A0A096NAP0_PAPAN Loading...

Cysteine and serine rich nuclear protein 2

AlphaFold DB , UniProt , Accession A0A096NAP0, Species PAPAN (Papio anubis, Olive baboon), Gene CSRNP2, Length 543 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.7Very low35Very low233 Ų233158.9 Ų158.9100%1.14889%0.887SS**  0146.70-74.9-179.8170.500106.8
2D33Very low35Very low171 Ų171162.6 Ų162.691%0.91489%0.886SS**  trans88.4143.8-177.6-52.8-42.7000118.1
3A34.8Very low34.4Very low90 Ų90162.7 Ų162.774%0.74487%0.873SS**  -128.9164.1-128.200000113.1
4F37.7Very low34.5Very low201 Ų201161.9 Ų161.988%0.88287%0.869SS**  trans21.4123.9157.3-84.3-84.6000121.1
5T36.2Very low34.5Very low147 Ų147158.2 Ų158.290%0.90285%0.849SS**  -160.4138.8128.338.80000105.7
6G32.7Very low34.8Very low61 Ų61156.6 Ų156.663%0.62985%0.846SS**  cis118.7109.321.600000109.2
7S30.9Very low34.7Very low137 Ų137155.7 Ų155.796%0.95884%0.841SS**  trans86.5135.7153.9-16.10000120.4
8G31.1Very low35Very low81 Ų81154.4 Ų154.484%0.83584%0.839SS**  trans140.577.7142.800000117.8
9L38.2Very low34.9Very low176 Ų176149.2 Ų149.292%0.92183%0.825SS**  trans-73.9131.5165.4-79.2156.5000111.9
10K35.8Very low35Very low205 Ų205147.6 Ų147.689%0.89182%0.824SS**  trans178.1125.8143.7-110.6168172.9168.10112.1
11R37.7Very low35Very low246 Ų246145.6 Ų145.693%0.92882%0.82SS**  trans-172100146-97.8-172.7-68.1161.8-0.1106
12K35.8Very low34.8Very low203 Ų203141.3 Ų141.388%0.88381%0.807SS**  48.4103.491.5-89.2-157170.7-162.90114.8
13F27.3Very low35.1Very low164 Ų164138 Ų13872%0.71980%0.797SS**  51.4122.8121.6-159.1-94.2000118.9D15F13-D15 HydrophobicContact CE1-CB 3.57Å; F13-D15 HydrophobicContact CE2-CB 4.27Å; F13-D15 HydrophobicContact CZ-CB 3.44Å; F13-D15 VanDerWaalsContact CZ-CB 3.44Å
14D35.8Very low35Very low151 Ų151141.2 Ų141.281%0.80780%0.802SS**  trans-150.3142.5136.1-130.7-71.1000110.2
15D33.5Very low35.2Very low107 Ų107136.4 Ų136.457%0.57279%0.793SS**  trans-123124.1-165.2-178.7-74.9000105.8F13F13-D15 HydrophobicContact CE1-CB 3.57Å; F13-D15 HydrophobicContact CE2-CB 4.27Å; F13-D15 HydrophobicContact CZ-CB 3.44Å; F13-D15 VanDerWaalsContact CZ-CB 3.44Å
16V39.8Very low35.3Very low132 Ų132136 Ų13680%0.879%0.785SS**  trans-144.1106.8169.5-160.10000109.8
17D33.4Very low36Very low142 Ų142140.3 Ų140.376%0.75979%0.794SS**  trans-90.6127.6168.5-171.111.1000109.6
18V40.3Very low36.5Very low133 Ų133141.4 Ų141.481%0.80678%0.784SS**  trans-141.5109.8164164.10000107.3
19G33.2Very low37.1Very low55 Ų55143.4 Ų143.457%0.56777%0.774SS**  trans-79161.8177.600000114.6
20S36.1Very low37.2Very low117 Ų117140.7 Ų140.782%0.81877%0.77SS**  176.9120.2121.2-91.70000112.3
21S34.7Very low37.1Very low106 Ų106135.8 Ų135.874%0.74176%0.761SS**  78.5137.1129.4-54.20000122.9
22V33.7Very low37.3Very low142 Ų142128.8 Ų128.886%0.86175%0.75SS**  trans92.3120.3156-11.70000119.1
23S39.4Very low37.3Very low103 Ų103127 Ų12772%0.7275%0.75SS**  trans-63.3149.5179.1-50.20000114.5
24N31.7Very low38Very low157 Ų157124.9 Ų124.984%0.8476%0.756SS**  -177.5124.5123.9-79.5-37.4000107.4
25S42.1Very low38.4Very low99 Ų99121.6 Ų121.669%0.69275%0.75SS**  64.7114.6117.4-155.30000114.7
26D38.6Very low38.8Very low138 Ų138124.2 Ų124.274%0.73876%0.764SS**  152.5138.4126.3-70.3-26.8000112.9
27D47.8Very low38.6Very low152 Ų152123.3 Ų123.381%0.81376%0.763SS**  trans-60.5132.4177.4-63.7-85.6000112.9
28E41Very low39Very low161 Ų161122.7 Ų122.775%0.75277%0.769SS**  trans-130.498.5169.2-74.2-72117.800110.9
29I43.3Very low39.1Very low122 Ų122123 Ų12363%0.62677%0.766SS**  43.397.8128.862.4146.8000118.8S31I29-S31 PolarHBondContact O-N 3.48Å
30S40.2Very low39.5Very low119 Ų119126 Ų12683%0.83278%0.778SS**  trans-66.7100.3152.1-1750000108.7S32S30-S32 PolarHBondContact O-N 3.15Å
31S34.4Very low40.2Very low102 Ų102128.4 Ų128.471%0.71378%0.781SS**  trans-61106.2171.3-65.40000109.6I29I29-S31 PolarHBondContact O-N 3.48Å
32S41.8Very low40.5Very low99 Ų99129.2 Ų129.269%0.69278%0.777SS**  trans-91.8108.6163.4-77.40000108.8S30 S34S30-S32 PolarHBondContact O-N 3.15Å; S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 PolarHBondContact O-OG 3.5Å
33D36.1Very low40.9Very low166 Ų166127.5 Ų127.589%0.88877%0.768SS**  trans-48.2109162-95.4-46.5000109.6
34S42Very low40.6Very low119 Ų119128.3 Ų128.383%0.83277%0.771SS**  trans-104.782.7170.4-55.10000107.2S32S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 PolarHBondContact O-OG 3.5Å
35A43Very low41.3Very low82 Ų82127 Ų12768%0.67877%0.77SS**  trans-119.295.6165.400000107.9
36D41.6Very low41.5Very low162 Ų162129 Ų12987%0.86678%0.778SS**  trans-160.671.4141.2-102.1-33.1000107.9C38D36-C38 PolarHBondContact O-N 3.22Å
37S35.6Very low41.5Very low113 Ų113126.1 Ų126.179%0.7977%0.773SS**  trans-75.398.6157.21790000106.6D39S37-D39 PolarHBondContact O-N 3.4Å
38C42.1Very low41.1Very low130 Ų130123.9 Ų123.988%0.87877%0.769SS**  trans-77.173.4174.254.10000110.7D36D36-C38 PolarHBondContact O-N 3.22Å
39D43.3Very low41Very low139 Ų139126.2 Ų126.274%0.74378%0.777SS**  trans-131.488.2157.5-160.413.1000107.9S37S37-D39 PolarHBondContact O-N 3.4Å
40S41Very low40.7Very low117 Ų117125.8 Ų125.882%0.81878%0.78SS**  trans-160124.8166.6-81.90000111.6N42S40-N42 PolarHBondContact O-N 3.37Å; S40-N42 VanDerWaalsContact O-N 3.15Å
41L50.4Low40.7Very low168 Ų168125.7 Ų125.788%0.8878%0.777SS**SBendtrans-63.698.4170-61.6164.5000110.4
42N42.4Very low40.9Very low123 Ų123127.4 Ų127.466%0.65878%0.783SS**  trans161.6130.2142.5-93-28.4000110.5S40S40-N42 PolarHBondContact O-N 3.37Å; S40-N42 VanDerWaalsContact O-N 3.15Å
43P40.4Very low41Very low106 Ų106125.9 Ų125.969%0.68877%0.773SS**PPolyproline II helixtrans-79.6137.7165.731.1-29.5000110.3T45P43-T45 PolarHBondContact O-N 2.76Å
44P34.5Very low41.9Very low120 Ų120123.5 Ų123.578%0.77976%0.759SS**PPolyproline II helixtrans-68127.516925.6-29.5000110.1
45T45.9Very low42Very low131 Ų131123.2 Ų123.280%0.80475%0.747SS**SBendtrans-56.6136.2168.3-42.50000109P43P43-T45 PolarHBondContact O-N 2.76Å
46T46.4Very low42.1Very low141 Ų141128 Ų12887%0.86575%0.753SS**  trans83.755.5-178.683.30000117.2
47A38.4Very low42.3Very low77 Ų77130.8 Ų130.864%0.63675%0.751SS**  trans-123.4118.814600000107.4F49A47-F49 PolarHBondContact O-N 2.88Å; A47-F49 VanDerWaalsContact O-N 3.15Å
48S38.3Very low43.3Very low105 Ų105132.4 Ų132.473%0.73475%0.746SS**  trans-49.7120.6172.745.60000109.7T50S48-T50 PolarHBondContact O-N 2.82Å
49F40.4Very low43.7Very low209 Ų209135.4 Ų135.492%0.91774%0.744SS**  trans-64.479.4173.1-69.5-87.5000110A47 P51A47-F49 PolarHBondContact O-N 2.88Å; A47-F49 VanDerWaalsContact O-N 3.15Å; F49-P51 WeakPolarHBondContact O-CD 3.46Å
50T36.6Very low44.4Very low113 Ų113137.4 Ų137.469%0.69375%0.749SS**  trans-92.6104.6157.351.80000106.5S48 T52S48-T50 PolarHBondContact O-N 2.82Å; T50-T52 PolarHBondContact O-N 3.39Å
51P40.7Very low45.4Very low117 Ų117138.6 Ų138.676%0.7675%0.746SS**  trans-53.3130.9170.821-30.1000108.1F49 S53F49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-S53 PolarHBondContact O-N 2.81Å
52T38.9Very low46Very low138 Ų138142.4 Ų142.485%0.84775%0.748SS**  trans-58.9106.5175.241.30000108T50 I54T50-T52 PolarHBondContact O-N 3.39Å; T52-I54 PolarHBondContact O-N 3.42Å
53S42.6Very low47.3Very low67 Ų67145.2 Ų145.247%0.46975%0.75SS.*  trans-50.1125.4-179.8176.20000110.6P51 L55 K56P51-S53 PolarHBondContact O-N 2.81Å; S53-L55 PolarHBondContact O-N 2.99Å; S53-L55 WeakPolarHBondContact OG-CB 3.31Å; S53-L55 PolarHBondContact OG-N 2.83Å; S53-K56 PolarHBondContact O-N 3.32Å
54I54.6Low49Very low116 Ų116150.1 Ų150.160%0.59576%0.76SS**THydrogen-bonded Turntrans-57.6-18.8173.4-59.5168000110.8T52 K56T52-I54 PolarHBondContact O-N 3.42Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 2.89Å
55L44.9Very low51.2Low114 Ų114150.4 Ų150.460%0.59776%0.755SS**THydrogen-bonded Turntrans-77.7-12.8179-53.6174.4000113.6S53 R57S53-L55 PolarHBondContact O-N 2.99Å; S53-L55 WeakPolarHBondContact OG-CB 3.31Å; S53-L55 PolarHBondContact OG-N 2.83Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-R57 VanDerWaalsContact O-N 3.14Å
56K44.5Very low53.1Low181 Ų181149.9 Ų149.979%0.78775%0.752SS**SBendtrans-80.6102.8177.5-131.7173.3-172.21730108.4S53 I54 Q58S53-K56 PolarHBondContact O-N 3.32Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 2.89Å; K56-Q58 VanDerWaalsContact C-N 3.26Å; K56-Q58 PolarHBondContact O-N 3.01Å
57R46.7Very low55Low221 Ų221154 Ų15483%0.83475%0.751SS**  trans-53.692.4167.1-168.4175.7-172.41632.9108.1L55 K59L55-R57 PolarHBondContact O-N 3.23Å; L55-R57 VanDerWaalsContact O-N 3.14Å; R57-K59 PolarHBondContact O-N 3.07Å
58Q56Low57.5Low147 Ų147157.7 Ų157.769%0.68775%0.753SS**  trans-57116.7170.4-104.8-176.2-2.300105.7K56 Q60K56-Q58 VanDerWaalsContact C-N 3.26Å; K56-Q58 PolarHBondContact O-N 3.01Å; Q58-Q60 PolarHBondContact O-N 3.03Å
59K51.3Low60Low193 Ų193158 Ų15884%0.83975%0.747SS**  trans-49.8116172.9-150.8176.9-172.3-178.20105.3R57 L61R57-K59 PolarHBondContact O-N 3.07Å; K59-L61 PolarHBondContact O-N 3.42Å
60Q57Low62.6Low181 Ų181154 Ų15485%0.84673%0.731SS**  trans-64.287.4-179.9-76-165.3-9.500107.3Q58 R62Q58-Q60 PolarHBondContact O-N 3.03Å; Q60-R62 PolarHBondContact O-N 3.49Å
61L61.3Low65.5Low143 Ų143150.1 Ų150.175%0.74971%0.707SS**  trans-53.2135.6162.2-87.3117.8000105.8K59 R63K59-L61 PolarHBondContact O-N 3.42Å; L61-R63 WeakPolarHBondContact O-CG 3.31Å; L61-R63 PolarHBondContact O-N 3.28Å
62R64.1Low68.2Low248 Ų248147.4 Ų147.494%0.93669%0.689SS**  trans-58.690.2171.9-81-88.4163.9167.9-6107.3Q60 K64Q60-R62 PolarHBondContact O-N 3.49Å; R62-K64 PolarHBondContact O-N 3.47Å
63R69.8Low70.9Confident181 Ų181142.3 Ų142.368%0.68366%0.657SS**  trans-67.6124177.2-69.3-177.5-178.7174.30.2106L61 N65L61-R63 WeakPolarHBondContact O-CG 3.31Å; L61-R63 PolarHBondContact O-N 3.28Å; R63-N65 VanDerWaalsContact CB-OD1 3.27Å; R63-N65 WeakPolarHBondContact CB-OD1 3.34Å; R63-N65 PolarHBondContact O-N 3.49Å; R63-N65 VanDerWaalsContact O-N 3.12Å; R63-N65 PolarHBondContact O-OD1 3.15Å; R63-N65 VanDerWaalsContact O-OD1 3.13Å
64K75.7Confident73.5Confident210 Ų210145.2 Ų145.291%0.91366%0.659SS**  trans-64.2110.3163.2-66.8179.5-178.7178.10104.9R62R62-K64 PolarHBondContact O-N 3.47Å
65N80.4Confident75.4Confident126 Ų126143.3 Ų143.367%0.67464%0.644SS**  trans-94.4131.6-176.5-65.6-16.3000108.7R63 R67R63-N65 VanDerWaalsContact CB-OD1 3.27Å; R63-N65 WeakPolarHBondContact CB-OD1 3.34Å; R63-N65 PolarHBondContact O-N 3.49Å; R63-N65 VanDerWaalsContact O-N 3.12Å; R63-N65 PolarHBondContact O-OD1 3.15Å; R63-N65 VanDerWaalsContact O-OD1 3.13Å; N65-R67 PolarHBondContact O-N 3.46Å
66V86.9Confident77.9Confident120 Ų120141.3 Ų141.373%0.72763%0.631SS**  trans-68.9126.8166.1178.40000107.3F68V66-F68 HydrophobicContact CG1-CE1 4.31Å; V66-F68 HydrophobicContact CG1-CE2 4.24Å; V66-F68 HydrophobicContact CG1-CZ 3.97Å
67R86.4Confident80.2Confident227 Ų227134.8 Ų134.886%0.85761%0.611SS**  trans-109.5131.9173-70.8-171.963.6172.2-1.9108.9N65N65-R67 PolarHBondContact O-N 3.46Å
68F90.6Very high82.5Confident154 Ų154130.1 Ų130.168%0.67559%0.593SS**  trans-92.2150.5167.5-56.9-80.8000108.6V66 L107V66-F68 HydrophobicContact CG1-CE1 4.31Å; V66-F68 HydrophobicContact CG1-CE2 4.24Å; V66-F68 HydrophobicContact CG1-CZ 3.97Å; F68-L107 HydrophobicContact CB-CD1 4.17Å; F68-L107 HydrophobicContact CB-CD2 4.21Å; F68-L107 VanDerWaalsContact O-CD1 3.27Å; F68-L107 WeakPolarHBondContact O-CD1 3.13Å
69D90.1Very high84.3Confident112 Ų112129.6 Ų129.660%0.59959%0.585SS**  trans-127.7-41.5-175.8-17855.8000111.6L107D69-L107 PolarHBondContact O-N 3.4Å
70Q95.3Very high86.2Confident124 Ų124121.4 Ų121.458%0.57955%0.55SS*.EExtended strand (participates in β ladder)trans-133.8152.3-174.2-72.7166.166.700112.1Y105Q70-Y105 CarbonylContact C-O 3.51Å; Q70-Y105 VanDerWaalsContact CA-O 3.3Å; Q70-Y105 WeakPolarHBondContact CA-O 3.33Å
71V97Very high87.8Confident32 Ų32113 Ų11319%0.19451%0.512CS..EExtended strand (participates in β ladder)trans-115.5127.4172.4-175.70000108.2V73 S104 Y105 L107 F110V71-V73 HydrophobicContact CG1-CG2 4.09Å; V71-S104 CarbonylContact O-C 3.47Å; V71-S104 WeakPolarHBondContact O-CA 3.29Å; V71-Y105 PolarHBondContact N-O 2.89Å; V71-Y105 PolarHBondContact O-N 3.46Å; V71-L107 HydrophobicContact CG2-CD2 3.81Å; V71-F110 HydrophobicContact CB-CB 4.13Å; V71-F110 HydrophobicContact CB-CD1 4.27Å; V71-F110 HydrophobicContact CB-CD2 4.3Å; V71-F110 HydrophobicContact CB-CG 3.97Å; V71-F110 HydrophobicContact CG1-CD1 3.95Å; V71-F110 HydrophobicContact CG1-CD2 3.91Å; V71-F110 HydrophobicContact CG1-CE1 4.04Å; V71-F110 HydrophobicContact CG1-CE2 4.03Å; V71-F110 HydrophobicContact CG1-CG 3.86Å; V71-F110 HydrophobicContact CG1-CZ 4.07Å; V71-F110 HydrophobicContact CG2-CB 3.91Å; V71-F110 HydrophobicContact CG2-CD1 3.88Å; V71-F110 HydrophobicContact CG2-CG 3.92Å
72T97.3Very high89.1Confident61 Ų61112.2 Ų112.237%0.37450%0.503SS..EExtended strand (participates in β ladder)trans-113.5119.3172-57.80000109.5Y74 V102 R103 S104T72-Y74 HydrophobicContact CG2-CD2 4.34Å; T72-Y74 HydrophobicContact CG2-CE2 3.64Å; T72-V102 HydrophobicContact CG2-CG1 3.58Å; T72-R103 CarbonylContact C-O 3.56Å; T72-R103 WeakPolarHBondContact CA-O 3.12Å; T72-S104 PolarHBondContact OG1-OG 3.35Å
73V96.3Very high90.2Very high31 Ų31107.4 Ų107.419%0.18850%0.501CS..EExtended strand (participates in β ladder)trans-103.8127.7-177.8-173.20000109.3V71 Y75 V102 R103 Y105 F110V71-V73 HydrophobicContact CG1-CG2 4.09Å; V73-Y75 HydrophobicContact CB-CE2 4.11Å; V73-Y75 HydrophobicContact CG1-CD2 4.31Å; V73-Y75 HydrophobicContact CG1-CE1 4.12Å; V73-Y75 HydrophobicContact CG1-CE2 3.73Å; V73-V102 CarbonylContact O-C 3.54Å; V73-V102 VanDerWaalsContact O-CA 3.31Å; V73-V102 WeakPolarHBondContact O-CA 3.27Å; V73-R103 PolarHBondContact N-O 3.36Å; V73-R103 PolarHBondContact O-N 2.97Å; V73-Y105 HydrophobicContact CB-CE2 4.37Å; V73-Y105 HydrophobicContact CG2-CD2 3.99Å; V73-Y105 HydrophobicContact CG2-CE2 3.83Å; V73-F110 HydrophobicContact CG2-CD2 4.13Å; V73-F110 HydrophobicContact CG2-CE2 3.56Å; V73-F110 HydrophobicContact CG2-CZ 4.34Å
74Y97.3Very high91.1Very high127 Ų127101.2 Ų101.250%0.49849%0.486SS..EExtended strand (participates in β ladder)trans-109125.9175.7-63.1-95.1000109.2T72 F76 H99 V102T72-Y74 HydrophobicContact CG2-CD2 4.34Å; T72-Y74 HydrophobicContact CG2-CE2 3.64Å; Y74-F76 VanDerWaalsContact CB-CE2 3.5Å; Y74-F76 WeakPolarHBondContact O-CD2 3.3Å; Y74-H99 AromaticContact CD1-CE1 3.97Å; Y74-H99 AromaticContact CD1-ND1 3.72Å; Y74-V102 HydrophobicContact CD1-CB 4.34Å; Y74-V102 HydrophobicContact CD1-CG1 3.96Å; Y74-V102 HydrophobicContact CD1-CG2 3.52Å; Y74-V102 HydrophobicContact CE1-CB 4.49Å; Y74-V102 HydrophobicContact CE1-CG1 3.82Å; Y74-V102 HydrophobicContact CE1-CG2 3.79Å; Y74-V102 HydrophobicContact CG-CG1 4.49Å; Y74-V102 HydrophobicContact CG-CG2 4.47Å
75Y95.4Very high91.7Very high76 Ų7693 Ų9330%0.29845%0.453SS..EExtended strand (participates in β ladder)trans-100.6130.2-179.1-61.4-92.9000110.7V73 H99 N100 S101 R103V73-Y75 HydrophobicContact CB-CE2 4.11Å; V73-Y75 HydrophobicContact CG1-CD2 4.31Å; V73-Y75 HydrophobicContact CG1-CE1 4.12Å; V73-Y75 HydrophobicContact CG1-CE2 3.73Å; Y75-H99 CarbonylContact O-C 3.5Å; Y75-H99 WeakPolarHBondContact O-CA 3.33Å; Y75-H99 WeakPolarHBondContact O-CB 3.48Å; Y75-N100 PolarHBondContact O-N 3.27Å; Y75-N100 PolarHBondContact O-OD1 3.45Å; Y75-S101 WeakPolarHBondContact CB-OG 3.49Å; Y75-S101 WeakPolarHBondContact CD2-OG 3.47Å; Y75-S101 PolarHBondContact N-O 3.12Å; Y75-R103 HydrophobicContact CE2-CB 4.14Å; Y75-R103 HydrophobicContact CE2-CG 3.8Å
76F95.5Very high91.9Very high72 Ų7288 Ų8832%0.31643%0.427SS..  trans-122.5136.5-179.7-62.5-98.4000110Y74 M95 A96 H99Y74-F76 VanDerWaalsContact CB-CE2 3.5Å; Y74-F76 WeakPolarHBondContact O-CD2 3.3Å; F76-M95 HydrophobicContact CB-CB 3.79Å; F76-M95 HydrophobicContact CB-CG 4.07Å; F76-M95 HydrophobicContact CB-SD 4.18Å; F76-M95 HydrophobicContact CD1-CB 4.48Å; F76-M95 HydrophobicContact CD2-SD 3.93Å; F76-M95 HydrophobicContact CG-CB 4.18Å; F76-M95 HydrophobicContact CG-SD 4.15Å; F76-A96 VanDerWaalsContact CD1-O 3.29Å; F76-A96 WeakPolarHBondContact CD1-O 3.45Å; F76-H99 HydrophobicContact CD1-CB 3.95Å; F76-H99 HydrophobicContact CD2-CB 4.35Å; F76-H99 HydrophobicContact CE1-CB 3.71Å; F76-H99 VanDerWaalsContact CE1-N 3.29Å; F76-H99 HydrophobicContact CE2-CB 4.13Å; F76-H99 HydrophobicContact CG-CB 4.28Å; F76-H99 HydrophobicContact CZ-CB 3.81Å
77A94.5Very high91.5Very high44 Ų4487.4 Ų87.436%0.36443%0.429SS..  trans-64.1139.5169.800000109.8A96A77-A96 HydrophobicContact CB-CB 4.32Å; A77-A96 WeakPolarHBondContact O-CB 3.34Å; A77-A96 PolarHBondContact O-N 3.3Å
78R93.8Very high91Very high124 Ų12482.7 Ų82.747%0.46842%0.416SS..EExtended strand (participates in β ladder)trans-69138.6176.8-58.6-178.2179.1104.1-1.8110G94 S190R78-G94 WeakPolarHBondContact CA-O 3.22Å; R78-S190 WeakPolarHBondContact CB-OG 3.45Å
79R93.8Very high90.2Very high136 Ų13675.5 Ų75.551%0.51339%0.385SS..EExtended strand (participates in β ladder)trans-131.7165.4174.2-67.5-63.4-148.3171.97.3109.1G81 G94 A96 L187R79-G81 PolarHBondContact O-N 2.96Å; R79-G94 PolarHBondContact N-O 2.87Å; R79-G94 CarbonylContact O-C 3.56Å; R79-G94 WeakPolarHBondContact O-CA 3.11Å; R79-G94 PolarHBondContact O-N 3.5Å; R79-G94 VanDerWaalsContact O-O 3.12Å; R79-A96 HydrophobicContact CG-CB 3.93Å; R79-L187 VanDerWaalsContact C-CD2 3.4Å; R79-L187 VanDerWaalsContact O-CD2 3.32Å; R79-L187 WeakPolarHBondContact O-CD2 3.48Å
80Q92.6Very high89.9Confident20 Ų2070.4 Ų70.49%0.09336%0.359CS..EExtended strand (participates in β ladder)trans-64.4126.6164.2-172.6165.79.400107.8F82 L187 D196 E199Q80-F82 HydrophobicContact CB-CE2 4.17Å; Q80-F82 HydrophobicContact CB-CZ 4.35Å; Q80-F82 HydrophobicContact CG-CE2 4.12Å; Q80-F82 HydrophobicContact CG-CZ 3.92Å; Q80-F82 WeakPolarHBondContact O-CE2 3.44Å; Q80-L187 HydrophobicContact CB-CD2 4.45Å; Q80-D196 PolarHBondContact NE2-O 3.29Å; Q80-E199 WeakPolarHBondContact CG-OE2 3.49Å; Q80-E199 PolarHBondContact NE2-OE2 2.97Å
81G90.1Very high89.5Confident6 Ų664.9 Ų64.96%0.06234%0.335CS..  trans-80.2162.8176.800000110.9R79 S92 E199R79-G81 PolarHBondContact O-N 2.96Å; G81-S92 WeakPolarHBondContact CA-OG 3.21Å; G81-S92 PolarHBondContact N-O 2.93Å; G81-S92 VanDerWaalsContact N-O 3.08Å; G81-S92 PolarHBondContact N-OG 3.28Å; G81-S92 PolarHBondContact O-OG 3Å; G81-E199 VanDerWaalsContact O-CD 3.28Å
82F88.9Confident89.2Confident125 Ų12563.4 Ų63.455%0.54833%0.326SS..SBendtrans-141.77172.4-63.9-87.1000112Q80 E199Q80-F82 HydrophobicContact CB-CE2 4.17Å; Q80-F82 HydrophobicContact CB-CZ 4.35Å; Q80-F82 HydrophobicContact CG-CE2 4.12Å; Q80-F82 HydrophobicContact CG-CZ 3.92Å; Q80-F82 WeakPolarHBondContact O-CE2 3.44Å; F82-E199 HydrophobicContact CD1-CB 4.38Å; F82-E199 HydrophobicContact CD1-CG 3.89Å; F82-E199 HydrophobicContact CE1-CB 3.97Å; F82-E199 HydrophobicContact CE1-CG 3.91Å
83T87.1Confident88.9Confident147 Ų14763 Ų6390%0.90232%0.321SS*.SBendtrans-112.5-1.2-173.654.50000112.8
84S87.3Confident88.7Confident51 Ų5162.4 Ų62.436%0.35732%0.321SS..  trans-127.9148.3-176.370.40000110.5S92 L203S84-S92 WeakPolarHBondContact OG-CB 3.32Å; S84-L203 WeakPolarHBondContact O-CD2 3.27Å
85V88.6Confident88.6Confident39 Ų3963.1 Ų63.124%0.23633%0.33CS..  trans-115.197.9177.8-175.60000108.3S87 L203 I206 R207V85-S87 PolarHBondContact O-N 3.47Å; V85-L203 HydrophobicContact CB-CD2 4.18Å; V85-L203 HydrophobicContact CG1-CD2 4.19Å; V85-L203 HydrophobicContact CG2-CD2 3.85Å; V85-I206 HydrophobicContact CG1-CG2 4.18Å; V85-I206 HydrophobicContact CG2-CD1 4.28Å; V85-I206 HydrophobicContact CG2-CG2 3.87Å; V85-R207 HydrophobicContact CG1-CG 3.73Å
86P84.3Confident88.5Confident19 Ų1960.4 Ų60.412%0.12332%0.324CS..  trans-63.1131178.8-19.131.7000110.6Q88 G89 L203 R207P86-Q88 PolarHBondContact O-N 3.05Å; P86-G89 PolarHBondContact O-N 3.35Å; P86-G89 VanDerWaalsContact O-N 3.12Å; P86-L203 HydrophobicContact CG-CD1 4.45Å; P86-R207 WeakPolarHBondContact O-CD 3.14Å
87S79.6Confident88.4Confident108 Ų10866.2 Ų66.276%0.75535%0.352SS*.THydrogen-bonded Turntrans-56.4-4817839.30000112.2V85 G89 R207V85-S87 PolarHBondContact O-N 3.47Å; S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.9Å; S87-R207 PolarHBondContact O-NH1 3.07Å
88Q75.4Confident88.4Confident129 Ų12974 Ų7460%0.60337%0.372SS*.THydrogen-bonded Turntrans-85.411.5179.1-66.3-177.9-8.800114.5P86P86-Q88 PolarHBondContact O-N 3.05Å
89G74.5Confident88.5Confident2 Ų272.3 Ų72.32%0.02137%0.369CS..  trans66.8-167.618000000115P86 S87 R183 R207P86-G89 PolarHBondContact O-N 3.35Å; P86-G89 VanDerWaalsContact O-N 3.12Å; S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.9Å; G89-R183 PolarHBondContact O-NH1 3.37Å; G89-R207 VanDerWaalsContact CA-CZ 3.47Å
