A0A060WAF2_ONCMY Loading...

SRY-box transcription factor 19b

AlphaFold DB , UniProt , Accession A0A060WAF2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500375, Length 289 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
1M42.1Very low46.6Very low248 Ų248181.5 Ų181.5100%1.22288%0.878SS**  078.70-67.3166.9178.700108.7
2Y38Very low45.4Very low234 Ų234176.8 Ų176.892%0.91888%0.879SS**  trans-89.8123165.1-83.6-87.3000107
3N45.6Very low44.6Very low157 Ų157168.8 Ų168.884%0.8487%0.868SS**  trans-167122.6163.9-120.56.3000109.2
4M53.3Low44Very low191 Ų191170.9 Ų170.994%0.94187%0.873SS**SBendtrans161.326.3162.6-84.3-125.5-6900112.1
5M61.9Low43.5Very low174 Ų174172.2 Ų172.286%0.85787%0.874SS**SBendtrans-128.1140.1156.7-72.1-165.7-70.700107.6
6E52.3Low43.1Very low183 Ų183172.9 Ų172.986%0.85587%0.872SS**  trans80.191.3-179.5-51.9-157.9133.800118.4
7H42.9Very low42.7Very low177 Ų177168.6 Ų168.682%0.81986%0.862SS**  trans-160.6124.5139.2-88.9-80.5000103.4
8E36.6Very low42.4Very low147 Ų147169.1 Ų169.169%0.68786%0.86SS**  cis-136.614020.1-74.1-78.8100.300111.7
9L44.9Very low42.3Very low178 Ų178170.3 Ų170.393%0.93286%0.862SS**  trans-129.7118.7151.4-97171.5000107
10K43.9Very low42.1Very low187 Ų187167.6 Ų167.681%0.81385%0.854SS**  trans-142.1136.5166.6-154163.5-173175.60111.5
11P51Low41.9Very low120 Ų120163.9 Ų163.978%0.77985%0.849SS**  trans-102.7145.7-165.837.9-34.5000114.4
12S32.5Very low42Very low126 Ų126159.8 Ų159.888%0.88183%0.829SS**  trans-179.5130152.246.70000105.9
13G35Very low42.3Very low72 Ų72154 Ų15474%0.74282%0.823SS**  cis125.477.616.700000109.1
14Q35.8Very low42.4Very low199 Ų199152.3 Ų152.393%0.9382%0.82SS**  trans-164.4138.9156.6-114.2168.54.600111.6
15Q36.5Very low42Very low190 Ų190150.2 Ų150.289%0.88882%0.818SS**  trans-83.1137.2170.2-63.8164.9-18.500108.7
16Q37.1Very low41Very low183 Ų183148 Ų14886%0.85582%0.815SS**  trans-152.4125.1142.5-120.6168.717.300111.6
17S36.3Very low40Very low100 Ų100142.7 Ų142.770%0.69981%0.808SS**  trans-81.9125175.451.60000110.5
18H38.3Very low39.6Very low177 Ų177142.3 Ų142.382%0.81981%0.812SS**  trans-133.7128.5149.3-80.4-47.3000111
19Q38.8Very low39.8Very low193 Ų193140.3 Ų140.390%0.90282%0.815SS**  trans-89.7126177-60169.38000107.8
20T40.1Very low39.7Very low115 Ų115140.6 Ų140.671%0.70681%0.811SS**  trans-132.789.2163.5-51.50000108.2M22T20-M22 HydrophobicContact CG2-CE 3.62Å; T20-M22 HydrophobicContact CG2-CG 4.45Å
21A36.8Very low40Very low90 Ų90137.3 Ų137.374%0.74481%0.809SS**  trans-74.3130.1172.400000109.7
22M43.7Very low39.3Very low163 Ų163135.4 Ų135.480%0.80381%0.81SS**  trans-135.2115166-63.1-66.3160.800107.4T20T20-M22 HydrophobicContact CG2-CE 3.62Å; T20-M22 HydrophobicContact CG2-CG 4.45Å
23S44.2Very low39.7Very low112 Ų112134.3 Ų134.378%0.78380%0.803SS**PPolyproline II helixtrans-69.6154.5-171-57.70000113.3
24P48.9Very low40.2Very low121 Ų121140.4 Ų140.479%0.78681%0.809SS**PPolyproline II helixtrans-74.2130.7174.331-33.6000110.8
25V44.9Very low40.2Very low147 Ų147136.1 Ų136.189%0.89180%0.801SS**PPolyproline II helixtrans-80.8124.9169.868.10000110.2
26T40.2Very low40.7Very low129 Ų129134.9 Ų134.979%0.79180%0.8SS**PPolyproline II helixtrans-83.8143.3179.845.90000112.5
27G32Very low40.8Very low70 Ų70131.7 Ų131.772%0.72280%0.796SS**  trans101.7106.7143.800000116.8
28N34.3Very low41.4Very low170 Ų170132.9 Ų132.991%0.90980%0.801SS**  -150.893.3127.2-139.414.2000110.9
29S40.9Very low41.7Very low105 Ų105130 Ų13073%0.73480%0.799SS**  trans-109.4135161.3-52.60000106.9
30H41.9Very low42.4Very low184 Ų184124.6 Ų124.685%0.85280%0.795SS**  trans-172.9163.9151.3-106.769.3000109.2
31P51Low43.1Very low118 Ų118121.9 Ų121.977%0.76679%0.789SS**  -112.6169.8-12216.46.5000114.4
32G35.8Very low44Very low79 Ų79122.7 Ų122.781%0.81478%0.781SS**  trans-101.4-178.3-171.200000116.5
33S41.3Very low44.7Very low104 Ų104120.3 Ų120.373%0.72778%0.778SS**  trans-160.6118.6160.7-178.70000112
34K46.3Very low45.4Very low200 Ų200123.2 Ų123.287%0.8778%0.781SS**  trans35.5118.2143.8-52.3173.4-174.4176.10119.5
35S35.6Very low46.8Very low108 Ų108123.3 Ų123.376%0.75578%0.775SS**  -175.1127.9108.4-160.30000114.4
36L47.1Very low48.9Very low165 Ų165123.2 Ų123.286%0.86476%0.763SS**  trans15.3102.8149.8-67.4138.5000120.7
37C37.5Very low51.4Low116 Ų116119.3 Ų119.378%0.78474%0.738SS**  trans-173.9145.3132.3-105.70000108.6P39C37-P39 WeakPolarHBondContact O-CD 3.48Å
38P49Very low54.5Low124 Ų124124.6 Ų124.681%0.80574%0.741SS**  trans-71114.317428.4-31.3000108.9G40P38-G40 PolarHBondContact O-N 3.37Å
39P45.3Very low57.5Low118 Ų118124.1 Ų124.177%0.76673%0.727SS**  trans-66.6126.4178.328.3-32.6000108.2C37 G41C37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-G41 PolarHBondContact O-N 3.43Å
40G53.5Low60.2Low79 Ų79121.2 Ų121.281%0.81471%0.706SS**  trans-67.186.8163.600000107.7P38P38-G40 PolarHBondContact O-N 3.37Å
41G54.2Low62.9Low57 Ų57115.8 Ų115.859%0.58868%0.681SS**  trans-50.7143.1-175.300000111.5P39P39-G41 PolarHBondContact O-N 3.43Å
42D55.8Low65.2Low107 Ų107114.5 Ų114.557%0.57267%0.668SS**  trans-55.2141.3-168.3-83.8-58.7000110.9M44 D45D42-M44 PolarHBondContact O-N 3.08Å; D42-D45 PolarHBondContact O-N 3.27Å
43P59.3Low68.1Low114 Ų114111.5 Ų111.574%0.7464%0.635SS**THydrogen-bonded Turntrans-61.7-11.7-179.226-34.6000113
44M58.7Low70.9Confident173 Ų173108.6 Ų108.685%0.85261%0.61SS**THydrogen-bonded Turntrans-76.4-36.4172.2-64-60.1-137.200113.5D42 K46D42-M44 PolarHBondContact O-N 3.08Å; M44-K46 PolarHBondContact O-N 3.4Å
45D78.1Confident73.3Confident122 Ų122103.2 Ų103.265%0.65259%0.589SS**THydrogen-bonded Turntrans-72.2-15-179.3-62.8-28.8000112.4D42 V47D42-D45 PolarHBondContact O-N 3.27Å; D45-V47 PolarHBondContact O-N 3.41Å
46K88.3Confident76.3Confident146 Ų14699.3 Ų99.364%0.63556%0.561SS**SBendtrans-71.3104.7178.6-171.9-179.6179.3179.30111.2M44 K48M44-K46 PolarHBondContact O-N 3.4Å; K46-K48 PolarHBondContact O-N 2.72Å; K46-K48 VanDerWaalsContact O-N 3.13Å
47V94.1Very high78.8Confident46 Ų4692.2 Ų92.228%0.27952%0.522SS..  trans-40.4116.6169.1-179.10000111.8D45 H107 Y111 Y114D45-V47 PolarHBondContact O-N 3.41Å; V47-H107 WeakPolarHBondContact CG1-CE1 3.16Å; V47-Y111 HydrophobicContact CB-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CD1 3.93Å; V47-Y111 HydrophobicContact CG1-CD2 3.78Å; V47-Y111 HydrophobicContact CG1-CE1 4.12Å; V47-Y111 HydrophobicContact CG1-CE2 3.97Å; V47-Y111 HydrophobicContact CG1-CG 3.74Å; V47-Y111 HydrophobicContact CG2-CD1 3.69Å; V47-Y111 HydrophobicContact CG2-CE1 3.69Å; V47-Y111 HydrophobicContact CG2-CG 4.34Å; V47-Y114 HydrophobicContact CB-CD2 3.95Å; V47-Y114 HydrophobicContact CB-CE2 3.99Å; V47-Y114 HydrophobicContact CG1-CD2 3.48Å; V47-Y114 VanDerWaalsContact CG1-CD2 3.48Å; V47-Y114 HydrophobicContact CG1-CE2 3.65Å; V47-Y114 HydrophobicContact CG1-CG 4.47Å; V47-Y114 WeakPolarHBondContact O-CE2 3.13Å
48K95.9Very high81.7Confident181 Ų18186.7 Ų86.779%0.78749%0.485SS*.PPolyproline II helixtrans-81.6147.3-177-67.7167.669.4172.20110.4K46 H107K46-K48 PolarHBondContact O-N 2.72Å; K46-K48 VanDerWaalsContact O-N 3.13Å; K48-H107 PolarHBondContact O-CE1 2.89Å
49R97.6Very high84Confident161 Ų16189 Ų8961%0.60848%0.477SS*.PPolyproline II helixtrans-59.7143.1176.2-64.4171.770.9-166.22.4110.6Y114 Y116R49-Y114 WeakPolarHBondContact CG-OH 3.25Å; R49-Y116 HydrophobicContact CG-CD2 4.41Å
50P98Very high86.4Confident44 Ų4485 Ų8529%0.28646%0.457SS..PPolyproline II helixtrans-64.2150.2169.827.8-32.8000110.3H107P50-H107 HydrophobicContact CB-CB 3.98Å; P50-H107 HydrophobicContact CG-CB 4.12Å
51M98.3Very high88.6Confident70 Ų7084.2 Ų84.235%0.34543%0.433SS..PPolyproline II helixtrans-70.6136.8179-65.4-173.6-65.700110.7M55 V56 L103M51-M55 HydrophobicContact CB-CB 3.98Å; M51-M55 HydrophobicContact CG-CB 4.29Å; M51-V56 HydrophobicContact CB-CG2 3.82Å; M51-V56 HydrophobicContact CE-CG2 4.37Å; M51-L103 HydrophobicContact CB-CD1 4.3Å; M51-L103 HydrophobicContact CE-CD1 3.9Å
52N98.6Very high90.6Very high90 Ų9084.3 Ų84.348%0.48142%0.415SS..PPolyproline II helixtrans-82.4170.7168.17118.3000110.7F54 M55 V56N52-F54 VanDerWaalsContact C-N 3.33Å; N52-F54 PolarHBondContact O-N 3.15Å; N52-F54 PolarHBondContact OD1-N 2.98Å; N52-M55 WeakPolarHBondContact O-CA 3.48Å; N52-M55 PolarHBondContact O-N 3.16Å; N52-M55 WeakPolarHBondContact OD1-CB 3.41Å; N52-M55 VanDerWaalsContact OD1-CG 3.22Å; N52-M55 WeakPolarHBondContact OD1-CG 2.78Å; N52-M55 PolarHBondContact OD1-N 3.06Å; N52-V56 WeakPolarHBondContact O-CG2 3.46Å; N52-V56 PolarHBondContact O-N 3.29Å
53A98.2Very high92.6Very high16 Ų1688.2 Ų88.213%0.13242%0.422CS..Hα-helixtrans-52.4-47.1-17500000113.5M55 V56 W57 W85 F96 I97 A100A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 3.36Å; A53-V56 PolarHBondContact O-N 3.08Å; A53-W57 PolarHBondContact O-N 2.99Å; A53-W85 HydrophobicContact CB-CH2 3.96Å; A53-W85 HydrophobicContact CB-CZ2 3.99Å; A53-F96 WeakPolarHBondContact CA-O 3.41Å; A53-I97 HydrophobicContact CB-CB 4.48Å; A53-I97 HydrophobicContact CB-CG1 3.85Å; A53-A100 HydrophobicContact CB-CB 4.17Å; A53-A100 VanDerWaalsContact N-CB 3.3Å
