A0A087WR45_MOUSE Loading...

Proline rich basic protein 1

AlphaFold DB , UniProt , Accession A0A087WR45, Species MOUSE (Mus musculus, Mouse), Gene Prob1, Length 1,010 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low42.7Very low238 Ų238141.7 Ų141.7100%1.17285%0.847SS**  0134.70-53.8-179.4-124.500107.5
2L38.6Very low42.5Very low157 Ų157135.7 Ų135.782%0.82284%0.836SS**  cis176.495.4-31.6-105.9170.7000104.4
3T37.9Very low42.6Very low124 Ų124139.3 Ų139.376%0.76185%0.845SS**  trans42.8135.6139.3-0.70000124
4A43.3Very low42.1Very low84 Ų84138 Ų13869%0.69485%0.845SS**  trans72.8169.2139.700000117.9
5L45.4Very low42.1Very low173 Ų173146.3 Ų146.391%0.90686%0.855SS**  cis-134.6169.95.8-85.1169.1000111.5
6A42.4Very low41.9Very low88 Ų88150.6 Ų150.673%0.72785%0.852SS**  trans-131.4147.3161.600000110.6
7P50.6Low41.8Very low127 Ų127149.8 Ų149.883%0.82584%0.844SS**  trans-104.9165178.937.7-31.8000115.1
8L41.1Very low41.7Very low175 Ų175148.3 Ų148.392%0.91684%0.842SS**  trans-81169.5-164.8-75.875.9000116
9A38.3Very low41.4Very low92 Ų92145.1 Ų145.176%0.7684%0.835SS**  trans-101.5168.4167.400000112.8
10L48Very low41.7Very low175 Ų175144.1 Ų144.192%0.91683%0.834SS**  trans-143.8155.7154.7-90179.3000110.9
11P41.6Very low41.6Very low126 Ų126142.3 Ų142.382%0.81884%0.836SS**  trans-119170.4-165.342.5-32.5000115.5
12G40.2Very low41.5Very low69 Ų69134.2 Ų134.271%0.71181%0.814SS**  trans149.5124.1149.100000116.5
13L44.2Very low41.7Very low183 Ų183137.6 Ų137.696%0.95882%0.816SS**  165.8127.1123-89.5170.4000111.1
14S35.9Very low41.9Very low121 Ų121139.2 Ų139.285%0.84682%0.815SS**  trans-112.7125176.8-51.80000110.7
15R41.7Very low41.7Very low263 Ų263142.4 Ų142.499%0.99282%0.82SS**  trans-139.1159.8160.5-90.4-164.4175.1-143.9-1.3111.7
16R38.4Very low41.6Very low214 Ų214139.4 Ų139.481%0.80881%0.814SS**  trans-148138.6-154.2168178.8-176.4-111.73.7110.4
17L40Very low41.6Very low137 Ų137141.2 Ų141.272%0.71782%0.821SS**  trans67.9162.1173-69.1164.5000115.2
18P41.1Very low41.1Very low123 Ų123138.5 Ų138.580%0.79982%0.817SS**  cis-126.4-178.99.142.8-28.1000116.6
19A34.7Very low40.9Very low87 Ų87136.3 Ų136.372%0.71982%0.816SS**  trans-124.9-165.3162.200000107.6
20P47.2Very low40.9Very low125 Ų125137.7 Ų137.781%0.81282%0.82SS**  cis-128171.3-22.840-25.6000113.5
21A40.8Very low40.3Very low107 Ų107132.9 Ų132.988%0.88481%0.813SS**  trans-161.6152.8165.100000114.2
22G40.5Very low40.2Very low69 Ų69131 Ų13171%0.71180%0.803SS**  trans93.6122.5-18000000112.5
23R43.1Very low40.2Very low228 Ų228136.4 Ų136.486%0.8680%0.803SS**  61.5134.254.6-61.7-174.1178.5-92.70.1112.1
24Q42.3Very low40.2Very low158 Ų158133.2 Ų133.274%0.73878%0.783SS**  cis-151.6168.514.9-153.2154.9-64.900112.6
25D38.1Very low40.6Very low150 Ų150133 Ų13380%0.80278%0.776SS**  trans-74141.8-172.2-45.9-96.1000115.2
26S42.9Very low40.5Very low110 Ų110124.9 Ų124.977%0.76977%0.766SS**  trans-160.9121.7157.3-78.60000107.6
27S43.3Very low40.8Very low126 Ų126120.7 Ų120.788%0.88177%0.767SS**  61.3121.177.4-60.30000112.2
28G39.1Very low40.8Very low71 Ų71117.7 Ų117.773%0.73277%0.769SS**  cis140.4157.2-0.500000112
29S38.4Very low40.6Very low129 Ų129116.8 Ų116.890%0.90277%0.765SS**  trans75.1139175.1-163.70000118.8
30S37.2Very low41.5Very low121 Ų121118.8 Ų118.885%0.84677%0.771SS**  trans-70165.7170.4-43.60000113.4
31G36.6Very low41.2Very low74 Ų74121.6 Ų121.676%0.76377%0.773SS**  trans-167.9126.7161.200000113.1
32S39.1Very low42.1Very low87 Ų87121.8 Ų121.861%0.60877%0.766SS**  trans-140.7126.2174.3590000110.8
33Y40Very low42.4Very low181 Ų181124.7 Ų124.771%0.7177%0.772SS**  trans-143.696.4-178.9-77.6-74000113.8
34H44.8Very low42.3Very low117 Ų117121.3 Ų121.354%0.54277%0.771SS.*  trans25121.1136.2-78.9-76.7000122.9R714H34-R714 VanDerWaalsContact CB-NH1 3.25Å; H34-R714 PolarHBondContact CD2-NH1 3.08Å
35T42.7Very low42.3Very low115 Ų115120.3 Ų120.371%0.70678%0.775SS**  67.1124.5114.3-47.60000120.1
36A39.7Very low42.3Very low94 Ų94116.2 Ų116.278%0.77777%0.768SS**  trans-83159.6173.400000114.5
37P45.2Very low42.5Very low126 Ų126116.1 Ų116.182%0.81877%0.765SS**  trans-132.2142161.937.7-23.3000114.9
38G40.8Very low42.6Very low74 Ų74116.8 Ų116.876%0.76376%0.759SS**  trans82.5128.1143.600000120.2
39S36.8Very low43.1Very low103 Ų103119.4 Ų119.472%0.7276%0.761SS**  trans-146.8139.4142.6-74.20000107.8
40P53.6Low43.4Very low130 Ų130120.8 Ų120.884%0.84475%0.753SS**PPolyproline II helixtrans-95.4168.3-164.937.2-36.7000115
41E40.1Very low43.6Very low183 Ų183117.9 Ų117.986%0.85574%0.742SS**PPolyproline II helixtrans-78.7135.7173176.4177-164.600111.9
42P58.9Low43.8Very low112 Ų112125.3 Ų125.373%0.72775%0.747SS**PPolyproline II helixtrans-88.7148.5168.434.9-32.2000111.9
43P47.5Very low44.1Very low130 Ų130124.5 Ų124.584%0.84475%0.753SS**  trans-87.5175.3-170.336-38.1000115.8
44D40.4Very low44.1Very low157 Ų157121 Ų12184%0.8475%0.751SS**  trans-71.9-177.1179.2-160.7-1.6000114.3
45V42.5Very low43.6Very low136 Ų136125.6 Ų125.682%0.82476%0.763SS**  trans104.9125.9174.3-176.50000115.8
46G39.6Very low43.4Very low64 Ų64126.3 Ų126.366%0.6676%0.762SS**  trans-94.6-136.6174.300000113.4
47P47Very low43.2Very low109 Ų109131.9 Ų131.971%0.70876%0.763SS**  cis-136.5-167.99.344.3-26.2000115
48D44.9Very low42.7Very low140 Ų140132.3 Ų132.375%0.74976%0.763SS**  trans57.8151.4148.9-61.2-26000121
49T49.7Very low42.5Very low125 Ų125132.7 Ų132.777%0.76776%0.759SS**  cis-153.3-174.14.230000112.5
50E43.8Very low43Very low158 Ų158134.1 Ų134.174%0.73877%0.766SS**  trans-23.8164.8172.1-59-172.796.900121.5R52E50-R52 IonicContact OE1-NH2 3.23Å; E50-R52 PolarHBondContact OE1-NH2 2.84Å
51G42.2Very low42.4Very low61 Ų61131.5 Ų131.563%0.62976%0.762SS**  cis149.3146.4-6.500000115.3
52R41.3Very low42.4Very low229 Ų229134.9 Ų134.986%0.86477%0.767SS**  trans70157.4175.7-49.4167.6-137.5-93.3-7.5114.8E50E50-R52 IonicContact OE1-NH2 3.23Å; E50-R52 PolarHBondContact OE1-NH2 2.84Å
53G43.9Very low41.6Very low70 Ų70133.2 Ų133.272%0.72277%0.771SS**  cis139.9152.2-1.800000111.5
54T41.4Very low41.2Very low109 Ų109132.2 Ų132.267%0.66977%0.773SS**  cis-168.5-177.8-2.7-51.30000107.9
55W33.1Very low41.1Very low212 Ų212128.6 Ų128.680%0.80377%0.773SS**  trans80155.3158.6-56.2126.8000118.9
56L38.5Very low41Very low130 Ų130126.5 Ų126.568%0.68177%0.77SS**  cis-156.9155.8-6.3-112.8163.6000111.9
57W35.1Very low40.9Very low212 Ų212132 Ų13280%0.80378%0.779SS**  trans10.9160.4147.4-109.6-110.3000122.5
58V35.1Very low40.4Very low134 Ų134132 Ų13281%0.81278%0.779SS**  cis-158.7147.645.5-178.60000113.4
59A37.1Very low40Very low82 Ų82132.2 Ų132.268%0.67879%0.785SS**  trans-167.4-173.5164.200000110.7
60P48.3Very low39.4Very low133 Ų133134 Ų13486%0.86479%0.789SS**  cis-135.4-175.3-17.242.9-26000115.5
61G40Very low38.9Very low75 Ų75132.2 Ų132.277%0.77379%0.794SS**  trans168.7165162.900000116.8
62R40.8Very low38.6Very low254 Ų254136 Ų13696%0.95881%0.805SS**  cis-170.7131.2-13.7-164.6-173.8-130.3-94.55.5113.8
63G42Very low38.4Very low78 Ų78130.1 Ų130.180%0.80480%0.799SS**  trans86.9164.8158.200000119.3
64A38.8Very low38.2Very low108 Ų108131.3 Ų131.389%0.89380%0.801SS**  cis-168.3146.3-18.200000113.8
65G38.6Very low38.1Very low81 Ų81135 Ų13584%0.83581%0.811SS**  trans93.8151.2165.200000117.8
66A39.7Very low38.5Very low93 Ų93132.1 Ų132.177%0.76981%0.811SS**  cis-163.8138.8-9.800000114.5
67Q37.9Very low38.3Very low178 Ų178130.9 Ų130.983%0.83281%0.814SS**  trans67.6174.3154.9-57.1-67.90.100118.2
68P37.2Very low38.6Very low110 Ų110131.9 Ų131.971%0.71482%0.817SS**  -133.6152.6-90.535.9-16.2000116.5
69V36.3Very low38.8Very low144 Ų144132.7 Ų132.787%0.87381%0.812SS**  trans-135.6145.8172.5-177.60000112.2
70L36.4Very low39.1Very low162 Ų162137 Ų13785%0.84882%0.819SS**  trans-63.7130-171.8-63.5166.7000113.6V72L70-V72 PolarHBondContact O-N 3.12Å
71S32.4Very low38.8Very low122 Ų122140.1 Ų140.185%0.85382%0.821SS**  trans-85.691.2179.5-65.30000112.5S73S71-S73 PolarHBondContact O-N 2.66Å
72V37.1Very low38.7Very low141 Ų141140.1 Ų140.186%0.85582%0.821SS**  trans-72.9114.2167.7-178.90000109.1L70 A74L70-V72 PolarHBondContact O-N 3.12Å; V72-A74 PolarHBondContact O-N 2.75Å
73S36.5Very low38.6Very low105 Ų105134.1 Ų134.173%0.73482%0.818SS**  trans-77.686.3-166.350.30000114.2S71 Q75S71-S73 PolarHBondContact O-N 2.66Å; S73-Q75 PolarHBondContact O-N 2.99Å
74A39.5Very low38.4Very low94 Ų94134.2 Ų134.278%0.77782%0.819SS**  trans-6991.6162.400000110.5V72 N76V72-A74 PolarHBondContact O-N 2.75Å; A74-N76 VanDerWaalsContact C-N 3.3Å; A74-N76 PolarHBondContact O-N 2.65Å
75Q40.5Very low38.4Very low188 Ų188134.8 Ų134.888%0.87982%0.816SS**  trans-67.685173.8-74-165.5-60.600111.5S73S73-Q75 PolarHBondContact O-N 2.99Å
76N40.8Very low38.4Very low150 Ų150134.2 Ų134.280%0.80281%0.811SS**  trans-108.5102.2167.2-156.5-16.1000108.3A74 R78A74-N76 VanDerWaalsContact C-N 3.3Å; A74-N76 PolarHBondContact O-N 2.65Å; N76-R78 PolarHBondContact O-N 3.43Å
77S34.7Very low38.2Very low105 Ų105139 Ų13973%0.73482%0.815SS**  trans-74.384.9-163.4-178.90000113.2Q79S77-Q79 PolarHBondContact O-N 2.56Å
78R40.1Very low39.1Very low233 Ų233136.6 Ų136.688%0.87982%0.815SS**  trans-72.688.1162.4-75.5-177.8170.5-118.43.5110.5N76 Q80N76-R78 PolarHBondContact O-N 3.43Å; R78-Q80 PolarHBondContact O-N 3.47Å
79Q40Very low39.5Very low151 Ų151141.8 Ų141.871%0.70682%0.82SS**  trans-8099145-70.8-177.1-17.400105.7S77S77-Q79 PolarHBondContact O-N 2.56Å
80Q42.9Very low39.8Very low173 Ų173137.4 Ų137.481%0.80880%0.804SS**  61.3113.979.3-70.8-88.5-40.600110.3R78 G82R78-Q80 PolarHBondContact O-N 3.47Å; Q80-G82 PolarHBondContact O-N 3.06Å
81H43.5Very low40.3Very low197 Ų197136.9 Ų136.991%0.91281%0.81SS**PPolyproline II helixtrans-73.9121.8-171.1-67.6-100.4000111.4
82G36.3Very low40.9Very low75 Ų75134.4 Ų134.477%0.77380%0.804SS**PPolyproline II helixtrans-89.2135.715800000110.2Q80Q80-G82 PolarHBondContact O-N 3.06Å
83S39Very low41.4Very low129 Ų129132.1 Ų132.190%0.90279%0.794SS**PPolyproline II helixtrans-77.2149.4-170.2-54.10000114.7
84G38Very low42.2Very low80 Ų80129.9 Ų129.983%0.82579%0.788SS**  trans106.486.9145.800000118.3
85S40.2Very low43.2Very low119 Ų119131.5 Ų131.583%0.83279%0.79SS**  trans-175.6125.2139.1-173.90000108.3
86G37.2Very low44.2Very low70 Ų70128.9 Ų128.972%0.72278%0.781SS**  trans-101.7135-169.700000114.2
87F35.9Very low45.3Very low193 Ų193126.5 Ų126.585%0.84677%0.774SS**  trans-136.1131.8154.9-83.3-84.4000108.5
88P56.7Low47.1Very low128 Ų128125.4 Ų125.483%0.83177%0.765SS**PPolyproline II helixtrans-72.7147179.629.9-34.2000111.7
89R45.5Very low48.7Very low219 Ų219123.8 Ų123.883%0.82676%0.758SS**PPolyproline II helixtrans-85.4125.9173.9180-178.5-69.2-151.5-2.5109.6
90G42.3Very low50.4Low52 Ų52119.7 Ų119.754%0.53675%0.745SS.*PPolyproline II helixtrans-67.4157.5178.400000114.3G92G90-G92 VanDerWaalsContact C-N 3.28Å; G90-G92 PolarHBondContact O-N 2.89Å
91P46.4Very low52.3Low150 Ų150118 Ų11897%0.97474%0.737SS**SBendtrans-7772.9-177.633.3-36.3000111.9
92G46.3Very low54.3Low71 Ų71114.1 Ų114.173%0.73272%0.723SS**  trans-141.328.7179.200000113.4G90 G94G90-G92 VanDerWaalsContact C-N 3.28Å; G90-G92 PolarHBondContact O-N 2.89Å; G92-G94 PolarHBondContact O-N 2.84Å
93S47.9Very low56.7Low92 Ų92116.4 Ų116.464%0.64371%0.708SS**  trans-8891.1-179.3-62.40000110.7
94G52.8Low59Low58 Ų58116 Ų11660%0.59869%0.693SS**PPolyproline II helixtrans-58.6164.5166.600000112.3G92 L96G92-G94 PolarHBondContact O-N 2.84Å; G94-L96 PolarHBondContact O-N 2.99Å
95P59.5Low61.6Low128 Ų128114.8 Ų114.883%0.83167%0.668SS**PPolyproline II helixtrans-56.6132.1-176.323.7-33.8000111.1
96L63.2Low63.7Low133 Ų133116 Ų11670%0.69667%0.673SS**PPolyproline II helixtrans-62.1126.8-178.3-166.179000109.2G94G94-L96 PolarHBondContact O-N 2.99Å
97P63.8Low66Low100 Ų100116.3 Ų116.365%0.64966%0.663SS**PPolyproline II helixtrans-59.4139.8-179.322.6-33000110.5R99P97-R99 PolarHBondContact O-N 3.27Å; P97-R99 VanDerWaalsContact O-N 3.15Å
98P71.4Confident68.5Low82 Ų82109.9 Ų109.953%0.53265%0.652SS.*PPolyproline II helixtrans-60.4119.9-175.122.5-32000109.9G115P98-G115 WeakPolarHBondContact CB-O 3.42Å; P98-G115 WeakPolarHBondContact CG-O 3.4Å
99R75Confident69.9Low199 Ų199109.7 Ų109.775%0.75164%0.64SS**PPolyproline II helixtrans-66128.9-178.3-68.4-176.8178.3173.91109.5P97 Q101P97-R99 PolarHBondContact O-N 3.27Å; P97-R99 VanDerWaalsContact O-N 3.15Å; R99-Q101 PolarHBondContact O-N 3.32Å
100P75.1Confident72Confident66 Ų66104.3 Ų104.343%0.42963%0.625SS.*PPolyproline II helixtrans-61.7133.6173.824.4-32.1000110.2V112 I113 F114P100-V112 HydrophobicContact CB-CG1 3.72Å; P100-I113 CarbonylContact C-O 3.4Å; P100-I113 VanDerWaalsContact CA-O 3.3Å; P100-I113 WeakPolarHBondContact CA-O 3.19Å; P100-F114 HydrophobicContact CB-CD1 3.93Å; P100-F114 HydrophobicContact CB-CE1 3.84Å; P100-F114 HydrophobicContact CB-CG 4.44Å; P100-F114 HydrophobicContact CB-CZ 4.27Å; P100-F114 HydrophobicContact CG-CE1 4.12Å
101Q82Confident74.1Confident136 Ų136105 Ų10564%0.63662%0.615SS**EExtended strand (participates in β ladder)trans-90.4134.3173.8-62.9-178.5-2.300109R99 I113R99-Q101 PolarHBondContact O-N 3.32Å; Q101-I113 HydrophobicContact CB-CB 4.39Å; Q101-I113 PolarHBondContact N-O 2.78Å; Q101-I113 PolarHBondContact O-N 2.98Å
102L85Confident76.2Confident116 Ų116101.3 Ų101.361%0.60759%0.589SS**EExtended strand (participates in β ladder)trans-98.5123.4172-64.6177.2000108.7M110 E111 V112L102-M110 HydrophobicContact CB-CG 4.4Å; L102-M110 HydrophobicContact CB-SD 3.95Å; L102-M110 HydrophobicContact CD2-CG 4.16Å; L102-E111 WeakPolarHBondContact CA-O 3.35Å; L102-V112 HydrophobicContact CD2-CB 4.18Å; L102-V112 HydrophobicContact CD2-CG1 4.03Å; L102-V112 HydrophobicContact CD2-CG2 3.68Å
103R86.7Confident77.9Confident124 Ų124100.6 Ų100.647%0.46857%0.568SS.*EExtended strand (participates in β ladder)trans-116.7138.5167.569.5172.4178.2-160-6.4110.6E111 I113R103-E111 HydrophobicContact CG-CB 3.92Å; R103-E111 IonicContact CZ-OE1 3.99Å; R103-E111 IonicContact CZ-OE2 3.42Å; R103-E111 PolarHBondContact N-O 2.91Å; R103-E111 IonicContact NE-OE1 3.59Å; R103-E111 IonicContact NE-OE2 3.39Å; R103-E111 PolarHBondContact NE-OE2 3.15Å; R103-E111 IonicContact NH2-OE1 2.66Å; R103-E111 PolarHBondContact NH2-OE1 2.93Å; R103-E111 IonicContact NH2-OE2 2.76Å; R103-E111 PolarHBondContact NH2-OE2 3.25Å; R103-E111 PolarHBondContact O-N 3.43Å; R103-I113 HydrophobicContact CG-CD1 4.22Å
104M89Confident79.4Confident121 Ų121103.2 Ų103.260%0.59657%0.568SS**EExtended strand (participates in β ladder)trans-83.4129.9167.2-152.977.572.100108.2E109 M110M104-E109 WeakPolarHBondContact CA-O 3.34Å; M104-M110 HydrophobicContact CE-CE 3.59Å; M104-M110 HydrophobicContact CE-SD 4.04Å; M104-M110 HydrophobicContact SD-CB 4.32Å; M104-M110 HydrophobicContact SD-CE 4Å; M104-M110 HydrophobicContact SD-SD 4.01Å
105L91.3Very high80.1Confident54 Ų54102.4 Ų102.428%0.28356%0.559SS.*  trans-84.7158.8172.9-66.3178.6000110.6S107 G108 E109 E111L105-S107 WeakPolarHBondContact CB-OG 3.38Å; L105-S107 PolarHBondContact O-N 3.29Å; L105-S107 VanDerWaalsContact O-N 3.08Å; L105-G108 PolarHBondContact O-N 3.42Å; L105-E109 PolarHBondContact N-O 2.91Å; L105-E111 HydrophobicContact CD1-CB 4.41Å; L105-E111 HydrophobicContact CG-CB 4.41Å
106P84.8Confident79.8Confident145 Ų145101.3 Ų101.394%0.94256%0.561SS**THydrogen-bonded Turntrans-58.7-17.4173.4-25.535.7000114.6G108P106-G108 PolarHBondContact O-N 3.43Å
107S84.9Confident79.4Confident75 Ų7596.9 Ų96.952%0.52455%0.548SS..THydrogen-bonded Turntrans-74.2-7.7171.553.60000114.3L105 E109L105-S107 WeakPolarHBondContact CB-OG 3.38Å; L105-S107 PolarHBondContact O-N 3.29Å; L105-S107 VanDerWaalsContact O-N 3.08Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 VanDerWaalsContact CB-OE2 3.3Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact OG-OE2 3.21Å
108G88.7Confident79Confident58 Ų5898.3 Ų98.360%0.59856%0.557SS**SBendtrans81.40.9-170.700000114.2L105 P106L105-G108 PolarHBondContact O-N 3.42Å; P106-G108 PolarHBondContact O-N 3.43Å
109E87Confident77.7Confident124 Ų124101.8 Ų101.858%0.57957%0.57SS**  trans-80.4151.7175.8-63.2167.6123.800111.4M104 L105 S107M104-E109 WeakPolarHBondContact CA-O 3.34Å; L105-E109 PolarHBondContact N-O 2.91Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 VanDerWaalsContact CB-OE2 3.3Å; S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact OG-OE2 3.21Å
110M89Confident75.8Confident107 Ų107101.1 Ų101.153%0.52757%0.573SS.*EExtended strand (participates in β ladder)trans-107.8116.3179.6-172.293.171.500110.3L102 M104L102-M110 HydrophobicContact CB-CG 4.4Å; L102-M110 HydrophobicContact CB-SD 3.95Å; L102-M110 HydrophobicContact CD2-CG 4.16Å; M104-M110 HydrophobicContact CE-CE 3.59Å; M104-M110 HydrophobicContact CE-SD 4.04Å; M104-M110 HydrophobicContact SD-CB 4.32Å; M104-M110 HydrophobicContact SD-CE 4Å; M104-M110 HydrophobicContact SD-SD 4.01Å
111E86.7Confident73.9Confident67 Ų67106 Ų10631%0.31360%0.596SS.*EExtended strand (participates in β ladder)trans-96.9139.5177.7-171.8-174153.700111.4L102 R103 L105 I113L102-E111 WeakPolarHBondContact CA-O 3.35Å; R103-E111 HydrophobicContact CG-CB 3.92Å; R103-E111 IonicContact CZ-OE1 3.99Å; R103-E111 IonicContact CZ-OE2 3.42Å; R103-E111 PolarHBondContact N-O 2.91Å; R103-E111 IonicContact NE-OE1 3.59Å; R103-E111 IonicContact NE-OE2 3.39Å; R103-E111 PolarHBondContact NE-OE2 3.15Å; R103-E111 IonicContact NH2-OE1 2.66Å; R103-E111 PolarHBondContact NH2-OE1 2.93Å; R103-E111 IonicContact NH2-OE2 2.76Å; R103-E111 PolarHBondContact NH2-OE2 3.25Å; R103-E111 PolarHBondContact O-N 3.43Å; L105-E111 HydrophobicContact CD1-CB 4.41Å; L105-E111 HydrophobicContact CG-CB 4.41Å; E111-I113 HydrophobicContact CG-CG1 4.47Å
112V89.3Confident71.7Confident71 Ų71109.1 Ų109.143%0.4360%0.602SS.*EExtended strand (participates in β ladder)trans-109.2101.4-179.1-165.60000109.9P100 L102 F114P100-V112 HydrophobicContact CB-CG1 3.72Å; L102-V112 HydrophobicContact CD2-CB 4.18Å; L102-V112 HydrophobicContact CD2-CG1 4.03Å; L102-V112 HydrophobicContact CD2-CG2 3.68Å; V112-F114 HydrophobicContact CB-CE2 4.24Å; V112-F114 HydrophobicContact CG1-CD2 4.33Å; V112-F114 HydrophobicContact CG1-CE2 3.69Å; V112-F114 HydrophobicContact CG1-CZ 3.92Å
113I82.8Confident69.4Low57 Ų57109 Ų10929%0.29261%0.611SS.*EExtended strand (participates in β ladder)trans-89.3112.3179.9-55.2176.3000109.4P100 Q101 R103 E111P100-I113 CarbonylContact C-O 3.4Å; P100-I113 VanDerWaalsContact CA-O 3.3Å; P100-I113 WeakPolarHBondContact CA-O 3.19Å; Q101-I113 HydrophobicContact CB-CB 4.39Å; Q101-I113 PolarHBondContact N-O 2.78Å; Q101-I113 PolarHBondContact O-N 2.98Å; R103-I113 HydrophobicContact CG-CD1 4.22Å; E111-I113 HydrophobicContact CG-CG1 4.47Å
114F80.6Confident67Low147 Ų147108.7 Ų108.765%0.64562%0.618SS**  trans-88.1116.7168.3-65.3-91000109.6P100 V112 A116P100-F114 HydrophobicContact CB-CD1 3.93Å; P100-F114 HydrophobicContact CB-CE1 3.84Å; P100-F114 HydrophobicContact CB-CG 4.44Å; P100-F114 HydrophobicContact CB-CZ 4.27Å; P100-F114 HydrophobicContact CG-CE1 4.12Å; V112-F114 HydrophobicContact CB-CE2 4.24Å; V112-F114 HydrophobicContact CG1-CD2 4.33Å; V112-F114 HydrophobicContact CG1-CE2 3.69Å; V112-F114 HydrophobicContact CG1-CZ 3.92Å; F114-A116 PolarHBondContact O-N 2.87Å
115G66.9Low64.6Low40 Ų40107.8 Ų107.841%0.41263%0.629SS.*  trans-75107.5176.300000111.4P98 G117P98-G115 WeakPolarHBondContact CB-O 3.42Å; P98-G115 WeakPolarHBondContact CG-O 3.4Å; G115-G117 PolarHBondContact O-N 3.46Å; G115-G117 VanDerWaalsContact O-N 3.11Å
116A53.4Low62.3Low106 Ų106114.3 Ų114.388%0.87666%0.659SS**  trans-7595.6171.800000110.3F114F114-A116 PolarHBondContact O-N 2.87Å
117G54.5Low60.2Low40 Ų40114.3 Ų114.341%0.41265%0.651SS.*  trans-69.9152.8168.500000111.5G115 L119G115-G117 PolarHBondContact O-N 3.46Å; G115-G117 VanDerWaalsContact O-N 3.11Å; G117-L119 PolarHBondContact O-N 3.39Å
118P54.5Low58.1Low130 Ų130116.9 Ų116.984%0.84466%0.658SS**  trans-68.4104.7179.427.4-33.8000111F120P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.96Å
119L44Very low55.7Low154 Ų154122.1 Ų122.181%0.80667%0.667SS**  trans-9537.8-178.7-70.7176.3000113.4G117G117-L119 PolarHBondContact O-N 3.39Å
120F36.1Very low53.4Low186 Ų186123.7 Ų123.782%0.81667%0.674SS**  trans-136.6113.4172.3-65.5-72.9000110.9P118P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.96Å
121N34.2Very low50.9Low168 Ų168125.7 Ų125.790%0.89868%0.682SS**  trans-171.980.6153.2-97.8-18.5000107.8
122R36.4Very low48.6Very low202 Ų202130.6 Ų130.676%0.76271%0.705SS**  trans-130.876.9165.2-169.7-178.8178.5-179.3-4.1109.3D124R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 2.75Å; R122-D124 VanDerWaalsContact NE-CG 3.3Å; R122-D124 IonicContact NE-OD1 3.49Å; R122-D124 PolarHBondContact NE-OD1 2.85Å; R122-D124 IonicContact NE-OD2 3.37Å; R122-D124 PolarHBondContact NE-OD2 2.91Å; R122-D124 VanDerWaalsContact NH2-CG 3.32Å; R122-D124 IonicContact NH2-OD1 3.89Å; R122-D124 PolarHBondContact NH2-OD1 2.8Å; R122-D124 IonicContact NH2-OD2 2.99Å; R122-D124 PolarHBondContact NH2-OD2 2.86Å; R122-D124 PolarHBondContact O-N 3.42Å