90G82.7Confident88.7Confident5 Ų571.3 Ų71.35%0.05237%0.374CS..SBendtrans87.5179.6-172.800000112.7
91S88Confident88.9Confident9 Ų972.7 Ų72.76%0.06339%0.386CS..SBendtrans-71.6133.8177.7-50.20000110.3I195 E199S91-I195 WeakPolarHBondContact OG-CG2 3.28Å; S91-E199 WeakPolarHBondContact CA-OE2 3.42Å
92S90.8Very high89.2Confident1 Ų175.4 Ų75.41%0.00740%0.401CS..PPolyproline II helixtrans-77147.5-178.271.70000111.4G81 S84 E199G81-S92 WeakPolarHBondContact CA-OG 3.21Å; G81-S92 PolarHBondContact N-O 2.93Å; G81-S92 VanDerWaalsContact N-O 3.08Å; G81-S92 PolarHBondContact N-OG 3.28Å; G81-S92 PolarHBondContact O-OG 3Å; S84-S92 WeakPolarHBondContact OG-CB 3.32Å; S92-E199 VanDerWaalsContact CB-OE1 3.27Å; S92-E199 WeakPolarHBondContact CB-OE1 3.43Å; S92-E199 PolarHBondContact N-OE1 2.93Å; S92-E199 PolarHBondContact N-OE2 3.15Å; S92-E199 PolarHBondContact OG-OE1 3.43Å
93L90.9Very high89.6Confident53 Ų5375.5 Ų75.528%0.27740%0.398SS..EExtended strand (participates in β ladder)trans-93.5116.4172.4-66.2-179.5000108.2L178 R183 L186 L187L93-L178 HydrophobicContact CD1-CD1 3.73Å; L93-R183 HydrophobicContact CD1-CB 4.4Å; L93-R183 HydrophobicContact CD1-CG 4.05Å; L93-R183 HydrophobicContact CD2-CB 4.23Å; L93-R183 HydrophobicContact CG-CB 4.22Å; L93-R183 HydrophobicContact CG-CG 4.16Å; L93-L186 HydrophobicContact CD1-CD1 3.91Å; L93-L186 HydrophobicContact CD2-CB 4.41Å; L93-L187 HydrophobicContact CD2-CD1 4.18Å; L93-L187 HydrophobicContact CD2-CD2 3.73Å; L93-L187 HydrophobicContact CD2-CG 3.57Å
94G92.4Very high90.1Very high18 Ų1872.2 Ų72.219%0.18638%0.381CS..EExtended strand (participates in β ladder)trans-115.6176.6176.100000112.5R78 R79R78-G94 WeakPolarHBondContact CA-O 3.22Å; R79-G94 PolarHBondContact N-O 2.87Å; R79-G94 CarbonylContact O-C 3.56Å; R79-G94 WeakPolarHBondContact O-CA 3.11Å; R79-G94 PolarHBondContact O-N 3.5Å; R79-G94 VanDerWaalsContact O-O 3.12Å
95M93.9Very high90.6Very high141 Ų14171.1 Ų71.170%0.69537%0.369SS*.EExtended strand (participates in β ladder)trans-106150.4174.6-64.9-174.7-66.600110F76F76-M95 HydrophobicContact CB-CB 3.79Å; F76-M95 HydrophobicContact CB-CG 4.07Å; F76-M95 HydrophobicContact CB-SD 4.18Å; F76-M95 HydrophobicContact CD1-CB 4.48Å; F76-M95 HydrophobicContact CD2-SD 3.93Å; F76-M95 HydrophobicContact CG-CB 4.18Å; F76-M95 HydrophobicContact CG-SD 4.15Å
96A93.8Very high90.9Very high20 Ų2072 Ų7217%0.16538%0.375CS..  trans-60.8156.2168.600000111.4F76 A77 R79 R98F76-A96 VanDerWaalsContact CD1-O 3.29Å; F76-A96 WeakPolarHBondContact CD1-O 3.45Å; A77-A96 HydrophobicContact CB-CB 4.32Å; A77-A96 WeakPolarHBondContact O-CB 3.34Å; A77-A96 PolarHBondContact O-N 3.3Å; R79-A96 HydrophobicContact CG-CB 3.93Å; A96-R98 PolarHBondContact O-N 2.92Å
97Q92.9Very high91.4Very high193 Ų19374.9 Ų74.990%0.90239%0.388SS*.SBendtrans-63.4-24.8179.9-168.9179.225.800113.3
98R95.4Very high92.1Very high209 Ų20974.1 Ų74.179%0.78938%0.382SS*.SBendtrans-127.3142.2-179.8-62-177.166.9173.40.4109.9A96A96-R98 PolarHBondContact O-N 2.92Å
99H96.4Very high93.1Very high87 Ų8772.7 Ų72.740%0.40338%0.375SS..  trans-70.9151.3170.659.5-97.9000109.8Y74 Y75 F76 V102Y74-H99 AromaticContact CD1-CE1 3.97Å; Y74-H99 AromaticContact CD1-ND1 3.72Å; Y75-H99 CarbonylContact O-C 3.5Å; Y75-H99 WeakPolarHBondContact O-CA 3.33Å; Y75-H99 WeakPolarHBondContact O-CB 3.48Å; F76-H99 HydrophobicContact CD1-CB 3.95Å; F76-H99 HydrophobicContact CD2-CB 4.35Å; F76-H99 HydrophobicContact CE1-CB 3.71Å; F76-H99 VanDerWaalsContact CE1-N 3.29Å; F76-H99 HydrophobicContact CE2-CB 4.13Å; F76-H99 HydrophobicContact CG-CB 4.28Å; F76-H99 HydrophobicContact CZ-CB 3.81Å; H99-V102 WeakPolarHBondContact CD2-CG2 3.44Å; H99-V102 VanDerWaalsContact NE2-CG2 3.31Å; H99-V102 WeakPolarHBondContact NE2-CG2 3.3Å
100N96.3Very high94Very high116 Ų11675.1 Ų75.162%0.6239%0.386SS*.SBendtrans-99.8-19.8174.462.70.6000112.5Y75Y75-N100 PolarHBondContact O-N 3.27Å; Y75-N100 PolarHBondContact O-OD1 3.45Å
101S96.8Very high94.5Very high48 Ų4877.6 Ų77.634%0.33641%0.406SS..EExtended strand (participates in β ladder)trans-152.6160.4173.965.80000111.7Y75Y75-S101 WeakPolarHBondContact CB-OG 3.49Å; Y75-S101 WeakPolarHBondContact CD2-OG 3.47Å; Y75-S101 PolarHBondContact N-O 3.12Å
102V97.9Very high94.7Very high63 Ų6383.2 Ų83.238%0.38243%0.431SS..EExtended strand (participates in β ladder)trans-135.4140.5177.3-172.90000107.8T72 V73 Y74 H99T72-V102 HydrophobicContact CG2-CG1 3.58Å; V73-V102 CarbonylContact O-C 3.54Å; V73-V102 VanDerWaalsContact O-CA 3.31Å; V73-V102 WeakPolarHBondContact O-CA 3.27Å; Y74-V102 HydrophobicContact CD1-CB 4.34Å; Y74-V102 HydrophobicContact CD1-CG1 3.96Å; Y74-V102 HydrophobicContact CD1-CG2 3.52Å; Y74-V102 HydrophobicContact CE1-CB 4.49Å; Y74-V102 HydrophobicContact CE1-CG1 3.82Å; Y74-V102 HydrophobicContact CE1-CG2 3.79Å; Y74-V102 HydrophobicContact CG-CG1 4.49Å; Y74-V102 HydrophobicContact CG-CG2 4.47Å; H99-V102 WeakPolarHBondContact CD2-CG2 3.44Å; H99-V102 VanDerWaalsContact NE2-CG2 3.31Å; H99-V102 WeakPolarHBondContact NE2-CG2 3.3Å
103R97Very high94.8Very high128 Ų12886.6 Ų86.648%0.48345%0.447SS..EExtended strand (participates in β ladder)trans-132.2146.5173-66.5-175.9-177.1-176.6-2.6109.9T72 V73 Y75 Y105 E113T72-R103 CarbonylContact C-O 3.56Å; T72-R103 WeakPolarHBondContact CA-O 3.12Å; V73-R103 PolarHBondContact N-O 3.36Å; V73-R103 PolarHBondContact O-N 2.97Å; Y75-R103 HydrophobicContact CE2-CB 4.14Å; Y75-R103 HydrophobicContact CE2-CG 3.8Å; R103-Y105 HydrophobicContact CB-CD2 4.28Å; R103-Y105 HydrophobicContact CB-CE2 3.49Å; R103-Y105 VanDerWaalsContact CB-CE2 3.49Å; R103-Y105 WeakPolarHBondContact CD-OH 3.47Å; R103-Y105 PolarHBondContact NH1-OH 3.04Å; R103-E113 IonicContact NH1-OE1 3.57Å
104S97.1Very high94.8Very high78 Ų7888.6 Ų88.655%0.54546%0.455SS..EExtended strand (participates in β ladder)trans-122.9136.6175.3-63.60000108.9V71 T72V71-S104 CarbonylContact O-C 3.47Å; V71-S104 WeakPolarHBondContact O-CA 3.29Å; T72-S104 PolarHBondContact OG1-OG 3.35Å
105Y97.1Very high94.6Very high27 Ų2793.9 Ų93.911%0.10647%0.474CS..EExtended strand (participates in β ladder)trans-133.5150.8-175.4-60.2-92.2000109.1Q70 V71 V73 R103 E109 F110 E113Q70-Y105 CarbonylContact C-O 3.51Å; Q70-Y105 VanDerWaalsContact CA-O 3.3Å; Q70-Y105 WeakPolarHBondContact CA-O 3.33Å; V71-Y105 PolarHBondContact N-O 2.89Å; V71-Y105 PolarHBondContact O-N 3.46Å; V73-Y105 HydrophobicContact CB-CE2 4.37Å; V73-Y105 HydrophobicContact CG2-CD2 3.99Å; V73-Y105 HydrophobicContact CG2-CE2 3.83Å; R103-Y105 HydrophobicContact CB-CD2 4.28Å; R103-Y105 HydrophobicContact CB-CE2 3.49Å; R103-Y105 VanDerWaalsContact CB-CE2 3.49Å; R103-Y105 WeakPolarHBondContact CD-OH 3.47Å; R103-Y105 PolarHBondContact NH1-OH 3.04Å; Y105-E109 HydrophobicContact CD1-CB 4.2Å; Y105-F110 AromaticContact CD2-CD2 3.94Å; Y105-F110 HydrophobicContact CD2-CD2 3.94Å; Y105-F110 HydrophobicContact CE2-CD2 4.34Å; Y105-F110 HydrophobicContact CG-CB 4.34Å; Y105-F110 HydrophobicContact CG-CD2 4.21Å; Y105-E113 HydrophobicContact CE1-CB 4.44Å; Y105-E113 HydrophobicContact CE1-CG 4.26Å; Y105-E113 PolarHBondContact OH-OE1 3.13Å
106T96.6Very high94.4Very high58 Ų5890.3 Ų90.336%0.35646%0.461SS..EExtended strand (participates in β ladder)trans-68.5164157.663.50000110.3C108 E109 F110T106-C108 VanDerWaalsContact C-N 3.26Å; T106-C108 PolarHBondContact O-N 3.36Å; T106-E109 WeakPolarHBondContact CB-OE2 3.47Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.27Å; T106-E109 PolarHBondContact N-OE2 3.12Å; T106-E109 PolarHBondContact O-N 2.7Å; T106-E109 WeakPolarHBondContact OG1-CB 3.1Å; T106-E109 WeakPolarHBondContact OG1-CG 3.32Å; T106-E109 PolarHBondContact OG1-N 3.45Å; T106-E109 PolarHBondContact OG1-OE2 2.82Å; T106-F110 WeakPolarHBondContact O-CB 3.29Å; T106-F110 PolarHBondContact O-N 3.39Å
107L94.4Very high94.1Very high79 Ų7992.7 Ų92.741%0.41447%0.471SS..Hα-helixtrans-57.3-39174.9-65.4-175.4000112.8F68 D69 V71 A111F68-L107 HydrophobicContact CB-CD1 4.17Å; F68-L107 HydrophobicContact CB-CD2 4.21Å; F68-L107 VanDerWaalsContact O-CD1 3.27Å; F68-L107 WeakPolarHBondContact O-CD1 3.13Å; D69-L107 PolarHBondContact O-N 3.4Å; V71-L107 HydrophobicContact CG2-CD2 3.81Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.38Å
108C93.8Very high93.7Very high92 Ų9285.1 Ų85.162%0.62244%0.435SS*.Hα-helixtrans-70-44.8-178.9-650000112.1T106 F110 A111 Q112T106-C108 VanDerWaalsContact C-N 3.26Å; T106-C108 PolarHBondContact O-N 3.36Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 3.47Å; C108-A111 PolarHBondContact O-N 2.96Å; C108-Q112 WeakPolarHBondContact O-CG 3.5Å; C108-Q112 PolarHBondContact O-N 3.17Å; C108-Q112 VanDerWaalsContact O-N 3.12Å
109E95.6Very high93.2Very high99 Ų9980.2 Ų80.246%0.46342%0.417SS..Hα-helixtrans-63.3-41.8176.7-70.5162.1159.900111.1Y105 T106 A111 Q112 E113Y105-E109 HydrophobicContact CD1-CB 4.2Å; T106-E109 WeakPolarHBondContact CB-OE2 3.47Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.27Å; T106-E109 PolarHBondContact N-OE2 3.12Å; T106-E109 PolarHBondContact O-N 2.7Å; T106-E109 WeakPolarHBondContact OG1-CB 3.1Å; T106-E109 WeakPolarHBondContact OG1-CG 3.32Å; T106-E109 PolarHBondContact OG1-N 3.45Å; T106-E109 PolarHBondContact OG1-OE2 2.82Å; E109-A111 VanDerWaalsContact C-N 3.34Å; E109-A111 PolarHBondContact O-N 3.36Å; E109-Q112 PolarHBondContact O-N 3.46Å; E109-E113 WeakPolarHBondContact O-CB 3.41Å; E109-E113 PolarHBondContact O-N 3.21Å
110F95.3Very high92.8Very high53 Ų5380.7 Ų80.723%0.23242%0.419CS..Hα-helixtrans-67.1-35.8178.7-170.6-109000112.4V71 V73 Y105 T106 C108 E113 Q114V71-F110 HydrophobicContact CB-CB 4.13Å; V71-F110 HydrophobicContact CB-CD1 4.27Å; V71-F110 HydrophobicContact CB-CD2 4.3Å; V71-F110 HydrophobicContact CB-CG 3.97Å; V71-F110 HydrophobicContact CG1-CD1 3.95Å; V71-F110 HydrophobicContact CG1-CD2 3.91Å; V71-F110 HydrophobicContact CG1-CE1 4.04Å; V71-F110 HydrophobicContact CG1-CE2 4.03Å; V71-F110 HydrophobicContact CG1-CG 3.86Å; V71-F110 HydrophobicContact CG1-CZ 4.07Å; V71-F110 HydrophobicContact CG2-CB 3.91Å; V71-F110 HydrophobicContact CG2-CD1 3.88Å; V71-F110 HydrophobicContact CG2-CG 3.92Å; V73-F110 HydrophobicContact CG2-CD2 4.13Å; V73-F110 HydrophobicContact CG2-CE2 3.56Å; V73-F110 HydrophobicContact CG2-CZ 4.34Å; Y105-F110 AromaticContact CD2-CD2 3.94Å; Y105-F110 HydrophobicContact CD2-CD2 3.94Å; Y105-F110 HydrophobicContact CE2-CD2 4.34Å; Y105-F110 HydrophobicContact CG-CB 4.34Å; Y105-F110 HydrophobicContact CG-CD2 4.21Å; T106-F110 WeakPolarHBondContact O-CB 3.29Å; T106-F110 PolarHBondContact O-N 3.39Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 3.47Å; F110-E113 PolarHBondContact O-N 3.48Å; F110-Q114 HydrophobicContact CD1-CG 4.06Å; F110-Q114 HydrophobicContact CE1-CG 3.68Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 3.86Å; F110-Q114 WeakPolarHBondContact O-CB 3.46Å; F110-Q114 WeakPolarHBondContact O-CG 3.35Å; F110-Q114 PolarHBondContact O-N 2.94Å
111A91.9Very high92.3Very high58 Ų5878.4 Ų78.448%0.47941%0.406SS..Hα-helixtrans-61.8-44.5173.800000111.5L107 C108 E109 Q114 E115L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.38Å; C108-A111 PolarHBondContact O-N 2.96Å; E109-A111 VanDerWaalsContact C-N 3.34Å; E109-A111 PolarHBondContact O-N 3.36Å; A111-Q114 PolarHBondContact O-N 3.46Å; A111-E115 WeakPolarHBondContact O-CB 3.45Å; A111-E115 PolarHBondContact O-N 2.97Å
112Q93.2Very high91.7Very high126 Ų12676.3 Ų76.359%0.58939%0.391SS*.Hα-helixtrans-64-42.5174.9-68.7174.58.400111.9C108 E109 Q114 E115 V116C108-Q112 WeakPolarHBondContact O-CG 3.5Å; C108-Q112 PolarHBondContact O-N 3.17Å; C108-Q112 VanDerWaalsContact O-N 3.12Å; E109-Q112 PolarHBondContact O-N 3.46Å; Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 3.19Å; Q112-E115 PolarHBondContact O-N 3.04Å; Q112-V116 VanDerWaalsContact O-CG2 3.3Å; Q112-V116 WeakPolarHBondContact O-CG2 3.29Å; Q112-V116 PolarHBondContact O-N 2.93Å
113E93.1Very high91.2Very high73 Ų7377 Ų7734%0.34139%0.387SS..Hα-helixtrans-59.5-43.8175.9-173.783.9158.400111.2R103 Y105 E109 F110 N117R103-E113 IonicContact NH1-OE1 3.57Å; Y105-E113 HydrophobicContact CE1-CB 4.44Å; Y105-E113 HydrophobicContact CE1-CG 4.26Å; Y105-E113 PolarHBondContact OH-OE1 3.13Å; E109-E113 WeakPolarHBondContact O-CB 3.41Å; E109-E113 PolarHBondContact O-N 3.21Å; F110-E113 PolarHBondContact O-N 3.48Å; E113-N117 VanDerWaalsContact O-CB 3.27Å; E113-N117 WeakPolarHBondContact O-CB 3.43Å; E113-N117 PolarHBondContact O-N 2.68Å
114Q89.7Confident90.7Very high95 Ų9575.9 Ų75.944%0.44439%0.387SS..Hα-helixtrans-63.9-43.4176-74.5-63.2-44.600111.9F110 A111 Q112 N117 H118F110-Q114 HydrophobicContact CD1-CG 4.06Å; F110-Q114 HydrophobicContact CE1-CG 3.68Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 3.86Å; F110-Q114 WeakPolarHBondContact O-CB 3.46Å; F110-Q114 WeakPolarHBondContact O-CG 3.35Å; F110-Q114 PolarHBondContact O-N 2.94Å; A111-Q114 PolarHBondContact O-N 3.46Å; Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 3.19Å; Q114-N117 PolarHBondContact O-N 3.1Å; Q114-H118 WeakPolarHBondContact O-CB 3.44Å; Q114-H118 PolarHBondContact O-N 2.81Å
115E88.4Confident90.1Very high128 Ų12874.6 Ų74.660%0.59837%0.372SS*.Hα-helixtrans-63-44.2178-177.2171.4-160.400112A111 Q112 H118 R119A111-E115 WeakPolarHBondContact O-CB 3.45Å; A111-E115 PolarHBondContact O-N 2.97Å; Q112-E115 PolarHBondContact O-N 3.04Å; E115-H118 PolarHBondContact O-N 3.35Å; E115-R119 WeakPolarHBondContact O-CB 3.32Å; E115-R119 PolarHBondContact O-N 2.68Å
116V89.8Confident89.6Confident67 Ų6774.3 Ų74.341%0.40637%0.372SS..Hα-helixtrans-62.1-48.3175.4172.30000110.8Q112 H118 R119 E120Q112-V116 VanDerWaalsContact O-CG2 3.3Å; Q112-V116 WeakPolarHBondContact O-CG2 3.29Å; Q112-V116 PolarHBondContact O-N 2.93Å; V116-H118 VanDerWaalsContact C-N 3.34Å; V116-H118 PolarHBondContact O-N 3.11Å; V116-R119 PolarHBondContact O-N 2.97Å; V116-E120 WeakPolarHBondContact O-CB 3.08Å; V116-E120 PolarHBondContact O-N 3.38Å
117N88.3Confident89.2Confident70 Ų7073.4 Ų73.437%0.37436%0.364SS..Hα-helixtrans-62.8-42.3-179.9-176.2-105.5000111.9E113 Q114 E120 I121E113-N117 VanDerWaalsContact O-CB 3.27Å; E113-N117 WeakPolarHBondContact O-CB 3.43Å; E113-N117 PolarHBondContact O-N 2.68Å; Q114-N117 PolarHBondContact O-N 3.1Å; N117-E120 WeakPolarHBondContact O-CB 3.18Å; N117-E120 PolarHBondContact O-N 2.94Å; N117-I121 WeakPolarHBondContact O-CG1 3.42Å; N117-I121 PolarHBondContact O-N 3.25Å; N117-I121 VanDerWaalsContact OD1-CD1 3.29Å; N117-I121 WeakPolarHBondContact OD1-CD1 3.5Å
118H84.1Confident88.9Confident34 Ų3473.7 Ų73.716%0.15736%0.363CS..Hα-helixtrans-60.8-48.5177-177.9104.6000111.6Q114 E115 V116 E120 I121 L122 V169 F174Q114-H118 WeakPolarHBondContact O-CB 3.44Å; Q114-H118 PolarHBondContact O-N 2.81Å; E115-H118 PolarHBondContact O-N 3.35Å; V116-H118 VanDerWaalsContact C-N 3.34Å; V116-H118 PolarHBondContact O-N 3.11Å; H118-E120 VanDerWaalsContact C-N 3.27Å; H118-E120 PolarHBondContact O-N 3.49Å; H118-I121 PolarHBondContact O-N 3.1Å; H118-L122 WeakPolarHBondContact O-CB 3.35Å; H118-L122 PolarHBondContact O-N 2.87Å; H118-V169 WeakPolarHBondContact CE1-CG1 3.38Å; H118-V169 WeakPolarHBondContact NE2-CB 3.33Å; H118-V169 WeakPolarHBondContact NE2-CG1 3Å; H118-V169 VanDerWaalsContact NE2-CG2 3.33Å; H118-V169 WeakPolarHBondContact NE2-CG2 3.35Å; H118-F174 AromaticContact CD2-CZ 3.67Å; H118-F174 AromaticContact CE1-CD2 3.32Å; H118-F174 WeakPolarHBondContact CE1-CD2 2.95Å; H118-F174 AromaticContact CE1-CE1 3.68Å; H118-F174 AromaticContact CE1-CE2 2.73Å; H118-F174 WeakPolarHBondContact CE1-CE2 3.16Å; H118-F174 AromaticContact CE1-CZ 2.92Å; H118-F174 WeakPolarHBondContact CE1-CZ 3.23Å; H118-F174 AromaticContact CG-CE1 3.92Å; H118-F174 AromaticContact CG-CZ 3.67Å; H118-F174 AromaticContact ND1-CD1 3.96Å; H118-F174 AromaticContact ND1-CD2 3.75Å; H118-F174 AromaticContact ND1-CE1 3.44Å; H118-F174 WeakPolarHBondContact ND1-CE1 3.46Å; H118-F174 AromaticContact ND1-CE2 3.38Å; H118-F174 WeakPolarHBondContact ND1-CE2 3.32Å; H118-F174 AromaticContact ND1-CZ 3.18Å; H118-F174 WeakPolarHBondContact ND1-CZ 3.47Å; H118-F174 AromaticContact NE2-CE2 3.23Å; H118-F174 WeakPolarHBondContact NE2-CE2 2.92Å; H118-F174 AromaticContact NE2-CZ 3.16Å; H118-F174 WeakPolarHBondContact NE2-CZ 2.73Å
119R85.2Confident88.6Confident106 Ų10674 Ų7440%0.436%0.355SS..Hα-helixtrans-61.6-36.3177-172.8176.659.4-140.3-1.5112.1E115 V116 R123 V164E115-R119 WeakPolarHBondContact O-CB 3.32Å; E115-R119 PolarHBondContact O-N 2.68Å; V116-R119 PolarHBondContact O-N 2.97Å; R119-R123 WeakPolarHBondContact O-CB 2.99Å; R119-R123 PolarHBondContact O-N 2.77Å; R119-V164 HydrophobicContact CG-CG1 3.67Å
120E87.9Confident88.3Confident96 Ų9674.3 Ų74.345%0.44936%0.355SS..Hα-helixtrans-66.4-47.9175.6-174.8174.5-14800111.9V116 N117 H118 L122 R123 E124V116-E120 WeakPolarHBondContact O-CB 3.08Å; V116-E120 PolarHBondContact O-N 3.38Å; N117-E120 WeakPolarHBondContact O-CB 3.18Å; N117-E120 PolarHBondContact O-N 2.94Å; H118-E120 VanDerWaalsContact C-N 3.27Å; H118-E120 PolarHBondContact O-N 3.49Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 2.87Å; E120-R123 WeakPolarHBondContact O-CB 3.38Å; E120-R123 PolarHBondContact O-N 3.01Å; E120-E124 PolarHBondContact O-N 3.44Å
121I85.3Confident88.1Confident69 Ų6972.7 Ų72.735%0.35435%0.349SS..Hα-helixtrans-58.8-43.7175.8-68.9165.8000110.8N117 H118 E124 H125 F174N117-I121 WeakPolarHBondContact O-CG1 3.42Å; N117-I121 PolarHBondContact O-N 3.25Å; N117-I121 VanDerWaalsContact OD1-CD1 3.29Å; N117-I121 WeakPolarHBondContact OD1-CD1 3.5Å; H118-I121 PolarHBondContact O-N 3.1Å; I121-E124 PolarHBondContact O-N 3.44Å; I121-H125 PolarHBondContact O-N 3.11Å; I121-F174 HydrophobicContact CB-CE1 4.02Å; I121-F174 HydrophobicContact CD1-CE1 4.42Å; I121-F174 HydrophobicContact CG2-CD1 4.24Å; I121-F174 HydrophobicContact CG2-CE1 3.67Å
122L84.7Confident87.9Confident3 Ų375.2 Ų75.22%0.01635%0.35CS..Hα-helixtrans-61.5-45.2177.9-178.456.6000111.5H118 E120 E124 H125 L126 V164 V167 Y172H118-L122 WeakPolarHBondContact O-CB 3.35Å; H118-L122 PolarHBondContact O-N 2.87Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 2.87Å; L122-E124 PolarHBondContact O-N 3.39Å; L122-H125 PolarHBondContact O-N 2.95Å; L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CD1-CG 4.48Å; L122-L126 HydrophobicContact CG-CD1 4.23Å; L122-L126 WeakPolarHBondContact O-CG 3.49Å; L122-L126 PolarHBondContact O-N 3.21Å; L122-V164 HydrophobicContact CD2-CG1 3.95Å; L122-V164 HydrophobicContact CG-CG1 4.22Å; L122-V167 HydrophobicContact CD1-CG1 3.93Å; L122-V167 HydrophobicContact CD2-CB 4.19Å; L122-V167 HydrophobicContact CD2-CG1 3.99Å; L122-V167 HydrophobicContact CG-CG1 4.47Å; L122-Y172 HydrophobicContact CD1-CD1 3.26Å; L122-Y172 HydrophobicContact CD1-CD2 3.57Å; L122-Y172 HydrophobicContact CD1-CE1 3.25Å; L122-Y172 HydrophobicContact CD1-CE2 3.66Å; L122-Y172 HydrophobicContact CD1-CG 3.4Å; L122-Y172 VanDerWaalsContact CD1-CZ 3.46Å
123R86.3Confident87.8Confident77 Ų7771.3 Ų71.329%0.29134%0.339SS..Hα-helixtrans-59.6-46.9175.4-174.6-174.6-66.9110.6-1.7111.6R119 E120 H125 L126 K127 I162 V164R119-R123 WeakPolarHBondContact O-CB 2.99Å; R119-R123 PolarHBondContact O-N 2.77Å; E120-R123 WeakPolarHBondContact O-CB 3.38Å; E120-R123 PolarHBondContact O-N 3.01Å; R123-H125 VanDerWaalsContact C-N 3.32Å; R123-H125 PolarHBondContact O-N 3.29Å; R123-L126 PolarHBondContact O-N 3.28Å; R123-K127 WeakPolarHBondContact O-CG 3.38Å; R123-K127 PolarHBondContact O-N 3.37Å; R123-I162 HydrophobicContact CG-CD1 3.85Å; R123-I162 HydrophobicContact CG-CG2 4.39Å; R123-V164 HydrophobicContact CB-CG2 4.07Å; R123-V164 HydrophobicContact CG-CG2 4.21Å
124E86.6Confident87.6Confident106 Ų10671.8 Ų71.850%0.49534%0.34SS..Hα-helixtrans-58.8-43.7177-74.4-173.2165.600111.7E120 I121 L122 K127 E128E120-E124 PolarHBondContact O-N 3.44Å; I121-E124 PolarHBondContact O-N 3.44Å; L122-E124 PolarHBondContact O-N 3.39Å; E124-K127 WeakPolarHBondContact O-CB 3.47Å; E124-K127 PolarHBondContact O-N 2.93Å; E124-E128 WeakPolarHBondContact O-CG 3.5Å; E124-E128 PolarHBondContact O-N 2.66Å
125H84.3Confident87.6Confident51 Ų5170 Ų7024%0.23633%0.331CS..Hα-helixtrans-63.1-47178.2-171.1-83.1000112.3I121 L122 R123 K127 E128 E129 Y172I121-H125 PolarHBondContact O-N 3.11Å; L122-H125 PolarHBondContact O-N 2.95Å; R123-H125 VanDerWaalsContact C-N 3.32Å; R123-H125 PolarHBondContact O-N 3.29Å; H125-K127 VanDerWaalsContact C-N 3.27Å; H125-K127 PolarHBondContact O-N 3.5Å; H125-E128 WeakPolarHBondContact O-CB 3.22Å; H125-E128 PolarHBondContact O-N 3.32Å; H125-E128 VanDerWaalsContact O-N 3.1Å; H125-E129 VanDerWaalsContact CE1-CD 3.45Å; H125-E129 IonicContact CE1-OE1 3.46Å; H125-E129 PolarHBondContact CE1-OE1 2.92Å; H125-E129 VanDerWaalsContact CE1-OE1 3.23Å; H125-E129 IonicContact ND1-OE1 2.81Å; H125-E129 IonicContact ND1-OE2 3.93Å; H125-E129 PolarHBondContact O-N 3.37Å; H125-Y172 HydrophobicContact CB-CE1 4.24Å; H125-Y172 AromaticContact CE1-CE1 3.91Å; H125-Y172 AromaticContact CG-CE1 3.87Å; H125-Y172 AromaticContact ND1-CE1 3.36Å; H125-Y172 WeakPolarHBondContact ND1-CE1 3.45Å
