.6-174.70000112.7K255 I256 S263K255-S259 PolarHBondContact O-N 3.02Å; I256-S259 PolarHBondContact O-N 2.83Å; S259-S263 VanDerWaalsContact O-CB 3.3Å; S259-S263 WeakPolarHBondContact O-CB 3.4Å; S259-S263 PolarHBondContact O-N 3.48Å; S259-S263 PolarHBondContact O-OG 3.17Å
260M95.1Very high95.5Very high82 Ų8271 Ų7140%0.40438%0.383SS..Hα-helixtrans-64.7-41.7175.4-71.8-17968.200112.3F233 T237 I241 I256 V257 A258 S263 L264F233-M260 HydrophobicContact CE1-CB 4.24Å; F233-M260 HydrophobicContact CZ-CB 3.93Å; T237-M260 HydrophobicContact CG2-CE 3.67Å; T237-M260 HydrophobicContact CG2-SD 3.66Å; I241-M260 HydrophobicContact CD1-SD 3.95Å; I241-M260 HydrophobicContact CG1-SD 4.35Å; I256-M260 HydrophobicContact CG2-CG 4.41Å; I256-M260 HydrophobicContact CG2-SD 4.11Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 WeakPolarHBondContact O-CG 3.47Å; I256-M260 PolarHBondContact O-N 3.05Å; V257-M260 PolarHBondContact O-N 3.5Å; A258-M260 VanDerWaalsContact C-N 3.33Å; A258-M260 PolarHBondContact O-N 3.47Å; M260-S263 PolarHBondContact O-N 3.47Å; M260-L264 WeakPolarHBondContact O-CG 3.2Å; M260-L264 PolarHBondContact O-N 3.33Å; M260-L264 VanDerWaalsContact O-N 3.11Å
261W96.8Very high95.7Very high39 Ų3967.6 Ų67.615%0.14837%0.372CS..Hα-helixtrans-62.3-48.4176.8174.1-101.2000111.5A229 Y230 F233 V257 A258 S263 L264 K269 Y272A229-W261 HydrophobicContact CB-CH2 4.05Å; Y230-W261 HydrophobicContact CD2-CB 3.8Å; Y230-W261 AromaticContact CD2-CD1 3.7Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.27Å; Y230-W261 AromaticContact CD2-CG 3.41Å; Y230-W261 HydrophobicContact CD2-CG 3.41Å; Y230-W261 VanDerWaalsContact CD2-CG 3.41Å; Y230-W261 HydrophobicContact CE2-CB 3.69Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.8Å; Y230-W261 HydrophobicContact CE2-CG 3.8Å; F233-W261 HydrophobicContact CB-CE3 3.7Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.85Å; F233-W261 HydrophobicContact CD1-CD2 4.27Å; F233-W261 AromaticContact CD1-CE3 3.59Å; F233-W261 HydrophobicContact CD1-CE3 3.59Å; F233-W261 HydrophobicContact CD1-CG 4.42Å; F233-W261 HydrophobicContact CD1-CZ3 4.5Å; F233-W261 HydrophobicContact CD2-CE3 4.25Å; F233-W261 HydrophobicContact CE1-CB 3.67Å; F233-W261 HydrophobicContact CE1-CE3 4.27Å; F233-W261 AromaticContact CG-CE3 3.56Å; F233-W261 HydrophobicContact CG-CE3 3.56Å; F233-W261 HydrophobicContact CG-CZ3 4.06Å; V257-W261 WeakPolarHBondContact O-CB 3.4Å; V257-W261 PolarHBondContact O-N 3.04Å; A258-W261 PolarHBondContact O-N 3.36Å; A258-W261 VanDerWaalsContact O-N 3.13Å; W261-S263 PolarHBondContact O-N 3.1Å; W261-L264 HydrophobicContact CE3-CD1 3.68Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.34Å; W261-L264 PolarHBondContact O-N 2.83Å; W261-L264 VanDerWaalsContact O-N 3.1Å; W261-K269 HydrophobicContact CH2-CB 4.18Å; W261-K269 HydrophobicContact CH2-CG 4Å; W261-K269 HydrophobicContact CZ2-CB 4.39Å; W261-K269 HydrophobicContact CZ2-CG 4Å; W261-K269 HydrophobicContact CZ3-CG 4.3Å; W261-K269 WeakPolarHBondContact O-CE 3.42Å; W261-K269 PolarHBondContact O-NZ 3.18Å; W261-Y272 HydrophobicContact CZ3-CD2 4.2Å; W261-Y272 HydrophobicContact CZ3-CG 4.18Å
262D96.5Very high95.7Very high116 Ų11667.4 Ų67.462%0.6236%0.359SS*.Hα-helixtrans-61.7-35.8178.8-70.3-38.7000111.1A258 L264 K269A258-D262 PolarHBondContact O-N 2.85Å; D262-L264 PolarHBondContact O-N 2.86Å; D262-K269 PolarHBondContact O-NZ 2.84Å
263S95.9Very high95.8Very high95 Ų9567.4 Ų67.466%0.66436%0.358SS*.Hα-helixtrans-71.8-15.4175.1-56.30000115.6S259 M260 W261S259-S263 VanDerWaalsContact O-CB 3.3Å; S259-S263 WeakPolarHBondContact O-CB 3.4Å; S259-S263 PolarHBondContact O-N 3.48Å; S259-S263 PolarHBondContact O-OG 3.17Å; M260-S263 PolarHBondContact O-N 3.47Å; W261-S263 PolarHBondContact O-N 3.1Å
264L95.1Very high95.8Very high28 Ų2874.2 Ų74.215%0.14738%0.384CS..SBendtrans-65.6140.3176.5-62.2-174.1000111.1F233 M260 W261 D262 Q268 K269 Y272F233-L264 HydrophobicContact CD2-CD1 3.92Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.21Å; F233-L264 HydrophobicContact CE2-CG 4.33Å; F233-L264 HydrophobicContact CG-CD1 4.48Å; F233-L264 HydrophobicContact CZ-CD1 4.12Å; F233-L264 HydrophobicContact CZ-CD2 4.38Å; F233-L264 HydrophobicContact CZ-CG 4.38Å; M260-L264 WeakPolarHBondContact O-CG 3.2Å; M260-L264 PolarHBondContact O-N 3.33Å; M260-L264 VanDerWaalsContact O-N 3.11Å; W261-L264 HydrophobicContact CE3-CD1 3.68Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.34Å; W261-L264 PolarHBondContact O-N 2.83Å; W261-L264 VanDerWaalsContact O-N 3.1Å; D262-L264 PolarHBondContact O-N 2.86Å; L264-Q268 HydrophobicContact CB-CB 4.19Å; L264-Q268 HydrophobicContact CD1-CB 4.34Å; L264-K269 HydrophobicContact CB-CG 4.02Å; L264-K269 VanDerWaalsContact O-CE 3.29Å; L264-K269 WeakPolarHBondContact O-CE 3.21Å; L264-K269 PolarHBondContact O-NZ 2.96Å; L264-Y272 HydrophobicContact CD1-CD2 4.49Å
265G95.4Very high95.8Very high42 Ų4277.1 Ų77.143%0.43339%0.391SS..  trans-62.8153.6168.300000111.8E267 Q268 K269G265-E267 PolarHBondContact O-N 3.41Å; G265-Q268 PolarHBondContact O-N 3.17Å; G265-K269 PolarHBondContact O-N 3.22Å
266E94.6Very high95.8Very high93 Ų9371 Ų7144%0.43537%0.367SS..Hα-helixtrans-61.1-29.3-178.3-177.754.5-156.500112.3Q268 K269 Q270 K273E266-Q268 PolarHBondContact O-N 3.36Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.09Å; E266-K269 WeakPolarHBondContact OE2-CD 3.3Å; E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 VanDerWaalsContact O-CB 3.31Å; E266-Q270 WeakPolarHBondContact O-CB 3.16Å; E266-Q270 WeakPolarHBondContact O-CG 3.26Å; E266-Q270 PolarHBondContact O-N 3.31Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.34Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å; E266-K273 IonicContact OE1-NZ 3.06Å; E266-K273 PolarHBondContact OE1-NZ 2.87Å; E266-K273 IonicContact OE2-NZ 2.59Å
267E95.2Very high95.8Very high156 Ų15674.2 Ų74.273%0.72938%0.381SS*.Hα-helixtrans-59.3-45.1171.8-174.2-179.985.400112.7G265 Q270 V271G265-E267 PolarHBondContact O-N 3.41Å; E267-Q270 CarbonylContact O-C 3.47Å; E267-Q270 WeakPolarHBondContact O-CB 3.42Å; E267-Q270 PolarHBondContact O-N 2.96Å; E267-V271 PolarHBondContact O-N 3.44Å
268Q94.9Very high95.8Very high103 Ų10377.1 Ų77.148%0.48140%0.404SS..Hα-helixtrans-68.6-40177.2-69.7175.7-32.300111.1L264 G265 E266 Q270 V271 Y272L264-Q268 HydrophobicContact CB-CB 4.19Å; L264-Q268 HydrophobicContact CD1-CB 4.34Å; G265-Q268 PolarHBondContact O-N 3.17Å; E266-Q268 PolarHBondContact O-N 3.36Å; Q268-Q270 VanDerWaalsContact C-N 3.27Å; Q268-Q270 PolarHBondContact O-N 3.45Å; Q268-V271 PolarHBondContact O-N 3.22Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.43Å; Q268-Y272 PolarHBondContact O-N 3.16Å; Q268-Y272 VanDerWaalsContact O-N 3.15Å
269K95.2Very high95.8Very high34 Ų3477.4 Ų77.415%0.14841%0.407CS..Hα-helixtrans-59.3-39.1170.9-70.2167170.1143.80111.2W261 D262 L264 G265 E266 Y272 K273W261-K269 HydrophobicContact CH2-CB 4.18Å; W261-K269 HydrophobicContact CH2-CG 4Å; W261-K269 HydrophobicContact CZ2-CB 4.39Å; W261-K269 HydrophobicContact CZ2-CG 4Å; W261-K269 HydrophobicContact CZ3-CG 4.3Å; W261-K269 WeakPolarHBondContact O-CE 3.42Å; W261-K269 PolarHBondContact O-NZ 3.18Å; D262-K269 PolarHBondContact O-NZ 2.84Å; L264-K269 HydrophobicContact CB-CG 4.02Å; L264-K269 VanDerWaalsContact O-CE 3.29Å; L264-K269 WeakPolarHBondContact O-CE 3.21Å; L264-K269 PolarHBondContact O-NZ 2.96Å; G265-K269 PolarHBondContact O-N 3.22Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.09Å; E266-K269 WeakPolarHBondContact OE2-CD 3.3Å; K269-Y272 PolarHBondContact O-N 3Å; K269-K273 WeakPolarHBondContact O-CG 3.31Å; K269-K273 PolarHBondContact O-N 3.27Å
270Q96Very high95.7Very high73 Ų7379.7 Ų79.734%0.34141%0.407SS..Hα-helixtrans-68.1-33.9175.1-73.6-74.614.600113.3E266 E267 Q268 Y272 K273 R274E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 VanDerWaalsContact O-CB 3.31Å; E266-Q270 WeakPolarHBondContact O-CB 3.16Å; E266-Q270 WeakPolarHBondContact O-CG 3.26Å; E266-Q270 PolarHBondContact O-N 3.31Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.34Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å; E267-Q270 CarbonylContact O-C 3.47Å; E267-Q270 WeakPolarHBondContact O-CB 3.42Å; E267-Q270 PolarHBondContact O-N 2.96Å; Q268-Q270 VanDerWaalsContact C-N 3.27Å; Q268-Q270 PolarHBondContact O-N 3.45Å; Q270-Y272 VanDerWaalsContact C-N 3.34Å; Q270-K273 HydrophobicContact CG-CD 4.42Å; Q270-K273 PolarHBondContact O-N 3.3Å; Q270-K273 VanDerWaalsContact OE1-CD 3.28Å; Q270-R274 WeakPolarHBondContact O-CB 3.42Å; Q270-R274 WeakPolarHBondContact O-CG 3.38Å; Q270-R274 PolarHBondContact O-N 3.41Å
271V96.1Very high95.7Very high59 Ų5983.8 Ų83.836%0.35842%0.423SS..Hα-helixtrans-61.7-43169.7171.40000110.6E267 Q268 R274 K275E267-V271 PolarHBondContact O-N 3.44Å; Q268-V271 PolarHBondContact O-N 3.22Å; V271-R274 PolarHBondContact O-N 3.03Å; V271-K275 HydrophobicContact CG1-CD 4.48Å; V271-K275 WeakPolarHBondContact O-CG 3.16Å; V271-K275 PolarHBondContact O-N 3.21Å
272Y96.6Very high95.5Very high35 Ų3588.5 Ų88.514%0.13745%0.447CS..Hα-helixtrans-69.2-36.5175.2-79.4-78.4000113.3L232 F233 D236 W261 L264 Q268 K269 Q270 K275 T276L232-Y272 HydrophobicContact CB-CD1 4.22Å; L232-Y272 HydrophobicContact CD2-CD1 4.03Å; L232-Y272 HydrophobicContact CG-CD1 4.01Å; L232-Y272 HydrophobicContact CG-CE1 4.22Å; F233-Y272 HydrophobicContact CB-CD1 3.99Å; F233-Y272 HydrophobicContact CB-CD2 4.41Å; F233-Y272 HydrophobicContact CB-CE1 3.99Å; F233-Y272 HydrophobicContact CB-CE2 4.41Å; F233-Y272 HydrophobicContact CB-CG 4.22Å; F233-Y272 HydrophobicContact CD2-CD2 4.27Å; F233-Y272 HydrophobicContact CD2-CE1 4.38Å; F233-Y272 AromaticContact CD2-CE2 3.68Å; F233-Y272 HydrophobicContact CD2-CE2 3.68Å; F233-Y272 AromaticContact CD2-CZ 3.75Å; D236-Y272 WeakPolarHBondContact OD2-CE1 3.43Å; D236-Y272 PolarHBondContact OD2-OH 3.5Å; W261-Y272 HydrophobicContact CZ3-CD2 4.2Å; W261-Y272 HydrophobicContact CZ3-CG 4.18Å; L264-Y272 HydrophobicContact CD1-CD2 4.49Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.43Å; Q268-Y272 PolarHBondContact O-N 3.16Å; Q268-Y272 VanDerWaalsContact O-N 3.15Å; K269-Y272 PolarHBondContact O-N 3Å; Q270-Y272 VanDerWaalsContact C-N 3.34Å; Y272-K275 HydrophobicContact CD1-CD 4.36Å; Y272-K275 HydrophobicContact CE1-CD 4.45Å; Y272-K275 PolarHBondContact O-N 3.4Å; Y272-T276 PolarHBondContact O-N 3.47Å; Y272-T276 PolarHBondContact O-OG1 3.45Å