123S37.1Very low46.2Very low114 Ų114134.3 Ų134.380%0.79772%0.722SS**  trans-79.2104.3152.6-52.60000106.2
124D35.9Very low44.1Very low117 Ų117139.9 Ų139.963%0.62675%0.749SS**  trans-66144.6160.8-72.7-45.1000107.7R122R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 2.75Å; R122-D124 VanDerWaalsContact NE-CG 3.3Å; R122-D124 IonicContact NE-OD1 3.49Å; R122-D124 PolarHBondContact NE-OD1 2.85Å; R122-D124 IonicContact NE-OD2 3.37Å; R122-D124 PolarHBondContact NE-OD2 2.91Å; R122-D124 VanDerWaalsContact NH2-CG 3.32Å; R122-D124 IonicContact NH2-OD1 3.89Å; R122-D124 PolarHBondContact NH2-OD1 2.8Å; R122-D124 IonicContact NH2-OD2 2.99Å; R122-D124 PolarHBondContact NH2-OD2 2.86Å; R122-D124 PolarHBondContact O-N 3.42Å
125A39.2Very low41.8Very low101 Ų101136.9 Ų136.984%0.83575%0.751SS**  trans-95.7124.6-16300000112.8
126E42Very low40.6Very low191 Ų191140.2 Ų140.289%0.89377%0.766SS**  trans-133.8140.7159.7-68.2-167.2136.100110.5
127D40.7Very low39.7Very low146 Ų146140.8 Ų140.878%0.78176%0.758SS**  trans60.9135.4165.5-84.2-19.8000124.5
128L40.4Very low38.8Very low128 Ų128148.2 Ų148.267%0.6778%0.78SS**  trans51.4103.6144-61.1163.6000118.1
129Q38.4Very low37.6Very low168 Ų168146.8 Ų146.879%0.78577%0.772SS**  65.485.376.7-174.2179.27900112.5
130E39.3Very low36.9Very low157 Ų157144.9 Ų144.973%0.73477%0.772SS**  -169152116.8-101.5-167.9137.500113.8
131Q36.7Very low37.1Very low150 Ų150141.3 Ų141.370%0.70177%0.768SS**  trans36.5103150.2-53.4176.839.500117.7
132Q37.4Very low37.2Very low170 Ų170142.2 Ų142.279%0.79477%0.766SS**  55.1139.664.1-58.6-164.842.300116.1
133L39.2Very low37.2Very low149 Ų149140.5 Ų140.578%0.7877%0.772SS**  trans71.9136.8162.6-58.3151.2000115
134M38.4Very low37.4Very low173 Ų173140.8 Ų140.885%0.85277%0.771SS**  cis-149.8175.23.1-98.8-104.3-98.400112.4
135A33Very low37.3Very low84 Ų84138.5 Ų138.569%0.69477%0.774SS**  trans-77.6-172.6176.500000111.9
136P41.5Very low37.5Very low111 Ų111140 Ų14072%0.72178%0.776SS**  cis-146.1172.613.144.1-23.8000120.1
137T34.9Very low37.3Very low117 Ų117135.9 Ų135.972%0.71877%0.774SS**  trans-16.9140.1146.3-47.20000118.5
138F35Very low37Very low197 Ų197134.5 Ų134.586%0.86478%0.776SS**  trans-151.7164.5137.4-99.1-67000112.3
139S29.1Very low37.2Very low99 Ų99134.1 Ų134.169%0.69278%0.781SS**  trans-155.5164.8177.7-72.30000110.5
140S29.6Very low37.1Very low114 Ų114130.2 Ų130.280%0.79778%0.778SS**  trans75.2168.9171.4-53.40000115.7
141P41.1Very low37Very low112 Ų112128 Ų12873%0.72778%0.78SS**  -138.1-161-70.139.2-20.9000114.1
142Q36.7Very low37Very low186 Ų186126.9 Ų126.987%0.86978%0.783SS**  trans100.1149.2161.8-48.8-167.1-82.900119.7
143L35Very low36.7Very low167 Ų167124.2 Ų124.287%0.87478%0.783SS**  trans-93.6172.4169.8-78.897.2000109.8
144P41.3Very low36.5Very low120 Ų120122.7 Ų122.778%0.77979%0.785SS**  cis-129.3-176.611.240.6-23.1000115.5
145G35.5Very low36.2Very low68 Ų68123 Ų12370%0.70178%0.784SS**  trans-92.8-153.617100000113.3
146P41.8Very low36.3Very low134 Ų134123.9 Ų123.987%0.8778%0.783SS**  cis-132.6151.80.839.8-23.9000116
147A37.5Very low36.1Very low104 Ų104126.7 Ų126.786%0.8679%0.786SS**  trans-159127.9158.600000113.1
148S34.9Very low36Very low117 Ų117127.5 Ų127.582%0.81879%0.791SS**  trans-77.2166.1163.3-79.90000110.4
149P45Very low36.6Very low119 Ų119123.7 Ų123.777%0.77379%0.786SS**  cis-149.3173.136.343.1-22.9000119.8
150A36Very low37Very low86 Ų86126.9 Ų126.971%0.71180%0.795SS**  trans49.7137.1150.200000120.5
151S37.6Very low37.4Very low111 Ų111124.9 Ų124.978%0.77679%0.792SS**  cis-127.712920.9-62.60000110.9
152V36Very low36.9Very low126 Ų126122.4 Ų122.476%0.76479%0.787SS**  58.3103.176.6-177.80000110.9
153S31.2Very low36.9Very low114 Ų114119.7 Ų119.780%0.79779%0.789SS**  cis86.8103.731.5-166.20000115.6
154S35.1Very low37Very low117 Ų117120.8 Ų120.882%0.81878%0.781SS**  trans-159.4110.3152.152.70000111.9
155Q32.3Very low36.8Very low179 Ų179127.3 Ų127.384%0.83679%0.791SS**  trans-91.6136.4166.1-178.2-167.6-2.300108.9
156P35Very low36.8Very low103 Ų103128.2 Ų128.267%0.66979%0.791SS**  -143.7165.212938.3-25.5000111.7
157Q37.8Very low36.5Very low170 Ų170126.6 Ų126.679%0.79478%0.779SS**  cis-163.7160.4-22.2-110.7175.2-33.700105.3P159Q157-P159 WeakPolarHBondContact O-CD 3.39Å
158V33.6Very low36.5Very low134 Ų134131.8 Ų131.881%0.81278%0.778SS**  trans-76.6139168.5173.70000109.5
159P46.4Very low36.7Very low118 Ų118133.8 Ų133.877%0.76678%0.779SS**  trans-115.3141.4139.734.3-30.7000112.1Q157Q157-P159 WeakPolarHBondContact O-CD 3.39Å
160D38.5Very low36.3Very low166 Ų166137.2 Ų137.289%0.88878%0.784SS**  trans-58.8154.4169.4-177.320.3000112.3
161G37.3Very low36.3Very low71 Ų71139.8 Ų139.873%0.73279%0.785SS**  trans151.2101.2-18000000114.7
162G30.8Very low36.3Very low61 Ų61139.5 Ų139.563%0.62978%0.781SS**  trans-86.2-172.7-173.400000117.7
163S35.3Very low36.4Very low128 Ų128140.3 Ų140.390%0.89579%0.789SS**  trans66.448.4154.8-53.90000118.9
164R37.3Very low36.6Very low191 Ų191145.7 Ų145.772%0.72179%0.791SS**  trans-131.616.6-179.8-65.7-153.667.4-155-7.8119.3A166 T167R164-A166 PolarHBondContact O-N 2.93Å; R164-T167 PolarHBondContact NH2-OG1 2.51Å
165W38.2Very low36.6Very low257 Ų257148.7 Ų148.797%0.97379%0.793SS**  trans-76.337174.566.7-89.3000114.9
166A35Very low36.9Very low87 Ų87146.3 Ų146.372%0.71979%0.792SS**  trans-140.495.6168.200000108.4R164R164-A166 PolarHBondContact O-N 2.93Å
167T35.7Very low36.7Very low99 Ų99146.3 Ų146.361%0.60780%0.795SS**  trans-144.5124171.3-67.10000108R164R164-T167 PolarHBondContact NH2-OG1 2.51Å
168Y37.8Very low36.6Very low214 Ų214144.5 Ų144.584%0.83980%0.798SS**  trans-69.9155.8-177.8-72.6-103.2000110.6E170Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.42Å
169L39Very low36.8Very low159 Ų159141.9 Ų141.983%0.83279%0.79SS**  trans-68.388.5163.5-71.2171.2000108.9L171L169-L171 PolarHBondContact O-N 3Å
170E35.6Very low36.6Very low190 Ų190141.7 Ų141.789%0.88879%0.787SS**  trans-74.871.1174.7-168.2163.3-143.900109.9Y168Y168-E170 VanDerWaalsContact C-N 3.27Å; Y168-E170 PolarHBondContact O-N 3.42Å
171L37.5Very low37Very low141 Ų141139.4 Ų139.474%0.73878%0.784SS**  trans-67.2126.8175.2-73.8168.8000109.7L169L169-L171 PolarHBondContact O-N 3Å
172P37.5Very low37.7Very low105 Ų105138 Ų13868%0.68277%0.769SS**  trans-68134.6-176.826.9-34.1000110.8R174P172-R174 PolarHBondContact O-N 2.86Å
173P38.3Very low39.3Very low142 Ų142141.2 Ų141.292%0.92277%0.767SS**  trans-74.590.9-17830.1-34.8000110.7
174R33.6Very low41Very low227 Ų227142.3 Ų142.386%0.85775%0.753SS**  trans-113134.2175.6-147.3172.1-171.9172.41.7110.1P172P172-R174 PolarHBondContact O-N 2.86Å
175E36.2Very low42.8Very low181 Ų181137.9 Ų137.985%0.84674%0.741SS**SBendtrans77.2138.6179.9-49.6-152.6148.300118.1S177E175-S177 PolarHBondContact O-N 2.96Å
176P37.5Very low44.6Very low128 Ų128130.1 Ų130.183%0.83172%0.724SS**  trans-90.291.1-175.435.4-34000112.5
177S30.9Very low46.4Very low104 Ų104128.3 Ų128.373%0.72771%0.705SS**  trans-66.9127.7176.8-174.10000112.5E175 A179E175-S177 PolarHBondContact O-N 2.96Å; S177-A179 VanDerWaalsContact C-N 3.28Å; S177-A179 PolarHBondContact O-N 3.03Å
178P37.3Very low48Very low132 Ų132129 Ų12986%0.85770%0.701SS**  trans-82.560.2-172.534.7-37.4000113.3
179A36.8Very low49.4Very low78 Ų78121.1 Ų121.165%0.64568%0.675SS**  trans-114.867.4-176.900000112.6S177 S181S177-A179 VanDerWaalsContact C-N 3.28Å; S177-A179 PolarHBondContact O-N 3.03Å; A179-S181 PolarHBondContact O-N 2.91Å
180V42.9Very low50.2Low115 Ų115117.9 Ų117.970%0.69767%0.671SS**  trans-72.7108.1173178.70000109.4G182V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.04Å
181S46.8Very low51.4Low118 Ų118113.6 Ų113.683%0.82565%0.654SS**  trans-63.488175.2-52.60000111.9A179 Q183A179-S181 PolarHBondContact O-N 2.91Å; S181-Q183 PolarHBondContact O-N 2.63Å
182G52.3Low52.4Low40 Ų40114.7 Ų114.741%0.41266%0.655SS.*  trans-62.4120.9173.700000110.7V180 Y184V180-G182 VanDerWaalsContact C-N 3.34Å; V180-G182 PolarHBondContact O-N 3.04Å; G182-Y184 WeakPolarHBondContact O-CD2 3.33Å; G182-Y184 WeakPolarHBondContact O-CE2 3.38Å; G182-Y184 PolarHBondContact O-N 3.37Å
183Q63.9Low53.3Low129 Ų129118 Ų11860%0.60366%0.661SS**  trans-77.2111164.5-68.7-170.55.300107.7S181 R213S181-Q183 PolarHBondContact O-N 2.63Å; Q183-R213 HydrophobicContact CB-CB 4.09Å; Q183-R213 WeakPolarHBondContact O-CB 3.06Å; Q183-R213 PolarHBondContact O-N 2.88Å
184Y71.5Confident53.6Low152 Ų152121 Ų12160%0.59665%0.654SS**EExtended strand (participates in β ladder)trans-97.9143.4173.9-63.5-90.1000110.2G182 L210 R211 P212G182-Y184 WeakPolarHBondContact O-CD2 3.33Å; G182-Y184 WeakPolarHBondContact O-CE2 3.38Å; G182-Y184 PolarHBondContact O-N 3.37Å; Y184-L210 HydrophobicContact CD1-CB 4.2Å; Y184-R211 CarbonylContact C-O 3.59Å; Y184-R211 WeakPolarHBondContact CA-O 3.27Å; Y184-P212 HydrophobicContact CE1-CG 4.3Å
185E75.4Confident54.3Low97 Ų97116.1 Ų116.145%0.45366%0.655SS.*EExtended strand (participates in β ladder)trans-114.9129.3177.1-174160.8-171.600109.2V187 R211E185-V187 PolarHBondContact O-N 3.15Å; E185-R211 PolarHBondContact N-O 3.4Å; E185-R211 PolarHBondContact O-N 2.82Å
186C75.4Confident54.9Low94 Ų94111 Ų11164%0.63564%0.643SS**EExtended strand (participates in β ladder)trans-79.6105.8-179-62.70000110.1I208 L210C186-I208 HydrophobicContact CB-CG2 3.86Å; C186-L210 HydrophobicContact CB-CD2 4.49Å; C186-L210 WeakPolarHBondContact SG-CD2 3.16Å
187V72.4Confident55.5Low50 Ų50110.7 Ų110.730%0.30364%0.642SS.*EExtended strand (participates in β ladder)trans-101.3123.4176.7-177.90000109.2E185 V189 E209 R211E185-V187 PolarHBondContact O-N 3.15Å; V187-V189 HydrophobicContact CG1-CG2 4.42Å; V187-V189 PolarHBondContact O-N 3.01Å; V187-E209 PolarHBondContact N-O 3.45Å; V187-E209 PolarHBondContact O-N 3.44Å; V187-R211 HydrophobicContact CG2-CB 4.21Å; V187-R211 HydrophobicContact CG2-CG 4.11Å
188E70.3Confident56.2Low113 Ų113112.3 Ų112.353%0.52865%0.647SS.*EExtended strand (participates in β ladder)trans-78119.3174.1-178.2165.3-131.900110R206E188-R206 WeakPolarHBondContact OE1-CB 3.42Å; E188-R206 WeakPolarHBondContact OE1-CD 3.5Å; E188-R206 VanDerWaalsContact OE1-CG 3.27Å; E188-R206 WeakPolarHBondContact OE1-CG 3.21Å; E188-R206 IonicContact OE1-CZ 2.92Å; E188-R206 IonicContact OE1-NE 2.89Å; E188-R206 IonicContact OE1-NH1 3.19Å; E188-R206 PolarHBondContact OE1-NH1 2.67Å; E188-R206 IonicContact OE2-CZ 3.36Å; E188-R206 IonicContact OE2-NH1 2.91Å; E188-R206 PolarHBondContact OE2-NH1 2.8Å
189V66.1Low57.1Low49 Ų49116.8 Ų116.830%0.29765%0.646SS.*EExtended strand (participates in β ladder)trans-110.1122.6179.3-177.30000109.1V187 L191 Q207 E209V187-V189 HydrophobicContact CG1-CG2 4.42Å; V187-V189 PolarHBondContact O-N 3.01Å; V189-L191 PolarHBondContact O-N 2.81Å; V189-Q207 PolarHBondContact N-O 3.31Å; V189-Q207 PolarHBondContact O-N 2.98Å; V189-E209 HydrophobicContact CG2-CB 3.83Å
190A57.1Low57.7Low90 Ų90118.1 Ų118.174%0.74465%0.649SS**  trans-75.1118.717300000109.9E192A190-E192 PolarHBondContact O-N 2.85Å
191L60.4Low58Low101 Ų101124.4 Ų124.453%0.52966%0.66SS.*  trans-71.4109.5167.2-86.5166.9000109.2V189 E193 Q207V189-L191 PolarHBondContact O-N 2.81Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 2.92Å; L191-Q207 HydrophobicContact CD1-CB 4.3Å
192E57.5Low58.3Low163 Ų163124.9 Ų124.976%0.76266%0.658SS**  trans-75.883.3175.8-165.8-173.3163.600110.4A190 R194A190-E192 PolarHBondContact O-N 2.85Å; E192-R194 PolarHBondContact O-N 3.08Å
193E56.8Low58.4Low175 Ų175128.9 Ų128.982%0.81867%0.674SS**  trans-6995.6177.1-171.1172.1-160.400110.6L191 S195L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 2.92Å; E193-S195 PolarHBondContact O-N 3.46Å
194R46Very low57.9Low205 Ų205127.7 Ų127.777%0.77468%0.677SS**  trans-63.1119.4-176.4-71.3-176.4173.8179.6-1.6112.5E192E192-R194 PolarHBondContact O-N 3.08Å
195S46.8Very low57.6Low125 Ų125129 Ų12987%0.87469%0.686SS**SBendtrans50.967.5153.959.60000116.7E193E193-S195 PolarHBondContact O-N 3.46Å
196A49.6Very low57.1Low73 Ų73132.7 Ų132.760%0.60370%0.696SS**  trans-124.6144.3164.900000111.2
197P49.9Very low57Low122 Ų122133.2 Ų133.279%0.79269%0.689SS**  trans-72.3135.6-171.627.1-34.2000113.6R199P197-R199 PolarHBondContact O-N 3.15Å
198V45.1Very low57.1Low137 Ų137136.4 Ų136.483%0.8370%0.703SS**  trans-40.8109.9-174.2-175.90000114.3
199R56.4Low57.3Low226 Ų226134.4 Ų134.485%0.85369%0.694SS**  trans-110.7106.3166.3-76.2-174.8173.3-178.8-0.6110.8P197 R201P197-R199 PolarHBondContact O-N 3.15Å; R199-R201 PolarHBondContact O-N 3.49Å; R199-R201 VanDerWaalsContact O-N 3.07Å
200P48.6Very low57.8Low107 Ų107137.1 Ų137.170%0.69571%0.706SS**THydrogen-bonded Turntrans-81.990.3-175.231.9-34.4000112
201R50.7Low58.7Low247 Ų247138.4 Ų138.493%0.93269%0.692SS**THydrogen-bonded Turntrans-174.8-17.8154.6-105.6146.3-171.6142.41.6117.4R199R199-R201 PolarHBondContact O-N 3.49Å; R199-R201 VanDerWaalsContact O-N 3.07Å
202T52.6Low59.4Low128 Ų128138.3 Ų138.379%0.78570%0.697SS**PPolyproline II helixtrans-80.3138.5-176.6-45.30000111.8
203V55Low60.2Low124 Ų124137.3 Ų137.375%0.75269%0.686SS**PPolyproline II helixtrans-71.9130.9172.2178.40000109.1K205V203-K205 PolarHBondContact O-N 3.33Å
204P52.7Low60.3Low103 Ų103134.2 Ų134.267%0.66968%0.682SS**PPolyproline II helixtrans-57.5130.9178.1-26.535.3000112.3R206P204-R206 PolarHBondContact O-N 3.07Å
205K64.6Low60.9Low180 Ų180134.9 Ų134.978%0.78368%0.684SS**  trans-7985.9-175.3-163.5-179.6-176.6-173.50110.6V203V203-K205 PolarHBondContact O-N 3.33Å
206R66.2Low61Low174 Ų174133.8 Ų133.866%0.65768%0.677SS**  trans-65.1139.2172-70.7154.3169.6-107.5-1.4110.3E188 P204E188-R206 WeakPolarHBondContact OE1-CB 3.42Å; E188-R206 WeakPolarHBondContact OE1-CD 3.5Å; E188-R206 VanDerWaalsContact OE1-CG 3.27Å; E188-R206 WeakPolarHBondContact OE1-CG 3.21Å; E188-R206 IonicContact OE1-CZ 2.92Å; E188-R206 IonicContact OE1-NE 2.89Å; E188-R206 IonicContact OE1-NH1 3.19Å; E188-R206 PolarHBondContact OE1-NH1 2.67Å; E188-R206 IonicContact OE2-CZ 3.36Å; E188-R206 IonicContact OE2-NH1 2.91Å; E188-R206 PolarHBondContact OE2-NH1 2.8Å; P204-R206 PolarHBondContact O-N 3.07Å
207Q72.4Confident60.8Low106 Ų106136 Ų13650%0.49568%0.684SS.*EExtended strand (participates in β ladder)trans-117.2138174.5-177.8168.5-33.800109.5V189 L191V189-Q207 PolarHBondContact N-O 3.31Å; V189-Q207 PolarHBondContact O-N 2.98Å; L191-Q207 HydrophobicContact CD1-CB 4.3Å
208I74Confident60.5Low116 Ų116134.9 Ų134.960%0.59568%0.68SS**EExtended strand (participates in β ladder)trans-101.7127.7174.3-57.6174.4000107.5C186C186-I208 HydrophobicContact CB-CG2 3.86Å
209E76.1Confident60.4Low72 Ų72135.7 Ų135.734%0.33668%0.675SS.*EExtended strand (participates in β ladder)trans-105.3129.2173.2-163.4-167.413500109.1V187 V189 R211V187-E209 PolarHBondContact N-O 3.45Å; V187-E209 PolarHBondContact O-N 3.44Å; V189-E209 HydrophobicContact CG2-CB 3.83Å; E209-R211 HydrophobicContact CG-CG 4.29Å; E209-R211 PolarHBondContact O-N 2.8Å; E209-R211 VanDerWaalsContact OE1-CG 3.31Å; E209-R211 WeakPolarHBondContact OE1-CG 3.41Å; E209-R211 IonicContact OE1-CZ 3.49Å; E209-R211 IonicContact OE1-NE 2.73Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.39Å; E209-R211 PolarHBondContact OE1-NH2 3.3Å; E209-R211 IonicContact OE2-CZ 3.44Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 3.34Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 3.11Å
210L75.9Confident59.5Low105 Ų105131.8 Ų131.855%0.5567%0.671SS.*EExtended strand (participates in β ladder)trans-88.595.7175.1-68.6-179.8000109.6Y184 C186Y184-L210 HydrophobicContact CD1-CB 4.2Å; C186-L210 HydrophobicContact CB-CD2 4.49Å; C186-L210 WeakPolarHBondContact SG-CD2 3.16Å
211R76.5Confident59.1Low117 Ų117131.7 Ų131.744%0.44267%0.673SS.*EExtended strand (participates in β ladder)trans-87.1136.4179.1-69.2-164173164.18.2111.1Y184 E185 V187 E209 R213Y184-R211 CarbonylContact C-O 3.59Å; Y184-R211 WeakPolarHBondContact CA-O 3.27Å; E185-R211 PolarHBondContact N-O 3.4Å; E185-R211 PolarHBondContact O-N 2.82Å; V187-R211 HydrophobicContact CG2-CB 4.21Å; V187-R211 HydrophobicContact CG2-CG 4.11Å; E209-R211 HydrophobicContact CG-CG 4.29Å; E209-R211 PolarHBondContact O-N 2.8Å; E209-R211 VanDerWaalsContact OE1-CG 3.31Å; E209-R211 WeakPolarHBondContact OE1-CG 3.41Å; E209-R211 IonicContact OE1-CZ 3.49Å; E209-R211 IonicContact OE1-NE 2.73Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.39Å; E209-R211 PolarHBondContact OE1-NH2 3.3Å; E209-R211 IonicContact OE2-CZ 3.44Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 3.34Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 3.11Å; R211-R213 PolarHBondContact O-N 2.89Å
212P74.7Confident58.3Low99 Ų99132.4 Ų132.464%0.64368%0.675SS**EExtended strand (participates in β ladder)trans-60.6125.8170.3-20.832.5000109.9Y184Y184-P212 HydrophobicContact CE1-CG 4.3Å
213R73.3Confident57.9Low142 Ų142129.8 Ų129.854%0.53667%0.666SS.*PPolyproline II helixtrans-65127.9179.3-164.9179.7-159.9-1724.7109.5Q183 R211 R215Q183-R213 HydrophobicContact CB-CB 4.09Å; Q183-R213 WeakPolarHBondContact O-CB 3.06Å; Q183-R213 PolarHBondContact O-N 2.88Å; R211-R213 PolarHBondContact O-N 2.89Å; R213-R215 PolarHBondContact O-N 2.84Å
214P60.4Low57.4Low111 Ų111130.2 Ų130.272%0.72167%0.672SS**PPolyproline II helixtrans-61.2126.6-179.924.4-33.3000109.9S216P214-S216 PolarHBondContact O-N 2.76Å
215R58.1Low56.7Low218 Ų218134.3 Ų134.382%0.82367%0.674SS**PPolyproline II helixtrans-63.9125173.7-73.7-178.7174.5168.7-1.6108.5R213R213-R215 PolarHBondContact O-N 2.84Å
216S48.9Very low55.6Low103 Ų103131.2 Ų131.272%0.7267%0.672SS**PPolyproline II helixtrans-54.1141.3166.151.30000109.8P214 S218P214-S216 PolarHBondContact O-N 2.76Å; S216-S218 PolarHBondContact O-N 2.74Å
217P45.8Very low54.3Low118 Ų118133.5 Ų133.577%0.76668%0.681SS**PPolyproline II helixtrans-57.4137.2-173.223.1-34.1000111.9Q219P217-Q219 PolarHBondContact O-N 2.63Å
218S43.4Very low52.7Low100 Ų100137 Ų13770%0.69970%0.702SS**PPolyproline II helixtrans-56.8121.3177.5-56.30000110.6S216 D220S216-S218 PolarHBondContact O-N 2.74Å; S218-D220 PolarHBondContact O-N 2.78Å
219Q43.2Very low51.1Low153 Ų153137.1 Ų137.172%0.71570%0.703SS**  trans-79.278.7167.2-82.9-170.9-43.400109.9P217 S221P217-Q219 PolarHBondContact O-N 2.63Å; Q219-S221 PolarHBondContact O-N 2.69Å
220D36.5Very low49.6Very low145 Ų145142.1 Ų142.178%0.77573%0.732SS**  trans-70.390.5169.3-73.8-51.9000110.5S218S218-D220 PolarHBondContact O-N 2.78Å
221S40.8Very low48.2Very low105 Ų105147.6 Ų147.673%0.73475%0.745SS**  trans-171.5104.6151.421.30000114.1Q219 A223Q219-S221 PolarHBondContact O-N 2.69Å; S221-A223 PolarHBondContact O-N 3.03Å; S221-A223 VanDerWaalsContact O-N 3.1Å
222R34Very low46.7Very low262 Ų262148.4 Ų148.499%0.98976%0.763SS**  48.949.2127.4-148.4-177.2-165.6-167.54.3118.9
223A44Very low45.5Very low72 Ų72144.9 Ų144.960%0.59575%0.745SS**  trans-143.5138.2157.700000110.8S221 R225S221-A223 PolarHBondContact O-N 3.03Å; S221-A223 VanDerWaalsContact O-N 3.1Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 2.88Å
224P44.3Very low45Very low134 Ų134141.4 Ų141.487%0.8774%0.742SS**  trans-72.788.5175.530.7-33.6000109.4
225R38.8Very low45.6Very low188 Ų188142.1 Ų142.171%0.70974%0.739SS**PPolyproline II helixtrans-57.4124.2172.8-71.7-174.8173.7178.3-1.7108.3A223 R227A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 2.88Å; R225-R227 PolarHBondContact O-N 3.23Å
226P41.2Very low46.7Very low115 Ų115137.4 Ų137.475%0.74773%0.73SS**PPolyproline II helixtrans-60135.4177.325.7-33.4000108.3L228P226-L228 PolarHBondContact O-N 3.08Å; P226-L228 VanDerWaalsContact O-N 3.17Å
227R38.2Very low47.9Very low222 Ų222136.9 Ų136.984%0.83872%0.716SS**PPolyproline II helixtrans-53.9125.9171.9-73.5177.4170.4160.1-4.4107.8R225 L229R225-R227 PolarHBondContact O-N 3.23Å; R227-L229 HydrophobicContact CB-CG 4.15Å; R227-L229 PolarHBondContact O-N 2.74Å
228L39.8Very low49.4Very low180 Ų180134.2 Ų134.294%0.94270%0.7SS**  trans-72.157.4164.3-73.9173.2000110.2P226P226-L228 PolarHBondContact O-N 3.08Å; P226-L228 VanDerWaalsContact O-N 3.17Å
229L39.3Very low51.4Low118 Ų118133.5 Ų133.562%0.61869%0.688SS**  trans-53.4146.1141.6-62.1173.1000106.7R227 R231R227-L229 HydrophobicContact CB-CG 4.15Å; R227-L229 PolarHBondContact O-N 2.74Å; L229-R231 HydrophobicContact CB-CB 4.33Å; L229-R231 PolarHBondContact O-N 2.93Å
230L45.2Very low53.1Low178 Ų178129.7 Ų129.793%0.93268%0.679SS**  trans-70.463.6156.5-76.2161.7000108.2T232L230-T232 PolarHBondContact O-N 3.06Å
231R45.3Very low55.4Low220 Ų220129.1 Ų129.183%0.8367%0.666SS**  trans-66.5107171.6-159.6178.6-161.5-176.24.8104.8L229 G233L229-R231 HydrophobicContact CB-CB 4.33Å; L229-R231 PolarHBondContact O-N 2.93Å; R231-G233 VanDerWaalsContact C-N 3.33Å; R231-G233 PolarHBondContact O-N 3.31Å
232T45.9Very low57.7Low134 Ų134130 Ų13082%0.82266%0.661SS**  trans-55.9101.8170.1480000107.2L230L230-T232 PolarHBondContact O-N 3.06Å
233G50.2Low60.4Low25 Ų25123.9 Ų123.926%0.25864%0.644SS.*  trans-53.4153.6162.100000108.7R231 E237R231-G233 VanDerWaalsContact C-N 3.33Å; R231-G233 PolarHBondContact O-N 3.31Å; G233-E237 WeakPolarHBondContact CA-OE2 3.22Å