126L86.9Confident87.7Confident20 Ų2067.1 Ų67.111%0.10532%0.319CS..Hα-helixtrans-60.8-37.7176.8-72.1169.2000111.7L122 R123 E129 K130 I162 V164 V167 Y172L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CD1-CG 4.48Å; L122-L126 HydrophobicContact CG-CD1 4.23Å; L122-L126 WeakPolarHBondContact O-CG 3.49Å; L122-L126 PolarHBondContact O-N 3.21Å; R123-L126 PolarHBondContact O-N 3.28Å; L126-E129 PolarHBondContact O-N 2.92Å; L126-K130 WeakPolarHBondContact O-CB 3.36Å; L126-K130 WeakPolarHBondContact O-CG 3.28Å; L126-K130 PolarHBondContact O-N 3.1Å; L126-I162 HydrophobicContact CB-CG2 3.63Å; L126-I162 HydrophobicContact CD1-CG2 3.57Å; L126-I162 HydrophobicContact CG-CG2 4.25Å; L126-V164 HydrophobicContact CD1-CG2 4.32Å; L126-V167 HydrophobicContact CD1-CG2 4.31Å; L126-Y172 WeakPolarHBondContact CD2-OH 3.37Å
127K89.2Confident87.7Confident39 Ų3972.1 Ų72.117%0.1734%0.335CS..Hα-helixtrans-61.5-46.5171.7-74.3-176.5178.2-175.10111.8R123 E124 H125 E129 K130 L131 L154 V157 D159 I162R123-K127 WeakPolarHBondContact O-CG 3.38Å; R123-K127 PolarHBondContact O-N 3.37Å; E124-K127 WeakPolarHBondContact O-CB 3.47Å; E124-K127 PolarHBondContact O-N 2.93Å; H125-K127 VanDerWaalsContact C-N 3.27Å; H125-K127 PolarHBondContact O-N 3.5Å; K127-E129 VanDerWaalsContact C-N 3.32Å; K127-E129 PolarHBondContact O-N 3.34Å; K127-K130 PolarHBondContact O-N 2.99Å; K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 2.59Å; K127-L154 HydrophobicContact CB-CD2 4.12Å; K127-V157 HydrophobicContact CG-CG1 4.43Å; K127-D159 WeakPolarHBondContact CE-OD1 3.28Å; K127-D159 IonicContact NZ-OD1 3.6Å; K127-D159 PolarHBondContact NZ-OD1 3.08Å; K127-D159 IonicContact NZ-OD2 3.63Å; K127-D159 PolarHBondContact NZ-OD2 3.4Å; K127-I162 HydrophobicContact CD-CD1 3.9Å; K127-I162 HydrophobicContact CG-CD1 3.28Å; K127-I162 HydrophobicContact CG-CG1 4.28Å
128E87.6Confident87.7Confident86 Ų8672 Ų7240%0.40233%0.333SS..Hα-helixtrans-58.2-44.4177.5-75.9-177.4170.500111.3E124 H125 L131 H132 L154E124-E128 WeakPolarHBondContact O-CG 3.5Å; E124-E128 PolarHBondContact O-N 2.66Å; H125-E128 WeakPolarHBondContact O-CB 3.22Å; H125-E128 PolarHBondContact O-N 3.32Å; H125-E128 VanDerWaalsContact O-N 3.1Å; E128-L131 PolarHBondContact O-N 3.34Å; E128-H132 VanDerWaalsContact O-CB 3.28Å; E128-H132 WeakPolarHBondContact O-CB 3.49Å; E128-H132 PolarHBondContact O-N 2.93Å; E128-L154 HydrophobicContact CB-CD2 4.44Å; E128-L154 HydrophobicContact CG-CD2 3.78Å
129E87.7Confident87.9Confident98 Ų9871.2 Ų71.246%0.45833%0.332SS..Hα-helixtrans-65.7-44.7177.9-71.2-169.1144.600112.8H125 L126 K127 H132 A133H125-E129 VanDerWaalsContact CE1-CD 3.45Å; H125-E129 IonicContact CE1-OE1 3.46Å; H125-E129 PolarHBondContact CE1-OE1 2.92Å; H125-E129 VanDerWaalsContact CE1-OE1 3.23Å; H125-E129 IonicContact ND1-OE1 2.81Å; H125-E129 IonicContact ND1-OE2 3.93Å; H125-E129 PolarHBondContact O-N 3.37Å; L126-E129 PolarHBondContact O-N 2.92Å; K127-E129 VanDerWaalsContact C-N 3.32Å; K127-E129 PolarHBondContact O-N 3.34Å; E129-H132 PolarHBondContact O-N 3.31Å; E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.48Å
130K89.8Confident88Confident106 Ų10673.1 Ų73.146%0.46134%0.343SS..Hα-helixtrans-62.6-43.9176.4-71.8-83-176.3154.30111.4L126 K127 A133 K134 V157 D161L126-K130 WeakPolarHBondContact O-CB 3.36Å; L126-K130 WeakPolarHBondContact O-CG 3.28Å; L126-K130 PolarHBondContact O-N 3.1Å; K127-K130 PolarHBondContact O-N 2.99Å; K130-A133 PolarHBondContact O-N 3.26Å; K130-K134 WeakPolarHBondContact O-CB 3.1Å; K130-K134 PolarHBondContact O-N 3.09Å; K130-V157 HydrophobicContact CB-CG1 3.88Å; K130-V157 HydrophobicContact CB-CG2 4.5Å; K130-D161 PolarHBondContact NZ-O 3.28Å
131L90.6Very high87.8Confident19 Ų1975.2 Ų75.210%0.09936%0.357CS..Hα-helixtrans-59.9-48174.7177.962.1000110.4K127 E128 A133 K134 K135 L152 T153 L154 V157K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 2.59Å; E128-L131 PolarHBondContact O-N 3.34Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.42Å; L131-K134 WeakPolarHBondContact O-CB 3.32Å; L131-K134 PolarHBondContact O-N 3.41Å; L131-K135 WeakPolarHBondContact O-CG 3.48Å; L131-K135 PolarHBondContact O-N 3.34Å; L131-L152 HydrophobicContact CD1-CB 3.65Å; L131-T153 WeakPolarHBondContact CD1-O 3.47Å; L131-L154 HydrophobicContact CB-CD2 4.46Å; L131-L154 HydrophobicContact CD2-CD2 3.76Å; L131-L154 HydrophobicContact CD2-CG 4.2Å; L131-V157 HydrophobicContact CB-CG2 3.9Å; L131-V157 HydrophobicContact CD1-CG2 4.36Å
132H87.8Confident87.6Confident111 Ų11174.4 Ų74.451%0.51437%0.366SS..Hα-helixtrans-59.7-44.1177.6-178.1-97.9000111.6E128 E129 K134 K135 M136E128-H132 VanDerWaalsContact O-CB 3.28Å; E128-H132 WeakPolarHBondContact O-CB 3.49Å; E128-H132 PolarHBondContact O-N 2.93Å; E129-H132 PolarHBondContact O-N 3.31Å; H132-K134 PolarHBondContact O-N 2.87Å; H132-K135 PolarHBondContact O-N 3.25Å; H132-M136 VanDerWaalsContact NE2-CE 3.32Å; H132-M136 WeakPolarHBondContact NE2-CE 3.38Å; H132-M136 WeakPolarHBondContact O-CB 3.46Å; H132-M136 WeakPolarHBondContact O-CG 3.31Å; H132-M136 PolarHBondContact O-N 2.83Å
133A90.8Very high87.4Confident43 Ų4380 Ų8036%0.35540%0.4SS..Hα-helixtrans-61.7-41.2175.600000112.3E129 K130 L131 M136 K137E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.48Å; K130-A133 PolarHBondContact O-N 3.26Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.42Å; A133-M136 PolarHBondContact O-N 3.08Å; A133-K137 WeakPolarHBondContact O-CG 3.44Å; A133-K137 PolarHBondContact O-N 3.04Å
134K89.4Confident87.5Confident83 Ų8379.7 Ų79.736%0.36141%0.407SS..Hα-helixtrans-62.9-45175.4-170.1176.8175.8-175.50111.2K130 L131 H132 M136 K137 L138 L152 D156K130-K134 WeakPolarHBondContact O-CB 3.1Å; K130-K134 PolarHBondContact O-N 3.09Å; L131-K134 WeakPolarHBondContact O-CB 3.32Å; L131-K134 PolarHBondContact O-N 3.41Å; H132-K134 PolarHBondContact O-N 2.87Å; K134-M136 PolarHBondContact O-N 3.35Å; K134-K137 PolarHBondContact O-N 3.02Å; K134-L138 WeakPolarHBondContact O-CG 3.44Å; K134-L138 PolarHBondContact O-N 2.72Å; K134-L138 VanDerWaalsContact O-N 3.09Å; K134-L152 HydrophobicContact CB-CD1 4.45Å; K134-L152 HydrophobicContact CD-CD1 3.74Å; K134-L152 HydrophobicContact CD-CD2 4.4Å; K134-L152 HydrophobicContact CG-CD1 3.76Å; K134-D156 PolarHBondContact NZ-O 3.24Å
135K89.8Confident87.4Confident58 Ų5883.9 Ų83.925%0.25243%0.426SS..Hα-helixtrans-61.1-42.9174.2-69.2-169.3-175.9-148.80112L131 H132 K137 L138 T139 A149 L152L131-K135 WeakPolarHBondContact O-CG 3.48Å; L131-K135 PolarHBondContact O-N 3.34Å; H132-K135 PolarHBondContact O-N 3.25Å; K135-K137 VanDerWaalsContact C-N 3.34Å; K135-K137 PolarHBondContact O-N 3.5Å; K135-L138 PolarHBondContact O-N 3.48Å; K135-T139 WeakPolarHBondContact O-CB 3.25Å; K135-T139 WeakPolarHBondContact O-CG2 3.44Å; K135-T139 PolarHBondContact O-N 3.28Å; K135-T139 PolarHBondContact O-OG1 2.98Å; K135-A149 HydrophobicContact CB-CB 4.42Å; K135-A149 WeakPolarHBondContact CD-O 3.31Å; K135-A149 WeakPolarHBondContact CE-O 3.37Å; K135-A149 HydrophobicContact CG-CB 4.39Å; K135-A149 PolarHBondContact NZ-O 2.87Å; K135-L152 WeakPolarHBondContact CE-O 3.45Å; K135-L152 HydrophobicContact CG-CD1 4.37Å; K135-L152 PolarHBondContact NZ-O 3.34Å
136M89.8Confident87.5Confident68 Ų6882.5 Ų82.534%0.33542%0.422SS..Hα-helixtrans-64.1-37.6177.7-74.8-63.415400112.7H132 A133 K134 T139 K140 N141H132-M136 VanDerWaalsContact NE2-CE 3.32Å; H132-M136 WeakPolarHBondContact NE2-CE 3.38Å; H132-M136 WeakPolarHBondContact O-CB 3.46Å; H132-M136 WeakPolarHBondContact O-CG 3.31Å; H132-M136 PolarHBondContact O-N 2.83Å; A133-M136 PolarHBondContact O-N 3.08Å; K134-M136 PolarHBondContact O-N 3.35Å; M136-T139 WeakPolarHBondContact CA-OG1 3.41Å; M136-T139 PolarHBondContact O-OG1 3.49Å; M136-K140 PolarHBondContact O-N 2.73Å; M136-N141 PolarHBondContact O-N 2.88Å
137K89.9Confident87.5Confident172 Ų17287.8 Ų87.875%0.74846%0.455SS*.Hα-helixtrans-64.3-45.1174.4-72.8173.2-177.5-179.10111.9A133 K134 K135 K140A133-K137 WeakPolarHBondContact O-CG 3.44Å; A133-K137 PolarHBondContact O-N 3.04Å; K134-K137 PolarHBondContact O-N 3.02Å; K135-K137 VanDerWaalsContact C-N 3.34Å; K135-K137 PolarHBondContact O-N 3.5Å; K137-K140 PolarHBondContact O-N 3.2Å
138L87.8Confident87.4Confident66 Ų6692.6 Ų92.635%0.34648%0.478SS..Hα-helixtrans-68.8-32.9-179.9-70.6173.2000113.1K134 K135 K140 E148 A149 L152K134-L138 WeakPolarHBondContact O-CG 3.44Å; K134-L138 PolarHBondContact O-N 2.72Å; K134-L138 VanDerWaalsContact O-N 3.09Å; K135-L138 PolarHBondContact O-N 3.48Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-E148 HydrophobicContact CD1-CB 4.42Å; L138-A149 HydrophobicContact CB-CB 3.95Å; L138-A149 HydrophobicContact CD1-CB 4.25Å; L138-L152 HydrophobicContact CD1-CD1 3.61Å
139T89.4Confident87.1Confident19 Ų1988.5 Ų88.512%0.11746%0.459CS..THydrogen-bonded Turntrans-89.25.5-179.756.10000113.8K135 M136 N141 G142 T143 V144 A149K135-T139 WeakPolarHBondContact O-CB 3.25Å; K135-T139 WeakPolarHBondContact O-CG2 3.44Å; K135-T139 PolarHBondContact O-N 3.28Å; K135-T139 PolarHBondContact O-OG1 2.98Å; M136-T139 WeakPolarHBondContact CA-OG1 3.41Å; M136-T139 PolarHBondContact O-OG1 3.49Å; T139-N141 PolarHBondContact O-N 2.77Å; T139-G142 PolarHBondContact O-N 3.43Å; T139-G142 PolarHBondContact OG1-N 2.91Å; T139-G142 VanDerWaalsContact OG1-N 3.13Å; T139-T143 PolarHBondContact O-N 3.03Å; T139-V144 VanDerWaalsContact CA-O 3.24Å; T139-V144 WeakPolarHBondContact CA-O 3.07Å; T139-V144 WeakPolarHBondContact CB-O 2.79Å; T139-V144 WeakPolarHBondContact CG2-O 3.14Å; T139-V144 PolarHBondContact O-N 3.27Å; T139-A149 HydrophobicContact CG2-CB 3.68Å
140K87Confident87Confident146 Ų14690 Ų9064%0.63547%0.47SS*.THydrogen-bonded Turntrans47.960.9-171.1-62.7-179.2-178.2173.40111.2M136 K137 L138 G142 T143 V144M136-K140 PolarHBondContact O-N 2.73Å; K137-K140 PolarHBondContact O-N 3.2Å; L138-K140 VanDerWaalsContact C-N 3.34Å; K140-G142 VanDerWaalsContact C-N 3.28Å; K140-G142 PolarHBondContact O-N 3.33Å; K140-T143 WeakPolarHBondContact O-CB 3.42Å; K140-T143 PolarHBondContact O-N 2.92Å; K140-T143 PolarHBondContact O-OG1 3.1Å; K140-V144 HydrophobicContact CB-CG2 4.4Å; K140-V144 HydrophobicContact CD-CG2 4.11Å
141N83.3Confident86.8Confident140 Ų14087.5 Ų87.575%0.74948%0.475SS*.THydrogen-bonded Turntrans61.132.9-179-59.270000113.5M136 T139 T143M136-N141 PolarHBondContact O-N 2.88Å; T139-N141 PolarHBondContact O-N 2.77Å; N141-T143 VanDerWaalsContact C-N 3.34Å
142G79.9Confident86.6Confident52 Ų5287.6 Ų87.654%0.53648%0.475SS..THydrogen-bonded Turntrans81.47.2-178.900000115.1T139 K140T139-G142 PolarHBondContact O-N 3.43Å; T139-G142 PolarHBondContact OG1-N 2.91Å; T139-G142 VanDerWaalsContact OG1-N 3.13Å; K140-G142 VanDerWaalsContact C-N 3.28Å; K140-G142 PolarHBondContact O-N 3.33Å
143T81.3Confident86.6Confident120 Ų12085.5 Ų85.574%0.73647%0.47SS*.THydrogen-bonded Turntrans-81.3-21.7-179.8-41.80000112.5T139 K140 N141T139-T143 PolarHBondContact O-N 3.03Å; K140-T143 WeakPolarHBondContact O-CB 3.42Å; K140-T143 PolarHBondContact O-N 2.92Å; K140-T143 PolarHBondContact O-OG1 3.1Å; N141-T143 VanDerWaalsContact C-N 3.34Å
144V87.8Confident86.2Confident71 Ų7186.7 Ų86.743%0.4347%0.47SS..SBendtrans-129127.1-175.8-178.20000109.9T139 K140T139-V144 VanDerWaalsContact CA-O 3.24Å; T139-V144 WeakPolarHBondContact CA-O 3.07Å; T139-V144 WeakPolarHBondContact CB-O 2.79Å; T139-V144 WeakPolarHBondContact CG2-O 3.14Å; T139-V144 PolarHBondContact O-N 3.27Å; K140-V144 HydrophobicContact CB-CG2 4.4Å; K140-V144 HydrophobicContact CD-CG2 4.11Å
145E84.8Confident86Confident193 Ų19390 Ų9090%0.90249%0.492SS*.  trans-66.8133.5171-68.6-174.4160.100110.2
146S86.2Confident85.8Confident22 Ų2291 Ų9115%0.15450%0.5CS..  trans-136.4118.7-179.5173.20000110.3E148 A149 D150S146-E148 PolarHBondContact O-N 3.28Å; S146-E148 PolarHBondContact OG-N 2.86Å; S146-A149 WeakPolarHBondContact O-CB 3.43Å; S146-A149 PolarHBondContact O-N 3.27Å; S146-A149 VanDerWaalsContact O-N 3.07Å; S146-A149 PolarHBondContact OG-N 3.36Å; S146-D150 PolarHBondContact O-N 3.44Å; S146-D150 VanDerWaalsContact O-N 3.12Å
147V88.1Confident85.6Confident131 Ų13188.3 Ų88.379%0.79449%0.487SS*.Hα-helixtrans-60.8-34.8176.4-178.50000111A149 D150 G151V147-A149 VanDerWaalsContact C-N 3.34Å; V147-D150 PolarHBondContact O-N 3.28Å; V147-G151 PolarHBondContact O-N 2.98Å; V147-G151 VanDerWaalsContact O-N 3.14Å
148E86.4Confident85.3Confident140 Ų14082.6 Ų82.665%0.65447%0.469SS*.Hα-helixtrans-64.6-39.7175.4-64.9179.7175.900111.2L138 S146 L152L138-E148 HydrophobicContact CD1-CB 4.42Å; S146-E148 PolarHBondContact O-N 3.28Å; S146-E148 PolarHBondContact OG-N 2.86Å; E148-L152 WeakPolarHBondContact O-CG 3.32Å
149A82.6Confident85Confident1 Ų183.5 Ų83.51%0.00847%0.474CS..Hα-helixtrans-69.3-36.5178.100000112.8K135 L138 T139 S146 V147 L152K135-A149 HydrophobicContact CB-CB 4.42Å; K135-A149 WeakPolarHBondContact CD-O 3.31Å; K135-A149 WeakPolarHBondContact CE-O 3.37Å; K135-A149 HydrophobicContact CG-CB 4.39Å; K135-A149 PolarHBondContact NZ-O 2.87Å; L138-A149 HydrophobicContact CB-CB 3.95Å; L138-A149 HydrophobicContact CD1-CB 4.25Å; T139-A149 HydrophobicContact CG2-CB 3.68Å; S146-A149 WeakPolarHBondContact O-CB 3.43Å; S146-A149 PolarHBondContact O-N 3.27Å; S146-A149 VanDerWaalsContact O-N 3.07Å; S146-A149 PolarHBondContact OG-N 3.36Å; V147-A149 VanDerWaalsContact C-N 3.34Å; A149-L152 PolarHBondContact O-N 3.36Å
150D83.8Confident84.5Confident128 Ų12891.1 Ų91.168%0.68451%0.509SS*.Hα-helixtrans-69.5-34178.9-77-19000112.5S146 V147 L152S146-D150 PolarHBondContact O-N 3.44Å; S146-D150 VanDerWaalsContact O-N 3.12Å; V147-D150 PolarHBondContact O-N 3.28Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 3.3Å
151G86.3Confident83.9Confident54 Ų5488.9 Ų88.956%0.55750%0.504SS*.Hα-helixtrans-73.3-18.3176.900000115V147 T153V147-G151 PolarHBondContact O-N 2.98Å; V147-G151 VanDerWaalsContact O-N 3.14Å; G151-T153 PolarHBondContact O-N 2.97Å
152L85.9Confident83.8Confident22 Ų2283.1 Ų83.112%0.11547%0.473CS..  trans-70.8131.4-178-69.3170.8000112.1L131 K134 K135 L138 E148 A149 D150 D156L131-L152 HydrophobicContact CD1-CB 3.65Å; K134-L152 HydrophobicContact CB-CD1 4.45Å; K134-L152 HydrophobicContact CD-CD1 3.74Å; K134-L152 HydrophobicContact CD-CD2 4.4Å; K134-L152 HydrophobicContact CG-CD1 3.76Å; K135-L152 WeakPolarHBondContact CE-O 3.45Å; K135-L152 HydrophobicContact CG-CD1 4.37Å; K135-L152 PolarHBondContact NZ-O 3.34Å; L138-L152 HydrophobicContact CD1-CD1 3.61Å; E148-L152 WeakPolarHBondContact O-CG 3.32Å; A149-L152 PolarHBondContact O-N 3.36Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 3.3Å; L152-D156 WeakPolarHBondContact CA-OD2 3.21Å; L152-D156 HydrophobicContact CD2-CB 3.74Å
153T88.1Confident83.7Confident66 Ų6684.7 Ų84.741%0.40547%0.469SS..  trans-117.6174.3179.364.20000110.9L131 G151 D155 D156L131-T153 WeakPolarHBondContact CD1-O 3.47Å; G151-T153 PolarHBondContact O-N 2.97Å; T153-D155 PolarHBondContact O-N 3.38Å; T153-D156 PolarHBondContact N-OD2 3.18Å; T153-D156 WeakPolarHBondContact O-CB 3.27Å; T153-D156 PolarHBondContact O-N 2.97Å; T153-D156 PolarHBondContact OG1-OD2 3.19Å
154L82.1Confident83.5Confident69 Ų6980 Ų8036%0.36144%0.44SS..G310 helixtrans-63.3-28.6177.6-68.8172.9000112.2K127 E128 L131 D156 V157K127-L154 HydrophobicContact CB-CD2 4.12Å; E128-L154 HydrophobicContact CB-CD2 4.44Å; E128-L154 HydrophobicContact CG-CD2 3.78Å; L131-L154 HydrophobicContact CB-CD2 4.46Å; L131-L154 HydrophobicContact CD2-CD2 3.76Å; L131-L154 HydrophobicContact CD2-CG 4.2Å; L154-D156 PolarHBondContact O-N 3.45Å; L154-V157 PolarHBondContact O-N 3.28Å
155D86.1Confident82.8Confident152 Ų15285.2 Ų85.281%0.81346%0.46SS*.G310 helixtrans-68.3-17.1178.4-55.8-72.1000112.9T153 V157T153-D155 PolarHBondContact O-N 3.38Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.71Å
156D86.4Confident82.2Confident78 Ų7882 Ų8242%0.41745%0.449SS..G310 helixtrans-84.13.3177.4-60.9-67.9000113.8K134 L152 T153 L154K134-D156 PolarHBondContact NZ-O 3.24Å; L152-D156 WeakPolarHBondContact CA-OD2 3.21Å; L152-D156 HydrophobicContact CD2-CB 3.74Å; T153-D156 PolarHBondContact N-OD2 3.18Å; T153-D156 WeakPolarHBondContact O-CB 3.27Å; T153-D156 PolarHBondContact O-N 2.97Å; T153-D156 PolarHBondContact OG1-OD2 3.19Å; L154-D156 PolarHBondContact O-N 3.45Å
157V84.6Confident81.4Confident12 Ų1282.7 Ų82.77%0.07345%0.452CS..SBendtrans-110.5119.1174.2-178.30000108.3K127 K130 L131 L154 D155K127-V157 HydrophobicContact CG-CG1 4.43Å; K130-V157 HydrophobicContact CB-CG1 3.88Å; K130-V157 HydrophobicContact CB-CG2 4.5Å; L131-V157 HydrophobicContact CB-CG2 3.9Å; L131-V157 HydrophobicContact CD1-CG2 4.36Å; L154-V157 PolarHBondContact O-N 3.28Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.71Å
158S84Confident80.1Confident53 Ų5382.7 Ų82.737%0.37144%0.443SS..  trans-73145.9-177.388.20000111.9E160 D161S158-E160 PolarHBondContact O-N 3.01Å; S158-D161 PolarHBondContact O-N 3.25Å; S158-D161 PolarHBondContact OG-OD2 2.76Å
159D80.4Confident78.8Confident84 Ų8479.7 Ų79.745%0.44943%0.434SS..G310 helixtrans-68.3-25.8-179.6-72.619.4000112.4K127 D161 I162K127-D159 WeakPolarHBondContact CE-OD1 3.28Å; K127-D159 IonicContact NZ-OD1 3.6Å; K127-D159 PolarHBondContact NZ-OD1 3.08Å; K127-D159 IonicContact NZ-OD2 3.63Å; K127-D159 PolarHBondContact NZ-OD2 3.4Å; D159-D161 VanDerWaalsContact C-N 3.28Å; D159-D161 PolarHBondContact O-N 2.97Å; D159-I162 WeakPolarHBondContact O-CB 3.45Å; D159-I162 PolarHBondContact O-N 3.33Å
160E79.4Confident77.5Confident179 Ų17986.5 Ų86.584%0.83647%0.47SS*.G310 helixtrans-70.6-22.1178.8-51.8-57.7137.400112.9S158 I162S158-E160 PolarHBondContact O-N 3.01Å; E160-I162 PolarHBondContact O-N 2.99Å
161D74.9Confident76Confident100 Ų10085.6 Ų85.654%0.53547%0.465SS..G310 helixtrans-82.91.5178.4-66.6-50.8000113.3K130 S158 D159K130-D161 PolarHBondContact NZ-O 3.28Å; S158-D161 PolarHBondContact O-N 3.25Å; S158-D161 PolarHBondContact OG-OD2 2.76Å; D159-D161 VanDerWaalsContact C-N 3.28Å; D159-D161 PolarHBondContact O-N 2.97Å
162I80.8Confident74.6Confident18 Ų1885.3 Ų85.39%0.09245%0.448CS..  trans-108.8106.5-173.3-47.7168.8000109.5R123 L126 K127 D159 E160 V164R123-I162 HydrophobicContact CG-CD1 3.85Å; R123-I162 HydrophobicContact CG-CG2 4.39Å; L126-I162 HydrophobicContact CB-CG2 3.63Å; L126-I162 HydrophobicContact CD1-CG2 3.57Å; L126-I162 HydrophobicContact CG-CG2 4.25Å; K127-I162 HydrophobicContact CD-CD1 3.9Å; K127-I162 HydrophobicContact CG-CD1 3.28Å; K127-I162 HydrophobicContact CG-CG1 4.28Å; D159-I162 WeakPolarHBondContact O-CB 3.45Å; D159-I162 PolarHBondContact O-N 3.33Å; E160-I162 PolarHBondContact O-N 2.99Å; I162-V164 HydrophobicContact CB-CG2 4.3Å; I162-V164 HydrophobicContact CG2-CG2 3.47Å; I162-V164 VanDerWaalsContact CG2-CG2 3.47Å; I162-V164 PolarHBondContact O-N 3.03Å; I162-V164 VanDerWaalsContact O-N 3.1Å
163D78.4Confident73.2Confident85 Ų8591.9 Ų91.946%0.45548%0.476SS..  trans-85.480.7174.8-169.60.2000110E165 N166 V167D163-E165 VanDerWaalsContact C-N 3.33Å; D163-N166 WeakPolarHBondContact OD1-CB 3.3Å; D163-N166 PolarHBondContact OD1-N 2.9Å; D163-N166 VanDerWaalsContact OD2-CB 3.32Å; D163-N166 WeakPolarHBondContact OD2-CB 3.49Å; D163-N166 VanDerWaalsContact OD2-CG 3.32Å; D163-N166 PolarHBondContact OD2-ND2 3.44Å; D163-V167 VanDerWaalsContact O-CG2 3.31Å; D163-V167 WeakPolarHBondContact O-CG2 3.28Å
164V77.1Confident71.8Confident21 Ų2192.8 Ų92.813%0.12747%0.474CS..  trans-75-26.5179.5-171.10000111.5R119 L122 R123 L126 I162R119-V164 HydrophobicContact CG-CG1 3.67Å; L122-V164 HydrophobicContact CD2-CG1 3.95Å; L122-V164 HydrophobicContact CG-CG1 4.22Å; R123-V164 HydrophobicContact CB-CG2 4.07Å; R123-V164 HydrophobicContact CG-CG2 4.21Å; L126-V164 HydrophobicContact CD1-CG2 4.32Å; I162-V164 HydrophobicContact CB-CG2 4.3Å; I162-V164 HydrophobicContact CG2-CG2 3.47Å; I162-V164 VanDerWaalsContact CG2-CG2 3.47Å; I162-V164 PolarHBondContact O-N 3.03Å; I162-V164 VanDerWaalsContact O-N 3.1Å
165E73.1Confident71.2Confident182 Ų18297.5 Ų97.585%0.8550%0.499SS*.THydrogen-bonded Turntrans-75.7-34.2-173-156.594.4-156.900112.3D163 V167D163-E165 VanDerWaalsContact C-N 3.33Å; E165-V167 VanDerWaalsContact C-N 3.34Å
166N70.8Confident70.6Confident126 Ų12696.3 Ų96.367%0.67449%0.488SS*.THydrogen-bonded Turntrans-87-0.1-179.4-74.4-12.5000114.4D163D163-N166 WeakPolarHBondContact OD1-CB 3.3Å; D163-N166 PolarHBondContact OD1-N 2.9Å; D163-N166 VanDerWaalsContact OD2-CB 3.32Å; D163-N166 WeakPolarHBondContact OD2-CB 3.49Å; D163-N166 VanDerWaalsContact OD2-CG 3.32Å; D163-N166 PolarHBondContact OD2-ND2 3.44Å