273K96.1Very high95.4Very high92 Ų9284.6 Ų84.640%0.442%0.423SS..Hα-helixtrans-58.2-51.5170.5-71.4167.5176.6176.20111.1A229 E266 K269 Q270 K275 T276 E277A229-K273 HydrophobicContact CB-CG 4.2Å; E266-K273 IonicContact OE1-NZ 3.06Å; E266-K273 PolarHBondContact OE1-NZ 2.87Å; E266-K273 IonicContact OE2-NZ 2.59Å; K269-K273 WeakPolarHBondContact O-CG 3.31Å; K269-K273 PolarHBondContact O-N 3.27Å; Q270-K273 HydrophobicContact CG-CD 4.42Å; Q270-K273 PolarHBondContact O-N 3.3Å; Q270-K273 VanDerWaalsContact OE1-CD 3.28Å; K273-K275 PolarHBondContact O-N 3.32Å; K273-T276 PolarHBondContact O-N 2.88Å; K273-E277 PolarHBondContact O-N 3.44Å
274R96.8Very high95.3Very high146 Ų14684.7 Ų84.755%0.55142%0.416SS*.Hα-helixtrans-59.9-41.8176.9-75.5-179.2-110.5153.9-4.8112.8Q270 V271 E277 A278Q270-R274 WeakPolarHBondContact O-CB 3.42Å; Q270-R274 WeakPolarHBondContact O-CG 3.38Å; Q270-R274 PolarHBondContact O-N 3.41Å; V271-R274 PolarHBondContact O-N 3.03Å; R274-E277 PolarHBondContact O-N 2.97Å; R274-A278 WeakPolarHBondContact O-CB 3.42Å; R274-A278 PolarHBondContact O-N 2.76Å
275K95.5Very high95.3Very high98 Ų9891.3 Ų91.343%0.42644%0.443SS..Hα-helixtrans-60.4-45.7173.8-76.9178.8175.1-175.60112.2L232 V271 Y272 K273 E277 A278 A279L232-K275 HydrophobicContact CD2-CB 3.57Å; L232-K275 HydrophobicContact CD2-CD 4.07Å; L232-K275 HydrophobicContact CD2-CG 4.47Å; V271-K275 HydrophobicContact CG1-CD 4.48Å; V271-K275 WeakPolarHBondContact O-CG 3.16Å; V271-K275 PolarHBondContact O-N 3.21Å; Y272-K275 HydrophobicContact CD1-CD 4.36Å; Y272-K275 HydrophobicContact CE1-CD 4.45Å; Y272-K275 PolarHBondContact O-N 3.4Å; K273-K275 PolarHBondContact O-N 3.32Å; K275-E277 VanDerWaalsContact C-N 3.35Å; K275-A278 PolarHBondContact O-N 2.9Å; K275-A279 WeakPolarHBondContact O-CB 3.4Å; K275-A279 PolarHBondContact O-N 3.31Å
276T95.5Very high95.2Very high26 Ų2691.1 Ų91.116%0.1644%0.438CS..Hα-helixtrans-64.1-37.7176.1-77.80000112.3V227 S228 A229 Y272 K273 K280V227-T276 VanDerWaalsContact O-CG2 3.3Å; V227-T276 WeakPolarHBondContact O-CG2 3.44Å; V227-T276 PolarHBondContact O-OG1 3.47Å; S228-T276 VanDerWaalsContact C-OG1 3.32Å; A229-T276 VanDerWaalsContact CA-OG1 3.31Å; A229-T276 WeakPolarHBondContact CA-OG1 3.47Å; A229-T276 PolarHBondContact N-OG1 3.37Å; A229-T276 VanDerWaalsContact N-OG1 3.1Å; Y272-T276 PolarHBondContact O-N 3.47Å; Y272-T276 PolarHBondContact O-OG1 3.45Å; K273-T276 PolarHBondContact O-N 2.88Å; T276-K280 WeakPolarHBondContact O-CB 3.37Å; T276-K280 PolarHBondContact O-N 3.45Å
277E96.3Very high95Very high138 Ų13889 Ų8965%0.64543%0.43SS*.Hα-helixtrans-68.2-43.4176.1-173.6176.889.700112.4K273 R274 K275 A279 K280 K281K273-E277 PolarHBondContact O-N 3.44Å; R274-E277 PolarHBondContact O-N 2.97Å; K275-E277 VanDerWaalsContact C-N 3.35Å; E277-A279 PolarHBondContact O-N 2.93Å; E277-K280 CarbonylContact O-C 3.6Å; E277-K280 WeakPolarHBondContact O-CA 3.46Å; E277-K280 WeakPolarHBondContact O-CB 3.4Å; E277-K280 PolarHBondContact O-N 3.32Å; E277-K280 VanDerWaalsContact O-N 3.07Å; E277-K281 PolarHBondContact O-N 2.64Å
278A96.4Very high94.9Very high60 Ų6084.5 Ų84.550%0.49642%0.419SS..Hα-helixtrans-58.1-48173.600000111.2R274 K275 K280 K281 E282R274-A278 WeakPolarHBondContact O-CB 3.42Å; R274-A278 PolarHBondContact O-N 2.76Å; K275-A278 PolarHBondContact O-N 2.9Å; A278-K280 VanDerWaalsContact C-N 3.25Å; A278-K280 PolarHBondContact O-N 3.02Å; A278-K281 PolarHBondContact O-N 2.87Å; A278-K281 VanDerWaalsContact O-N 3.15Å; A278-E282 WeakPolarHBondContact O-CB 3.49Å; A278-E282 PolarHBondContact O-N 2.79Å
279A95.2Very high94.7Very high36 Ų3681.9 Ų81.930%0.29841%0.414SS..Hα-helixtrans-63-28.6174.800000113.1P226 K275 E277 Y283P226-A279 HydrophobicContact CB-CB 4.02Å; K275-A279 WeakPolarHBondContact O-CB 3.4Å; K275-A279 PolarHBondContact O-N 3.31Å; E277-A279 PolarHBondContact O-N 2.93Å; A279-Y283 WeakPolarHBondContact O-CB 3.3Å; A279-Y283 PolarHBondContact O-N 3.21Å
280K94Very high94.5Very high123 Ų12383 Ų8354%0.53542%0.418SS..Hα-helixtrans-72.3-40.8172.5-175.5-171.1174.6-167.20112P226 T276 E277 A278 Y283 L284P226-K280 HydrophobicContact CG-CB 4Å; P226-K280 HydrophobicContact CG-CG 4.38Å; T276-K280 WeakPolarHBondContact O-CB 3.37Å; T276-K280 PolarHBondContact O-N 3.45Å; E277-K280 CarbonylContact O-C 3.6Å; E277-K280 WeakPolarHBondContact O-CA 3.46Å; E277-K280 WeakPolarHBondContact O-CB 3.4Å; E277-K280 PolarHBondContact O-N 3.32Å; E277-K280 VanDerWaalsContact O-N 3.07Å; A278-K280 VanDerWaalsContact C-N 3.25Å; A278-K280 PolarHBondContact O-N 3.02Å; K280-Y283 PolarHBondContact O-N 3.31Å; K280-L284 WeakPolarHBondContact O-CG 3.29Å; K280-L284 PolarHBondContact O-N 3.01Å
281K95.3Very high94.1Very high168 Ų16886.5 Ų86.573%0.7343%0.432SS*.Hα-helixtrans-64.7-42.1174.3-172.2174.8-177.9175.20111.2E277 A278 L284 K285E277-K281 PolarHBondContact O-N 2.64Å; A278-K281 PolarHBondContact O-N 2.87Å; A278-K281 VanDerWaalsContact O-N 3.15Å; K281-L284 PolarHBondContact O-N 2.91Å; K281-K285 PolarHBondContact O-N 3.49Å
282E94.1Very high93.8Very high138 Ų13888.5 Ų88.565%0.64544%0.441SS*.Hα-helixtrans-63.9-47.7173.8-175174.8-154.900111.9A278 L284 K285 A286A278-E282 WeakPolarHBondContact O-CB 3.49Å; A278-E282 PolarHBondContact O-N 2.79Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.1Å; E282-K285 PolarHBondContact O-N 2.95Å; E282-K285 VanDerWaalsContact O-N 3.14Å; E282-A286 WeakPolarHBondContact O-CB 3.31Å; E282-A286 PolarHBondContact O-N 2.86Å
283Y94.3Very high93.1Very high33 Ų3391.2 Ų91.213%0.12946%0.458CS..Hα-helixtrans-54.8-42.8174.9171.1-105.3000112.5P223 Q224 K225 A279 K280 L287P223-Y283 HydrophobicContact CB-CD2 3.9Å; P223-Y283 HydrophobicContact CB-CE2 4.09Å; P223-Y283 HydrophobicContact CG-CD2 4.32Å; P223-Y283 HydrophobicContact CG-CE2 4.08Å; P223-Y283 VanDerWaalsContact O-CE2 3.29Å; P223-Y283 WeakPolarHBondContact O-CE2 3.22Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.35Å; K225-Y283 HydrophobicContact CB-CE2 4.45Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.21Å; K225-Y283 HydrophobicContact CG-CE1 4.1Å; K225-Y283 HydrophobicContact CG-CE2 3.78Å; K225-Y283 WeakPolarHBondContact CG-OH 3.47Å; A279-Y283 WeakPolarHBondContact O-CB 3.3Å; A279-Y283 PolarHBondContact O-N 3.21Å; K280-Y283 PolarHBondContact O-N 3.31Å; Y283-L287 HydrophobicContact CE1-CD2 4.25Å; Y283-L287 WeakPolarHBondContact O-CB 3.33Å; Y283-L287 PolarHBondContact O-N 3.11Å
284L93.5Very high92.2Very high97 Ų9790.8 Ų90.851%0.50846%0.457SS..Hα-helixtrans-67.5-41.2177.2-70.4170.8000112.3K280 K281 E282 L287 A288K280-L284 WeakPolarHBondContact O-CG 3.29Å; K280-L284 PolarHBondContact O-N 3.01Å; K281-L284 PolarHBondContact O-N 2.91Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.1Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-A288 PolarHBondContact O-N 3.02Å
285K94.6Very high91Very high167 Ų16790.8 Ų90.873%0.72646%0.464SS*.Hα-helixtrans-62.2-46.1174.4-174-173.5177.6-172.10111.4K281 E282 L287 A288 A289K281-K285 PolarHBondContact O-N 3.49Å; E282-K285 PolarHBondContact O-N 2.95Å; E282-K285 VanDerWaalsContact O-N 3.14Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 2.9Å; K285-A288 PolarHBondContact O-N 2.71Å; K285-A289 PolarHBondContact O-N 2.58Å
286A93.5Very high89.6Confident39 Ų3989.5 Ų89.532%0.32247%0.466SS..Hα-helixtrans-67.3-33.2178.400000112.1P223 E282 A289 Y290P223-A286 HydrophobicContact CB-CB 3.7Å; P223-A286 HydrophobicContact CG-CB 4.21Å; E282-A286 WeakPolarHBondContact O-CB 3.31Å; E282-A286 PolarHBondContact O-N 2.86Å; A286-A289 PolarHBondContact O-N 2.92Å; A286-Y290 WeakPolarHBondContact O-CB 3.34Å; A286-Y290 PolarHBondContact O-N 3.15Å
287L90.8Very high87.7Confident49 Ų4993.7 Ų93.726%0.25748%0.484SS..Hα-helixtrans-69.6-34.3174.9-173.167.3000112.3P223 Y283 L284 K285 K291P223-L287 HydrophobicContact CG-CB 4.18Å; P223-L287 HydrophobicContact CG-CD1 4.18Å; Y283-L287 HydrophobicContact CE1-CD2 4.25Å; Y283-L287 WeakPolarHBondContact O-CB 3.33Å; Y283-L287 PolarHBondContact O-N 3.11Å; L284-L287 PolarHBondContact O-N 3.05Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 2.9Å; L287-K291 WeakPolarHBondContact O-CG 3.31Å; L287-K291 PolarHBondContact O-N 2.73Å
288A92.6Very high85.8Confident61 Ų6190.5 Ų90.550%0.50448%0.481SS..Hα-helixtrans-65.1-51.4170.800000110.9L284 K285 Y290 K291 D292L284-A288 PolarHBondContact O-N 3.02Å; K285-A288 PolarHBondContact O-N 2.71Å; A288-Y290 VanDerWaalsContact C-N 3.3Å; A288-Y290 PolarHBondContact O-N 3.25Å; A288-K291 PolarHBondContact O-N 2.81Å; A288-K291 VanDerWaalsContact O-N 3.1Å; A288-D292 WeakPolarHBondContact O-CB 3.29Å; A288-D292 PolarHBondContact O-N 3.34Å
289A91.2Very high83.7Confident47 Ų4792.6 Ų92.639%0.38849%0.488SS..Hα-helixtrans-59.4-37.6176.900000113K285 A286 K291 D292 N293K285-A289 PolarHBondContact O-N 2.58Å; A286-A289 PolarHBondContact O-N 2.92Å; A289-K291 VanDerWaalsContact C-N 3.34Å; A289-K291 PolarHBondContact O-N 3.25Å; A289-D292 PolarHBondContact O-N 3.49Å; A289-N293 VanDerWaalsContact O-CB 3.3Å; A289-N293 WeakPolarHBondContact O-CB 3.33Å; A289-N293 PolarHBondContact O-N 3.19Å; A289-N293 PolarHBondContact O-ND2 2.83Å
290Y90.1Very high81.8Confident58 Ų5895.6 Ų95.623%0.22750%0.502CS..Hα-helixtrans-71.8-23.6177.4-178.6-106.7000113.6N221 E222 A286 A288 Q294N221-Y290 HydrophobicContact CB-CE2 4.15Å; N221-Y290 WeakPolarHBondContact O-CD2 3.37Å; E222-Y290 HydrophobicContact CB-CE1 4.43Å; E222-Y290 HydrophobicContact CG-CE1 4.29Å; A286-Y290 WeakPolarHBondContact O-CB 3.34Å; A286-Y290 PolarHBondContact O-N 3.15Å; A288-Y290 VanDerWaalsContact C-N 3.3Å; A288-Y290 PolarHBondContact O-N 3.25Å; Y290-Q294 PolarHBondContact O-N 3.39Å; Y290-Q294 PolarHBondContact O-NE2 3.19Å