54F98.5Very high94.5Very high44 Ų4488.2 Ų88.219%0.19341%0.41CS..Hα-helixtrans-61.5-39.1175.5172.2-99.9000112.8N52 W57 S58 W85N52-F54 VanDerWaalsContact C-N 3.33Å; N52-F54 PolarHBondContact O-N 3.15Å; N52-F54 PolarHBondContact OD1-N 2.98Å; F54-W57 AromaticContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CZ3 4.1Å; F54-W57 HydrophobicContact CE2-CE3 4.11Å; F54-W57 AromaticContact CE2-CZ3 3.8Å; F54-W57 HydrophobicContact CE2-CZ3 3.8Å; F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 2.88Å; F54-S58 PolarHBondContact O-OG 2.88Å; F54-W85 HydrophobicContact CB-CD2 4.37Å; F54-W85 HydrophobicContact CD2-CB 3.74Å; F54-W85 AromaticContact CD2-CD1 3.92Å; F54-W85 AromaticContact CD2-CD2 3.96Å; F54-W85 HydrophobicContact CD2-CD2 3.96Å; F54-W85 AromaticContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CE2-CB 3.95Å; F54-W85 HydrophobicContact CE2-CG 4.27Å
55M98.4Very high96.2Very high86 Ų8680.9 Ų80.942%0.42437%0.374SS..Hα-helixtrans-71.8-32.2178.1-69.4-66.5175.100112.5M51 N52 A53 R59M51-M55 HydrophobicContact CB-CB 3.98Å; M51-M55 HydrophobicContact CG-CB 4.29Å; N52-M55 WeakPolarHBondContact O-CA 3.48Å; N52-M55 PolarHBondContact O-N 3.16Å; N52-M55 WeakPolarHBondContact OD1-CB 3.41Å; N52-M55 VanDerWaalsContact OD1-CG 3.22Å; N52-M55 WeakPolarHBondContact OD1-CG 2.78Å; N52-M55 PolarHBondContact OD1-N 3.06Å; A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 3.36Å; M55-R59 PolarHBondContact O-N 3.15Å
56V98.5Very high97.2Very high27 Ų2777 Ų7716%0.16436%0.359CS..Hα-helixtrans-64.3-56171177.50000109.8M51 N52 A53 R59 F96 E99 A100 L103M51-V56 HydrophobicContact CB-CG2 3.82Å; M51-V56 HydrophobicContact CE-CG2 4.37Å; N52-V56 WeakPolarHBondContact O-CG2 3.46Å; N52-V56 PolarHBondContact O-N 3.29Å; A53-V56 PolarHBondContact O-N 3.08Å; V56-R59 WeakPolarHBondContact O-CB 3.4Å; V56-R59 PolarHBondContact O-N 3.3Å; V56-F96 HydrophobicContact CG1-CD1 4.16Å; V56-E99 HydrophobicContact CG1-CB 4.33Å; V56-E99 HydrophobicContact CG1-CG 3.74Å; V56-E99 HydrophobicContact CG2-CG 4.41Å; V56-A100 HydrophobicContact CG2-CB 4.3Å; V56-L103 HydrophobicContact CG2-CD1 3.72Å
57W98.5Very high97.6Very high15 Ų1577.7 Ų77.76%0.05737%0.365CS..Hα-helixtrans-60.8-51.7-179.5170.483.9000112.9A53 F54 R59 G60 Q61 L81 E84 W85 L88 F96A53-W57 PolarHBondContact O-N 2.99Å; F54-W57 AromaticContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CZ3 4.1Å; F54-W57 HydrophobicContact CE2-CE3 4.11Å; F54-W57 AromaticContact CE2-CZ3 3.8Å; F54-W57 HydrophobicContact CE2-CZ3 3.8Å; W57-R59 PolarHBondContact O-N 3.07Å; W57-R59 VanDerWaalsContact O-N 3.1Å; W57-G60 PolarHBondContact O-N 3.08Å; W57-Q61 HydrophobicContact CD2-CG 4.2Å; W57-Q61 HydrophobicContact CH2-CG 4.33Å; W57-Q61 HydrophobicContact CZ2-CB 4.46Å; W57-Q61 HydrophobicContact CZ2-CG 3.75Å; W57-L81 HydrophobicContact CH2-CB 4.17Å; W57-L81 HydrophobicContact CH2-CD2 3.84Å; W57-L81 WeakPolarHBondContact CH2-O 3.48Å; W57-L81 HydrophobicContact CZ3-CB 3.93Å; W57-L81 HydrophobicContact CZ3-CD2 4.18Å; W57-L81 VanDerWaalsContact CZ3-O 3.27Å; W57-L81 WeakPolarHBondContact CZ3-O 3.49Å; W57-E84 HydrophobicContact CH2-CB 3.84Å; W57-E84 HydrophobicContact CZ2-CB 4.23Å; W57-W85 HydrophobicContact CB-CE3 4.01Å; W57-W85 HydrophobicContact CB-CZ3 3.61Å; W57-W85 AromaticContact CD2-CE3 3.52Å; W57-W85 HydrophobicContact CD2-CE3 3.52Å; W57-W85 AromaticContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CE3-CB 4.17Å; W57-W85 HydrophobicContact CE3-CD2 4.28Å; W57-W85 AromaticContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CZ3 4.39Å; W57-W85 AromaticContact CG-CE3 3.7Å; W57-W85 HydrophobicContact CG-CE3 3.7Å; W57-W85 AromaticContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CH2-CB 4.11Å; W57-W85 HydrophobicContact CZ3-CB 3.74Å; W57-W85 HydrophobicContact CZ3-CE3 4.3Å; W57-L88 HydrophobicContact CD2-CD1 4.43Å; W57-L88 HydrophobicContact CZ2-CD1 3.98Å; W57-F96 HydrophobicContact CB-CB 4.2Å; W57-F96 HydrophobicContact CB-CD1 3.79Å; W57-F96 HydrophobicContact CB-CD2 4.17Å; W57-F96 HydrophobicContact CB-CE1 4.23Å; W57-F96 HydrophobicContact CB-CG 3.76Å; W57-F96 AromaticContact CD1-CD2 3.89Å; W57-F96 AromaticContact CD1-CE2 3.58Å; W57-F96 AromaticContact CD1-CZ 3.68Å; W57-F96 HydrophobicContact CG-CD2 4.37Å; W57-F96 HydrophobicContact CG-CE2 4.44Å; W57-F96 HydrophobicContact CG-CG 4.42Å
58S98.2Very high97.6Very high0 Ų081 Ų810%038%0.377CS..Hα-helixtrans-66.6-15.1-175.866.70000113.3F54 R62F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 2.88Å; F54-S58 PolarHBondContact O-OG 2.88Å; S58-R62 WeakPolarHBondContact O-CB 3.37Å; S58-R62 PolarHBondContact O-N 3.44Å; S58-R62 PolarHBondContact O-NH1 3.07Å; S58-R62 PolarHBondContact OG-NH1 3.42Å
59R97.9Very high97.5Very high173 Ų17375.5 Ų75.565%0.65336%0.356SS*.Hα-helixtrans-63.2-42.6174.9-171.1179.1-176.8-164.80.9111.7M55 V56 W57M55-R59 PolarHBondContact O-N 3.15Å; V56-R59 WeakPolarHBondContact O-CB 3.4Å; V56-R59 PolarHBondContact O-N 3.3Å; W57-R59 PolarHBondContact O-N 3.07Å; W57-R59 VanDerWaalsContact O-N 3.1Å
60G96.8Very high97.3Very high33 Ų3373.2 Ų73.234%0.3436%0.362SS..Hα-helixtrans-71-51.7176.300000111.7W57 R62 R63 K64W57-G60 PolarHBondContact O-N 3.08Å; G60-R62 PolarHBondContact O-N 3.42Å; G60-R63 WeakPolarHBondContact O-CB 3.31Å; G60-R63 PolarHBondContact O-N 3.1Å; G60-K64 PolarHBondContact O-N 3.31Å; G60-K64 VanDerWaalsContact O-N 3.1Å
61Q97.8Very high97.2Very high64 Ų6481.1 Ų81.130%0.29939%0.392SS..Hα-helixtrans-66.3-39.3-175.3-55.4-56.8-13.500112.9W57 R63 K64 M65 L81W57-Q61 HydrophobicContact CD2-CG 4.2Å; W57-Q61 HydrophobicContact CH2-CG 4.33Å; W57-Q61 HydrophobicContact CZ2-CB 4.46Å; W57-Q61 HydrophobicContact CZ2-CG 3.75Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 3.18Å; Q61-K64 PolarHBondContact O-N 3.47Å; Q61-M65 WeakPolarHBondContact O-CG 3.43Å; Q61-M65 PolarHBondContact O-N 2.97Å; Q61-L81 HydrophobicContact CB-CD1 4.49Å; Q61-L81 HydrophobicContact CB-CD2 3.38Å; Q61-L81 HydrophobicContact CG-CD2 4.41Å
62R98Very high97Very high58 Ų5879.4 Ų79.422%0.21938%0.384CS..Hα-helixtrans-58-39.2173.6-179.5-174.5-76.1105.30.5112.1S58 G60 A66 I77 S78 L81S58-R62 WeakPolarHBondContact O-CB 3.37Å; S58-R62 PolarHBondContact O-N 3.44Å; S58-R62 PolarHBondContact O-NH1 3.07Å; S58-R62 PolarHBondContact OG-NH1 3.42Å; G60-R62 PolarHBondContact O-N 3.42Å; R62-A66 WeakPolarHBondContact O-CB 3.2Å; R62-A66 PolarHBondContact O-N 3.32Å; R62-I77 HydrophobicContact CB-CG2 4.3Å; R62-I77 HydrophobicContact CG-CG2 3.99Å; R62-S78 PolarHBondContact NH2-OG 3.07Å; R62-L81 HydrophobicContact CB-CD1 3.7Å
63R97.8Very high97Very high189 Ų18981.9 Ų81.971%0.71339%0.392SS*.Hα-helixtrans-68-43.8177.4-178.217561-162.4-0.5111G60 Q61 A66 Q67G60-R63 WeakPolarHBondContact O-CB 3.31Å; G60-R63 PolarHBondContact O-N 3.1Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 3.18Å; R63-A66 PolarHBondContact O-N 3.17Å; R63-Q67 WeakPolarHBondContact O-CB 3.41Å; R63-Q67 PolarHBondContact O-N 2.81Å; R63-Q67 VanDerWaalsContact O-N 3.08Å
64K97.6Very high96.9Very high115 Ų11584.8 Ų84.850%0.541%0.405SS..Hα-helixtrans-57.8-56.1174.8-178.7-177.7170-176.60111.2G60 Q61 A66 Q67 E68G60-K64 PolarHBondContact O-N 3.31Å; G60-K64 VanDerWaalsContact O-N 3.1Å; Q61-K64 PolarHBondContact O-N 3.47Å; K64-A66 VanDerWaalsContact C-N 3.31Å; K64-A66 PolarHBondContact O-N 2.9Å; K64-Q67 WeakPolarHBondContact O-CB 3.34Å; K64-Q67 PolarHBondContact O-N 3.49Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact CG-OE1 3.36Å; K64-E68 IonicContact NZ-OE1 3.86Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.03Å
65M96.3Very high96.8Very high19 Ų1985.9 Ų85.99%0.09442%0.419CS..Hα-helixtrans-60.3-37.8-179.3-67-171.680.900113.4Q61 Q67 N69 I77 R80 L81Q61-M65 WeakPolarHBondContact O-CG 3.43Å; Q61-M65 PolarHBondContact O-N 2.97Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-N69 WeakPolarHBondContact O-CB 2.97Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.77Å; M65-I77 HydrophobicContact CB-CG1 4.5Å; M65-I77 HydrophobicContact CB-CG2 3.95Å; M65-I77 HydrophobicContact SD-CG2 3.95Å; M65-R80 HydrophobicContact CE-CB 3.87Å; M65-R80 HydrophobicContact CE-CG 4.41Å; M65-L81 HydrophobicContact CG-CD2 4.5Å; M65-L81 HydrophobicContact SD-CD2 3.52Å; M65-L81 VanDerWaalsContact SD-CD2 3.52Å; M65-L81 HydrophobicContact SD-CG 3.78Å
66A97.1Very high96.8Very high40 Ų4084.4 Ų84.433%0.33141%0.411SS..Hα-helixtrans-68.3-32.7176.900000112.6R62 R63 K64 N69 P70 I77R62-A66 WeakPolarHBondContact O-CB 3.2Å; R62-A66 PolarHBondContact O-N 3.32Å; R63-A66 PolarHBondContact O-N 3.17Å; K64-A66 VanDerWaalsContact C-N 3.31Å; K64-A66 PolarHBondContact O-N 2.9Å; A66-N69 CarbonylContact O-C 3.39Å; A66-P70 VanDerWaalsContact O-CA 3.3Å; A66-P70 WeakPolarHBondContact O-CA 3.35Å; A66-I77 HydrophobicContact CB-CD1 3.94Å