234S61.3Low62.5Low68 Ų68123.1 Ų123.148%0.47664%0.638SS.*  trans-54.5158.4179.863.50000110.6D236 E237 S238S234-D236 PolarHBondContact O-N 3.43Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-S238 PolarHBondContact O-N 2.9Å
235L74.2Confident64.7Low127 Ų127119 Ų11967%0.66561%0.614SS**Hα-helixtrans-52.9-42.1178.3-161.7156.6000109.7E237 S238 L239L235-E237 PolarHBondContact O-N 3.1Å; L235-S238 CarbonylContact O-C 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 PolarHBondContact O-OG 3.5Å; L235-L239 HydrophobicContact CD2-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 PolarHBondContact O-N 3Å
236D79.5Confident67.2Low118 Ų118112 Ų11263%0.63160%0.597SS**Hα-helixtrans-58.8-42.6172.6-51.8-37.8000114.1S234 S238 L239 S240S234-D236 PolarHBondContact O-N 3.43Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.12Å; D236-L239 PolarHBondContact O-N 3.08Å; D236-S240 WeakPolarHBondContact O-CB 3.07Å; D236-S240 PolarHBondContact O-N 3.25Å
237E75.1Confident69.6Low93 Ų93107.8 Ų107.844%0.43558%0.575SS.*Hα-helixtrans-71.1-29.6178.8-151.4-155167.600111.3G233 S234 L235 R241G233-E237 WeakPolarHBondContact CA-OE2 3.22Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact OG-N 3.18Å; L235-E237 PolarHBondContact O-N 3.1Å; E237-R241 VanDerWaalsContact CD-CZ 3.42Å; E237-R241 WeakPolarHBondContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-R241 PolarHBondContact O-NE 3.41Å; E237-R241 VanDerWaalsContact O-NE 3.12Å; E237-R241 PolarHBondContact O-NH2 3.03Å; E237-R241 IonicContact OE1-CZ 2.76Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.19Å; E237-R241 IonicContact OE1-NH2 3.18Å; E237-R241 PolarHBondContact OE1-NH2 2.84Å; E237-R241 IonicContact OE2-CZ 3.15Å; E237-R241 IonicContact OE2-NH1 2.69Å; E237-R241 IonicContact OE2-NH2 2.74Å; E237-R241 PolarHBondContact OE2-NH2 3.13Å
238S77.1Confident72.1Confident61 Ų61102.9 Ų102.943%0.42756%0.564SS.*Hα-helixtrans-72.9-38170.382.20000112.2S234 L235 D236 R241 L242S234-S238 PolarHBondContact O-N 2.9Å; L235-S238 CarbonylContact O-C 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 PolarHBondContact O-OG 3.5Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.12Å; S238-R241 PolarHBondContact O-N 2.86Å; S238-L242 WeakPolarHBondContact O-CB 3.48Å; S238-L242 PolarHBondContact O-N 3.38Å
239L85.2Confident74.6Confident86 Ų8698.5 Ų98.545%0.4555%0.545SS..Hα-helixtrans-72.3-40.8179.8-168.3156.4000111L235 D236 L242 Q243L235-L239 HydrophobicContact CD2-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 PolarHBondContact O-N 3Å; D236-L239 PolarHBondContact O-N 3.08Å; L239-L242 CarbonylContact O-C 3.57Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 3.05Å; L239-Q243 WeakPolarHBondContact O-CB 3.36Å; L239-Q243 PolarHBondContact O-N 3.42Å
240S80.2Confident76.9Confident73 Ų7399.3 Ų99.351%0.5155%0.545SS..Hα-helixtrans-62.5-43.2172179.30000111.7D236 L242 Q243 A244D236-S240 WeakPolarHBondContact O-CB 3.07Å; D236-S240 PolarHBondContact O-N 3.25Å; S240-L242 VanDerWaalsContact C-N 3.35Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-Q243 PolarHBondContact O-N 2.79Å; S240-A244 WeakPolarHBondContact O-CB 3.33Å; S240-A244 PolarHBondContact O-N 3.34Å
241R83.9Confident78.8Confident133 Ų13394.8 Ų94.850%0.50253%0.525SS..Hα-helixtrans-61.5-40.1170.7-82.4-177.4-80.1-105.90.5112.6E237 S238 A245E237-R241 VanDerWaalsContact CD-CZ 3.42Å; E237-R241 WeakPolarHBondContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.3Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-R241 PolarHBondContact O-NE 3.41Å; E237-R241 VanDerWaalsContact O-NE 3.12Å; E237-R241 PolarHBondContact O-NH2 3.03Å; E237-R241 IonicContact OE1-CZ 2.76Å; E237-R241 IonicContact OE1-NH1 2.78Å; E237-R241 PolarHBondContact OE1-NH1 3.19Å; E237-R241 IonicContact OE1-NH2 3.18Å; E237-R241 PolarHBondContact OE1-NH2 2.84Å; E237-R241 IonicContact OE2-CZ 3.15Å; E237-R241 IonicContact OE2-NH1 2.69Å; E237-R241 IonicContact OE2-NH2 2.74Å; E237-R241 PolarHBondContact OE2-NH2 3.13Å; S238-R241 PolarHBondContact O-N 2.86Å; R241-A245 WeakPolarHBondContact O-CB 3.3Å; R241-A245 PolarHBondContact O-N 3.45Å
242L89.5Confident80.6Confident123 Ų12386.7 Ų86.764%0.64451%0.505SS*.Hα-helixtrans-67.1-39.2175.9-17861.5000112S238 L239 S240 A245 A246S238-L242 WeakPolarHBondContact O-CB 3.48Å; S238-L242 PolarHBondContact O-N 3.38Å; L239-L242 CarbonylContact O-C 3.57Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 3.05Å; S240-L242 VanDerWaalsContact C-N 3.35Å; S240-L242 PolarHBondContact O-N 2.92Å; L242-A245 PolarHBondContact O-N 2.89Å; L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å
243Q90.9Very high82.6Confident134 Ų13484.6 Ų84.663%0.62649%0.489SS*.Hα-helixtrans-68.7-39.4176.8-174.8172.5-7.800111.5L239 S240 A246 G247L239-Q243 WeakPolarHBondContact O-CB 3.36Å; L239-Q243 PolarHBondContact O-N 3.42Å; S240-Q243 PolarHBondContact O-N 2.79Å; Q243-A246 PolarHBondContact O-N 3.41Å; Q243-G247 PolarHBondContact O-N 2.98Å
244A87Confident84Confident56 Ų5686.3 Ų86.346%0.46350%0.5SS..Hα-helixtrans-63.1-44.2171.100000111.7S240 G247 I248S240-A244 WeakPolarHBondContact O-CB 3.33Å; S240-A244 PolarHBondContact O-N 3.34Å; A244-G247 PolarHBondContact O-N 3.12Å; A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.25Å
245A90.1Very high84.9Confident46 Ų4693.2 Ų93.238%0.3852%0.516SS..Hα-helixtrans-63.1-41174.500000112.2R241 L242 I248 V249R241-A245 WeakPolarHBondContact O-CB 3.3Å; R241-A245 PolarHBondContact O-N 3.45Å; L242-A245 PolarHBondContact O-N 2.89Å; A245-I248 PolarHBondContact O-N 3.21Å; A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.88Å
246A91.8Very high85Confident42 Ų4295.5 Ų95.535%0.34752%0.52SS..Hα-helixtrans-62.5-42173.500000111.6L242 Q243 I248 V249 Q250L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å; Q243-A246 PolarHBondContact O-N 3.41Å; A246-I248 PolarHBondContact O-N 3.44Å; A246-V249 PolarHBondContact O-N 2.92Å; A246-Q250 VanDerWaalsContact O-CB 3.31Å; A246-Q250 WeakPolarHBondContact O-CB 3.3Å; A246-Q250 VanDerWaalsContact O-CG 3.28Å; A246-Q250 WeakPolarHBondContact O-CG 3.38Å; A246-Q250 PolarHBondContact O-N 2.91Å
247G91.6Very high84.9Confident27 Ų2796.4 Ų96.428%0.27852%0.524SS..Hα-helixtrans-62.6-37173.800000113.4Q243 A244 T251Q243-G247 PolarHBondContact O-N 2.98Å; A244-G247 PolarHBondContact O-N 3.12Å; G247-T251 WeakPolarHBondContact O-CB 3.27Å; G247-T251 WeakPolarHBondContact O-CG2 3.47Å; G247-T251 PolarHBondContact O-N 3.19Å; G247-T251 PolarHBondContact O-OG1 3.33Å
248I90.8Very high84Confident118 Ų11893.8 Ų93.861%0.60552%0.523SS*.Hα-helixtrans-66.4-43172.6-68.1164000110.9A244 A245 A246 T251 A252A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.25Å; A245-I248 PolarHBondContact O-N 3.21Å; A246-I248 PolarHBondContact O-N 3.44Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-OG1 2.93Å; I248-A252 VanDerWaalsContact O-CB 3.23Å; I248-A252 WeakPolarHBondContact O-CB 3.48Å; I248-A252 PolarHBondContact O-N 2.8Å
249V93.2Very high82.4Confident89 Ų8996.7 Ų96.754%0.53954%0.543SS..Hα-helixtrans-67.5-40.7176.4173.10000111.5A245 A246 A252 L253A245-V249 WeakPolarHBondContact O-CG2 3.41Å; A245-V249 PolarHBondContact O-N 2.88Å; A246-V249 PolarHBondContact O-N 2.92Å; V249-A252 PolarHBondContact O-N 3.5Å; V249-L253 HydrophobicContact CG1-CD1 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.49Å; V249-L253 PolarHBondContact O-N 2.88Å
250Q87.4Confident80.3Confident135 Ų13597 Ų9763%0.63156%0.558SS**Hα-helixtrans-65.5-42.9176-77.1176-5.600111.8A246 L253 A254A246-Q250 VanDerWaalsContact O-CB 3.31Å; A246-Q250 WeakPolarHBondContact O-CB 3.3Å; A246-Q250 VanDerWaalsContact O-CG 3.28Å; A246-Q250 WeakPolarHBondContact O-CG 3.38Å; A246-Q250 PolarHBondContact O-N 2.91Å; Q250-L253 PolarHBondContact O-N 3.1Å; Q250-A254 VanDerWaalsContact O-CB 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 3.2Å
251T84.3Confident78.5Confident82 Ų8299.3 Ų99.350%0.50357%0.569SS.*Hα-helixtrans-70.5-33.5175.350.20000112.2G247 I248 A254 R255G247-T251 WeakPolarHBondContact O-CB 3.27Å; G247-T251 WeakPolarHBondContact O-CG2 3.47Å; G247-T251 PolarHBondContact O-N 3.19Å; G247-T251 PolarHBondContact O-OG1 3.33Å; I248-T251 WeakPolarHBondContact CA-OG1 3.49Å; I248-T251 PolarHBondContact O-OG1 2.93Å; T251-A254 PolarHBondContact O-N 3.28Å; T251-R255 VanDerWaalsContact O-CB 3.32Å; T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 VanDerWaalsContact O-CG 3.27Å; T251-R255 WeakPolarHBondContact O-CG 3.45Å; T251-R255 PolarHBondContact O-N 3.34Å
252A84.2Confident76.6Confident51 Ų5198.8 Ų98.842%0.42158%0.582SS.*Hα-helixtrans-66.4-36170.500000112.6I248 V249 K256I248-A252 VanDerWaalsContact O-CB 3.23Å; I248-A252 WeakPolarHBondContact O-CB 3.48Å; I248-A252 PolarHBondContact O-N 2.8Å; V249-A252 PolarHBondContact O-N 3.5Å; A252-K256 WeakPolarHBondContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CG 3.49Å; A252-K256 PolarHBondContact O-N 2.8Å
253L86.2Confident74.1Confident90 Ų9097.1 Ų97.147%0.47159%0.586SS.*Hα-helixtrans-69.9-45.8171.3-94.9164.9000111.8V249 Q250 R255 K256 L257V249-L253 HydrophobicContact CG1-CD1 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.49Å; V249-L253 PolarHBondContact O-N 2.88Å; Q250-L253 PolarHBondContact O-N 3.1Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 2.93Å; L253-K256 CarbonylContact O-C 3.54Å; L253-K256 WeakPolarHBondContact O-CA 3.19Å; L253-K256 WeakPolarHBondContact O-CB 3.43Å; L253-K256 PolarHBondContact O-N 3.22Å; L253-L257 HydrophobicContact CD2-CD1 4.1Å; L253-L257 HydrophobicContact CD2-CG 4.41Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.9Å
254A80.7Confident71.8Confident60 Ų6096.3 Ų96.350%0.49659%0.593SS.*Hα-helixtrans-61.4-35.1176.500000111.7Q250 T251 K256 G258Q250-A254 VanDerWaalsContact O-CB 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 3.2Å; T251-A254 PolarHBondContact O-N 3.28Å; A254-K256 VanDerWaalsContact C-N 3.31Å; A254-K256 PolarHBondContact O-N 2.81Å; A254-G258 WeakPolarHBondContact O-CA 3.27Å; A254-G258 PolarHBondContact O-N 2.86Å
255R79.2Confident69.2Low214 Ų21498.7 Ų98.781%0.80861%0.606SS**Hα-helixtrans-76.8-10.4171.2-70.7179.667.3-175.71.8114.6T251 L253T251-R255 VanDerWaalsContact O-CB 3.32Å; T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 VanDerWaalsContact O-CG 3.27Å; T251-R255 WeakPolarHBondContact O-CG 3.45Å; T251-R255 PolarHBondContact O-N 3.34Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 2.93Å
256K78.1Confident66.5Low175 Ų175104 Ų10476%0.76163%0.628SS**Hα-helixtrans-99.1-25.9173-84.9-179.2167.9-66.80113.6A252 L253 A254A252-K256 WeakPolarHBondContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CG 3.49Å; A252-K256 PolarHBondContact O-N 2.8Å; L253-K256 CarbonylContact O-C 3.54Å; L253-K256 WeakPolarHBondContact O-CA 3.19Å; L253-K256 WeakPolarHBondContact O-CB 3.43Å; L253-K256 PolarHBondContact O-N 3.22Å; A254-K256 VanDerWaalsContact C-N 3.31Å; A254-K256 PolarHBondContact O-N 2.81Å
257L77.2Confident64.1Low136 Ų136108.2 Ų108.271%0.71265%0.649SS**Hα-helixtrans-100.4-41.4-179.9-62.7174.7000111.4L253 S259L253-L257 HydrophobicContact CD2-CD1 4.1Å; L253-L257 HydrophobicContact CD2-CG 4.41Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.9Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.87Å
258G55.7Low61.2Low39 Ų39111.8 Ų111.840%0.40267%0.666SS.*  trans-75.574.9171.600000111.4A254 A260A254-G258 WeakPolarHBondContact O-CA 3.27Å; A254-G258 PolarHBondContact O-N 2.86Å; G258-A260 PolarHBondContact O-N 2.69Å
259S42.5Very low58.5Low122 Ų122114.1 Ų114.185%0.85367%0.672SS**  trans-73.247.3176.5-175.30000113L257L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.87Å
260A41.5Very low55.7Low93 Ų93118.8 Ų118.877%0.76969%0.685SS**  trans-159.166.3-178.800000112.3G258G258-A260 PolarHBondContact O-N 2.69Å
261V43.8Very low53.3Low121 Ų121117.9 Ų117.973%0.73369%0.693SS**  trans-134.9129.4169.1-1780000108.2
262P42.4Very low50.8Low121 Ų121120 Ų12079%0.78671%0.706SS**  trans-68.8154-169.727.2-35.5000113.4
263A38.2Very low48.6Very low88 Ų88122.2 Ų122.273%0.72773%0.725SS**  trans-68.8135176.300000111.1S265A263-S265 PolarHBondContact O-N 3.2Å; A263-S265 VanDerWaalsContact O-N 3.08Å
264P42Very low46.2Very low117 Ų117126 Ų12676%0.7674%0.738SS**  trans-72104.3177.828.8-33.6000110.4N266P264-N266 VanDerWaalsContact C-N 3.3Å; P264-N266 PolarHBondContact O-N 2.81Å
265S31.9Very low44.3Very low107 Ų107127.5 Ų127.575%0.74874%0.742SS**  trans-76.772.6-177.258.30000112.5A263 V267A263-S265 PolarHBondContact O-N 3.2Å; A263-S265 VanDerWaalsContact O-N 3.08Å; S265-V267 PolarHBondContact O-N 3.47Å
266N33.7Very low42.2Very low156 Ų156124.5 Ų124.583%0.83474%0.737SS**  trans-74.666169.6-78.2-11000111.2P264P264-N266 VanDerWaalsContact C-N 3.3Å; P264-N266 PolarHBondContact O-N 2.81Å
267V40.7Very low40.1Very low132 Ų132120.9 Ų120.980%0.873%0.734SS**  trans-10398.1167-178.60000108.1S265S265-V267 PolarHBondContact O-N 3.47Å
268T31.7Very low38.2Very low102 Ų102120 Ų12063%0.62674%0.735SS**  trans-67.9157.2167.8-48.80000110.1
269F34.8Very low37Very low166 Ų166123.3 Ų123.373%0.72875%0.747SS**  trans101.578.3167.1-56.4-70.4000119.6
270K33.7Very low36.5Very low188 Ų188124.8 Ų124.882%0.81775%0.745SS**  72.8145.3122.9-69.4179.9178.1-176.50120.6
271S36.8Very low36.1Very low115 Ų115125.3 Ų125.380%0.80474%0.744SS**  trans77.4135.2163.8-156.30000116.2
272T31.9Very low35.7Very low126 Ų126127.1 Ų127.177%0.77374%0.744SS**  cis-173.6158.9-28.6-97.10000105.5
273A37Very low35.3Very low99 Ų99128.2 Ų128.282%0.81874%0.739SS**  trans82.4122.5173.900000118.3
274K35.9Very low35.1Very low169 Ų169129.7 Ų129.774%0.73574%0.739SS**  trans-107.7166.8164.2162.4-173.4169165.90105.3E276K274-E276 WeakPolarHBondContact CE-OE1 3.34Å; K274-E276 IonicContact NZ-OE1 2.73Å; K274-E276 PolarHBondContact NZ-OE1 3.18Å
275P42.1Very low34.9Very low91 Ų91129.2 Ų129.259%0.59173%0.734SS**  cis-133.3174.514.112.116.4000118.7
276E34.4Very low35.1Very low151 Ų151131.1 Ų131.171%0.70674%0.736SS**  trans45161.1133.9-58.4134.6-156.100120.1K274K274-E276 WeakPolarHBondContact CE-OE1 3.34Å; K274-E276 IonicContact NZ-OE1 2.73Å; K274-E276 PolarHBondContact NZ-OE1 3.18Å
277S34.8Very low35.4Very low99 Ų99129.1 Ų129.169%0.69273%0.734SS**  cis-157.5161.322.556.50000114.4
278T36.9Very low35.6Very low118 Ų118128.1 Ų128.172%0.72473%0.728SS**  trans57.1111.8143.452.10000125.1
279T30.9Very low36Very low109 Ų109134.4 Ų134.467%0.66974%0.74SS**  77.2106.8105.1-49.70000123.2
280N32.3Very low36.1Very low152 Ų152132 Ų13281%0.81374%0.739SS**  trans77.4165.6136.5-62.23.8000124.3
281S32Very low36.4Very low105 Ų105129.9 Ų129.973%0.73474%0.736SS**  trans74.4116.8175.7-73.20000117.6
282Q34.9Very low36.7Very low158 Ų158130.9 Ų130.974%0.73873%0.732SS**  87.1101.752-172.5175.514.200109.7
283E35.1Very low37.2Very low144 Ų144133.4 Ų133.467%0.67374%0.735SS**  118.5167.769-174.4-177.7-176.900107.2
284T33Very low37.3Very low119 Ų119135 Ų13573%0.7373%0.725SS**  trans64.4144.5167.734.70000117.9
285T37.4Very low37.4Very low107 Ų107129.4 Ų129.466%0.65671%0.71SS**  cis-162.9171.6-21.40.70000111.5
286D38Very low37.2Very low148 Ų148129.4 Ų129.479%0.79170%0.701SS**  trans75.9146142.8-68.6-33000125.1
287S38.6Very low37.2Very low113 Ų113127.5 Ų127.579%0.7970%0.704SS**  trans91.1138.1145.7-154.30000120
288T45.5Very low37.1Very low111 Ų111133.9 Ų133.968%0.68171%0.713SS**  cis177.8161.4-38.7-101.60000109.6
289R39.1Very low37.1Very low234 Ų234133.3 Ų133.388%0.88371%0.711SS**  trans76145.7168-82.5161.3-169.3-158.71.4117
290V38.3Very low37.6Very low115 Ų115133.4 Ų133.470%0.69771%0.714SS**  cis-162.2145.3-2.397.40000114
291L40.2Very low37.5Very low144 Ų144138.2 Ų138.275%0.75472%0.72SS**  trans43.8149.4151.1-61.1165.3000123.1
292L42.5Very low37.6Very low137 Ų137137.1 Ų137.172%0.71772%0.718SS**  cis-129.5-116.2-3.3-159.319.9000111.9
293E42.2Very low37.6Very low178 Ų178137.8 Ų137.883%0.83272%0.721SS**  cis-157.1-170.6-5.8-152.5138-93.400112.9
294E39.4Very low37.6Very low134 Ų134137.1 Ų137.163%0.62672%0.722SS**  trans-123.3173.5-165.3-85.7-130.8104.500115.3K296E294-K296 WeakPolarHBondContact OE1-CE 3.32Å; E294-K296 IonicContact OE1-NZ 3.12Å; E294-K296 PolarHBondContact OE1-NZ 2.76Å; E294-K296 IonicContact OE2-NZ 2.66Å; E294-K296 PolarHBondContact OE2-NZ 3.19Å
295A37.1Very low37.5Very low50 Ų50139.7 Ų139.741%0.41373%0.731SS.*  cis175174.2-39.300000113
296K39.1Very low37.4Very low91 Ų91139.9 Ų139.940%0.39674%0.737SS.*  trans76.1162.2158.5-71127.4175.6-176.80119.9E294 S431 S432E294-K296 WeakPolarHBondContact OE1-CE 3.32Å; E294-K296 IonicContact OE1-NZ 3.12Å; E294-K296 PolarHBondContact OE1-NZ 2.76Å; E294-K296 IonicContact OE2-NZ 2.66Å; E294-K296 PolarHBondContact OE2-NZ 3.19Å; K296-S431 WeakPolarHBondContact CD-OG 3.19Å; K296-S432 PolarHBondContact NZ-OG 2.91Å
297S33.7Very low37.5Very low111 Ų111138.6 Ų138.678%0.77674%0.739SS**  trans-158.4-151.4-157.662.80000112.2
298R33.6Very low37.5Very low234 Ų234139 Ų13988%0.88374%0.742SS**  trans84.8169.3169.9-98.5-165.3166.4-169.7-0.8116.8
299P37.4Very low37.1Very low105 Ų105138.4 Ų138.468%0.68275%0.749SS**  -135-140.3-79.935.2-9.8000113
300P40Very low37.3Very low111 Ų111138.3 Ų138.372%0.72175%0.748SS**  -121.1176.1-8837.9-20.8000113.9
301R31.6Very low37.8Very low253 Ų253138.6 Ų138.696%0.95575%0.75SS**  trans-155.9154.9147.5-110.8162.3-163.9174.15.2110.8
302A32.5Very low38.5Very low82 Ų82137.4 Ų137.468%0.67875%0.751SS**  trans-104.7160.5-17400000111.9
303H34.9Very low39.7Very low173 Ų173141.2 Ų141.280%0.80176%0.756SS**  trans-152.4164.8150.7-102.8-47.2000111
304D35.9Very low41.2Very low129 Ų129138.3 Ų138.369%0.6975%0.753SS**  trans-103.3139.6-138.7-55-88.7000114.3
305N30.3Very low42.6Very low173 Ų173143 Ų14393%0.92576%0.764SS**  trans-103.993.8173.1-79.8-83.1000110.3
306S35.2Very low44.6Very low112 Ų112142.4 Ų142.478%0.78376%0.757SS**  trans-135.285.2174.448.50000112
307S40Very low46.4Very low121 Ų121140.6 Ų140.685%0.84676%0.756SS**  trans-116.8118.7160.758.20000109.7
308S39.1Very low48.4Very low120 Ų120142 Ų14284%0.83975%0.754SS**  trans-66.7146.4-165.2-174.70000113.5R310S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.28Å
309A37.7Very low50.6Low100 Ų100140.1 Ų140.183%0.82675%0.746SS**  trans-66.282.3-178.100000111.9V311A309-V311 PolarHBondContact O-N 2.81Å
310R43.5Very low52.5Low231 Ų231139 Ų13987%0.87273%0.732SS**  trans-64.6122.4-171.8-146.1171.7-164.1172.37.5111.1S308S308-R310 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.28Å
311V47.9Very low54.4Low121 Ų121139.7 Ų139.773%0.73372%0.72SS**  trans-39.5132.7-178.7178.80000111.9A309 R313A309-V311 PolarHBondContact O-N 2.81Å; V311-R313 PolarHBondContact O-N 3.37Å
312P54.8Low56.5Low119 Ų119130 Ų13077%0.77369%0.694SS**PPolyproline II helixtrans-57.5116-179.623.2-34.2000110.4
313R68.7Low58.3Low217 Ų217129.7 Ų129.782%0.81968%0.68SS**PPolyproline II helixtrans-55.5138.4-178.2-72.8-170.4-176.5-129.96.8110.3V311V311-R313 PolarHBondContact O-N 3.37Å
314P72.8Confident59.9Low118 Ų118129.9 Ų129.977%0.76667%0.674SS**PPolyproline II helixtrans-58.1146.1173.325.5-34.1000110.6
315W68.2Low61.3Low231 Ų231133.2 Ų133.288%0.87568%0.677SS**PPolyproline II helixtrans-58.6129-177.7-74.585.2000110.9S317W315-S317 PolarHBondContact O-N 3.24Å
316P79.8Confident62.9Low39 Ų39131.7 Ų131.725%0.25367%0.669SS.*PPolyproline II helixtrans-53.3139.8-178-29.235.4000112.7E320 R321P316-E320 HydrophobicContact CB-CB 4.07Å; P316-R321 HydrophobicContact CB-CG 4.3Å; P316-R321 VanDerWaalsContact O-CZ 3.25Å; P316-R321 PolarHBondContact O-NE 2.78Å; P316-R321 PolarHBondContact O-NH2 2.76Å
317S77.8Confident64.2Low53 Ų53133.8 Ų133.837%0.37166%0.664SS.*PPolyproline II helixtrans-56.8161.8179.962.80000112W315 R319 E320 R321W315-S317 PolarHBondContact O-N 3.24Å; S317-R319 PolarHBondContact O-N 3.34Å; S317-E320 VanDerWaalsContact CB-OE2 3.3Å; S317-E320 WeakPolarHBondContact CB-OE2 3.44Å; S317-E320 PolarHBondContact N-OE2 3.13Å; S317-E320 PolarHBondContact O-N 3.48Å; S317-E320 WeakPolarHBondContact OG-CB 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.29Å; S317-E320 WeakPolarHBondContact OG-CG 3.28Å; S317-E320 PolarHBondContact OG-N 3.07Å; S317-E320 VanDerWaalsContact OG-N 3.07Å; S317-E320 PolarHBondContact OG-OE2 2.93Å; S317-R321 PolarHBondContact O-N 2.78Å; S317-R321 PolarHBondContact O-NE 3.23Å
318L75.9Confident65.2Low140 Ų140132.6 Ų132.673%0.73365%0.653SS**Hα-helixtrans-59.6-34.6174.3-111.5169.5000111.4R321 A322L318-R321 PolarHBondContact O-N 2.8Å; L318-A322 PolarHBondContact O-N 2.91Å; L318-A322 VanDerWaalsContact O-N 3.1Å
319R79.8Confident66.1Low195 Ų195129.9 Ų129.974%0.73664%0.638SS**Hα-helixtrans-67-46.1176-169.4173.8-175.1-1071.4112.4S317 R321 A322 I323S317-R319 PolarHBondContact O-N 3.34Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.23Å; R319-A322 WeakPolarHBondContact O-CB 3.31Å; R319-A322 PolarHBondContact O-N 2.85Å; R319-I323 HydrophobicContact CG-CD1 4.02Å; R319-I323 WeakPolarHBondContact O-CG1 3.41Å; R319-I323 PolarHBondContact O-N 3.37Å