291K88.4Confident79.8Confident146 Ų14696.9 Ų96.964%0.63551%0.51SS*.Hα-helixtrans-76.2-49.5169.5-76.9-177.1172.5-163.30111L287 A288 A289 N293 Q294 E295L287-K291 WeakPolarHBondContact O-CG 3.31Å; L287-K291 PolarHBondContact O-N 2.73Å; A288-K291 PolarHBondContact O-N 2.81Å; A288-K291 VanDerWaalsContact O-N 3.1Å; A289-K291 VanDerWaalsContact C-N 3.34Å; A289-K291 PolarHBondContact O-N 3.25Å; K291-N293 PolarHBondContact O-N 2.84Å; K291-Q294 WeakPolarHBondContact O-CB 3.38Å; K291-Q294 PolarHBondContact O-N 2.83Å; K291-Q294 VanDerWaalsContact O-N 3.09Å; K291-E295 PolarHBondContact O-N 3.01Å
292D89Confident77.5Confident102 Ų10294.4 Ų94.455%0.54551%0.509SS..Hα-helixtrans-53.9-48.8176.2177.979.7000111.8A288 A289 Q294 E295 C296A288-D292 WeakPolarHBondContact O-CB 3.29Å; A288-D292 PolarHBondContact O-N 3.34Å; A289-D292 PolarHBondContact O-N 3.49Å; D292-Q294 VanDerWaalsContact C-N 3.33Å; D292-Q294 PolarHBondContact O-N 3.07Å; D292-E295 PolarHBondContact O-N 2.85Å; D292-C296 PolarHBondContact O-N 3.21Å; D292-C296 VanDerWaalsContact O-N 3.17Å; D292-C296 PolarHBondContact O-SG 2.82Å
293N82Confident75.6Confident91 Ų9193.8 Ų93.849%0.48752%0.515SS..Hα-helixtrans-69.7-24.1177.3-81.2-119.3000113.7A289 K291 Q297A289-N293 VanDerWaalsContact O-CB 3.3Å; A289-N293 WeakPolarHBondContact O-CB 3.33Å; A289-N293 PolarHBondContact O-N 3.19Å; A289-N293 PolarHBondContact O-ND2 2.83Å; K291-N293 PolarHBondContact O-N 2.84Å; N293-Q297 WeakPolarHBondContact O-CB 3.45Å; N293-Q297 PolarHBondContact O-N 2.74Å
294Q78.4Confident73.1Confident83 Ų83100.8 Ų100.839%0.38855%0.549SS..Hα-helixtrans-69.6-40.1172-95.2169.6105.900111.3Y290 K291 D292 Q297 A298Y290-Q294 PolarHBondContact O-N 3.39Å; Y290-Q294 PolarHBondContact O-NE2 3.19Å; K291-Q294 WeakPolarHBondContact O-CB 3.38Å; K291-Q294 PolarHBondContact O-N 2.83Å; K291-Q294 VanDerWaalsContact O-N 3.09Å; D292-Q294 VanDerWaalsContact C-N 3.33Å; D292-Q294 PolarHBondContact O-N 3.07Å; Q294-Q297 PolarHBondContact O-N 2.77Å; Q294-A298 WeakPolarHBondContact O-CB 2.9Å; Q294-A298 PolarHBondContact O-N 3.37Å
295E70Confident71Confident147 Ų147103.5 Ų103.569%0.68756%0.563SS**Hα-helixtrans-64.7-44.2177.6-159.776.3165.200110.9K291 D292 A298K291-E295 PolarHBondContact O-N 3.01Å; D292-E295 PolarHBondContact O-N 2.85Å; E295-A298 PolarHBondContact O-N 2.94Å
296C66.4Low68.8Low70 Ų70103 Ų10347%0.47357%0.568SS.*Hα-helixtrans-65.4-37173.7-59.80000113D292 T299 V300D292-C296 PolarHBondContact O-N 3.21Å; D292-C296 VanDerWaalsContact O-N 3.17Å; D292-C296 PolarHBondContact O-SG 2.82Å; C296-T299 PolarHBondContact O-N 3.12Å; C296-T299 PolarHBondContact O-OG1 3.12Å; C296-T299 VanDerWaalsContact O-OG1 3.07Å; C296-V300 WeakPolarHBondContact O-CG2 3.36Å
297Q56.9Low66.6Low115 Ų115106.2 Ų106.254%0.53759%0.586SS.*Hα-helixtrans-69.5-36.5179.4-174.9154.984.200111.9N293 Q294 T299 V300 E301N293-Q297 WeakPolarHBondContact O-CB 3.45Å; N293-Q297 PolarHBondContact O-N 2.74Å; Q294-Q297 PolarHBondContact O-N 2.77Å; Q297-T299 PolarHBondContact O-N 3.42Å; Q297-V300 PolarHBondContact O-N 3.41Å; Q297-E301 PolarHBondContact O-N 3.01Å
298A55.5Low64.6Low71 Ų71108.3 Ų108.359%0.58761%0.61SS**Hα-helixtrans-62.1-23.5177.200000114.1Q294 E295Q294-A298 WeakPolarHBondContact O-CB 2.9Å; Q294-A298 PolarHBondContact O-N 3.37Å; E295-A298 PolarHBondContact O-N 2.94Å
299T51.7Low62.9Low103 Ų103111 Ų11163%0.63262%0.622SS**Hα-helixtrans-95.3-16.1178.457.80000114.3C296 Q297C296-T299 PolarHBondContact O-N 3.12Å; C296-T299 PolarHBondContact O-OG1 3.12Å; C296-T299 VanDerWaalsContact O-OG1 3.07Å; Q297-T299 PolarHBondContact O-N 3.42Å
300V55Low60.9Low100 Ų100114 Ų11461%0.60664%0.638SS**Hα-helixtrans-94.3-33.1-177.4175.60000112.5C296 Q297 T302 V303C296-V300 WeakPolarHBondContact O-CG2 3.36Å; Q297-V300 PolarHBondContact O-N 3.41Å; V300-T302 PolarHBondContact O-N 3.3Å; V300-V303 PolarHBondContact O-N 3.2Å; V300-V303 VanDerWaalsContact O-N 3.16Å
301E52.6Low58.4Low150 Ų150117.1 Ų117.170%0.70167%0.668SS**THydrogen-bonded Turntrans-70.4-0.6-175.9-143.6170126.200114.4Q297Q297-E301 PolarHBondContact O-N 3.01Å
302T47.6Very low56.4Low116 Ų116118.3 Ų118.371%0.71268%0.676SS**THydrogen-bonded Turntrans-95.2-9175.3-57.90000113.4V300V300-T302 PolarHBondContact O-N 3.3Å
303V52.9Low53.9Low125 Ų125119.8 Ų119.876%0.75869%0.689SS**SBendtrans-129.231.4-173.3-154.80000113.4V300V300-V303 PolarHBondContact O-N 3.2Å; V300-V303 VanDerWaalsContact O-N 3.16Å
304E43.1Very low52.1Low180 Ų180121.1 Ų121.184%0.84170%0.702SS**  trans-142.450.4166.9-156.5166.781.300112.6
305L48.9Very low50.5Low154 Ų154122.2 Ų122.281%0.80672%0.719SS**  trans-123.568.4171-76.8172.1000110.9
306D49.3Very low49.8Very low157 Ų157121 Ų12184%0.8472%0.723SS**PPolyproline II helixtrans-65.7126.3167.1-171.8-121.1000109.6
307P47.3Very low49.8Very low106 Ų106123.4 Ų123.469%0.68874%0.739SS**PPolyproline II helixtrans-77.6132.4-165.128.7-34.9000113.1
308A48.3Very low49.3Very low92 Ų92123 Ų12376%0.7675%0.746SS**PPolyproline II helixtrans-59.5139.7178.700000112.6
309P56.3Low48.8Very low117 Ų117128.3 Ų128.376%0.7676%0.761SS**PPolyproline II helixtrans-68.2140-177.227.5-35000111.7S311P309-S311 PolarHBondContact O-N 3.44Å
310P49.9Very low48.4Very low112 Ų112127.8 Ų127.873%0.72777%0.767SS**PPolyproline II helixtrans-70.5127.5-177.127.6-34.4000111.9Q312P310-Q312 PolarHBondContact O-N 3.1Å
311S37.6Very low47.8Very low122 Ų122129.1 Ų129.185%0.85378%0.776SS**  trans-62.9105.8173.9-65.50000111.5P309P309-S311 PolarHBondContact O-N 3.44Å
312Q46Very low47.8Very low172 Ų172128.1 Ų128.180%0.80478%0.779SS**  trans-117118.8166-73.6-170.779.300110.2P310 P314P310-Q312 PolarHBondContact O-N 3.1Å; Q312-P314 VanDerWaalsContact O-CD 3.25Å; Q312-P314 WeakPolarHBondContact O-CD 3.3Å
313T35.5Very low48Very low133 Ų133129.2 Ų129.282%0.81678%0.781SS**  trans-106.3104.9-175.2-49.90000110.6
314P45.2Very low48Very low119 Ų119128.8 Ų128.877%0.77378%0.781SS**PPolyproline II helixtrans-94.7131.7163.833.6-30.4000111.1Q312Q312-P314 VanDerWaalsContact O-CD 3.25Å; Q312-P314 WeakPolarHBondContact O-CD 3.3Å
315S44.2Very low48.1Very low105 Ų105125.1 Ų125.173%0.73478%0.781SS**PPolyproline II helixtrans-69.1150.1-178.2-54.90000113.5
316P55.9Low48.3Very low121 Ų121123.3 Ų123.379%0.78678%0.781SS**PPolyproline II helixtrans-74133.4175.630.1-34.3000112.1
317P66.1Low48.4Very low122 Ų122121.1 Ų121.179%0.79278%0.776SS**PPolyproline II helixtrans-76.7143169.131.4-33.4000111.3
318P47.2Very low48.6Very low107 Ų107120.5 Ų120.570%0.69578%0.779SS**PPolyproline II helixtrans-91.4146.9-174.634.5-35.3000115
319M44.3Very low48.6Very low182 Ų182121.9 Ų121.990%0.89778%0.781SS**  trans45.9111.7143.2-59.1-176.6-70.300120.8
320A43.7Very low48.1Very low92 Ų92120.6 Ų120.676%0.7678%0.78SS**  trans-158.5119131.100000112.6
321T42.3Very low47.9Very low128 Ų128120.3 Ų120.379%0.78578%0.78SS**  trans12.1141136-4.50000118.7
322V52.3Low48.4Very low129 Ų129121.9 Ų121.978%0.78278%0.778SS**  cis-152.1144.933-159.70000114.3
323D51.2Low48.4Very low139 Ų139122.4 Ų122.474%0.74378%0.78SS**  trans-44.7179.5156.2-76.1-102.3000118.1
324P54.5Low49Very low116 Ų116121 Ų12175%0.75377%0.773SS**  cis-144177.4-47.842-25.8000114
325A44.9Very low49.1Very low103 Ų103120.9 Ų120.985%0.85177%0.773SS**  trans-172123.6143.700000115
326S52.1Low48.8Very low116 Ų116120.4 Ų120.481%0.81178%0.775SS**  trans-90.9-177.6175-105.30000112.7
327P51.4Low48Very low111 Ų111122.4 Ų122.472%0.72178%0.778SS**  cis-146.1164.7-25.837-18.1000117.4
328A50.9Low47.1Very low92 Ų92122 Ų12276%0.7678%0.778SS**  trans65.3-178.8139.700000120.1
329P48.4Very low47.1Very low122 Ų122122.8 Ų122.879%0.79278%0.783SS**  -136.1176.3-71.141.2-27.2000115.7
330A47.5Very low47Very low90 Ų90119 Ų11974%0.74477%0.774SS**  trans131.8143.6132.600000118.7
331S44.3Very low47Very low105 Ų105121.6 Ų121.673%0.73477%0.774SS**  trans82.6121.1142.6-69.80000124.1
332I47.6Very low47.1Very low155 Ų155121.6 Ų121.680%0.79577%0.774SS**  trans81.4100.3139.3-58.2162.3000119.3
333E46.5Very low46.7Very low184 Ų184121.2 Ų121.286%0.8677%0.771SS**  38.2161.7112.9-89.8-153.930.300123.7
334P47.8Very low46.2Very low103 Ų103122.3 Ų122.367%0.66978%0.777SS**  trans-127.9-134.3-134.945.6-26.7000111.7
335P49.1Very low45.6Very low117 Ų117121.5 Ų121.576%0.7677%0.774SS**  cis-121.2165.8-4437-24.3000113
336A37.4Very low45.6Very low95 Ų95122.2 Ų122.279%0.78577%0.768SS**  trans-169.6133.1149.800000115.9
337L39.2Very low45Very low163 Ų163124.5 Ų124.585%0.85377%0.771SS**  trans-0.6135.9144.2-50.4169000118
338S47.4Very low44.5Very low113 Ų113124 Ų12479%0.7977%0.769SS**  -175.4169.880.3-67.50000112.7
339P46.8Very low43.9Very low123 Ų123123.7 Ų123.780%0.79976%0.762SS**  trans-118-175.8-153.943.6-35.4000118.1
340S42.4Very low43.5Very low102 Ų102128.4 Ų128.471%0.71377%0.766SS**  trans-155126.8164.2-79.30000109.6
341I44Very low43.1Very low148 Ų148130.3 Ų130.376%0.75977%0.767SS**  67.5114.286.9-62.3162.6000110.8
342V44.2Very low42.9Very low128 Ų128129.9 Ų129.978%0.77677%0.77SS**  -140.4131.860.2-82.20000113.4
343V43.7Very low42.4Very low120 Ų120129.2 Ų129.273%0.72777%0.768SS**  69.9111.688.3-179.90000116.2
344N40.8Very low42.1Very low162 Ų162128.8 Ų128.887%0.86677%0.767SS**  -151.8160.2124-130.8-11.6000112.5
345S42.1Very low41.6Very low99 Ų99128 Ų12869%0.69277%0.769SS**  trans-90.6171.1-158.9-67.50000115.3
346T43.5Very low41.1Very low119 Ų119127.7 Ų127.773%0.7377%0.769SS**  cis163.7117.6-21.9-77.20000106.2
347L41Very low41.1Very low164 Ų164129.1 Ų129.186%0.85977%0.773SS**  trans147136.8154.8-85.1155.8000109.8
348S39.8Very low40.9Very low99 Ų99124.8 Ų124.869%0.69277%0.768SS**  cis-144.9171.1-0.9-159.10000112.4
349S38.7Very low40.3Very low87 Ų87122.2 Ų122.261%0.60875%0.754SS**  trans-56.6157.4179.650.70000114