167V69.7Low70.3Confident35 Ų3596.9 Ų96.921%0.21250%0.496CS..SBendtrans-96.8117.9-177.9174.30000109.3L122 L126 D163 E165 V169 Y172L122-V167 HydrophobicContact CD1-CG1 3.93Å; L122-V167 HydrophobicContact CD2-CB 4.19Å; L122-V167 HydrophobicContact CD2-CG1 3.99Å; L122-V167 HydrophobicContact CG-CG1 4.47Å; L126-V167 HydrophobicContact CD1-CG2 4.31Å; D163-V167 VanDerWaalsContact O-CG2 3.31Å; D163-V167 WeakPolarHBondContact O-CG2 3.28Å; E165-V167 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.47Å; V167-Y172 HydrophobicContact CG1-CD2 3.51Å; V167-Y172 HydrophobicContact CG1-CE2 3.08Å
168E62.1Low70.3Confident132 Ų13298.7 Ų98.762%0.61751%0.506SS*.  trans-64.4120.3178.3-64-173.1-17500109.9D170 D171E168-D170 PolarHBondContact O-N 3.45Å; E168-D171 HydrophobicContact CB-CB 4.46Å; E168-D171 WeakPolarHBondContact O-CB 3.35Å; E168-D171 PolarHBondContact O-N 3.14Å
169V58.5Low70.4Confident76 Ų7699.8 Ų99.846%0.46151%0.511SS..THydrogen-bonded Turntrans-50.3-35.7176157.70000111.9H118 V167H118-V169 WeakPolarHBondContact CE1-CG1 3.38Å; H118-V169 WeakPolarHBondContact NE2-CB 3.33Å; H118-V169 WeakPolarHBondContact NE2-CG1 3Å; H118-V169 VanDerWaalsContact NE2-CG2 3.33Å; H118-V169 WeakPolarHBondContact NE2-CG2 3.35Å; V167-V169 PolarHBondContact O-N 3.47Å
170D56.2Low70.8Confident144 Ų14498 Ų9877%0.7750%0.504SS*.THydrogen-bonded Turntrans-74.8-22.6-179.7-77.4-31.1000113.6E168 Y172E168-D170 PolarHBondContact O-N 3.45Å; D170-Y172 VanDerWaalsContact C-N 3.3Å; D170-Y172 PolarHBondContact O-N 3.23Å
171D51.5Low71.3Confident109 Ų10997.5 Ų97.558%0.58350%0.499SS*.THydrogen-bonded Turntrans-74.8-23.4177.8-77.7-22.4000112.3E168 F173E168-D171 HydrophobicContact CB-CB 4.46Å; E168-D171 WeakPolarHBondContact O-CB 3.35Å; E168-D171 PolarHBondContact O-N 3.14Å; D171-F173 PolarHBondContact O-N 3.4Å
172Y56Low71.9Confident49 Ų4998.9 Ų98.919%0.19250%0.496CS..SBendtrans-86.892.6176.5-83.3-109.3000108.3L122 H125 L126 V167 D170 F174L122-Y172 HydrophobicContact CD1-CD1 3.26Å; L122-Y172 HydrophobicContact CD1-CD2 3.57Å; L122-Y172 HydrophobicContact CD1-CE1 3.25Å; L122-Y172 HydrophobicContact CD1-CE2 3.66Å; L122-Y172 HydrophobicContact CD1-CG 3.4Å; L122-Y172 VanDerWaalsContact CD1-CZ 3.46Å; H125-Y172 HydrophobicContact CB-CE1 4.24Å; H125-Y172 AromaticContact CE1-CE1 3.91Å; H125-Y172 AromaticContact CG-CE1 3.87Å; H125-Y172 AromaticContact ND1-CE1 3.36Å; H125-Y172 WeakPolarHBondContact ND1-CE1 3.45Å; L126-Y172 WeakPolarHBondContact CD2-OH 3.37Å; V167-Y172 HydrophobicContact CG1-CD2 3.51Å; V167-Y172 HydrophobicContact CG1-CE2 3.08Å; D170-Y172 VanDerWaalsContact C-N 3.3Å; D170-Y172 PolarHBondContact O-N 3.23Å; Y172-F174 VanDerWaalsContact C-N 3.31Å; Y172-F174 WeakPolarHBondContact O-CD2 3.23Å; Y172-F174 WeakPolarHBondContact O-CE2 3.27Å; Y172-F174 PolarHBondContact O-N 3.31Å
173F57.7Low72.4Confident160 Ų16099.3 Ų99.370%0.70250%0.497SS*.  trans-57.689.2174.3-80.2-101.7000111.1D171 L175 Q176D171-F173 PolarHBondContact O-N 3.4Å; F173-L175 PolarHBondContact O-N 3.01Å; F173-Q176 HydrophobicContact CB-CG 4.19Å; F173-Q176 WeakPolarHBondContact O-CG 3.39Å; F173-Q176 PolarHBondContact O-N 2.98Å; F173-Q176 VanDerWaalsContact O-N 3.11Å
174F57.7Low73Confident84 Ų84100 Ų10037%0.36849%0.493SS..THydrogen-bonded Turntrans-58.3-12-176.2-82.3-91.5000114.4H118 I121 Y172H118-F174 AromaticContact CD2-CZ 3.67Å; H118-F174 AromaticContact CE1-CD2 3.32Å; H118-F174 WeakPolarHBondContact CE1-CD2 2.95Å; H118-F174 AromaticContact CE1-CE1 3.68Å; H118-F174 AromaticContact CE1-CE2 2.73Å; H118-F174 WeakPolarHBondContact CE1-CE2 3.16Å; H118-F174 AromaticContact CE1-CZ 2.92Å; H118-F174 WeakPolarHBondContact CE1-CZ 3.23Å; H118-F174 AromaticContact CG-CE1 3.92Å; H118-F174 AromaticContact CG-CZ 3.67Å; H118-F174 AromaticContact ND1-CD1 3.96Å; H118-F174 AromaticContact ND1-CD2 3.75Å; H118-F174 AromaticContact ND1-CE1 3.44Å; H118-F174 WeakPolarHBondContact ND1-CE1 3.46Å; H118-F174 AromaticContact ND1-CE2 3.38Å; H118-F174 WeakPolarHBondContact ND1-CE2 3.32Å; H118-F174 AromaticContact ND1-CZ 3.18Å; H118-F174 WeakPolarHBondContact ND1-CZ 3.47Å; H118-F174 AromaticContact NE2-CE2 3.23Å; H118-F174 WeakPolarHBondContact NE2-CE2 2.92Å; H118-F174 AromaticContact NE2-CZ 3.16Å; H118-F174 WeakPolarHBondContact NE2-CZ 2.73Å; I121-F174 HydrophobicContact CB-CE1 4.02Å; I121-F174 HydrophobicContact CD1-CE1 4.42Å; I121-F174 HydrophobicContact CG2-CD1 4.24Å; I121-F174 HydrophobicContact CG2-CE1 3.67Å; Y172-F174 VanDerWaalsContact C-N 3.31Å; Y172-F174 WeakPolarHBondContact O-CD2 3.23Å; Y172-F174 WeakPolarHBondContact O-CE2 3.27Å; Y172-F174 PolarHBondContact O-N 3.31Å
175L69.3Low73.7Confident168 Ų168101.5 Ų101.588%0.8851%0.508SS*.THydrogen-bonded Turntrans-111.733-179.7-58.4178.3000113F173F173-L175 PolarHBondContact O-N 3.01Å
176Q74Confident74.6Confident127 Ų12794.7 Ų94.759%0.59348%0.477SS*.PPolyproline II helixtrans-57.5134.6172-82.3-17712.500111.6F173 L178F173-Q176 HydrophobicContact CB-CG 4.19Å; F173-Q176 WeakPolarHBondContact O-CG 3.39Å; F173-Q176 PolarHBondContact O-N 2.98Å; F173-Q176 VanDerWaalsContact O-N 3.11Å; Q176-L178 PolarHBondContact O-N 3.46Å
177P81.4Confident75.7Confident90 Ų9088.7 Ų88.758%0.58445%0.445SS*.PPolyproline II helixtrans-57.2123.7176.5-25.634.1000112.2P179P177-P179 WeakPolarHBondContact O-CD 3.14Å
178L83.6Confident76.9Confident51 Ų5193.2 Ų93.227%0.26746%0.458SS..PPolyproline II helixtrans-70.5124.8177.8-66174000111.4L93 Q176 R182 R183 L186L93-L178 HydrophobicContact CD1-CD1 3.73Å; Q176-L178 PolarHBondContact O-N 3.46Å; L178-R182 HydrophobicContact CD2-CG 4.28Å; L178-R183 HydrophobicContact CB-CG 3.93Å; L178-R183 PolarHBondContact O-NE 3.46Å; L178-R183 PolarHBondContact O-NH2 2.88Å; L178-L186 HydrophobicContact CD1-CD1 3.93Å
179P87.2Confident78.4Confident75 Ų7591.1 Ų91.149%0.48746%0.464SS..PPolyproline II helixtrans-62.9152.6175.5-23.734000112.5P177 K181 R182 R183P177-P179 WeakPolarHBondContact O-CD 3.14Å; P179-K181 PolarHBondContact O-N 3.13Å; P179-K181 VanDerWaalsContact O-N 3.1Å; P179-R182 PolarHBondContact O-N 3.2Å; P179-R183 PolarHBondContact O-N 3.39Å
180T87.9Confident80Confident48 Ų4889.5 Ų89.529%0.29446%0.455SS..Hα-helixtrans-53.9-35.8179.5-62.90000112.9R184T180-R184 WeakPolarHBondContact O-CG 3.36Å; T180-R184 PolarHBondContact O-N 2.86Å; T180-R184 VanDerWaalsContact O-N 3.13Å
181K89.3Confident81.8Confident168 Ų16884.6 Ų84.673%0.7344%0.439SS*.Hα-helixtrans-62.8-46.7175.8-171.2-179.1177.6-174.70111.4P179 R184 A185P179-K181 PolarHBondContact O-N 3.13Å; P179-K181 VanDerWaalsContact O-N 3.1Å; K181-R184 PolarHBondContact O-N 2.94Å; K181-A185 PolarHBondContact O-N 3.45Å; K181-A185 VanDerWaalsContact O-N 3.09Å
182R88.9Confident83.7Confident129 Ų12980.1 Ų80.149%0.48742%0.416SS..Hα-helixtrans-65.5-41.7178.6-166.3168.7-177.6-168.16.7111.5L178 P179 R184 A185 L186L178-R182 HydrophobicContact CD2-CG 4.28Å; P179-R182 PolarHBondContact O-N 3.2Å; R182-R184 PolarHBondContact O-N 3.47Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 2.59Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.47Å
183R90.2Very high85.3Confident26 Ų2684.7 Ų84.710%0.09844%0.438CS..Hα-helixtrans-56.5-48.7174-64.9-172.9-169.2120.55112.3G89 L93 L178 P179 A185 L186 L187G89-R183 PolarHBondContact O-NH1 3.37Å; L93-R183 HydrophobicContact CD1-CB 4.4Å; L93-R183 HydrophobicContact CD1-CG 4.05Å; L93-R183 HydrophobicContact CD2-CB 4.23Å; L93-R183 HydrophobicContact CG-CB 4.22Å; L93-R183 HydrophobicContact CG-CG 4.16Å; L178-R183 HydrophobicContact CB-CG 3.93Å; L178-R183 PolarHBondContact O-NE 3.46Å; L178-R183 PolarHBondContact O-NH2 2.88Å; P179-R183 PolarHBondContact O-N 3.39Å; R183-A185 VanDerWaalsContact C-N 3.32Å; R183-A185 PolarHBondContact O-N 3.24Å; R183-L186 PolarHBondContact O-N 3.42Å; R183-L187 WeakPolarHBondContact O-CG 3.42Å; R183-L187 PolarHBondContact O-N 3.19Å
184R90.9Very high86.9Confident99 Ų9988.1 Ų88.137%0.37445%0.447SS..Hα-helixtrans-63.7-36.8177.9-68.5-175.2-61.9-164.71.4112.8T180 K181 R182 L187 R188 I195T180-R184 WeakPolarHBondContact O-CG 3.36Å; T180-R184 PolarHBondContact O-N 2.86Å; T180-R184 VanDerWaalsContact O-N 3.13Å; K181-R184 PolarHBondContact O-N 2.94Å; R182-R184 PolarHBondContact O-N 3.47Å; R184-L187 PolarHBondContact O-N 2.68Å; R184-R188 VanDerWaalsContact O-CG 3.31Å; R184-R188 WeakPolarHBondContact O-CG 3.15Å; R184-R188 PolarHBondContact O-N 3.43Å; R184-I195 HydrophobicContact CB-CD1 3.85Å; R184-I195 HydrophobicContact CG-CD1 3.8Å
185A92.3Very high88.5Confident53 Ų5385.9 Ų85.944%0.43844%0.438SS..Hα-helixtrans-62.8-46.1175.300000111.2K181 R182 R183 L187 R188 A189K181-A185 PolarHBondContact O-N 3.45Å; K181-A185 VanDerWaalsContact O-N 3.09Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 2.59Å; R183-A185 VanDerWaalsContact C-N 3.32Å; R183-A185 PolarHBondContact O-N 3.24Å; A185-L187 PolarHBondContact O-N 3.09Å; A185-R188 PolarHBondContact O-N 3.39Å; A185-A189 WeakPolarHBondContact O-CB 3.11Å; A185-A189 PolarHBondContact O-N 3.13Å
186L92.1Very high89.6Confident39 Ų3980.7 Ų80.720%0.20441%0.411CS..Hα-helixtrans-60.4-41.8176.4-70.2169.5000112.7L93 L178 R182 R183 S190L93-L186 HydrophobicContact CD1-CD1 3.91Å; L93-L186 HydrophobicContact CD2-CB 4.41Å; L178-L186 HydrophobicContact CD1-CD1 3.93Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.47Å; R183-L186 PolarHBondContact O-N 3.42Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 2.96Å; L186-S190 VanDerWaalsContact O-N 3.11Å; L186-S190 PolarHBondContact O-OG 3.49Å
187L93.3Very high90.3Very high0 Ų077.8 Ų77.80%041%0.409CS..Hα-helixtrans-61.4-48.6175.7-73.8173.4000111.5R79 Q80 L93 R183 R184 A185 S190 G191 V192 I195R79-L187 VanDerWaalsContact C-CD2 3.4Å; R79-L187 VanDerWaalsContact O-CD2 3.32Å; R79-L187 WeakPolarHBondContact O-CD2 3.48Å; Q80-L187 HydrophobicContact CB-CD2 4.45Å; L93-L187 HydrophobicContact CD2-CD1 4.18Å; L93-L187 HydrophobicContact CD2-CD2 3.73Å; L93-L187 HydrophobicContact CD2-CG 3.57Å; R183-L187 WeakPolarHBondContact O-CG 3.42Å; R183-L187 PolarHBondContact O-N 3.19Å; R184-L187 PolarHBondContact O-N 2.68Å; A185-L187 PolarHBondContact O-N 3.09Å; L187-S190 CarbonylContact O-C 3.35Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 VanDerWaalsContact O-N 3.1Å; L187-G191 PolarHBondContact O-N 3.43Å; L187-V192 HydrophobicContact CB-CB 4.11Å; L187-V192 HydrophobicContact CD2-CG2 4.39Å; L187-V192 WeakPolarHBondContact O-CA 3.38Å; L187-V192 VanDerWaalsContact O-CB 3.28Å; L187-V192 WeakPolarHBondContact O-CB 3.41Å; L187-V192 PolarHBondContact O-N 3.45Å; L187-I195 HydrophobicContact CB-CD1 4.03Å; L187-I195 HydrophobicContact CB-CG1 4.4Å; L187-I195 HydrophobicContact CD1-CD1 3.98Å; L187-I195 HydrophobicContact CD1-CG1 4.29Å; L187-I195 HydrophobicContact CD1-CG2 4.42Å
188R94.3Very high90.8Very high130 Ų13079.3 Ų79.349%0.49141%0.408SS..Hα-helixtrans-64.2-42.3179.2-71.2171.5-176.6152.9-3.3112.5R184 A185 S190 G191 V192 I195R184-R188 VanDerWaalsContact O-CG 3.31Å; R184-R188 WeakPolarHBondContact O-CG 3.15Å; R184-R188 PolarHBondContact O-N 3.43Å; A185-R188 PolarHBondContact O-N 3.39Å; R188-S190 PolarHBondContact O-N 3.14Å; R188-G191 PolarHBondContact O-N 3.07Å; R188-V192 WeakPolarHBondContact CA-O 3.5Å; R188-I195 HydrophobicContact CG-CD1 4.39Å
189A93.6Very high91.1Very high89 Ų8977 Ų7774%0.73640%0.396SS*.Hα-helixtrans-61-26.6174.800000112.2A185 G191A185-A189 WeakPolarHBondContact O-CB 3.11Å; A185-A189 PolarHBondContact O-N 3.13Å; A189-G191 VanDerWaalsContact C-N 3.29Å; A189-G191 PolarHBondContact O-N 2.82Å
190S92.9Very high91.2Very high41 Ų4177.4 Ų77.429%0.28739%0.39SS..THydrogen-bonded Turntrans-90.213.9176.3-49.70000113.3R78 L186 L187 R188R78-S190 WeakPolarHBondContact CB-OG 3.45Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 2.96Å; L186-S190 VanDerWaalsContact O-N 3.11Å; L186-S190 PolarHBondContact O-OG 3.49Å; L187-S190 CarbonylContact O-C 3.35Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-S190 VanDerWaalsContact O-N 3.1Å; R188-S190 PolarHBondContact O-N 3.14Å
191G93.2Very high91.3Very high41 Ų4180.3 Ų80.342%0.42340%0.4SS..THydrogen-bonded Turntrans83.86.2178.500000115.2L187 R188 A189 H193L187-G191 PolarHBondContact O-N 3.43Å; R188-G191 PolarHBondContact O-N 3.07Å; A189-G191 VanDerWaalsContact C-N 3.29Å; A189-G191 PolarHBondContact O-N 2.82Å; G191-H193 VanDerWaalsContact C-N 3.34Å; G191-H193 PolarHBondContact O-CD2 3.21Å; G191-H193 PolarHBondContact O-N 3.18Å; G191-H193 VanDerWaalsContact O-N 3.11Å
192V92.8Very high91.4Very high16 Ų1678 Ų7810%0.09739%0.392CS..  trans-85.878.7173.9-171.80000109L187 R188 I195L187-V192 HydrophobicContact CB-CB 4.11Å; L187-V192 HydrophobicContact CD2-CG2 4.39Å; L187-V192 WeakPolarHBondContact O-CA 3.38Å; L187-V192 VanDerWaalsContact O-CB 3.28Å; L187-V192 WeakPolarHBondContact O-CB 3.41Å; L187-V192 PolarHBondContact O-N 3.45Å; R188-V192 WeakPolarHBondContact CA-O 3.5Å; V192-I195 HydrophobicContact CG1-CG1 4.24Å
193H88.6Confident91.5Very high144 Ų14472.2 Ų72.267%0.66737%0.371SS*.  trans-73.4-34.9-178.3-58.6-64.2000112.7G191G191-H193 VanDerWaalsContact C-N 3.34Å; G191-H193 PolarHBondContact O-CD2 3.21Å; G191-H193 PolarHBondContact O-N 3.18Å; G191-H193 VanDerWaalsContact O-N 3.11Å
194R91.1Very high91.6Very high233 Ų23375.2 Ų75.288%0.87938%0.382SS*.SBendtrans-104.797.7177.6-63.2-175.269.1-169.1-0.6109.1
195I91.8Very high91.6Very high36 Ų3672.9 Ų72.919%0.18539%0.385CS..  trans-85.1123.6175.3-59175.7000107.4S91 R184 L187 R188 V192 A197S91-I195 WeakPolarHBondContact OG-CG2 3.28Å; R184-I195 HydrophobicContact CB-CD1 3.85Å; R184-I195 HydrophobicContact CG-CD1 3.8Å; L187-I195 HydrophobicContact CB-CD1 4.03Å; L187-I195 HydrophobicContact CB-CG1 4.4Å; L187-I195 HydrophobicContact CD1-CD1 3.98Å; L187-I195 HydrophobicContact CD1-CG1 4.29Å; L187-I195 HydrophobicContact CD1-CG2 4.42Å; R188-I195 HydrophobicContact CG-CD1 4.39Å; V192-I195 HydrophobicContact CG1-CG1 4.24Å; I195-A197 PolarHBondContact O-N 2.87Å
196D91.4Very high91.6Very high60 Ų6073.7 Ų73.732%0.32138%0.381SS..  trans-62.8127.9176.9-176.5-52.3000109.8Q80 E198 E199Q80-D196 PolarHBondContact NE2-O 3.29Å; D196-E198 WeakPolarHBondContact OD1-CA 3.47Å; D196-E198 VanDerWaalsContact OD1-CB 3.23Å; D196-E198 WeakPolarHBondContact OD1-CB 3.44Å; D196-E198 PolarHBondContact OD1-N 3.44Å; D196-E199 PolarHBondContact OD1-N 2.9Å
197A89.1Confident91.6Very high66 Ų6674.8 Ų74.855%0.54538%0.382SS..SBendtrans-94.4-21.1-176.200000112I195 K200I195-A197 PolarHBondContact O-N 2.87Å; A197-K200 WeakPolarHBondContact O-CB 3.36Å; A197-K200 PolarHBondContact O-N 3.19Å
198E91.3Very high91.4Very high121 Ų12180 Ų8057%0.56541%0.409SS*.Hα-helixtrans-64.9-41.9176.4-62.766.6-158.600109.8D196 K200 Q201 E202D196-E198 WeakPolarHBondContact OD1-CA 3.47Å; D196-E198 VanDerWaalsContact OD1-CB 3.23Å; D196-E198 WeakPolarHBondContact OD1-CB 3.44Å; D196-E198 PolarHBondContact OD1-N 3.44Å; E198-K200 PolarHBondContact O-N 3.49Å; E198-Q201 WeakPolarHBondContact O-CA 3.22Å; E198-Q201 WeakPolarHBondContact O-CB 3.44Å; E198-Q201 PolarHBondContact O-N 3.11Å; E198-E202 PolarHBondContact O-N 2.87Å
199E90.5Very high91.2Very high2 Ų277.5 Ų77.51%0.00941%0.412CS..Hα-helixtrans-51-45.6174.1-171.3-146176.700111.1Q80 G81 F82 S91 S92 D196 Q201 E202 L203Q80-E199 WeakPolarHBondContact CG-OE2 3.49Å; Q80-E199 PolarHBondContact NE2-OE2 2.97Å; G81-E199 VanDerWaalsContact O-CD 3.28Å; F82-E199 HydrophobicContact CD1-CB 4.38Å; F82-E199 HydrophobicContact CD1-CG 3.89Å; F82-E199 HydrophobicContact CE1-CB 3.97Å; F82-E199 HydrophobicContact CE1-CG 3.91Å; S91-E199 WeakPolarHBondContact CA-OE2 3.42Å; S92-E199 VanDerWaalsContact CB-OE1 3.27Å; S92-E199 WeakPolarHBondContact CB-OE1 3.43Å; S92-E199 PolarHBondContact N-OE1 2.93Å; S92-E199 PolarHBondContact N-OE2 3.15Å; S92-E199 PolarHBondContact OG-OE1 3.43Å; D196-E199 PolarHBondContact OD1-N 2.9Å; E199-Q201 PolarHBondContact O-N 3.23Å; E199-E202 PolarHBondContact O-N 3.21Å; E199-L203 HydrophobicContact CG-CD1 3.88Å; E199-L203 HydrophobicContact CG-CG 4.23Å; E199-L203 WeakPolarHBondContact O-CB 3.41Å; E199-L203 WeakPolarHBondContact O-CG 3.24Å; E199-L203 PolarHBondContact O-N 2.98Å; E199-L203 WeakPolarHBondContact OE1-CD1 3.39Å
200K89.2Confident91Very high85 Ų8580.3 Ų80.337%0.3740%0.404SS..Hα-helixtrans-60.7-35.2179.3-175.9-169.5177.1-169.30111.6A197 E198 R204A197-K200 WeakPolarHBondContact O-CB 3.36Å; A197-K200 PolarHBondContact O-N 3.19Å; E198-K200 PolarHBondContact O-N 3.49Å; K200-R204 VanDerWaalsContact CE-NH1 3.25Å; K200-R204 WeakPolarHBondContact O-CG 3.42Å; K200-R204 PolarHBondContact O-N 3.11Å
201Q90.2Very high90.7Very high108 Ų10883.7 Ų83.751%0.50542%0.415SS..Hα-helixtrans-73.8-44.2178-177.66113.900111.4E198 E199 L203 R204 A205E198-Q201 WeakPolarHBondContact O-CA 3.22Å; E198-Q201 WeakPolarHBondContact O-CB 3.44Å; E198-Q201 PolarHBondContact O-N 3.11Å; E199-Q201 PolarHBondContact O-N 3.23Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.4Å; Q201-R204 WeakPolarHBondContact O-CB 3.1Å; Q201-R204 PolarHBondContact O-N 2.94Å; Q201-R204 VanDerWaalsContact O-N 3.14Å; Q201-A205 PolarHBondContact O-N 3.33Å
202E91.6Very high90.4Very high119 Ų11989.9 Ų89.956%0.55643%0.433SS*.Hα-helixtrans-59.6-45175.5-66.7175.6179.600111.2E198 E199 R204 A205 I206E198-E202 PolarHBondContact O-N 2.87Å; E199-E202 PolarHBondContact O-N 3.21Å; E202-R204 VanDerWaalsContact C-N 3.28Å; E202-R204 PolarHBondContact O-N 3.49Å; E202-A205 WeakPolarHBondContact O-CB 3.32Å; E202-A205 PolarHBondContact O-N 3.31Å; E202-A205 VanDerWaalsContact O-N 3.09Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 2.68Å
203L91.8Very high90.1Very high9 Ų992.3 Ų92.35%0.04745%0.449CS..Hα-helixtrans-66.6-26.4176.6-67.6178.3000113.5S84 V85 P86 E199 Q201 I206 R207S84-L203 WeakPolarHBondContact O-CD2 3.27Å; V85-L203 HydrophobicContact CB-CD2 4.18Å; V85-L203 HydrophobicContact CG1-CD2 4.19Å; V85-L203 HydrophobicContact CG2-CD2 3.85Å; P86-L203 HydrophobicContact CG-CD1 4.45Å; E199-L203 HydrophobicContact CG-CD1 3.88Å; E199-L203 HydrophobicContact CG-CG 4.23Å; E199-L203 WeakPolarHBondContact O-CB 3.41Å; E199-L203 WeakPolarHBondContact O-CG 3.24Å; E199-L203 PolarHBondContact O-N 2.98Å; E199-L203 WeakPolarHBondContact OE1-CD1 3.39Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.4Å; L203-I206 HydrophobicContact CD2-CD1 4.38Å; L203-R207 WeakPolarHBondContact O-CG 3.4Å; L203-R207 PolarHBondContact O-N 2.99Å; L203-R207 PolarHBondContact O-NE 3.24Å; L203-R207 VanDerWaalsContact O-NE 3.08Å
204R91Very high90.3Very high88 Ų8887.9 Ų87.933%0.33244%0.443SS..Hα-helixtrans-70-46.9168.5-82.8-176-65.9-129.2-4110.5K200 Q201 E202 I206 R207 L208K200-R204 VanDerWaalsContact CE-NH1 3.25Å; K200-R204 WeakPolarHBondContact O-CG 3.42Å; K200-R204 PolarHBondContact O-N 3.11Å; Q201-R204 WeakPolarHBondContact O-CB 3.1Å; Q201-R204 PolarHBondContact O-N 2.94Å; Q201-R204 VanDerWaalsContact O-N 3.14Å; E202-R204 VanDerWaalsContact C-N 3.28Å; E202-R204 PolarHBondContact O-N 3.49Å; R204-I206 VanDerWaalsContact C-N 3.33Å; R204-I206 PolarHBondContact O-N 3.39Å; R204-R207 PolarHBondContact O-N 3.09Å; R204-L208 WeakPolarHBondContact O-CG 3.33Å; R204-L208 PolarHBondContact O-N 3.07Å
205A91.8Very high90.4Very high51 Ų5177.3 Ų77.342%0.42141%0.405SS..Hα-helixtrans-59.6-43.3178.600000111.8Q201 E202 R207 L208 S209Q201-A205 PolarHBondContact O-N 3.33Å; E202-A205 WeakPolarHBondContact O-CB 3.32Å; E202-A205 PolarHBondContact O-N 3.31Å; E202-A205 VanDerWaalsContact O-N 3.09Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 3.25Å; A205-L208 PolarHBondContact O-N 3.24Å; A205-S209 WeakPolarHBondContact O-CB 3.4Å; A205-S209 PolarHBondContact O-N 3.07Å
206I91.9Very high90.6Very high69 Ų6983.4 Ų83.435%0.35444%0.437SS..Hα-helixtrans-62.6-40.3176.9-65.1165.1000111.6V85 E202 L203 R204 S209 R210V85-I206 HydrophobicContact CG1-CG2 4.18Å; V85-I206 HydrophobicContact CG2-CD1 4.28Å; V85-I206 HydrophobicContact CG2-CG2 3.87Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 2.68Å; L203-I206 HydrophobicContact CD2-CD1 4.38Å; R204-I206 VanDerWaalsContact C-N 3.33Å; R204-I206 PolarHBondContact O-N 3.39Å; I206-S209 PolarHBondContact O-N 3.12Å; I206-R210 HydrophobicContact CG2-CG 4.47Å; I206-R210 WeakPolarHBondContact O-CB 3.39Å; I206-R210 VanDerWaalsContact O-CG 3.29Å; I206-R210 WeakPolarHBondContact O-CG 3.17Å; I206-R210 PolarHBondContact O-N 3.49Å
207R91.1Very high90.7Very high62 Ų6281.4 Ų81.423%0.23443%0.428CS..Hα-helixtrans-64.8-45.7177.4-77.6-178.7-71150.82112V85 P86 S87 G89 L203 R204 A205 R210 E211V85-R207 HydrophobicContact CG1-CG 3.73Å; P86-R207 WeakPolarHBondContact O-CD 3.14Å; S87-R207 PolarHBondContact O-NH1 3.07Å; G89-R207 VanDerWaalsContact CA-CZ 3.47Å; L203-R207 WeakPolarHBondContact O-CG 3.4Å; L203-R207 PolarHBondContact O-N 2.99Å; L203-R207 PolarHBondContact O-NE 3.24Å; L203-R207 VanDerWaalsContact O-NE 3.08Å; R204-R207 PolarHBondContact O-N 3.09Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 3.25Å; R207-R210 PolarHBondContact O-N 2.97Å; R207-E211 PolarHBondContact O-N 2.87Å; R207-E211 VanDerWaalsContact O-N 3.11Å