320E76.6Confident67Low80 Ų80131.7 Ų131.737%0.37464%0.641SS.*Hα-helixtrans-62.8-35.9173.2-74.416592.300112.5P316 S317 A322 I323 R324P316-E320 HydrophobicContact CB-CB 4.07Å; S317-E320 VanDerWaalsContact CB-OE2 3.3Å; S317-E320 WeakPolarHBondContact CB-OE2 3.44Å; S317-E320 PolarHBondContact N-OE2 3.13Å; S317-E320 PolarHBondContact O-N 3.48Å; S317-E320 WeakPolarHBondContact OG-CB 3.49Å; S317-E320 VanDerWaalsContact OG-CG 3.29Å; S317-E320 WeakPolarHBondContact OG-CG 3.28Å; S317-E320 PolarHBondContact OG-N 3.07Å; S317-E320 VanDerWaalsContact OG-N 3.07Å; S317-E320 PolarHBondContact OG-OE2 2.93Å; E320-A322 VanDerWaalsContact C-N 3.26Å; E320-A322 PolarHBondContact O-N 3.13Å; E320-I323 PolarHBondContact O-N 2.97Å; E320-R324 VanDerWaalsContact O-CB 3.27Å; E320-R324 WeakPolarHBondContact O-CB 3.41Å; E320-R324 VanDerWaalsContact O-CG 3.3Å; E320-R324 WeakPolarHBondContact O-CG 3.38Å; E320-R324 PolarHBondContact O-N 2.96Å
321R79.5Confident67.7Low127 Ų127124.9 Ų124.948%0.47964%0.643SS.*Hα-helixtrans-71.1-18.4176.3-79.4-178.7-84.1164.8-10113.9P316 S317 L318 R319P316-R321 HydrophobicContact CB-CG 4.3Å; P316-R321 VanDerWaalsContact O-CZ 3.25Å; P316-R321 PolarHBondContact O-NE 2.78Å; P316-R321 PolarHBondContact O-NH2 2.76Å; S317-R321 PolarHBondContact O-N 2.78Å; S317-R321 PolarHBondContact O-NE 3.23Å; L318-R321 PolarHBondContact O-N 2.8Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.23Å
322A74.9Confident67.9Low49 Ų49123.7 Ų123.741%0.40564%0.636SS.*Hα-helixtrans-78.1-55.5164.400000110.4L318 R319 E320 R324 R325L318-A322 PolarHBondContact O-N 2.91Å; L318-A322 VanDerWaalsContact O-N 3.1Å; R319-A322 WeakPolarHBondContact O-CB 3.31Å; R319-A322 PolarHBondContact O-N 2.85Å; E320-A322 VanDerWaalsContact C-N 3.26Å; E320-A322 PolarHBondContact O-N 3.13Å; A322-R324 PolarHBondContact O-N 3.39Å; A322-R324 VanDerWaalsContact O-N 3.13Å; A322-R325 WeakPolarHBondContact O-CB 3.49Å; A322-R325 PolarHBondContact O-N 3.19Å
323I71.3Confident67.9Low76 Ų76126.2 Ų126.239%0.3964%0.637SS.*Hα-helixtrans-58.1-33.1-177.5-63.3163.9000112.6R319 E320 R325R319-I323 HydrophobicContact CG-CD1 4.02Å; R319-I323 WeakPolarHBondContact O-CG1 3.41Å; R319-I323 PolarHBondContact O-N 3.37Å; E320-I323 PolarHBondContact O-N 2.97Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.57Å
324R68.5Low67.4Low176 Ų176121 Ų12166%0.66463%0.632SS**THydrogen-bonded Turntrans-77.81.3175.2-71.5-178.2178.3-150.60.6114.8E320 A322E320-R324 VanDerWaalsContact O-CB 3.27Å; E320-R324 WeakPolarHBondContact O-CB 3.41Å; E320-R324 VanDerWaalsContact O-CG 3.3Å; E320-R324 WeakPolarHBondContact O-CG 3.38Å; E320-R324 PolarHBondContact O-N 2.96Å; A322-R324 PolarHBondContact O-N 3.39Å; A322-R324 VanDerWaalsContact O-N 3.13Å
325R64.4Low66.3Low200 Ų200123.4 Ų123.476%0.75564%0.637SS**THydrogen-bonded Turntrans-98-29.2169.8-76.2173.4156.1171.4-11.1112.7A322 I323 K327A322-R325 WeakPolarHBondContact O-CB 3.49Å; A322-R325 PolarHBondContact O-N 3.19Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.57Å; R325-K327 VanDerWaalsContact C-N 3.32Å
326D64.1Low65.3Low140 Ų140115 Ų11575%0.74962%0.622SS**SBendtrans-90.13.6180-55-33.6000113
327K63.6Low63.9Low156 Ų156118.8 Ų118.868%0.67865%0.647SS**SBendtrans-104.6118.8171.8-71.6-163.7173.6-161.10110.8R325R325-K327 VanDerWaalsContact C-N 3.32Å
328P59.5Low62.2Low97 Ų97123 Ų12363%0.6367%0.67SS**PPolyproline II helixtrans-64.3163.8168.328.8-34000110.9
329A58Low60.5Low63 Ų63120.5 Ų120.552%0.52167%0.665SS.*PPolyproline II helixtrans-68140.4178.200000110.9G331 T332A329-G331 PolarHBondContact O-N 2.86Å; A329-T332 PolarHBondContact O-N 3.44Å
330P56.8Low58.4Low137 Ų137117.4 Ų117.489%0.8967%0.672SS**THydrogen-bonded Turntrans-56.4131.3169.1-21.833.2000110.1
331G58.5Low56.7Low88 Ų88118.2 Ų118.291%0.90769%0.687SS**THydrogen-bonded Turntrans94.85.7-177.100000115.8A329A329-G331 PolarHBondContact O-N 2.86Å
332T53.1Low55.1Low96 Ų96119.1 Ų119.159%0.58970%0.7SS**  trans-112.3112.5164.3-23.10000110A329A329-T332 PolarHBondContact O-N 3.44Å
333E55.2Low53.5Low172 Ų172126.4 Ų126.480%0.80472%0.723SS**  trans-68.4132.1-178.9-171.4175.6-146.300111.2L335E333-L335 PolarHBondContact O-N 3.03Å
334P57.3Low52.1Low108 Ų108130.6 Ų130.670%0.70175%0.745SS**  trans-78.6105.9-179.930.5-33.2000111.2G336P334-G336 PolarHBondContact O-N 2.98Å
335L50.5Low50.6Low169 Ų169131.1 Ų131.189%0.88576%0.755SS**  trans-65.676.6172.9-80.4171.2000113E333E333-L335 PolarHBondContact O-N 3.03Å
336G46.9Very low49.7Very low54 Ų54126.3 Ų126.356%0.55775%0.752SS**  trans75151.1161.900000116.7P334 V338P334-G336 PolarHBondContact O-N 2.98Å; G336-V338 PolarHBondContact O-N 2.86Å; G336-V338 VanDerWaalsContact O-N 3.1Å
337P50.1Low48.4Very low119 Ų119128.9 Ų128.977%0.77376%0.759SS**  trans-72.3102.7168.930-32.1000109.5S339P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 PolarHBondContact O-OG 3.47Å
338V42.3Very low47.4Very low141 Ų141130.2 Ų130.286%0.85577%0.768SS**  trans-7083.6167.2-1780000108.1G336 S340G336-V338 PolarHBondContact O-N 2.86Å; G336-V338 VanDerWaalsContact O-N 3.1Å; V338-S340 PolarHBondContact O-N 3.5Å; V338-S340 VanDerWaalsContact O-N 3.16Å
339S40Very low46.4Very low88 Ų88134.3 Ų134.362%0.61578%0.776SS**  trans-63112.7-170-65.60000112P337 S341P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 PolarHBondContact O-OG 3.47Å; S339-S341 PolarHBondContact O-N 3.12Å
340S35.6Very low45.7Very low129 Ų129137.2 Ų137.290%0.90279%0.789SS**  trans-74.364.3166.252.90000110.3V338V338-S340 PolarHBondContact O-N 3.5Å; V338-S340 VanDerWaalsContact O-N 3.16Å
341S41.3Very low44.8Very low97 Ų97138.2 Ų138.268%0.67878%0.782SS**  trans-134.478.1-178-169.80000110.8S339S339-S341 PolarHBondContact O-N 3.12Å
342I44.7Very low43.7Very low146 Ų146142.8 Ų142.875%0.74978%0.78SS**  trans-139.8141.6157.426.5174.4000105.9
343F41.4Very low42.9Very low203 Ų203142.3 Ų142.389%0.8979%0.786SS**SBendtrans70.566.4-163.6-43.2-69.7000115.3
344L41.4Very low42.1Very low164 Ų164144.6 Ų144.686%0.85979%0.789SS**  trans-177.988.3134.5-99.5161.1000111.7
345Q38.5Very low41.3Very low187 Ų187147 Ų14787%0.87479%0.788SS**  trans-132100.4148.6-72.8-176.5-48.900104.6
346S44.7Very low40.9Very low98 Ų98148.6 Ų148.669%0.68579%0.791SS**  64.381.97577.60000111.3
347E37.7Very low40.6Very low194 Ų194152.4 Ų152.491%0.90779%0.794SS**  trans-46.9128.5151.6171.2177.4-144.800110.6
348E42Very low40Very low184 Ų184151 Ų15186%0.8679%0.788SS**  trans177.1142.6144.5-174.5151.7-144.700110.5
349K38.9Very low39.9Very low183 Ų183153.4 Ų153.480%0.79679%0.787SS**  trans-99.4143.2165.6-80.5178.9175.9174.40107.7
350P42.9Very low40Very low124 Ų124154.7 Ų154.781%0.80579%0.791SS**  -147.8-17294.438.8-21.5000115.8
351H37.6Very low40.2Very low159 Ų159157.2 Ų157.274%0.73679%0.788SS**  trans-78.5153.9-166.6-61.2-94.5000115.8
352Q34.8Very low39.8Very low183 Ų183162.3 Ų162.386%0.85580%0.798SS**  61.4110.9126.7-178.5-179.3-0.100120.2
353A37Very low39.8Very low87 Ų87160.3 Ų160.372%0.71980%0.795SS**  179.7130.8113.600000112.7
354Y39.4Very low39.8Very low219 Ų219160.9 Ų160.986%0.85979%0.791SS**  trans171.691.3138.8-111.7-86.9000106.9
355K40.3Very low39.8Very low160 Ų160160 Ų16070%0.69678%0.783SS**  60.7101.393-85.2-155.5171.7-156.10114.7E357K355-E357 WeakPolarHBondContact CD-OE1 3.27Å; K355-E357 VanDerWaalsContact CE-OE1 3.22Å; K355-E357 WeakPolarHBondContact CE-OE1 3.28Å; K355-E357 IonicContact NZ-OE1 2.83Å; K355-E357 PolarHBondContact NZ-OE1 3.21Å
356Q42.1Very low40Very low201 Ų201157.2 Ų157.294%0.93978%0.778SS**  trans-131.7143.8135.3-164.91677.500108.3
357E39.8Very low40.3Very low134 Ų134158.1 Ų158.163%0.62678%0.782SS**  trans-117157.4-166.3-72.2170176.700109.5K355K355-E357 WeakPolarHBondContact CD-OE1 3.27Å; K355-E357 VanDerWaalsContact CE-OE1 3.22Å; K355-E357 WeakPolarHBondContact CE-OE1 3.28Å; K355-E357 IonicContact NZ-OE1 2.83Å; K355-E357 PolarHBondContact NZ-OE1 3.21Å
358S38.3Very low40.4Very low91 Ų91156.7 Ų156.764%0.63678%0.781SS**  cis-169.4169.1-10.855.20000110.7
359K40.6Very low40.4Very low191 Ų191158.2 Ų158.283%0.8378%0.779SS**  trans69.8151.2168.9-55.1171.6178.9172.40115
360T40.5Very low40.7Very low114 Ų114155.5 Ų155.570%0.69978%0.777SS**  cis-148.1145.420.4-44.20000113.1
361Q41.2Very low40.8Very low183 Ų183155.8 Ų155.886%0.85578%0.777SS**  trans66144.6157.8-85.6160.7-29.400123.2
362F31.9Very low41.4Very low203 Ų203153.7 Ų153.789%0.8978%0.777SS**  trans-128.3179.5173.6-94.8-70.8000106.5
363P45.4Very low41.6Very low104 Ų104156.9 Ų156.968%0.67578%0.781SS**  cis-150.4176.527.444.2-23.4000120.1
364R40.4Very low41.7Very low216 Ų216157.1 Ų157.182%0.81578%0.783SS**  trans65.3157.7155.7-83.6170.4169.3-128.35.2117.5
365E41.8Very low41.8Very low145 Ų145158.7 Ų158.768%0.67879%0.788SS**  cis-143.2-174.811.4-147.2145.3-124.700115
366T42Very low41.7Very low128 Ų128156.2 Ų156.279%0.78579%0.79SS**  trans-73151.8-157.8-410000118.1
367P51.5Low42Very low118 Ų118152.5 Ų152.577%0.76678%0.784SS**  trans-106.1168.6173.340.8-35.2000114.9
368D40.1Very low42.2Very low164 Ų164152 Ų15288%0.87779%0.792SS**  trans-158.4162.3163.2-150.6-8.1000115.6
369R43Very low41.9Very low216 Ų216157.1 Ų157.182%0.81580%0.803SS**  trans90.484.7149.8-143.1170.1-165.7-169.94123.8
370T44.2Very low41.9Very low125 Ų125156.5 Ų156.577%0.76780%0.803SS**  83.5143126.2-49.90000122.1
371V44.9Very low41.8Very low130 Ų130155.6 Ų155.679%0.78880%0.801SS**  trans-118.2-159.7-162.5-160.90000110.1
372P50Low41.7Very low115 Ų115158.6 Ų158.675%0.74781%0.805SS**  -105.4-176.5-101.142.2-28.6000116.4
373R38.7Very low42.1Very low251 Ų251152.6 Ų152.695%0.94780%0.8SS**  -161.4157.1120.9-148.1161.5-175.7160.81.7113
374A39Very low41.9Very low91 Ų91153.8 Ų153.875%0.75281%0.811SS**  trans-101.9156.3-174.200000114.8
375R41.3Very low41.9Very low253 Ų253154.5 Ų154.596%0.95581%0.814SS**  trans-158.7164.6150.3-110.2169.1-173.4-158.7-0.9111.5
376S39.5Very low41.9Very low108 Ų108154 Ų15476%0.75582%0.82SS**  trans-85.8160.4-165.144.40000115.3
377P48.1Very low41.9Very low123 Ų123154 Ų15480%0.79982%0.819SS**  trans-85.6163.9-172.635.7-38.1000114.5
378P42.9Very low41.7Very low123 Ų123153.4 Ų153.480%0.79982%0.816SS**  -136.5175.8125.538.6-27.7000114.3
379F33.9Very low41.6Very low198 Ų198150.7 Ų150.787%0.86881%0.81SS**  trans-66.8151.7-180-66.8-103.4000113.9
380H40.6Very low41.5Very low178 Ų178151 Ų15182%0.82481%0.811SS**  -175.4132.9127.3-103.8-64.3000115.3
381S37.2Very low41.3Very low96 Ų96151.4 Ų151.467%0.67181%0.813SS**  trans62.4127137.7-51.20000123.1
382R38.9Very low41Very low246 Ų246151.4 Ų151.493%0.92881%0.813SS**  139.5128.1107.1-171.1175.9-69.9-126.40.5116.3
383G40.8Very low40.4Very low77 Ų77157 Ų15779%0.79482%0.819SS**  trans94.4147.6160.700000116.1
384S40.9Very low40.3Very low128 Ų128150.7 Ų150.790%0.89581%0.811SS**  cis-148.9168.6-6.3-163.90000112.5
385R40.5Very low40.1Very low232 Ų232158.3 Ų158.388%0.87582%0.82SS**  trans-72.1158-171.1-60.9168.7175179.5-3.8113.2
386V41.2Very low39.9Very low135 Ų135151.5 Ų151.582%0.81881%0.811SS**  169.2149.795.3152.80000107.2
387V42.8Very low40Very low126 Ų126152.2 Ų152.276%0.76481%0.813SS**  cis-157.5154-18.5138.60000107.6
388P46.6Very low39.4Very low107 Ų107151.6 Ų151.670%0.69581%0.812SS**  trans-119.4179.3-169.442.7-33.5000117.9
389S38.2Very low39.9Very low107 Ų107151.2 Ų151.275%0.74881%0.809SS**  trans84151.4168.9830000116.8
390R40.6Very low40.4Very low222 Ų222146.8 Ų146.884%0.83880%0.801SS**  cis-144.7140.418.1-79.1-172.5175.1-153.9-2115.1
391V40.7Very low40.3Very low133 Ų133146.2 Ų146.281%0.80680%0.798SS**  trans66.5155.4133.4-174.10000121
392V39.6Very low40.4Very low130 Ų130149.9 Ų149.979%0.78881%0.805SS**  trans97.594.2169.5-164.70000119.1
393R36.2Very low40.4Very low233 Ų233142.3 Ų142.388%0.87980%0.795SS**  trans30.2132.3133.1-152.2174.4-159.81605.9121.6
394P37.2Very low40.9Very low119 Ų119143.8 Ų143.877%0.77379%0.791SS**  trans-88.4144.4177.435.2-35.4000115.3
395R34.9Very low41.2Very low250 Ų250145.7 Ų145.794%0.94379%0.791SS**  trans-165.9158.5152.4-106.5172-174.2-163.6-0.3110.3
396S37.7Very low41.4Very low111 Ų111138 Ų13878%0.77678%0.784SS**  trans-63.8163.6176.940.30000113.4
397P40.5Very low41.1Very low123 Ų123137.2 Ų137.280%0.79978%0.784SS**  cis-147.8-168.338.543.1-21.1000118.3
398S35.2Very low41Very low109 Ų109136 Ų13676%0.76278%0.779SS**  trans-78.3-173.5170.3-21.10000113.1
399P53.8Low40.7Very low115 Ų115139 Ų13975%0.74778%0.783SS**  cis-125.3-152.2-9.534.3-11.4000111.7
400P44.2Very low40.5Very low106 Ų106141.2 Ų141.269%0.68879%0.787SS**  -156.1150.796.538.9-19.8000119.3
401Q39.4Very low40.6Very low165 Ų165135.9 Ų135.977%0.77178%0.781SS**  trans63.9157.6144.7-66.3-179.936.300119.8
402Q39.8Very low40.6Very low173 Ų173135.3 Ų135.381%0.80878%0.78SS**  cis-145.11669.8-137.1161.646.400111.3
403A37.9Very low40.5Very low88 Ų88137.7 Ų137.773%0.72778%0.782SS**  trans-125.7-174.2-173.500000113
404P52.2Low40.6Very low108 Ų108132.2 Ų132.270%0.70178%0.777SS**  -154154.295.738.8-20.2000119.2
405N45.3Very low40.4Very low168 Ų168131.2 Ų131.290%0.89877%0.773SS**  trans57.3136.9150.1-51.1-14.7000121
406G44.9Very low40.5Very low71 Ų71128.3 Ų128.373%0.73277%0.767SS**  cis175.6130-9.200000109.6
407S34.7Very low40.5Very low118 Ų118130.7 Ų130.783%0.82577%0.769SS**  84143.482.8-160.90000114.5
408P40.7Very low40.3Very low100 Ų100129.9 Ų129.965%0.64976%0.762SS**  cis-138.2-172.7-14.825.60.7000116.5
409H41.2Very low40.1Very low170 Ų170136.1 Ų136.179%0.78777%0.769SS**  trans79.391156.5-66.3-65.3000124.5
410N33.9Very low39.3Very low153 Ų153141.9 Ų141.982%0.81878%0.776SS**  59.6161.6110-86.8-8.1000125
411P42.7Very low38.9Very low110 Ų110147.1 Ų147.171%0.71478%0.782SS**  trans-108.5-169.7-148.647.4-41.2000114
412P40.6Very low38.7Very low122 Ų122143.4 Ų143.479%0.79277%0.774SS**  cis-142.7-167.71644.4-22.6000118.7
413Q37.7Very low38.4Very low179 Ų179140.3 Ų140.384%0.83677%0.771SS**  trans-56.3165.6168.2-87.7-161.627.200113.9
414P37.8Very low38.8Very low118 Ų118141.6 Ų141.677%0.76677%0.773SS**  cis-142.6-164.432.543.9-23.4000117.8
415S34.4Very low37.9Very low98 Ų98140.5 Ų140.569%0.68577%0.772SS**  trans-55.6146.6-172.555.30000118.8
416K36.4Very low37.6Very low190 Ų190141.9 Ų141.983%0.82677%0.771SS**  171.4-179.4118.1-92.6167.8-177.51770110.5
417I37.5Very low37.6Very low160 Ų160144.2 Ų144.282%0.82177%0.773SS**  trans73.9154.8164-68.4164.6000115.9
418V35.4Very low37.6Very low106 Ų106142.7 Ų142.764%0.64278%0.776SS**  cis-178.1135.4-46.5115.80000108
419W31Very low37.4Very low240 Ų240141.3 Ų141.391%0.90978%0.78SS**  trans61.7139.2158.6-68.439.5000122.2
420R37.3Very low37.3Very low237 Ų237139.3 Ų139.389%0.89478%0.78SS**  trans-151.9115.2147.4-166.5-170.9-56.9-110.23.4105.3
421R37Very low37.4Very low216 Ų216135.2 Ų135.282%0.81576%0.763SS**  cis91.499.340.6-166.4172.8-170.5-177.15.2113.6
422S34.4Very low37.2Very low87 Ų87133.4 Ų133.461%0.60875%0.753SS**  trans85.6110.2142.5-68.90000122.7
423S32.9Very low37.2Very low107 Ų107130.4 Ų130.475%0.74874%0.738SS**  79.3160.4107.6-59.10000121
424P47.6Very low37.4Very low116 Ų116132.2 Ų132.275%0.75374%0.738SS**  cis-144179.2-33.738.5-20.6000116.6
425A33.6Very low37.4Very low84 Ų84133.2 Ų133.269%0.69473%0.732SS**  trans73.9155145.500000121.1
426F37.7Very low37.6Very low197 Ų197134.6 Ų134.686%0.86473%0.732SS**  cis163.6178.5-29-99.5-46.4000108.1
427P45.4Very low37.5Very low120 Ų120135 Ų13578%0.77973%0.728SS**  cis-139178.1-32.137.2-18000116.7
428G35Very low37.5Very low86 Ų86134 Ų13489%0.88773%0.725SS**  trans88.3150.2152.700000119.3
429G36.8Very low37.6Very low71 Ų71133 Ų13373%0.73273%0.728SS**  cis141.5156.1-5.900000113.5
430T38.2Very low37.7Very low128 Ų128126.7 Ų126.779%0.78572%0.72SS**  cis-174.1153.3-18.5-4.40000112.5
431S36.1Very low37.7Very low67 Ų67119.9 Ų119.947%0.46971%0.705SS.*  trans69.9170.7160.3-1270000119.3K296K296-S431 WeakPolarHBondContact CD-OG 3.19Å
432S38.9Very low37.8Very low73 Ų73115.6 Ų115.651%0.5169%0.694SS.*  cis-160.3146.7-0.8-155.50000117K296K296-S432 PolarHBondContact NZ-OG 2.91Å
433A39.7Very low37.8Very low58 Ų58113.4 Ų113.448%0.47967%0.674SS.*  trans63.2173.214300000123.1
434W41.5Very low38.1Very low218 Ų218113 Ų11383%0.82667%0.667SS**  cis-143.9166.25.7-144-78.2000115.2
435E39Very low37.6Very low138 Ų138113.9 Ų113.965%0.64567%0.67SS**  trans-61.9155.5-171.4-84.8175.897.300124
436N38.5Very low37.6Very low128 Ų128113.8 Ų113.868%0.68466%0.664SS**  45.2138.2115-138.80.4000120.3
437R35.1Very low37.4Very low197 Ų197115.3 Ų115.374%0.74366%0.664SS**  175.1161.974-127.9-178.9-176.9156.10.9114.7
438N37Very low36.9Very low141 Ų141121.4 Ų121.475%0.75467%0.671SS**  trans70.9163.1157.2-51.5-17.7000120.3
439A36.2Very low36.9Very low85 Ų85123.7 Ų123.770%0.70267%0.668SS**  cis-174151.5-42.800000114.3
440S33Very low37.4Very low106 Ų106125.9 Ų125.974%0.74167%0.669SS**  trans73149.5160.147.70000123.8
441V37.4Very low37.3Very low95 Ų95124.9 Ų124.958%0.57667%0.668SS**  trans112.7138.9171.7-47.70000120.3D578V441-D578 HydrophobicContact CB-CB 4.46Å; V441-D578 HydrophobicContact CG2-CB 4.01Å
442E40Very low38.4Very low126 Ų126127.4 Ų127.459%0.58968%0.683SS**  trans-156.34.2-156.3-4077.62000124.3S576 P577E442-S576 WeakPolarHBondContact OE1-CB 3.41Å; E442-S576 PolarHBondContact OE1-OG 2.76Å; E442-P577 CarbonylContact C-O 3.59Å; E442-P577 WeakPolarHBondContact CA-O 3.2Å; E442-P577 PolarHBondContact N-O 3.23Å
443E35.3Very low39.3Very low40 Ų40129.6 Ų129.619%0.18770%0.695CS.*  trans-96.7146.2-155.9-113.8-126.414900124.6R575 P577E443-R575 HydrophobicContact CG-CG 3.88Å; E443-R575 WeakPolarHBondContact OE1-CG 3.41Å; E443-R575 IonicContact OE1-CZ 3.27Å; E443-R575 IonicContact OE1-NE 2.88Å; E443-R575 PolarHBondContact OE1-NE 3.46Å; E443-R575 IonicContact OE1-NH2 2.8Å; E443-R575 IonicContact OE2-CZ 2.98Å; E443-R575 VanDerWaalsContact OE2-CZ 3.23Å; E443-R575 IonicContact OE2-NE 3.12Å; E443-R575 PolarHBondContact OE2-NE 2.91Å; E443-R575 VanDerWaalsContact OE2-NE 3.12Å; E443-R575 IonicContact OE2-NH2 3.99Å; E443-R575 PolarHBondContact OE2-NH2 2.97Å; E443-P577 HydrophobicContact CB-CB 3.69Å; E443-P577 HydrophobicContact CB-CG 3.77Å; E443-P577 HydrophobicContact CG-CG 4.25Å; E443-P577 PolarHBondContact N-O 3.22Å
444V38.1Very low39.2Very low99 Ų99132.7 Ų132.760%0.671%0.71SS**  trans8.2131.5136.4-179.10000122.7
445V37.8Very low39.4Very low134 Ų134130.1 Ų130.181%0.81271%0.712SS**  -158.6118.3112145.70000113.2
446S33.6Very low40Very low82 Ų82129.4 Ų129.457%0.57372%0.719SS**  trans31.4126.1149.7-71.30000124.6
447R34Very low39.9Very low230 Ų230132.3 Ų132.387%0.86873%0.729SS**  64.7103.9128.7-56.6167.6-166.3-115.65.4120.2
448R34.7Very low39.9Very low248 Ų248134.7 Ų134.794%0.93674%0.738SS**  -168.2143109.4-113.4175175.5164.5-0.8113.7
449T34.6Very low40.1Very low133 Ų133132.9 Ų132.982%0.81673%0.732SS**  trans-81.7140.5171.4-30.70000111.1
450P46.2Very low40.2Very low117 Ų117137.5 Ų137.576%0.7674%0.739SS**  trans-119.3134.5154.834.8-23.8000112
451S37.3Very low40.4Very low107 Ų107135.9 Ų135.975%0.74874%0.739SS**PPolyproline II helixtrans-84.4156.3172-53.70000111.5
452P58.8Low40.5Very low121 Ų121137.8 Ų137.879%0.78675%0.751SS**PPolyproline II helixtrans-64.4158.316728-34.1000112
453P58.3Low40.4Very low119 Ų119136 Ų13677%0.77376%0.757SS**PPolyproline II helixtrans-85.1157.7-156.832.7-37.6000115.7
454P36.3Very low40.5Very low122 Ų122144.9 Ų144.979%0.79279%0.789SS**PPolyproline II helixtrans-83.3150.717734.4-35.4000113.3
455L45.8Very low40.6Very low165 Ų165147 Ų14786%0.86480%0.802SS**PPolyproline II helixtrans-85.4149162.3-78.7167.3000110.6
456P52.4Low40.6Very low122 Ų122144.2 Ų144.279%0.79280%0.8SS**PPolyproline II helixtrans-77.4144.5-165.530.1-35.9000113.9
457Q36.1Very low40.7Very low190 Ų190148.1 Ų148.189%0.88881%0.814SS**PPolyproline II helixtrans-81150.7167.5-64.1174.4-2700110.9
458W35.6Very low41Very low246 Ų246142.1 Ų142.193%0.93281%0.806SS**  trans-138.2130.8140.4-129.2-18.9000111.5
459T40Very low40.8Very low104 Ų104136.2 Ų136.264%0.63880%0.801SS**  trans-26.1160.7165.9480000118.9
460Q38.9Very low41.1Very low182 Ų182135.5 Ų135.585%0.8580%0.798SS**  cis-179.3129.1-14.9174172.77.700106.7
461G37.9Very low40.5Very low72 Ų72139.4 Ų139.474%0.74281%0.807SS**  trans-164.740-163.300000119.6
462V38.2Very low40.3Very low135 Ų135138.3 Ų138.382%0.81880%0.804SS**  trans50.5104.1149-172.20000120.2
463A38.4Very low39.4Very low88 Ų88137.9 Ų137.973%0.72780%0.801SS**  trans65155.4146.400000119.3
464R37.5Very low38.2Very low226 Ų226139.1 Ų139.185%0.85380%0.8SS**  cis-150.4134.15.4-164.6-179.3-76.5-130.71.7111.3
465V40.1Very low38Very low145 Ų145139.2 Ų139.288%0.87980%0.799SS**  trans28.7126.1151.6-175.90000120.5
466G37.2Very low37.5Very low74 Ų74143.7 Ų143.776%0.76380%0.804SS**  trans160.9102.4154.400000117
467N36.1Very low36.8Very low164 Ų164147.2 Ų147.288%0.87781%0.807SS**  trans-107.9169.8169.5-88.1-26.7000109.6
468P41.4Very low37Very low105 Ų105144.5 Ų144.568%0.68280%0.803SS**  cis-140.8-171.7-38.741.3-24.5000113.5
469C30.8Very low37.7Very low123 Ų123137.9 Ų137.983%0.83179%0.792SS**  trans76160.4153.9-73.30000120.2
470P40Very low37.5Very low119 Ų119140.5 Ų140.577%0.77380%0.802SS**  trans-129.7159.7-14742-27.2000117.1
471E33.9Very low37.7Very low199 Ų199138 Ų13893%0.9380%0.804SS**  trans-153.4172.7155.1-139171.1143.600111.1