67Q97.1Very high96.8Very high161 Ų16183.2 Ų83.275%0.75240%0.403SS*.Hα-helixtrans-73.2-40.7175.6-170.562.743.500111.7R63 K64 M65 N69R63-Q67 WeakPolarHBondContact O-CB 3.41Å; R63-Q67 PolarHBondContact O-N 2.81Å; R63-Q67 VanDerWaalsContact O-N 3.08Å; K64-Q67 WeakPolarHBondContact O-CB 3.34Å; K64-Q67 PolarHBondContact O-N 3.49Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-N69 VanDerWaalsContact C-N 3.35Å
68E95.4Very high96.7Very high114 Ų11484.3 Ų84.353%0.53341%0.413SS..Hα-helixtrans-71-30.9176.7-68.5167.9169.100112.2K64K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact CG-OE1 3.36Å; K64-E68 IonicContact NZ-OE1 3.86Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.03Å
69N92.3Very high96.7Very high67 Ų6790.6 Ų90.636%0.35844%0.44SS..  trans-131.869.8-176.2-60.2-101.4000111M65 A66 Q67 K71 M72M65-N69 WeakPolarHBondContact O-CB 2.97Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.77Å; A66-N69 CarbonylContact O-C 3.39Å; Q67-N69 VanDerWaalsContact C-N 3.35Å; N69-K71 PolarHBondContact O-N 3.1Å; N69-M72 HydrophobicContact CB-CB 3.71Å; N69-M72 HydrophobicContact CB-CE 3.83Å; N69-M72 HydrophobicContact CB-SD 4.5Å; N69-M72 VanDerWaalsContact O-CB 3.31Å; N69-M72 WeakPolarHBondContact O-CB 3.29Å; N69-M72 PolarHBondContact O-N 2.65Å
70P93.9Very high96.7Very high113 Ų11387.7 Ų87.773%0.73443%0.429SS*.THydrogen-bonded Turntrans-64.1-17.7-174.324.8-34.9000114.4A66A66-P70 VanDerWaalsContact O-CA 3.3Å; A66-P70 WeakPolarHBondContact O-CA 3.35Å
71K95.9Very high96.8Very high209 Ų20986.1 Ų86.191%0.90941%0.413SS*.THydrogen-bonded Turntrans-86.9-9.1172.9-63.4-176.9179.91790113.7N69N69-K71 PolarHBondContact O-N 3.1Å
72M95.3Very high96.8Very high35 Ų3584.1 Ų84.117%0.17241%0.41CS..SBendtrans-81.2123-177-170.8-176.3-6500111N69 E76 I77N69-M72 HydrophobicContact CB-CB 3.71Å; N69-M72 HydrophobicContact CB-CE 3.83Å; N69-M72 HydrophobicContact CB-SD 4.5Å; N69-M72 VanDerWaalsContact O-CB 3.31Å; N69-M72 WeakPolarHBondContact O-CB 3.29Å; N69-M72 PolarHBondContact O-N 2.65Å; M72-E76 HydrophobicContact CG-CB 3.95Å; M72-E76 HydrophobicContact CG-CG 3.8Å; M72-E76 HydrophobicContact SD-CB 4.42Å; M72-E76 HydrophobicContact SD-CG 3.89Å; M72-I77 HydrophobicContact CB-CD1 4.48Å; M72-I77 HydrophobicContact CB-CG1 4.28Å; M72-I77 HydrophobicContact CG-CG1 3.82Å; M72-I77 HydrophobicContact SD-CG1 3.57Å; M72-I77 VanDerWaalsContact SD-CG1 3.57Å
73H97.1Very high96.9Very high141 Ų14183.9 Ų83.965%0.65342%0.42SS*.  trans-70.8149.7-178.9-166.162.9000112.5S75 E76 I77H73-S75 PolarHBondContact CD2-OG 2.97Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-S75 VanDerWaalsContact O-N 3.14Å; H73-E76 WeakPolarHBondContact O-CB 3.47Å; H73-E76 PolarHBondContact O-N 3.41Å; H73-I77 PolarHBondContact O-N 2.98Å
74N96.1Very high96.9Very high77 Ų7778.6 Ų78.641%0.41240%0.404SS..Hα-helixtrans-63.2-26.4-171.1-158.5-84.8000114.2E76 S78N74-E76 VanDerWaalsContact C-N 3.31Å; N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.35Å; N74-S78 PolarHBondContact O-N 2.94Å; N74-S78 PolarHBondContact O-OG 3.36Å; N74-S78 PolarHBondContact OD1-OG 2.89Å
75S97.4Very high96.9Very high68 Ų6875.2 Ų75.248%0.47639%0.388SS..Hα-helixtrans-66.5-33.1174670000112.4H73 K79H73-S75 PolarHBondContact CD2-OG 2.97Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-S75 VanDerWaalsContact O-N 3.14Å; S75-K79 VanDerWaalsContact O-CE 3.31Å; S75-K79 WeakPolarHBondContact O-CE 3.4Å; S75-K79 WeakPolarHBondContact O-CG 3.43Å; S75-K79 PolarHBondContact O-N 3.36Å; S75-K79 VanDerWaalsContact O-N 3.11Å
76E97.8Very high97Very high55 Ų5582.1 Ų82.126%0.25742%0.417SS..Hα-helixtrans-75.7-45.9176-179.358.2-16100111M72 H73 N74 S78 K79 R80M72-E76 HydrophobicContact CG-CB 3.95Å; M72-E76 HydrophobicContact CG-CG 3.8Å; M72-E76 HydrophobicContact SD-CB 4.42Å; M72-E76 HydrophobicContact SD-CG 3.89Å; H73-E76 WeakPolarHBondContact O-CB 3.47Å; H73-E76 PolarHBondContact O-N 3.41Å; N74-E76 VanDerWaalsContact C-N 3.31Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.25Å; E76-K79 WeakPolarHBondContact O-CB 3.45Å; E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 VanDerWaalsContact O-N 3.15Å; E76-K79 WeakPolarHBondContact OE2-CE 3.42Å; E76-K79 IonicContact OE2-NZ 2.63Å; E76-K79 PolarHBondContact OE2-NZ 3.19Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 IonicContact OE1-CZ 3.35Å; E76-R80 IonicContact OE1-NE 2.81Å; E76-R80 PolarHBondContact OE1-NE 2.63Å; E76-R80 IonicContact OE1-NH2 2.97Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å
77I97.8Very high97Very high2 Ų287.4 Ų87.41%0.0144%0.439CS..Hα-helixtrans-54.9-48.5172.2-61.4173.4000110.1R62 M65 A66 M72 H73 K79 R80 L81R62-I77 HydrophobicContact CB-CG2 4.3Å; R62-I77 HydrophobicContact CG-CG2 3.99Å; M65-I77 HydrophobicContact CB-CG1 4.5Å; M65-I77 HydrophobicContact CB-CG2 3.95Å; M65-I77 HydrophobicContact SD-CG2 3.95Å; A66-I77 HydrophobicContact CB-CD1 3.94Å; M72-I77 HydrophobicContact CB-CD1 4.48Å; M72-I77 HydrophobicContact CB-CG1 4.28Å; M72-I77 HydrophobicContact CG-CG1 3.82Å; M72-I77 HydrophobicContact SD-CG1 3.57Å; M72-I77 VanDerWaalsContact SD-CG1 3.57Å; H73-I77 PolarHBondContact O-N 2.98Å; I77-K79 VanDerWaalsContact C-N 3.31Å; I77-K79 PolarHBondContact O-N 3.23Å; I77-R80 PolarHBondContact O-N 2.95Å; I77-L81 HydrophobicContact CG2-CD1 3.79Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.36Å
78S98Very high97.1Very high37 Ų3781.4 Ų81.426%0.25941%0.412SS..Hα-helixtrans-67.5-28.6-178.9-62.40000113.4R62 N74 E76 G82R62-S78 PolarHBondContact NH2-OG 3.07Å; N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.35Å; N74-S78 PolarHBondContact O-N 2.94Å; N74-S78 PolarHBondContact O-OG 3.36Å; N74-S78 PolarHBondContact OD1-OG 2.89Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.25Å; S78-G82 PolarHBondContact O-N 2.97Å; S78-G82 VanDerWaalsContact O-N 3.15Å
79K98.4Very high97.2Very high132 Ų13279.6 Ų79.657%0.57441%0.409SS*.Hα-helixtrans-65.4-49.1170.7-87.1-179.1-83.3152.10111.4S75 E76 I77 G82 A83S75-K79 VanDerWaalsContact O-CE 3.31Å; S75-K79 WeakPolarHBondContact O-CE 3.4Å; S75-K79 WeakPolarHBondContact O-CG 3.43Å; S75-K79 PolarHBondContact O-N 3.36Å; S75-K79 VanDerWaalsContact O-N 3.11Å; E76-K79 WeakPolarHBondContact O-CB 3.45Å; E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 VanDerWaalsContact O-N 3.15Å; E76-K79 WeakPolarHBondContact OE2-CE 3.42Å; E76-K79 IonicContact OE2-NZ 2.63Å; E76-K79 PolarHBondContact OE2-NZ 3.19Å; I77-K79 VanDerWaalsContact C-N 3.31Å; I77-K79 PolarHBondContact O-N 3.23Å; K79-G82 PolarHBondContact O-N 3.3Å; K79-A83 PolarHBondContact O-N 3.17Å
80R98Very high97.5Very high112 Ų11282.1 Ų82.142%0.42342%0.423SS..Hα-helixtrans-63-48.3-179.6-66.5178.1-173.3-151.21.4112.2M65 E76 I77 G82 A83 E84M65-R80 HydrophobicContact CE-CB 3.87Å; M65-R80 HydrophobicContact CE-CG 4.41Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 IonicContact OE1-CZ 3.35Å; E76-R80 IonicContact OE1-NE 2.81Å; E76-R80 PolarHBondContact OE1-NE 2.63Å; E76-R80 IonicContact OE1-NH2 2.97Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å; I77-R80 PolarHBondContact O-N 2.95Å; R80-G82 PolarHBondContact O-N 3.42Å; R80-A83 WeakPolarHBondContact O-CA 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.14Å; R80-E84 PolarHBondContact O-N 3.3Å
81L98.2Very high97.7Very high0 Ų080.3 Ų80.30%042%0.417CS..Hα-helixtrans-58.3-34.5174.2-66.9178.6000112.8W57 Q61 R62 M65 I77 A83 W85W57-L81 HydrophobicContact CH2-CB 4.17Å; W57-L81 HydrophobicContact CH2-CD2 3.84Å; W57-L81 WeakPolarHBondContact CH2-O 3.48Å; W57-L81 HydrophobicContact CZ3-CB 3.93Å; W57-L81 HydrophobicContact CZ3-CD2 4.18Å; W57-L81 VanDerWaalsContact CZ3-O 3.27Å; W57-L81 WeakPolarHBondContact CZ3-O 3.49Å; Q61-L81 HydrophobicContact CB-CD1 4.49Å; Q61-L81 HydrophobicContact CB-CD2 3.38Å; Q61-L81 HydrophobicContact CG-CD2 4.41Å; R62-L81 HydrophobicContact CB-CD1 3.7Å; M65-L81 HydrophobicContact CG-CD2 4.5Å; M65-L81 HydrophobicContact SD-CD2 3.52Å; M65-L81 VanDerWaalsContact SD-CD2 3.52Å; M65-L81 HydrophobicContact SD-CG 3.78Å; I77-L81 HydrophobicContact CG2-CD1 3.79Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.36Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.98Å; L81-W85 WeakPolarHBondContact O-CB 3.47Å; L81-W85 PolarHBondContact O-N 2.71Å
82G98.3Very high97.8Very high23 Ų2375 Ų7524%0.23740%0.395CS..Hα-helixtrans-67.7-25.8174.800000114S78 K79 R80 K86S78-G82 PolarHBondContact O-N 2.97Å; S78-G82 VanDerWaalsContact O-N 3.15Å; K79-G82 PolarHBondContact O-N 3.3Å; R80-G82 PolarHBondContact O-N 3.42Å; G82-K86 WeakPolarHBondContact O-CG 3.27Å
83A98.4Very high97.9Very high52 Ų5274.7 Ų74.743%0.4339%0.393SS..Hα-helixtrans-80.9-50172.500000111.1K79 R80 L81 W85 K86 L87K79-A83 PolarHBondContact O-N 3.17Å; R80-A83 WeakPolarHBondContact O-CA 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.14Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.98Å; A83-W85 VanDerWaalsContact C-N 3.33Å; A83-W85 PolarHBondContact O-N 3.05Å; A83-K86 WeakPolarHBondContact O-CB 3.29Å; A83-K86 PolarHBondContact O-N 2.94Å; A83-L87 PolarHBondContact O-N 2.67Å