208L90.4Very high91Very high110 Ų11088.5 Ų88.558%0.57644%0.441SS*.Hα-helixtrans-61.4-44.8175.7-67.8172000111.3R204 A205 R210 E211 E212R204-L208 WeakPolarHBondContact O-CG 3.33Å; R204-L208 PolarHBondContact O-N 3.07Å; A205-L208 PolarHBondContact O-N 3.24Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 2.9Å; L208-E211 WeakPolarHBondContact O-CA 3.48Å; L208-E211 WeakPolarHBondContact O-CB 3.36Å; L208-E211 PolarHBondContact O-N 3.1Å; L208-E212 PolarHBondContact O-N 3.45Å
209S90.3Very high91.1Very high78 Ų7889 Ų8955%0.54545%0.447SS..Hα-helixtrans-61.3-33.6175.8171.20000112.8A205 I206 E211 E212A205-S209 WeakPolarHBondContact O-CB 3.4Å; A205-S209 PolarHBondContact O-N 3.07Å; I206-S209 PolarHBondContact O-N 3.12Å; S209-E211 VanDerWaalsContact C-N 3.31Å; S209-E212 CarbonylContact O-C 3.5Å; S209-E212 PolarHBondContact O-N 3.13Å
210R89.5Confident91.4Very high148 Ų14896 Ų9656%0.55847%0.474SS*.Hα-helixtrans-72.5-24.3174.4-75174.9178.7-173.4-0.5113I206 R207 L208 E212 C213 F242I206-R210 HydrophobicContact CG2-CG 4.47Å; I206-R210 WeakPolarHBondContact O-CB 3.39Å; I206-R210 VanDerWaalsContact O-CG 3.29Å; I206-R210 WeakPolarHBondContact O-CG 3.17Å; I206-R210 PolarHBondContact O-N 3.49Å; R207-R210 PolarHBondContact O-N 2.97Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 2.9Å; R210-E212 VanDerWaalsContact C-N 3.32Å; R210-C213 PolarHBondContact O-SG 2.86Å; R210-F242 VanDerWaalsContact O-CZ 3.32Å; R210-F242 WeakPolarHBondContact O-CZ 3.42Å
211E86.8Confident91.8Very high112 Ų11291.9 Ų91.952%0.52346%0.456SS..Hα-helixtrans-78.2-22.9171.7-68.4169.8-167.400111.7R207 L208 S209 C213 F242R207-E211 PolarHBondContact O-N 2.87Å; R207-E211 VanDerWaalsContact O-N 3.11Å; L208-E211 WeakPolarHBondContact O-CA 3.48Å; L208-E211 WeakPolarHBondContact O-CB 3.36Å; L208-E211 PolarHBondContact O-N 3.1Å; S209-E211 VanDerWaalsContact C-N 3.31Å; E211-C213 PolarHBondContact O-N 2.95Å; E211-F242 WeakPolarHBondContact O-CE2 3.43Å
212E85.5Confident92.1Very high171 Ų17190 Ų9080%0.79945%0.449SS*.SBendtrans-96.961.3174.1-165174.6-159.600110.4L208 S209 R210L208-E212 PolarHBondContact O-N 3.45Å; S209-E212 CarbonylContact O-C 3.5Å; S209-E212 PolarHBondContact O-N 3.13Å; R210-E212 VanDerWaalsContact C-N 3.32Å
213C87.7Confident92.3Very high66 Ų6686.6 Ų86.645%0.44644%0.438SS..  trans-139154.8173.875.90000111.9R210 E211 F242R210-C213 PolarHBondContact O-SG 2.86Å; E211-C213 PolarHBondContact O-N 2.95Å; C213-F242 WeakPolarHBondContact O-CE2 3.39Å
214G91.6Very high92.5Very high51 Ų5194.1 Ų94.153%0.52647%0.472SS..SBendtrans110.3-151.4177.300000114P243G214-P243 CarbonylContact C-O 3.59Å; G214-P243 VanDerWaalsContact CA-O 3.25Å; G214-P243 WeakPolarHBondContact CA-O 3.39Å
215C94.5Very high92.8Very high12 Ų1293.2 Ų93.28%0.08148%0.484CS..  trans-108.5153-172.389.70000110C217 P243 C244C215-C217 PolarHBondContact O-N 3.35Å; C215-C217 WeakPolarHBondContact SG-CB 3.47Å; C215-C217 PolarHBondContact SG-N 2.87Å; C215-C217 VanDerWaalsContact SG-N 3.37Å; C215-C217 PolarHBondContact SG-SG 3.09Å; C215-P243 PolarHBondContact N-O 3.36Å; C215-C244 HydrophobicContact CB-CB 4.13Å; C215-C244 WeakPolarHBondContact CB-SG 3.2Å; C215-C244 WeakPolarHBondContact SG-CA 3.34Å; C215-C244 WeakPolarHBondContact SG-CB 3.36Å; C215-C244 CovalentContact SG-SG 2.06Å; C215-C244 PolarHBondContact SG-SG 3.19Å
216D94.6Very high93Very high163 Ų16390.9 Ų90.987%0.87246%0.464SS*.  trans-84.411.8176.6-65.1-47.4000114.3R218D216-R218 PolarHBondContact O-N 3.33Å
217C95.3Very high93.2Very high18 Ų1890.1 Ų90.112%0.12247%0.469CS..  trans-62.1137.8-179-62.30000111.4C215 Y220 C221 C226 G245 C246C215-C217 PolarHBondContact O-N 3.35Å; C215-C217 WeakPolarHBondContact SG-CB 3.47Å; C215-C217 PolarHBondContact SG-N 2.87Å; C215-C217 VanDerWaalsContact SG-N 3.37Å; C215-C217 PolarHBondContact SG-SG 3.09Å; C217-Y220 WeakPolarHBondContact CB-O 3.45Å; C217-C221 HydrophobicContact CB-CB 4.47Å; C217-C226 PolarHBondContact SG-SG 3.46Å; C217-G245 CarbonylContact O-C 3.55Å; C217-G245 VanDerWaalsContact O-C 3.23Å; C217-G245 WeakPolarHBondContact O-CA 3.35Å; C217-G245 PolarHBondContact O-N 3.46Å; C217-C246 HydrophobicContact CB-CB 4.14Å
218R94.4Very high93.5Very high216 Ų21687.8 Ų87.882%0.81546%0.462SS*.EExtended strand (participates in β ladder)trans-131.2109.6177.5-62.2-177.5-175.6-165.3-0.3109.2D216 Y220D216-R218 PolarHBondContact O-N 3.33Å; R218-Y220 PolarHBondContact O-N 2.87Å
219L93.6Very high93.8Very high132 Ų13283.5 Ų83.569%0.69144%0.441SS*.EExtended strand (participates in β ladder)trans62.4-40.9-174.5-57.3169.2000114.1G245 S247L219-G245 PolarHBondContact N-O 3.47Å; L219-S247 PolarHBondContact O-N 2.96Å; L219-S247 PolarHBondContact O-OG 3.29Å
220Y96.5Very high94.1Very high147 Ų14786.1 Ų86.158%0.57644%0.444SS*.EExtended strand (participates in β ladder)trans-114.8140.9178.9-175.4-103.2000111.8C217 R218 D222 G250C217-Y220 WeakPolarHBondContact CB-O 3.45Å; R218-Y220 PolarHBondContact O-N 2.87Å; Y220-D222 HydrophobicContact CD1-CB 4.49Å; Y220-D222 HydrophobicContact CE1-CB 4Å; Y220-G250 CarbonylContact C-O 3.54Å; Y220-G250 WeakPolarHBondContact CA-O 3.43Å; Y220-G250 VanDerWaalsContact CD2-O 3.27Å; Y220-G250 WeakPolarHBondContact CD2-O 3.32Å
221C97.5Very high94.4Very high0 Ų082.2 Ų82.20%044%0.444CS..EExtended strand (participates in β ladder)trans-114.4113.4173.3179.90000109.4C217 C226 C246 G250 C251 G252C217-C221 HydrophobicContact CB-CB 4.47Å; C221-C226 WeakPolarHBondContact SG-CB 3.4Å; C221-C226 PolarHBondContact SG-SG 3.4Å; C221-C246 HydrophobicContact CB-CB 3.57Å; C221-G250 PolarHBondContact N-O 3.25Å; C221-C251 HydrophobicContact CB-CB 4.47Å; C221-G252 VanDerWaalsContact O-CA 3.25Å; C221-G252 WeakPolarHBondContact O-CA 3.33Å; C221-G252 PolarHBondContact O-N 3.24Å
222D96.9Very high94.9Very high68 Ų6879.6 Ų79.636%0.36445%0.447SS..  trans-85.5123.2170.2-178.2-9.5000109.4Y220 E224 A225 C226Y220-D222 HydrophobicContact CD1-CB 4.49Å; Y220-D222 HydrophobicContact CE1-CB 4Å; D222-E224 PolarHBondContact O-N 2.83Å; D222-E224 PolarHBondContact OD1-N 3.1Å; D222-A225 HydrophobicContact CB-CB 4.06Å; D222-A225 PolarHBondContact O-N 3.12Å; D222-C226 WeakPolarHBondContact O-CB 3.47Å; D222-C226 PolarHBondContact O-N 3.34Å
223P96.3Very high95.4Very high47 Ų4776.1 Ų76.131%0.30543%0.433SS..THydrogen-bonded Turntrans-55.7-33.2178.4-24.233.6000114.3S229 G252P223-S229 WeakPolarHBondContact O-CB 3.47Å; P223-G252 WeakPolarHBondContact CG-O 3.33Å
224E95.7Very high95.8Very high167 Ų16776.8 Ų76.878%0.7843%0.428SS*.THydrogen-bonded Turntrans-84.6-23.7-176.5-65.8-170.2175.100112.5D222 Q230D222-E224 PolarHBondContact O-N 2.83Å; D222-E224 PolarHBondContact OD1-N 3.1Å; E224-Q230 PolarHBondContact O-NE2 2.84Å
225A96.3Very high96.1Very high69 Ų6974.4 Ų74.457%0.5740%0.403SS*.THydrogen-bonded Turntrans-103.9-24.3-178.800000113.9D222 A227D222-A225 HydrophobicContact CB-CB 4.06Å; D222-A225 PolarHBondContact O-N 3.12Å; A225-A227 PolarHBondContact O-N 3.07Å
226C96.7Very high96.2Very high2 Ų277 Ų771%0.01441%0.414CS..  trans-73.8120.9-177.6-179.40000111.7C217 C221 D222 C228 S229 Q230C217-C226 PolarHBondContact SG-SG 3.46Å; C221-C226 WeakPolarHBondContact SG-CB 3.4Å; C221-C226 PolarHBondContact SG-SG 3.4Å; D222-C226 WeakPolarHBondContact O-CB 3.47Å; D222-C226 PolarHBondContact O-N 3.34Å; C226-C228 VanDerWaalsContact C-N 3.27Å; C226-C228 PolarHBondContact O-N 3.12Å; C226-C228 PolarHBondContact SG-N 3.35Å; C226-C228 VanDerWaalsContact SG-N 3.44Å; C226-S229 PolarHBondContact O-N 2.84Å; C226-Q230 WeakPolarHBondContact O-CG 3.48Å; C226-Q230 PolarHBondContact O-N 3.34Å
227A96.3Very high96.2Very high54 Ų5469.5 Ų69.545%0.44637%0.374SS..Hα-helixtrans-54.8-38.217500000113.5A225 S229 A231A225-A227 PolarHBondContact O-N 3.07Å; A227-S229 PolarHBondContact O-N 3.36Å; A227-A231 WeakPolarHBondContact O-CB 3.42Å; A227-A231 PolarHBondContact O-N 2.86Å
228C96.6Very high96Very high13 Ų1372.2 Ų72.29%0.08839%0.388CS..Hα-helixtrans-62.7-42.8175.9-60.70000111.8C226 A231 G232 I233C226-C228 VanDerWaalsContact C-N 3.27Å; C226-C228 PolarHBondContact O-N 3.12Å; C226-C228 PolarHBondContact SG-N 3.35Å; C226-C228 VanDerWaalsContact SG-N 3.44Å; C228-A231 PolarHBondContact O-N 3.29Å; C228-G232 PolarHBondContact O-N 3.35Å; C228-I233 CarbonylContact C-O 3.53Å; C228-I233 HydrophobicContact CB-CG1 4.06Å; C228-I233 WeakPolarHBondContact O-CG1 3.43Å; C228-I233 PolarHBondContact O-N 3.42Å
229S96.6Very high95.8Very high20 Ų2068.5 Ų68.514%0.1437%0.374CS..Hα-helixtrans-71.9-43.7-177.4-158.70000111.6P223 C226 A227 A231 G232 N253P223-S229 WeakPolarHBondContact O-CB 3.47Å; C226-S229 PolarHBondContact O-N 2.84Å; A227-S229 PolarHBondContact O-N 3.36Å; S229-A231 PolarHBondContact O-N 3.45Å; S229-G232 PolarHBondContact O-N 3.45Å; S229-N253 WeakPolarHBondContact CA-OD1 3.26Å; S229-N253 WeakPolarHBondContact CB-OD1 3.38Å; S229-N253 PolarHBondContact OG-OD1 2.78Å
230Q97Very high95.4Very high132 Ų13270.5 Ų70.562%0.61738%0.382SS*.Hα-helixtrans-59.4-35.9173.5-67.917721.800112.2E224 C226 G232E224-Q230 PolarHBondContact O-NE2 2.84Å; C226-Q230 WeakPolarHBondContact O-CG 3.48Å; C226-Q230 PolarHBondContact O-N 3.34Å; Q230-G232 PolarHBondContact O-N 3.31Å
231A96.4Very high95Very high67 Ų6767 Ų6755%0.55438%0.379SS*.THydrogen-bonded Turntrans-79-2.4175.300000113.9A227 C228 S229 I233A227-A231 WeakPolarHBondContact O-CB 3.42Å; A227-A231 PolarHBondContact O-N 2.86Å; C228-A231 PolarHBondContact O-N 3.29Å; S229-A231 PolarHBondContact O-N 3.45Å; A231-I233 HydrophobicContact CB-CG1 4.19Å; A231-I233 PolarHBondContact O-N 3.49Å
232G96.1Very high94.8Very high57 Ų5768.7 Ų68.759%0.58839%0.386SS*.THydrogen-bonded Turntrans67.520.5-179.900000114.4C228 S229 Q230C228-G232 PolarHBondContact O-N 3.35Å; S229-G232 PolarHBondContact O-N 3.45Å; Q230-G232 PolarHBondContact O-N 3.31Å
233I96.4Very high94.6Very high97 Ų9766.6 Ų66.650%0.49738%0.377SS..  trans-106.6155.4178.763.6171.4000111.1C228 A231 N253C228-I233 CarbonylContact C-O 3.53Å; C228-I233 HydrophobicContact CB-CG1 4.06Å; C228-I233 WeakPolarHBondContact O-CG1 3.43Å; C228-I233 PolarHBondContact O-N 3.42Å; A231-I233 HydrophobicContact CB-CG1 4.19Å; A231-I233 PolarHBondContact O-N 3.49Å; I233-N253 PolarHBondContact O-ND2 3.15Å
234K97.5Very high94.6Very high81 Ų8164.4 Ų64.435%0.35236%0.362SS..  trans-63.8141.7175.5-72.1173.5-172.5176.90110.5Q236 A255 G256 I258K234-Q236 PolarHBondContact O-N 3.31Å; K234-Q236 VanDerWaalsContact O-N 3.14Å; K234-A255 VanDerWaalsContact CE-O 3.22Å; K234-A255 WeakPolarHBondContact CE-O 3.46Å; K234-A255 HydrophobicContact CG-CB 4.48Å; K234-A255 WeakPolarHBondContact CG-O 3.32Å; K234-G256 CarbonylContact C-O 3.56Å; K234-G256 VanDerWaalsContact CA-O 3.24Å; K234-G256 WeakPolarHBondContact CA-O 3.46Å; K234-I258 HydrophobicContact CB-CD1 4.04Å; K234-I258 HydrophobicContact CB-CG1 4.07Å; K234-I258 HydrophobicContact CD-CD1 4.37Å; K234-I258 HydrophobicContact CD-CG2 4.03Å
235C97.2Very high94.5Very high0 Ų056.8 Ų56.80%033%0.328CS..EExtended strand (participates in β ladder)trans-66111.6166.8-72.80000108.7C244 N253 G256 R257 I258C235-C244 HydrophobicContact CB-CB 4.23Å; C235-N253 PolarHBondContact N-ND2 3.19Å; C235-N253 PolarHBondContact SG-ND2 3.3Å; C235-G256 PolarHBondContact N-O 3.09Å; C235-R257 HydrophobicContact CB-CB 4.4Å; C235-R257 HydrophobicContact CB-CG 4.24Å; C235-R257 WeakPolarHBondContact O-CA 3.34Å; C235-I258 PolarHBondContact O-N 2.91Å
236Q95.6Very high94.5Very high66 Ų6653.6 Ų53.631%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-89.4127.7173.6-178.27436.900109.6K234 D238 P243 C244 I258K234-Q236 PolarHBondContact O-N 3.31Å; K234-Q236 VanDerWaalsContact O-N 3.14Å; Q236-D238 VanDerWaalsContact CG-OD1 3.29Å; Q236-D238 WeakPolarHBondContact CG-OD1 3.46Å; Q236-D238 PolarHBondContact NE2-OD1 3.43Å; Q236-P243 WeakPolarHBondContact O-CD 3.43Å; Q236-C244 PolarHBondContact O-N 3.08Å; Q236-I258 HydrophobicContact CB-CG1 4.41Å
237V94.6Very high94.4Very high6 Ų655.5 Ų55.54%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-122.299.2174.3-169.90000108.3R239 C244 R257 I258 E259 F260V237-R239 WeakPolarHBondContact CG1-O 3.41Å; V237-C244 VanDerWaalsContact CG2-O 3.27Å; V237-C244 WeakPolarHBondContact CG2-O 3.43Å; V237-R257 HydrophobicContact CG2-CG 4.32Å; V237-I258 PolarHBondContact N-O 3.4Å; V237-E259 HydrophobicContact CB-CB 4.49Å; V237-E259 HydrophobicContact CB-CG 4.4Å; V237-E259 CarbonylContact O-C 3.23Å; V237-E259 WeakPolarHBondContact O-CA 3.24Å; V237-F260 PolarHBondContact O-N 2.96Å
238D92.6Very high94.3Very high75 Ų7562.2 Ų62.240%0.40133%0.329SS..EExtended strand (participates in β ladder)trans-86.3-37.8-180-71.5-14.4000112Q236 F242 F260Q236-D238 VanDerWaalsContact CG-OD1 3.29Å; Q236-D238 WeakPolarHBondContact CG-OD1 3.46Å; Q236-D238 PolarHBondContact NE2-OD1 3.43Å; D238-F242 PolarHBondContact N-O 3.06Å; D238-F260 WeakPolarHBondContact O-CB 3.33Å
239R88.7Confident94.2Very high139 Ų13969 Ų6953%0.52536%0.364SS..EExtended strand (participates in β ladder)trans-142.9169.9175.262.8-170176.1-153.9-0.8108.5V237 S241 F242V237-R239 WeakPolarHBondContact CG1-O 3.41Å; R239-S241 PolarHBondContact O-N 3.18Å; R239-F242 HydrophobicContact CG-CB 3.8Å; R239-F242 HydrophobicContact CG-CD1 4.01Å; R239-F242 HydrophobicContact CG-CG 4.33Å; R239-F242 PolarHBondContact N-O 2.94Å; R239-F242 VanDerWaalsContact N-O 3.08Å; R239-F242 PolarHBondContact O-N 3.49Å
240M86.2Confident94.1Very high173 Ų17368.7 Ų68.785%0.85237%0.365SS*.THydrogen-bonded Turntrans-49.3121.7179.7-172.260.571.200110.4F242M240-F242 VanDerWaalsContact C-N 3.32Å; M240-F242 PolarHBondContact O-N 3.03Å
241S88.1Confident94.1Very high75 Ų7563.8 Ų63.852%0.52435%0.345SS..THydrogen-bonded Turntrans64.419.4178.9-54.10000117.6R239R239-S241 PolarHBondContact O-N 3.18Å
242F92.4Very high94.1Very high35 Ų3561.9 Ų61.915%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-154.4140.4-178.5177.4-88.9000113.2R210 E211 C213 D238 R239 M240 C244R210-F242 VanDerWaalsContact O-CZ 3.32Å; R210-F242 WeakPolarHBondContact O-CZ 3.42Å; E211-F242 WeakPolarHBondContact O-CE2 3.43Å; C213-F242 WeakPolarHBondContact O-CE2 3.39Å; D238-F242 PolarHBondContact N-O 3.06Å; R239-F242 HydrophobicContact CG-CB 3.8Å; R239-F242 HydrophobicContact CG-CD1 4.01Å; R239-F242 HydrophobicContact CG-CG 4.33Å; R239-F242 PolarHBondContact N-O 2.94Å; R239-F242 VanDerWaalsContact N-O 3.08Å; R239-F242 PolarHBondContact O-N 3.49Å; M240-F242 VanDerWaalsContact C-N 3.32Å; M240-F242 PolarHBondContact O-N 3.03Å; F242-C244 VanDerWaalsContact C-N 3.3Å
243P93.8Very high94.1Very high24 Ų2459.6 Ų59.616%0.15631%0.306CS..EExtended strand (participates in β ladder)cis-67.6-18.3-8.6-24.435.1000114.9G214 C215 Q236G214-P243 CarbonylContact C-O 3.59Å; G214-P243 VanDerWaalsContact CA-O 3.25Å; G214-P243 WeakPolarHBondContact CA-O 3.39Å; C215-P243 PolarHBondContact N-O 3.36Å; Q236-P243 WeakPolarHBondContact O-CD 3.43Å
244C95.4Very high94.1Very high0 Ų063.4 Ų63.40%032%0.324CS..  trans-123.3134.9174.4-159.50000110.3C215 C235 Q236 V237 F242C215-C244 HydrophobicContact CB-CB 4.13Å; C215-C244 WeakPolarHBondContact CB-SG 3.2Å; C215-C244 WeakPolarHBondContact SG-CA 3.34Å; C215-C244 WeakPolarHBondContact SG-CB 3.36Å; C215-C244 CovalentContact SG-SG 2.06Å; C215-C244 PolarHBondContact SG-SG 3.19Å; C235-C244 HydrophobicContact CB-CB 4.23Å; Q236-C244 PolarHBondContact O-N 3.08Å; V237-C244 VanDerWaalsContact CG2-O 3.27Å; V237-C244 WeakPolarHBondContact CG2-O 3.43Å; F242-C244 VanDerWaalsContact C-N 3.3Å
245G94.5Very high94.1Very high7 Ų761.2 Ų61.27%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-101.217.6-172.900000116.9C217 L219C217-G245 CarbonylContact O-C 3.55Å; C217-G245 VanDerWaalsContact O-C 3.23Å; C217-G245 WeakPolarHBondContact O-CA 3.35Å; C217-G245 PolarHBondContact O-N 3.46Å; L219-G245 PolarHBondContact N-O 3.47Å
246C96.1Very high94Very high2 Ų262.4 Ų62.41%0.01433%0.334CS..EExtended strand (participates in β ladder)trans-72.4141.5169.660.80000112C217 C221 C251 R257C217-C246 HydrophobicContact CB-CB 4.14Å; C221-C246 HydrophobicContact CB-CB 3.57Å; C246-C251 HydrophobicContact CB-CB 4.35Å; C246-R257 PolarHBondContact O-NE 2.96Å; C246-R257 PolarHBondContact O-NH2 3.37Å
247S94.6Very high94Very high43 Ų4361.8 Ų61.830%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-72.3169.8172.371.80000110.7L219 D249 G250 C251 R257L219-S247 PolarHBondContact O-N 2.96Å; L219-S247 PolarHBondContact O-OG 3.29Å; S247-D249 VanDerWaalsContact C-N 3.33Å; S247-D249 PolarHBondContact O-N 3.43Å; S247-G250 PolarHBondContact OG-N 2.94Å; S247-C251 WeakPolarHBondContact O-CB 3.29Å; S247-C251 PolarHBondContact O-N 3.22Å; S247-R257 WeakPolarHBondContact O-CD 3.2Å; S247-R257 PolarHBondContact O-NE 3.47Å
248R93.5Very high94Very high194 Ų19464.9 Ų64.973%0.73234%0.344SS*.EExtended strand (participates in β ladder)trans-58.6-45.8176.6-177178.2172.6-167-3.9111.9
249D94.1Very high94Very high155 Ų15566.1 Ų66.183%0.82935%0.347SS*.EExtended strand (participates in β ladder)trans-86.5-22.8-174.9-54.1-44.5000112.8S247S247-D249 VanDerWaalsContact C-N 3.33Å; S247-D249 PolarHBondContact O-N 3.43Å
250G95.1Very high94.2Very high15 Ų1564.5 Ų64.516%0.15534%0.344CS..EExtended strand (participates in β ladder)trans-88.73.8178.300000114.3Y220 C221 S247 G252Y220-G250 CarbonylContact C-O 3.54Å; Y220-G250 WeakPolarHBondContact CA-O 3.43Å; Y220-G250 VanDerWaalsContact CD2-O 3.27Å; Y220-G250 WeakPolarHBondContact CD2-O 3.32Å; C221-G250 PolarHBondContact N-O 3.25Å; S247-G250 PolarHBondContact OG-N 2.94Å; G250-G252 PolarHBondContact O-N 2.79Å
251C96.9Very high94.2Very high28 Ų2859.6 Ų59.619%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-85104.1-176.4-165.90000112.2C221 C246 S247 N253 R257C221-C251 HydrophobicContact CB-CB 4.47Å; C246-C251 HydrophobicContact CB-CB 4.35Å; S247-C251 WeakPolarHBondContact O-CB 3.29Å; S247-C251 PolarHBondContact O-N 3.22Å; C251-N253 VanDerWaalsContact C-N 3.31Å; C251-R257 HydrophobicContact CB-CB 4.18Å; C251-R257 HydrophobicContact CB-CG 4.49Å
252G96.8Very high94.2Very high28 Ų2858.5 Ų58.529%0.28931%0.313SS..  trans-78.1-8.5173.500000114.9C221 P223 G250 M254C221-G252 VanDerWaalsContact O-CA 3.25Å; C221-G252 WeakPolarHBondContact O-CA 3.33Å; C221-G252 PolarHBondContact O-N 3.24Å; P223-G252 WeakPolarHBondContact CG-O 3.33Å; G250-G252 PolarHBondContact O-N 2.79Å; G252-M254 PolarHBondContact O-N 3.32Å; G252-M254 VanDerWaalsContact O-N 3.11Å
253N97.2Very high93.8Very high9 Ų958.5 Ų58.55%0.04831%0.314CS..  trans-61.2116.6-174.6-176.43.7000112.1S229 I233 C235 C251 A255 G256S229-N253 WeakPolarHBondContact CA-OD1 3.26Å; S229-N253 WeakPolarHBondContact CB-OD1 3.38Å; S229-N253 PolarHBondContact OG-OD1 2.78Å; I233-N253 PolarHBondContact O-ND2 3.15Å; C235-N253 PolarHBondContact N-ND2 3.19Å; C235-N253 PolarHBondContact SG-ND2 3.3Å; C251-N253 VanDerWaalsContact C-N 3.31Å; N253-A255 VanDerWaalsContact C-N 3.27Å; N253-A255 PolarHBondContact O-N 3.43Å; N253-A255 WeakPolarHBondContact OD1-CB 3.44Å; N253-A255 PolarHBondContact OD1-N 2.92Å; N253-G256 WeakPolarHBondContact O-CA 3.5Å; N253-G256 PolarHBondContact O-N 3.29Å
254M96Very high93.6Very high176 Ų17666 Ų6687%0.86734%0.339SS*.THydrogen-bonded Turntrans-65.6-26.3-179.1-62.5-175.368.700113.8G252 G256G252-M254 PolarHBondContact O-N 3.32Å; G252-M254 VanDerWaalsContact O-N 3.11Å; M254-G256 PolarHBondContact O-N 3.4Å
255A96.4Very high93.2Very high36 Ų3669.7 Ų69.730%0.29836%0.361SS..THydrogen-bonded Turntrans-68.3-21.3174.200000112K234 N253K234-A255 VanDerWaalsContact CE-O 3.22Å; K234-A255 WeakPolarHBondContact CE-O 3.46Å; K234-A255 HydrophobicContact CG-CB 4.48Å; K234-A255 WeakPolarHBondContact CG-O 3.32Å; N253-A255 VanDerWaalsContact C-N 3.27Å; N253-A255 PolarHBondContact O-N 3.43Å; N253-A255 WeakPolarHBondContact OD1-CB 3.44Å; N253-A255 PolarHBondContact OD1-N 2.92Å
256G95.8Very high92.7Very high25 Ų2574.8 Ų74.826%0.25838%0.378SS..  trans107.9178.1177.100000113.8K234 C235 N253 M254K234-G256 CarbonylContact C-O 3.56Å; K234-G256 VanDerWaalsContact CA-O 3.24Å; K234-G256 WeakPolarHBondContact CA-O 3.46Å; C235-G256 PolarHBondContact N-O 3.09Å; N253-G256 WeakPolarHBondContact O-CA 3.5Å; N253-G256 PolarHBondContact O-N 3.29Å; M254-G256 PolarHBondContact O-N 3.4Å