472A32.3Very low38.1Very low83 Ų83146.5 Ų146.569%0.68681%0.814SS**  trans-114.6-172.5177.700000109.7
473P39.7Very low38.6Very low112 Ų112143.8 Ų143.873%0.72781%0.813SS**  cis-129.9-145.7-10.530.6-5.9000111.5
474L33.4Very low38.7Very low145 Ų145143 Ų14376%0.75981%0.814SS**  trans93.8116.6158.8-61.1166.9000121.1
475V33.2Very low38.9Very low125 Ų125140 Ų14076%0.75881%0.814SS**  33.6116.3129.2-1730000119.1
476W34.4Very low38.9Very low259 Ų259137.3 Ų137.398%0.98181%0.808SS**  trans-86145.3162.2-74.877.4000112.2
477K37.5Very low39.1Very low196 Ų196141.1 Ų141.185%0.85282%0.816SS**  trans-119.6153.2-171.3-158.4174.3-175.7179.20111.1
478V40.1Very low39.2Very low132 Ų132136.6 Ų136.680%0.881%0.808SS**  trans-64.9140.5-178.6-179.80000111.7
479P50.1Low39.1Very low108 Ų108139.7 Ų139.770%0.70182%0.818SS**  trans-85116.8-179.532.1-34.3000114.5
480N35.6Very low39.4Very low158 Ų158139.1 Ų139.185%0.84582%0.815SS**  trans34.4126.4132-52.9-30.4000121.6
481S44.3Very low39.1Very low129 Ų129144.2 Ų144.290%0.90282%0.819SS**  trans-138.3157.5138.257.70000109.6
482R45.3Very low39Very low252 Ų252142.4 Ų142.495%0.95182%0.816SS**  trans-145.4138-156163.2-177.2163.7-172.2-4.7113.3
483G48.6Very low39Very low78 Ų78143.4 Ų143.480%0.80482%0.817SS**  trans106.1142.2171.800000113.1
484G40.5Very low38.7Very low72 Ų72142.9 Ų142.974%0.74282%0.817SS**  cis-171.9165.5-3.900000113.2
485D42.7Very low38.9Very low161 Ų161144.3 Ų144.386%0.86182%0.824SS**  trans54.396.8159.6-57.9-10.4000122.1
486A39.5Very low38.9Very low90 Ų90143.4 Ų143.474%0.74482%0.821SS**  85.9143.8113.200000122.3
487V41.5Very low38.7Very low154 Ų154134.8 Ų134.893%0.93380%0.804SS**  trans64.9127.2172.4-1670000115.3
488G37.8Very low38.3Very low68 Ų68132.6 Ų132.670%0.70180%0.801SS**  trans168.9-7177.200000120
489L40.5Very low37.8Very low171 Ų171134 Ų13490%0.89580%0.804SS**  trans67.4153.5179.9-60.8163.1000116
490S36.9Very low37.2Very low110 Ų110134.4 Ų134.477%0.76981%0.806SS**  trans32.295.7167.3-58.20000116.9
491R32.3Very low36.9Very low227 Ų227137.1 Ų137.186%0.85780%0.804SS**  40.2100.353.6-81.3-171.2179.1-175.30.3110.8
492D33.7Very low36.4Very low161 Ų161137.8 Ų137.886%0.86179%0.794SS**  cis62.479.832.9-145.926.8000111.2
493S30.7Very low35.9Very low103 Ų103130.1 Ų130.172%0.7278%0.784SS**  trans-171.3147168.8-69.10000105.5
494S33Very low35.6Very low102 Ų102132.3 Ų132.371%0.71378%0.784SS**  cis-150.8132.716-22.70000111.2
495L39.7Very low35.7Very low175 Ų175137.3 Ų137.392%0.91679%0.788SS**  -58.2140.5128.1-69.6165.5000106.3
496P32.2Very low35.8Very low106 Ų106135 Ų13569%0.68878%0.781SS**  -153.1164.797.342.9-26.6000116.1
497A29.3Very low36Very low77 Ų77136.9 Ų136.964%0.63678%0.777SS**  45.6129.1128.200000122.3
498L30.6Very low35.8Very low150 Ų150132.9 Ų132.979%0.78575%0.749SS**  62.4123.5122.3-60.7174.6000120.4
499L28.4Very low35.9Very low162 Ų162135.2 Ų135.285%0.84875%0.749SS**  trans76.1161.3146.9-61.1167.9000116.6
500P38.6Very low35.7Very low116 Ų116136 Ų13675%0.75374%0.74SS**  trans-104.1171.1-158.739.3-34.8000114.6
501R29.5Very low35.6Very low215 Ų215136.5 Ų136.581%0.81174%0.739SS**  trans135109.8130.6-167.9167.3-173.4-168.2-3.8117.4
502E33.9Very low36.2Very low144 Ų144131.6 Ų131.667%0.67374%0.737SS**  trans6499.4131.8-154.8169.9-167.500123.4
503A34.5Very low36.4Very low91 Ų91129.2 Ų129.275%0.75273%0.733SS**  trans63.3172135.700000122
504P42.4Very low37.1Very low123 Ų123130.6 Ų130.680%0.79974%0.739SS**  cis-129.6-170.4-32.327.5-4.3000115.3
505H41.9Very low37.5Very low178 Ų178129.1 Ų129.182%0.82474%0.74SS**  trans-84.2175.1-178.5-43.6-84.4000115.8
506P45.4Very low37.8Very low112 Ų112129.7 Ų129.773%0.72774%0.738SS**  -154.5147100.640.3-20.9000119
507I43Very low38.6Very low129 Ų129129.6 Ų129.666%0.66274%0.736SS**  86.8145.694-62.7179.6000116.2P1009I507-P1009 HydrophobicContact CB-CG 4.13Å; I507-P1009 HydrophobicContact CD1-CG 4.45Å; I507-P1009 HydrophobicContact CG1-CG 3.75Å; I507-P1009 HydrophobicContact CG2-CG 3.93Å
508E38.8Very low39.6Very low70 Ų70136.7 Ų136.733%0.32775%0.746SS.*  cis-110.2-109.92.7-166.2-159.7-148.400114.2R510 P1009E508-R510 IonicContact OE1-CZ 2.63Å; E508-R510 VanDerWaalsContact OE1-CZ 3.27Å; E508-R510 IonicContact OE1-NE 2.84Å; E508-R510 PolarHBondContact OE1-NE 2.86Å; E508-R510 IonicContact OE1-NH2 3.57Å; E508-R510 PolarHBondContact OE1-NH2 3.3Å; E508-R510 WeakPolarHBondContact OE2-CG 3.44Å; E508-R510 IonicContact OE2-CZ 3.67Å; E508-R510 IonicContact OE2-NE 2.68Å; E508-R510 PolarHBondContact OE2-NE 3.47Å; E508-R510 VanDerWaalsContact OE2-NE 3.12Å; E508-P1009 HydrophobicContact CB-CG 4.4Å; E508-P1009 HydrophobicContact CG-CB 4.15Å; E508-P1009 HydrophobicContact CG-CG 4.07Å
509T39.3Very low39.8Very low117 Ų117134.2 Ų134.272%0.71874%0.741SS**  cis-151.5-163.37.8-54.40000111.8
510R35.8Very low40.9Very low187 Ų187132.6 Ų132.671%0.70674%0.74SS**  trans-135.6128.9-154.1-72.6178.5-168.8-160.4-3.2120.7E508E508-R510 IonicContact OE1-CZ 2.63Å; E508-R510 VanDerWaalsContact OE1-CZ 3.27Å; E508-R510 IonicContact OE1-NE 2.84Å; E508-R510 PolarHBondContact OE1-NE 2.86Å; E508-R510 IonicContact OE1-NH2 3.57Å; E508-R510 PolarHBondContact OE1-NH2 3.3Å; E508-R510 WeakPolarHBondContact OE2-CG 3.44Å; E508-R510 IonicContact OE2-CZ 3.67Å; E508-R510 IonicContact OE2-NE 2.68Å; E508-R510 PolarHBondContact OE2-NE 3.47Å; E508-R510 VanDerWaalsContact OE2-NE 3.12Å
511T34Very low41.4Very low121 Ų121133.8 Ų133.874%0.74275%0.745SS**  31.3165.6107.152.90000121.8
512P45Very low42.2Very low125 Ų125128.4 Ų128.481%0.81274%0.736SS**  cis-145.1-162.226.345-22.7000119.1
513S38.2Very low42.5Very low110 Ų110130.4 Ų130.477%0.76975%0.745SS**  trans-131.7177.5-163.6-26.80000116.1
514P46.8Very low42.8Very low132 Ų132129.4 Ų129.486%0.85774%0.744SS**  trans-106.5-176.8143.938.5-29.1000111.5
515G39.8Very low42.6Very low71 Ų71128.3 Ų128.373%0.73275%0.745SS**  cis166.9151.2-1000000113.8
516E47Very low42.4Very low187 Ų187124.7 Ų124.787%0.87474%0.74SS**  trans59.1147.5164.2-57.5-162.1110.300123.5
517T49.9Very low42.1Very low104 Ų104125.4 Ų125.464%0.63874%0.743SS**  -172.3170.3-51.4-92.10000110.8
518W48.6Very low42Very low227 Ų227123.5 Ų123.586%0.8675%0.746SS**  trans87.3147.3172.5-49.998.9000117.1
519S35.5Very low41.9Very low98 Ų98127.8 Ų127.869%0.68577%0.77SS**  cis-166.6134.9-39.2-105.90000111.3
520P51.9Low42.1Very low127 Ų127129.3 Ų129.383%0.82577%0.769SS**  trans-124.4179.1-174.943.5-33.4000116.4
521V49.6Very low42.2Very low141 Ų141126.8 Ų126.886%0.85577%0.765SS**  trans-155148.7-178.6140.80000109.8
522V44.8Very low42.4Very low102 Ų102128.8 Ų128.862%0.61877%0.766SS**  cis-166.5152.2-27.180.10000110.2
523Q41.7Very low42Very low186 Ų186126.7 Ų126.787%0.86976%0.76SS**  trans48.1139.5160.3-73.8153.69.200122.3
524G38.8Very low42Very low71 Ų71128.9 Ų128.973%0.73276%0.76SS**  cis164.1163.1-11.500000116.1
525A39.2Very low41.6Very low99 Ų99129.9 Ų129.982%0.81876%0.757SS**  trans66.5154.9156.600000119.7
526S38.2Very low41.5Very low103 Ų103130 Ų13072%0.7276%0.759SS**  cis-179.6163.1-15.9-90.60000108.6
527T39.4Very low41Very low127 Ų127128.8 Ų128.878%0.77976%0.758SS**  cis-172.9161.1-21.9310000108.8
528A39.3Very low40.1Very low89 Ų89128.7 Ų128.774%0.73676%0.757SS**  trans70.5162.6157.300000118.4
529L38.1Very low39.5Very low159 Ų159125.9 Ų125.983%0.83275%0.753SS**  cis-157.2-157.8-22.5-102.6168.1000106.8
530H41.9Very low39.3Very low149 Ų149128.1 Ų128.169%0.6975%0.753SS**  cis-160.1-160.414.2-157.5-124.8000113.5
531Q38Very low38.6Very low134 Ų134129.3 Ų129.363%0.62675%0.752SS**  trans-94.4-179.9-173.3-82.3-171.6-50.300115.5
532E39.3Very low38Very low164 Ų164130.1 Ų130.177%0.76675%0.746SS**  cis-173.5177.9-24.1-176.1163.5131.400109.5
533A35.9Very low37.9Very low81 Ų81130.4 Ų130.467%0.66975%0.75SS**  trans-74-165.2-170.400000116.7
534M38.5Very low38.3Very low156 Ų156125.8 Ų125.877%0.76874%0.736SS**  cis-166.8171.211-121.2-117.4175.200113.2
535N37.8Very low38.1Very low152 Ų152128.4 Ų128.481%0.81374%0.738SS**  trans74.4150.1152.5-70.7-36.4000124.3
536G37.7Very low38.6Very low74 Ų74129 Ų12976%0.76373%0.734SS**  trans96.2103.516800000115.1
537L36.2Very low38.7Very low162 Ų162129.5 Ų129.585%0.84874%0.737SS**  cis89.612633.3-141.7170.7000114
538T32.7Very low38.8Very low101 Ų101127.8 Ų127.862%0.6274%0.736SS**  trans92112.5161-9.80000120.7
539Q34.6Very low39.3Very low168 Ų168129.3 Ų129.379%0.78574%0.738SS**  trans56.7167.4143.5-68.5175.865.200118.3
540E30.8Very low39.5Very low146 Ų146125.9 Ų125.968%0.68273%0.733SS**  cis-154.4177.86.9-144.7-177.2119.300111.2
541L37.9Very low39.4Very low152 Ų152124.9 Ų124.980%0.79674%0.737SS**  trans74.6123.2153.3-70.3161.8000123.6
542E38.1Very low39.8Very low158 Ų158123.4 Ų123.474%0.73874%0.739SS**  trans-73.2-164.7156.5-136.7-142.4126.600110.2
543P41Very low39.7Very low107 Ų107123.9 Ų123.970%0.69574%0.741SS**  cis-138.2-141.49.535.7-7.1000114.6
544P50.3Low39.8Very low89 Ų89126.8 Ų126.858%0.57875%0.745SS**  -138.1-158.2-9745-25.4000117.2
545T34.9Very low39.4Very low126 Ų126125.1 Ų125.177%0.77374%0.744SS**  trans90.9156.1151.530.40000121.6
546P50.2Low39.3Very low112 Ų112126.5 Ų126.573%0.72775%0.745SS**  -143-152.8-122.446.5-24.7000116.6
547S39.5Very low39Very low114 Ų114127.4 Ų127.480%0.79775%0.746SS**  trans100.9144.4165.4-47.90000116.1
548A43.3Very low38.8Very low90 Ų90127.3 Ų127.374%0.74475%0.745SS**  cis-158.3-152.6-16.900000109.6
549P48.7Very low38.5Very low122 Ų122127.8 Ų127.879%0.79275%0.752SS**  -128.2-170.7-103.242.1-24.9000116.8
550A42.4Very low38.3Very low87 Ų87127 Ų12772%0.71975%0.752SS**  trans84.6135.316500000118
551T39.6Very low38.3Very low128 Ų128128 Ų12879%0.78576%0.761SS**  cis145158.1-13.934.20000107.7
552P47Very low37.9Very low103 Ų103125.2 Ų125.267%0.66975%0.754SS**  cis-140.4-170.3-13.937.3-16000115.1
553E37.1Very low37.5Very low173 Ų173125 Ų12581%0.80876%0.757SS**  trans67.4135.8157.9-56.7-158.7162.500120.1
554L37.6Very low37.2Very low142 Ų142126.6 Ų126.674%0.74376%0.756SS**  cis-153.1132.5-5.2-120.4170.2000109.8
555T31.1Very low36.3Very low122 Ų122128.6 Ų128.675%0.74876%0.761SS**  trans-146.7142179.5-61.50000111.4
556E35.2Very low36.3Very low180 Ų180127.7 Ų127.784%0.84177%0.767SS**  trans8.9122.7162.2-57.2173.6162.200121.1
557A31.9Very low35.5Very low94 Ų94125.3 Ų125.378%0.77776%0.762SS**  trans-140.6134.4141.100000107.2
558L31.2Very low35.4Very low159 Ų159128.3 Ų128.383%0.83277%0.768SS**  cis78150.744.1-65.8178.9000114.6
559C27.4Very low35.1Very low111 Ų111127.7 Ų127.775%0.7576%0.762SS**  trans71.6116.4-172.9-60.60000114.4
560L29.6Very low34.7Very low153 Ų153128.1 Ų128.180%0.80176%0.763SS**  84.2135.852.2-72.9168.3000112.9
561L31Very low34.6Very low167 Ų167135.2 Ų135.287%0.87477%0.771SS**  trans68.3158.8169.1-58.9152.8000115
562S29Very low34.5Very low92 Ų92133 Ų13364%0.64377%0.773SS**  cis-171.3130.3-28.8174.70000110.6
563L30.9Very low34Very low153 Ų153131.5 Ų131.580%0.80178%0.776SS**  trans64.3175.1153.6-154.165000118.6
564E33Very low34Very low142 Ų142132 Ų13266%0.66478%0.779SS**  trans85.578.2149-151.988.9-121.200119.5
565N32.3Very low34.1Very low130 Ų130132.8 Ų132.870%0.69577%0.772SS**  52.8132.8120.3-59.1-32.4000123.1
566A34.6Very low34Very low107 Ų107129.2 Ų129.288%0.88475%0.752SS**  trans64.8148.3156.900000117.9
567G33.4Very low34.8Very low62 Ų62123.1 Ų123.164%0.63973%0.728SS**  cis134.2160.71.200000111.5
568I37.6Very low35.4Very low177 Ų177123.9 Ų123.991%0.90872%0.719SS**  trans74.7140.4176-52.4169.5000114.2
569A36.8Very low35.9Very low77 Ų77122.4 Ų122.464%0.63672%0.716SS**  cis-174.7-172-28.500000109.6
570V40.1Very low36.7Very low131 Ų131124.2 Ų124.279%0.79472%0.718SS**  trans73.1138.7148.3154.70000117
571R39.4Very low36.9Very low237 Ų237122.9 Ų122.989%0.89472%0.717SS**  cis-149.8166.4-9.3-106.3169.6-172.4-162.72106.1
572G39.2Very low37.6Very low81 Ų81120.9 Ų120.984%0.83571%0.713SS**  cis113.1138.62300000110.3
573G36.6Very low38.3Very low71 Ų71125.7 Ų125.773%0.73273%0.726SS**  cis167-171.2-2.700000112.4
574Q37Very low38.4Very low183 Ų183126.7 Ų126.786%0.85573%0.726SS**  trans76.4163.1165.3-51.1-64.232.900119.3
575R38.4Very low38.8Very low160 Ų160123.5 Ų123.560%0.60472%0.718SS**  cis169.5143.5-24.5-162.7-166.3176.2-132.5-7.7108.2E443E443-R575 HydrophobicContact CG-CG 3.88Å; E443-R575 WeakPolarHBondContact OE1-CG 3.41Å; E443-R575 IonicContact OE1-CZ 3.27Å; E443-R575 IonicContact OE1-NE 2.88Å; E443-R575 PolarHBondContact OE1-NE 3.46Å; E443-R575 IonicContact OE1-NH2 2.8Å; E443-R575 IonicContact OE2-CZ 2.98Å; E443-R575 VanDerWaalsContact OE2-CZ 3.23Å; E443-R575 IonicContact OE2-NE 3.12Å; E443-R575 PolarHBondContact OE2-NE 2.91Å; E443-R575 VanDerWaalsContact OE2-NE 3.12Å; E443-R575 IonicContact OE2-NH2 3.99Å; E443-R575 PolarHBondContact OE2-NH2 2.97Å
576S30Very low39.1Very low46 Ų46128 Ų12832%0.32273%0.725SS.*  cis85.2022.1-42.90000113.6E442E442-S576 WeakPolarHBondContact OE1-CB 3.41Å; E442-S576 PolarHBondContact OE1-OG 2.76Å
577P50.9Low39Very low53 Ų53127 Ų12734%0.34471%0.712SS.*  0160.5011.67.2000122.2E442 E443E442-P577 CarbonylContact C-O 3.59Å; E442-P577 WeakPolarHBondContact CA-O 3.2Å; E442-P577 PolarHBondContact N-O 3.23Å; E443-P577 HydrophobicContact CB-CB 3.69Å; E443-P577 HydrophobicContact CB-CG 3.77Å; E443-P577 HydrophobicContact CG-CG 4.25Å; E443-P577 PolarHBondContact N-O 3.22Å
578D44.2Very low39.1Very low110 Ų110132 Ų13259%0.58872%0.718SS**  cis-161.9-178.4-2.7-135.1-53.7000115.8V441V441-D578 HydrophobicContact CB-CB 4.46Å; V441-D578 HydrophobicContact CG2-CB 4.01Å
579V42.5Very low39Very low127 Ų127130.7 Ų130.777%0.7771%0.712SS**  trans-154.8151.3-159.6680000121.9
580D44.4Very low38.9Very low150 Ų150133 Ų13380%0.80272%0.718SS**  trans-162.3-172.6162.1-157.66.4000118.4
581T34.1Very low38.6Very low125 Ų125132.3 Ų132.377%0.76772%0.72SS**  trans-150.9176.3-158.543.20000120.5
582P46.3Very low38.3Very low124 Ų124126.8 Ų126.881%0.80571%0.712SS**  trans-132.2176.9-165.146-34.2000121.8
583E42.8Very low38.4Very low193 Ų193130.1 Ų130.190%0.90271%0.71SS**  trans-142.7-178.3165.4-129-128.791.900117.7
584Q33.6Very low38.6Very low174 Ų174132.6 Ų132.681%0.81371%0.707SS**  trans-132-127.8-151.2-147-157.1-0.300121.8
585P41.4Very low38.7Very low75 Ų75130.8 Ų130.849%0.48770%0.703SS.*  -123166.9-12034.8-15.9000120.5
586R37.1Very low38.7Very low226 Ų226129.8 Ų129.885%0.85371%0.71SS**  157.3121123.8-86.9167.7177.3144.30.9119.8
587S32.7Very low39.1Very low86 Ų86133.2 Ų133.260%0.60173%0.728SS**  trans59.3139.2130.872.60000126.8
588H35.5Very low38.3Very low166 Ų166136.3 Ų136.377%0.76975%0.75SS**  trans84.4152.5148.1-60.5-38.6000120
589L36.2Very low38.2Very low150 Ų150136.1 Ų136.179%0.78576%0.755SS**  cis-157-145.2-12.2-114.9173000115.6
590T33.7Very low37.7Very low124 Ų124139 Ų13976%0.76176%0.76SS**  trans-71.9152.1-167.5-11.60000119.5
591S34.1Very low37.2Very low118 Ų118135.6 Ų135.683%0.82575%0.753SS**  trans-161.4168162.2-164.60000113.9
592T33.4Very low37.5Very low121 Ų121137 Ų13774%0.74276%0.76SS**  trans-161.3174.3-171.7-18.10000115.1
593L42.4Very low37Very low150 Ų150134 Ų13479%0.78575%0.753SS**  trans73.7153.8171.7-8881.5000117.9
594D39.8Very low36.6Very low123 Ų123131.5 Ų131.566%0.65876%0.757SS**  cis-164.8169.4-30-133.2-23.9000111.4
595D40Very low36.7Very low146 Ų146126.9 Ų126.978%0.78176%0.755SS**  trans46.7158153-81.4-24.1000122.5
596D37.5Very low36.3Very low139 Ų139132.7 Ų132.774%0.74378%0.776SS**  cis-163.8179.7-11.6177.731.1000109.1
597V39Very low36.3Very low117 Ų117126.8 Ų126.871%0.70978%0.776SS**  trans90.4125.8160.3-1680000119.9
598C34.1Very low36.3Very low118 Ų118127.6 Ų127.680%0.79779%0.787SS**  trans-124162.7166.3-92.30000107.5
599P41.1Very low36.4Very low107 Ų107125.7 Ų125.770%0.69579%0.792SS**  -159.6-168.464.143.7-20.5000117.4
600E31.8Very low36.3Very low187 Ų187126.8 Ų126.887%0.87479%0.793SS**  trans38.1146144.9-72.1-178.4126.500121.8
601A34.3Very low36.6Very low79 Ų79131.8 Ų131.865%0.65380%0.799SS**  cis-163.8172.429.400000113.3
602V40.6Very low36.9Very low153 Ų153132.1 Ų132.193%0.92780%0.798SS**  trans63.2134162.9-164.50000117.5
603G36.3Very low37.2Very low63 Ų63136.6 Ų136.665%0.64980%0.801SS**  cis159.1156.6-8.400000113.5
604S33.9Very low37.3Very low140 Ų140136.2 Ų136.298%0.97981%0.805SS**  trans69.3145.4173.3-159.80000118.4
605G35.7Very low37.6Very low76 Ų76136 Ų13678%0.78481%0.808SS**  trans142.447.9172.400000117.4
606E34Very low37.7Very low198 Ų198135.9 Ų135.993%0.92581%0.806SS**  trans-79.1125.1-176.2-176.7-176.1163.400114.3
607A35.5Very low38.5Very low102 Ų102134.9 Ų134.984%0.84381%0.807SS**  trans-163.7133.2152.100000110.7
608A33.8Very low39.1Very low102 Ų102140.2 Ų140.284%0.84381%0.814SS**  trans-107.8151.7-169.100000114.9
609S36.4Very low40Very low126 Ų126141 Ų14188%0.88182%0.818SS**  trans-15685.1158.7-161.90000111.2
610E35.2Very low40.3Very low173 Ų173146.6 Ų146.681%0.80883%0.825SS**  trans-77.7137.3176.5-79-154.3108.100112.5
611R39.7Very low41.2Very low230 Ų230141.3 Ų141.387%0.86880%0.803SS**  trans-72138.6173.4-79.6177.5166165.9-5111.7R613R611-R613 PolarHBondContact O-N 3.03Å; R611-R613 VanDerWaalsContact O-N 3.13Å
612P39.9Very low42.3Very low124 Ų124142.8 Ų142.881%0.80580%0.803SS**  trans-68.4110.8-179.727.7-34.7000112.1V614P612-V614 PolarHBondContact O-N 3.21Å
613R40.9Very low43.2Very low215 Ų215146.2 Ų146.281%0.81180%0.8SS**  trans-8293.8174.4-72.6-179.3174153.10.7111.2R611 T615R611-R613 PolarHBondContact O-N 3.03Å; R611-R613 VanDerWaalsContact O-N 3.13Å; R613-T615 PolarHBondContact O-N 3.03Å; R613-T615 PolarHBondContact O-OG1 3.19Å; R613-T615 VanDerWaalsContact O-OG1 3.07Å
614V43.2Very low44.2Very low142 Ų142150 Ų15086%0.86180%0.798SS**  trans-57.1104.2171.3-179.80000109.6P612P612-V614 PolarHBondContact O-N 3.21Å
615T45.8Very low45.1Very low120 Ų120148.9 Ų148.974%0.73678%0.779SS**  trans-94.5112.3-173.8-64.40000110R613 P617R613-T615 PolarHBondContact O-N 3.03Å; R613-T615 PolarHBondContact O-OG1 3.19Å; R613-T615 VanDerWaalsContact O-OG1 3.07Å; T615-P617 WeakPolarHBondContact O-CD 3.41Å
616I43.1Very low46.2Very low143 Ų143149.8 Ų149.873%0.73377%0.769SS**PPolyproline II helixtrans-59.7121177.1-57176.3000109.2R618I616-R618 PolarHBondContact O-N 3.23Å
617P54.5Low47.2Very low118 Ų118148.9 Ų148.977%0.76676%0.762SS**PPolyproline II helixtrans-66.9118.9-177.126.2-33.6000110.2T615T615-P617 WeakPolarHBondContact O-CD 3.41Å
618R52.1Low48.2Very low229 Ų229148.8 Ų148.886%0.86475%0.751SS**PPolyproline II helixtrans-73.6140.7179.9-72.5-174.5171.4178.1-0.5110.8I616 R620I616-R618 PolarHBondContact O-N 3.23Å; R618-R620 VanDerWaalsContact C-N 3.26Å; R618-R620 PolarHBondContact O-N 3.38Å
619P51.7Low49.1Very low134 Ų134148.6 Ų148.687%0.8774%0.74SS**SBendtrans-75.871.3-175.131.5-37.1000112.3
620R47.1Very low49.6Very low225 Ų225152 Ų15285%0.84974%0.735SS**  trans-148.752179.2-76.3-163.1174.5162.5-0.8114.3R618R618-R620 VanDerWaalsContact C-N 3.26Å; R618-R620 PolarHBondContact O-N 3.38Å
621D52.1Low50.1Low75 Ų75146.6 Ų146.640%0.40172%0.72SS.*  trans-162.379.4141.5-156.6-21.8000111.7R623 K624 M625D621-R623 PolarHBondContact O-N 2.94Å; D621-R623 WeakPolarHBondContact OD1-CB 3.49Å; D621-R623 PolarHBondContact OD1-N 2.97Å; D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 HydrophobicContact CB-CD 4.22Å; D621-K624 HydrophobicContact CB-CG 4.21Å; D621-K624 PolarHBondContact O-N 3.26Å; D621-K624 PolarHBondContact OD1-N 2.84Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CE 3.35Å; D621-K624 VanDerWaalsContact OD2-CG 3.25Å; D621-K624 WeakPolarHBondContact OD2-CG 3.39Å; D621-K624 IonicContact OD2-NZ 3.62Å; D621-M625 PolarHBondContact O-N 2.85Å
622V57.7Low50.4Low110 Ų110140.4 Ų140.467%0.66771%0.709SS**Hα-helixtrans-59.8-25.2176.3-890000112.8M625 V626V622-M625 HydrophobicContact CG1-CE 4.49Å; V622-V626 WeakPolarHBondContact O-CG2 3.19Å; V622-V626 PolarHBondContact O-N 3.29Å
623R58.2Low50.5Low225 Ų225140.1 Ų140.185%0.84971%0.71SS**Hα-helixtrans-74.6-23.6174.9-77.5-177.2167.1-177.8-4.4113.2D621D621-R623 PolarHBondContact O-N 2.94Å; D621-R623 WeakPolarHBondContact OD1-CB 3.49Å; D621-R623 PolarHBondContact OD1-N 2.97Å
624K57.4Low50.6Low143 Ų143138.2 Ų138.262%0.62271%0.708SS**Hα-helixtrans-84.3-39.7169-73.1-179.7-173-177.70112.6D621 V626 K627 T628D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 HydrophobicContact CB-CD 4.22Å; D621-K624 HydrophobicContact CB-CG 4.21Å; D621-K624 PolarHBondContact O-N 3.26Å; D621-K624 PolarHBondContact OD1-N 2.84Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CE 3.35Å; D621-K624 VanDerWaalsContact OD2-CG 3.25Å; D621-K624 WeakPolarHBondContact OD2-CG 3.39Å; D621-K624 IonicContact OD2-NZ 3.62Å; K624-V626 PolarHBondContact O-N 2.85Å; K624-K627 CarbonylContact O-C 3.55Å; K624-K627 WeakPolarHBondContact O-CA 3.16Å; K624-K627 WeakPolarHBondContact O-CB 3.25Å; K624-K627 PolarHBondContact O-N 3.32Å; K624-T628 PolarHBondContact O-N 3.1Å; K624-T628 VanDerWaalsContact O-N 3.08Å; K624-T628 PolarHBondContact O-OG1 2.86Å