84E98.1Very high98Very high78 Ų7876 Ų7636%0.36439%0.392SS..Hα-helixtrans-54-45.9176.4-73.2168.4-153.600112.2W57 R80 K86 L87 L88W57-E84 HydrophobicContact CH2-CB 3.84Å; W57-E84 HydrophobicContact CZ2-CB 4.23Å; R80-E84 PolarHBondContact O-N 3.3Å; E84-K86 PolarHBondContact O-N 2.94Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L88 PolarHBondContact O-N 3.29Å; E84-L88 VanDerWaalsContact O-N 3.1Å
85W98.4Very high98.1Very high44 Ų4476 Ų7617%0.16740%0.396CS..Hα-helixtrans-58.4-30.9177.1178-101.6000113.9A53 F54 W57 L81 A83 L88 K93 F96A53-W85 HydrophobicContact CB-CH2 3.96Å; A53-W85 HydrophobicContact CB-CZ2 3.99Å; F54-W85 HydrophobicContact CB-CD2 4.37Å; F54-W85 HydrophobicContact CD2-CB 3.74Å; F54-W85 AromaticContact CD2-CD1 3.92Å; F54-W85 AromaticContact CD2-CD2 3.96Å; F54-W85 HydrophobicContact CD2-CD2 3.96Å; F54-W85 AromaticContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CE2-CB 3.95Å; F54-W85 HydrophobicContact CE2-CG 4.27Å; W57-W85 HydrophobicContact CB-CE3 4.01Å; W57-W85 HydrophobicContact CB-CZ3 3.61Å; W57-W85 AromaticContact CD2-CE3 3.52Å; W57-W85 HydrophobicContact CD2-CE3 3.52Å; W57-W85 AromaticContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CE3-CB 4.17Å; W57-W85 HydrophobicContact CE3-CD2 4.28Å; W57-W85 AromaticContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CZ3 4.39Å; W57-W85 AromaticContact CG-CE3 3.7Å; W57-W85 HydrophobicContact CG-CE3 3.7Å; W57-W85 AromaticContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CH2-CB 4.11Å; W57-W85 HydrophobicContact CZ3-CB 3.74Å; W57-W85 HydrophobicContact CZ3-CE3 4.3Å; L81-W85 WeakPolarHBondContact O-CB 3.47Å; L81-W85 PolarHBondContact O-N 2.71Å; A83-W85 VanDerWaalsContact C-N 3.33Å; A83-W85 PolarHBondContact O-N 3.05Å; W85-L88 HydrophobicContact CE3-CD1 3.78Å; W85-L88 HydrophobicContact CZ3-CD1 4.16Å; W85-K93 HydrophobicContact CE3-CG 4.47Å; W85-K93 HydrophobicContact CH2-CB 3.92Å; W85-K93 HydrophobicContact CH2-CG 3.72Å; W85-K93 HydrophobicContact CZ2-CB 4.29Å; W85-K93 HydrophobicContact CZ2-CD 4.35Å; W85-K93 HydrophobicContact CZ2-CG 3.88Å; W85-K93 HydrophobicContact CZ3-CG 4.03Å; W85-K93 WeakPolarHBondContact O-CE 3.4Å; W85-F96 HydrophobicContact CH2-CB 4.18Å; W85-F96 HydrophobicContact CZ3-CB 4.36Å; W85-F96 HydrophobicContact CZ3-CD2 4.27Å
86K98.2Very high98.1Very high164 Ų16475.7 Ų75.771%0.71339%0.386SS*.Hα-helixtrans-72.9-35.1176.4-69.9175178.5-175.30111.6G82 A83 E84G82-K86 WeakPolarHBondContact O-CG 3.27Å; A83-K86 WeakPolarHBondContact O-CB 3.29Å; A83-K86 PolarHBondContact O-N 2.94Å; E84-K86 PolarHBondContact O-N 2.94Å
87L98.1Very high98.2Very high151 Ų15176 Ų7679%0.79139%0.389SS*.Hα-helixtrans-75.7-26.9-179-63.5173.5000113.4A83 E84A83-L87 PolarHBondContact O-N 2.67Å; E84-L87 PolarHBondContact O-N 3.1Å
88L97.9Very high98.2Very high35 Ų3579.3 Ų79.318%0.18341%0.407CS..SBendtrans-56.2139.5173.8-67.5177.2000111.5W57 E84 W85 E92 K93W57-L88 HydrophobicContact CD2-CD1 4.43Å; W57-L88 HydrophobicContact CZ2-CD1 3.98Å; E84-L88 PolarHBondContact O-N 3.29Å; E84-L88 VanDerWaalsContact O-N 3.1Å; W85-L88 HydrophobicContact CE3-CD1 3.78Å; W85-L88 HydrophobicContact CZ3-CD1 4.16Å; L88-E92 HydrophobicContact CB-CB 4.31Å; L88-E92 HydrophobicContact CD2-CB 4.24Å; L88-K93 HydrophobicContact CB-CG 4.05Å; L88-K93 WeakPolarHBondContact O-CE 3.11Å; L88-K93 PolarHBondContact O-NZ 3Å
89T98.4Very high98.2Very high76 Ų7680.5 Ų80.547%0.46641%0.408SS..  trans-68.8160.8171.864.50000111.4A91 E92 K93T89-A91 PolarHBondContact O-N 2.82Å; T89-E92 WeakPolarHBondContact CB-OE2 3.48Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.27Å; T89-E92 PolarHBondContact N-OE2 3.28Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 WeakPolarHBondContact OG1-CG 2.99Å; T89-E92 PolarHBondContact OG1-N 3.41Å; T89-E92 PolarHBondContact OG1-OE2 2.93Å; T89-K93 WeakPolarHBondContact O-CG 3.32Å; T89-K93 PolarHBondContact O-N 3.42Å
90D97.6Very high98.2Very high121 Ų12174.8 Ų74.865%0.64739%0.386SS*.Hα-helixtrans-66.7-23.9176.6-69.1-21.4000112.8K93 R94D90-K93 WeakPolarHBondContact OD1-CD 3.42Å; D90-K93 IonicContact OD1-NZ 2.72Å; D90-R94 WeakPolarHBondContact O-CB 3.27Å; D90-R94 PolarHBondContact O-N 3Å
91A98.1Very high98.3Very high74 Ų7475.3 Ų75.361%0.61239%0.391SS*.Hα-helixtrans-64.7-45.7170.600000111.8T89 R94 P95T89-A91 PolarHBondContact O-N 2.82Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.1Å; A91-R94 PolarHBondContact O-N 2.98Å; A91-P95 WeakPolarHBondContact O-CD 3.49Å
92E97.9Very high98.3Very high97 Ų9781.2 Ų81.245%0.45341%0.414SS..Hα-helixtrans-69.8-33.8176.7-67.3163111.200112.5L88 T89 R94 P95 F96L88-E92 HydrophobicContact CB-CB 4.31Å; L88-E92 HydrophobicContact CD2-CB 4.24Å; T89-E92 WeakPolarHBondContact CB-OE2 3.48Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.27Å; T89-E92 PolarHBondContact N-OE2 3.28Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 WeakPolarHBondContact OG1-CG 2.99Å; T89-E92 PolarHBondContact OG1-N 3.41Å; T89-E92 PolarHBondContact OG1-OE2 2.93Å; E92-R94 VanDerWaalsContact C-N 3.35Å; E92-P95 WeakPolarHBondContact O-CD 3.45Å; E92-F96 VanDerWaalsContact O-CD2 3.27Å; E92-F96 WeakPolarHBondContact O-CD2 3.47Å; E92-F96 VanDerWaalsContact O-CE2 3.29Å; E92-F96 WeakPolarHBondContact O-CE2 3.34Å
93K98.3Very high98.3Very high30 Ų3082 Ų8213%0.1341%0.412CS..Hα-helixtrans-70.4-29.9174.8-68.9162.3173.81480112.5W85 L88 T89 D90 F96 I97W85-K93 HydrophobicContact CE3-CG 4.47Å; W85-K93 HydrophobicContact CH2-CB 3.92Å; W85-K93 HydrophobicContact CH2-CG 3.72Å; W85-K93 HydrophobicContact CZ2-CB 4.29Å; W85-K93 HydrophobicContact CZ2-CD 4.35Å; W85-K93 HydrophobicContact CZ2-CG 3.88Å; W85-K93 HydrophobicContact CZ3-CG 4.03Å; W85-K93 WeakPolarHBondContact O-CE 3.4Å; L88-K93 HydrophobicContact CB-CG 4.05Å; L88-K93 WeakPolarHBondContact O-CE 3.11Å; L88-K93 PolarHBondContact O-NZ 3Å; T89-K93 WeakPolarHBondContact O-CG 3.32Å; T89-K93 PolarHBondContact O-N 3.42Å; D90-K93 WeakPolarHBondContact OD1-CD 3.42Å; D90-K93 IonicContact OD1-NZ 2.72Å; K93-F96 PolarHBondContact O-N 3.15Å; K93-I97 HydrophobicContact CB-CD1 3.83Å; K93-I97 HydrophobicContact CB-CG1 4.43Å; K93-I97 WeakPolarHBondContact O-CG1 3.32Å; K93-I97 PolarHBondContact O-N 3.18Å
94R98.4Very high98.3Very high168 Ų16887.4 Ų87.463%0.63442%0.421SS*.Hα-helixtrans-47.6-53.9-173.8-153.8172.4-171.7140.8-0.9114.8D90 A91 E92 F96 I97 D98D90-R94 WeakPolarHBondContact O-CB 3.27Å; D90-R94 PolarHBondContact O-N 3Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.1Å; A91-R94 PolarHBondContact O-N 2.98Å; E92-R94 VanDerWaalsContact C-N 3.35Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.33Å; R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.39Å; R94-I97 VanDerWaalsContact O-N 3.12Å; R94-D98 PolarHBondContact O-N 2.71Å
95P98.4Very high98.3Very high76 Ų7686.7 Ų86.749%0.49443%0.428SS..Hα-helixtrans-58.9-36.7178.722.2-34.6000113.2A91 E92 E99A91-P95 WeakPolarHBondContact O-CD 3.49Å; E92-P95 WeakPolarHBondContact O-CD 3.45Å; P95-E99 WeakPolarHBondContact O-CB 3.31Å; P95-E99 PolarHBondContact O-N 3.36Å
96F98.4Very high98.3Very high62 Ų6287.2 Ų87.227%0.27244%0.437SS..Hα-helixtrans-76.3-30.2178.6-51.4-72.4000112.7A53 V56 W57 W85 E92 K93 R94 A100A53-F96 WeakPolarHBondContact CA-O 3.41Å; V56-F96 HydrophobicContact CG1-CD1 4.16Å; W57-F96 HydrophobicContact CB-CB 4.2Å; W57-F96 HydrophobicContact CB-CD1 3.79Å; W57-F96 HydrophobicContact CB-CD2 4.17Å; W57-F96 HydrophobicContact CB-CE1 4.23Å; W57-F96 HydrophobicContact CB-CG 3.76Å; W57-F96 AromaticContact CD1-CD2 3.89Å; W57-F96 AromaticContact CD1-CE2 3.58Å; W57-F96 AromaticContact CD1-CZ 3.68Å; W57-F96 HydrophobicContact CG-CD2 4.37Å; W57-F96 HydrophobicContact CG-CE2 4.44Å; W57-F96 HydrophobicContact CG-CG 4.42Å; W85-F96 HydrophobicContact CH2-CB 4.18Å; W85-F96 HydrophobicContact CZ3-CB 4.36Å; W85-F96 HydrophobicContact CZ3-CD2 4.27Å; E92-F96 VanDerWaalsContact O-CD2 3.27Å; E92-F96 WeakPolarHBondContact O-CD2 3.47Å; E92-F96 VanDerWaalsContact O-CE2 3.29Å; E92-F96 WeakPolarHBondContact O-CE2 3.34Å; K93-F96 PolarHBondContact O-N 3.15Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.33Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 2.68Å
97I98.3Very high98.3Very high62 Ų6280.3 Ų80.332%0.31841%0.407SS..Hα-helixtrans-65.7-47.2171.2-70.6167.1000110A53 K93 R94 A100 K101A53-I97 HydrophobicContact CB-CB 4.48Å; A53-I97 HydrophobicContact CB-CG1 3.85Å; K93-I97 HydrophobicContact CB-CD1 3.83Å; K93-I97 HydrophobicContact CB-CG1 4.43Å; K93-I97 WeakPolarHBondContact O-CG1 3.32Å; K93-I97 PolarHBondContact O-N 3.18Å; R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.39Å; R94-I97 VanDerWaalsContact O-N 3.12Å; I97-A100 PolarHBondContact O-N 2.92Å; I97-K101 WeakPolarHBondContact O-CG 3.48Å; I97-K101 PolarHBondContact O-N 3.21Å