350Y39.1Very low39.7Very low221 Ų221119.1 Ų119.187%0.86774%0.744SS**  -150.3171.553.9-127.3-94.8000115.2
351V40.1Very low39.2Very low129 Ų129117.5 Ų117.578%0.78274%0.743SS**  trans-129.2130.5-167-177.90000112.6
352A39.8Very low38.8Very low96 Ų96118.7 Ų118.779%0.79375%0.746SS**  trans-161.1128.1152.200000113.9
353N38Very low38.7Very low141 Ų141118 Ų11875%0.75474%0.744SS**  trans-22.6153.8153.6-70.1-41000117.8
354Q39.5Very low38.4Very low176 Ų176119.2 Ų119.282%0.82275%0.746SS**  cis-159.9150.619.5-131.1164128.600113.8
355A37.4Very low38.2Very low86 Ų86118.8 Ų118.871%0.71174%0.743SS**  trans8.7121.715900000121.6
356S38.5Very low38.2Very low111 Ų111120 Ų12078%0.77675%0.746SS**  172.2120.2100.9-730000115
357S38Very low37.7Very low124 Ų124123.2 Ų123.287%0.86775%0.75SS**  trans52.673.9143.9-52.20000119.6
358G34.6Very low37.7Very low72 Ų72122.7 Ų122.774%0.74275%0.747SS**  trans-71.3-172.7175.800000118.1
359A34.4Very low37.6Very low60 Ų60125.3 Ų125.350%0.49675%0.751SS.*  trans-148.2152.6169.200000111.1T114T114-A359 HydrophobicContact CG2-CB 3.67Å
360G33.3Very low37.8Very low57 Ų57128.1 Ų128.159%0.58876%0.758SS**  trans110.4135.7162.400000116.9
361G33.6Very low37.7Very low68 Ų68123.6 Ų123.670%0.70175%0.754SS**  trans105.9111.8156.100000117.7
362Q34.9Very low37.9Very low174 Ų174127.3 Ų127.381%0.81376%0.759SS**  trans50.2131.3151.4-77.8-74.6-1.500120.7
363P42.2Very low38.1Very low114 Ų114130.2 Ų130.274%0.7476%0.756SS**  trans-124.8127.5130.634.8-27.8000112.9
364N38Very low38.3Very low145 Ų145130.8 Ų130.878%0.77576%0.757SS**  trans-66.1140.8165.6-172.2-11.1000109.9T366N364-T366 PolarHBondContact O-N 3.11Å
365I36.6Very low38.4Very low153 Ų153129.6 Ų129.679%0.78576%0.755SS**  trans-90.1102.5-174-60.5175.8000110.4
366T41.9Very low38.6Very low123 Ų123130.9 Ų130.976%0.75576%0.756SS**  trans-101.3129.8163.1-550000109.8N364N364-T366 PolarHBondContact O-N 3.11Å
367K33.4Very low38.5Very low187 Ų187129.9 Ų129.981%0.81375%0.749SS**  trans-71.3133.6-179.8-62.9167.7-177.7165.80110.6
368L40.7Very low38.6Very low154 Ų154129.9 Ų129.981%0.80675%0.749SS**  trans-125.8134158.4-127.375000109.8I370L368-I370 HydrophobicContact CD2-CD1 4.46Å
369I37.3Very low38.7Very low153 Ų153133.4 Ų133.479%0.78575%0.749SS**  trans-107.7117.9-179.6-60.7168.3000107.5
370I42.1Very low38.8Very low147 Ų147137.2 Ų137.275%0.75477%0.766SS**  trans-132.7110.3170.7-59.2-177.1000109.7L368L368-I370 HydrophobicContact CD2-CD1 4.46Å
371T37.5Very low39.1Very low126 Ų126142.1 Ų142.177%0.77378%0.776SS**  trans-70.8143.8171.4-41.80000110.2
372K44.8Very low39.5Very low206 Ų206143.8 Ų143.890%0.89678%0.777SS**  trans-137150.6159.7-128.6-174.4-179.2-173.90114
373Q42.7Very low39.9Very low157 Ų157143.9 Ų143.973%0.73478%0.778SS**  trans-124.5163.4-165.5-167.8-150.749.900109.3
374M42.9Very low39.8Very low154 Ų154142.6 Ų142.676%0.75979%0.785SS**  trans80.1114.8168-69.2-60.1170.600119.8
375L42Very low39.7Very low151 Ų151139.3 Ų139.379%0.79179%0.785SS**  trans-64.8-179.7150.1-104.372.9000110.6
376P41.9Very low39.9Very low113 Ų113141 Ų14173%0.73479%0.792SS**  cis-148.9162.932.941.5-19.8000121
377S36.9Very low39.4Very low89 Ų89141 Ų14162%0.62279%0.792SS**  trans41.4125.5136.9-54.80000123.2
378S38.7Very low39.7Very low124 Ų124137.9 Ų137.987%0.86779%0.789SS**  trans-157.887.1130.6-84.80000114.1
379I36.5Very low39.7Very low147 Ų147136.6 Ų136.675%0.75479%0.787SS**  trans8.8133.4133.2-62.2164000118.6
380T37.6Very low40Very low139 Ų139135.8 Ų135.885%0.85378%0.783SS**  -157.3142.2127.2-75.60000109.6
381M38.8Very low40.1Very low161 Ų161134 Ų13479%0.79378%0.781SS**  trans-112.2151.7-175.9-66.6178.765.700113
382S41.6Very low40.2Very low103 Ų103132.9 Ų132.972%0.7278%0.784SS**  trans170.1149.9137.7-85.90000111.8
383Q42.9Very low40.1Very low176 Ų176129.1 Ų129.182%0.82278%0.779SS**  cis-166.7133.1-25.5-138.2-179.2100.600109.6
384G40.6Very low40Very low87 Ų87128.1 Ų128.190%0.89778%0.783SS**  trans74.1150.716300000118.5
385G36.8Very low39.9Very low76 Ų76126.5 Ų126.578%0.78478%0.782SS**  trans129.992.1173.100000113.8
386M40Very low39.7Very low188 Ų188125.6 Ų125.693%0.92678%0.782SS**  trans-61.7144.8-172.754.1-106.8-160.600115.5
387V31Very low40Very low124 Ų124125.2 Ų125.275%0.75278%0.783SS**  trans-74139.4-179.4176.40000111.8V389V387-V389 HydrophobicContact CG1-CG2 3.76Å
388T39.8Very low40.1Very low121 Ų121133 Ų13374%0.74280%0.798SS**  trans-144.6103.8158.8-68.20000108.3I390T388-I390 HydrophobicContact CG2-CG1 4.2Å
389V42.1Very low40.2Very low127 Ų127130.1 Ų130.177%0.7779%0.788SS**  trans-91.9107.5178.4-179.50000109.2V387V387-V389 HydrophobicContact CG1-CG2 3.76Å
390I42.8Very low40.4Very low135 Ų135130.7 Ų130.769%0.69279%0.792SS**  trans-99.2125165.9-58.1175000106.8T388 A392T388-I390 HydrophobicContact CG2-CG1 4.2Å; I390-A392 PolarHBondContact O-N 3.33Å; I390-A392 VanDerWaalsContact O-N 3.15Å
391P43.3Very low40.5Very low111 Ų111131.4 Ų131.472%0.72179%0.786SS**  trans-67.6113.2174.427.6-32.5000109.3T393P391-T393 PolarHBondContact O-N 2.8Å
392A40Very low40.5Very low102 Ų102130.8 Ų130.884%0.84379%0.785SS**PPolyproline II helixtrans-67.7116.8-175.100000111.5I390I390-A392 PolarHBondContact O-N 3.33Å; I390-A392 VanDerWaalsContact O-N 3.15Å
393T44Very low40.3Very low127 Ų127129.1 Ų129.178%0.77978%0.784SS**PPolyproline II helixtrans-79.7166.1167.944.50000111.4P391 V395P391-T393 PolarHBondContact O-N 2.8Å; T393-V395 PolarHBondContact O-N 2.9Å
394V40.7Very low40.2Very low136 Ų136128.7 Ų128.782%0.82478%0.782SS**PPolyproline II helixtrans-52.9122-176.5179.70000112.5
395V39.7Very low40.1Very low120 Ų120130.7 Ų130.773%0.72778%0.777SS**  trans-131.5104.8161.8-179.80000109.4T393T393-V395 PolarHBondContact O-N 2.9Å
396T37.3Very low40.3Very low131 Ų131132.6 Ų132.680%0.80478%0.778SS**  trans-90.5113.9158-67.90000107.6
397S47.9Very low39.9Very low106 Ų106130 Ų13074%0.74177%0.773SS**  trans-112.3132.1175.947.40000110.4
398R40.6Very low40.4Very low251 Ų251128.7 Ų128.795%0.94778%0.775SS**  trans-147.3115-176.6-162.4179.8-165.4173.35.2110
399G39.3Very low40.2Very low64 Ų64129.1 Ų129.166%0.6678%0.778SS**  trans152.9137.5168.600000115.6
400L41.5Very low40.2Very low160 Ų160131.2 Ų131.284%0.83878%0.783SS**  trans71137.3162.4-42.7175.5000116.7
401Q40Very low40Very low153 Ų153133 Ų13372%0.71579%0.788SS**  cis-162.5154.2-13-119.5-171.1130.600112
402L38.5Very low40.1Very low149 Ų149131.4 Ų131.478%0.7878%0.778SS**  trans61.4148.8155.1-9466.8000122.2
403G38.4Very low40.1Very low67 Ų67132 Ų13269%0.69178%0.776SS**  trans112.768.7166.100000115
404Q40.9Very low39.9Very low167 Ų167133.9 Ų133.978%0.7878%0.776SS**  68126.986.3-68.3-162.939.500117
405T38Very low39.9Very low129 Ų129136.8 Ų136.879%0.79178%0.781SS**  trans65.1145.1161.659.10000118.2
406S39.9Very low39.9Very low116 Ų116135.5 Ų135.581%0.81178%0.783SS**  cis-156170.2-4.4-109.50000112.5
407T33.1Very low40.2Very low135 Ų135137.2 Ų137.283%0.82878%0.781SS**  trans-92.1138.6-171.346.70000116.8
408A40.3Very low40.3Very low95 Ų95138.9 Ų138.979%0.78578%0.78SS**  trans-169.312814400000107.7
409T36.2Very low40.4Very low131 Ų131132.7 Ų132.780%0.80477%0.77SS**  cis77.883.433.5-48.70000114.9
410I42.5Very low40.8Very low171 Ų171134.9 Ų134.988%0.87777%0.771SS**  trans-142.8148.4151.7-64.3-169.8000108.9
411Q37.7Very low41.1Very low171 Ų171137.9 Ų137.980%0.79977%0.771SS**  trans-153.8-162.7-177.6-151.6-147.151.300108.6
412P45.7Very low41.2Very low78 Ų78134.8 Ų134.851%0.50677%0.767SS.*  -100.4178.6-80.140.9-31.5000115.7
413S40.4Very low41.4Very low116 Ų116134.8 Ų134.881%0.81177%0.772SS**  trans-171.2146.4136.6-77.60000109.4
414Q39Very low41.6Very low166 Ų166137.8 Ų137.878%0.77677%0.772SS**  cis100146.46.7-58.6-149.275.600118.7
415Q40.3Very low41.4Very low197 Ų197138 Ų13892%0.92177%0.773SS**  trans73.1141.2-175.2-53.8-176.823.800114.4
416A40.7Very low41.5Very low93 Ų93136.7 Ų136.777%0.76978%0.775SS**  cis-162.4172.91.400000110.2
417Q42.9Very low41.3Very low167 Ų167135.9 Ų135.978%0.7878%0.775SS**  cis-177.3153.9-38-149.6-172.422.200109.8
418I50.1Low41.4Very low140 Ų140134.6 Ų134.672%0.71878%0.778SS**  trans71.5144.5165.3-42.1163000113.6
419V42.8Very low41.2Very low122 Ų122135 Ų13574%0.73978%0.782SS**  cis-13912530.81790000109.7
420T48.1Very low41.4Very low109 Ų109133.5 Ų133.567%0.66978%0.783SS**  55136.1100.5-16.70000115.5
421R47.3Very low41.3Very low223 Ų223130.3 Ų130.384%0.84278%0.782SS**  cis-162.4149.826.1-161.8161.9-167.2147.11.9114.9
422S41.9Very low41.2Very low89 Ų89127.4 Ų127.462%0.62279%0.787SS**  trans25.9130.8154.9-57.10000123.7
423V42.5Very low41.1Very low148 Ų148128.6 Ų128.690%0.89780%0.803SS**  -143.7129.4109.5147.30000110
424L42.2Very low41.2Very low131 Ų131127.7 Ų127.769%0.68680%0.803SS**  trans-93.6174.4176.1-95.361.5000109
425Q36.7Very low41.5Very low172 Ų172125.3 Ų125.380%0.80481%0.805SS**  cis177.5121.3-15.3163.9-174-33.700107.8
426A41.6Very low42.1Very low100 Ų100123.8 Ų123.883%0.82680%0.799SS**  trans-178.4144.4160.700000109.9
427A36Very low42.3Very low100 Ų100127.9 Ų127.983%0.82680%0.803SS**  cis-152.3146.7-19.500000108.8
428A35.2Very low42.8Very low107 Ų107127.9 Ų127.988%0.88481%0.807SS**  trans-14383.8179.500000111.3
429A36Very low43.6Very low104 Ų104126.3 Ų126.386%0.8681%0.806SS**  trans-166.483.4170.400000112.5
430A39.2Very low44.8Very low100 Ų100126 Ų12683%0.82681%0.807SS**  trans-149.376.8161.400000107.5
431A40.1Very low45.6Very low103 Ų103126.5 Ų126.585%0.85181%0.812SS**  71.411484.500000111.9
432A37.2Very low45.6Very low110 Ų110127.4 Ų127.491%0.90982%0.815SS**  trans-84.5125.5-169.700000112.9
433A43.7Very low46.2Very low103 Ų103131 Ų13185%0.85183%0.827SS**  trans-163.473.9167.800000113
434A41.6Very low46.8Very low97 Ų97131.8 Ų131.880%0.80282%0.821SS**  trans-158.135.3173.200000115.2M436A434-M436 PolarHBondContact O-N 3.45Å
435S45.6Very low48Very low117 Ų117130.7 Ų130.782%0.81882%0.821SS**  trans-79.374.9-178.1-57.90000113
