G4VQS1_SCHMA Loading...

Putative zyxin/trip6 AlphaSync

AlphaFold DB , UniProt , Accession G4VQS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low33.7Very low225 Ų225135.8 Ų135.8100%1.10881%0.81SS**  0140.40-67.5156.575.300107.3
2S43.1Very low33.9Very low105 Ų105134.3 Ų134.373%0.73479%0.794SS**  trans45.7101.5-18049.70000115.9
3H37.6Very low33.7Very low151 Ų151141 Ų14170%0.69980%0.8SS**  cis55.4132.443.8-45.2-75.6000113.2
4H29.9Very low33.7Very low153 Ų153147 Ų14771%0.70880%0.803SS**  cis-155.5162-10.5-117.7-49.8000112.8
5S33.2Very low33.5Very low99 Ų99147.1 Ų147.169%0.69280%0.802SS**  trans-25.8136.2165.2-37.70000118.1
6F33.9Very low33.5Very low214 Ų214146.6 Ų146.694%0.93980%0.798SS**  trans-125.8135.7146.1-95-86.7000109.6
7G28.1Very low33.4Very low65 Ų65143.9 Ų143.967%0.6779%0.792SS**  trans-125-178.4171.400000110.8
8S31.6Very low33.9Very low137 Ų137142.5 Ų142.596%0.95879%0.789SS**  trans72.9111.3-171.6-1580000114.1
9G32.8Very low33.8Very low73 Ų73139.2 Ų139.275%0.75377%0.765SS**  trans-160.5129.6177.700000110.9
10N30Very low33.7Very low151 Ų151137 Ų13781%0.80775%0.752SS**  trans-66.7136.2-174-73.6-38.2000113L12N10-L12 HydrophobicContact CB-CG 4.24Å
11S34.5Very low33.7Very low121 Ų121133.8 Ų133.885%0.84673%0.732SS**  trans-132.481.9159.9-165.80000107.4
12L35.3Very low33.6Very low117 Ų117132.2 Ų132.261%0.61371%0.714SS**  60.575.177.8-59.8-176.5000113.5N10N10-L12 HydrophobicContact CB-CG 4.24Å
13Y31.3Very low33Very low222 Ų222130 Ų13087%0.87170%0.702SS**  trans40104.9140.9-44.3-60.1000117.8
14R33.6Very low32.7Very low225 Ų225125 Ų12585%0.84969%0.691SS**  trans-135.1103.1-179.4-170.5-177.1-164.2176.48112.1
15L30.8Very low32.9Very low149 Ų149122.8 Ų122.878%0.7869%0.69SS**  trans63.7170.9155.9-78.1155.1000118.8
16D33.3Very low32.7Very low138 Ų138129.4 Ų129.474%0.73870%0.7SS**  trans68.1120.9172.4-60.5-50.4000117
17S33Very low32.9Very low101 Ų101127.7 Ų127.771%0.70670%0.697SS**  cis117.1164.631.1-81.90000107.9
18V41.9Very low33.2Very low119 Ų119130.6 Ų130.672%0.72170%0.704SS**  trans8084.4173.5-1660000117
19F32.3Very low33.6Very low80 Ų80127.1 Ų127.135%0.35169%0.69SS.*  56.3126.5115.2-85.1-134000121.2Q53 A54 Q56F19-Q53 HydrophobicContact CZ-CB 3.77Å; F19-A54 VanDerWaalsContact CD2-O 3.31Å; F19-A54 WeakPolarHBondContact CD2-O 3.37Å; F19-A54 WeakPolarHBondContact CG-O 3.41Å; F19-Q56 VanDerWaalsContact C-N 3.3Å; F19-Q56 HydrophobicContact CB-CB 4.44Å; F19-Q56 HydrophobicContact CD1-CG 4.34Å