625M52.2Low51.2Low116 Ų116137.1 Ų137.157%0.57170%0.704SS**Hα-helixtrans-59.8-46.6-178.9-161.5166.676.300111.7D621 V622 K627 T628 T629D621-M625 PolarHBondContact O-N 2.85Å; V622-M625 HydrophobicContact CG1-CE 4.49Å; M625-K627 PolarHBondContact O-N 2.82Å; M625-T628 PolarHBondContact O-N 3.16Å; M625-T628 PolarHBondContact O-OG1 2.9Å; M625-T629 WeakPolarHBondContact O-CB 3.18Å; M625-T629 PolarHBondContact O-N 3.16Å; M625-T629 PolarHBondContact O-OG1 2.76Å
626V59.1Low51.1Low96 Ų96136.1 Ų136.158%0.58271%0.707SS**Hα-helixtrans-60.5-30173.7174.30000112.5V622 K624V622-V626 WeakPolarHBondContact O-CG2 3.19Å; V622-V626 PolarHBondContact O-N 3.29Å; K624-V626 PolarHBondContact O-N 2.85Å
627K55.8Low50.9Low179 Ų179132.7 Ų132.778%0.77871%0.707SS**Hα-helixtrans-78.3-17.1177.5-169169.8179.6177.80113.6K624 M625K624-K627 CarbonylContact O-C 3.55Å; K624-K627 WeakPolarHBondContact O-CA 3.16Å; K624-K627 WeakPolarHBondContact O-CB 3.25Å; K624-K627 PolarHBondContact O-N 3.32Å; M625-K627 PolarHBondContact O-N 2.82Å
628T55.6Low50.3Low99 Ų99133.4 Ų133.461%0.60771%0.71SS**Hα-helixtrans-102.9-27.1176.651.10000113.8K624 M625 Y630K624-T628 PolarHBondContact O-N 3.1Å; K624-T628 VanDerWaalsContact O-N 3.08Å; K624-T628 PolarHBondContact O-OG1 2.86Å; M625-T628 PolarHBondContact O-N 3.16Å; M625-T628 PolarHBondContact O-OG1 2.9Å; T628-Y630 PolarHBondContact O-N 3.31Å
629T53.8Low49.8Very low98 Ų98128.6 Ų128.660%0.60171%0.708SS**Hα-helixtrans-75.9-18.3-175.1-620000114.3M625M625-T629 WeakPolarHBondContact O-CB 3.18Å; M625-T629 PolarHBondContact O-N 3.16Å; M625-T629 PolarHBondContact O-OG1 2.76Å
630Y46.9Very low48.9Very low199 Ų199125.4 Ų125.478%0.7870%0.7SS**THydrogen-bonded Turntrans-109.318.7179-72.4-77.8000114.4T628 P632T628-Y630 PolarHBondContact O-N 3.31Å; Y630-P632 WeakPolarHBondContact O-CD 3.23Å
631A45.4Very low48.4Very low59 Ų59120.7 Ų120.749%0.48870%0.701SS.*  trans-92.4114.3171.200000109.7S633A631-S633 PolarHBondContact O-N 3.2Å; A631-S633 VanDerWaalsContact O-N 3.15Å
632P45.3Very low47.4Very low99 Ų99120.7 Ų120.764%0.64372%0.719SS**  trans-72108.6169.9-8.124.9000108.2Y630 F634Y630-P632 WeakPolarHBondContact O-CD 3.23Å; P632-F634 HydrophobicContact CB-CD2 4.15Å; P632-F634 HydrophobicContact CB-CE2 3.79Å; P632-F634 HydrophobicContact CB-CZ 4.38Å; P632-F634 HydrophobicContact CG-CE2 4.34Å; P632-F634 WeakPolarHBondContact O-CD2 3.48Å; P632-F634 PolarHBondContact O-N 3.41Å
633S43.1Very low46.7Very low118 Ų118123.3 Ų123.383%0.82573%0.728SS**  trans-72.874.9176.5-60.70000110.9A631A631-S633 PolarHBondContact O-N 3.2Å; A631-S633 VanDerWaalsContact O-N 3.15Å
634F42.6Very low46Very low175 Ų175118.1 Ų118.177%0.76872%0.724SS**  trans-60.6129.5166.4-68.6-78.2000109.1P632 A636P632-F634 HydrophobicContact CB-CD2 4.15Å; P632-F634 HydrophobicContact CB-CE2 3.79Å; P632-F634 HydrophobicContact CB-CZ 4.38Å; P632-F634 HydrophobicContact CG-CE2 4.34Å; P632-F634 WeakPolarHBondContact O-CD2 3.48Å; P632-F634 PolarHBondContact O-N 3.41Å; F634-A636 PolarHBondContact O-N 2.87Å
635P55.9Low45.1Very low119 Ų119115.5 Ų115.577%0.77373%0.729SS**  trans-63.3131172.727.1-33.1000108.9G637P635-G637 PolarHBondContact O-N 3.47Å; P635-G637 VanDerWaalsContact O-N 3.09Å
636A44.5Very low44.9Very low99 Ų99115.4 Ų115.482%0.81874%0.737SS**  trans-65.9111.3178.300000109.6F634 T638F634-A636 PolarHBondContact O-N 2.87Å; A636-T638 PolarHBondContact O-N 2.75Å
637G38.2Very low44.3Very low71 Ų71116.6 Ų116.673%0.73275%0.747SS**  trans-62.5122179.400000111.4P635P635-G637 PolarHBondContact O-N 3.47Å; P635-G637 VanDerWaalsContact O-N 3.09Å
638T42.6Very low43.3Very low134 Ų134112.5 Ų112.582%0.82275%0.747SS**  trans-62125.4-176.4-43.50000111.3A636 G640A636-T638 PolarHBondContact O-N 2.75Å; T638-G640 PolarHBondContact O-N 2.66Å
639P40.7Very low42.8Very low127 Ų127115.5 Ų115.583%0.82576%0.759SS**  trans-78.195.9-179.330.5-34000112.1
640G33.4Very low42.3Very low67 Ų67116.6 Ų116.669%0.69177%0.766SS**  trans92125.315300000118T638T638-G640 PolarHBondContact O-N 2.66Å
641S35.2Very low41.7Very low127 Ų127113.4 Ų113.489%0.88877%0.771SS**  -177.4155.1114.946.20000111.3
642G32.5Very low41.4Very low75 Ų75114.1 Ų114.177%0.77378%0.784SS**  trans69.486.8157.900000117.7
643L42Very low41.2Very low164 Ų164118.3 Ų118.386%0.85980%0.795SS**  trans-117.9102.7168.4-150.5174.9000109.4
644P43.5Very low41Very low116 Ų116120.5 Ų120.575%0.75380%0.797SS**PPolyproline II helixtrans-87.3132.5170.833.2-30.1000110.3
645A38.9Very low40.8Very low89 Ų89115.6 Ų115.674%0.73680%0.796SS**PPolyproline II helixtrans-98.3143.3-177.700000112.5
646P48.9Very low39.9Very low114 Ų114118.1 Ų118.174%0.7480%0.803SS**PPolyproline II helixtrans-74.9159.9158.133.8-32.8000110.7
647P45.9Very low39.4Very low120 Ų120117 Ų11778%0.77979%0.794SS**PPolyproline II helixtrans-76.8163.1-171.732.2-36.7000113.6
648A34.9Very low39.7Very low94 Ų94118.9 Ų118.978%0.77780%0.796SS**  trans-109.1125.2166.800000109.4
649D44.7Very low39.4Very low162 Ų162121.4 Ų121.487%0.86680%0.795SS**  trans-90.5158.2168.5-79-51.8000111.3
650T42.9Very low39.1Very low121 Ų121121 Ų12174%0.74279%0.791SS**  trans-112.6144.9-153.545.70000116.3
651C35.3Very low39.5Very low131 Ų131126.5 Ų126.589%0.88580%0.798SS**  trans62.1139.4143-64.20000122
652G37.4Very low39.3Very low74 Ų74130.1 Ų130.176%0.76380%0.798SS**  trans103.9138153.700000114.9
653E42.5Very low39.7Very low188 Ų188134.1 Ų134.188%0.87980%0.801SS**  cis-153.7177.1-9.1-165.9159.886.900108.7
654D39.1Very low39.6Very low163 Ų163131.8 Ų131.887%0.87280%0.796SS**  trans-63158.3-176.8-59.8-90.5000114.9
655G36.9Very low39Very low73 Ų73130.8 Ų130.875%0.75380%0.797SS**  trans-166.516.5-171.200000121.9
656D37.3Very low39Very low171 Ų171134.6 Ų134.691%0.91480%0.804SS**  trans56.2-176.5163.5-1535.4000119
657A35.4Very low38.3Very low76 Ų76138 Ų13863%0.62881%0.81SS**  trans-86.8151.5-161.500000115
658S43Very low37.9Very low110 Ų110137.4 Ų137.477%0.76981%0.809SS**  -167.5158.495.2-85.10000116.1
659K37.6Very low38.5Very low187 Ų187138.7 Ų138.781%0.81381%0.809SS**  trans-18.7146.7161.1-58.4152.2-174.4166.40114.5
660T33.7Very low38.6Very low118 Ų118135.2 Ų135.272%0.72480%0.803SS**  -173152.589.4-78.80000114.2
661H41.1Very low39Very low183 Ų183134.9 Ų134.985%0.84780%0.803SS**  trans53.3101.9170.3-71.2-48.9000120.6
662K32Very low39.3Very low204 Ų204131.8 Ų131.889%0.88779%0.787SS**PPolyproline II helixtrans-100.3119.4160.3178.4-178.8-177.7179.80108.8
663L40.6Very low39.5Very low158 Ų158136.7 Ų136.783%0.82779%0.789SS**PPolyproline II helixtrans-82.7151.7167.6-76.4172.2000110.4
664P39.2Very low39.5Very low116 Ų116137.7 Ų137.775%0.75379%0.786SS**PPolyproline II helixtrans-74.3138.9-169.329.2-34.8000112.3L666P664-L666 PolarHBondContact O-N 3.49Å
665A32.7Very low40Very low94 Ų94135.4 Ų135.478%0.77778%0.779SS**PPolyproline II helixtrans-70.7122.2166.100000108.7E667A665-E667 PolarHBondContact O-N 2.76Å
666L37.9Very low40.3Very low170 Ų170136 Ų13689%0.8977%0.772SS**PPolyproline II helixtrans-71.1119.6173-158.980.6000108.2P664 S668P664-L666 PolarHBondContact O-N 3.49Å; L666-S668 PolarHBondContact O-N 2.86Å
667E33.2Very low41Very low184 Ų184134.7 Ų134.786%0.8676%0.763SS**PPolyproline II helixtrans-63.6125.2178.1-69-172.8125.200110.4A665A665-E667 PolarHBondContact O-N 2.76Å
668S37.8Very low41.6Very low109 Ų109139.3 Ų139.376%0.76277%0.769SS**PPolyproline II helixtrans-63.8129.6170.5-48.50000109L666 A670L666-S668 PolarHBondContact O-N 2.86Å; S668-A670 PolarHBondContact O-N 3.42Å
669P47.9Very low42.1Very low121 Ų121140.4 Ų140.479%0.78677%0.766SS**PPolyproline II helixtrans-60132.2172.925.9-33.4000109.1
670A46.5Very low42.9Very low89 Ų89138.7 Ų138.774%0.73676%0.758SS**PPolyproline II helixtrans-55.7136.1-179.600000110.3S668 A672S668-A670 PolarHBondContact O-N 3.42Å; A670-A672 PolarHBondContact O-N 2.8Å
671P52.5Low43.8Very low113 Ų113138.9 Ų138.973%0.73476%0.755SS**  trans-57.2113.4179.4-25.834.9000110.9H673P671-H673 PolarHBondContact O-CD2 2.87Å; P671-H673 PolarHBondContact O-N 2.9Å; P671-H673 VanDerWaalsContact O-N 3.07Å
672A41.5Very low44.3Very low66 Ų66138.9 Ų138.955%0.54575%0.753SS.*  trans-63.7113176.500000109A670 Y674A670-A672 PolarHBondContact O-N 2.8Å; A672-Y674 HydrophobicContact CB-CD2 3.84Å; A672-Y674 HydrophobicContact CB-CE2 3.48Å; A672-Y674 VanDerWaalsContact CB-CE2 3.48Å; A672-Y674 WeakPolarHBondContact O-CD2 3.38Å; A672-Y674 PolarHBondContact O-N 2.76Å
673H40.7Very low45.4Very low177 Ų177136.4 Ų136.482%0.81975%0.748SS**  trans-71.975178.7-77.7-90.2000110.7P671 T675P671-H673 PolarHBondContact O-CD2 2.87Å; P671-H673 PolarHBondContact O-N 2.9Å; P671-H673 VanDerWaalsContact O-N 3.07Å; H673-T675 PolarHBondContact O-N 2.76Å
674Y42.8Very low46.3Very low209 Ų209134 Ų13482%0.8274%0.743SS**  trans-68.980.5170.3-71.8-75.4000110.4A672 S676A672-Y674 HydrophobicContact CB-CD2 3.84Å; A672-Y674 HydrophobicContact CB-CE2 3.48Å; A672-Y674 VanDerWaalsContact CB-CE2 3.48Å; A672-Y674 WeakPolarHBondContact O-CD2 3.38Å; A672-Y674 PolarHBondContact O-N 2.76Å; Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 3.39Å
675T50.3Low47.3Very low115 Ų115134.7 Ų134.771%0.70674%0.744SS**  trans-69.390.6159.253.30000107.7H673 I677H673-T675 PolarHBondContact O-N 2.76Å; T675-I677 PolarHBondContact O-N 2.69Å
676S42.5Very low49.1Very low87 Ų87136 Ų13661%0.60874%0.742SS**  trans-6981.5169.6610000109.1Y674 F678Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 3.39Å; S676-F678 PolarHBondContact O-N 3.23Å
677I51.7Low50.5Low142 Ų142132.1 Ų132.173%0.72873%0.727SS**  trans-61.895.2157.1-53.7175.1000104.8T675 L679T675-I677 PolarHBondContact O-N 2.69Å; I677-L679 PolarHBondContact O-N 2.97Å
678F48.9Very low51.3Low174 Ų174130 Ų13076%0.76372%0.717SS**  trans-64.592.5163-79.3-82000106.6S676 K680S676-F678 PolarHBondContact O-N 3.23Å; F678-K680 PolarHBondContact O-N 3.43Å
679L52.9Low52.9Low133 Ų133130.2 Ų130.270%0.69672%0.716SS**  trans-58.4101.7156.3-155.870000104.2I677 D681I677-L679 PolarHBondContact O-N 2.97Å; L679-D681 WeakPolarHBondContact CD2-OD1 3.4Å; L679-D681 PolarHBondContact O-N 3.01Å
680K54.5Low53.5Low150 Ų150134.9 Ų134.965%0.65272%0.719SS**  trans-75.278.2178.7-16894.4170-164.80104.8F678 F682F678-K680 PolarHBondContact O-N 3.43Å; K680-F682 VanDerWaalsContact C-N 3.35Å; K680-F682 WeakPolarHBondContact O-CD2 3.22Å; K680-F682 WeakPolarHBondContact O-CE2 3.44Å; K680-F682 PolarHBondContact O-N 3.06Å
681D52.4Low54.1Low123 Ų123136.4 Ų136.466%0.65871%0.711SS**  trans-56104.8176.6-70.5-25.6000106.7L679 L683L679-D681 WeakPolarHBondContact CD2-OD1 3.4Å; L679-D681 PolarHBondContact O-N 3.01Å; D681-L683 PolarHBondContact O-N 3.02Å
682F51.5Low54.5Low183 Ų183136 Ų13680%0.80371%0.711SS**  trans-70.889.6-176.2-73.4-89.7000106.9K680 P684K680-F682 VanDerWaalsContact C-N 3.35Å; K680-F682 WeakPolarHBondContact O-CD2 3.22Å; K680-F682 WeakPolarHBondContact O-CE2 3.44Å; K680-F682 PolarHBondContact O-N 3.06Å; F682-P684 VanDerWaalsContact O-N 3.13Å
683L56.4Low55.6Low151 Ų151139 Ų13979%0.79173%0.725SS**  trans-46123158.5-67.4179000106.1D681 V685D681-L683 PolarHBondContact O-N 3.02Å; L683-V685 PolarHBondContact O-N 2.94Å; L683-V685 VanDerWaalsContact O-N 3.13Å
684P58.5Low56.2Low109 Ų109139.3 Ų139.371%0.70873%0.727SS**  trans-57.4126-172.321.9-32.7000108.3F682 V686F682-P684 VanDerWaalsContact O-N 3.13Å; P684-V686 VanDerWaalsContact C-N 3.34Å; P684-V686 PolarHBondContact O-N 3.33Å
685V60.7Low56.9Low129 Ų129134.4 Ų134.478%0.78272%0.721SS**  trans-63.1101.4175.9177.80000106.6L683 P687L683-V685 PolarHBondContact O-N 2.94Å; L683-V685 VanDerWaalsContact O-N 3.13Å; V685-P687 WeakPolarHBondContact O-CD 3.4Å
686V70.9Confident56.6Low121 Ų121134.5 Ų134.573%0.73373%0.726SS**  trans-71.2108.7172.3179.30000105.8P684 H688P684-V686 VanDerWaalsContact C-N 3.34Å; P684-V686 PolarHBondContact O-N 3.33Å; V686-H688 PolarHBondContact O-N 3.08Å
687P67.1Low56.6Low89 Ų89138.1 Ų138.158%0.57874%0.738SS**  trans-61.8136.9-179.127.3-34.3000108.6V685V685-P687 WeakPolarHBondContact O-CD 3.4Å
688H48.8Very low56.1Low140 Ų140140.1 Ų140.165%0.64874%0.743SS**  trans-64.4144.4176.5-90.9-59.3000109.6V686 Y690 E691V686-H688 PolarHBondContact O-N 3.08Å; H688-Y690 PolarHBondContact O-N 2.84Å; H688-E691 HydrophobicContact CB-CB 4.25Å; H688-E691 PolarHBondContact N-OE2 2.84Å; H688-E691 VanDerWaalsContact O-CB 3.3Å; H688-E691 WeakPolarHBondContact O-CB 3.45Å; H688-E691 PolarHBondContact O-N 2.89Å
689P72.7Confident55.8Low114 Ų114136.6 Ų136.674%0.7475%0.746SS**THydrogen-bonded Turntrans-68.411-176.628.4-36.3000115.1
690Y60.7Low55.3Low218 Ų218136.4 Ų136.486%0.85575%0.751SS**THydrogen-bonded Turntrans-125.32.6173.8-63.2-78000112.6H688H688-Y690 PolarHBondContact O-N 2.84Å
691E57.4Low54.8Low121 Ų121134.5 Ų134.557%0.56575%0.754SS**  trans-90.9110.7-178.9-166.9161-143.600108.9H688H688-E691 HydrophobicContact CB-CB 4.25Å; H688-E691 PolarHBondContact N-OE2 2.84Å; H688-E691 VanDerWaalsContact O-CB 3.3Å; H688-E691 WeakPolarHBondContact O-CB 3.45Å; H688-E691 PolarHBondContact O-N 2.89Å
692S60.6Low54.8Low104 Ų104137.8 Ų137.873%0.72776%0.762SS**PPolyproline II helixtrans-70.4129.1-178.552.10000110.5E694S692-E694 PolarHBondContact O-N 2.95Å
693P66.5Low54.2Low130 Ų130136.2 Ų136.284%0.84476%0.763SS**PPolyproline II helixtrans-63.5122.6-175.125-34.2000111.8
694E51.9Low53.5Low184 Ų184133.2 Ų133.286%0.8676%0.76SS**PPolyproline II helixtrans-73.5128.6174.3-171.2172.9-139.400110S692 S696S692-E694 PolarHBondContact O-N 2.95Å; E694-S696 PolarHBondContact O-N 2.79Å
695P58.8Low52.6Low106 Ų106133 Ų13369%0.68876%0.761SS**  trans-74.1111.6-175.328.1-33.9000111.9L697P695-L697 PolarHBondContact O-N 3.46Å; P695-L697 VanDerWaalsContact O-N 3.1Å
696S42.5Very low51.7Low117 Ų117135.1 Ų135.182%0.81876%0.762SS**  trans-74.295.5-178.645.70000113.1E694 H698E694-S696 PolarHBondContact O-N 2.79Å; S696-H698 VanDerWaalsContact C-N 3.32Å; S696-H698 PolarHBondContact O-N 3.17Å
697L43.7Very low50.3Low163 Ų163134.6 Ų134.685%0.85376%0.764SS**  trans-75.873.4176.7-66177.5000112.6P695P695-L697 PolarHBondContact O-N 3.46Å; P695-L697 VanDerWaalsContact O-N 3.1Å
698H41.3Very low49Very low183 Ų183135.9 Ų135.985%0.84778%0.775SS**  trans-151.771.5172.8-121.6-76.6000114.6S696S696-H698 VanDerWaalsContact C-N 3.32Å; S696-H698 PolarHBondContact O-N 3.17Å
699A41.9Very low48.7Very low100 Ų100132.9 Ų132.983%0.82678%0.782SS**  trans-139.1133.1164.300000110.2
700T42.7Very low47.4Very low129 Ų129134.1 Ų134.179%0.79179%0.787SS**  trans-96.2133.9-16847.30000114.1
701P44.6Very low46.9Very low111 Ų111129.7 Ų129.772%0.72179%0.785SS**  trans-76.5160.816533.7-34.4000111.7
702K50.8Low46.5Very low191 Ų191135.8 Ų135.883%0.8380%0.803SS**  trans-137.7104.3-165.9-172.8176.8178.3-176.40115.3
703D40.3Very low46.1Very low151 Ų151142.7 Ų142.781%0.80781%0.813SS**  trans75157.3143.6-136.1-19000121.6
704A40.2Very low45Very low88 Ų88143.5 Ų143.573%0.72780%0.799SS**  trans66.2139.7168.400000120.4
705S40.7Very low44.9Very low105 Ų105139.1 Ų139.173%0.73479%0.794SS**  cis-167164.2-16.667.30000114.1
706Q42Very low44.4Very low173 Ų173141.3 Ų141.381%0.80880%0.795SS**  trans63.2102.6155.7-62.5-67-6.400122.3
707S41.8Very low44.5Very low109 Ų109142 Ų14276%0.76279%0.789SS**  -178.493.6119.458.90000114.3
708S38.9Very low44.9Very low117 Ų117140 Ų14082%0.81879%0.789SS**  trans35.9112.9132.459.50000121.9
709G43.5Very low45.1Very low77 Ų77137.5 Ų137.579%0.79479%0.787SS**  trans-171.635.3175.900000120.1
710V45.4Very low45.5Very low139 Ų139137 Ų13784%0.84278%0.783SS**  trans44.2106.7164.8-170.10000119.3
711P48.5Very low45.7Very low125 Ų125139 Ų13981%0.81278%0.78SS**  trans-101.3161.718038.8-35000115.3
712R50.9Low46.4Very low249 Ų249139.8 Ų139.894%0.9479%0.786SS**  trans-146.478.2170.6-156.9168.5-173.6146.20.9117.4
713R51.3Low46.2Very low249 Ų249139.8 Ų139.894%0.9479%0.786SS**  trans56.6151.7150.7-69.9-169.9171.5-166.7-3.5121.6
714R43.2Very low46.7Very low148 Ų148136.2 Ų136.256%0.55878%0.778SS**  trans-106.8163.4-177.9-55.9173.3-179.4-103.612111.6H34H34-R714 VanDerWaalsContact CB-NH1 3.25Å; H34-R714 PolarHBondContact CD2-NH1 3.08Å
715A50.1Low47.2Very low91 Ų91144 Ų14475%0.75279%0.788SS**  trans-169.1153.3151.500000106.6
716E49.1Very low47.4Very low152 Ų152144 Ų14471%0.7179%0.788SS**  cis-166.3157.8-32.1-116.5166.5-116.200104
717N43.6Very low47.8Very low131 Ų131142.2 Ų142.270%0.70178%0.78SS**  trans-43.5136.7-178.650.2-59.5000116.8
718S51.7Low48.4Very low122 Ų122144.1 Ų144.185%0.85378%0.78SS**  trans-141.2145.1159.3-169.30000113.3
719T46.6Very low49Very low131 Ų131148.2 Ų148.280%0.80478%0.777SS**  trans-88.6156-175.9-62.70000111.5
720A49.4Very low49.3Very low88 Ų88151.5 Ų151.573%0.72778%0.776SS**  trans91.5129.3162.600000119.4
721K47.4Very low49.9Very low171 Ų171150.4 Ų150.474%0.74377%0.772SS**  trans33.1126.3151.3-61.9-179.9179.5177.80119.6F723K721-F723 HydrophobicContact CD-CD2 4.25Å; K721-F723 HydrophobicContact CG-CD2 4.17Å
722P58.6Low49.6Very low129 Ų129147.9 Ų147.984%0.83877%0.769SS**  -113.899.1127.333.5-28.5000111.5
723F46.2Very low49Very low191 Ų191139 Ų13984%0.83875%0.749SS**  trans-99.574.9158.3-87.6-78.7000108.4K721K721-F723 HydrophobicContact CD-CD2 4.25Å; K721-F723 HydrophobicContact CG-CD2 4.17Å
724A52.5Low48.7Very low76 Ų76135.5 Ų135.563%0.62875%0.748SS**  trans-159.3124.1173.400000111.3
725R48.8Very low48.6Very low250 Ų250131.8 Ų131.894%0.94375%0.749SS**  trans68.7150.1174.6-48.7154.286.5163.84.3112.5
726S45.6Very low48.3Very low106 Ų106137.8 Ų137.874%0.74176%0.758SS**  cis-133.1162.93.451.10000112.6I728S726-I728 PolarHBondContact O-N 2.84Å
727E51.9Low47.9Very low135 Ų135134.2 Ų134.263%0.63176%0.762SS**  trans-62.1115.7172.5179.6179.9-115.400110.8R729E727-R729 VanDerWaalsContact C-N 3.31Å; E727-R729 HydrophobicContact CG-CG 4.1Å; E727-R729 PolarHBondContact O-N 2.89Å; E727-R729 IonicContact OE2-CZ 3.61Å; E727-R729 IonicContact OE2-NE 3.61Å; E727-R729 PolarHBondContact OE2-NE 3.34Å; E727-R729 IonicContact OE2-NH2 3.57Å; E727-R729 PolarHBondContact OE2-NH2 2.91Å
728I53.2Low47.6Very low150 Ų150137.4 Ų137.477%0.76977%0.773SS**  trans-74.584.7177.4-54.2178.1000109.3S726 L730S726-I728 PolarHBondContact O-N 2.84Å; I728-L730 HydrophobicContact CG2-CD2 4.11Å; I728-L730 PolarHBondContact O-N 3.38Å
729R50.9Low47Very low202 Ų202143.5 Ų143.576%0.76278%0.777SS**  trans-72.291.8171.1-67.8-169.7-179.9-160.8-5.2110.2E727 P731E727-R729 VanDerWaalsContact C-N 3.31Å; E727-R729 HydrophobicContact CG-CG 4.1Å; E727-R729 PolarHBondContact O-N 2.89Å; E727-R729 IonicContact OE2-CZ 3.61Å; E727-R729 IonicContact OE2-NE 3.61Å; E727-R729 PolarHBondContact OE2-NE 3.34Å; E727-R729 IonicContact OE2-NH2 3.57Å; E727-R729 PolarHBondContact OE2-NH2 2.91Å; R729-P731 WeakPolarHBondContact O-CD 3.27Å
730L51.3Low46.7Very low146 Ų146147.5 Ų147.576%0.76478%0.778SS**  trans-60.7128.1168.3-63177.1000109.9I728 G732I728-L730 HydrophobicContact CG2-CD2 4.11Å; I728-L730 PolarHBondContact O-N 3.38Å; L730-G732 PolarHBondContact O-N 3.07Å
731P56.8Low46.3Very low117 Ų117149.7 Ų149.776%0.7677%0.773SS**  trans-65.993.3174.7-24.636.3000112.2R729R729-P731 WeakPolarHBondContact O-CD 3.27Å
732G42.5Very low46Very low72 Ų72149.8 Ų149.874%0.74277%0.773SS**  trans-60.7139.5172.200000111.3L730L730-G732 PolarHBondContact O-N 3.07Å
733A38.6Very low45.1Very low63 Ų63149.9 Ų149.952%0.52177%0.772SS.*  trans-80.3127.5-17900000111.4
734L45.4Very low45.1Very low175 Ų175146.1 Ų146.192%0.91677%0.766SS**  trans-127.5127.1156.1-72.3176.4000108.3
735A40.1Very low44.5Very low70 Ų70147.8 Ų147.858%0.57977%0.774SS**  trans-90.4158.1160.200000108.8
736F44.4Very low44.3Very low216 Ų216141.6 Ų141.695%0.94776%0.763SS**  trans162146.5135.1-85.1-57000110.9
737G40.5Very low44.2Very low78 Ų78144.7 Ų144.780%0.80477%0.766SS**  trans89.590.8156.200000117.9
738Q38Very low43.9Very low198 Ų198149.5 Ų149.593%0.92578%0.778SS**  trans-83.1136.9149.5-72.2-177.4-12.800110
739R39.1Very low43.5Very low250 Ų250153.9 Ų153.994%0.94379%0.785SS**  trans-156.2165.1146.8-136.6172.3-177.9-106.71.1110.7
740R39.9Very low43.1Very low215 Ų215147.5 Ų147.581%0.81178%0.783SS**  trans-141162.3-159.7-159.9-169-162.8-166.87.2111.1
741E41.3Very low43Very low134 Ų134147.1 Ų147.163%0.62679%0.789SS**  trans74.8131.9158.2-128.4172.6111.300115.9
742K40.8Very low42.2Very low173 Ų173145.3 Ų145.375%0.75279%0.792SS**  -168.7-176.752-149.2141.7-172.91450113
743T39.4Very low42.2Very low130 Ų130145.2 Ų145.280%0.79879%0.79SS**  trans-143.9-175.2-174.40.10000109.5
744P47.2Very low42.5Very low112 Ų112151.3 Ų151.373%0.72781%0.808SS**  cis-141.2-157.1-0.942.6-20.9000116.3
745S38.9Very low42.2Very low112 Ų112150.3 Ų150.378%0.78380%0.804SS**  trans99.4147.1156.382.80000119
746V43.9Very low42.3Very low120 Ų120151.6 Ų151.673%0.72781%0.806SS**  cis-159145.9-14.21220000112.8
747Q43.4Very low42.1Very low170 Ų170149 Ų14979%0.79480%0.802SS**  trans19.5135.4158.8-52.1177.562.800122
748R45.9Very low42.3Very low236 Ų236149.5 Ų149.589%0.89180%0.799SS**  -168.2145.476.3-126.7-175.6-174.2-149.13.3115.7
749R45.2Very low42.5Very low242 Ų242149.1 Ų149.191%0.91380%0.797SS**  trans-27.9141.1157.4176.4-165.6-66.7-132.32.5114.9
750G42.8Very low42.4Very low69 Ų69140.6 Ų140.671%0.71178%0.78SS**  cis125.9173.412.100000110.6