98D98.6Very high98.3Very high71 Ų7177.3 Ų77.338%0.3839%0.39SS..Hα-helixtrans-71.6-37.4-177.9-66.1-29.7000112R94 A100 K101 R102R94-D98 PolarHBondContact O-N 2.71Å; D98-A100 PolarHBondContact O-N 3.12Å; D98-K101 WeakPolarHBondContact O-CB 3.44Å; D98-K101 PolarHBondContact O-N 3.47Å; D98-K101 WeakPolarHBondContact OD1-CE 3.4Å; D98-K101 IonicContact OD1-NZ 3.43Å; D98-K101 PolarHBondContact OD1-NZ 3.32Å; D98-R102 PolarHBondContact O-N 3.24Å
99E98.5Very high98.3Very high62 Ų6283.9 Ų83.929%0.2942%0.417SS..Hα-helixtrans-62.9-39.4169.8176.156.3-165.700112.2V56 P95 K101 R102 L103V56-E99 HydrophobicContact CG1-CB 4.33Å; V56-E99 HydrophobicContact CG1-CG 3.74Å; V56-E99 HydrophobicContact CG2-CG 4.41Å; P95-E99 WeakPolarHBondContact O-CB 3.31Å; P95-E99 PolarHBondContact O-N 3.36Å; E99-K101 PolarHBondContact O-N 3.28Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.51Å; E99-R102 IonicContact OE1-NH2 3.58Å; E99-R102 PolarHBondContact OE1-NH2 3.11Å; E99-R102 IonicContact OE2-CZ 3.55Å; E99-R102 IonicContact OE2-NE 3.55Å; E99-R102 PolarHBondContact OE2-NE 2.72Å; E99-R102 IonicContact OE2-NH2 2.71Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; E99-L103 HydrophobicContact CG-CD1 4.24Å; E99-L103 WeakPolarHBondContact O-CB 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.47Å; E99-L103 WeakPolarHBondContact OE1-CG 3.47Å
100A98.5Very high98.2Very high12 Ų1284.5 Ų84.510%0.09942%0.417CS..Hα-helixtrans-67.2-34.5174.700000112.9A53 V56 F96 I97 D98 R104A53-A100 HydrophobicContact CB-CB 4.17Å; A53-A100 VanDerWaalsContact N-CB 3.3Å; V56-A100 HydrophobicContact CG2-CB 4.3Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 2.68Å; I97-A100 PolarHBondContact O-N 2.92Å; D98-A100 PolarHBondContact O-N 3.12Å; A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.31Å
101K98.7Very high98.2Very high123 Ų12383.7 Ų83.754%0.53541%0.406SS..Hα-helixtrans-63.1-46.4169.7-68.5169.9-168.1159.90110.5I97 D98 E99 R104 A105I97-K101 WeakPolarHBondContact O-CG 3.48Å; I97-K101 PolarHBondContact O-N 3.21Å; D98-K101 WeakPolarHBondContact O-CB 3.44Å; D98-K101 PolarHBondContact O-N 3.47Å; D98-K101 WeakPolarHBondContact OD1-CE 3.4Å; D98-K101 IonicContact OD1-NZ 3.43Å; D98-K101 PolarHBondContact OD1-NZ 3.32Å; E99-K101 PolarHBondContact O-N 3.28Å; K101-R104 PolarHBondContact O-N 3.26Å; K101-A105 PolarHBondContact O-N 3.04Å
102R98.7Very high98.1Very high125 Ų12584.7 Ų84.747%0.47241%0.406SS..Hα-helixtrans-58.9-49.4177.9-167.6-164.668.5802.4111.4D98 E99 R104 A105 V106D98-R102 PolarHBondContact O-N 3.24Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.51Å; E99-R102 IonicContact OE1-NH2 3.58Å; E99-R102 PolarHBondContact OE1-NH2 3.11Å; E99-R102 IonicContact OE2-CZ 3.55Å; E99-R102 IonicContact OE2-NE 3.55Å; E99-R102 PolarHBondContact OE2-NE 2.72Å; E99-R102 IonicContact OE2-NH2 2.71Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; R102-R104 VanDerWaalsContact C-N 3.3Å; R102-R104 PolarHBondContact O-N 3.43Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-A105 VanDerWaalsContact O-N 3.17Å; R102-V106 WeakPolarHBondContact O-CG2 3.22Å; R102-V106 PolarHBondContact O-N 2.96Å
103L98.5Very high97.9Very high39 Ų3987.6 Ų87.620%0.20443%0.425CS..Hα-helixtrans-60.1-38.1175.9-71.7172000112.3M51 V56 E99 H107M51-L103 HydrophobicContact CB-CD1 4.3Å; M51-L103 HydrophobicContact CE-CD1 3.9Å; V56-L103 HydrophobicContact CG2-CD1 3.72Å; E99-L103 HydrophobicContact CG-CD1 4.24Å; E99-L103 WeakPolarHBondContact O-CB 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.47Å; E99-L103 WeakPolarHBondContact OE1-CG 3.47Å; L103-H107 WeakPolarHBondContact O-CB 3.42Å; L103-H107 PolarHBondContact O-N 2.9Å
104R98.1Very high97.8Very high166 Ų16688.9 Ų88.963%0.62643%0.429SS*.Hα-helixtrans-66.8-41.8174.4-177.2179.7177.7-176.9-1.8112.1A100 K101 R102 H107 M108A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.31Å; K101-R104 PolarHBondContact O-N 3.26Å; R102-R104 VanDerWaalsContact C-N 3.3Å; R102-R104 PolarHBondContact O-N 3.43Å; R104-H107 PolarHBondContact O-N 2.91Å; R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 WeakPolarHBondContact O-CG 3.2Å; R104-M108 PolarHBondContact O-N 3.38Å
105A98.3Very high97.6Very high62 Ų6288.6 Ų88.651%0.51243%0.432SS..Hα-helixtrans-65.6-46.8178.700000111.8K101 R102 H107 M108 K109K101-A105 PolarHBondContact O-N 3.04Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-A105 VanDerWaalsContact O-N 3.17Å; A105-H107 VanDerWaalsContact C-N 3.33Å; A105-H107 PolarHBondContact O-N 3.5Å; A105-M108 PolarHBondContact O-N 2.89Å; A105-K109 PolarHBondContact O-N 3.24Å
106V98.3Very high97.5Very high56 Ų5691.3 Ų91.334%0.33943%0.434SS..Hα-helixtrans-55.9-49172170.80000110.3R102 M108 K109 D110R102-V106 WeakPolarHBondContact O-CG2 3.22Å; R102-V106 PolarHBondContact O-N 2.96Å; V106-M108 VanDerWaalsContact C-N 3.32Å; V106-M108 PolarHBondContact O-N 2.93Å; V106-K109 WeakPolarHBondContact O-CB 3.39Å; V106-K109 PolarHBondContact O-N 3.25Å; V106-K109 VanDerWaalsContact O-N 3.08Å; V106-D110 WeakPolarHBondContact CG1-OD2 3.2Å; V106-D110 WeakPolarHBondContact O-CB 3.37Å; V106-D110 PolarHBondContact O-N 3.42Å
107H98.4Very high97.3Very high19 Ų1995.9 Ų95.99%0.08845%0.454CS..Hα-helixtrans-61.1-36.2178.8-169.382.6000114.1V47 K48 P50 L103 R104 A105 Y111 Y114V47-H107 WeakPolarHBondContact CG1-CE1 3.16Å; K48-H107 PolarHBondContact O-CE1 2.89Å; P50-H107 HydrophobicContact CB-CB 3.98Å; P50-H107 HydrophobicContact CG-CB 4.12Å; L103-H107 WeakPolarHBondContact O-CB 3.42Å; L103-H107 PolarHBondContact O-N 2.9Å; R104-H107 PolarHBondContact O-N 2.91Å; A105-H107 VanDerWaalsContact C-N 3.33Å; A105-H107 PolarHBondContact O-N 3.5Å; H107-Y111 AromaticContact CE1-CD2 3.55Å; H107-Y111 AromaticContact CE1-CE2 3.96Å; H107-Y111 AromaticContact ND1-CD2 3.5Å; H107-Y111 AromaticContact ND1-CE2 3.79Å; H107-Y111 WeakPolarHBondContact O-CB 3.38Å; H107-Y111 PolarHBondContact O-N 3.17Å; H107-Y114 AromaticContact CD2-CD1 3.91Å; H107-Y114 AromaticContact NE2-CD1 3.46Å; H107-Y114 WeakPolarHBondContact NE2-CD1 3.48Å; H107-Y114 AromaticContact NE2-CD2 3.62Å; H107-Y114 AromaticContact NE2-CE1 3.64Å; H107-Y114 AromaticContact NE2-CE2 3.79Å; H107-Y114 AromaticContact NE2-CG 3.43Å; H107-Y114 AromaticContact NE2-CZ 3.78Å
108M97.8Very high97Very high88 Ų8897 Ų9743%0.43347%0.465SS..Hα-helixtrans-72.7-29.2176.3-65.6-113.257.600112.4R104 A105 V106 P112R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 WeakPolarHBondContact O-CG 3.2Å; R104-M108 PolarHBondContact O-N 3.38Å; A105-M108 PolarHBondContact O-N 2.89Å; V106-M108 VanDerWaalsContact C-N 3.32Å; V106-M108 PolarHBondContact O-N 2.93Å; M108-P112 WeakPolarHBondContact O-CA 3.49Å
109K97.9Very high96.6Very high172 Ų172104.3 Ų104.375%0.74849%0.487SS*.Hα-helixtrans-73.7-47.8173.7179.1-171.3172.1-1720111.6A105 V106 Y111A105-K109 PolarHBondContact O-N 3.24Å; V106-K109 WeakPolarHBondContact O-CB 3.39Å; V106-K109 PolarHBondContact O-N 3.25Å; V106-K109 VanDerWaalsContact O-N 3.08Å; K109-Y111 VanDerWaalsContact C-N 3.33Å
110D97Very high96.2Very high89 Ų89112.8 Ų112.848%0.47652%0.517SS..Hα-helixtrans-74.7-26.7-175.2-59.1-13.3000111.9V106V106-D110 WeakPolarHBondContact CG1-OD2 3.2Å; V106-D110 WeakPolarHBondContact O-CB 3.37Å; V106-D110 PolarHBondContact O-N 3.42Å
111Y96.5Very high95.7Very high105 Ų105120.9 Ų120.941%0.41255%0.55SS..  trans-132.173.7179.4-50.9-76000111V47 H107 K109 D113 Y114V47-Y111 HydrophobicContact CB-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CD1 3.93Å; V47-Y111 HydrophobicContact CG1-CD2 3.78Å; V47-Y111 HydrophobicContact CG1-CE1 4.12Å; V47-Y111 HydrophobicContact CG1-CE2 3.97Å; V47-Y111 HydrophobicContact CG1-CG 3.74Å; V47-Y111 HydrophobicContact CG2-CD1 3.69Å; V47-Y111 HydrophobicContact CG2-CE1 3.69Å; V47-Y111 HydrophobicContact CG2-CG 4.34Å; H107-Y111 AromaticContact CE1-CD2 3.55Å; H107-Y111 AromaticContact CE1-CE2 3.96Å; H107-Y111 AromaticContact ND1-CD2 3.5Å; H107-Y111 AromaticContact ND1-CE2 3.79Å; H107-Y111 WeakPolarHBondContact O-CB 3.38Å; H107-Y111 PolarHBondContact O-N 3.17Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.2Å; Y111-Y114 WeakPolarHBondContact O-CB 3.45Å; Y111-Y114 PolarHBondContact O-N 2.86Å
112P95.8Very high94.9Very high95 Ų95120.5 Ų120.562%0.61756%0.563SS**THydrogen-bonded Turntrans-61-36.7-176.923.8-33.7000112.9M108 Y114M108-P112 WeakPolarHBondContact O-CA 3.49Å; P112-Y114 PolarHBondContact O-N 3.3Å
113D94.8Very high94.1Very high157 Ų157124 Ų12484%0.8458%0.581SS**THydrogen-bonded Turntrans-80.27.6177-62.6-57.4000114.1Y111 K115Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.2Å; D113-K115 PolarHBondContact O-N 3.08Å