257R95.8Very high92.2Very high52 Ų5275.8 Ų75.820%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-124.2140.8176.7-174.6178177.3-81.51.6109.8C235 V237 C246 S247 C251 E259C235-R257 HydrophobicContact CB-CB 4.4Å; C235-R257 HydrophobicContact CB-CG 4.24Å; C235-R257 WeakPolarHBondContact O-CA 3.34Å; V237-R257 HydrophobicContact CG2-CG 4.32Å; C246-R257 PolarHBondContact O-NE 2.96Å; C246-R257 PolarHBondContact O-NH2 3.37Å; S247-R257 WeakPolarHBondContact O-CD 3.2Å; S247-R257 PolarHBondContact O-NE 3.47Å; C251-R257 HydrophobicContact CB-CB 4.18Å; C251-R257 HydrophobicContact CB-CG 4.49Å; R257-E259 IonicContact CZ-OE1 3.81Å; R257-E259 IonicContact CZ-OE2 3.93Å; R257-E259 VanDerWaalsContact NH1-CD 3.27Å; R257-E259 IonicContact NH1-OE1 2.89Å; R257-E259 IonicContact NH1-OE2 3.48Å; R257-E259 PolarHBondContact NH1-OE2 2.86Å; R257-E259 IonicContact NH2-OE1 2.66Å; R257-E259 PolarHBondContact NH2-OE1 3.45Å; R257-E259 IonicContact NH2-OE2 2.59Å
258I94.3Very high91.7Very high72 Ų7279.9 Ų79.937%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-130.8136.2173.250.2-177.1000108.6K234 C235 Q236 V237K234-I258 HydrophobicContact CB-CD1 4.04Å; K234-I258 HydrophobicContact CB-CG1 4.07Å; K234-I258 HydrophobicContact CD-CD1 4.37Å; K234-I258 HydrophobicContact CD-CG2 4.03Å; C235-I258 PolarHBondContact O-N 2.91Å; Q236-I258 HydrophobicContact CB-CG1 4.41Å; V237-I258 PolarHBondContact N-O 3.4Å
259E92.8Very high91.4Very high100 Ų10077.5 Ų77.547%0.46739%0.391SS..EExtended strand (participates in β ladder)trans-125.3135.8-176.1-177.6160.2-130.700109.1V237 R257 N261V237-E259 HydrophobicContact CB-CB 4.49Å; V237-E259 HydrophobicContact CB-CG 4.4Å; V237-E259 CarbonylContact O-C 3.23Å; V237-E259 WeakPolarHBondContact O-CA 3.24Å; R257-E259 IonicContact CZ-OE1 3.81Å; R257-E259 IonicContact CZ-OE2 3.93Å; R257-E259 VanDerWaalsContact NH1-CD 3.27Å; R257-E259 IonicContact NH1-OE1 2.89Å; R257-E259 IonicContact NH1-OE2 3.48Å; R257-E259 PolarHBondContact NH1-OE2 2.86Å; R257-E259 IonicContact NH2-OE1 2.66Å; R257-E259 PolarHBondContact NH2-OE1 3.45Å; R257-E259 IonicContact NH2-OE2 2.59Å; E259-N261 PolarHBondContact O-N 3.2Å
260F92.3Very high90.9Very high106 Ų10673.5 Ų73.547%0.46537%0.369SS..  trans-64.2123.6174.4178.5-101.5000109.3V237 D238 P262 V265V237-F260 PolarHBondContact O-N 2.96Å; D238-F260 WeakPolarHBondContact O-CB 3.33Å; F260-P262 HydrophobicContact CE1-CB 3.93Å; F260-V265 HydrophobicContact CE2-CG2 4.06Å; F260-V265 HydrophobicContact CZ-CG2 4.26Å
261N87.4Confident90.2Very high70 Ų7076.5 Ų76.537%0.37438%0.379SS..  trans-114101.2-179.1-174.6-40.5000108.9E259 I263 R264 V265E259-N261 PolarHBondContact O-N 3.2Å; N261-I263 PolarHBondContact O-N 3.26Å; N261-I263 WeakPolarHBondContact OD1-CA 3.48Å; N261-I263 WeakPolarHBondContact OD1-CB 3.33Å; N261-I263 PolarHBondContact OD1-N 2.95Å; N261-R264 HydrophobicContact CB-CB 4.05Å; N261-R264 PolarHBondContact O-N 3.14Å; N261-R264 PolarHBondContact OD1-N 3.19Å; N261-V265 PolarHBondContact O-N 3.18Å
262P87.3Confident89.7Confident52 Ų5277.5 Ų77.534%0.33838%0.384SS..Hα-helixtrans-65.1-28-178.425.7-33.5000112.4F260 V265 R266F260-P262 HydrophobicContact CE1-CB 3.93Å; P262-V265 PolarHBondContact O-N 3.46Å; P262-R266 PolarHBondContact O-N 3.43Å
263I84.5Confident89.3Confident35 Ų3579.2 Ų79.218%0.17939%0.386CS..Hα-helixtrans-65.1-49.5176.6-57.8170.8000109.5N261 V265 R266 T267 Q328 E331N261-I263 PolarHBondContact O-N 3.26Å; N261-I263 WeakPolarHBondContact OD1-CA 3.48Å; N261-I263 WeakPolarHBondContact OD1-CB 3.33Å; N261-I263 PolarHBondContact OD1-N 2.95Å; I263-V265 PolarHBondContact O-N 2.85Å; I263-R266 PolarHBondContact O-N 3.19Å; I263-T267 WeakPolarHBondContact O-CB 3.34Å; I263-T267 PolarHBondContact O-N 3.43Å; I263-T267 PolarHBondContact O-OG1 3.3Å; I263-T267 VanDerWaalsContact O-OG1 3.12Å; I263-Q328 HydrophobicContact CD1-CG 4.49Å; I263-Q328 HydrophobicContact CG2-CG 3.47Å; I263-Q328 VanDerWaalsContact CG2-CG 3.47Å; I263-E331 HydrophobicContact CD1-CB 4.46Å; I263-E331 HydrophobicContact CD1-CG 4.42Å; I263-E331 VanDerWaalsContact CG1-OE2 3.27Å; I263-E331 WeakPolarHBondContact CG1-OE2 3.43Å
264R88.4Confident88.4Confident181 Ų18179.9 Ų79.968%0.68339%0.389SS*.Hα-helixtrans-56.2-39.7-179-170.3178.173.7-173.52.1111.5N261 H268N261-R264 HydrophobicContact CB-CB 4.05Å; N261-R264 PolarHBondContact O-N 3.14Å; N261-R264 PolarHBondContact OD1-N 3.19Å; R264-H268 VanDerWaalsContact O-CB 3.26Å; R264-H268 WeakPolarHBondContact O-CB 3.29Å; R264-H268 PolarHBondContact O-N 3.16Å; R264-H268 VanDerWaalsContact O-N 3.08Å
265V88.3Confident88Confident77 Ų7777.4 Ų77.447%0.46737%0.374SS..Hα-helixtrans-66.6-49.1176.4-179.70000110.9F260 N261 P262 I263 H268 Y269F260-V265 HydrophobicContact CE2-CG2 4.06Å; F260-V265 HydrophobicContact CZ-CG2 4.26Å; N261-V265 PolarHBondContact O-N 3.18Å; P262-V265 PolarHBondContact O-N 3.46Å; I263-V265 PolarHBondContact O-N 2.85Å; V265-H268 PolarHBondContact O-N 3.35Å; V265-Y269 PolarHBondContact O-N 3.02Å
266R83.1Confident87.4Confident114 Ų11480.2 Ų80.243%0.4338%0.383SS..Hα-helixtrans-62.3-46178.8-79.6-174.2-74.6168.8-7.3113.1P262 I263 H268 Y269 L270 E331P262-R266 PolarHBondContact O-N 3.43Å; I263-R266 PolarHBondContact O-N 3.19Å; R266-H268 VanDerWaalsContact C-N 3.34Å; R266-H268 PolarHBondContact O-N 3.11Å; R266-Y269 WeakPolarHBondContact O-CB 3.22Å; R266-Y269 PolarHBondContact O-N 3.13Å; R266-L270 WeakPolarHBondContact O-CG 3.21Å; R266-L270 PolarHBondContact O-N 2.9Å; R266-E331 IonicContact CZ-OE2 2.59Å; R266-E331 IonicContact NH1-OE2 3.23Å; R266-E331 IonicContact NH2-OE1 3.56Å; R266-E331 PolarHBondContact NH2-OE1 2.99Å; R266-E331 IonicContact NH2-OE2 3.95Å; R266-E331 PolarHBondContact NH2-OE2 3.33Å
267T85.6Confident86.9Confident24 Ų2483.5 Ų83.515%0.14739%0.392CS..Hα-helixtrans-60.6-45.1176.4-58.10000111I263 Y269 L270 H271 V324I263-T267 WeakPolarHBondContact O-CB 3.34Å; I263-T267 PolarHBondContact O-N 3.43Å; I263-T267 PolarHBondContact O-OG1 3.3Å; I263-T267 VanDerWaalsContact O-OG1 3.12Å; T267-Y269 VanDerWaalsContact C-N 3.32Å; T267-Y269 PolarHBondContact O-N 3.37Å; T267-L270 PolarHBondContact O-N 3.04Å; T267-H271 WeakPolarHBondContact CG2-NE2 3.24Å; T267-H271 WeakPolarHBondContact O-CB 3.46Å; T267-H271 PolarHBondContact O-CD2 3.27Å; T267-H271 VanDerWaalsContact O-CD2 3.29Å; T267-H271 VanDerWaalsContact O-CG 3.31Å; T267-H271 PolarHBondContact O-N 3.08Å; T267-V324 HydrophobicContact CG2-CG1 3.66Å; T267-V324 HydrophobicContact CG2-CG2 4.03Å
268H84.6Confident86.3Confident128 Ų12883 Ų8359%0.59339%0.393SS*.Hα-helixtrans-60.5-42.6176.2176.567.1000112.1R264 V265 R266 T272R264-H268 VanDerWaalsContact O-CB 3.26Å; R264-H268 WeakPolarHBondContact O-CB 3.29Å; R264-H268 PolarHBondContact O-N 3.16Å; R264-H268 VanDerWaalsContact O-N 3.08Å; V265-H268 PolarHBondContact O-N 3.35Å; R266-H268 VanDerWaalsContact C-N 3.34Å; R266-H268 PolarHBondContact O-N 3.11Å; H268-T272 PolarHBondContact CE1-OG1 3.36Å; H268-T272 VanDerWaalsContact CE1-OG1 3.31Å; H268-T272 VanDerWaalsContact O-CB 3.24Å; H268-T272 WeakPolarHBondContact O-CB 3.42Å; H268-T272 PolarHBondContact O-N 3.23Å; H268-T272 PolarHBondContact O-OG1 3.31Å
269Y86Confident85.7Confident145 Ų14583.5 Ų83.557%0.56939%0.394SS*.Hα-helixtrans-57.3-55.6175.1171.1-99.8000111.2V265 R266 T267 H271 T272 I273V265-Y269 PolarHBondContact O-N 3.02Å; R266-Y269 WeakPolarHBondContact O-CB 3.22Å; R266-Y269 PolarHBondContact O-N 3.13Å; T267-Y269 VanDerWaalsContact C-N 3.32Å; T267-Y269 PolarHBondContact O-N 3.37Å; Y269-H271 PolarHBondContact O-N 2.76Å; Y269-T272 PolarHBondContact O-N 2.95Å; Y269-T272 VanDerWaalsContact O-N 3.11Å; Y269-I273 HydrophobicContact CD2-CG1 4.16Å; Y269-I273 HydrophobicContact CE1-CG1 4.28Å; Y269-I273 HydrophobicContact CE2-CD1 4.09Å; Y269-I273 HydrophobicContact CE2-CG1 3.78Å; Y269-I273 WeakPolarHBondContact O-CG1 3.1Å; Y269-I273 PolarHBondContact O-N 3.26Å
270L84.4Confident85Confident70 Ų7082 Ų8237%0.36639%0.394SS..Hα-helixtrans-56.7-49.4-179.8-68.4173.5000111.6R266 T267 T272 I273 M274 L327R266-L270 WeakPolarHBondContact O-CG 3.21Å; R266-L270 PolarHBondContact O-N 2.9Å; T267-L270 PolarHBondContact O-N 3.04Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.42Å; L270-I273 PolarHBondContact O-N 3.43Å; L270-M274 WeakPolarHBondContact O-CB 3.22Å; L270-M274 PolarHBondContact O-N 3.5Å; L270-L327 HydrophobicContact CD1-CD1 4.44Å
271H80.7Confident84.5Confident78 Ų7883.3 Ų83.336%0.36140%0.399SS..Hα-helixtrans-60.9-37.7178.8-73.2-161.7000112.4T267 Y269 K275 N320T267-H271 WeakPolarHBondContact CG2-NE2 3.24Å; T267-H271 WeakPolarHBondContact O-CB 3.46Å; T267-H271 PolarHBondContact O-CD2 3.27Å; T267-H271 VanDerWaalsContact O-CD2 3.29Å; T267-H271 VanDerWaalsContact O-CG 3.31Å; T267-H271 PolarHBondContact O-N 3.08Å; Y269-H271 PolarHBondContact O-N 2.76Å; H271-K275 WeakPolarHBondContact O-CB 3.47Å; H271-K275 PolarHBondContact O-N 2.84Å; H271-N320 PolarHBondContact CD2-OD1 2.59Å; H271-N320 VanDerWaalsContact CD2-OD1 3.3Å; H271-N320 PolarHBondContact NE2-OD1 3.17Å
272T87.3Confident84.1Confident50 Ų5088.8 Ų88.831%0.30742%0.415SS..Hα-helixtrans-69.5-47.4-178.4-60.40000110.7H268 Y269 L270 K275 L276H268-T272 PolarHBondContact CE1-OG1 3.36Å; H268-T272 VanDerWaalsContact CE1-OG1 3.31Å; H268-T272 VanDerWaalsContact O-CB 3.24Å; H268-T272 WeakPolarHBondContact O-CB 3.42Å; H268-T272 PolarHBondContact O-N 3.23Å; H268-T272 PolarHBondContact O-OG1 3.31Å; Y269-T272 PolarHBondContact O-N 2.95Å; Y269-T272 VanDerWaalsContact O-N 3.11Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.42Å; T272-K275 PolarHBondContact O-N 2.93Å; T272-L276 HydrophobicContact CG2-CD1 4.07Å; T272-L276 VanDerWaalsContact O-CG 3.27Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.22Å
273I86.7Confident83.1Confident63 Ų6393.1 Ų93.132%0.32343%0.431SS..Hα-helixtrans-60.6-50.1177-63.3-58.7000110.5Y269 L270 K275 L276 E277Y269-I273 HydrophobicContact CD2-CG1 4.16Å; Y269-I273 HydrophobicContact CE1-CG1 4.28Å; Y269-I273 HydrophobicContact CE2-CD1 4.09Å; Y269-I273 HydrophobicContact CE2-CG1 3.78Å; Y269-I273 WeakPolarHBondContact O-CG1 3.1Å; Y269-I273 PolarHBondContact O-N 3.26Å; L270-I273 PolarHBondContact O-N 3.43Å; I273-K275 VanDerWaalsContact C-N 3.3Å; I273-K275 PolarHBondContact O-N 3.14Å; I273-L276 PolarHBondContact O-N 3.29Å; I273-L276 VanDerWaalsContact O-N 3.08Å; I273-E277 HydrophobicContact CG2-CG 4.43Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.42Å; I273-E277 PolarHBondContact O-N 3.01Å
274M79.4Confident81.9Confident23 Ų2397.4 Ų97.411%0.11346%0.458CS..Hα-helixtrans-56.4-43.7177.4-116.5176.35200112.7L270 E277 L278 F316 I317 N320L270-M274 WeakPolarHBondContact O-CB 3.22Å; L270-M274 PolarHBondContact O-N 3.5Å; M274-E277 PolarHBondContact O-N 3.32Å; M274-L278 VanDerWaalsContact O-CG 3.28Å; M274-L278 WeakPolarHBondContact O-CG 3.29Å; M274-L278 PolarHBondContact O-N 2.9Å; M274-F316 HydrophobicContact CE-CD1 3.76Å; M274-F316 HydrophobicContact CE-CE1 3.19Å; M274-F316 HydrophobicContact CE-CZ 3.82Å; M274-F316 HydrophobicContact CG-CE1 3.61Å; M274-F316 HydrophobicContact CG-CZ 3.58Å; M274-F316 HydrophobicContact SD-CD1 4.39Å; M274-F316 HydrophobicContact SD-CE1 3.39Å; M274-F316 WeakPolarHBondContact SD-CE1 3.39Å; M274-F316 HydrophobicContact SD-CE2 4.3Å; M274-F316 HydrophobicContact SD-CZ 3.32Å; M274-F316 WeakPolarHBondContact SD-CZ 3.43Å; M274-I317 HydrophobicContact CE-CD1 4.27Å; M274-N320 HydrophobicContact CE-CB 3.75Å; M274-N320 HydrophobicContact SD-CB 4.24Å; M274-N320 PolarHBondContact SD-ND2 2.97Å
275K87Confident80.3Confident125 Ų12592.7 Ų92.754%0.54345%0.453SS..Hα-helixtrans-63.2-43.6177.7179.9-177170.2-1700111.5H271 T272 I273 L278 E279H271-K275 WeakPolarHBondContact O-CB 3.47Å; H271-K275 PolarHBondContact O-N 2.84Å; T272-K275 PolarHBondContact O-N 2.93Å; I273-K275 VanDerWaalsContact C-N 3.3Å; I273-K275 PolarHBondContact O-N 3.14Å; K275-L278 PolarHBondContact O-N 2.68Å; K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 IonicContact NZ-OE1 2.92Å; K275-E279 WeakPolarHBondContact O-CB 3.38Å; K275-E279 WeakPolarHBondContact O-CG 3.41Å; K275-E279 PolarHBondContact O-N 3.27Å
276L84.5Confident78.3Confident95 Ų9598.7 Ų98.750%0.49747%0.467SS..Hα-helixtrans-64.6-41.3178.5-70.8172.2000111.6T272 I273 E279 S280T272-L276 HydrophobicContact CG2-CD1 4.07Å; T272-L276 VanDerWaalsContact O-CG 3.27Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.22Å; I273-L276 PolarHBondContact O-N 3.29Å; I273-L276 VanDerWaalsContact O-N 3.08Å; L276-E279 PolarHBondContact O-N 3.12Å; L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 3.02Å
277E85.2Confident76.4Confident94 Ų9498.5 Ų98.544%0.43948%0.481SS..Hα-helixtrans-61.3-43.8174.8-72.6175.1-169.600112.2I273 M274 S280 K281I273-E277 HydrophobicContact CG2-CG 4.43Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.42Å; I273-E277 PolarHBondContact O-N 3.01Å; M274-E277 PolarHBondContact O-N 3.32Å; E277-S280 WeakPolarHBondContact O-CB 3.21Å; E277-S280 PolarHBondContact O-N 2.93Å; E277-K281 WeakPolarHBondContact O-CG 3.22Å; E277-K281 PolarHBondContact O-N 2.97Å
278L82.4Confident74.2Confident41 Ų41102 Ų10222%0.21551%0.512CS..Hα-helixtrans-65.6-40.8176.4-69.5166.6000111.5M274 K275 S280 R282 F313 F316M274-L278 VanDerWaalsContact O-CG 3.28Å; M274-L278 WeakPolarHBondContact O-CG 3.29Å; M274-L278 PolarHBondContact O-N 2.9Å; K275-L278 PolarHBondContact O-N 2.68Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 3.37Å; L278-R282 WeakPolarHBondContact O-CB 3.43Å; L278-R282 WeakPolarHBondContact O-CG 3.25Å; L278-R282 PolarHBondContact O-N 3.06Å; L278-R282 VanDerWaalsContact O-N 3.09Å; L278-F313 HydrophobicContact CD1-CD2 4.12Å; L278-F313 HydrophobicContact CD1-CE2 3.7Å; L278-F316 HydrophobicContact CD1-CD1 4.33Å; L278-F316 HydrophobicContact CD1-CE1 4.12Å
279E81.3Confident72Confident83 Ų83100.2 Ų100.239%0.38852%0.52SS..Hα-helixtrans-65.4-33173.8-74.9179.1-175.400112.4K275 L276 Q283K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 IonicContact NZ-OE1 2.92Å; K275-E279 WeakPolarHBondContact O-CB 3.38Å; K275-E279 WeakPolarHBondContact O-CG 3.41Å; K275-E279 PolarHBondContact O-N 3.27Å; L276-E279 PolarHBondContact O-N 3.12Å; E279-Q283 WeakPolarHBondContact O-CG 3.38Å; E279-Q283 PolarHBondContact O-N 3.24Å; E279-Q283 PolarHBondContact O-NE2 3.03Å
280S79.7Confident70Confident67 Ų6798.8 Ų98.847%0.46953%0.528SS..Hα-helixtrans-69.3-51.1174.3-175.70000111.8L276 E277 L278 R282 Q283 V284L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 3.02Å; E277-S280 WeakPolarHBondContact O-CB 3.21Å; E277-S280 PolarHBondContact O-N 2.93Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 3.37Å; S280-R282 PolarHBondContact O-N 3.47Å; S280-Q283 PolarHBondContact O-N 3.4Å; S280-V284 PolarHBondContact O-N 2.96Å
281K81.1Confident68.1Low135 Ų135103.1 Ų103.159%0.58755%0.552SS**Hα-helixtrans-55.2-37.5175.8-73.2173.1-178.1173.40112E277 S285E277-K281 WeakPolarHBondContact O-CG 3.22Å; E277-K281 PolarHBondContact O-N 2.97Å; K281-S285 WeakPolarHBondContact O-CB 3.36Å; K281-S285 PolarHBondContact O-N 3.36Å; K281-S285 VanDerWaalsContact O-N 3.1Å; K281-S285 PolarHBondContact O-OG 2.84Å
282R79.3Confident66.2Low185 Ų185107.9 Ų107.970%0.69857%0.574SS**Hα-helixtrans-72.2-24.9176.2-71-177.377.6-169.87.7114.6L278 S280 S285L278-R282 WeakPolarHBondContact O-CB 3.43Å; L278-R282 WeakPolarHBondContact O-CG 3.25Å; L278-R282 PolarHBondContact O-N 3.06Å; L278-R282 VanDerWaalsContact O-N 3.09Å; S280-R282 PolarHBondContact O-N 3.47Å; R282-S285 VanDerWaalsContact CA-OG 3.29Å; R282-S285 WeakPolarHBondContact CA-OG 3.45Å; R282-S285 PolarHBondContact O-OG 3.01Å
283Q65.2Low63.8Low143 Ų143113.7 Ų113.767%0.66860%0.598SS**Hα-helixtrans-81-37.4175.3-76.2174.768.800111.7E279 S280 R286E279-Q283 WeakPolarHBondContact O-CG 3.38Å; E279-Q283 PolarHBondContact O-N 3.24Å; E279-Q283 PolarHBondContact O-NE2 3.03Å; S280-Q283 PolarHBondContact O-N 3.4Å; Q283-R286 PolarHBondContact O-N 2.82Å
284V60.1Low61.5Low125 Ų125116.1 Ų116.176%0.75862%0.617SS**Hα-helixtrans-68.9-34.2175.4178.50000111.8S280 R286S280-V284 PolarHBondContact O-N 2.96Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 3.35Å
285S54.6Low59.1Low82 Ų82120.4 Ų120.457%0.57365%0.65SS**THydrogen-bonded Turntrans-81.7-0.3177.450.40000114.8K281 R282 P287K281-S285 WeakPolarHBondContact O-CB 3.36Å; K281-S285 PolarHBondContact O-N 3.36Å; K281-S285 VanDerWaalsContact O-N 3.1Å; K281-S285 PolarHBondContact O-OG 2.84Å; R282-S285 VanDerWaalsContact CA-OG 3.29Å; R282-S285 WeakPolarHBondContact CA-OG 3.45Å; R282-S285 PolarHBondContact O-OG 3.01Å; S285-P287 WeakPolarHBondContact O-CD 3.39Å
286R45.3Very low57.2Low202 Ų202119.7 Ų119.776%0.76266%0.658SS**SBendtrans-88.4103.2173.2-166.8177.174.7163.24109Q283 V284 A288Q283-R286 PolarHBondContact O-N 2.82Å; V284-R286 VanDerWaalsContact C-N 3.32Å; V284-R286 PolarHBondContact O-N 3.35Å; R286-A288 PolarHBondContact O-N 3.01Å
287P43.8Very low55Low110 Ų110121.9 Ų121.971%0.71468%0.675SS**  trans-58139.9176.722.5-31.2000109.9S285 A289S285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-A289 PolarHBondContact O-N 3.07Å
288A40.2Very low52.5Low99 Ų99122.1 Ų122.182%0.81869%0.693SS**  trans-55.3113.1167.100000107.4R286R286-A288 PolarHBondContact O-N 3.01Å
289A38.5Very low50.7Low90 Ų90126 Ų12674%0.74472%0.724SS**  trans-59.4130.6173.300000107.8P287 D291P287-A289 PolarHBondContact O-N 3.07Å; A289-D291 PolarHBondContact O-N 3.41Å
290P43Very low48.3Very low114 Ų114128 Ų12874%0.7475%0.746SS**  trans-62.7133.4165-9.724.6000107.9E292P290-E292 PolarHBondContact O-N 2.84Å; P290-E292 VanDerWaalsContact O-N 3.15Å
291D45.4Very low46.6Very low162 Ų162130.2 Ų130.287%0.86676%0.761SS**  trans-54.8112.7161.1-101-36.7000107.9A289A289-D291 PolarHBondContact O-N 3.41Å
292E40.5Very low44.4Very low178 Ų178132.2 Ų132.283%0.83278%0.777SS**  trans-145.7133.8162.4-84.5-63.3123.400109.9P290P290-E292 PolarHBondContact O-N 2.84Å; P290-E292 VanDerWaalsContact O-N 3.15Å
293E37.4Very low42.8Very low172 Ų172130 Ų13080%0.80479%0.785SS**  trans-53.1159.3-177.3-86.5-87119.100115.4
294P36.6Very low41.8Very low113 Ų113127 Ų12773%0.73479%0.791SS**  trans-82.5124.6-174.333.5-29.5000111.3
295S30Very low40.8Very low113 Ų113124.6 Ų124.679%0.7979%0.785SS**  trans-145.3147.8153.7600000112
296P47Very low40.2Very low110 Ų110127 Ų12771%0.71479%0.787SS**  trans-97.6162.5-160.437.5-32.5000113.2
297T38.8Very low39.9Very low141 Ų141119.6 Ų119.687%0.86577%0.773SS**  trans86.6102.9165.369.80000117.7
298A32.9Very low40Very low99 Ų99118.9 Ų118.982%0.81877%0.771SS**  -175120.3125.600000109.7C300A298-C300 PolarHBondContact O-N 3.21Å
299S43.2Very low40.2Very low124 Ų124120.8 Ų120.887%0.86776%0.763SS**  trans-65.2125.7166.2-64.30000110
300C31.6Very low40.6Very low125 Ų125120.2 Ų120.285%0.84575%0.751SS**  trans-145.8117.4154.9-940000109.8A298 L302A298-C300 PolarHBondContact O-N 3.21Å; C300-L302 PolarHBondContact O-N 3.32Å
301S43.2Very low41Very low112 Ų112121.3 Ų121.378%0.78375%0.746SS**  trans-64.6122.5175.4-52.60000111.2
302L36.2Very low41.2Very low177 Ų177119.2 Ų119.293%0.92774%0.735SS**  trans-120.685.2160.2-77.4170.3000108.8C300C300-L302 PolarHBondContact O-N 3.32Å
303T46.2Very low41.6Very low140 Ų140114.5 Ų114.586%0.85971%0.712SS**  trans-80.9105.2159.148.30000107.6
304G42.9Very low42.5Very low78 Ų78111.6 Ų111.680%0.80470%0.698SS**  trans159.456.9174.400000115.6
305A39.7Very low43.7Very low75 Ų75112.7 Ų112.762%0.6269%0.693SS**SBendtrans-162.2-10.6164.300000113.2G307A305-G307 PolarHBondContact O-N 3.43Å
306Q42.7Very low45Very low133 Ų133110.9 Ų110.962%0.62167%0.671SS**Hα-helixtrans-83.9-8.4-172.6-65.3-83.9-24.400114.2T310Q306-T310 WeakPolarHBondContact O-CG2 3.4Å; Q306-T310 PolarHBondContact O-OG1 3.01Å
307G37.8Very low45.7Very low46 Ų46107.6 Ų107.647%0.47465%0.647SS.*Hα-helixtrans-84.6-37.4-172.400000114.5A305 T310 Q311A305-G307 PolarHBondContact O-N 3.43Å; G307-T310 PolarHBondContact O-OG1 3.49Å; G307-Q311 WeakPolarHBondContact O-CB 3.5Å; G307-Q311 PolarHBondContact O-N 2.99Å
308S46.5Very low47Very low96 Ų96103.3 Ų103.367%0.67163%0.626SS**Hα-helixtrans-74.3-41.8-176-162.90000112T310 Q311 D312S308-T310 PolarHBondContact O-N 2.94Å; S308-Q311 PolarHBondContact O-N 3.44Å; S308-D312 PolarHBondContact O-N 3.01Å; S308-D312 VanDerWaalsContact O-N 3.13Å
309E43.1Very low48.6Very low138 Ų138105 Ų10565%0.64562%0.617SS**Hα-helixtrans-68.6-32.9-179.1-62.5-176.9126.300112.6F313E309-F313 VanDerWaalsContact O-CB 3.3Å; E309-F313 WeakPolarHBondContact O-CB 3.46Å; E309-F313 PolarHBondContact O-N 3.23Å
310T48.3Very low49.1Very low79 Ų79100.3 Ų100.349%0.48558%0.583SS.*Hα-helixtrans-73.9-28.8176.5460000113Q306 G307 S308 Q314Q306-T310 WeakPolarHBondContact O-CG2 3.4Å; Q306-T310 PolarHBondContact O-OG1 3.01Å; G307-T310 PolarHBondContact O-OG1 3.49Å; S308-T310 PolarHBondContact O-N 2.94Å; T310-Q314 VanDerWaalsContact O-CB 3.28Å; T310-Q314 WeakPolarHBondContact O-CB 3.27Å; T310-Q314 PolarHBondContact O-N 2.98Å; T310-Q314 VanDerWaalsContact O-N 3.12Å