751P48.5Very low42.6Very low138 Ų138138 Ų13890%0.89678%0.777SS**  cis-127.7174.1-1842.6-27.7000114.6
752G39.7Very low42.4Very low79 Ų79141.7 Ų141.781%0.81479%0.785SS**  trans130144.2160.100000115.9
753G42.9Very low42.5Very low69 Ų69141.1 Ų141.171%0.71179%0.789SS**  trans9095.2168.300000117.2
754E45.3Very low42.8Very low191 Ų191140.9 Ų140.989%0.89379%0.788SS**  trans40.4106.5135.3-68.4154.2-11600121.9
755N39.7Very low42.7Very low155 Ų155147.6 Ų147.683%0.82980%0.798SS**  trans72.5113.5134.9-144.828.9000121.1
756P42.1Very low43.2Very low97 Ų97149.4 Ų149.463%0.6380%0.799SS**  trans-86.7-177.6166.141.6-37.2000111
757D38.6Very low43.7Very low162 Ų162147.9 Ų147.987%0.86679%0.792SS**  cis-129.2144.112.3-78.7-72.9000112.4
758A44.8Very low44.1Very low88 Ų88148.8 Ų148.873%0.72780%0.796SS**  trans-126.3121.5170.300000109
759E42.3Very low44Very low189 Ų189141 Ų14188%0.88379%0.789SS**  93.4163.6105-170.6165.5-147.500112.4
760A38.2Very low44.2Very low72 Ų72141.4 Ų141.460%0.59579%0.79SS**  trans-135.9147.8-171.600000112
761Q42.8Very low44.5Very low159 Ų159144.2 Ų144.274%0.74379%0.794SS**  trans154.9117.3130.3-82161103.900115.9
762R37.1Very low44Very low213 Ų213143.1 Ų143.180%0.80479%0.789SS**  trans68.6156.3131.6-59174.2-179.9-92.50122.3
763L44.6Very low44.7Very low160 Ų160145 Ų14584%0.83879%0.787SS**  trans76.5156.7166.1-61.1121000118.3
764V44.4Very low44.8Very low126 Ų126149.8 Ų149.876%0.76480%0.796SS**  cis176.7126.8-49.7139.60000109.9
765R45.5Very low44.5Very low252 Ų252144.1 Ų144.195%0.95179%0.789SS**  trans-177.6179.8146-110.4175.5172.6134.1-0.4115
766D50.4Low44.5Very low150 Ų150140.5 Ų140.580%0.80279%0.788SS**  trans-147.3-172.3-160.4-150.814.7000107.4
767P53.7Low44.3Very low88 Ų88139.8 Ų139.857%0.57179%0.79SS**  cis-134.9-163.1-15.931.6-7000114
768E50.8Low44.4Very low190 Ų190143.1 Ų143.189%0.88879%0.791SS**  149.7142.8129.1-81.4170-16500117.8
769G44.8Very low44Very low71 Ų71145.4 Ų145.473%0.73280%0.795SS**  trans121.971.7141.500000124.5
770R49.6Very low43.7Very low252 Ų252141.3 Ų141.395%0.95179%0.788SS**  trans61.2158.5152-58.5-175.2172.8-135.8-2.4118.9
771T48.9Very low43.6Very low127 Ų127143.2 Ų143.278%0.77979%0.792SS**  cis-132.6152.47.147.50000113.2
772S37.5Very low43.2Very low115 Ų115143.9 Ų143.980%0.80480%0.795SS**  trans-106.8-155.4170.5-35.40000110.5
773P55.3Low43Very low119 Ų119138.2 Ų138.277%0.77379%0.787SS**  cis-88.9-151.4-2.840-36.4000112.4
774L43.6Very low42.6Very low170 Ų170136 Ų13689%0.8979%0.785SS**  cis-156.3160.93.8-165.960.9000108.3
775G39.3Very low42.3Very low72 Ų72136 Ų13674%0.74279%0.788SS**  cis-168.8-81.8-7.800000113.3
776G39.5Very low41.8Very low78 Ų78131.2 Ų131.280%0.80478%0.78SS**  trans176.5-172.1-168.600000117.6
777A37.9Very low40.9Very low83 Ų83131.5 Ų131.569%0.68678%0.777SS**  cis-170.4167.4-13.100000111.6
778R41.9Very low40.1Very low232 Ų232132.4 Ų132.488%0.87579%0.785SS**  trans67.1163.9155.2-72.8156.5-175.5-116.71.5117.7
779T36.2Very low39.3Very low135 Ų135130.3 Ų130.383%0.82879%0.786SS**  cis-153.9174-37.518.60000109.7
780S36.2Very low39Very low104 Ų104129.9 Ų129.973%0.72778%0.781SS**  trans-68.2167.2176.9174.90000116.2
781T34.9Very low38.5Very low111 Ų111124.6 Ų124.668%0.68178%0.777SS**  trans107120.6137.4-11.20000120.7
782Q34.7Very low38.1Very low174 Ų174129.5 Ų129.581%0.81378%0.781SS**  trans73.7150.5139.5-100.4-179.55.500124.6
783C33.2Very low38.6Very low94 Ų94128.8 Ų128.864%0.63577%0.774SS**  trans64.799144.6-66.10000122
784S36.4Very low38.1Very low114 Ų114128.9 Ų128.980%0.79777%0.774SS**  62.2150.1127.652.60000121.5
785P38.1Very low37.9Very low126 Ų126131.5 Ų131.582%0.81877%0.773SS**  trans-97.3147.8-169.737.6-33.8000114.1
786L36.2Very low38.1Very low150 Ų150134 Ų13479%0.78578%0.776SS**  trans-151.6151.1153.8-157.659.8000111
787E31.5Very low37.9Very low156 Ų156134.1 Ų134.173%0.72978%0.776SS**  trans9.1123.4163.7-68.7154.1-177.900119.7
788S35Very low37.9Very low108 Ų108135.8 Ų135.876%0.75578%0.783SS**  82.8142.558.5-69.60000115
789T35.8Very low37.9Very low145 Ų145129.9 Ų129.989%0.8978%0.775SS**  trans80.6131.7169.8-32.40000116.2
790G37Very low37.8Very low62 Ų62132.1 Ų132.164%0.63978%0.776SS**  cis144.8123.7-19.100000115.9
791T40.7Very low37.8Very low141 Ų141131.6 Ų131.687%0.86578%0.778SS**  trans-170.1136.716228.90000108.6
792R40.6Very low37.7Very low231 Ų231132 Ų13287%0.87278%0.784SS**  cis-133.9165.7-9.8-92.3-169.179175.93.8110.9
793P46.6Very low38Very low99 Ų99129 Ų12964%0.64378%0.779SS**  trans-100.6-166.5-166.70.125.7000112.8
794P44.9Very low37.9Very low121 Ų121131.1 Ų131.179%0.78679%0.785SS**  cis-125.6164.810.345.7-31.1000114.8
795R39.9Very low37.8Very low226 Ų226130.6 Ų130.685%0.85378%0.781SS**  cis69155.436.9-83.9-164.5-179-1613.6114.9
796P42.5Very low37.6Very low125 Ų125129.6 Ų129.681%0.81278%0.777SS**  cis-128.1178.5-27.538-22.2000112.7
797G36.9Very low37.7Very low79 Ų79130.3 Ų130.381%0.81478%0.78SS**  trans167.671.3171.400000116.7
798S37.1Very low37.9Very low118 Ų118134 Ų13483%0.82579%0.788SS**  trans-103.4173.6166.9-28.70000109.7
799P42.7Very low38.2Very low109 Ų109133.9 Ų133.971%0.70879%0.793SS**  cis-133.6-162-17.233.1-10.9000112.6
800Q33.4Very low38Very low182 Ų182131.5 Ų131.585%0.8579%0.789SS**  trans85152.1140.2-163.2170-0.400120.2
801A35.9Very low38.3Very low93 Ų93133.3 Ų133.377%0.76979%0.789SS**  trans72.1132.9171.200000119.1
802C31.9Very low38.3Very low119 Ų119134.7 Ų134.780%0.80479%0.786SS**  trans-70.4152.2156.2-49.20000108.7
803P42.7Very low38.4Very low110 Ų110131.1 Ų131.171%0.71478%0.783SS**  -150.2156.293.739.2-23.2000116.9
804N30.8Very low38.2Very low140 Ų140134.2 Ų134.275%0.74979%0.789SS**  12.1152.8123.4-37.6-7000119.6
805S33.6Very low37.7Very low103 Ų103133.6 Ų133.672%0.7278%0.783SS**  trans88.5128.9176.7-37.20000112.7
806S34Very low37.6Very low105 Ų105128.3 Ų128.373%0.73478%0.778SS**  cis69.215539.695.20000113.1
807L37.9Very low37.6Very low164 Ų164130.4 Ų130.486%0.85978%0.781SS**  trans83.4141.6-149.6-58.9169000111.9
808R35.7Very low37.8Very low234 Ų234133 Ų13388%0.88378%0.781SS**  cis-169.3123.3-4.4161.7-166.3-150-177.68.2110.8
809A41.6Very low37.8Very low105 Ų105131.3 Ų131.387%0.86878%0.775SS**  trans-171.9124.5134.800000111.1
810A32.4Very low37.8Very low96 Ų96132.2 Ų132.279%0.79378%0.78SS**  trans-144.8175.1164.500000104.9
811P42.8Very low38Very low100 Ų100127.6 Ų127.665%0.64977%0.773SS**  cis-138-163.99.543-23.6000114.4
812E39.9Very low38.1Very low170 Ų170130.1 Ų130.179%0.79478%0.78SS**  trans45.8117.1147.7-70.8159.312200120.8
813L43.4Very low38.3Very low156 Ų156129.1 Ų129.182%0.81778%0.779SS**  -164154.897.5-101165.7000113.7
814E41.7Very low38.3Very low163 Ų163130.9 Ų130.976%0.76279%0.788SS**  trans-27.5166.9158.9-70.8-163.177.300119.5
815T35.4Very low38.8Very low108 Ų108133.1 Ų133.166%0.66379%0.794SS**  cis-166.9149-10.4-94.10000106.7
816P37.3Very low38.5Very low116 Ų116133 Ų13375%0.75380%0.799SS**  trans-97.6146.4-162.835.9-36000116.6
817L41.8Very low38.9Very low168 Ų168133.3 Ų133.388%0.8880%0.799SS**  trans-161.1158156.5-146.870.2000114.1
818V42.7Very low38.9Very low133 Ų133133.8 Ų133.881%0.80680%0.801SS**  trans73.2116.8164.2-168.10000118.9
819A37Very low38.7Very low84 Ų84129.2 Ų129.269%0.69479%0.794SS**  trans-108.5173.1156.800000108.1
820P41.8Very low39.1Very low127 Ų127129.9 Ų129.983%0.82579%0.789SS**  cis-146.7-150.52443.9-21.3000115.3
821A38.4Very low39.4Very low85 Ų85132.1 Ų132.170%0.70279%0.788SS**  trans88.475.4158.500000120.3
822T36.7Very low38.8Very low147 Ų147136.3 Ų136.390%0.90280%0.798SS**  44.691.5122.2-44.30000120.2
823A37.5Very low39.4Very low97 Ų97134.1 Ų134.180%0.80280%0.799SS**  trans-163.3114.3138.900000111.1
824V42.3Very low38.8Very low148 Ų148131.4 Ų131.490%0.89780%0.799SS**  trans-127.5113.6170.7178.30000109.4
825Q41Very low39.1Very low187 Ų187130.5 Ų130.587%0.87480%0.804SS**  trans-85.6154.8166-61.7-177.657.600109.5
826A28Very low39.2Very low100 Ų100129.5 Ų129.583%0.82681%0.807SS**  trans-107.5118.4179.200000112
827P41.6Very low39.1Very low112 Ų112128.9 Ų128.973%0.72781%0.812SS**  trans-90.7119.91592.717.6000108.9
828L38.8Very low39.1Very low173 Ų173133.1 Ų133.191%0.90682%0.816SS**  93.9143.580-81.8168.8000113.4
829L30.5Very low38.8Very low139 Ų139131.7 Ų131.773%0.72882%0.818SS**PPolyproline II helixtrans-101.5143.2-167.5-176.576.9000111.5
830P49.8Very low38.8Very low119 Ų119132.5 Ų132.577%0.77383%0.825SS**PPolyproline II helixtrans-95.9134.9160.3-726.8000112.4
831D38.9Very low38.7Very low143 Ų143130.8 Ų130.877%0.76582%0.821SS**PPolyproline II helixtrans-87.5163-172-78.2-62.2000116.5
832H30.6Very low39.3Very low188 Ų188132.6 Ų132.687%0.8783%0.826SS**PPolyproline II helixtrans-83.6142.5168.9-83.3-85.4000113
833P51.9Low39.6Very low124 Ų124135 Ų13581%0.80582%0.824SS**PPolyproline II helixtrans-95.7137.415233.9-28.8000111.6
834A32Very low39.7Very low98 Ų98136.1 Ų136.181%0.8182%0.823SS**PPolyproline II helixtrans-103.6167176.600000112.2
835T46.5Very low39.3Very low144 Ų144138.1 Ų138.188%0.88382%0.815SS**  trans-147.2141.8169.8-70.10000111.9
836A38.5Very low39Very low88 Ų88133.9 Ų133.973%0.72781%0.812SS**  trans-50.7139.1-17700000114
837A35.7Very low39.5Very low102 Ų102134.2 Ų134.284%0.84381%0.814SS**  cis86.8116.343.500000115.2
838R40.6Very low39.1Very low258 Ų258134.8 Ų134.897%0.97482%0.821SS**  trans-154.5143.4155.2-145.6171.9-172.1121.41.3109.8
839A36Very low39.2Very low103 Ų103130.8 Ų130.885%0.85181%0.813SS**  trans-99.9153.3-164.700000114.7
840A37.3Very low40.1Very low101 Ų101129.7 Ų129.784%0.83581%0.814SS**  trans-140.3133.5161.600000108.7
841A40.4Very low39.9Very low90 Ų90130.3 Ų130.374%0.74482%0.818SS**PPolyproline II helixtrans-95139.8-170.500000113
842P51Low40.3Very low123 Ų123129.7 Ų129.780%0.79982%0.819SS**PPolyproline II helixtrans-79.9140171.332.3-33.1000111.9
843F43.9Very low40.6Very low199 Ų199128.3 Ų128.387%0.87382%0.819SS**PPolyproline II helixtrans-80.4138.3178.3-72-97.4000112.5
844P38.2Very low39.9Very low119 Ų119133 Ų13377%0.77382%0.82SS**PPolyproline II helixtrans-96.2127.5169.634.3-30.2000112.4
845R34.1Very low40.1Very low191 Ų191135.3 Ų135.372%0.72182%0.818SS**  trans-161.3143.8160.4-144.917318094.8-6.8114
846A36Very low39.8Very low98 Ų98133.7 Ų133.781%0.8181%0.81SS**  trans63.2110.1166.900000117.5
847A36.7Very low39.7Very low106 Ų106135.4 Ų135.488%0.87681%0.814SS**  trans-108.4114.9172.800000111
848S34.8Very low39.6Very low124 Ų124135.1 Ų135.187%0.86781%0.811SS**  trans-17043.5165.756.50000113.2
849A40.5Very low39.5Very low90 Ų90128.3 Ų128.374%0.74480%0.803SS**SBendtrans-150.5140.417300000111.4
850P49Very low39.5Very low116 Ų116128.4 Ų128.475%0.75380%0.798SS**PPolyproline II helixtrans-72.5147.3174.430.7-34.5000111.3T852P850-T852 PolarHBondContact O-N 2.68Å
851P45.5Very low39.3Very low132 Ų132132.1 Ų132.186%0.85780%0.803SS**PPolyproline II helixtrans-68.6131.7-179.328.1-33.7000111.2
852T46.3Very low38.8Very low129 Ų129131.2 Ų131.279%0.79180%0.802SS**PPolyproline II helixtrans-89.3116.1165.6-58.70000108.9P850 R854P850-T852 PolarHBondContact O-N 2.68Å; T852-R854 PolarHBondContact O-N 2.83Å
853D38.6Very low37.9Very low160 Ų160137.6 Ų137.686%0.85681%0.811SS**PPolyproline II helixtrans-64.6130.2-173.2-132.7-27.1000112.1
854R37.3Very low37.4Very low221 Ų221139.6 Ų139.683%0.83481%0.812SS**  trans-157.5100.3177.7-87-165.8174.1-1690.3110.7T852T852-R854 PolarHBondContact O-N 2.83Å
855L36Very low37.4Very low147 Ų147138.7 Ų138.777%0.7781%0.806SS**  trans-135.7143148.2-75.5-179.4000110.3
856P39.9Very low37.4Very low110 Ų110136.5 Ų136.571%0.71482%0.817SS**  trans-113.6-175.1-175.543.6-35.2000112.5
857P36.6Very low37.4Very low125 Ų125134.9 Ų134.981%0.81281%0.81SS**  trans-106.3151.513935-30000111.2
858A32.7Very low37.8Very low95 Ų95134.9 Ų134.979%0.78581%0.81SS**  trans-94.9144.1-178.100000112.7
859S38.4Very low38.6Very low115 Ų115132.9 Ų132.980%0.80480%0.801SS**  trans-164.7140.6145.7-85.90000112.4
860S36.9Very low39.3Very low105 Ų105132 Ų13273%0.73479%0.787SS**  trans41.7112.4157.859.80000121.1
861L31.6Very low39.9Very low179 Ų179130.4 Ų130.494%0.93778%0.784SS**  trans24.9112141.6-65.384.1000118.8
862G30.5Very low41.2Very low72 Ų72125 Ų12574%0.74275%0.753SS**  trans-17797.7167.500000115.9R864G862-R864 PolarHBondContact O-N 2.86Å
863R31.6Very low43Very low257 Ų257126.3 Ų126.397%0.9775%0.747SS**  trans-59.690.2173.5177-173.4177.7-1229.2111.6
864R34.2Very low45.3Very low241 Ų241122.8 Ų122.891%0.90973%0.732SS**  trans-89.2123.2-176.3-154.1170.7-166.21635.4112.6G862G862-R864 PolarHBondContact O-N 2.86Å
865P37.4Very low47.7Very low100 Ų100116.8 Ų116.865%0.64972%0.715SS**  trans-80.5165.4-17832.8-36.2000113.2G867P865-G867 PolarHBondContact O-N 3.15Å
866P33.9Very low50.3Low144 Ų144113.4 Ų113.494%0.93570%0.701SS**SBendtrans-71.490.6177.630-35.4000111.5
867G36.4Very low52.7Low64 Ų64110.2 Ų110.266%0.6668%0.678SS**  trans-163.263.5-177.600000112P865 A869P865-G867 PolarHBondContact O-N 3.15Å; G867-A869 PolarHBondContact O-N 2.91Å
868A45.5Very low55.3Low107 Ų107110.1 Ų110.188%0.88468%0.677SS**  trans-71.190.9176.700000110.7
869A50.9Low57.9Low82 Ų82114.3 Ų114.368%0.67868%0.681SS**  trans-58.4150.1162.600000110G867 A871G867-A869 PolarHBondContact O-N 2.91Å; A869-A871 PolarHBondContact O-N 2.81Å
870P55.2Low60.3Low71 Ų71111.5 Ų111.546%0.46166%0.661SS.*  trans-62.1135.717827.9-34.9000110.4G872 E887P870-G872 PolarHBondContact O-N 3.35Å; P870-E887 HydrophobicContact CB-CG 3.88Å; P870-E887 VanDerWaalsContact CB-OE1 3.22Å; P870-E887 WeakPolarHBondContact CB-OE1 3.32Å; P870-E887 HydrophobicContact CG-CG 4.28Å
871A61.8Low63Low82 Ų82108.5 Ų108.568%0.67865%0.646SS**  trans-78.465-178.300000111.2A869 A888A869-A871 PolarHBondContact O-N 2.81Å; A871-A888 WeakPolarHBondContact O-CB 3.28Å
872G73.6Confident65.7Low20 Ų20107.6 Ų107.621%0.20663%0.63CS.*  trans-69.4149167.100000111.4P870 V886P870-G872 PolarHBondContact O-N 3.35Å; G872-V886 CarbonylContact C-O 3.55Å; G872-V886 WeakPolarHBondContact CA-O 3.48Å
873K83Confident68.7Low155 Ų155112.7 Ų112.767%0.67463%0.629SS**EExtended strand (participates in β ladder)trans-108.7142.4173.6-65.5-175.9179.7-177.80108.8V886K873-V886 PolarHBondContact N-O 2.98Å; K873-V886 PolarHBondContact O-N 2.92Å
874V87Confident71.5Confident87 Ų87106 Ų10653%0.52760%0.604SS.*EExtended strand (participates in β ladder)trans-81.8122.2163.7-176.70000107.2Y883 Y884 F885V874-Y883 HydrophobicContact CG1-CD1 3.82Å; V874-Y883 HydrophobicContact CG1-CG 4.41Å; V874-Y884 WeakPolarHBondContact CA-O 3.47Å; V874-F885 HydrophobicContact CG2-CD2 4Å
875L88.9Confident74.2Confident94 Ų94101 Ų10149%0.49259%0.589SS.*EExtended strand (participates in β ladder)trans-99.7142.2166.3-58.2-176.3000107.9Y884 V886L875-Y884 PolarHBondContact N-O 2.83Å; L875-Y884 PolarHBondContact O-N 2.81Å; L875-V886 HydrophobicContact CD1-CG2 3.84Å; L875-V886 HydrophobicContact CG-CG2 4.12Å
876V89.6Confident76.5Confident76 Ų7699.5 Ų99.546%0.46158%0.578SS.*EExtended strand (participates in β ladder)trans-99.5124.9165.9-171.90000106.4R882 Y883V876-R882 WeakPolarHBondContact CA-O 3.18Å; V876-Y883 HydrophobicContact CG2-CD1 3.66Å; V876-Y883 HydrophobicContact CG2-CE1 3.49Å; V876-Y883 VanDerWaalsContact CG2-CE1 3.49Å; V876-Y883 HydrophobicContact CG2-CG 4.33Å
877D91.5Very high78.9Confident43 Ų4396.5 Ų96.523%0.2355%0.551CS.*PPolyproline II helixtrans-71.1120.7168.2166.725.5000108.9E879 S880 G881 R882 Y884D877-E879 VanDerWaalsContact C-N 3.26Å; D877-E879 PolarHBondContact O-N 3.31Å; D877-E879 PolarHBondContact OD1-N 3.35Å; D877-S880 WeakPolarHBondContact OD2-CB 3.47Å; D877-S880 PolarHBondContact OD2-N 3.19Å; D877-S880 PolarHBondContact OD2-OG 2.87Å; D877-G881 WeakPolarHBondContact O-CA 3.05Å; D877-G881 PolarHBondContact O-N 3.39Å; D877-R882 PolarHBondContact N-O 3.3Å; D877-Y884 HydrophobicContact CB-CD2 4Å; D877-Y884 HydrophobicContact CB-CE2 3.69Å
878P91.7Very high80.7Confident123 Ų12395.8 Ų95.880%0.79954%0.54SS*.THydrogen-bonded Turntrans-68.8-21.2-179.929.9-36.2000113.6
879E86Confident81.7Confident184 Ų18496.7 Ų96.786%0.8654%0.536SS*.THydrogen-bonded Turntrans-84.1-45.7-177.2-63.2-172.6173.700112.1D877D877-E879 VanDerWaalsContact C-N 3.26Å; D877-E879 PolarHBondContact O-N 3.31Å; D877-E879 PolarHBondContact OD1-N 3.35Å
880S89.9Confident82.5Confident55 Ų5598.2 Ų98.239%0.38553%0.525SS..THydrogen-bonded Turntrans-97.6-7.917873.40000115.2D877 R882D877-S880 WeakPolarHBondContact OD2-CB 3.47Å; D877-S880 PolarHBondContact OD2-N 3.19Å; D877-S880 PolarHBondContact OD2-OG 2.87Å; S880-R882 PolarHBondContact O-N 2.85Å; S880-R882 WeakPolarHBondContact OG-CB 3.4Å; S880-R882 WeakPolarHBondContact OG-CD 3.47Å; S880-R882 VanDerWaalsContact OG-CG 3.27Å; S880-R882 WeakPolarHBondContact OG-CG 3.4Å; S880-R882 PolarHBondContact OG-N 2.95Å
881G92.5Very high83.2Confident42 Ų42103 Ų10343%0.43354%0.541SS..  trans67.18.9-173.400000114.5D877D877-G881 WeakPolarHBondContact O-CA 3.05Å; D877-G881 PolarHBondContact O-N 3.39Å
882R89.7Confident83.8Confident161 Ų161102.6 Ų102.661%0.60853%0.531SS*.  trans-84.3145.1-172.8-66.7174.6-178.2-164.1-1.4112.1V876 D877 S880 Y884V876-R882 WeakPolarHBondContact CA-O 3.18Å; D877-R882 PolarHBondContact N-O 3.3Å; S880-R882 PolarHBondContact O-N 2.85Å; S880-R882 WeakPolarHBondContact OG-CB 3.4Å; S880-R882 WeakPolarHBondContact OG-CD 3.47Å; S880-R882 VanDerWaalsContact OG-CG 3.27Å; S880-R882 WeakPolarHBondContact OG-CG 3.4Å; S880-R882 PolarHBondContact OG-N 2.95Å; R882-Y884 HydrophobicContact CB-CD2 4.32Å; R882-Y884 HydrophobicContact CB-CE2 3.59Å; R882-Y884 WeakPolarHBondContact O-CD2 3.46Å
883Y92.7Very high83.8Confident179 Ų179109 Ų10970%0.70255%0.55SS*.EExtended strand (participates in β ladder)trans-94.5114.1-178.5-67.3-104.4000110.3V874 V876V874-Y883 HydrophobicContact CG1-CD1 3.82Å; V874-Y883 HydrophobicContact CG1-CG 4.41Å; V876-Y883 HydrophobicContact CG2-CD1 3.66Å; V876-Y883 HydrophobicContact CG2-CE1 3.49Å; V876-Y883 VanDerWaalsContact CG2-CE1 3.49Å; V876-Y883 HydrophobicContact CG2-CG 4.33Å
884Y90.9Very high83.8Confident116 Ų116106.5 Ų106.546%0.45554%0.543SS..EExtended strand (participates in β ladder)trans-109.3121.9-179.5-67.4-85.9000110.9V874 L875 D877 R882 V886V874-Y884 WeakPolarHBondContact CA-O 3.47Å; L875-Y884 PolarHBondContact N-O 2.83Å; L875-Y884 PolarHBondContact O-N 2.81Å; D877-Y884 HydrophobicContact CB-CD2 4Å; D877-Y884 HydrophobicContact CB-CE2 3.69Å; R882-Y884 HydrophobicContact CB-CD2 4.32Å; R882-Y884 HydrophobicContact CB-CE2 3.59Å; R882-Y884 WeakPolarHBondContact O-CD2 3.46Å; Y884-V886 PolarHBondContact O-N 2.86Å
885F90.4Very high83.8Confident135 Ų135109.5 Ų109.559%0.59255%0.545SS*.EExtended strand (participates in β ladder)trans-84.5107.7173.5-174.9-89.5000110.4V874 E887V874-F885 HydrophobicContact CG2-CD2 4Å; F885-E887 HydrophobicContact CE1-CB 4.49Å
886V86.3Confident83.9Confident70 Ų70109.7 Ų109.742%0.42455%0.546SS..EExtended strand (participates in β ladder)trans-100.1109.6179.4-178.90000109.4G872 K873 L875 Y884 A888G872-V886 CarbonylContact C-O 3.55Å; G872-V886 WeakPolarHBondContact CA-O 3.48Å; K873-V886 PolarHBondContact N-O 2.98Å; K873-V886 PolarHBondContact O-N 2.92Å; L875-V886 HydrophobicContact CD1-CG2 3.84Å; L875-V886 HydrophobicContact CG-CG2 4.12Å; Y884-V886 PolarHBondContact O-N 2.86Å; V886-A888 PolarHBondContact O-N 2.89Å
887E82.9Confident84.1Confident80 Ų80109.5 Ų109.537%0.37454%0.542SS..PPolyproline II helixtrans-68.5128171.5-171171.5162.900109.9P870 F885P870-E887 HydrophobicContact CB-CG 3.88Å; P870-E887 VanDerWaalsContact CB-OE1 3.22Å; P870-E887 WeakPolarHBondContact CB-OE1 3.32Å; P870-E887 HydrophobicContact CG-CG 4.28Å; F885-E887 HydrophobicContact CE1-CB 4.49Å
888A74.2Confident84.2Confident50 Ų50112.9 Ų112.941%0.41356%0.555SS.*PPolyproline II helixtrans-62.5133.9-178.800000111.5A871 V886 R890A871-A888 WeakPolarHBondContact O-CB 3.28Å; V886-A888 PolarHBondContact O-N 2.89Å; A888-R890 PolarHBondContact O-N 2.99Å; A888-R890 VanDerWaalsContact O-N 3.15Å
889P67.8Low84.3Confident125 Ų125109.5 Ų109.581%0.81253%0.53SS*.PPolyproline II helixtrans-52.1121178.9-29.636000112.4Q891P889-Q891 PolarHBondContact O-N 2.85Å
890R67Low84.7Confident115 Ų115106.1 Ų106.143%0.43452%0.523SS..  trans-75.4111.9-176.9-52-177.485.6-133.71.2108.2A888 P912 S913A888-R890 PolarHBondContact O-N 2.99Å; A888-R890 VanDerWaalsContact O-N 3.15Å; R890-P912 HydrophobicContact CB-CB 3.68Å; R890-P912 HydrophobicContact CB-CG 3.99Å; R890-P912 WeakPolarHBondContact O-CG 3.14Å; R890-S913 PolarHBondContact NH1-O 3.33Å; R890-S913 VanDerWaalsContact NH1-O 3.08Å
891Q70.8Confident84.7Confident170 Ų170111.6 Ų111.679%0.79454%0.543SS*.  trans-51.9136.8-178.7-72.1176.7-33.400111.7P889P889-Q891 PolarHBondContact O-N 2.85Å
892P73Confident84.7Confident75 Ų75112.5 Ų112.549%0.48754%0.543SS..  trans-62148.8173.728.5-34.8000110.1L909P892-L909 HydrophobicContact CB-CD2 4.09Å; P892-L909 HydrophobicContact CG-CD2 3.89Å
893R73.8Confident84.9Confident155 Ų155107 Ų10759%0.58554%0.536SS*.EExtended strand (participates in β ladder)trans-98102.6-177.8-79.1179.2158177.6-9.6110R895 L910 S913R893-R895 PolarHBondContact O-N 3.37Å; R893-L910 PolarHBondContact N-O 3.46Å; R893-L910 WeakPolarHBondContact O-CB 3.27Å; R893-L910 PolarHBondContact O-N 3.42Å; R893-S913 PolarHBondContact NH1-OG 3.2Å