436M52.4Low49.6Very low164 Ų164128 Ų12881%0.80882%0.818SS**  trans-133.270.8176.6-76.1-64.4155.300114.2A434A434-M436 PolarHBondContact O-N 3.45Å
437Q45Very low50.6Low180 Ų180128.5 Ų128.584%0.84181%0.814SS**  36.296.5126.9-170.2172-0.300119.1
438L52.9Low51.1Low167 Ų167132.1 Ų132.187%0.87482%0.818SS**  trans-126137.9147.5-103.990.5000110.2
439P67.5Low52Low106 Ų106136.3 Ų136.369%0.68882%0.819SS**  trans-86157.9179.634.8-35.3000112.9
440P69Low52.7Low116 Ų116140.1 Ų140.175%0.75382%0.819SS**  trans-72.1146.9175.430.5-35.3000112.2R442P440-R442 PolarHBondContact O-N 3.49Å; P440-R442 VanDerWaalsContact O-N 3.11Å
441P64.3Low53.2Low120 Ų120143.9 Ų143.978%0.77982%0.822SS**  trans-72.1105.2176.929.3-33.8000110.7L443P441-L443 PolarHBondContact O-N 3.17Å
442R47.1Very low53.5Low241 Ų241144.5 Ų144.591%0.90982%0.817SS**  trans-77.687175.3-169.5-178.2-174.7176.93.1110.7P440 Q444P440-R442 PolarHBondContact O-N 3.49Å; P440-R442 VanDerWaalsContact O-N 3.11Å; R442-Q444 PolarHBondContact O-N 3.49Å
443L54.6Low54.2Low165 Ų165147.6 Ų147.686%0.86481%0.813SS**PPolyproline II helixtrans-63.8122.9168.8-78.7167.7000110.2P441P441-L443 PolarHBondContact O-N 3.17Å
444Q54.9Low55Low165 Ų165148 Ų14877%0.77181%0.806SS**PPolyproline II helixtrans-95.5135.3-173.2179.6-180-38.600109.7R442R442-Q444 PolarHBondContact O-N 3.49Å
445P67.8Low55.6Low107 Ų107149 Ų14970%0.69581%0.805SS**PPolyproline II helixtrans-65.7143172.828.3-34.2000110.3
446P69.7Low55.3Low115 Ų115149 Ų14975%0.74780%0.8SS**PPolyproline II helixtrans-64.6146.7178.127.5-34.5000111.1
447P63.9Low54.9Low112 Ų112150 Ų15073%0.72780%0.803SS**PPolyproline II helixtrans-68.2145.5179.129.3-35000111.5Q449P447-Q449 PolarHBondContact O-N 3Å; P447-Q449 VanDerWaalsContact O-N 3.15Å
448L44.7Very low55Low175 Ų175148.9 Ų148.992%0.91680%0.798SS**  trans-64.9111.1173.7-65.5172.5000110.2
449Q54.9Low54.2Low195 Ų195149.8 Ų149.891%0.91180%0.798SS**  trans-83.6128.3162.7-77.5-1558900110.3P447P447-Q449 PolarHBondContact O-N 3Å; P447-Q449 VanDerWaalsContact O-N 3.15Å
450Q51.1Low53.3Low185 Ų185150.8 Ų150.886%0.86480%0.801SS**  trans-110.287.2-170.8-178.5-170.512.700110.6
451M48.8Very low51.7Low179 Ų179151.4 Ų151.488%0.88280%0.803SS**  trans-171.5153.4166.9-119178.9-73.200112.3
452P47.8Very low50.9Low115 Ų115152.2 Ų152.275%0.74780%0.8SS**  cis-114158.9-39.5129.7000111
453Q51.5Low50.4Low176 Ų176148.2 Ų148.282%0.82280%0.795SS**PPolyproline II helixtrans-74.2144.5170.8-71.9-169.34.200111.5
454P59.8Low49.9Very low110 Ų110148.7 Ų148.771%0.71479%0.793SS**PPolyproline II helixtrans-67.2145160.831-33.7000110
455P55.3Low49.6Very low120 Ų120149 Ų14978%0.77980%0.795SS**PPolyproline II helixtrans-71138-171.627.8-35.1000113.1Q457P455-Q457 PolarHBondContact O-N 3.22Å; P455-Q457 VanDerWaalsContact O-N 3.1Å
456T38Very low49Very low115 Ų115149 Ų14971%0.70680%0.795SS**  trans-68.799.8169.250.10000110.9
457Q45.1Very low48.4Very low185 Ų185148.1 Ų148.186%0.86479%0.789SS**  trans-82.7116164.3-88.3-7388.300109.9P455P455-Q457 PolarHBondContact O-N 3.22Å; P455-Q457 VanDerWaalsContact O-N 3.1Å
458Q46Very low47.3Very low158 Ų158147.6 Ų147.674%0.73879%0.786SS**  trans-83136.5-179-66.6175.4-12.700111.4V460Q458-V460 PolarHBondContact O-N 2.71Å
459Q37.1Very low47.5Very low186 Ų186147.2 Ų147.287%0.86978%0.783SS**  trans28.792.7138.8-170.7178.749.200117.6
460V47.9Very low46.8Very low126 Ų126146.2 Ų146.276%0.76478%0.779SS**  trans-136.6118.3145.9-160.70000109.8Q458 I462Q458-V460 PolarHBondContact O-N 2.71Å; V460-I462 HydrophobicContact CG1-CG1 4.4Å; V460-I462 PolarHBondContact O-N 3.01Å
461T36.6Very low46.2Very low130 Ų130141.8 Ų141.880%0.79877%0.774SS**  trans-79.3106.3174.8-58.10000110
462I45.4Very low46.2Very low137 Ų137141.9 Ų141.970%0.70377%0.774SS**  trans-131.9127.3163.9-67.2-175.1000109.2V460V460-I462 HydrophobicContact CG1-CG1 4.4Å; V460-I462 PolarHBondContact O-N 3.01Å
463L38.5Very low46.2Very low157 Ų157145.1 Ų145.182%0.82278%0.779SS**  trans-77.3131.5170.9-59.5179.7000110
464Q42.6Very low45.8Very low174 Ų174145.6 Ų145.681%0.81378%0.782SS**  trans-150.8111.9155.3-142.1118125.600112.1
465Q49.2Very low45.6Very low172 Ų172145.7 Ų145.780%0.80478%0.782SS**  trans-100134.7166.4177.3-168.57.100108.7
466P56.1Low45.1Very low107 Ų107144.4 Ų144.470%0.69577%0.774SS**  trans-137.2161.7150.938-25.7000113
467P55.5Low45.2Very low96 Ų96145.3 Ų145.362%0.62378%0.782SS**  cis-131.7151.7-38.537.3-24.3000112.4
468P42.5Very low45.1Very low102 Ų102144.6 Ų144.666%0.66278%0.779SS**  trans-86.1111166.332.6-29000110.4
469L46.9Very low44.6Very low166 Ų166146.7 Ų146.787%0.86979%0.785SS**  trans-95.8118.8167.7-69.7-175.4000110.7
470Q40.3Very low44.7Very low174 Ų174143.5 Ų143.581%0.81378%0.778SS**  trans-98.1169.3179.2-61.6179.3-9.600111.3
471A38.9Very low44.3Very low93 Ų93148.7 Ų148.777%0.76978%0.784SS**  trans63.191.9154.100000119.2
472M49.8Very low44.6Very low180 Ų180149.4 Ų149.489%0.88778%0.781SS**  -163.295118-105166.760.500108.5
473Q46.5Very low44Very low183 Ų183148.7 Ų148.786%0.85578%0.779SS**  92.9105.679.7-174156.588.600111.9
474Q44Very low44.1Very low186 Ų186148.1 Ų148.187%0.86978%0.776SS**PPolyproline II helixtrans-76.2147.1-177.4-69.4-178.6-9.700113.4
475P55Low43.7Very low112 Ų112147.9 Ų147.973%0.72778%0.775SS**PPolyproline II helixtrans-93.6158145.1-10.629.6000112.3
476P45.8Very low43.3Very low94 Ų94147.3 Ų147.361%0.6177%0.773SS**PPolyproline II helixtrans-80.6163-172.533-37.2000114.4Q478P476-Q478 PolarHBondContact O-N 3.32Å
477P38.6Very low42.6Very low134 Ų134149.2 Ų149.287%0.8777%0.772SS**  trans-69.5102.3-177.928.3-35.7000112.5
478Q43.5Very low42.3Very low170 Ų170149.8 Ų149.879%0.79478%0.776SS**  trans-86.4127.5177.4-66.3-158.11.100112.9P476 V480P476-Q478 PolarHBondContact O-N 3.32Å; Q478-V480 PolarHBondContact O-N 2.93Å; Q478-V480 VanDerWaalsContact O-N 3.14Å
479K35.8Very low42.4Very low202 Ų202149.9 Ų149.988%0.87878%0.776SS**  trans-86.777.7-162.2-171.5175.1-175.3171.30112.1R481K479-R481 PolarHBondContact O-N 3.13Å
480V40Very low42.2Very low119 Ų119145.9 Ų145.972%0.72176%0.76SS**  trans-74.493.7175.8-178.40000110.6Q478 I482Q478-V480 PolarHBondContact O-N 2.93Å; Q478-V480 VanDerWaalsContact O-N 3.14Å; V480-I482 VanDerWaalsContact C-N 3.34Å; V480-I482 HydrophobicContact CG1-CD1 3.79Å; V480-I482 HydrophobicContact CG1-CG1 3.84Å; V480-I482 PolarHBondContact O-N 2.89Å; V480-I482 VanDerWaalsContact O-N 3.1Å
481R38.1Very low42.2Very low235 Ų235145 Ų14589%0.88776%0.761SS**  trans-80.974.2175.4-173.7-171.5-179.7146.41.8110.8K479K479-R481 PolarHBondContact O-N 3.13Å
482I43.7Very low42Very low144 Ų144148.1 Ų148.174%0.73876%0.759SS**  trans-86.1111.9166.4-73.3170.8000108.6V480V480-I482 VanDerWaalsContact C-N 3.34Å; V480-I482 HydrophobicContact CG1-CD1 3.79Å; V480-I482 HydrophobicContact CG1-CG1 3.84Å; V480-I482 PolarHBondContact O-N 2.89Å; V480-I482 VanDerWaalsContact O-N 3.1Å
483N31.9Very low41.8Very low122 Ų122147 Ų14765%0.65276%0.755SS**  trans-84111.2177.6177.212.6000109.4Q485N483-Q485 WeakPolarHBondContact OD1-CB 3.38Å; N483-Q485 PolarHBondContact OD1-N 3.36Å
484L40.8Very low41.3Very low145 Ų145146.1 Ų146.176%0.75975%0.748SS**  trans-126.460.3163.2-153.570.1000111.1Q486L484-Q486 PolarHBondContact O-N 3.4Å
485Q35.9Very low40.8Very low170 Ų170142.6 Ų142.679%0.79474%0.744SS**  trans-6278.3160.7178.6117.35700110.1N483N483-Q485 WeakPolarHBondContact OD1-CB 3.38Å; N483-Q485 PolarHBondContact OD1-N 3.36Å
486Q39.7Very low40.1Very low160 Ų160143.1 Ų143.175%0.74875%0.745SS**  trans-118.281.1169.8-163133.4100.500109.5L484L484-Q486 PolarHBondContact O-N 3.4Å
487Q42.5Very low39.7Very low147 Ų147143.9 Ų143.969%0.68775%0.75SS**PPolyproline II helixtrans-51.6129.4165.4174.7179.1-10.300108.9
488P49Very low39.6Very low108 Ų108144.5 Ų144.570%0.70175%0.745SS**PPolyproline II helixtrans-59135.4172.726.2-33.4000108.1
489P44.4Very low39.8Very low103 Ų103142 Ų14267%0.66974%0.744SS**PPolyproline II helixtrans-59.2136.3-172.624.3-33.9000109.5L491P489-L491 PolarHBondContact O-N 2.79Å; P489-L491 VanDerWaalsContact O-N 3.07Å
490P41.7Very low39.7Very low83 Ų83137.7 Ų137.754%0.53973%0.734SS.*PPolyproline II helixtrans-59.1120.5165.926.7-31.8000106.7Q492P490-Q492 HydrophobicContact CB-CG 4.37Å; P490-Q492 HydrophobicContact CG-CG 4.31Å; P490-Q492 PolarHBondContact O-N 3.35Å
491L40.5Very low39.8Very low156 Ų156139.3 Ų139.382%0.81774%0.738SS**  trans-69.781.8169.1-78.2178.3000108.1P489 I493P489-L491 PolarHBondContact O-N 2.79Å; P489-L491 VanDerWaalsContact O-N 3.07Å; L491-I493 PolarHBondContact O-N 3.06Å
492Q34.7Very low39.9Very low157 Ų157136.6 Ų136.673%0.73473%0.733SS**  trans-65.876.5164.9-64.2177.9100107.4P490 K494P490-Q492 HydrophobicContact CB-CG 4.37Å; P490-Q492 HydrophobicContact CG-CG 4.31Å; P490-Q492 PolarHBondContact O-N 3.35Å; Q492-K494 PolarHBondContact O-N 3.02Å
493I45.9Very low39.6Very low156 Ų156138 Ų13880%0.874%0.738SS**  trans-66.385.4161.1-60.8-178.9000104.9L491 S495L491-I493 PolarHBondContact O-N 3.06Å; I493-S495 PolarHBondContact O-N 3.41Å
494K35.1Very low40Very low165 Ų165141 Ų14172%0.71775%0.748SS**  trans-63.4128.2-171.4177.6151.656.7-174.80108.1Q492 V496Q492-K494 PolarHBondContact O-N 3.02Å; K494-V496 PolarHBondContact O-N 3.38Å
495S35.4Very low39.6Very low112 Ų112139.7 Ų139.778%0.78375%0.747SS**  trans-56.1100.8167.3-48.40000108.3I493 P497I493-S495 PolarHBondContact O-N 3.41Å; S495-P497 WeakPolarHBondContact O-CD 3.44Å
496V39.4Very low39.8Very low124 Ų124138 Ų13875%0.75275%0.748SS**  trans-82.2113.8171.2177.40000106.2K494K494-V496 PolarHBondContact O-N 3.38Å
497P37.8Very low39.7Very low109 Ų109137 Ų13771%0.70875%0.747SS**  trans-67.8147-179.2-18.633.3000111.2S495 P499S495-P497 WeakPolarHBondContact O-CD 3.44Å; P497-P499 WeakPolarHBondContact O-CD 3.41Å
498L37Very low39.7Very low147 Ų147136.1 Ų136.177%0.7775%0.752SS**  trans-57.8118.5174-174.173000110.8T500L498-T500 VanDerWaalsContact C-N 3.34Å; L498-T500 PolarHBondContact O-N 3.01Å