311Q50.6Low50.8Low136 Ų136100.7 Ų100.764%0.63657%0.572SS**Hα-helixtrans-78.9-43.9-177.7-152.7165.117.700110.4G307 S308 F313 Q314 E315G307-Q311 WeakPolarHBondContact O-CB 3.5Å; G307-Q311 PolarHBondContact O-N 2.99Å; S308-Q311 PolarHBondContact O-N 3.44Å; Q311-F313 VanDerWaalsContact C-N 3.33Å; Q311-F313 PolarHBondContact O-N 3.05Å; Q311-Q314 PolarHBondContact O-N 2.89Å; Q311-Q314 VanDerWaalsContact O-N 3.13Å; Q311-E315 WeakPolarHBondContact O-CB 3.27Å; Q311-E315 PolarHBondContact O-N 3.35Å
312D50Low52Low118 Ų11899 Ų9963%0.63156%0.556SS**Hα-helixtrans-61.7-40.3173.9-158.444.6000111.6S308 Q314 F316S308-D312 PolarHBondContact O-N 3.01Å; S308-D312 VanDerWaalsContact O-N 3.13Å; D312-Q314 PolarHBondContact O-N 3.02Å; D312-F316 WeakPolarHBondContact O-CB 3.5Å; D312-F316 PolarHBondContact O-N 2.78Å
313F48Very low53.3Low80 Ų8092.7 Ų92.735%0.35153%0.53SS..Hα-helixtrans-66.6-36.3173.9-174.7-93.9000112.8L278 E309 Q311 I317L278-F313 HydrophobicContact CD1-CD2 4.12Å; L278-F313 HydrophobicContact CD1-CE2 3.7Å; E309-F313 VanDerWaalsContact O-CB 3.3Å; E309-F313 WeakPolarHBondContact O-CB 3.46Å; E309-F313 PolarHBondContact O-N 3.23Å; Q311-F313 VanDerWaalsContact C-N 3.33Å; Q311-F313 PolarHBondContact O-N 3.05Å; F313-I317 HydrophobicContact CD1-CG1 4.2Å; F313-I317 HydrophobicContact CE1-CG1 3.95Å; F313-I317 HydrophobicContact CZ-CD1 4.31Å; F313-I317 HydrophobicContact CZ-CG1 4.19Å; F313-I317 WeakPolarHBondContact O-CB 3.34Å; F313-I317 WeakPolarHBondContact O-CG1 3.32Å; F313-I317 PolarHBondContact O-N 2.88Å; F313-I317 VanDerWaalsContact O-N 3.1Å
314Q56.3Low54.3Low111 Ų11186.7 Ų86.752%0.51949%0.493SS..Hα-helixtrans-77.4-35-178.2-167.7162.620.700112.1T310 Q311 D312 A318T310-Q314 VanDerWaalsContact O-CB 3.28Å; T310-Q314 WeakPolarHBondContact O-CB 3.27Å; T310-Q314 PolarHBondContact O-N 2.98Å; T310-Q314 VanDerWaalsContact O-N 3.12Å; Q311-Q314 PolarHBondContact O-N 2.89Å; Q311-Q314 VanDerWaalsContact O-N 3.13Å; D312-Q314 PolarHBondContact O-N 3.02Å; Q314-A318 WeakPolarHBondContact O-CB 3.32Å; Q314-A318 PolarHBondContact O-N 3.25Å
315E63Low55.4Low135 Ų13587.9 Ų87.963%0.63148%0.479SS*.Hα-helixtrans-68.3-43.8173.4-171.6162.8-16700111.2Q311 I317 A318 E319Q311-E315 WeakPolarHBondContact O-CB 3.27Å; Q311-E315 PolarHBondContact O-N 3.35Å; E315-I317 PolarHBondContact O-N 2.86Å; E315-A318 PolarHBondContact O-N 3.08Å; E315-E319 WeakPolarHBondContact O-CB 3.11Å; E315-E319 PolarHBondContact O-N 3.35Å
316F56.2Low56.9Low75 Ų7590.8 Ų90.833%0.32948%0.48SS..Hα-helixtrans-63.8-38.8175.6-176.3-111.2000113.5M274 L278 D312 N320M274-F316 HydrophobicContact CE-CD1 3.76Å; M274-F316 HydrophobicContact CE-CE1 3.19Å; M274-F316 HydrophobicContact CE-CZ 3.82Å; M274-F316 HydrophobicContact CG-CE1 3.61Å; M274-F316 HydrophobicContact CG-CZ 3.58Å; M274-F316 HydrophobicContact SD-CD1 4.39Å; M274-F316 HydrophobicContact SD-CE1 3.39Å; M274-F316 WeakPolarHBondContact SD-CE1 3.39Å; M274-F316 HydrophobicContact SD-CE2 4.3Å; M274-F316 HydrophobicContact SD-CZ 3.32Å; M274-F316 WeakPolarHBondContact SD-CZ 3.43Å; L278-F316 HydrophobicContact CD1-CD1 4.33Å; L278-F316 HydrophobicContact CD1-CE1 4.12Å; D312-F316 WeakPolarHBondContact O-CB 3.5Å; D312-F316 PolarHBondContact O-N 2.78Å; F316-N320 WeakPolarHBondContact O-CB 3.35Å; F316-N320 PolarHBondContact O-N 3.3Å
317I61.8Low58.1Low42 Ų4288.7 Ų88.722%0.21547%0.472CS..Hα-helixtrans-68.9-36.8175-67.9-71.4000111.1M274 F313 E315 N320 E321M274-I317 HydrophobicContact CE-CD1 4.27Å; F313-I317 HydrophobicContact CD1-CG1 4.2Å; F313-I317 HydrophobicContact CE1-CG1 3.95Å; F313-I317 HydrophobicContact CZ-CD1 4.31Å; F313-I317 HydrophobicContact CZ-CG1 4.19Å; F313-I317 WeakPolarHBondContact O-CB 3.34Å; F313-I317 WeakPolarHBondContact O-CG1 3.32Å; F313-I317 PolarHBondContact O-N 2.88Å; F313-I317 VanDerWaalsContact O-N 3.1Å; E315-I317 PolarHBondContact O-N 2.86Å; I317-N320 PolarHBondContact O-N 2.84Å; I317-E321 WeakPolarHBondContact O-CB 3.33Å; I317-E321 PolarHBondContact O-N 3.48Å
318A66.1Low59.5Low51 Ų5189.7 Ų89.742%0.42147%0.465SS..Hα-helixtrans-67.6-41.4175.800000111.8Q314 E315 N320 E321 T322Q314-A318 WeakPolarHBondContact O-CB 3.32Å; Q314-A318 PolarHBondContact O-N 3.25Å; E315-A318 PolarHBondContact O-N 3.08Å; A318-N320 VanDerWaalsContact C-N 3.3Å; A318-N320 PolarHBondContact O-N 3.11Å; A318-E321 PolarHBondContact O-N 3.48Å; A318-T322 WeakPolarHBondContact O-CG2 3.32Å; A318-T322 PolarHBondContact O-N 3.33Å; A318-T322 PolarHBondContact O-OG1 2.88Å
319E66.3Low61Low133 Ų13387.9 Ų87.962%0.62145%0.452SS*.Hα-helixtrans-65.6-33.2174.5-169.8173.9-160.600112.2E315 T322 A323E315-E319 WeakPolarHBondContact O-CB 3.11Å; E315-E319 PolarHBondContact O-N 3.35Å; E319-T322 WeakPolarHBondContact CA-OG1 3.47Å; E319-T322 PolarHBondContact O-OG1 2.98Å; E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 2.88Å
320N54.6Low62.4Low27 Ų2784.3 Ų84.314%0.14445%0.446CS..Hα-helixtrans-70.7-42.2173.4-170.5-98.3000112.4H271 M274 F316 I317 A318 T322 A323 V324H271-N320 PolarHBondContact CD2-OD1 2.59Å; H271-N320 VanDerWaalsContact CD2-OD1 3.3Å; H271-N320 PolarHBondContact NE2-OD1 3.17Å; M274-N320 HydrophobicContact CE-CB 3.75Å; M274-N320 HydrophobicContact SD-CB 4.24Å; M274-N320 PolarHBondContact SD-ND2 2.97Å; F316-N320 WeakPolarHBondContact O-CB 3.35Å; F316-N320 PolarHBondContact O-N 3.3Å; I317-N320 PolarHBondContact O-N 2.84Å; A318-N320 VanDerWaalsContact C-N 3.3Å; A318-N320 PolarHBondContact O-N 3.11Å; N320-T322 VanDerWaalsContact C-N 3.29Å; N320-T322 PolarHBondContact O-N 2.83Å; N320-A323 PolarHBondContact O-N 2.89Å; N320-V324 WeakPolarHBondContact O-CG2 3.44Å; N320-V324 PolarHBondContact O-N 3.37Å
321E66.9Low63.2Low133 Ų13382.9 Ų82.962%0.62143%0.434SS*.Hα-helixtrans-61.7-39.7176.5-168.9171.6-171.800110.9I317 A318 M325I317-E321 WeakPolarHBondContact O-CB 3.33Å; I317-E321 PolarHBondContact O-N 3.48Å; A318-E321 PolarHBondContact O-N 3.48Å; E321-M325 WeakPolarHBondContact O-CB 3.37Å; E321-M325 VanDerWaalsContact O-CG 3.22Å; E321-M325 WeakPolarHBondContact O-CG 3.38Å; E321-M325 PolarHBondContact O-N 3.47Å
322T69.1Low64.5Low75 Ų7581.8 Ų81.846%0.4643%0.429SS..Hα-helixtrans-67.4-44.4174.657.20000112A318 E319 N320 V324 M325 H326A318-T322 WeakPolarHBondContact O-CG2 3.32Å; A318-T322 PolarHBondContact O-N 3.33Å; A318-T322 PolarHBondContact O-OG1 2.88Å; E319-T322 WeakPolarHBondContact CA-OG1 3.47Å; E319-T322 PolarHBondContact O-OG1 2.98Å; N320-T322 VanDerWaalsContact C-N 3.29Å; N320-T322 PolarHBondContact O-N 2.83Å; T322-V324 VanDerWaalsContact C-N 3.33Å; T322-V324 PolarHBondContact O-N 2.84Å; T322-M325 PolarHBondContact O-N 3.43Å; T322-H326 WeakPolarHBondContact O-CB 3.09Å; T322-H326 PolarHBondContact O-CD2 3.45Å; T322-H326 PolarHBondContact O-N 2.87Å
323A63.6Low65.6Low46 Ų4681.9 Ų81.938%0.3843%0.429SS..Hα-helixtrans-61-40.1177.800000112.7E319 N320 H326 L327E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 2.88Å; N320-A323 PolarHBondContact O-N 2.89Å; A323-H326 PolarHBondContact O-N 2.69Å; A323-L327 WeakPolarHBondContact O-CG 3.34Å; A323-L327 PolarHBondContact O-N 2.71Å
324V66.7Low66.9Low13 Ų1384.4 Ų84.48%0.07944%0.442CS..Hα-helixtrans-66.2-43.4175.41700000111.4T267 N320 T322 H326 L327 Q328T267-V324 HydrophobicContact CG2-CG1 3.66Å; T267-V324 HydrophobicContact CG2-CG2 4.03Å; N320-V324 WeakPolarHBondContact O-CG2 3.44Å; N320-V324 PolarHBondContact O-N 3.37Å; T322-V324 VanDerWaalsContact C-N 3.33Å; T322-V324 PolarHBondContact O-N 2.84Å; V324-H326 VanDerWaalsContact C-N 3.31Å; V324-H326 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.23Å; V324-Q328 WeakPolarHBondContact O-CB 3.43Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.48Å; V324-Q328 PolarHBondContact O-N 3.02Å
325M66.4Low68Low103 Ų10385.1 Ų85.151%0.50744%0.44SS..Hα-helixtrans-63.2-37.4174.8-73.5-63-6000112E321 T322 Q328 S329E321-M325 WeakPolarHBondContact O-CB 3.37Å; E321-M325 VanDerWaalsContact O-CG 3.22Å; E321-M325 WeakPolarHBondContact O-CG 3.38Å; E321-M325 PolarHBondContact O-N 3.47Å; T322-M325 PolarHBondContact O-N 3.43Å; M325-Q328 PolarHBondContact O-N 3.33Å; M325-S329 VanDerWaalsContact O-CB 3.32Å; M325-S329 WeakPolarHBondContact O-CB 3.48Å; M325-S329 PolarHBondContact O-N 3.05Å; M325-S329 PolarHBondContact O-OG 3.43Å
326H70.3Confident68.4Low137 Ų13782.8 Ų82.863%0.63443%0.431SS*.Hα-helixtrans-66-43.2175.3-82.8-67.1000112.4T322 A323 V324 S329 A330T322-H326 WeakPolarHBondContact O-CB 3.09Å; T322-H326 PolarHBondContact O-CD2 3.45Å; T322-H326 PolarHBondContact O-N 2.87Å; A323-H326 PolarHBondContact O-N 2.69Å; V324-H326 VanDerWaalsContact C-N 3.31Å; V324-H326 PolarHBondContact O-N 3.25Å; H326-S329 PolarHBondContact O-N 3.34Å; H326-A330 WeakPolarHBondContact O-CB 3.35Å; H326-A330 PolarHBondContact O-N 3.37Å
327L68.3Low69.2Low88 Ų8885.1 Ų85.146%0.46144%0.441SS..Hα-helixtrans-62.7-43.5174.1-76.1162.4000111.6L270 A323 V324 S329 A330 E331L270-L327 HydrophobicContact CD1-CD1 4.44Å; A323-L327 WeakPolarHBondContact O-CG 3.34Å; A323-L327 PolarHBondContact O-N 2.71Å; V324-L327 PolarHBondContact O-N 3.23Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.3Å; L327-A330 PolarHBondContact O-N 2.06Å; L327-E331 WeakPolarHBondContact O-CB 3.05Å; L327-E331 PolarHBondContact O-N 2.99Å; L327-E331 VanDerWaalsContact O-N 3.17Å
328Q67.5Low69.7Low67 Ų6786 Ų8631%0.31346%0.455SS..Hα-helixtrans-60.5-43.1175.1-78.2175.24.200112I263 V324 M325 E332I263-Q328 HydrophobicContact CD1-CG 4.49Å; I263-Q328 HydrophobicContact CG2-CG 3.47Å; I263-Q328 VanDerWaalsContact CG2-CG 3.47Å; V324-Q328 WeakPolarHBondContact O-CB 3.43Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.48Å; V324-Q328 PolarHBondContact O-N 3.02Å; M325-Q328 PolarHBondContact O-N 3.33Å; Q328-E332 WeakPolarHBondContact O-CB 3.25Å; Q328-E332 PolarHBondContact O-N 3.48Å
329S78.3Confident69.8Low59 Ų5988.2 Ų88.241%0.41346%0.457SS..Hα-helixtrans-70.1-40.8-179.9-56.50000112.4M325 H326 L327 E332 L333M325-S329 VanDerWaalsContact O-CB 3.32Å; M325-S329 WeakPolarHBondContact O-CB 3.48Å; M325-S329 PolarHBondContact O-N 3.05Å; M325-S329 PolarHBondContact O-OG 3.43Å; H326-S329 PolarHBondContact O-N 3.34Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.3Å; S329-E332 PolarHBondContact O-N 3.35Å; S329-L333 WeakPolarHBondContact O-CB 3.48Å; S329-L333 PolarHBondContact O-N 3.22Å
330A71.5Confident69.5Low63 Ų6388.6 Ų88.652%0.52146%0.458SS..Hα-helixtrans-65.1-40.118000000111.9H326 L327 L333 E334H326-A330 WeakPolarHBondContact O-CB 3.35Å; H326-A330 PolarHBondContact O-N 3.37Å; L327-A330 PolarHBondContact O-N 2.06Å; A330-L333 WeakPolarHBondContact O-CB 3.44Å; A330-L333 PolarHBondContact O-N 2.92Å; A330-E334 PolarHBondContact O-N 2.77Å
331E66.5Low69.5Low48 Ų4892.9 Ų92.922%0.22448%0.481CS..Hα-helixtrans-80.6-29.7179.2-169.9172.1174.700112.7I263 R266 L327 L333 E334 R335I263-E331 HydrophobicContact CD1-CB 4.46Å; I263-E331 HydrophobicContact CD1-CG 4.42Å; I263-E331 VanDerWaalsContact CG1-OE2 3.27Å; I263-E331 WeakPolarHBondContact CG1-OE2 3.43Å; R266-E331 IonicContact CZ-OE2 2.59Å; R266-E331 IonicContact NH1-OE2 3.23Å; R266-E331 IonicContact NH2-OE1 3.56Å; R266-E331 PolarHBondContact NH2-OE1 2.99Å; R266-E331 IonicContact NH2-OE2 3.95Å; R266-E331 PolarHBondContact NH2-OE2 3.33Å; L327-E331 WeakPolarHBondContact O-CB 3.05Å; L327-E331 PolarHBondContact O-N 2.99Å; L327-E331 VanDerWaalsContact O-N 3.17Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 PolarHBondContact O-N 3.47Å; E331-E334 PolarHBondContact O-N 3.35Å; E331-R335 WeakPolarHBondContact O-CB 3.33Å; E331-R335 PolarHBondContact O-N 3.06Å
332E77.6Confident68.8Low114 Ų11491.4 Ų91.453%0.53349%0.485SS..Hα-helixtrans-60.7-40167.6-174.3177.8-172.600110.8Q328 S329 R335 L336Q328-E332 WeakPolarHBondContact O-CB 3.25Å; Q328-E332 PolarHBondContact O-N 3.48Å; S329-E332 PolarHBondContact O-N 3.35Å; E332-R335 WeakPolarHBondContact O-CB 3.45Å; E332-R335 PolarHBondContact O-N 3.49Å; E332-L336 HydrophobicContact CG-CD1 4.37Å; E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 VanDerWaalsContact O-CG 3.28Å; E332-L336 WeakPolarHBondContact O-CG 3.28Å; E332-L336 PolarHBondContact O-N 3.46Å
333L72.3Confident68Low120 Ų12091.7 Ų91.763%0.62849%0.49SS*.Hα-helixtrans-65.6-39.7175.1-163152.1000111.6S329 A330 E331 L336 K337S329-L333 WeakPolarHBondContact O-CB 3.48Å; S329-L333 PolarHBondContact O-N 3.22Å; A330-L333 WeakPolarHBondContact O-CB 3.44Å; A330-L333 PolarHBondContact O-N 2.92Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 PolarHBondContact O-N 3.47Å; L333-L336 PolarHBondContact O-N 3.22Å; L333-K337 WeakPolarHBondContact O-CB 3.48Å; L333-K337 PolarHBondContact O-N 2.97Å
334E76.5Confident67Low133 Ų13392.5 Ų92.562%0.62150%0.503SS*.Hα-helixtrans-66.5-38.2174.1-166.2173.1-165.500112.2A330 E331 K337 A338A330-E334 PolarHBondContact O-N 2.77Å; E331-E334 PolarHBondContact O-N 3.35Å; E334-K337 WeakPolarHBondContact O-CB 3.27Å; E334-K337 PolarHBondContact O-N 3.45Å; E334-A338 PolarHBondContact O-N 2.82Å
335R79.1Confident65.9Low126 Ų12697.5 Ų97.548%0.47554%0.539SS..Hα-helixtrans-63.6-45.3174.1-166.4-165.377.675.819.8111.5E331 E332 K337 A338 E339E331-R335 WeakPolarHBondContact O-CB 3.33Å; E331-R335 PolarHBondContact O-N 3.06Å; E332-R335 WeakPolarHBondContact O-CB 3.45Å; E332-R335 PolarHBondContact O-N 3.49Å; R335-K337 VanDerWaalsContact C-N 3.32Å; R335-A338 PolarHBondContact O-N 2.99Å; R335-E339 IonicContact CZ-OE1 3.43Å; R335-E339 IonicContact CZ-OE2 3.46Å; R335-E339 VanDerWaalsContact NH1-CD 3.31Å; R335-E339 IonicContact NH1-OE1 3.61Å; R335-E339 PolarHBondContact NH1-OE1 3Å; R335-E339 IonicContact NH1-OE2 3.71Å; R335-E339 PolarHBondContact NH1-OE2 3.07Å; R335-E339 IonicContact NH2-OE1 3.48Å; R335-E339 IonicContact NH2-OE2 2.9Å; R335-E339 PolarHBondContact NH2-OE2 2.88Å; R335-E339 WeakPolarHBondContact O-CG 3.37Å; R335-E339 PolarHBondContact O-N 3.26Å; R335-E339 VanDerWaalsContact O-N 3.13Å
336L71.3Confident64.7Low85 Ų8598 Ų9845%0.44555%0.552SS.*Hα-helixtrans-63-39.7175.7-72.3170.3000111.4E332 L333 E339 E340E332-L336 HydrophobicContact CG-CD1 4.37Å; E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 VanDerWaalsContact O-CG 3.28Å; E332-L336 WeakPolarHBondContact O-CG 3.28Å; E332-L336 PolarHBondContact O-N 3.46Å; L333-L336 PolarHBondContact O-N 3.22Å; L336-E339 PolarHBondContact O-N 2.81Å; L336-E340 PolarHBondContact O-N 2.66Å
337K73.8Confident63.4Low124 Ų12495.9 Ų95.954%0.53956%0.559SS.*Hα-helixtrans-62.5-41.6175.3-170.6177.2-178.3179.20112.3L333 E334 R335 E339 E340 D341L333-K337 WeakPolarHBondContact O-CB 3.48Å; L333-K337 PolarHBondContact O-N 2.97Å; E334-K337 WeakPolarHBondContact O-CB 3.27Å; E334-K337 PolarHBondContact O-N 3.45Å; R335-K337 VanDerWaalsContact C-N 3.32Å; K337-E339 VanDerWaalsContact C-N 3.29Å; K337-E339 PolarHBondContact O-N 2.72Å; K337-E340 PolarHBondContact O-N 3.43Å; K337-D341 PolarHBondContact O-N 2.9Å
338A70.9Confident61.7Low62 Ų6297.4 Ų97.451%0.51258%0.577SS.*Hα-helixtrans-65.8-29.9175.300000113.2E334 R335 S342E334-A338 PolarHBondContact O-N 2.82Å; R335-A338 PolarHBondContact O-N 2.99Å; A338-S342 PolarHBondContact O-N 3.13Å
339E69.2Low60.2Low97 Ų97102.8 Ų102.845%0.45361%0.607SS.*Hα-helixtrans-72.6-33.9173.3-69.8179.1154.100112.1R335 L336 K337 S343R335-E339 IonicContact CZ-OE1 3.43Å; R335-E339 IonicContact CZ-OE2 3.46Å; R335-E339 VanDerWaalsContact NH1-CD 3.31Å; R335-E339 IonicContact NH1-OE1 3.61Å; R335-E339 PolarHBondContact NH1-OE1 3Å; R335-E339 IonicContact NH1-OE2 3.71Å; R335-E339 PolarHBondContact NH1-OE2 3.07Å; R335-E339 IonicContact NH2-OE1 3.48Å; R335-E339 IonicContact NH2-OE2 2.9Å; R335-E339 PolarHBondContact NH2-OE2 2.88Å; R335-E339 WeakPolarHBondContact O-CG 3.37Å; R335-E339 PolarHBondContact O-N 3.26Å; R335-E339 VanDerWaalsContact O-N 3.13Å; L336-E339 PolarHBondContact O-N 2.81Å; K337-E339 VanDerWaalsContact C-N 3.29Å; K337-E339 PolarHBondContact O-N 2.72Å; E339-S343 PolarHBondContact O-OG 2.99Å
340E59.8Low58Low140 Ų140107.2 Ų107.265%0.65463%0.626SS**Hα-helixtrans-71.8-42.7175.2-166.2176.6177.200112.3L336 K337 S342 S343 G344L336-E340 PolarHBondContact O-N 2.66Å; K337-E340 PolarHBondContact O-N 3.43Å; E340-S342 PolarHBondContact O-N 3.32Å; E340-S343 WeakPolarHBondContact CA-OG 3.48Å; E340-S343 PolarHBondContact O-N 2.96Å; E340-S343 PolarHBondContact O-OG 2.82Å; E340-S343 VanDerWaalsContact O-OG 3.13Å; E340-G344 PolarHBondContact O-N 3.34Å
341D53.5Low56.3Low118 Ų118108.7 Ų108.763%0.63163%0.632SS**Hα-helixtrans-64.1-27.3177.1-72.7-30.8000112.5K337K337-D341 PolarHBondContact O-N 2.9Å
342S53.3Low54.6Low101 Ų101112 Ų11271%0.70666%0.661SS**THydrogen-bonded Turntrans-78.6-17.6174.2-171.30000113.7A338 E340A338-S342 PolarHBondContact O-N 3.13Å; E340-S342 PolarHBondContact O-N 3.32Å
343S51.9Low52.5Low81 Ų81114.2 Ų114.257%0.56667%0.674SS**THydrogen-bonded Turntrans-105.7-12.9-177.6400000113.6E339 E340 S345E339-S343 PolarHBondContact O-OG 2.99Å; E340-S343 WeakPolarHBondContact CA-OG 3.48Å; E340-S343 PolarHBondContact O-N 2.96Å; E340-S343 PolarHBondContact O-OG 2.82Å; E340-S343 VanDerWaalsContact O-OG 3.13Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S343-S345 PolarHBondContact O-N 3.33Å
344G43Very low50.6Low63 Ų63117.1 Ų117.165%0.64969%0.685SS**G310 helixtrans-75.6-5175.300000116.5E340 S346E340-G344 PolarHBondContact O-N 3.34Å; G344-S346 VanDerWaalsContact C-N 3.32Å; G344-S346 PolarHBondContact O-N 3.44Å
345S42.7Very low48.4Very low119 Ų119115.7 Ų115.783%0.83269%0.69SS**G310 helixtrans-83.64.8-173.9-142.60000115.3S343S343-S345 VanDerWaalsContact C-N 3.33Å; S343-S345 PolarHBondContact O-N 3.33Å
346S42.2Very low46.1Very low112 Ų112118.2 Ų118.278%0.78371%0.712SS**G310 helixtrans-114.819.1-173.971.20000116.5G344G344-S346 VanDerWaalsContact C-N 3.32Å; G344-S346 PolarHBondContact O-N 3.44Å
347A42Very low43.9Very low94 Ų94117.5 Ų117.578%0.77773%0.725SS**  trans-144.679.6177.500000113.6
348S32.5Very low41.7Very low119 Ų119118.7 Ų118.783%0.83274%0.742SS**  trans-170.392.4148.5-178.50000110.4
349L36.8Very low39.6Very low181 Ų181121.3 Ų121.395%0.94876%0.755SS**  trans-103.4112.4155.9-82.5165.9000106.3
350D31.9Very low37.6Very low152 Ų152124.8 Ų124.881%0.81378%0.775SS**  -160.8134.2126.8-159.514.2000113
351S34.8Very low35.9Very low93 Ų93126 Ų12665%0.6579%0.785SS**  trans42.6111.9153.2-159.10000121.8
352S30.5Very low34.7Very low118 Ų118128.9 Ų128.983%0.82580%0.795SS**  -177.3130.3102.8-77.10000111.6
353I34.7Very low33.3Very low160 Ų160132.6 Ų132.682%0.82180%0.801SS**  trans-89.2133.2178.6-149.5160.7000108.3
354E31.7Very low32.6Very low181 Ų181133.3 Ų133.385%0.84680%0.804SS**  trans178.6126.4132.2-102.6178.1160.600113.4
355S31.8Very low31.7Very low104 Ų104139.1 Ų139.173%0.72782%0.819SS**  trans62.9107.8147.6-68.60000120.2
356L30.1Very low30.9Very low179 Ų179138.2 Ų138.294%0.93782%0.819SS**  -165.6116.396.7-91.7165.3000109.3
357G25.8Very low30.3Very low70 Ų70139 Ų13972%0.72282%0.819SS**  trans-95149-178.100000113.6
358V27.5Very low30Very low149 Ų149140.6 Ų140.690%0.90382%0.821SS**  trans-140.6125.1150.2-179.50000107.8
359C25.1Very low29.8Very low116 Ų116143.6 Ų143.678%0.78482%0.822SS**  trans-86.5143.9-164.8-520000113.6
360I27.1Very low29.4Very low171 Ų171143.3 Ų143.388%0.87782%0.816SS**  trans-112127.1157.7-60.9177000106.9
361L25.6Very low29.2Very low164 Ų164142.5 Ų142.586%0.85981%0.811SS**  trans-98125.8179.7-96157.6000110.3
362E26.7Very low28.8Very low179 Ų179144 Ų14484%0.83682%0.82SS**  trans-97.9145149.4-72.8-174.1123.700107.1
363E25.3Very low29.1Very low179 Ų179144.3 Ų144.384%0.83682%0.819SS**  174.7-171.681.2-145.3-167155.100109
364P36.9Very low29Very low96 Ų96140 Ų14062%0.62382%0.815SS**  -118.9171.6-86.234.5-16.6000114.9
365L23.7Very low28.9Very low185 Ų185139.3 Ų139.397%0.96982%0.815SS**  trans-145.6143.8156-77.3-177.3000113.7
366A26.2Very low29Very low101 Ų101140.5 Ų140.584%0.83582%0.819SS**  trans-90.2165.7-166.400000116
367V30.3Very low29.1Very low128 Ų128136.2 Ų136.278%0.77681%0.809SS**  trans-79.4162.6-174.3-162.70000113
368P34Very low29.4Very low128 Ų128139.1 Ų139.183%0.83182%0.815SS**  -134.7149.9120.614.17.7000116.2
369E30.3Very low29.6Very low182 Ų182139.7 Ų139.785%0.8581%0.812SS**  trans-67.9155.1-177.6-68.1170108.800115.8
370E26.7Very low29.7Very low175 Ų175141.4 Ų141.482%0.81881%0.812SS**  177.9128115.2-85.3-125.8138.900114.5
371L28Very low29.9Very low135 Ų135140.7 Ų140.771%0.70781%0.808SS**  trans59.3105.8149.8-73.999.4000126.1
372C26.7Very low30.1Very low125 Ų125140.9 Ų140.985%0.84581%0.805SS**  30.3157.9125.5-60.40000124
373P37.5Very low30.4Very low124 Ų124136.4 Ų136.481%0.80580%0.798SS**  cis-134.416620.239.3-20000116.8
374G32.1Very low30.6Very low70 Ų70136.7 Ų136.772%0.72280%0.8SS**  trans-76.4163.6175.600000114.2
375L30.5Very low30.5Very low165 Ų165138.5 Ų138.586%0.86480%0.804SS**  trans-173.2128138-92179.4000110