894L82.6Confident84.8Confident102 Ų102104.9 Ų104.953%0.53453%0.532SS..EExtended strand (participates in β ladder)trans-53.2127.6159.7-74163.2000109.1E907 V908 L909L894-E907 HydrophobicContact CD2-CB 4.21Å; L894-V908 WeakPolarHBondContact CA-O 3.45Å; L894-L909 HydrophobicContact CD2-CD2 3.74Å; L894-L909 HydrophobicContact CD2-CG 3.68Å; L894-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CG-CG 4.37Å
895R86.9Confident85Confident150 Ų150106.9 Ų106.957%0.56654%0.54SS*.EExtended strand (participates in β ladder)trans-134127.3166.8-67.7-174.166.2-156.80.2109R893 L897 V908 L910R893-R895 PolarHBondContact O-N 3.37Å; R895-L897 PolarHBondContact O-N 3.29Å; R895-V908 PolarHBondContact N-O 3.02Å; R895-V908 PolarHBondContact O-N 3.09Å; R895-L910 HydrophobicContact CB-CD1 3.97Å; R895-L910 HydrophobicContact CG-CD1 3.99Å
896L92.7Very high85.1Confident98 Ų98103.7 Ų103.751%0.51353%0.532SS..EExtended strand (participates in β ladder)trans-69.8121.1170.1-161.772.1000109.2Y905 V906 E907L896-Y905 HydrophobicContact CD2-CD1 4.02Å; L896-Y905 HydrophobicContact CD2-CG 4.05Å; L896-Y905 HydrophobicContact CG-CD1 3.98Å; L896-Y905 HydrophobicContact CG-CG 4.2Å; L896-V906 WeakPolarHBondContact CA-O 3.45Å; L896-E907 HydrophobicContact CD1-CG 3.55Å
897L92.4Very high85.4Confident72 Ų72106.4 Ų106.438%0.37754%0.54SS..EExtended strand (participates in β ladder)trans-120.4141.7178-62.8-178.8000109.3R895 Y905 V906 V908R895-L897 PolarHBondContact O-N 3.29Å; L897-Y905 CarbonylContact O-C 3.49Å; L897-Y905 WeakPolarHBondContact O-CA 3.22Å; L897-V906 PolarHBondContact N-O 3.24Å; L897-V906 PolarHBondContact O-N 3.29Å; L897-V908 HydrophobicContact CD1-CB 4.14Å; L897-V908 HydrophobicContact CD1-CG2 3.97Å; L897-V908 HydrophobicContact CG-CG2 4.4Å
898F93.5Very high85.8Confident114 Ų114105.1 Ų105.150%0.554%0.537SS..EExtended strand (participates in β ladder)trans-79.8121.6174.7-177.2-97.3000109.6P900 G903 Y905F898-P900 HydrophobicContact CE1-CB 4.36Å; F898-G903 VanDerWaalsContact CE2-O 3.27Å; F898-G903 WeakPolarHBondContact CE2-O 3.41Å; F898-Y905 HydrophobicContact CB-CD1 4.04Å; F898-Y905 HydrophobicContact CB-CE1 3.76Å; F898-Y905 HydrophobicContact CD2-CD1 4.36Å; F898-Y905 HydrophobicContact CD2-CD2 4.33Å; F898-Y905 HydrophobicContact CD2-CE1 4.13Å; F898-Y905 HydrophobicContact CD2-CE2 4.09Å; F898-Y905 HydrophobicContact CD2-CG 4.46Å; F898-Y905 AromaticContact CD2-CZ 3.99Å; F898-Y905 HydrophobicContact CG-CE1 4.44Å
899D94.6Very high86.4Confident52 Ų52108.3 Ų108.328%0.27855%0.547SS..  trans-92.1119.3171.5167.435.6000109.8E901 S902 G903 Q904 V906D899-E901 VanDerWaalsContact C-N 3.3Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 PolarHBondContact OD1-N 2.73Å; D899-S902 WeakPolarHBondContact OD2-CB 3.45Å; D899-S902 PolarHBondContact OD2-N 2.84Å; D899-S902 PolarHBondContact OD2-OG 2.81Å; D899-G903 VanDerWaalsContact O-CA 3.28Å; D899-G903 WeakPolarHBondContact O-CA 3.17Å; D899-G903 PolarHBondContact O-N 2.73Å; D899-Q904 PolarHBondContact N-O 2.73Å; D899-V906 HydrophobicContact CB-CG2 3.93Å
900P93.4Very high87Confident112 Ų112105.1 Ų105.173%0.72752%0.522SS*.THydrogen-bonded Turntrans-74.6-12.2178.532.7-36.9000114.5F898F898-P900 HydrophobicContact CE1-CB 4.36Å
901E91.6Very high87.3Confident171 Ų171104.5 Ų104.580%0.79953%0.534SS*.THydrogen-bonded Turntrans-81.5-51.3177.8-168.9176.6147.400111.5D899D899-E901 VanDerWaalsContact C-N 3.3Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-E901 PolarHBondContact OD1-N 2.73Å
902S90.7Very high87.2Confident61 Ų6198.9 Ų98.943%0.42751%0.512SS..THydrogen-bonded Turntrans-76.9-21.8172.761.80000113.9D899 Q904D899-S902 WeakPolarHBondContact OD2-CB 3.45Å; D899-S902 PolarHBondContact OD2-N 2.84Å; D899-S902 PolarHBondContact OD2-OG 2.81Å; S902-Q904 PolarHBondContact O-N 3.34Å; S902-Q904 PolarHBondContact OG-N 3.39Å
903G93.8Very high86.6Confident45 Ų4598 Ų9846%0.46451%0.507SS..  trans69.712.8-169.100000113.7F898 D899F898-G903 VanDerWaalsContact CE2-O 3.27Å; F898-G903 WeakPolarHBondContact CE2-O 3.41Å; D899-G903 VanDerWaalsContact O-CA 3.28Å; D899-G903 WeakPolarHBondContact O-CA 3.17Å; D899-G903 PolarHBondContact O-N 2.73Å
904Q91.8Very high85.9Confident134 Ų13496.2 Ų96.263%0.62652%0.516SS*.SBendtrans-106.4174.1-176.7-61.6-171.21.500112.5D899 S902D899-Q904 PolarHBondContact N-O 2.73Å; S902-Q904 PolarHBondContact O-N 3.34Å; S902-Q904 PolarHBondContact OG-N 3.39Å
905Y95Very high84.3Confident159 Ų15993.7 Ų93.762%0.62451%0.507SS*.EExtended strand (participates in β ladder)trans-103.5109.9175.2-84.4-73.4000109.6L896 L897 F898L896-Y905 HydrophobicContact CD2-CD1 4.02Å; L896-Y905 HydrophobicContact CD2-CG 4.05Å; L896-Y905 HydrophobicContact CG-CD1 3.98Å; L896-Y905 HydrophobicContact CG-CG 4.2Å; L897-Y905 CarbonylContact O-C 3.49Å; L897-Y905 WeakPolarHBondContact O-CA 3.22Å; F898-Y905 HydrophobicContact CB-CD1 4.04Å; F898-Y905 HydrophobicContact CB-CE1 3.76Å; F898-Y905 HydrophobicContact CD2-CD1 4.36Å; F898-Y905 HydrophobicContact CD2-CD2 4.33Å; F898-Y905 HydrophobicContact CD2-CE1 4.13Å; F898-Y905 HydrophobicContact CD2-CE2 4.09Å; F898-Y905 HydrophobicContact CD2-CG 4.46Å; F898-Y905 AromaticContact CD2-CZ 3.99Å; F898-Y905 HydrophobicContact CG-CE1 4.44Å
906V93.1Very high82.5Confident67 Ų6792.4 Ų92.441%0.40652%0.518SS..EExtended strand (participates in β ladder)trans-100.1134.3-175.8-176.40000110.1L896 L897 D899 V908L896-V906 WeakPolarHBondContact CA-O 3.45Å; L897-V906 PolarHBondContact N-O 3.24Å; L897-V906 PolarHBondContact O-N 3.29Å; D899-V906 HydrophobicContact CB-CG2 3.93Å; V906-V908 HydrophobicContact CG1-CG2 4.49Å
907E92.3Very high80.2Confident128 Ų12892.6 Ų92.660%0.59853%0.527SS*.EExtended strand (participates in β ladder)trans-81121.1173.9-70-159.8176.100111.7L894 L896L894-E907 HydrophobicContact CD2-CB 4.21Å; L896-E907 HydrophobicContact CD1-CG 3.55Å
908V90.4Very high77.7Confident53 Ų5398.9 Ų98.932%0.32155%0.546SS..EExtended strand (participates in β ladder)trans-115.3121179.7-177.50000110.4L894 R895 L897 V906 L910L894-V908 WeakPolarHBondContact CA-O 3.45Å; R895-V908 PolarHBondContact N-O 3.02Å; R895-V908 PolarHBondContact O-N 3.09Å; L897-V908 HydrophobicContact CD1-CB 4.14Å; L897-V908 HydrophobicContact CD1-CG2 3.97Å; L897-V908 HydrophobicContact CG-CG2 4.4Å; V906-V908 HydrophobicContact CG1-CG2 4.49Å; V908-L910 HydrophobicContact CG1-CD2 4.4Å; V908-L910 HydrophobicContact CG1-CG 4.27Å; V908-L910 PolarHBondContact O-N 3.1Å
909L86.7Confident75.1Confident116 Ų116100.9 Ų100.961%0.60756%0.557SS**EExtended strand (participates in β ladder)trans-70.6101.1170.4-77.1154.1000110P892 L894P892-L909 HydrophobicContact CB-CD2 4.09Å; P892-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CD2-CD2 3.74Å; L894-L909 HydrophobicContact CD2-CG 3.68Å; L894-L909 HydrophobicContact CG-CD2 3.89Å; L894-L909 HydrophobicContact CG-CG 4.37Å
910L80.5Confident72.5Confident58 Ų58104 Ų10430%0.30458%0.58SS.*EExtended strand (participates in β ladder)trans-93142.1175.5-71.6160.9000111.4R893 R895 V908R893-L910 PolarHBondContact N-O 3.46Å; R893-L910 WeakPolarHBondContact O-CB 3.27Å; R893-L910 PolarHBondContact O-N 3.42Å; R895-L910 HydrophobicContact CB-CD1 3.97Å; R895-L910 HydrophobicContact CG-CD1 3.99Å; V908-L910 HydrophobicContact CG1-CD2 4.4Å; V908-L910 HydrophobicContact CG1-CG 4.27Å; V908-L910 PolarHBondContact O-N 3.1Å
911P74.1Confident69.7Low103 Ų103110.3 Ų110.367%0.66959%0.589SS**  trans-59.8149.8176.525.3-34.1000111.1S913P911-S913 PolarHBondContact O-N 3.3Å
912P68.2Low67.4Low52 Ų52109.7 Ų109.734%0.33859%0.586SS.*  trans-68.788.8-173.829.5-37.9000111.6R890R890-P912 HydrophobicContact CB-CB 3.68Å; R890-P912 HydrophobicContact CB-CG 3.99Å; R890-P912 WeakPolarHBondContact O-CG 3.14Å
913S61.6Low65Low55 Ų55113 Ų11339%0.38561%0.606SS.*  trans-39.7127.5179.760.30000112.2R890 R893 P911 S915R890-S913 PolarHBondContact NH1-O 3.33Å; R890-S913 VanDerWaalsContact NH1-O 3.08Å; R893-S913 PolarHBondContact NH1-OG 3.2Å; P911-S913 PolarHBondContact O-N 3.3Å; S913-S915 PolarHBondContact O-N 3.45Å
914P58.1Low62.3Low119 Ų119121 Ų12177%0.77362%0.624SS**  trans-57.5125.9177.124-33000108.8P916P914-P916 WeakPolarHBondContact O-CD 3.43Å
915S50.1Low59.8Low48 Ų48118.1 Ų118.134%0.33662%0.624SS.*  trans-70.6125.9-171.9-172.60000109.8S913 S917 R918S913-S915 PolarHBondContact O-N 3.45Å; S915-S917 WeakPolarHBondContact CB-OG 2.84Å; S915-S917 PolarHBondContact O-N 3.25Å; S915-S917 PolarHBondContact OG-OG 3.24Å; S915-R918 PolarHBondContact O-N 2.99Å
916P48.2Very low57Low124 Ų124116.9 Ų116.981%0.80564%0.635SS**THydrogen-bonded Turntrans-65.2-2.5176.827.9-35000113.2P914 R918P914-P916 WeakPolarHBondContact O-CD 3.43Å; P916-R918 VanDerWaalsContact C-N 3.31Å
917S44.8Very low54.6Low102 Ų102120.9 Ų120.971%0.71365%0.653SS**THydrogen-bonded Turntrans-72.5-15.1169.663.60000114.5S915S915-S917 WeakPolarHBondContact CB-OG 2.84Å; S915-S917 PolarHBondContact O-N 3.25Å; S915-S917 PolarHBondContact OG-OG 3.24Å
918R40.6Very low52.1Low203 Ų203118.6 Ų118.677%0.76666%0.656SS**  trans-9972.6170.7-163.4178.9-170.3-179.13109.7S915 P916S915-R918 PolarHBondContact O-N 2.99Å; P916-R918 VanDerWaalsContact C-N 3.31Å
919Q37Very low49.8Very low157 Ų157124.8 Ų124.873%0.73469%0.687SS**  trans-54.8135.5162-71.4-175.5-59.300108.7R921Q919-R921 PolarHBondContact O-N 3.05Å
920P40.5Very low47.2Very low117 Ų117122.5 Ų122.576%0.7669%0.691SS**  trans-65.6108.3170.227.2-32.2000108.4Q922P920-Q922 PolarHBondContact O-N 3.38Å
921R35.8Very low45.1Very low245 Ų245126.4 Ų126.493%0.92572%0.72SS**  trans-74.870.5170.6-77-173.6172.3-179.9-3.1110Q919Q919-R921 PolarHBondContact O-N 3.05Å
922Q42.5Very low43.1Very low157 Ų157124.6 Ų124.673%0.73472%0.72SS**  trans-94121.4154.3-79.3-170.6-37.300108.2P920 Y924P920-Q922 PolarHBondContact O-N 3.38Å; Q922-Y924 PolarHBondContact O-N 3.07Å; Q922-Y924 VanDerWaalsContact O-N 3.12Å
923P39.3Very low41.5Very low130 Ų130130.3 Ų130.384%0.84475%0.747SS**  trans-83.385.5-178.133.4-34000110.9A925P923-A925 PolarHBondContact O-N 3Å
924Y38.1Very low40.3Very low213 Ų213138.2 Ų138.284%0.83577%0.77SS**  trans-84.5106.6157.3-90.1-79.6000108.9Q922 P926Q922-Y924 PolarHBondContact O-N 3.07Å; Q922-Y924 VanDerWaalsContact O-N 3.12Å; Y924-P926 WeakPolarHBondContact O-CD 3.38Å
925A38.6Very low39.9Very low75 Ų75138.1 Ų138.162%0.6277%0.769SS**  trans-73125.6-174.300000111.7P923 L927P923-A925 PolarHBondContact O-N 3Å; A925-L927 VanDerWaalsContact C-N 3.29Å; A925-L927 HydrophobicContact CB-CG 4.49Å; A925-L927 PolarHBondContact O-N 3.01Å; A925-L927 VanDerWaalsContact O-N 3.08Å
926P36.5Very low39.8Very low133 Ų133142 Ų14286%0.86479%0.793SS**  trans-8571.3173.434.9-33.8000110.5Y924Y924-P926 WeakPolarHBondContact O-CD 3.38Å
927L43.9Very low39.6Very low151 Ų151140 Ų14079%0.79179%0.787SS**  trans-104.7108.8170.6-65.9176.7000108.3A925A925-L927 VanDerWaalsContact C-N 3.29Å; A925-L927 HydrophobicContact CB-CG 4.49Å; A925-L927 PolarHBondContact O-N 3.01Å; A925-L927 VanDerWaalsContact O-N 3.08Å
928A38.4Very low39.4Very low80 Ų80146.4 Ų146.466%0.66180%0.797SS**  79.887.6104.700000111.8
929L42.2Very low39.6Very low183 Ų183140.4 Ų140.496%0.95880%0.799SS**  85.992.688.1-82.8162.7000112.5
930G32.2Very low39.8Very low68 Ų68138.5 Ų138.570%0.70180%0.8SS**  trans-144.6133.7166.300000109.5
931P36.1Very low39.7Very low139 Ų139140.3 Ų140.390%0.90380%0.801SS**  trans-92.6139.4-171.934.1-33.7000114.1
932G32.4Very low39.9Very low66 Ų66134.2 Ų134.268%0.6880%0.797SS**  trans101.8158.6171.900000114.4
933L34.5Very low39.7Very low172 Ų172130.3 Ų130.390%0.90180%0.798SS**  cis-139.8148.3-7.2-72.3172.2000109.3
934Y36.5Very low40Very low221 Ų221129.8 Ų129.887%0.86780%0.795SS**PPolyproline II helixtrans-74.2136.2165.9-100.5-102.6000109.7P936Y934-P936 WeakPolarHBondContact O-CD 3.31Å
935P50.9Low39.9Very low117 Ų117124.4 Ų124.476%0.7679%0.788SS**PPolyproline II helixtrans-73.8123.6163.229.9-31.1000109.6
936P46.9Very low40Very low128 Ų128128.7 Ų128.783%0.83180%0.8SS**PPolyproline II helixtrans-87.7155.6-17834.9-35000112.6Y934Y934-P936 WeakPolarHBondContact O-CD 3.31Å
937A44.2Very low39.8Very low82 Ų82127.5 Ų127.568%0.67879%0.794SS**  trans-144.7133.7167.500000110.9
938Y41.2Very low39.9Very low238 Ų238125.4 Ų125.493%0.93379%0.79SS**SBendtrans65.987.5176.1-52.2-76.2000117.6
939G44.3Very low39.6Very low77 Ų77129.2 Ų129.279%0.79480%0.798SS**  trans165.3132.9167.800000111.8
940P41.5Very low39.3Very low116 Ų116125.5 Ų125.575%0.75379%0.788SS**  trans-121158.7-153.543.6-34.2000118.5
941I37.3Very low39.6Very low155 Ų155128.2 Ų128.280%0.79579%0.793SS**  trans92133.9151.3-68.4153.1000120.6
942S41.5Very low39.4Very low118 Ų118128.4 Ų128.483%0.82579%0.787SS**  trans74.4117165.1-66.50000121.2
943G37.5Very low39.6Very low74 Ų74132.7 Ų132.776%0.76379%0.793SS**  trans-94.3-150.5160.600000112.4
944P45.9Very low39.5Very low120 Ų120130 Ų13078%0.77979%0.789SS**  cis-136-179.731.742-25.1000117.1
945S36.2Very low39.4Very low99 Ų99123.8 Ų123.869%0.69278%0.783SS**  trans57.8122.6160.644.90000119.3
946L39.4Very low38.7Very low165 Ų165127.1 Ų127.186%0.86479%0.793SS**  70.7135.659.1-62.7169.6000112.6
947S34Very low38.1Very low108 Ų108123.8 Ų123.876%0.75578%0.782SS**  cis-152.1175.818-1060000114.4
948P44.3Very low37.6Very low108 Ų108125 Ų12570%0.70179%0.786SS**  trans-114.2177.3-173.442.8-34.2000116.1
949L32.3Very low37.6Very low159 Ų159122.4 Ų122.483%0.83279%0.787SS**  trans172.3140.3150.7-109.160.8000106.7
950S35.8Very low37.3Very low106 Ų106126.6 Ų126.674%0.74179%0.786SS**  70.9147.853.8-54.40000115.3
951P39.8Very low36.9Very low125 Ų125127.5 Ų127.581%0.81278%0.784SS**  cis-134-155.6-44.340.6-23.5000112.1
952N31.2Very low37.1Very low143 Ų143125.1 Ų125.177%0.76578%0.778SS**  trans100.3155.7157.3-153.513.5000120.4
953L35.6Very low36.9Very low155 Ų155131.5 Ų131.581%0.81279%0.785SS**  trans84152.4169.7-55.5-178.2000120.3
954S32.6Very low36.9Very low116 Ų116132.2 Ų132.281%0.81178%0.783SS**  trans-142.7154.3-152.8-60.50000115.5
955A34.9Very low37Very low90 Ų90132.6 Ų132.674%0.74479%0.786SS**  trans53.9110.5144.500000122.5
956L37.4Very low37Very low187 Ų187136.8 Ų136.898%0.97980%0.795SS**  trans172.7150.3137.8-97.2144.5000107.7
957G32.7Very low36.8Very low58 Ų58133.5 Ų133.560%0.59879%0.791SS**  cis-175.5134.5-800000112.2
958S34.5Very low36.8Very low109 Ų109131.5 Ų131.576%0.76279%0.788SS**  trans39.712514859.20000123.4
959L40.5Very low36.6Very low183 Ų183132.7 Ų132.796%0.95880%0.796SS**  trans-141162142.3-95.7-180000111.3
960Q38.1Very low37.1Very low164 Ų164132.9 Ų132.977%0.76680%0.796SS**  trans-130.6167.2-156-76.9-174.5-3.600111.6
961L34.5Very low37.1Very low136 Ų136135.8 Ų135.871%0.71280%0.798SS**  cis-157.8-135.5-1.5-119.1171000105.4
962P39.9Very low37.3Very low104 Ų104133.2 Ų133.268%0.67580%0.795SS**  cis-128.2115.6-38.924-1.4000114.2
963W37.4Very low37.7Very low252 Ų252133.2 Ų133.296%0.95579%0.792SS**  trans-169.385.9143.147.1-86.6000111.8
964A37.6Very low37.8Very low89 Ų89135.2 Ų135.274%0.73679%0.79SS**  trans-146.7135.7167.600000108.9
965P48.8Very low38.2Very low129 Ų129139 Ų13984%0.83879%0.788SS**  trans-70.3145.7166.4-13.229.1000110.7A967P965-A967 PolarHBondContact O-N 2.98Å
966E36.1Very low38.5Very low187 Ų187142.2 Ų142.287%0.87479%0.789SS**  trans-54.9129.6161.2-76.9172.7105.600109.2
967A34.1Very low38.4Very low96 Ų96138.1 Ų138.179%0.79377%0.774SS**  69.790.461.700000112.2P965P965-A967 PolarHBondContact O-N 2.98Å
968G35.2Very low39Very low66 Ų66144.1 Ų144.168%0.6879%0.791SS**  trans-144.1114.2166.300000108.7L970G968-L970 PolarHBondContact O-N 3.26Å
969P38.6Very low39Very low133 Ų133144.1 Ų144.186%0.86479%0.791SS**  trans-81.3105.7-17830.9-31.6000109.9
970L43.8Very low38.8Very low162 Ų162138.7 Ų138.785%0.84878%0.779SS**  trans-123.4102.2173.3-94.6167.3000111.6G968 G972G968-L970 PolarHBondContact O-N 3.26Å; L970-G972 PolarHBondContact O-N 3.3Å; L970-G972 VanDerWaalsContact O-N 3.15Å
971E36Very low38.8Very low168 Ų168137.1 Ų137.179%0.78578%0.781SS**  trans-19.5104.6147.3-154.862.5-142.600112.8
972G44.1Very low39.2Very low71 Ų71136.5 Ų136.573%0.73279%0.785SS**  trans-114.523.1-171.400000114.5L970 Y974L970-G972 PolarHBondContact O-N 3.3Å; L970-G972 VanDerWaalsContact O-N 3.15Å; G972-Y974 PolarHBondContact O-N 3.29Å
973M39.9Very low38.8Very low143 Ų143136.7 Ų136.770%0.70479%0.789SS**  trans-78.467.9-174.8-84.1-74.5-71.200113.7
974Y36Very low38.7Very low197 Ų197130.9 Ų130.977%0.77378%0.784SS**  trans-154.2141.3165.9-67.3-48.4000110.3G972G972-Y974 PolarHBondContact O-N 3.29Å
975Y41.5Very low38.6Very low195 Ų195131 Ų13177%0.76579%0.785SS**  cis-144.8139.7-19.6-100.4165000105.2
976M40.8Very low38.2Very low158 Ų158130.8 Ų130.878%0.77878%0.784SS**  78.115059.1-70.1-63.7173.300114.5
977P36.8Very low38.2Very low100 Ų100127 Ų12765%0.64978%0.775SS**  trans-106.8161.9-137.239.9-36.6000115.2S979P977-S979 PolarHBondContact O-N 3.37Å
978L44.2Very low38.6Very low184 Ų184130.5 Ų130.596%0.96378%0.777SS**  trans-93.277.9171.9-73.6170.3000111.7
979S36Very low38.6Very low109 Ų109133.4 Ų133.476%0.76278%0.776SS**  trans-128.9102.4167.2-70.20000109.9P977P977-S979 PolarHBondContact O-N 3.37Å
980G35.2Very low38.5Very low69 Ų69135.4 Ų135.471%0.71177%0.772SS**  trans84.4151179.600000114.3
981T37.2Very low38.1Very low132 Ų132133.2 Ų133.281%0.8177%0.768SS**  cis-144.2170.8-9.4600000109.6
982P43Very low38.2Very low123 Ų123129.6 Ų129.680%0.79977%0.767SS**SBendtrans-129.3130.5130.835.1-28.5000113
983S31.9Very low38.4Very low108 Ų108131.9 Ų131.976%0.75577%0.769SS**  trans63.1131.8164.5-153.80000118.8
984P35.5Very low38.3Very low129 Ų129130.4 Ų130.484%0.83877%0.771SS**  trans-81.7126.6171.532.7-32.1000112.1
985A35.2Very low38.4Very low92 Ų92125.9 Ų125.976%0.7677%0.768SS**  trans-143.1132.1160.200000109
986P41.5Very low38.1Very low125 Ų125123.1 Ų123.181%0.81278%0.777SS**  trans-80164.2-16932-36000113.9
987P35.1Very low38.2Very low106 Ų106120.4 Ų120.469%0.68877%0.773SS**  trans-87.1141.6-163.533.3-36000115.1
988M42.2Very low38.3Very low171 Ų171118.8 Ų118.884%0.84278%0.775SS**  trans-125103.4153.7-67.2-71.1-76.400105.2
989L36.1Very low38.3Very low126 Ų126115.5 Ų115.566%0.6676%0.764SS**  65.2140.168-63.1178.2000113.8
990F37.4Very low38.3Very low175 Ų175116.8 Ų116.877%0.76876%0.762SS**  trans70.694174.9-61-74.3000118.6
991C35.4Very low38.4Very low116 Ų116122.2 Ų122.278%0.78477%0.768SS**  64.6134.9116.7-62.90000120.8
992A37.9Very low38.7Very low92 Ų92120.5 Ų120.576%0.7676%0.762SS**  trans-74.7150.6168.300000112.5
993P47.6Very low38.4Very low119 Ų119119.4 Ų119.477%0.77376%0.757SS**  trans-92.4132.6146.133.1-27.7000110.4
994P38.9Very low38.8Very low113 Ų113124.3 Ų124.373%0.73477%0.765SS**  trans-84.4179.5170.236.7-35.8000111.7
995S36.7Very low39Very low101 Ų101121.6 Ų121.671%0.70676%0.76SS**  trans6395.9158.2-59.60000117.6S997S995-S997 VanDerWaalsContact C-N 3.29Å; S995-S997 PolarHBondContact O-N 3.41Å
996S36.6Very low39.2Very low138 Ų138122.8 Ų122.897%0.96576%0.763SS**  trans-68.587.2154.6-179.60000110
997S41.2Very low39.3Very low100 Ų100122.7 Ų122.770%0.69976%0.76SS**  trans-99.8123.9162.153.20000109.4S995S995-S997 VanDerWaalsContact C-N 3.29Å; S995-S997 PolarHBondContact O-N 3.41Å
998G40.4Very low39.3Very low66 Ų66125.9 Ų125.968%0.6876%0.763SS**  trans-70-174.6161.600000112
999P43.6Very low39.6Very low115 Ų115119.8 Ų119.875%0.74774%0.736SS**  cis-143.2170.725.544.6-27.1000117.4
1000I35.3Very low39.9Very low137 Ų137123.1 Ų123.170%0.70375%0.754SS**  trans50.3114.6133.7-66.1168.9000120.1
1001Q38.9Very low40Very low182 Ų182120.6 Ų120.685%0.8575%0.753SS**  trans63.5154.9143.8-72.3178-31.300119.9
1002S42.1Very low40.2Very low96 Ų96120.8 Ų120.867%0.67175%0.752SS**  cis-169.4169.9-1654.20000112.9
1003S37Very low40.4Very low100 Ų100122.4 Ų122.470%0.69975%0.751SS**  trans109.8133.4135.183.90000121.5
1004K39.9Very low39.9Very low211 Ų211122.6 Ų122.692%0.91775%0.75SS**  trans74.6134.8148.8-71.3174.4176.6-179.80121.6
1005G39.9Very low40Very low72 Ų72123.2 Ų123.274%0.74275%0.751SS**  trans117.295.8-177.400000110.4
1006S39.2Very low40.2Very low117 Ų117124.7 Ų124.782%0.81875%0.754SS**  cis70.3119.248.5-158.70000111.9
1007V43.1Very low40.5Very low124 Ų124123.7 Ų123.775%0.75274%0.739SS**  cis-153.8169.35.2104.80000112.2
1008F36.4Very low40.4Very low173 Ų173125.5 Ų125.576%0.75974%0.742SS**  trans-32.8169.5168.2-77-79.9000118.8
1009P47.5Very low40.4Very low42 Ų42130.5 Ų130.527%0.27375%0.747SS.*  cis-142153.121.339.6-19.8000120I507 E508I507-P1009 HydrophobicContact CB-CG 4.13Å; I507-P1009 HydrophobicContact CD1-CG 4.45Å; I507-P1009 HydrophobicContact CG1-CG 3.75Å; I507-P1009 HydrophobicContact CG2-CG 3.93Å; E508-P1009 HydrophobicContact CB-CG 4.4Å; E508-P1009 HydrophobicContact CG-CB 4.15Å; E508-P1009 HydrophobicContact CG-CG 4.07Å
1010L42.3Very low40.1Very low197 Ų197131.9 Ų131.9100%1.03175%0.747SS**  -155.10117.5-114.4170000109.2

Retrieved 1,010 of 1,010 residues in 99.2 ms (Link to these results)