20N31.5Very low34.1Very low94 Ų94130.2 Ų130.250%0.50370%0.695SS.*  trans-147.782.2174-88.6-38.1000119.4S55 Q56 L57N20-S55 VanDerWaalsContact N-CA 3.3Å; N20-S55 PolarHBondContact N-OG 3.3Å; N20-Q56 VanDerWaalsContact CA-N 3.33Å; N20-L57 VanDerWaalsContact CA-CB 3.44Å; N20-L57 HydrophobicContact CB-CB 3.6Å; N20-L57 HydrophobicContact CB-CD1 3.98Å; N20-L57 HydrophobicContact CB-CG 4.33Å; N20-L57 WeakPolarHBondContact OD1-CB 3.46Å; N20-L57 WeakPolarHBondContact OD1-CD2 3.41Å
21E32.6Very low34.4Very low70 Ų70132.4 Ų132.433%0.32770%0.7SS.*  trans-136.9132.1175.3-108.2-162.6119.600115.8A54 S55 Q56 L57E21-A54 WeakPolarHBondContact OE2-CB 3.25Å; E21-S55 VanDerWaalsContact CB-CB 3.48Å; E21-S55 WeakPolarHBondContact CB-O 3.35Å; E21-S55 VanDerWaalsContact N-CB 3.34Å; E21-Q56 VanDerWaalsContact N-CA 3.26Å; E21-Q56 CarbonylContact O-C 3.55Å; E21-Q56 WeakPolarHBondContact O-CA 3.47Å; E21-L57 CarbonylContact C-O 3.38Å; E21-L57 PolarHBondContact O-N 3.39Å
22R35.3Very low34.6Very low192 Ų192131.9 Ų131.973%0.72570%0.696SS**  56.2114.2119-173.5179-88.1150.8-9.3124.4L57R22-L57 PolarHBondContact N-O 3.29Å
23A31Very low34.8Very low60 Ų60135.8 Ų135.850%0.49671%0.712SS.*  trans172.9144.2131.700000110.4P59A23-P59 WeakPolarHBondContact O-CD 3.49Å; A23-P59 WeakPolarHBondContact O-CG 3.26Å
24G30.7Very low35.1Very low44 Ų44136.9 Ų136.945%0.45471%0.714SS.*  cis176.9-162.41.500000109.5R61G24-R61 PolarHBondContact O-NE 2.98Å; G24-R61 PolarHBondContact O-NH2 2.82Å
25P33.4Very low35.2Very low108 Ų108137.6 Ų137.670%0.70172%0.717SS**  cis-103.4-168.3-21.340-27.6000111.8R61P25-R61 VanDerWaalsContact CD-NH2 3.29Å
26R30.7Very low35.2Very low237 Ų237141.4 Ų141.489%0.89472%0.722SS**  trans-105.5157.7171.1-72.4-178.516999.7-5.3111.3
27M37.3Very low35.3Very low178 Ų178146.2 Ų146.288%0.87773%0.73SS**  trans-130.4158.1158.5-84.9-62.8179.800109.2
28P33.8Very low35.3Very low126 Ų126150 Ų15082%0.81874%0.737SS**  trans-82.4157.4-16232.2-36.5000114.6
29G39.6Very low35.1Very low65 Ų65149.9 Ų149.967%0.6774%0.738SS**  trans-170.6108175.500000113.9
30T44.8Very low35.1Very low138 Ų138152.6 Ų152.685%0.84776%0.761SS**  trans39.282.8151.859.60000119.5S32T30-S32 PolarHBondContact O-N 2.94Å
31Q36.5Very low35.3Very low196 Ų196154 Ų15492%0.91677%0.773SS**  23.385123.2-167.6-174.529.500119
32S37.6Very low35.3Very low110 Ų110156.3 Ų156.377%0.76979%0.794SS**  trans179.598.4137.854.80000114.2T30T30-S32 PolarHBondContact O-N 2.94Å
33E39.5Very low35.3Very low199 Ų199155.1 Ų155.193%0.9380%0.8SS**  trans-168.6149.3138-114.7-173.8145.700111.6
34R38.1Very low35.6Very low246 Ų246157.6 Ų157.693%0.92881%0.813SS**  trans-90.6131.1-169.4-68.9-178.3175-175.5-2.2112.2