376T33Very low31.2Very low129 Ų129134.7 Ų134.779%0.79179%0.79SS**  trans-3.7120.6149.947.10000119.7
377A31.7Very low31.6Very low89 Ų89136.5 Ų136.574%0.73679%0.793SS**  trans-175.2142.4138.300000111.8
378P33Very low32.2Very low132 Ų132134.1 Ų134.186%0.85779%0.794SS**PPolyproline II helixtrans-78.7142.617731.2-31.4000112.4
379I31Very low32.2Very low161 Ų161131.8 Ų131.883%0.82678%0.781SS**PPolyproline II helixtrans-76.5122.8-179.2-64.6168.7000110
380L26.6Very low32.4Very low151 Ų151128.8 Ų128.879%0.79178%0.78SS**PPolyproline II helixtrans-88.1118.4172-165.180.2000109
381I32.5Very low32.8Very low156 Ų156125.7 Ų125.780%0.877%0.773SS**  trans-93.1107168.8-59177.6000108A383I381-A383 PolarHBondContact O-N 2.89Å
382Q28.6Very low33Very low169 Ų169126.7 Ų126.779%0.7978%0.778SS**  trans-8898.8177.3-162.31749.100109
383A33.4Very low33.1Very low84 Ų84125.8 Ų125.869%0.69477%0.772SS**  trans-104.1120.2169.100000109.5I381I381-A383 PolarHBondContact O-N 2.89Å
384Q30.9Very low32.5Very low185 Ų185129.6 Ų129.686%0.86478%0.776SS**  trans-87112.9-176.7-160.7143.71.900109.6
385L34.4Very low32.5Very low135 Ų135132.2 Ų132.271%0.70778%0.778SS**  trans-85.3147.1178-69.2167.2000111.3
386P37.2Very low32.4Very low104 Ų104133.3 Ų133.368%0.67578%0.779SS**  trans-66.1152.2176.9-16.329.6000113G388P386-G388 PolarHBondContact O-N 2.94Å
387P34.2Very low32.3Very low139 Ų139134.4 Ų134.490%0.90378%0.78SS**THydrogen-bonded Turntrans-71.8113-175.626.9-30.5000111.3
388G43.8Very low32.2Very low78 Ų78134.8 Ų134.880%0.80478%0.777SS**THydrogen-bonded Turntrans153.9-5.7172.900000117P386 S390P386-G388 PolarHBondContact O-N 2.94Å; G388-S390 PolarHBondContact O-N 3.39Å
389S34.8Very low31.9Very low79 Ų79136.3 Ų136.355%0.55278%0.778SS**  trans-85.4110.9176.352.30000111.8V391S389-V391 PolarHBondContact O-N 3.26Å
390S33.7Very low31.8Very low119 Ų119137.4 Ų137.483%0.83278%0.78SS**  trans-82.6101.316365.40000108.9G388G388-S390 PolarHBondContact O-N 3.39Å
391V34.9Very low32.6Very low111 Ų111135.1 Ų135.167%0.67377%0.774SS**  trans-91.6117.9168.2179.20000107.6S389 C393S389-V391 PolarHBondContact O-N 3.26Å; V391-C393 PolarHBondContact O-N 3.21Å
392L32Very low32.3Very low155 Ų155135.2 Ų135.281%0.81278%0.782SS**  trans-78.3112.2170.4-74.1167.5000108.5
393C28.8Very low32.3Very low106 Ų106131.3 Ų131.372%0.71678%0.779SS**PPolyproline II helixtrans-93.7121.9170.7-56.20000108.9V391V391-C393 PolarHBondContact O-N 3.21Å
394F26.3Very low32.1Very low204 Ų204133 Ų13390%0.89579%0.785SS**PPolyproline II helixtrans-81.8125.7163.7-69.7-83000108.2
395T32.1Very low31.9Very low125 Ų125128.7 Ų128.777%0.76778%0.781SS**PPolyproline II helixtrans-93.7124.8168.935.30000108.7
396E27.6Very low31.7Very low189 Ų189128.3 Ų128.388%0.88379%0.785SS**  trans-73.2115.4168.7-176.5175.813800108.3
397N30.2Very low31.4Very low152 Ų152130.6 Ų130.681%0.81379%0.791SS**  trans-103.6113.7173.5-89.312.1000109.7
398S30.1Very low31.4Very low96 Ų96129.7 Ų129.767%0.67179%0.788SS**  trans-85.2128.2156.2250000108.9
399D27.3Very low30.8Very low164 Ų164130.7 Ų130.788%0.87778%0.78SS**  trans159.5127.7135.6-78-24.2000112.3
400H29.5Very low30.8Very low185 Ų185132.3 Ų132.386%0.85679%0.791SS**  trans-98.1175.7167.3-96.7-73.4000109.5
401P41.9Very low30.6Very low102 Ų102136.5 Ų136.566%0.66279%0.79SS**  cis-129.4166.2-38.536.1-19.9000112.4
402T27.4Very low30.4Very low158 Ų158139.3 Ų139.397%0.96980%0.801SS**  trans-169.3156.1145.916.90000111.7
403A28.1Very low30.3Very low88 Ų88139.4 Ų139.473%0.72780%0.802SS**  trans-92.5161.2-15200000117.2
404S28.1Very low30.5Very low118 Ų118139.8 Ų139.883%0.82581%0.806SS**  trans80.6106.4145.8-45.30000120.2
405A27.7Very low30.5Very low95 Ų95133.4 Ų133.479%0.78580%0.798SS**  155117.9111.100000113.5
406V30.5Very low30.5Very low128 Ų128133.1 Ų133.178%0.77680%0.798SS**  trans36.1104.4138-159.70000118.8
407N29.8Very low30.6Very low151 Ų151131.7 Ų131.781%0.80780%0.796SS**  174.4123.5122.5-92.6-24.8000111.2
408S35.2Very low30.5Very low120 Ų120129.2 Ų129.284%0.83979%0.786SS**  trans-65.1138.4173.1-430000111.5
409P31.8Very low30.4Very low100 Ų100134.6 Ų134.665%0.64979%0.793SS**  trans-107119.2169.234.5-24.5000112.2Y411P409-Y411 HydrophobicContact CB-CD2 3.84Å; P409-Y411 HydrophobicContact CB-CE2 3.74Å; P409-Y411 PolarHBondContact O-N 3.05Å
410S34.3Very low30.3Very low112 Ų112136.5 Ų136.578%0.78379%0.789SS**  trans-59.4110.9156.3430000111.7
411Y28.9Very low30.2Very low207 Ų207135.1 Ų135.181%0.81278%0.783SS**  trans-140.270.8164.7-75.8-78.8000111.1P409P409-Y411 HydrophobicContact CB-CD2 3.84Å; P409-Y411 HydrophobicContact CB-CE2 3.74Å; P409-Y411 PolarHBondContact O-N 3.05Å
412L31.9Very low29.6Very low170 Ų170136.6 Ų136.689%0.8979%0.79SS**  trans-136.583.8154.4-74.5179.9000107.9
413N29.3Very low29.6Very low157 Ų157136.4 Ų136.484%0.8478%0.778SS**SBendtrans178.6127.5136.1-107.2-34.1000113.1
414S31.7Very low29.9Very low114 Ų114141.1 Ų141.180%0.79779%0.785SS**  trans65.2102.8137.9-46.50000120.2
415G26.8Very low30.1Very low71 Ų71146.8 Ų146.873%0.73279%0.789SS**  trans-172.4148.5159.800000111.2
416P32.7Very low30.3Very low119 Ų119148.1 Ų148.177%0.77379%0.789SS**  trans-80.3143-133.931.2-35.2000115.6V418P416-V418 PolarHBondContact O-N 3.4Å; P416-V418 VanDerWaalsContact O-N 3.15Å
417L30.6Very low30.4Very low159 Ų159148.5 Ų148.583%0.83279%0.792SS**  trans-7099.9172.6-148.683.9000109.5Y419L417-Y419 HydrophobicContact CD2-CD2 4.28Å; L417-Y419 HydrophobicContact CD2-CE2 4.06Å; L417-Y419 PolarHBondContact O-N 2.84Å
418V27.2Very low30.5Very low99 Ų99149.6 Ų149.660%0.680%0.797SS**  trans-85.7103.4174.8-175.10000108.6P416 Y420P416-V418 PolarHBondContact O-N 3.4Å; P416-V418 VanDerWaalsContact O-N 3.15Å; V418-Y420 HydrophobicContact CB-CE2 4.47Å; V418-Y420 HydrophobicContact CG1-CD2 4.16Å; V418-Y420 HydrophobicContact CG1-CE2 3.79Å; V418-Y420 PolarHBondContact O-N 2.95Å
419Y27.2Very low30.3Very low209 Ų209147.1 Ų147.182%0.8279%0.79SS**  trans-72.1117.8166.3-105.9-93.9000108.9L417 Q421L417-Y419 HydrophobicContact CD2-CD2 4.28Å; L417-Y419 HydrophobicContact CD2-CE2 4.06Å; L417-Y419 PolarHBondContact O-N 2.84Å; Y419-Q421 PolarHBondContact O-N 3.2Å
420Y26.6Very low30.2Very low204 Ų204149.1 Ų149.180%0.880%0.8SS**  trans-87.4106.5165.1-78.7-84.1000109.2V418V418-Y420 HydrophobicContact CB-CE2 4.47Å; V418-Y420 HydrophobicContact CG1-CD2 4.16Å; V418-Y420 HydrophobicContact CG1-CE2 3.79Å; V418-Y420 PolarHBondContact O-N 2.95Å
421Q26.1Very low29.9Very low157 Ų157153.6 Ų153.673%0.73481%0.805SS**  trans-80.4113168.6-175.5168.4-13.600108.4Y419 E423Y419-Q421 PolarHBondContact O-N 3.2Å; Q421-E423 HydrophobicContact CG-CG 4.22Å; Q421-E423 PolarHBondContact O-N 3.39Å
422V30.2Very low29.9Very low133 Ų133147 Ų14781%0.80680%0.8SS**  trans-84.495.2171.3-178.80000107.8
423E27.8Very low30Very low154 Ų154147.9 Ų147.972%0.7280%0.8SS**  trans-76.6126.7167-72-171150.400110.2Q421 R425Q421-E423 HydrophobicContact CG-CG 4.22Å; Q421-E423 PolarHBondContact O-N 3.39Å; E423-R425 PolarHBondContact O-N 3Å
424Q34.2Very low30.6Very low187 Ų187146 Ų14687%0.87480%0.796SS**  trans-78.9114.3168.5-67.7-178.2300109
425R31.2Very low30.3Very low236 Ų236143.7 Ų143.789%0.89179%0.791SS**PPolyproline II helixtrans-78.2132.8168.4-93.9-173.8-175.5138.52.7110.8E423E423-R425 PolarHBondContact O-N 3Å
426P33.3Very low30.5Very low124 Ų124146.4 Ų146.481%0.80579%0.793SS**PPolyproline II helixtrans-75134.8160.2-6.223.1000110.2
427V31.4Very low30.4Very low136 Ų136148.9 Ų148.982%0.82480%0.795SS**PPolyproline II helixtrans-82.6122.1165.71730000107.6
428L33.2Very low30.4Very low174 Ų174150.5 Ų150.591%0.91180%0.798SS**  trans-175.7132.2142.2-95.7173.1000108.8
429G29.4Very low30.4Very low68 Ų68149.4 Ų149.470%0.70181%0.807SS**  trans-97.1-178-173.300000115.5
430V29.9Very low30.4Very low141 Ų141145.2 Ų145.286%0.85581%0.808SS**  trans107.294.2160.9-171.60000116.8
431K29.2Very low30.4Very low206 Ų206139.7 Ų139.790%0.89680%0.804SS**  73.7113.4125.1-157.6177.5-175.5-178.60121.3
432G27.1Very low30.5Very low69 Ų69137.6 Ų137.671%0.71181%0.807SS**  trans137.293.2132.100000119.4
433E35.3Very low30.5Very low188 Ų188141 Ų14188%0.87981%0.811SS**  trans57.4158138.3-69.5-69.3112.600123.1
434P40.9Very low30.7Very low118 Ų118139.2 Ų139.277%0.76681%0.813SS**  trans-118.3170.6-140.943.1-33.2000116.4
435G27.2Very low30.6Very low66 Ų66140.3 Ų140.368%0.6882%0.815SS**  trans-177.4109.6159.300000110.2
436T30.1Very low30.6Very low127 Ų127138.2 Ų138.278%0.77982%0.815SS**  91.3104.386.5-58.40000112.9
437E30.9Very low30.5Very low172 Ų172141.2 Ų141.280%0.80482%0.816SS**  trans65.1130.7137.5-64.2-177.2169.200124.2
438E30.6Very low30.5Very low193 Ų193141.5 Ų141.590%0.90281%0.813SS**  trans70.1139.7140.9-72.8-161.415000122.3
439G26.8Very low30.4Very low76 Ų76141.3 Ų141.378%0.78481%0.812SS**  trans146.576154.600000116.1
440S27.8Very low30.4Very low121 Ų121145.5 Ų145.585%0.84682%0.818SS**  trans-61.7136.5159.753.30000111.8
441A26.3Very low30.3Very low88 Ų88145.1 Ų145.173%0.72782%0.815SS**  159.6142.5120.500000114.9
442S27.7Very low30.2Very low112 Ų112143.9 Ų143.978%0.78381%0.81SS**  trans65.6113.8144.865.10000121.3
443F29.4Very low30.2Very low206 Ų206146.1 Ų146.190%0.90482%0.815SS**  trans-63149.5151.2-68.5-91.1000112.2
444P32.1Very low29.9Very low116 Ų116144.4 Ų144.475%0.75381%0.811SS**  trans-105.9140.514624.9-9000111.3
445K32.2Very low29.4Very low209 Ų209144 Ų14491%0.90981%0.809SS**  trans-91.3126167-134.3179-174175.40106.2
446E32.1Very low29.5Very low193 Ų193148 Ų14890%0.90282%0.819SS**  trans-130.5140.9166.6-73.8-165.8147.500111.5
447K31Very low29.4Very low187 Ų187147.4 Ų147.481%0.81382%0.816SS**  trans-93.3157.9179.2-84.1176.9169.2-177.80109.9
448D31.2Very low29.4Very low142 Ų142144.4 Ų144.476%0.75981%0.814SS**  trans56.1100.3152.5-59.2-36.3000117.8
449L30.9Very low29.4Very low170 Ų170143.4 Ų143.489%0.8981%0.814SS**  trans-135.2122.7151.8-72.5178.5000110.6
450N28.7Very low29.5Very low155 Ų155145.8 Ų145.883%0.82981%0.813SS**  trans-42.2130.7167.7-79.7-51.9000112.3
451V28.2Very low29.6Very low133 Ų133144.5 Ų144.581%0.80681%0.809SS**  trans-100.8108.4166.8-179.60000108.2
452F26.7Very low29.6Very low180 Ų180146.6 Ų146.679%0.78982%0.817SS**  trans-66.2125.1162.2-85.1-94000109.1L454F452-L454 PolarHBondContact O-N 3.04Å
453S28.5Very low29.7Very low117 Ų117146.8 Ų146.882%0.81882%0.819SS**  trans-71.4120.9165.3-64.10000109.2
454L29.6Very low29.8Very low152 Ų152142.1 Ų142.180%0.79681%0.812SS**  trans-114.4138.2164.3-72.1176.5000109.6F452F452-L454 PolarHBondContact O-N 3.04Å
455P29.2Very low29.6Very low110 Ų110143.4 Ų143.471%0.71482%0.818SS**  trans-74.8134.7-179.130.3-32.5000110.7T457P455-T457 PolarHBondContact O-N 3.13Å
456V28.7Very low29.4Very low148 Ų148140.2 Ų140.290%0.89781%0.81SS**  trans-74.7108.8172.4176.70000108.1
457T28.6Very low29.6Very low116 Ų116137 Ų13771%0.71281%0.806SS**  trans-85.4142.2166.339.80000110.1P455P455-T457 PolarHBondContact O-N 3.13Å
458S30.7Very low29.5Very low109 Ų109134.1 Ų134.176%0.76281%0.805SS**  trans-51.1126.7178.1-175.80000112.6
459L30.4Very low29.3Very low172 Ų172131.8 Ų131.890%0.90181%0.805SS**  trans-104.4106.8168.8-74.4175.1000109.8
460V29.4Very low29.2Very low125 Ų125131.3 Ų131.376%0.75880%0.802SS**PPolyproline II helixtrans-68.1135.3171.1174.70000109.9
461A29.1Very low29.1Very low94 Ų94128.9 Ų128.978%0.77780%0.797SS**PPolyproline II helixtrans-74.8133.6173.200000111.4
462C27.9Very low29.1Very low132 Ų132132 Ų13289%0.89280%0.799SS**PPolyproline II helixtrans-98.8129.6163.9-66.50000109.8
463S29.4Very low29.2Very low116 Ų116128.2 Ų128.281%0.81180%0.795SS**PPolyproline II helixtrans-83.7163.3179.345.80000113.3
464S30.6Very low29.2Very low109 Ų109131.3 Ų131.376%0.76280%0.797SS**  trans-45.4145.7-17854.50000118.6
465T28.6Very low29.3Very low142 Ų142131 Ų13187%0.87180%0.801SS**  trans-146.3129.5141.535.10000110.9
466D27.5Very low29.2Very low142 Ų142128.9 Ų128.976%0.75980%0.799SS**  trans-133131.1155.4-140.1-13.2000105.2
467P36.4Very low29.3Very low125 Ų125132 Ų13281%0.81280%0.8SS**  -145.7137.5108.334.8-18000114.4
468T29.3Very low29.2Very low128 Ų128132.6 Ų132.679%0.78580%0.804SS**  trans-83.4126158.240.20000111.8
469A27.4Very low29.9Very low93 Ų93132.6 Ų132.677%0.76980%0.802SS**  trans-178.6131.7132.400000114.2
470L28Very low29.7Very low159 Ų159130.8 Ų130.883%0.83280%0.798SS**  trans80.4101147.3-103.280.8000122.4
471C27Very low29.7Very low105 Ų105131.6 Ų131.671%0.70980%0.797SS**  68.3123.7117.7-75.90000123.7
472K29.1Very low29.5Very low198 Ų198136.5 Ų136.586%0.86180%0.804SS**  trans79.5146151.2-62.5174.9179.7179.50116
473S28.1Very low29.6Very low101 Ų101133.7 Ų133.771%0.70679%0.791SS**  cis-173.1164.8-16.6-81.20000104.8
474E28.5Very low29.5Very low182 Ų182136.3 Ų136.385%0.8579%0.794SS**  trans98.596.3156.2-48.6-149.1112.600119.5
475V30.6Very low29.4Very low145 Ų145138.8 Ų138.888%0.87980%0.798SS**  47.9109.6114.9177.60000118.2
476G27.9Very low29.9Very low65 Ų65137.3 Ų137.367%0.6779%0.791SS**  107.9106.3110.400000117.8
477K30.8Very low29.9Very low213 Ų213138.8 Ų138.893%0.92679%0.793SS**  161.6115.2115.9-91.7168.6176.3172.60111.4
478T26.9Very low29.5Very low130 Ų130139.7 Ų139.780%0.79879%0.791SS**  trans-68.9-178.5148.1510000109.8
479P44.5Very low29.2Very low109 Ų109139.9 Ų139.971%0.70880%0.797SS**  cis-129-179.1-4.228.1-3.5000111.2
480T27.1Very low29.3Very low134 Ų134142.9 Ų142.982%0.82280%0.8SS**  -177.8140.992-600000109.7
481L28.2Very low29.8Very low141 Ų141140.3 Ų140.374%0.73879%0.793SS**  trans-88.5138.5-172.8-170.5173.6000108.7A483L481-A483 HydrophobicContact CD2-CB 4.48Å
482E26.2Very low29.8Very low197 Ų197144.8 Ų144.892%0.92180%0.803SS**  trans-150119.1142.9-120.5172.1171.500111.1
483A29.4Very low29.8Very low74 Ų74143.8 Ų143.861%0.61280%0.802SS**  trans-77.3163.4172.200000109.9L481L481-A483 HydrophobicContact CD2-CB 4.48Å
484L26.6Very low30.2Very low170 Ų170145.1 Ų145.189%0.8981%0.808SS**  trans178.1114.5131.9-89.9173.3000108.9
485L29.6Very low30.2Very low162 Ų162144.9 Ų144.985%0.84881%0.807SS**  trans-90.8160.3148.8-64176000106.9
486P38.1Very low30.1Very low111 Ų111145 Ų14572%0.72180%0.802SS**  -156.3162.57936.6-13.8000119
487E28.6Very low30Very low172 Ų172150 Ų15080%0.80481%0.808SS**  trans74116.2138.1-75.7-179129.700124.5
488D27.6Very low30Very low144 Ų144147 Ų14777%0.7780%0.802SS**  30.7126.6128.8-68.8-61000122.7
489C23.7Very low29.9Very low133 Ų133149.6 Ų149.690%0.89980%0.803SS**  176.3129.7120-89.10000111.7
490N28.1Very low29.1Very low156 Ų156155.7 Ų155.783%0.83481%0.812SS**  trans-104.2172.6156.6-143.96.7000106.2
491P39.4Very low29.3Very low105 Ų105154.6 Ų154.668%0.68281%0.807SS**  cis-134.4172.5-1.841.1-23.8000114.3
492E26.8Very low29.1Very low198 Ų198152.7 Ų152.793%0.92581%0.805SS**  trans-159.9142147-79.1-145.5124.600111.3
493E30Very low29.1Very low178 Ų178155.1 Ų155.183%0.83281%0.806SS**  trans-72.3171.8174.1-64.7-168.5135.600112.8
494P36.6Very low29.1Very low128 Ų128156.7 Ų156.783%0.83181%0.812SS**  -144173.7108.536-19.5000116.3
495E28.1Very low29.3Very low178 Ų178154.7 Ų154.783%0.83281%0.81SS**  trans-73.7163.2-160.8-58170.2116.700117.8
496N27.3Very low29.2Very low146 Ų146153.2 Ų153.278%0.78181%0.813SS**  trans-6.5139.3158.2-77.1-50.9000120.1
497E27Very low28.7Very low171 Ų171152.8 Ų152.880%0.79981%0.813SS**  trans-158.3127.8132-90.9-61.7105.700109.9
498D29.9Very low28.8Very low150 Ų150152 Ų15280%0.80281%0.813SS**  trans-69.2126.1171.2-88.9-60.3000111.8
499F25.4Very low29.1Very low185 Ų185151 Ų15181%0.81181%0.814SS**  trans-150.3114156.4-91.7-77.8000113.5
500R28.4Very low29.2Very low236 Ų236154.3 Ų154.389%0.89181%0.814SS**  trans-64.6154.2154.7-83.6-173.9-179.7-154.70.1110.2
501P29.7Very low29.2Very low112 Ų112157.1 Ų157.173%0.72781%0.813SS**  trans-126.5122136.314.16.2000112.5
502S25.3Very low28.8Very low100 Ų100158.1 Ų158.170%0.69982%0.817SS**  trans-67.3131.6154.550.20000110.3
503W26.2Very low28.8Very low249 Ų249155.1 Ų155.194%0.94381%0.807SS**  trans-114.9118161-82.9-2.5000110.1
504S29.3Very low28.9Very low106 Ų106154.3 Ų154.374%0.74181%0.809SS**PPolyproline II helixtrans-95.8150.3167.9-58.60000109.3
505P29.9Very low28.7Very low128 Ų128156.9 Ų156.983%0.83181%0.81SS**PPolyproline II helixtrans-83.3138-174.333.1-33.1000112.2
506S27.8Very low28.9Very low131 Ų131157.4 Ų157.492%0.91681%0.812SS**PPolyproline II helixtrans-82.6125.7176.4-610000111.6
507S27.6Very low28.9Very low102 Ų102153.8 Ų153.871%0.71381%0.81SS**PPolyproline II helixtrans-93131.4178.649.10000113.3
508L30.3Very low28.9Very low157 Ų157152.5 Ų152.582%0.82282%0.818SS**  trans70.2158.9138.4-66179.7000119.3
509P35.2Very low28.7Very low121 Ų121148.5 Ų148.579%0.78681%0.812SS**  cis-138.5147.723.736.6-15.5000118.6
510F25.9Very low28.9Very low203 Ų203146.3 Ų146.389%0.8981%0.814SS**PPolyproline II helixtrans-81.1136.1156.6-93.4-92.4000109.9
511R26.7Very low29Very low216 Ų216140.8 Ų140.882%0.81581%0.806SS**PPolyproline II helixtrans-102.9122.3172.7-131-163.5-170.1-123.27.6109.1D513R511-D513 IonicContact CZ-OD2 3.73Å; R511-D513 IonicContact NH1-OD2 2.77Å; R511-D513 PolarHBondContact NH1-OD2 3.35Å
512T30.9Very low29.1Very low126 Ų126144.6 Ų144.677%0.77381%0.811SS**PPolyproline II helixtrans-94.9136.116339.50000109.1
513D27.8Very low29.2Very low134 Ų134145.8 Ų145.872%0.71781%0.814SS**  trans-144.6124.1152.5-82.6-45.8000108.2R511R511-D513 IonicContact CZ-OD2 3.73Å; R511-D513 IonicContact NH1-OD2 2.77Å; R511-D513 PolarHBondContact NH1-OD2 3.35Å
514N31.6Very low29.5Very low162 Ų162138.8 Ų138.887%0.86680%0.803SS**  trans-107139.8166.9-96.3-24.2000107
515E32.3Very low29.7Very low182 Ų182141.8 Ų141.885%0.8581%0.806SS**  trans176.5110.6147.1-99.4-173.7153.700106.8
516E32.2Very low29.8Very low188 Ų188144 Ų14488%0.87981%0.805SS**  78.6121.383.6-156.9168.3166.900114.8
517G27.4Very low29.8Very low71 Ų71145.4 Ų145.473%0.73280%0.802SS**  trans116.496146.600000121.2
518C26.5Very low30Very low144 Ų144148.8 Ų148.897%0.97381%0.807SS**  66.5123.5127-139.40000123
519G27.1Very low30Very low66 Ų66148 Ų14868%0.6880%0.803SS**  124.495.3127.900000121.5
520V29.2Very low29.9Very low139 Ų139153.1 Ų153.184%0.84281%0.807SS**  75.4111.4123.2168.40000121.9
521V30.3Very low30.5Very low120 Ų120148.6 Ų148.673%0.72780%0.798SS**  trans81.7112.9130.7175.70000122
522K30.9Very low31.4Very low192 Ų192144.4 Ų144.484%0.83580%0.798SS**  -174.7112108.7-118166.5-178.5174.30114.5
523T29.1Very low31.4Very low125 Ų125147.7 Ų147.777%0.76781%0.805SS**  trans23.3130.3138.4520000122.1
524S31.5Very low31.7Very low102 Ų102148.4 Ų148.471%0.71381%0.809SS**  -174.2128.196.3-127.30000115
525Q32.8Very low31.7Very low169 Ų169146.4 Ų146.479%0.7981%0.807SS**  trans46.6111.4143.4-68.6169.4-18.700120.8
526Q31.6Very low31.7Very low175 Ų175142.6 Ų142.682%0.81880%0.801SS**  62.4106.483.9-90.2-173.6-1800115.8
527N28.2Very low31.6Very low159 Ų159140.9 Ų140.985%0.8580%0.797SS**  -175.9137.8111.4-96.8-25.3000112.6
528E33.2Very low31.9Very low174 Ų174145.8 Ų145.881%0.81380%0.801SS**  trans-57.5159.8161.2-60179.299.300109.6
529D30.4Very low32.1Very low139 Ų139147.1 Ų147.174%0.74380%0.797SS**  -179.7154.655.6-142.9-22.9000110.4
530R32.9Very low33.2Very low229 Ų229149.6 Ų149.686%0.86480%0.802SS**  trans13.1154160-126.5143.3-168-155.84.9125.2
531P38.1Very low33.5Very low108 Ų108151.3 Ų151.370%0.70181%0.805SS**PPolyproline II helixtrans-93.7165.8-169.939-29.8000114
532P44.6Very low33.8Very low128 Ų128150 Ų15083%0.83181%0.807SS**PPolyproline II helixtrans-94142.2179.434.7-29.6000113.7
533E31.3Very low34.3Very low195 Ų195151 Ų15191%0.91183%0.829SS**PPolyproline II helixtrans-82.5169.1168.1-65.6-160.7125.400113
534D34.1Very low34.5Very low149 Ų149152.4 Ų152.480%0.79783%0.832SS**  trans-33146.3175.9-122.4-33.6000118.7
535S31.7Very low34.7Very low120 Ų120155 Ų15584%0.83984%0.838SS**  trans-152.5102.4157.8-91.10000110.9
536S32.4Very low34.8Very low102 Ų102154.2 Ų154.271%0.71384%0.841SS**  trans-67145.2150-64.50000109.6
537L30.8Very low35Very low153 Ų153153 Ų15380%0.80184%0.842SS**  trans175.1122130.2-89.5174.7000111.9
538E32.6Very low35.4Very low173 Ų173152.6 Ų152.681%0.80884%0.842SS**  trans42.1131.6138.1-68.9-165131.200123.2
539L31.8Very low35.5Very low172 Ų172151.2 Ų151.290%0.90184%0.844SS**  trans-158160.6142.4-90.9-165.6000110.3
540P50Low35.9Very low119 Ų119152.1 Ų152.177%0.77385%0.851SS**  -121174.9-121.241.4-30.4000116.7
541L34.5Very low36.1Very low175 Ų175146.2 Ų146.292%0.91685%0.85SS**  trans-61.2144.1172.3-85.8156.3000115.7
542A37.9Very low36Very low93 Ų93149.3 Ų149.377%0.76986%0.863SS**  trans175.7131153.600000106.6
543V39.8Very low35.2Very low213 Ų213151.3 Ų151.3100%1.29187%0.865SS**  cis-149.8011153.70000107

Retrieved 543 of 543 residues in 160.3 ms (Link to these results)