499P46.2Very low39.3Very low118 Ų118136.6 Ų136.677%0.76676%0.755SS**  trans-81.680.1175.532.7-33000110.5P497 L501P497-P499 WeakPolarHBondContact O-CD 3.41Å; P499-L501 PolarHBondContact O-N 3.04Å
500T34.3Very low39.5Very low111 Ų111137.2 Ų137.268%0.68176%0.759SS**  trans-71.588176-54.90000111.2L498L498-T500 VanDerWaalsContact C-N 3.34Å; L498-T500 PolarHBondContact O-N 3.01Å
501L41.7Very low39.1Very low154 Ų154139.5 Ų139.581%0.80677%0.771SS**  trans-131.196.2167.3-77.7-179.7000112.4P499P499-L501 PolarHBondContact O-N 3.04Å
502K40.4Very low39.1Very low177 Ų177138.1 Ų138.177%0.7777%0.769SS**  trans31.4124131.7-62.2176.7177.61790118.2
503M37.7Very low39.3Very low173 Ų173138.6 Ų138.685%0.85277%0.771SS**  35.6122.7127.3-53.316582.300116.1
504Q39.7Very low39.2Very low185 Ų185136.3 Ų136.386%0.86477%0.769SS**  -164.1152.867.1-166.715221.700114.2
505T33.5Very low40.1Very low118 Ų118133.7 Ų133.772%0.72477%0.772SS**  trans-58.9139.5172.9-51.40000113.7
506T38.6Very low40.9Very low135 Ų135133.5 Ų133.583%0.82877%0.768SS**  trans-163.6105136.9-73.40000112.4
507L37.9Very low41.1Very low139 Ų139134.7 Ų134.773%0.72877%0.765SS**  trans15.3155.9136.6-127.871.9000125
508V42.8Very low41.6Very low128 Ų128139.2 Ų139.278%0.77677%0.768SS**  trans72.4147.7157.7-70.80000122.3
509P40.8Very low42Very low118 Ų118136.7 Ų136.777%0.76676%0.761SS**  trans-129.6-131.1-153.334.6-7.2000114.5
510P48.3Very low41.8Very low117 Ų117139.7 Ų139.776%0.7677%0.767SS**  -122.5156.1-120.638.9-20.5000116.9
511T34.3Very low42.4Very low130 Ų130141.7 Ų141.780%0.79877%0.773SS**  trans-151.1128.2175.7-55.70000112.8
512V40.7Very low42.3Very low127 Ų127141 Ų14177%0.7777%0.771SS**  trans14.6157162.9-47.20000122.4
513E38.1Very low42.8Very low167 Ų167138 Ų13878%0.7877%0.771SS**  -174.8134.575.8-172.6163.183.800114.9
514S44.2Very low43Very low108 Ų108135 Ų13576%0.75577%0.765SS**  trans44.4167147.3-49.50000122.4
515S54Low43.4Very low111 Ų111135.6 Ų135.678%0.77677%0.768SS**  cis-156.5-172.812.8-133.10000111.5
516P52.3Low43.4Very low108 Ų108134.2 Ų134.270%0.70177%0.768SS**  -139.6-146.3-125.242-17000117
517E43.7Very low43.6Very low149 Ų149136.5 Ų136.570%0.69677%0.769SS**  trans94.4143.4167.6-50.6-145109.100117.9
518R46.4Very low43.5Very low204 Ų204135.6 Ų135.677%0.7777%0.769SS**  cis-170.8177.4-15.5-106.9-164.3-159.6-108.7-1.8108.8
519P45.8Very low43.3Very low94 Ų94135.9 Ų135.961%0.6177%0.772SS**  -142-174.4-68.743.5-22.3000116.7
520M42.1Very low43.2Very low181 Ų181139.5 Ų139.589%0.89278%0.778SS**  trans70.2119.5152-72.1169.8174.900123.9
521N46.8Very low42.6Very low153 Ų153138.3 Ų138.382%0.81878%0.778SS**  -165.2172.4105.7-157.22.6000112
522N40.5Very low42.9Very low140 Ų140139 Ų13975%0.74978%0.782SS**  trans-80178.1-172.1-60-81.9000113.9
523S49.7Very low42.8Very low112 Ų112137.9 Ų137.978%0.78378%0.78SS**  cis-159.8160.418.9-154.90000113.8
524P43.2Very low43.4Very low111 Ų111134.6 Ų134.672%0.72177%0.773SS**  trans-121.3158175.940.8-29.8000115.7
525E47Very low43.2Very low198 Ų198138 Ų13893%0.92578%0.777SS**  trans-149.9161.7159-72.8-158.487.200110.8
526A35.1Very low42.7Very low89 Ų89138.9 Ų138.974%0.73678%0.778SS**  trans-155.4142.2-170.400000116.1
527H42.4Very low42.4Very low183 Ų183140.5 Ų140.585%0.84778%0.779SS**  trans-159.9160.5171.7-72.2-58.2000109.5
528T35.8Very low42.4Very low119 Ų119138.9 Ų138.973%0.7378%0.783SS**  cis-162.2156.1-27.8-81.20000106.9
529V37.7Very low42.3Very low135 Ų135136.7 Ų136.782%0.81878%0.782SS**  trans-71153.9-179-76.50000115.8
530E39.5Very low42.2Very low194 Ų194139.3 Ų139.391%0.90779%0.787SS**  trans-154.5164132.6-161153.791.900110.5
531A34.8Very low42.6Very low92 Ų92137.6 Ų137.676%0.7678%0.78SS**  trans-154.5151.6-17500000113.3
532T41Very low42.4Very low143 Ų143136.4 Ų136.488%0.87778%0.779SS**  trans-146.1159173.5-42.80000111.3
533S39Very low42.4Very low104 Ų104136.4 Ų136.473%0.72778%0.779SS**  trans-139.9-156.8-167.1-156.80000111.6
534P50.6Low42.6Very low98 Ų98137 Ų13764%0.63678%0.777SS**  -132.1-169.2-99.145.2-29000117.2
535E39.7Very low42.5Very low181 Ų181137.8 Ų137.885%0.84678%0.78SS**  trans72.4143.5156.2-66.8-172.9119.800122.5
536T43.4Very low42.6Very low129 Ų129134 Ų13479%0.79177%0.773SS**  trans-173106.2140.4-75.10000114.2
537I46.4Very low42.8Very low142 Ų142138.5 Ų138.573%0.72878%0.778SS**  trans45.2122.7132.4-44173.4000123.6
538C42.8Very low42.9Very low114 Ų114136 Ų13677%0.7778%0.775SS**  165.6114.2124.6-95.50000109.5
539E44.7Very low43.2Very low159 Ų159138.7 Ų138.774%0.74378%0.78SS**  55.9134.575.3-73.6-161.798.600114.7
540M44.2Very low43.4Very low148 Ų148137.3 Ų137.373%0.72978%0.776SS**  cis-167.1155.2-0.341.9168.2162.900109.1
541I50.9Low43.6Very low145 Ų145133.1 Ų133.174%0.74477%0.766SS**  172.9150.7102-86.6159.3000110.9
542T42.5Very low43.8Very low128 Ų128134 Ų13479%0.78577%0.766SS**  trans-50.8173.8171480000117.4
543D39.3Very low43.9Very low141 Ų141135.7 Ų135.775%0.75476%0.764SS**  cis178.8154.7-19176.9-93.2000106.4
544V53.9Low44.3Very low123 Ų123137.9 Ų137.975%0.74577%0.765SS**  trans165.9129.9146.1149.10000111.6
545V42.3Very low44Very low129 Ų129141 Ų14178%0.78278%0.776SS**  trans-142.3142163.6177.40000107.8
546P48.5Very low44Very low118 Ų118137.8 Ų137.877%0.76677%0.769SS**  trans-139.5133.9131.830.8-14.6000115.4
547E40.1Very low44.1Very low183 Ų183140.8 Ų140.886%0.85577%0.774SS**  trans-43.9144.5159.2173-177.399.200116.3
548V43.4Very low43.8Very low130 Ų130140.7 Ų140.779%0.78877%0.774SS**  trans-159.6106.8146.358.70000112.1
549E42.8Very low43.9Very low176 Ų176141.4 Ų141.482%0.82278%0.775SS**  44.7105.3128.5-148.8171.197.900120.2
550S41.5Very low43.5Very low107 Ų107139.5 Ų139.575%0.74878%0.779SS**  99.3171.379.1-127.80000113.2
551P43.9Very low43.5Very low106 Ų106135.9 Ų135.969%0.68878%0.779SS**  -136.6-169.6-113.339.2-17.2000116.3
552S40Very low43.1Very low110 Ų110134.5 Ų134.577%0.76978%0.782SS**  trans72.5111.9157.467.80000119.7
553Q42.9Very low43.3Very low178 Ų178134.2 Ų134.283%0.83278%0.783SS**  -140.1143.3128.2-163.2140.8114.700109.6
554M46.4Very low43.7Very low150 Ų150134.1 Ų134.174%0.73979%0.787SS**  trans-80.9152.3173.557.5-79160.500111
555D44.5Very low43.2Very low163 Ų163132.6 Ų132.687%0.87279%0.787SS**  trans-146.8163.8131.2-140.6-62.1000109.7
556V39.8Very low43.8Very low115 Ų115134.4 Ų134.470%0.69779%0.792SS**  trans-141.8103.3-160.5-179.60000111.2
557E44.4Very low44Very low192 Ų192133.7 Ų133.790%0.89779%0.79SS**  trans-134.4107.1163.9-142.4173.479.600115.6
558L42Very low45.5Very low139 Ų139130.6 Ų130.673%0.72879%0.785SS**  trans31.6115.4147.7-75.578.9000123.4
559V42.9Very low46.8Very low129 Ų129132.2 Ų132.278%0.78278%0.784SS**  70.998.7118.2-178.90000120.2
560S38.3Very low48.7Very low120 Ų120128.5 Ų128.584%0.83978%0.775SS**  61.9112.2127.6-178.60000121.4
561G43.1Very low51Low71 Ų71132.6 Ų132.673%0.73278%0.775SS**  trans-164.662170.900000119.3
562S43.6Very low53.4Low116 Ų116127.8 Ų127.881%0.81174%0.743SS**  trans61.9154.5161.9-70.80000120.3
563P46.8Very low56Low123 Ų123125.5 Ų125.580%0.79972%0.724SS**  trans-76.5132.216831.8-33.1000110.9A565P563-A565 PolarHBondContact O-N 3.17Å
564V46.3Very low58.4Low138 Ų138120 Ų12084%0.83670%0.696SS**  trans-67.9117.6169.8176.80000108.7L566V564-L566 PolarHBondContact O-N 2.83Å
565A43.8Very low60.5Low91 Ų91117.7 Ų117.775%0.75270%0.695SS**  trans-67.7113.2172.300000109.1P563 S567P563-A565 PolarHBondContact O-N 3.17Å; A565-S567 PolarHBondContact O-N 3.45Å
566L54Low62.6Low168 Ų168113.7 Ų113.788%0.8869%0.692SS**  trans-54.9112.2171-81.2149.1000109.1V564V564-L566 PolarHBondContact O-N 2.83Å
567S54.4Low65.1Low103 Ų103109 Ų10972%0.7266%0.664SS**  trans-57.7128.5173.8-171.20000108.5A565 Q569A565-S567 PolarHBondContact O-N 3.45Å; S567-Q569 PolarHBondContact O-N 2.96Å
568P71.3Confident67.4Low117 Ų117108.4 Ų108.476%0.7666%0.662SS**  trans-64.5111.6-177.326.2-33.3000108.8
569Q69.5Low69.7Low165 Ų165106.6 Ų106.677%0.77165%0.653SS**  trans-55.8139.8173.4-73.9-164.5-1.600109.3S567 R571S567-Q569 PolarHBondContact O-N 2.96Å; Q569-R571 PolarHBondContact O-N 2.88Å
570P82.7Confident72Confident97 Ų97104.3 Ų104.363%0.6364%0.641SS**  trans-59.6130.1174.527.1-33.9000108.4P581P570-P581 VanDerWaalsContact C-CD 3.48Å; P570-P581 HydrophobicContact CB-CG 4.2Å; P570-P581 WeakPolarHBondContact O-CD 3.21Å
571R90.9Very high74.7Confident194 Ų19499.8 Ų99.873%0.73261%0.608SS**  trans-111.4155.6173.163.5179.2177.5-176.9-2.2108.8Q569 V573Q569-R571 PolarHBondContact O-N 2.88Å; R571-V573 PolarHBondContact O-N 3.07Å
572C94.5Very high77Confident4 Ų4100.5 Ų100.53%0.02759%0.594CS.*  trans-53.7132.7176.7-177.30000111.9R574 C577 N579 E590 C592C572-R574 PolarHBondContact O-N 3.21Å; C572-R574 VanDerWaalsContact O-N 3.16Å; C572-C577 HydrophobicContact CB-CB 3.98Å; C572-N579 WeakPolarHBondContact CB-O 3.07Å; C572-N579 PolarHBondContact N-O 2.94Å; C572-E590 WeakPolarHBondContact CA-O 3.35Å; C572-C592 HydrophobicContact CB-CB 4.14Å
573V93.8Very high79.2Confident62 Ų62101.3 Ų101.338%0.37659%0.594SS.*SBendtrans-61.8-21.7-179.7167.30000113.1R571 S575 E590 Y591R571-V573 PolarHBondContact O-N 3.07Å; V573-S575 PolarHBondContact O-N 3.5Å; V573-E590 HydrophobicContact CB-CB 4.41Å; V573-E590 HydrophobicContact CG2-CB 3.77Å; V573-E590 HydrophobicContact CG2-CG 4.08Å; V573-E590 PolarHBondContact N-O 3.26Å; V573-Y591 HydrophobicContact CB-CE1 3.96Å; V573-Y591 HydrophobicContact CG1-CE1 4.22Å
574R92.8Very high81Confident62 Ų6296.4 Ų96.423%0.23456%0.563CS.*SBendtrans-67.5120.1175.8-178.4174.2162.2-114.3-14.6111.3C572 G576 C577 C596 H600C572-R574 PolarHBondContact O-N 3.21Å; C572-R574 VanDerWaalsContact O-N 3.16Å; R574-G576 PolarHBondContact O-N 3.15Å; R574-C577 HydrophobicContact CB-CB 4.32Å; R574-C577 WeakPolarHBondContact O-CB 3.22Å; R574-C577 PolarHBondContact O-N 2.89Å; R574-C596 HydrophobicContact CB-CB 4.14Å; R574-C596 WeakPolarHBondContact CD-O 3.25Å; R574-C596 PolarHBondContact NH1-SG 2.83Å; R574-C596 VanDerWaalsContact NH1-SG 3.4Å; R574-H600 HydrophobicContact CB-CB 4.12Å; R574-H600 HydrophobicContact CG-CB 4.27Å