35R36.3Very low36Very low239 Ų239160.1 Ų160.190%0.90282%0.824SS**  trans-77.4132.4174.2-66.1175.1177.4163.2-0.9111.1
36Y30.9Very low36.3Very low229 Ų229162.3 Ų162.390%0.89883%0.828SS**  trans-112.1114149.9-94.5-86000109.2
37R34.3Very low36.7Very low239 Ų239158.5 Ų158.590%0.90283%0.826SS**  trans-146.8123.5164.8-76.8-167.5172.3-128.5-0.9108.3
38H33.8Very low36.8Very low182 Ų182154.5 Ų154.584%0.84382%0.821SS**  trans-67.6144.1168-93.9-95.5000110.3
39P36.4Very low36.8Very low115 Ų115153.5 Ų153.575%0.74782%0.815SS**  trans-76.2148.9170.932.8-34.2000110.9
40V32.1Very low36.4Very low138 Ų138158.1 Ų158.184%0.83682%0.818SS**  trans-132.7131.5164.4179.70000106.9
41V36.4Very low35.9Very low123 Ų123161.3 Ų161.375%0.74582%0.817SS**PPolyproline II helixtrans-79.9135.2-172.5-178.60000110.3I43V41-I43 PolarHBondContact O-N 2.99Å
42P33.6Very low35.7Very low119 Ų119156.8 Ų156.877%0.77381%0.813SS**PPolyproline II helixtrans-73.5123.1173.429.9-33.3000110.8
43I34.6Very low35.4Very low167 Ų167157.6 Ų157.686%0.85680%0.804SS**PPolyproline II helixtrans-87.1121.2169.6-62.4176.2000108.4V41V41-I43 PolarHBondContact O-N 2.99Å
44S36.7Very low35.2Very low111 Ų111150.9 Ų150.978%0.77678%0.783SS**  trans-104.698.3-176.956.60000112.4
45S39.8Very low35.1Very low97 Ų97141.2 Ų141.268%0.67875%0.753SS**  trans174.9113.3142.552.40000112.9
46I39.4Very low35Very low154 Ų154134.9 Ų134.979%0.7973%0.734SS**SBendtrans69.1153.1147.2-56.9166.4000116.1
47D38.8Very low35Very low157 Ų157127.7 Ų127.784%0.8471%0.71SS**  trans60.949.9175.6-61.1-17.2000119.1
48A38.9Very low35Very low94 Ų94122.7 Ų122.778%0.77769%0.692SS**  trans-96.4125.8164.100000112.1
49P35.1Very low34.8Very low106 Ų106117.8 Ų117.869%0.68868%0.676SS**  trans-75.3143.7-174.928.9-34.7000114.1Y51P49-Y51 PolarHBondContact O-N 3.5Å
50H30.6Very low34.5Very low161 Ų161119.4 Ų119.475%0.74568%0.676SS**SBendtrans-84.370.9-160.8-166.2-71.9000114.7
51Y35.4Very low34.4Very low206 Ų206121.2 Ų121.281%0.80867%0.668SS**  trans-130.81.516978.5-88.2000115.8P49 Q53P49-Y51 PolarHBondContact O-N 3.5Å; Y51-Q53 VanDerWaalsContact C-N 3.34Å; Y51-Q53 PolarHBondContact O-N 2.97Å; Y51-Q53 VanDerWaalsContact O-N 3.15Å
52A30.3Very low34Very low101 Ų101121.2 Ų121.284%0.83567%0.673SS**  trans-8764.8175.600000112.3
53Q31.7Very low33.9Very low127 Ų127120.6 Ų120.659%0.59367%0.672SS**  trans-126.9136.9166.5-66.4-168.3-1500110.4F19 Y51F19-Q53 HydrophobicContact CZ-CB 3.77Å; Y51-Q53 VanDerWaalsContact C-N 3.34Å; Y51-Q53 PolarHBondContact O-N 2.97Å; Y51-Q53 VanDerWaalsContact O-N 3.15Å