114Y96.5Very high92.9Very high57 Ų57127.7 Ų127.722%0.22461%0.607CS.*  trans-65.5110.7-176.9-176.6-100.6000112.5V47 R49 H107 Y111 P112V47-Y114 HydrophobicContact CB-CD2 3.95Å; V47-Y114 HydrophobicContact CB-CE2 3.99Å; V47-Y114 HydrophobicContact CG1-CD2 3.48Å; V47-Y114 VanDerWaalsContact CG1-CD2 3.48Å; V47-Y114 HydrophobicContact CG1-CE2 3.65Å; V47-Y114 HydrophobicContact CG1-CG 4.47Å; V47-Y114 WeakPolarHBondContact O-CE2 3.13Å; R49-Y114 WeakPolarHBondContact CG-OH 3.25Å; H107-Y114 AromaticContact CD2-CD1 3.91Å; H107-Y114 AromaticContact NE2-CD1 3.46Å; H107-Y114 WeakPolarHBondContact NE2-CD1 3.48Å; H107-Y114 AromaticContact NE2-CD2 3.62Å; H107-Y114 AromaticContact NE2-CE1 3.64Å; H107-Y114 AromaticContact NE2-CE2 3.79Å; H107-Y114 AromaticContact NE2-CG 3.43Å; H107-Y114 AromaticContact NE2-CZ 3.78Å; Y111-Y114 WeakPolarHBondContact O-CB 3.45Å; Y111-Y114 PolarHBondContact O-N 2.86Å; P112-Y114 PolarHBondContact O-N 3.3Å
115K94.9Very high91.5Very high162 Ų162127.9 Ų127.970%0.70462%0.62SS**  trans-119.7119.5175.6-167.6163.1-174.3167.50111.9D113 K117D113-K115 PolarHBondContact O-N 3.08Å; K115-K117 PolarHBondContact O-N 2.97Å; K115-K117 VanDerWaalsContact O-N 3.11Å
116Y95.7Very high90.1Very high133 Ų133132.9 Ų132.952%0.52264%0.637SS.*  trans-66.6111.1173.9-179.6-126000110.8R49 P118R49-Y116 HydrophobicContact CG-CD2 4.41Å; Y116-P118 HydrophobicContact CD1-CG 4.12Å; Y116-P118 HydrophobicContact CE1-CG 3.63Å
117K93.1Very high87.9Confident158 Ų158138.8 Ų138.869%0.68766%0.658SS**  trans-113.997176.3-66.2174.7-176.8174.70109.3K115 R119K115-K117 PolarHBondContact O-N 2.97Å; K115-K117 VanDerWaalsContact O-N 3.11Å; K117-R119 PolarHBondContact O-N 3.4Å
118P92.8Very high85.6Confident86 Ų86147.4 Ų147.456%0.55870%0.696SS**  trans-61.5129.9174.4-18.228.6000111Y116 R120Y116-P118 HydrophobicContact CD1-CG 4.12Å; Y116-P118 HydrophobicContact CE1-CG 3.63Å; P118-R120 PolarHBondContact O-N 3.02Å
119R91.3Very high83.3Confident225 Ų225149 Ų14985%0.84971%0.706SS**  trans-85108.2174.4-172169.6-175.5-123.2-1.5109.8K117 K121K117-R119 PolarHBondContact O-N 3.4Å; R119-K121 PolarHBondContact O-N 2.98Å
120R89.9Confident81.1Confident240 Ų240147.6 Ų147.691%0.90671%0.707SS**PPolyproline II helixtrans-66.4127.8167-62.1-18076178.93.4108.3P118P118-R120 PolarHBondContact O-N 3.02Å
121K86.8Confident79Confident182 Ų182152.5 Ų152.579%0.79173%0.726SS**PPolyproline II helixtrans-89.3133.5164-65.1-176.7178.9-176.30107.3R119 K123R119-K121 PolarHBondContact O-N 2.98Å; K121-K123 PolarHBondContact O-N 3.13Å
122S83Confident76.6Confident115 Ų115155.1 Ų155.180%0.80475%0.745SS**PPolyproline II helixtrans-62.7133.7165.138.80000108.4
123K81.1Confident74.5Confident197 Ų197153.7 Ų153.786%0.85775%0.747SS**PPolyproline II helixtrans-71.8124163.6-67.2-176.6179-178.30106K121 L125K121-K123 PolarHBondContact O-N 3.13Å; K123-L125 PolarHBondContact O-N 2.94Å; K123-L125 VanDerWaalsContact O-N 3.09Å
124P72.9Confident72.3Confident117 Ų117154.7 Ų154.776%0.7674%0.744SS**PPolyproline II helixtrans-61.7117.1169.625.6-31.2000107.4L126P124-L126 PolarHBondContact O-N 3.03Å
125L70.1Confident69.6Low170 Ų170162.4 Ų162.489%0.8977%0.774SS**PPolyproline II helixtrans-61.8117.8165.2-77.5162.7000106.1K123 K127K123-L125 PolarHBondContact O-N 2.94Å; K123-L125 VanDerWaalsContact O-N 3.09Å; L125-K127 PolarHBondContact O-N 2.91Å
126L67.5Low67.5Low167 Ų167160.5 Ų160.587%0.87478%0.778SS**  trans-57.1111.7171.9-70.5169.1000106.8P124 K128P124-L126 PolarHBondContact O-N 3.03Å; L126-K128 PolarHBondContact O-N 3.26Å
127K52.4Low65.1Low181 Ų181162.2 Ų162.279%0.78780%0.796SS**  trans-63.9105.4174.4-163.8177-175.5-1750105.4L125 D129L125-K127 PolarHBondContact O-N 2.91Å; K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å
128K50.6Low62.5Low200 Ų200160.5 Ų160.587%0.8780%0.803SS**  trans-68.194.2175.7-177.8170.1-179173.30106.4L126 N130L126-K128 PolarHBondContact O-N 3.26Å; K128-N130 PolarHBondContact O-N 3.23Å
129D49.5Very low60Low122 Ų122161 Ų16165%0.65282%0.815SS**  trans-57.5127.4177.6-82.1-47.7000109.1K127 Q131K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å; D129-Q131 PolarHBondContact O-N 3.02Å
130N51.7Low57.4Low142 Ų142153.2 Ų153.276%0.75981%0.805SS**  trans-77.969.6-174.4-171.330.3000109.9K128 M132K128-N130 PolarHBondContact O-N 3.23Å; N130-M132 PolarHBondContact O-N 2.96Å
131Q52.4Low54.9Low191 Ų191150 Ų15089%0.89381%0.805SS**  trans-81.461.6167.6-67.9-16389.100110.3D129D129-Q131 PolarHBondContact O-N 3.02Å
132M45.8Very low52.7Low161 Ų161149.5 Ų149.579%0.79381%0.811SS**  trans-119.894.9161.5-177.96680.600106.8N130N130-M132 PolarHBondContact O-N 2.96Å
133G52.4Low50.6Low65 Ų65152 Ų15267%0.6781%0.814SS**  trans-174.840.4-167.400000114.8
134K47.2Very low48.6Very low178 Ų178147.3 Ų147.377%0.77481%0.812SS**SBendtrans-172.3140.8156.8-100.2144.7-167.2-175.70111.4
135Y39.7Very low47Very low218 Ų218146.7 Ų146.786%0.85582%0.817SS**  trans84.9130.7175.1-49.4-64.3000117.8
136P51Low45.4Very low122 Ų122143 Ų14379%0.79281%0.81SS**  trans-92.8170.5-165.438.3-38.3000114.3
137L46.7Very low43.8Very low169 Ų169144.6 Ų144.689%0.88581%0.814SS**  trans-61.3135.9172.2-62.6105.1000111.9
138S38.3Very low43Very low122 Ų122139.9 Ų139.985%0.85382%0.816SS**  trans-109.6108.7149.9-176.80000107.8
139A40.2Very low42.3Very low97 Ų97140.1 Ų140.180%0.80282%0.82SS**  trans-112.8115.4170.900000107.6
140G37Very low41.6Very low62 Ų62137.7 Ų137.764%0.63982%0.824SS**  trans147.592.5177.300000113.9
141N37.3Very low40.8Very low171 Ų171135 Ų13591%0.91483%0.831SS**  -161.7142.4105.2-1036.6000111.5
142L40.8Very low40.2Very low172 Ų172131.5 Ų131.590%0.90183%0.827SS**  trans-92.3167.3179.6-71162.9000111
143L37.1Very low40.4Very low169 Ų169130 Ų13089%0.88583%0.829SS**  trans78.892.9152.4-163.369.8000118.5
144A39.6Very low39.9Very low97 Ų97136.2 Ų136.280%0.80283%0.832SS**  trans-152.3112.6145.400000111.9
145A39.3Very low39.7Very low105 Ų105136.8 Ų136.887%0.86884%0.84SS**  trans53.5144.5155.800000121.6
146A37.9Very low39.7Very low91 Ų91131.5 Ų131.575%0.75282%0.823SS**  trans-94.6-179.9-176.400000113.8
147Q33.8Very low39.1Very low202 Ų202130.9 Ų130.994%0.94482%0.821SS**  trans95.1124167-55.7177.2-27.200116.9
148G35.6Very low39Very low81 Ų81133.2 Ų133.284%0.83582%0.82SS**  trans142.8107.7168.800000114
149Q34.5Very low39Very low205 Ų205130.7 Ų130.796%0.95881%0.813SS**  trans-76.1149.4168.4-61.4174.34.200110.4
150G36.1Very low38.9Very low71 Ų71138.9 Ų138.973%0.73282%0.823SS**  trans154.579.8168.100000115.3S152G150-S152 PolarHBondContact O-N 3.01Å
151G34Very low39Very low87 Ų87139.1 Ų139.190%0.89783%0.826SS**PPolyproline II helixtrans-70.5119.217400000112.1
152S40.1Very low39.7Very low116 Ų116137.5 Ų137.581%0.81183%0.825SS**PPolyproline II helixtrans-91.5130.8170.7-67.90000110.7G150 R154G150-S152 PolarHBondContact O-N 3.01Å; S152-R154 PolarHBondContact O-N 3.03Å
153P49.8Very low39.5Very low129 Ų129134.2 Ų134.284%0.83882%0.823SS**PPolyproline II helixtrans-72.9120.6179.328.5-32.9000111.4
154R42.6Very low39.4Very low197 Ų197130.2 Ų130.274%0.74382%0.822SS**PPolyproline II helixtrans-62130.2170.4170.2-178160.2127.6-2.1110.5S152 E156S152-R154 PolarHBondContact O-N 3.03Å; R154-E156 VanDerWaalsContact CD-OE2 3.29Å; R154-E156 WeakPolarHBondContact CD-OE2 3.46Å; R154-E156 WeakPolarHBondContact CG-OE2 3.44Å; R154-E156 IonicContact CZ-OE1 3.32Å; R154-E156 IonicContact CZ-OE2 4Å; R154-E156 VanDerWaalsContact NE-CD 3.32Å; R154-E156 IonicContact NE-OE1 2.89Å; R154-E156 PolarHBondContact NE-OE1 2.83Å; R154-E156 IonicContact NE-OE2 2.94Å; R154-E156 PolarHBondContact NE-OE2 3.27Å; R154-E156 IonicContact NH2-OE1 2.84Å; R154-E156 PolarHBondContact NH2-OE1 3.46Å; R154-E156 PolarHBondContact O-N 3.33Å; R154-E156 VanDerWaalsContact O-N 3.09Å
155M42.4Very low39.1Very low189 Ų189129.1 Ų129.193%0.93182%0.82SS**  trans-73.496.6177.3-171.7-179.5-165.300110.1S157M155-S157 PolarHBondContact O-N 3.05Å
156E39.8Very low39.1Very low108 Ų108135.8 Ų135.851%0.50583%0.825SS.*  trans-76.3124.6-174.3-140.363.7-123.800112.2R154 Y158R154-E156 VanDerWaalsContact CD-OE2 3.29Å; R154-E156 WeakPolarHBondContact CD-OE2 3.46Å; R154-E156 WeakPolarHBondContact CG-OE2 3.44Å; R154-E156 IonicContact CZ-OE1 3.32Å; R154-E156 IonicContact CZ-OE2 4Å; R154-E156 VanDerWaalsContact NE-CD 3.32Å; R154-E156 IonicContact NE-OE1 2.89Å; R154-E156 PolarHBondContact NE-OE1 2.83Å; R154-E156 IonicContact NE-OE2 2.94Å; R154-E156 PolarHBondContact NE-OE2 3.27Å; R154-E156 IonicContact NH2-OE1 2.84Å; R154-E156 PolarHBondContact NH2-OE1 3.46Å; R154-E156 PolarHBondContact O-N 3.33Å; R154-E156 VanDerWaalsContact O-N 3.09Å; E156-Y158 PolarHBondContact O-N 3.11Å
157S39.2Very low39.2Very low108 Ų108135.9 Ų135.976%0.75583%0.826SS**  trans-74.4102-177.7158.50000111.1M155 G159M155-S157 PolarHBondContact O-N 3.05Å; S157-G159 PolarHBondContact O-N 3.45Å
158Y43.6Very low39.6Very low219 Ų219130.1 Ų130.186%0.85982%0.82SS**  trans-67.296.5173.5-74.5-76.4000112.4E156E156-Y158 PolarHBondContact O-N 3.11Å
159G37.4Very low40.1Very low68 Ų68135.2 Ų135.270%0.70183%0.825SS**  trans-72143.2172.800000112.6S157S157-G159 PolarHBondContact O-N 3.45Å
160W39.4Very low40.3Very low269 Ų269134.2 Ų134.2100%1.01982%0.82SS**  trans-89.4114.8172.5-82.974.2000110.8