575S90.2Very high83Confident102 Ų10299.6 Ų99.671%0.71357%0.565SS**THydrogen-bonded Turntrans-53130.3173.7-48.50000112V573V573-S575 PolarHBondContact O-N 3.5Å
576G90.2Very high85.2Confident80 Ų80102.1 Ų102.183%0.82557%0.566SS**THydrogen-bonded Turntrans77.619.8-175.600000114.7R574R574-G576 PolarHBondContact O-N 3.15Å
577C92.4Very high86.7Confident16 Ų1696 Ų9611%0.10853%0.532CS..  trans-118120.6168.1-175.70000110.4C572 R574 C592C572-C577 HydrophobicContact CB-CB 3.98Å; R574-C577 HydrophobicContact CB-CB 4.32Å; R574-C577 WeakPolarHBondContact O-CB 3.22Å; R574-C577 PolarHBondContact O-N 2.89Å; C577-C592 PolarHBondContact SG-SG 3.29Å
578E91.6Very high88.4Confident180 Ų18098 Ų9884%0.84153%0.534SS*.  trans-97.5-12-178.2-70.6159.4112.900113.2
579N90.8Very high89.2Confident100 Ų10096.3 Ų96.354%0.53552%0.519SS..SBendtrans-60.4143177.1-62.6-4.4000112C572 C592C572-N579 WeakPolarHBondContact CB-O 3.07Å; C572-N579 PolarHBondContact N-O 2.94Å; N579-C592 HydrophobicContact CB-CB 3.7Å
580P91.9Very high90.3Very high82 Ų8292.8 Ų92.853%0.53250%0.502SS..PPolyproline II helixtrans-63.9148.7171.229.1-35.4000110.6C592P580-C592 WeakPolarHBondContact O-CB 3.4Å
581P93.3Very high90.9Very high25 Ų2589.1 Ų89.116%0.16248%0.476CS..PPolyproline II helixtrans-61.3151.1171.7-23.735000112.8P570 N589P570-P581 VanDerWaalsContact C-CD 3.48Å; P570-P581 HydrophobicContact CB-CG 4.2Å; P570-P581 WeakPolarHBondContact O-CD 3.21Å; P581-N589 WeakPolarHBondContact CB-O 3.36Å; P581-N589 WeakPolarHBondContact CG-O 3.49Å
582I91.6Very high91.1Very high85 Ų8580.6 Ų80.644%0.43645%0.446SS..PPolyproline II helixtrans-97.5146.4170.358.6169.1000109.8S584 W587 Y591I582-S584 PolarHBondContact O-N 3.33Å; I582-W587 HydrophobicContact CD1-CZ2 4.09Å; I582-W587 HydrophobicContact CG1-CZ2 4.23Å; I582-Y591 WeakPolarHBondContact CG1-O 3.46Å; I582-Y591 PolarHBondContact N-O 3.46Å
583V90Very high91.1Very high134 Ų13482.1 Ų82.181%0.81246%0.457SS*.PPolyproline II helixtrans-64.8119.9176.4179.40000108.8N589V583-N589 VanDerWaalsContact CA-OD1 3.26Å; V583-N589 WeakPolarHBondContact CA-OD1 3.23Å
584S85Confident91.1Very high20 Ų2083.9 Ų83.914%0.1446%0.464CS..  trans-154.1129.4-177.3-179.60000111.7I582 D586 W587 D588 N589I582-S584 PolarHBondContact O-N 3.33Å; S584-D586 PolarHBondContact O-N 2.88Å; S584-D586 PolarHBondContact OG-N 3.46Å; S584-W587 WeakPolarHBondContact OG-CZ2 3.34Å; S584-D588 PolarHBondContact O-N 2.99Å; S584-N589 PolarHBondContact N-OD1 3.43Å; S584-N589 PolarHBondContact O-OD1 3.35Å
585K89.2Confident91.2Very high204 Ų20486.6 Ų86.689%0.88748%0.479SS*.THydrogen-bonded Turntrans-72.9-10.7179.8-165.8165.7-177.71690113.5
586D88.3Confident91.5Very high144 Ų14482.1 Ų82.177%0.7745%0.448SS*.THydrogen-bonded Turntrans-94.1-11.1-179.2-69.3-67.4000113.8S584S584-D586 PolarHBondContact O-N 2.88Å; S584-D586 PolarHBondContact OG-N 3.46Å
587W87Confident91.7Very high41 Ų4179.5 Ų79.516%0.15542%0.416CS..THydrogen-bonded Turntrans-153.234.9-176.857.874000114.9I582 S584 N589 E590 Y591 N594 V597I582-W587 HydrophobicContact CD1-CZ2 4.09Å; I582-W587 HydrophobicContact CG1-CZ2 4.23Å; S584-W587 WeakPolarHBondContact OG-CZ2 3.34Å; W587-N589 PolarHBondContact O-N 3.05Å; W587-E590 WeakPolarHBondContact O-CB 3.49Å; W587-E590 PolarHBondContact O-N 3.26Å; W587-Y591 HydrophobicContact CB-CD2 3.79Å; W587-Y591 HydrophobicContact CB-CE2 4.17Å; W587-Y591 AromaticContact CD1-CD2 3.66Å; W587-Y591 AromaticContact CG-CD2 3.8Å; W587-Y591 HydrophobicContact CG-CD2 3.8Å; W587-Y591 PolarHBondContact NE1-O 2.97Å; W587-Y591 VanDerWaalsContact NE1-O 3.16Å; W587-N594 HydrophobicContact CH2-CB 4.43Å; W587-V597 HydrophobicContact CB-CG2 4.45Å; W587-V597 HydrophobicContact CD2-CG2 3.71Å; W587-V597 HydrophobicContact CE3-CG2 3.85Å; W587-V597 HydrophobicContact CG-CG2 4.02Å; W587-V597 HydrophobicContact CZ3-CG2 4.4Å
588D88.9Confident91.9Very high145 Ų14582.7 Ų82.778%0.77544%0.435SS*.THydrogen-bonded Turntrans46.732.6170.1-67.9-75.1000115.5S584 E590S584-D588 PolarHBondContact O-N 2.99Å; D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.1Å
589N89.1Confident92Very high81 Ų8178 Ų7843%0.43341%0.411SS..THydrogen-bonded Turntrans58.732.3-177.6-40.3-40.8000114.3P581 V583 S584 W587P581-N589 WeakPolarHBondContact CB-O 3.36Å; P581-N589 WeakPolarHBondContact CG-O 3.49Å; V583-N589 VanDerWaalsContact CA-OD1 3.26Å; V583-N589 WeakPolarHBondContact CA-OD1 3.23Å; S584-N589 PolarHBondContact N-OD1 3.43Å; S584-N589 PolarHBondContact O-OD1 3.35Å; W587-N589 PolarHBondContact O-N 3.05Å
590E93Very high92.3Very high91 Ų9175.1 Ų75.143%0.42540%0.395SS..  trans-89.6-17.6179.3-73.1-165.2135.300115C572 V573 W587 D588C572-E590 WeakPolarHBondContact CA-O 3.35Å; V573-E590 HydrophobicContact CB-CB 4.41Å; V573-E590 HydrophobicContact CG2-CB 3.77Å; V573-E590 HydrophobicContact CG2-CG 4.08Å; V573-E590 PolarHBondContact N-O 3.26Å; W587-E590 WeakPolarHBondContact O-CB 3.49Å; W587-E590 PolarHBondContact O-N 3.26Å; D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.1Å
591Y95.5Very high92.5Very high19 Ų1974.6 Ų74.68%0.07539%0.392CS..  trans-129.9143.7-170.3-53.2-97.6000112.9V573 I582 W587 C596 V597 H600V573-Y591 HydrophobicContact CB-CE1 3.96Å; V573-Y591 HydrophobicContact CG1-CE1 4.22Å; I582-Y591 WeakPolarHBondContact CG1-O 3.46Å; I582-Y591 PolarHBondContact N-O 3.46Å; W587-Y591 HydrophobicContact CB-CD2 3.79Å; W587-Y591 HydrophobicContact CB-CE2 4.17Å; W587-Y591 AromaticContact CD1-CD2 3.66Å; W587-Y591 AromaticContact CG-CD2 3.8Å; W587-Y591 HydrophobicContact CG-CD2 3.8Å; W587-Y591 PolarHBondContact NE1-O 2.97Å; W587-Y591 VanDerWaalsContact NE1-O 3.16Å; Y591-C596 HydrophobicContact CD1-CB 4.47Å; Y591-V597 HydrophobicContact CD1-CB 4.46Å; Y591-V597 HydrophobicContact CD1-CG2 4.03Å; Y591-V597 HydrophobicContact CD2-CG2 3.73Å; Y591-V597 HydrophobicContact CE2-CG2 4.46Å; Y591-V597 HydrophobicContact CG-CB 4.39Å; Y591-V597 HydrophobicContact CG-CG2 3.5Å; Y591-H600 HydrophobicContact CE1-CB 3.84Å; Y591-H600 AromaticContact CE1-CD2 3.82Å; Y591-H600 AromaticContact CE1-CG 3.92Å; Y591-H600 AromaticContact CZ-CD2 3.95Å; Y591-H600 PolarHBondContact OH-CD2 3.03Å
592C94.1Very high92.6Very high16 Ų1681.4 Ų81.411%0.10842%0.415CS..SBendtrans-80.1-15.9179.766.10000114C572 C577 N579 P580C572-C592 HydrophobicContact CB-CB 4.14Å; C577-C592 PolarHBondContact SG-SG 3.29Å; N579-C592 HydrophobicContact CB-CB 3.7Å; P580-C592 WeakPolarHBondContact O-CB 3.4Å
593S93.5Very high92.8Very high35 Ų3581 Ų8125%0.24541%0.413CS..SBendtrans-164.2159-178.4700000111.3E595 C596 V597S593-E595 PolarHBondContact O-N 2.92Å; S593-C596 PolarHBondContact O-N 2.96Å; S593-C596 VanDerWaalsContact O-N 3.08Å; S593-C596 PolarHBondContact OG-N 3.11Å; S593-V597 PolarHBondContact O-N 3.04Å
594N94.3Very high93.1Very high100 Ų10078.2 Ų78.254%0.53540%0.397SS..Hα-helixtrans-59-36.7172.9-171.8-87.9000112W587 C596 V597 V598W587-N594 HydrophobicContact CH2-CB 4.43Å; N594-C596 VanDerWaalsContact C-N 3.29Å; N594-C596 PolarHBondContact O-N 3.46Å; N594-V597 WeakPolarHBondContact O-CB 2.94Å; N594-V597 PolarHBondContact O-N 3.07Å; N594-V598 WeakPolarHBondContact O-CG2 3.17Å; N594-V598 PolarHBondContact O-N 3.08Å
595E95.5Very high93.6Very high119 Ų11983 Ų8356%0.55642%0.415SS*.Hα-helixtrans-57.5-40.3173.3-76.5-161.575.900112.9S593 V598 K599S593-E595 PolarHBondContact O-N 2.92Å; E595-V598 PolarHBondContact O-N 2.84Å; E595-K599 VanDerWaalsContact O-CB 3.26Å; E595-K599 WeakPolarHBondContact O-CB 3.38Å; E595-K599 WeakPolarHBondContact O-CD 3.49Å; E595-K599 VanDerWaalsContact O-CG 3.27Å; E595-K599 WeakPolarHBondContact O-CG 3.47Å; E595-K599 PolarHBondContact O-N 3.17Å; E595-K599 WeakPolarHBondContact OE1-CE 3.49Å; E595-K599 IonicContact OE1-NZ 3.98Å; E595-K599 PolarHBondContact OE1-NZ 3.36Å
596C95.7Very high93.9Very high7 Ų778 Ų785%0.04740%0.397CS..Hα-helixtrans-71.1-33.7179.1-78.30000112.4R574 Y591 S593 N594 H600R574-C596 HydrophobicContact CB-CB 4.14Å; R574-C596 WeakPolarHBondContact CD-O 3.25Å; R574-C596 PolarHBondContact NH1-SG 2.83Å; R574-C596 VanDerWaalsContact NH1-SG 3.4Å; Y591-C596 HydrophobicContact CD1-CB 4.47Å; S593-C596 PolarHBondContact O-N 2.96Å; S593-C596 VanDerWaalsContact O-N 3.08Å; S593-C596 PolarHBondContact OG-N 3.11Å; N594-C596 VanDerWaalsContact C-N 3.29Å; N594-C596 PolarHBondContact O-N 3.46Å; C596-H600 WeakPolarHBondContact O-CB 3.36Å; C596-H600 PolarHBondContact O-N 2.82Å
597V95.4Very high94.2Very high25 Ų2573.8 Ų73.815%0.15238%0.383CS..Hα-helixtrans-59.9-57.1167.9-176.10000109.8W587 Y591 S593 N594 K599 H600 C601W587-V597 HydrophobicContact CB-CG2 4.45Å; W587-V597 HydrophobicContact CD2-CG2 3.71Å; W587-V597 HydrophobicContact CE3-CG2 3.85Å; W587-V597 HydrophobicContact CG-CG2 4.02Å; W587-V597 HydrophobicContact CZ3-CG2 4.4Å; Y591-V597 HydrophobicContact CD1-CB 4.46Å; Y591-V597 HydrophobicContact CD1-CG2 4.03Å; Y591-V597 HydrophobicContact CD2-CG2 3.73Å; Y591-V597 HydrophobicContact CE2-CG2 4.46Å; Y591-V597 HydrophobicContact CG-CB 4.39Å; Y591-V597 HydrophobicContact CG-CG2 3.5Å; S593-V597 PolarHBondContact O-N 3.04Å; N594-V597 WeakPolarHBondContact O-CB 2.94Å; N594-V597 PolarHBondContact O-N 3.07Å; V597-K599 VanDerWaalsContact C-N 3.34Å; V597-K599 PolarHBondContact O-N 2.98Å; V597-H600 PolarHBondContact O-N 3.38Å; V597-C601 WeakPolarHBondContact O-CB 3.17Å; V597-C601 PolarHBondContact O-N 3.17Å; V597-C601 PolarHBondContact O-SG 3.28Å
598V95.3Very high94.7Very high83 Ų8378.3 Ų78.350%0.50340%0.4SS..Hα-helixtrans-61.1-40.7-174.6172.30000112.2N594 E595 R602N594-V598 WeakPolarHBondContact O-CG2 3.17Å; N594-V598 PolarHBondContact O-N 3.08Å; E595-V598 PolarHBondContact O-N 2.84Å; V598-R602 PolarHBondContact O-N 2.98Å; V598-R602 VanDerWaalsContact O-N 3.07Å