54A35.4Very low34Very low58 Ų58118.1 Ų118.148%0.47967%0.669SS.*  trans-87.8-93.6-160.200000113.4F19 E21F19-A54 VanDerWaalsContact CD2-O 3.31Å; F19-A54 WeakPolarHBondContact CD2-O 3.37Å; F19-A54 WeakPolarHBondContact CG-O 3.41Å; E21-A54 WeakPolarHBondContact OE2-CB 3.25Å
55S36Very low33.9Very low43 Ų43122.1 Ų122.130%0.30168%0.676SS.*  trans-169.9153.6-142.2-95.20000115.1N20 E21N20-S55 VanDerWaalsContact N-CA 3.3Å; N20-S55 PolarHBondContact N-OG 3.3Å; E21-S55 VanDerWaalsContact CB-CB 3.48Å; E21-S55 WeakPolarHBondContact CB-O 3.35Å; E21-S55 VanDerWaalsContact N-CB 3.34Å
56Q33.8Very low33.6Very low106 Ų106127.9 Ų127.950%0.49568%0.683SS.*  trans-147.994.3176.6-77.1-168.382.800113.5F19 N20 E21 Y58F19-Q56 VanDerWaalsContact C-N 3.3Å; F19-Q56 HydrophobicContact CB-CB 4.44Å; F19-Q56 HydrophobicContact CD1-CG 4.34Å; N20-Q56 VanDerWaalsContact CA-N 3.33Å; E21-Q56 VanDerWaalsContact N-CA 3.26Å; E21-Q56 CarbonylContact O-C 3.55Å; E21-Q56 WeakPolarHBondContact O-CA 3.47Å; Q56-Y58 HydrophobicContact CB-CE2 3.79Å; Q56-Y58 HydrophobicContact CG-CE2 4Å; Q56-Y58 PolarHBondContact OE1-OH 2.96Å
57L32.8Very low33.4Very low77 Ų77126.7 Ų126.740%0.40368%0.678SS.*  trans-136.184.1-177.8-179.4174.9000107.1N20 E21 R22N20-L57 VanDerWaalsContact CA-CB 3.44Å; N20-L57 HydrophobicContact CB-CB 3.6Å; N20-L57 HydrophobicContact CB-CD1 3.98Å; N20-L57 HydrophobicContact CB-CG 4.33Å; N20-L57 WeakPolarHBondContact OD1-CB 3.46Å; N20-L57 WeakPolarHBondContact OD1-CD2 3.41Å; E21-L57 CarbonylContact C-O 3.38Å; E21-L57 PolarHBondContact O-N 3.39Å; R22-L57 PolarHBondContact N-O 3.29Å
58Y33.3Very low33.1Very low134 Ų134126.8 Ų126.853%0.52568%0.678SS.*PPolyproline II helixtrans-76.8128.2-172-66-81.2000111Q56 M60Q56-Y58 HydrophobicContact CB-CE2 3.79Å; Q56-Y58 HydrophobicContact CG-CE2 4Å; Q56-Y58 PolarHBondContact OE1-OH 2.96Å; Y58-M60 PolarHBondContact O-N 3.16Å
59P30.2Very low32.8Very low79 Ų79127.4 Ų127.451%0.51367%0.672SS.*PPolyproline II helixtrans-70.8128.4168.631.1-33.7000109.4A23A23-P59 WeakPolarHBondContact O-CD 3.49Å; A23-P59 WeakPolarHBondContact O-CG 3.26Å
60M29.2Very low32.5Very low150 Ų150133.5 Ų133.574%0.73968%0.683SS**PPolyproline II helixtrans-78141.1176.1-66.1-96.375.300110.8Y58Y58-M60 PolarHBondContact O-N 3.16Å
61R30.9Very low32.4Very low175 Ų175135.5 Ų135.566%0.6668%0.684SS**  trans-119.3137.9166.1-71.1176.3172.2-100.7-4.6108.7G24 P25G24-R61 PolarHBondContact O-NE 2.98Å; G24-R61 PolarHBondContact O-NH2 2.82Å; P25-R61 VanDerWaalsContact CD-NH2 3.29Å