161G39.2Very low40.4Very low68 Ų68136 Ų13670%0.70182%0.822SS**  trans-152.9152.2173.500000111.1
162P50.8Low40.2Very low136 Ų136140.5 Ų140.588%0.88382%0.819SS**  trans-113.3134.9-14737-27.2000115.9
163A37.9Very low40.2Very low104 Ų104139.6 Ų139.686%0.8682%0.818SS**  trans-149.2154.2159.900000110.9
164G35.4Very low39.8Very low85 Ų85141.3 Ų141.388%0.87682%0.82SS**  trans-53135.3-162.800000117.6
165G32.1Very low39.3Very low74 Ų74135.1 Ų135.176%0.76382%0.817SS**  trans-104.2116.116800000111.7
166Y39.4Very low38.8Very low244 Ų244137.4 Ų137.496%0.95782%0.817SS**  trans-13098.9154.7-112.8-86.1000107.3
167A41.2Very low38.7Very low93 Ų93138.7 Ų138.777%0.76983%0.832SS**  trans-136.6107.5169.100000106.6M169A167-M169 PolarHBondContact O-N 3.39Å
168G42.1Very low38.5Very low81 Ų81143.1 Ų143.184%0.83584%0.841SS**PPolyproline II helixtrans-70117.5176.400000109.2Q170G168-Q170 PolarHBondContact O-N 3.24Å
169M44.9Very low38.2Very low188 Ų188140.1 Ų140.193%0.92684%0.835SS**PPolyproline II helixtrans-72.8121.3173.6-66-159.67800109.6A167A167-M169 PolarHBondContact O-N 3.39Å
170Q38.8Very low38.2Very low185 Ų185143.1 Ų143.186%0.86483%0.834SS**PPolyproline II helixtrans-59.7129.9175.1-169.4168.325.300109.9G168G168-Q170 PolarHBondContact O-N 3.24Å
171S38.4Very low38.2Very low109 Ų109137.5 Ų137.576%0.76282%0.819SS**PPolyproline II helixtrans-77.8121.9175.353.20000110.4A173S171-A173 PolarHBondContact O-N 3.49Å
172E30.7Very low38.1Very low181 Ų181146.2 Ų146.285%0.84683%0.831SS**PPolyproline II helixtrans-74.4123.7172.7-62.4-169.6-159.100110.8
173A38.4Very low37.5Very low96 Ų96149.7 Ų149.779%0.79383%0.828SS**  trans-130.296.3170.500000108S171S171-A173 PolarHBondContact O-N 3.49Å
174L41.2Very low37.6Very low166 Ų166150.2 Ų150.287%0.86982%0.816SS**  trans-75.4138.7176.3-73.4171000110.7
175G32.2Very low38.2Very low66 Ų66154.5 Ų154.568%0.6882%0.818SS**  trans-54.5147.9-164.300000117.8
176Y31.9Very low39Very low237 Ų237155.9 Ų155.993%0.92982%0.816SS**  trans-128.4139139.5-106-88.7000108.6
177T38.3Very low39.1Very low135 Ų135148.3 Ų148.383%0.82880%0.803SS**  trans-99.2128.4177.855.30000109.5
178Q34.7Very low39.2Very low202 Ų202152.4 Ų152.494%0.94481%0.812SS**  trans-153.7143.5154.9-152.1164.969.200112.1
179Q38Very low39.1Very low155 Ų155156.2 Ų156.272%0.72481%0.808SS**  trans-90.7148.2-174.7-77.9-9313.100111.9
180L38Very low38.5Very low131 Ų131157.4 Ų157.469%0.68680%0.803SS**  trans59.7146.9152.5-59162000116.5
181H38Very low39Very low151 Ų151154 Ų15470%0.69980%0.797SS**  cis-136.9142.824.1-66.1-100.7000111.5
182R37.7Very low38.8Very low251 Ų251158.1 Ų158.195%0.94780%0.804SS**  trans-90.8103.1172.4-167.1-177.6-163.8171.14.1108.1
183Y38.6Very low39.2Very low210 Ų210153.8 Ų153.882%0.82480%0.8SS**  trans-71.4142.4177.4-91.3-83.1000112
184D39.7Very low39.2Very low114 Ų114157.4 Ų157.461%0.6180%0.802SS**  trans-69.6139.6-179.1-179.713.6000111.8S186D184-S186 WeakPolarHBondContact OD1-CB 3.12Å; D184-S186 PolarHBondContact OD1-N 3.09Å; D184-S186 PolarHBondContact OD1-OG 3.18Å
185L48.9Very low39.3Very low176 Ų176156.4 Ų156.492%0.92180%0.803SS**  trans-130.621176.7-97.2165.6000111.5
186S48.1Very low39.4Very low103 Ų103157.6 Ų157.672%0.7281%0.807SS**  trans-107.150.8-172.165.10000114.3D184D184-S186 WeakPolarHBondContact OD1-CB 3.12Å; D184-S186 PolarHBondContact OD1-N 3.09Å; D184-S186 PolarHBondContact OD1-OG 3.18Å
187A40.5Very low39.5Very low84 Ų84150.5 Ų150.569%0.69480%0.797SS**  trans-142.945.5-176.700000116.1
188L43.6Very low39.7Very low180 Ų180152 Ų15294%0.94280%0.795SS**  trans-14595.1154.3-82.2-170.9000111.9
189Q40.1Very low39.9Very low161 Ų161148.1 Ų148.175%0.75279%0.785SS**  trans-80.6134.3168.7171.28415.200109.9
190Y33.2Very low40.1Very low213 Ų213149.8 Ų149.884%0.83579%0.786SS**  trans170.6159.5142.1-97.1-56.6000112.1
191P48.9Very low40.3Very low113 Ų113150.9 Ų150.973%0.73479%0.79SS**  -111.1170.4-100.541.4-36.1000116.2
192Q35Very low40.3Very low195 Ų195151.3 Ų151.391%0.91180%0.797SS**  trans-91.4132.3-173.1-176177.1-25.600112.2
193A38.3Very low40.1Very low91 Ų91142.9 Ų142.975%0.75279%0.788SS**  trans-131.2114.6171.400000110.9
194M39Very low40.1Very low172 Ų172137.5 Ų137.585%0.84779%0.787SS**  trans31.1123.9156.8-43.9-51.2174.400119.6
195T42.5Very low40Very low144 Ų144139.2 Ų139.288%0.88380%0.796SS**  -172.5140.796.3-62.50000109.2
196A34.6Very low39.3Very low91 Ų91136.5 Ų136.575%0.75279%0.787SS**  trans-93.6151177.300000111.7
197A34.9Very low38.6Very low89 Ų89141.5 Ų141.574%0.73679%0.792SS**  -179.6150.1125.900000113.2
198Q40.5Very low38.6Very low166 Ų166142.7 Ų142.778%0.77680%0.795SS**  trans8073.2156.6-44.2-136.814.500118.7
199T40.8Very low39.5Very low121 Ų121139.1 Ų139.174%0.74278%0.782SS**  14.1125.3106.1-50.10000117
200Y41Very low39.4Very low189 Ų189140 Ų14074%0.74179%0.789SS**  -171.2125.8126.5-103.6-70.7000111.4
201M42.3Very low39.4Very low155 Ų155135 Ų13576%0.76479%0.785SS**  trans56.6105.4167.2-52.9-56167.700117.3
202N38.6Very low38.5Very low159 Ų159139.3 Ų139.385%0.8579%0.788SS**  6610850-156.2-12.7000114.1
203G32.7Very low38.4Very low74 Ų74135.8 Ų135.876%0.76379%0.785SS**  trans-171.5122.4173.500000108.5
204A38.7Very low38.1Very low97 Ų97134.6 Ų134.680%0.80277%0.771SS**  trans-92.2163.5-153.500000116.8
205N38.5Very low37.7Very low150 Ų150132 Ų13280%0.80277%0.77SS**  trans-55.4170162.9-68.3-16.4000111.6
206T33.6Very low37.3Very low119 Ų119132.9 Ų132.973%0.7376%0.764SS**  cis-173154.142.5-30.10000111.5
207Y33.9Very low37.3Very low209 Ų209137 Ų13782%0.8277%0.767SS**  trans19.8146.8149.8-85.8-110.6000122
208S40.1Very low37.4Very low109 Ų109140.6 Ų140.676%0.76277%0.769SS**  cis-162.4167.345-100.70000114.1
209P63.1Low37.7Very low104 Ų104136.9 Ų136.968%0.67576%0.759SS**  trans-106.3154.4179.239.5-32.7000115.9
210M38.1Very low37.2Very low181 Ų181138.4 Ų138.489%0.89276%0.763SS**  trans-175.9150167.6-12536.416700108.8
211S33.1Very low37.7Very low107 Ų107135 Ų13575%0.74876%0.763SS**  cis-162.6177.7-16.846.70000111.9
212Y29.8Very low37.6Very low204 Ų204133.2 Ų133.280%0.876%0.761SS**  trans-60.2148.9-176.2-161.1-103.6000118.2
213S31.7Very low37.5Very low121 Ų121133.9 Ų133.985%0.84676%0.761SS**  trans-156.7154.3141.2-164.70000111.7
214S32.3Very low37.9Very low65 Ų65135.2 Ų135.246%0.45576%0.759SS.*  trans-137.9146.5-166.1172.20000111.9
215S31.2Very low38.2Very low118 Ų118139.5 Ų139.583%0.82577%0.765SS**  trans-163.9160.7156.547.10000112.7
216H33.7Very low38.5Very low163 Ų163138.6 Ų138.676%0.75576%0.764SS**  trans-117.4179.9-158.8-75.1-66000114.9
217Q35.5Very low38.4Very low177 Ų177142.6 Ų142.683%0.82777%0.772SS**  trans83.9148.7153.2-75.1158.244.100119.1
218Q36.7Very low39.3Very low165 Ų165137.7 Ų137.777%0.77177%0.765SS**  cis-167.4-176-27.6-107.6-46.214.700106.9
219P45.5Very low38.8Very low88 Ų88140.8 Ų140.857%0.57177%0.768SS**  trans-128172.5-145.243.7-27000118.4
220N31.3Very low37.7Very low153 Ų153140.6 Ų140.682%0.81877%0.766SS**  trans66.8171.8154.5-62.2-20.5000117.8
221P50.4Low37.6Very low116 Ų116138 Ų13875%0.75376%0.76SS**  cis-132.3-1741.143.8-26.9000116.8
222V41.7Very low37.6Very low118 Ų118136.8 Ų136.872%0.71575%0.752SS**  trans-46.4160.4176.2-56.30000118.2
223M36.4Very low38Very low174 Ų174135.5 Ų135.586%0.85775%0.753SS**  -151.8144125.3-86.1-46.9153.200112.4
224S40.4Very low38.4Very low102 Ų102135.2 Ų135.271%0.71375%0.751SS**  trans-97.3136.6173.2171.70000110.3
225M44.9Very low39.4Very low187 Ų187137.6 Ų137.692%0.92176%0.764SS**  trans-144.5108.9156-71.3-159.6-157.500111.8
226V44.2Very low39.9Very low131 Ų131138.8 Ų138.879%0.79477%0.767SS**  trans-75.6136.3158.9158.90000109.1
227K32.8Very low39.9Very low203 Ų203134.9 Ų134.988%0.88377%0.77SS**  trans-151.1137.9144-149.1157.1-175.8173.50112.1
228P52.1Low40.1Very low105 Ų105129.9 Ų129.968%0.68277%0.767SS**  trans-99.9170.9-17740.1-35.8000112.6
229E29.4Very low40.6Very low175 Ų175128.1 Ų128.182%0.81877%0.769SS**  trans161.6165.3154.2-90-89.910900108.6
230P41.5Very low40.2Very low99 Ų99130.4 Ų130.464%0.64378%0.777SS**  -126.8177.7-58.634.3-17.6000112.8
231V34.4Very low40.7Very low127 Ų127132 Ų13277%0.7778%0.779SS**  trans-67.7154.2165.5-77.20000112
232S34.5Very low40.3Very low81 Ų81134.9 Ų134.957%0.56678%0.782SS**  151.5110.8118.2-79.20000117.5
233H37.3Very low40.2Very low178 Ų178141 Ų14182%0.82479%0.793SS**  trans72.5137.7135.7-44.9-38.9000122.8
234S41.1Very low40Very low115 Ų115135.6 Ų135.680%0.80478%0.781SS**  trans-122.9155158.5-46.30000109
235P51.5Low40.5Very low114 Ų114136.8 Ų136.874%0.7479%0.786SS**  trans-130.8130.3139.514.96000111.2
236T42.5Very low40.7Very low144 Ų144136.5 Ų136.588%0.88379%0.788SS**  83.7121.578.3-54.80000113.3
237G34.6Very low40.9Very low80 Ų80138.2 Ų138.283%0.82579%0.787SS**  trans152.8100.7167.200000113.8
238G38.1Very low41.9Very low73 Ų73131.8 Ų131.875%0.75378%0.778SS**  trans-137129.7172.200000110.5