599K95.5Very high94.9Very high81 Ų8173.5 Ų73.535%0.35238%0.376SS..Hα-helixtrans-68.6-46.3176.8-71.8165.5177.5168.30111E595 V597 C601 R602 D603E595-K599 VanDerWaalsContact O-CB 3.26Å; E595-K599 WeakPolarHBondContact O-CB 3.38Å; E595-K599 WeakPolarHBondContact O-CD 3.49Å; E595-K599 VanDerWaalsContact O-CG 3.27Å; E595-K599 WeakPolarHBondContact O-CG 3.47Å; E595-K599 PolarHBondContact O-N 3.17Å; E595-K599 WeakPolarHBondContact OE1-CE 3.49Å; E595-K599 IonicContact OE1-NZ 3.98Å; E595-K599 PolarHBondContact OE1-NZ 3.36Å; V597-K599 VanDerWaalsContact C-N 3.34Å; V597-K599 PolarHBondContact O-N 2.98Å; K599-C601 PolarHBondContact O-N 3.09Å; K599-R602 WeakPolarHBondContact O-CB 3.46Å; K599-R602 PolarHBondContact O-N 3.24Å; K599-R602 VanDerWaalsContact O-N 3.11Å; K599-D603 PolarHBondContact O-N 2.6Å; K599-D603 VanDerWaalsContact O-OD2 3.1Å
600H95.7Very high95.1Very high40 Ų4072.6 Ų72.619%0.18538%0.38CS..Hα-helixtrans-59.9-43.7175.1-178.471.5000112.7R574 Y591 C596 V597 R602 D603 V604R574-H600 HydrophobicContact CB-CB 4.12Å; R574-H600 HydrophobicContact CG-CB 4.27Å; Y591-H600 HydrophobicContact CE1-CB 3.84Å; Y591-H600 AromaticContact CE1-CD2 3.82Å; Y591-H600 AromaticContact CE1-CG 3.92Å; Y591-H600 AromaticContact CZ-CD2 3.95Å; Y591-H600 PolarHBondContact OH-CD2 3.03Å; C596-H600 WeakPolarHBondContact O-CB 3.36Å; C596-H600 PolarHBondContact O-N 2.82Å; V597-H600 PolarHBondContact O-N 3.38Å; H600-R602 VanDerWaalsContact C-N 3.29Å; H600-R602 PolarHBondContact O-N 3.35Å; H600-D603 PolarHBondContact O-N 3.06Å; H600-D603 VanDerWaalsContact O-N 3.16Å; H600-V604 WeakPolarHBondContact O-CG2 3.21Å; H600-V604 PolarHBondContact O-N 3.21Å
601C95.8Very high95.1Very high71 Ų7171.4 Ų71.448%0.4838%0.381SS..Hα-helixtrans-60.6-36.9175.1-670000112.6V597 K599 F605V597-C601 WeakPolarHBondContact O-CB 3.17Å; V597-C601 PolarHBondContact O-N 3.17Å; V597-C601 PolarHBondContact O-SG 3.28Å; K599-C601 PolarHBondContact O-N 3.09Å; C601-F605 VanDerWaalsContact O-CB 3.25Å; C601-F605 WeakPolarHBondContact O-CB 3.15Å; C601-F605 PolarHBondContact O-N 3.07Å
602R96.4Very high94.8Very high169 Ų16977.6 Ų77.664%0.63840%0.404SS*.Hα-helixtrans-64.7-47.4172.3176.5-177-70.3-142.3-0.4111.2V598 K599 H600 F605 L606V598-R602 PolarHBondContact O-N 2.98Å; V598-R602 VanDerWaalsContact O-N 3.07Å; K599-R602 WeakPolarHBondContact O-CB 3.46Å; K599-R602 PolarHBondContact O-N 3.24Å; K599-R602 VanDerWaalsContact O-N 3.11Å; H600-R602 VanDerWaalsContact C-N 3.29Å; H600-R602 PolarHBondContact O-N 3.35Å; R602-F605 PolarHBondContact O-N 3.02Å; R602-L606 HydrophobicContact CG-CD1 3.85Å; R602-L606 HydrophobicContact CG-CG 4.32Å; R602-L606 WeakPolarHBondContact O-CB 2.91Å; R602-L606 VanDerWaalsContact O-CG 3.32Å; R602-L606 WeakPolarHBondContact O-CG 3.37Å; R602-L606 PolarHBondContact O-N 3.09Å
603D96.1Very high94.3Very high75 Ų7582 Ų8240%0.40143%0.427SS..Hα-helixtrans-62.9-45-177-59.6-30000111.1K599 H600 L606 A607K599-D603 PolarHBondContact O-N 2.6Å; K599-D603 VanDerWaalsContact O-OD2 3.1Å; H600-D603 PolarHBondContact O-N 3.06Å; H600-D603 VanDerWaalsContact O-N 3.16Å; D603-L606 PolarHBondContact O-N 3.34Å; D603-A607 WeakPolarHBondContact O-CB 3.37Å; D603-A607 PolarHBondContact O-N 3Å
604V95.4Very high93.4Very high77 Ų7783.5 Ų83.547%0.46744%0.438SS..Hα-helixtrans-62.5-42.4174172.20000111.8H600 A607 W608H600-V604 WeakPolarHBondContact O-CG2 3.21Å; H600-V604 PolarHBondContact O-N 3.21Å; V604-A607 PolarHBondContact O-N 3.16Å; V604-W608 WeakPolarHBondContact O-CB 3.29Å; V604-W608 PolarHBondContact O-N 3.15Å
605F96.3Very high92Very high119 Ų11983.4 Ų83.452%0.52244%0.437SS..Hα-helixtrans-64.2-43.2176.7179.1-100000112.2C601 R602 W608 V609C601-F605 VanDerWaalsContact O-CB 3.25Å; C601-F605 WeakPolarHBondContact O-CB 3.15Å; C601-F605 PolarHBondContact O-N 3.07Å; R602-F605 PolarHBondContact O-N 3.02Å; F605-W608 HydrophobicContact CD2-CE3 4.26Å; F605-W608 HydrophobicContact CE2-CE3 4.11Å; F605-W608 AromaticContact CE2-CZ3 3.98Å; F605-W608 HydrophobicContact CE2-CZ3 3.98Å; F605-W608 PolarHBondContact O-N 3.09Å; F605-V609 HydrophobicContact CD1-CG2 4.16Å; F605-V609 HydrophobicContact CE1-CG2 3.7Å; F605-V609 HydrophobicContact CE2-CG2 4.18Å; F605-V609 HydrophobicContact CZ-CG2 3.71Å; F605-V609 WeakPolarHBondContact O-CG2 3.39Å; F605-V609 PolarHBondContact O-N 2.8Å
606L95.8Very high90.2Very high99 Ų9982.4 Ų82.452%0.51844%0.439SS..Hα-helixtrans-64.5-42.9177.3-71.3172.6000111.8R602 D603 W608 V609 A610R602-L606 HydrophobicContact CG-CD1 3.85Å; R602-L606 HydrophobicContact CG-CG 4.32Å; R602-L606 WeakPolarHBondContact O-CB 2.91Å; R602-L606 VanDerWaalsContact O-CG 3.32Å; R602-L606 WeakPolarHBondContact O-CG 3.37Å; R602-L606 PolarHBondContact O-N 3.09Å; D603-L606 PolarHBondContact O-N 3.34Å; L606-W608 VanDerWaalsContact C-N 3.31Å; L606-W608 PolarHBondContact O-N 3.48Å; L606-V609 PolarHBondContact O-N 3.1Å; L606-A610 WeakPolarHBondContact O-CB 3.35Å; L606-A610 PolarHBondContact O-N 3.04Å
607A94.6Very high88.5Confident57 Ų5787.6 Ų87.647%0.47147%0.471SS..Hα-helixtrans-61-39.317400000112.1D603 V604 S611D603-A607 WeakPolarHBondContact O-CB 3.37Å; D603-A607 PolarHBondContact O-N 3Å; V604-A607 PolarHBondContact O-N 3.16Å; A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.19Å; A607-S611 PolarHBondContact O-OG 3.02Å
608W95.7Very high86.8Confident135 Ų13591.5 Ų91.551%0.51149%0.494SS..Hα-helixtrans-67.7-42.8175.2176.787.9000112.8V604 F605 L606 S611 R612V604-W608 WeakPolarHBondContact O-CB 3.29Å; V604-W608 PolarHBondContact O-N 3.15Å; F605-W608 HydrophobicContact CD2-CE3 4.26Å; F605-W608 HydrophobicContact CE2-CE3 4.11Å; F605-W608 AromaticContact CE2-CZ3 3.98Å; F605-W608 HydrophobicContact CE2-CZ3 3.98Å; F605-W608 PolarHBondContact O-N 3.09Å; L606-W608 VanDerWaalsContact C-N 3.31Å; L606-W608 PolarHBondContact O-N 3.48Å; W608-S611 PolarHBondContact O-N 3.04Å; W608-R612 WeakPolarHBondContact O-CB 3.3Å; W608-R612 PolarHBondContact O-N 2.77Å
609V94.4Very high84.9Confident45 Ų4596 Ų9627%0.27351%0.507SS..Hα-helixtrans-61.1-48.2174.3170.60000110.5F605 L606 S611 R612 N613F605-V609 HydrophobicContact CD1-CG2 4.16Å; F605-V609 HydrophobicContact CE1-CG2 3.7Å; F605-V609 HydrophobicContact CE2-CG2 4.18Å; F605-V609 HydrophobicContact CZ-CG2 3.71Å; F605-V609 WeakPolarHBondContact O-CG2 3.39Å; F605-V609 PolarHBondContact O-N 2.8Å; L606-V609 PolarHBondContact O-N 3.1Å; V609-S611 VanDerWaalsContact C-N 3.31Å; V609-S611 PolarHBondContact O-N 3.12Å; V609-R612 PolarHBondContact O-N 3.2Å; V609-R612 VanDerWaalsContact O-N 3.08Å; V609-N613 PolarHBondContact O-N 2.88Å; V609-N613 PolarHBondContact O-OD1 3.02Å
610A93.3Very high82.9Confident62 Ų6298.2 Ų98.251%0.51253%0.527SS..Hα-helixtrans-57.5-44.2176.600000111.9L606 R612 S614L606-A610 WeakPolarHBondContact O-CB 3.35Å; L606-A610 PolarHBondContact O-N 3.04Å; A610-R612 VanDerWaalsContact C-N 3.29Å; A610-R612 PolarHBondContact O-N 2.61Å; A610-S614 PolarHBondContact O-N 3.01Å; A610-S614 PolarHBondContact O-OG 3.1Å
611S93.4Very high80.5Confident65 Ų65109 Ų10946%0.45557%0.574SS.*Hα-helixtrans-65.1-28.2176.6-59.90000113.6A607 W608 V609 S614 N615A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.19Å; A607-S611 PolarHBondContact O-OG 3.02Å; W608-S611 PolarHBondContact O-N 3.04Å; V609-S611 VanDerWaalsContact C-N 3.31Å; V609-S611 PolarHBondContact O-N 3.12Å; S611-S614 PolarHBondContact O-OG 3.05Å; S611-S614 VanDerWaalsContact O-OG 3.09Å; S611-N615 PolarHBondContact O-N 3.29Å; S611-N615 PolarHBondContact O-ND2 3.23Å
612R89.3Confident79.8Confident149 Ų149111 Ų11156%0.56258%0.578SS**Hα-helixtrans-86.2-36180-160.6169.4-170.7179.20.6112.4W608 V609 A610 T616W608-R612 WeakPolarHBondContact O-CB 3.3Å; W608-R612 PolarHBondContact O-N 2.77Å; V609-R612 PolarHBondContact O-N 3.2Å; V609-R612 VanDerWaalsContact O-N 3.08Å; A610-R612 VanDerWaalsContact C-N 3.29Å; A610-R612 PolarHBondContact O-N 2.61Å; R612-T616 PolarHBondContact O-N 3.15Å; R612-T616 PolarHBondContact O-OG1 3.47Å
613N82.5Confident78.9Confident109 Ų109107.9 Ų107.958%0.58358%0.575SS**Hα-helixtrans-65.9-42.5172.9-76.732.7000111.1V609 T616V609-N613 PolarHBondContact O-N 2.88Å; V609-N613 PolarHBondContact O-OD1 3.02Å; N613-T616 PolarHBondContact O-N 3.14Å
614S75Confident77.9Confident67 Ų67109.7 Ų109.747%0.46959%0.585SS.*Hα-helixtrans-64-43.8176.461.20000112.8A610 S611 T616 V617A610-S614 PolarHBondContact O-N 3.01Å; A610-S614 PolarHBondContact O-OG 3.1Å; S611-S614 PolarHBondContact O-OG 3.05Å; S611-S614 VanDerWaalsContact O-OG 3.09Å; S614-T616 PolarHBondContact O-N 3.39Å; S614-V617 PolarHBondContact O-N 3.37Å
615N64.3Low76.9Confident98 Ų98111.6 Ų111.652%0.52459%0.592SS.*Hα-helixtrans-62.7-23.7176.1-89.7-82.8000113.9S611 V617 V618S611-N615 PolarHBondContact O-N 3.29Å; S611-N615 PolarHBondContact O-ND2 3.23Å; N615-V617 VanDerWaalsContact C-N 3.33Å; N615-V618 WeakPolarHBondContact O-CG2 3.12Å
616T59Low75.7Confident98 Ų98111.2 Ų111.260%0.60160%0.596SS**Hα-helixtrans-73.6-25.7178.5-570000112.2R612 N613 S614R612-T616 PolarHBondContact O-N 3.15Å; R612-T616 PolarHBondContact O-OG1 3.47Å; N613-T616 PolarHBondContact O-N 3.14Å; S614-T616 PolarHBondContact O-N 3.39Å
617V58.1Low74.3Confident116 Ų116112 Ų11270%0.70360%0.602SS**Hα-helixtrans-82-26.1-177.3-1790000112.7S614 N615 F619S614-V617 PolarHBondContact O-N 3.37Å; N615-V617 VanDerWaalsContact C-N 3.33Å; V617-F619 PolarHBondContact O-N 3.35Å
618V60.4Low72.9Confident106 Ų106115.9 Ų115.964%0.64261%0.611SS**THydrogen-bonded Turntrans-85.61.5-175-72.50000115.4N615N615-V618 WeakPolarHBondContact O-CG2 3.12Å
619F56.8Low71.1Confident178 Ų178114.5 Ų114.578%0.78162%0.619SS**THydrogen-bonded Turntrans-111.118.4-179.3-93.9-81.7000114.9V617V617-F619 PolarHBondContact O-N 3.35Å
620V51.7Low69.2Low128 Ų128120.3 Ų120.378%0.77665%0.647SS**  trans-118.471.1175.9-169.30000110.6
621K46.7Very low67Low267 Ų267125.5 Ų125.5100%1.16166%0.66SS**  trans-154.50169.3-173.1168.3-179.859.40111.3

Retrieved 621 of 621 residues in 322 ms (Link to these results)