62S27Very low31.9Very low123 Ų123136.2 Ų136.286%0.8669%0.687SS**  trans-87.2114.3163.853.80000109.1
63S32.4Very low31.7Very low106 Ų106139.5 Ų139.574%0.74168%0.682SS**  trans-148.3123.3173.6-56.90000108.7
64S35.8Very low31.7Very low116 Ų116139.6 Ų139.681%0.81169%0.694SS**  trans-99.594.4-174.252.20000110.8
65E35.4Very low31.5Very low194 Ų194140.8 Ų140.891%0.90771%0.712SS**  trans-161.7174.7156.7-114.5154.9-178.700110.9
66R33.7Very low31.1Very low219 Ų219144.5 Ų144.583%0.82674%0.738SS**  trans-103.8163-150.7-50.9-176.3-179.5111.81.3114.5
67D33.8Very low31.2Very low129 Ų129148.1 Ų148.169%0.6976%0.76SS**  trans59.7101.2153.2-48.1-37.6000118.8
68N33.4Very low31.1Very low159 Ų159148 Ų14885%0.8578%0.777SS**  178.2151.998.6-92.8-71.4000111.8
69V32.3Very low30.9Very low106 Ų106153.2 Ų153.264%0.64280%0.796SS**  trans-128135.7-172.5174.70000111.5
70Y29.8Very low31Very low234 Ų234154.5 Ų154.592%0.91881%0.807SS**  trans-135.3145.8163.3-95.1-92000110.4
71W27.7Very low31.4Very low203 Ų203152.7 Ų152.777%0.76981%0.809SS**  trans-126.1147.9-178-78.493.6000111.5
72Y25.4Very low31.5Very low221 Ų221153.3 Ų153.387%0.86782%0.819SS**  trans-147.1152.4160.7-134.4-96.9000111
73K26.5Very low31.7Very low170 Ų170151.2 Ų151.274%0.73982%0.817SS**  trans-142.6126.7179.8-74-177.7178176.20111.5
74P31.4Very low31.7Very low130 Ų130151.8 Ų151.884%0.84482%0.821SS**  trans-82.1146160.3-11.329.3000111.5
75G30.2Very low31.8Very low82 Ų82152.2 Ų152.285%0.84582%0.824SS**  trans-85.6177.3178.300000114.5
76S29.1Very low31.7Very low121 Ų121149.1 Ų149.185%0.84682%0.824SS**  trans-135.1128.5-175.5-179.20000113.1
77L34.1Very low31.9Very low183 Ų183144.5 Ų144.596%0.95883%0.825SS**  trans-152.9151.8167.1-68176.4000106.2
78G30.9Very low31.8Very low75 Ų75144.6 Ų144.677%0.77383%0.83SS**  cis-165.8168.9-4.800000108
79R29.1Very low31.9Very low243 Ų243145.1 Ų145.192%0.91783%0.832SS**  trans-133.7167.8-165.3-149.9-172.7-166.9-165.58.7113
80S32.5Very low32Very low106 Ų106143.3 Ų143.374%0.74183%0.834SS**  trans87150.4165.4-52.20000115.6
81S37.1Very low32Very low112 Ų112141.8 Ų141.878%0.78384%0.835SS**  cis-161.2168.1-5.930.60000113.5
82Q33.7Very low32.3Very low187 Ų187137.1 Ų137.187%0.87483%0.834SS**  trans-31.7154.1174.1-62.4167.8-18.900119.5
83G31.8Very low32.7Very low79 Ų79134.1 Ų134.181%0.81483%0.831SS**  trans-142146.5150.500000109.9
84S32.7Very low33Very low119 Ų119131.8 Ų131.883%0.83283%0.831SS**  trans-138.4138.9-171.4-57.90000112
85S38.2Very low33.3Very low125 Ų125129.4 Ų129.487%0.87481%0.81SS**  trans-154.7133169.356.50000111.6