239P48.4Very low42.8Very low127 Ų127130.1 Ų130.183%0.82576%0.763SS**  trans-82157.9-174.532-34.4000113.7
240N35.8Very low44.9Very low137 Ų137126.9 Ų126.973%0.73375%0.751SS**  trans-84.7131-169.2-163.96.1000111.6H242N240-H242 PolarHBondContact O-CE1 2.96Å
241H42.5Very low46Very low185 Ų185131.3 Ų131.386%0.85676%0.755SS**  trans-86.5115.6178.1-79.8-66.3000111.9
242H42.7Very low47.6Very low178 Ų178130.7 Ų130.782%0.82475%0.748SS**  trans-76.9129.9172-36.9-49.3000109.9N240N240-H242 PolarHBondContact O-CE1 2.96Å
243R38.3Very low49.8Very low247 Ų247132.2 Ų132.293%0.93275%0.747SS**  trans-128.3131.2171.9-170.1173.3-177.7164.80.9109.9
244G34Very low51.3Low60 Ų60128 Ų12862%0.61973%0.729SS**  trans-71.7-174.5-17500000115.8L246G244-L246 PolarHBondContact O-N 2.95Å
245P49.8Very low52.8Low126 Ų126126.3 Ų126.382%0.81872%0.718SS**  trans-86.9114.8-145.231.9-36000113.9
246L48.2Very low54Low181 Ų181128.4 Ų128.495%0.94872%0.72SS**  trans-140.881.5154.9-75.4179.5000107.4G244G244-L246 PolarHBondContact O-N 2.95Å
247Q49.3Very low55.4Low168 Ų168130.4 Ų130.479%0.78571%0.712SS**  trans-12680.6-177.9-166.1169.43.100109.1D249Q247-D249 PolarHBondContact O-N 2.84Å
248G54Low57.3Low67 Ų67132.3 Ų132.369%0.69170%0.702SS**  trans-69.8106.8145.900000105.7L250G248-L250 PolarHBondContact O-N 2.88Å
249D70.3Confident57.9Low70 Ų70135 Ų13537%0.37471%0.706SS.*  trans-60.9135.9177.8-170.40.9000108.6Q247 R251 D252 M253Q247-D249 PolarHBondContact O-N 2.84Å; D249-R251 HydrophobicContact CB-CB 4.44Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 VanDerWaalsContact O-N 3.08Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 WeakPolarHBondContact OD2-CB 3.45Å; D249-D252 PolarHBondContact O-N 3.21Å; D249-M253 PolarHBondContact O-N 3.43Å; D249-M253 VanDerWaalsContact O-N 3.15Å
250L73.5Confident57.8Low108 Ų108132.7 Ų132.757%0.56571%0.706SS**Hα-helixtrans-57.7-25.8176.3-177.461.3000110.6G248 M253 I254G248-L250 PolarHBondContact O-N 2.88Å; L250-M253 HydrophobicContact CD1-CE 4.39Å; L250-M253 HydrophobicContact CD1-SD 4.25Å; L250-M253 PolarHBondContact O-N 3.09Å; L250-I254 HydrophobicContact CD1-CD1 4.31Å; L250-I254 HydrophobicContact CD1-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 3.92Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CD1 3.29Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.22Å; L250-I254 PolarHBondContact O-N 3.24Å
251R65.5Low57.8Low192 Ų192129.7 Ų129.773%0.72571%0.708SS**Hα-helixtrans-64.6-42.3175.6-150.6164.1-174.4-100.9-2.8113.1D249 S255D249-R251 HydrophobicContact CB-CB 4.44Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 VanDerWaalsContact O-N 3.08Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 WeakPolarHBondContact OD2-CB 3.45Å; R251-S255 WeakPolarHBondContact O-CB 3.48Å; R251-S255 PolarHBondContact O-N 3.33Å; R251-S255 VanDerWaalsContact O-N 3.16Å; R251-S255 PolarHBondContact O-OG 3.33Å
252D68.6Low57.6Low114 Ų114127.9 Ų127.961%0.6170%0.704SS**Hα-helixtrans-70.6-39.8174.1-73.6-11.7000110.8D249 I254 S255 M256D249-D252 PolarHBondContact O-N 3.21Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; D252-S255 PolarHBondContact O-N 2.94Å; D252-S255 VanDerWaalsContact O-N 3.15Å; D252-M256 PolarHBondContact O-N 2.84Å
253M80.8Confident57.9Low112 Ų112125.2 Ų125.255%0.55270%0.701SS**Hα-helixtrans-61.2-36.9178.5-162.1-171.8-49.600112.5D249 L250 Y257D249-M253 PolarHBondContact O-N 3.43Å; D249-M253 VanDerWaalsContact O-N 3.15Å; L250-M253 HydrophobicContact CD1-CE 4.39Å; L250-M253 HydrophobicContact CD1-SD 4.25Å; L250-M253 PolarHBondContact O-N 3.09Å; M253-Y257 WeakPolarHBondContact O-CD2 3.38Å
254I68.1Low58Low89 Ų89120.1 Ų120.146%0.45670%0.697SS.*Hα-helixtrans-74.7-36.3175.5-69.6165.8000111.2L250 D252 M256 Y257 I258L250-I254 HydrophobicContact CD1-CD1 4.31Å; L250-I254 HydrophobicContact CD1-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 3.92Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CD1 3.29Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.22Å; L250-I254 PolarHBondContact O-N 3.24Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; I254-M256 VanDerWaalsContact C-N 3.27Å; I254-M256 PolarHBondContact O-N 3.31Å; I254-Y257 PolarHBondContact O-N 2.89Å; I254-Y257 VanDerWaalsContact O-N 3.08Å; I254-I258 HydrophobicContact CG2-CD1 4.03Å
255S71.7Confident58.1Low80 Ų80124.5 Ų124.556%0.55971%0.707SS**Hα-helixtrans-65.1-26.3-175-60.30000113.7R251 D252 Y257R251-S255 WeakPolarHBondContact O-CB 3.48Å; R251-S255 PolarHBondContact O-N 3.33Å; R251-S255 VanDerWaalsContact O-N 3.16Å; R251-S255 PolarHBondContact O-OG 3.33Å; D252-S255 PolarHBondContact O-N 2.94Å; D252-S255 VanDerWaalsContact O-N 3.15Å; S255-Y257 VanDerWaalsContact C-N 3.29Å; S255-Y257 PolarHBondContact O-N 3.36Å
256M77.9Confident58Low159 Ų159124.4 Ų124.478%0.78371%0.706SS**THydrogen-bonded Turntrans-69.3-19.3173.4-75-139.5-52.800114.9D252 I254D252-M256 PolarHBondContact O-N 2.84Å; I254-M256 VanDerWaalsContact C-N 3.27Å; I254-M256 PolarHBondContact O-N 3.31Å
257Y71.8Confident57.7Low186 Ų186121.7 Ų121.773%0.72970%0.697SS**THydrogen-bonded Turntrans-1077.7-172-70.1-84.2000114.2M253 I254 S255M253-Y257 WeakPolarHBondContact O-CD2 3.38Å; I254-Y257 PolarHBondContact O-N 2.89Å; I254-Y257 VanDerWaalsContact O-N 3.08Å; S255-Y257 VanDerWaalsContact C-N 3.29Å; S255-Y257 PolarHBondContact O-N 3.36Å
258I73.4Confident57Low119 Ų119119.4 Ų119.461%0.6170%0.699SS**SBendtrans-115.6102.5176.6-56.7-177.9000109I254 G260I254-I258 HydrophobicContact CG2-CD1 4.03Å; I258-G260 PolarHBondContact O-N 2.6Å
259P50.4Low56.6Low129 Ų129125.4 Ų125.484%0.83871%0.709SS**  trans-78.3117.8-179.7-11.828.3000112
260G46.3Very low55Low79 Ų79134 Ų13481%0.81474%0.736SS**  trans84.2114.2162.900000115.8I258I258-G260 PolarHBondContact O-N 2.6Å
261G36.9Very low53Low75 Ų75132.6 Ų132.677%0.77375%0.748SS**  trans177.746.1-17900000114.3
262D39.3Very low51.4Low146 Ų146126.1 Ų126.178%0.78174%0.741SS**  trans27.4109.5161.4-57.2-25000121.3
263T47.9Very low49.9Very low122 Ų122131.7 Ų131.775%0.74876%0.755SS**  trans45.2114.2133.463.30000120.8
264T40.2Very low47.7Very low141 Ų141131.1 Ų131.187%0.86576%0.762SS**  trans-140.796.9142.158.20000111.2
265D36.9Very low46.3Very low152 Ų152132.4 Ų132.481%0.81377%0.774SS**  trans-80130.9167.6-77.9-57.1000111.2V267D265-V267 PolarHBondContact O-N 2.82Å
266P47.6Very low44.6Very low123 Ų123136.5 Ų136.580%0.79978%0.784SS**  trans-97.358-179.438-35.3000113
267V41.1Very low42.8Very low125 Ų125135.5 Ų135.576%0.75878%0.778SS**  trans-136.596.4173-179.20000111.9D265D265-V267 PolarHBondContact O-N 2.82Å
268S35.5Very low41.2Very low119 Ų119135.9 Ų135.983%0.83279%0.786SS**  trans178.5108.8134.9-83.80000111.8
269Q45Very low39.5Very low194 Ų194139.6 Ų139.691%0.90779%0.794SS**  trans-85.4127.3151.8-66.4-177.719.100108.5
270R36.8Very low39.1Very low249 Ų249141 Ų14194%0.9479%0.794SS**  trans171.5140.6136.6-100.6172.5-179.5-103-0112.9
271G31.1Very low38.7Very low80 Ų80143.1 Ų143.183%0.82580%0.795SS**  trans81.9133.7168.900000113.9
272G33Very low39Very low56 Ų56142.6 Ų142.658%0.57779%0.79SS**  cis120.7126.9-0.400000111.9
273Y35.5Very low39.4Very low230 Ų230142 Ų14290%0.90279%0.792SS**  trans67.1154.8171.6-31.3-73.7000115.3
274S35Very low39.9Very low100 Ų100143 Ų14370%0.69980%0.797SS**  cis-172.3178.5-30.456.70000109
275V38.4Very low41Very low117 Ų117141.8 Ų141.871%0.70979%0.792SS**  trans84.3119.2151.4169.80000121
276Q36.8Very low41.2Very low165 Ų165141.7 Ų141.777%0.77179%0.791SS**  trans56.4117.4146.8-71176.5-49.700120.9
277Q39.9Very low41.5Very low139 Ų139141.1 Ų141.165%0.6579%0.785SS**  79.599.465.1-72.7-84.742.300114
278H37.3Very low41.7Very low194 Ų194143.2 Ų143.290%0.89879%0.786SS**  trans-135.1104.1150.7-87.6-88.5000109.1
279Y39.3Very low42.5Very low196 Ų196148.9 Ų148.977%0.76981%0.805SS**  trans-82143.5152.9-90.5-101.8000108.2
280L42.3Very low42.3Very low160 Ų160146.7 Ų146.784%0.83880%0.8SS**  179143.7126.9-116.869.8000110.6
281S37.6Very low42.6Very low122 Ų122141.3 Ų141.385%0.85379%0.793SS**  trans44.2126.9158.2-60.10000120.7
282G41.7Very low43.3Very low64 Ų64144.7 Ų144.766%0.6679%0.791SS**  cis174.1172.9-0.100000114.2
283T48.6Very low43.9Very low135 Ų135149.9 Ų149.983%0.82880%0.804SS**  trans53.290.5156.461.60000120.2
284V58Low44.4Very low141 Ų141144.9 Ų144.986%0.85580%0.797SS**  14.8159.5128-82.30000122.7
285P63.8Low45Very low116 Ų116147.9 Ų147.975%0.75380%0.804SS**  trans-110.8-164.5-146.445-37.9000114.9
286L41.3Very low45.5Very low150 Ų150150.1 Ų150.179%0.78581%0.811SS**  trans132.5153.7134.9-156.372.1000115.3
287T53.8Low46.2Very low112 Ų112148.9 Ų148.969%0.68781%0.814SS**  trans83.8134.416163.70000121.5
288H45.6Very low46.7Very low168 Ų168149.8 Ų149.878%0.77883%0.827SS**  trans-4.3149.8149.5-52-68.1000118.2
289I50.8Low47.5Very low239 Ų239145.7 Ų145.7100%1.22682%0.821SS**  cis-144.9045.2-34.4178.6000111.7

Retrieved 289 of 289 residues in 920 ms (Link to these results)