86S32.4Very low33.6Very low128 Ų128130.1 Ų130.190%0.89580%0.8SS**  trans-96.2145.7-174.8-52.70000113.2
87S37.1Very low34Very low122 Ų122126.1 Ų126.185%0.85377%0.77SS**  trans-156.3153.5149.7530000111.1
88T32.4Very low34.2Very low131 Ų131120.7 Ų120.780%0.80474%0.744SS**  trans-83.4141.9-173.641.70000113.3
89I36.4Very low34.4Very low171 Ų171122.6 Ų122.688%0.87773%0.733SS**  trans164.8137138.3-87.5154.6000109.4
90G32.9Very low34.7Very low67 Ų67118.2 Ų118.269%0.69173%0.727SS**  trans63.6100.9160.700000118.3S92G90-S92 PolarHBondContact O-N 3.31Å; G90-S92 VanDerWaalsContact O-N 3.14Å
91Q30.8Very low34.7Very low202 Ų202116.7 Ų116.794%0.94473%0.728SS**  trans-73.1103.6170.6-74.7-176.6-2600112.1
92S32.6Very low34.6Very low105 Ų105115.8 Ų115.873%0.73473%0.728SS**  trans-84.3119.7166.251.70000110.9G90 V94G90-S92 PolarHBondContact O-N 3.31Å; G90-S92 VanDerWaalsContact O-N 3.14Å; S92-V94 PolarHBondContact O-N 3.31Å
93I33.9Very low34.8Very low158 Ų158112.8 Ų112.881%0.8173%0.727SS**  trans-85.8104.2171.1-60.1176.6000107.9I95I93-I95 HydrophobicContact CG2-CG1 4.44Å
94V34.2Very low35Very low122 Ų122120.9 Ų120.974%0.73973%0.733SS**  trans-84.1119.6175.1-1790000109.4S92S92-V94 PolarHBondContact O-N 3.31Å
95I37.3Very low34.9Very low79 Ų79118.6 Ų118.641%0.40573%0.728SS.*  trans-98.7115.5172.2-57.2-178.1000107.8I93 V97 F418I93-I95 HydrophobicContact CG2-CG1 4.44Å; I95-V97 PolarHBondContact O-N 3.3Å; I95-F418 HydrophobicContact CD1-CE1 3.73Å; I95-F418 HydrophobicContact CD1-CZ 4.06Å
96P36.1Very low34.6Very low97 Ų97118 Ų11863%0.6373%0.725SS**  trans-73.798.8-177.428.7-33.9000111.2V98P96-V98 PolarHBondContact O-N 2.9Å
97V36.9Very low34.6Very low38 Ų38120.4 Ų120.423%0.2373%0.725CS.*  trans-81.5106.5172.5-174.60000109.4I95 H99 L415I95-V97 PolarHBondContact O-N 3.3Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.4Å; V97-H99 PolarHBondContact O-N 3.48Å; V97-L415 HydrophobicContact CG1-CD2 4.2Å; V97-L415 HydrophobicContact CG2-CD1 4.21Å
98V39.9Very low34.4Very low68 Ų68119.2 Ų119.241%0.41272%0.717SS.*  trans-83.8105.6178.4-178.70000109.9P96 L381P96-V98 PolarHBondContact O-N 2.9Å; V98-L381 HydrophobicContact CB-CD2 4.29Å; V98-L381 HydrophobicContact CG2-CD2 3.61Å
99H34.8Very low34.2Very low116 Ų116118.6 Ų118.654%0.53772%0.718SS.*  trans-88.5124.7170.5-69.4-98.9000110.5V97 G101V97-H99 WeakPolarHBondContact CG1-NE2 3.4Å; V97-H99 PolarHBondContact O-N 3.48Å; H99-G101 PolarHBondContact O-N 3.01Å
100L34.7Very low34.1Very low151 Ų151115.6 Ų115.679%0.79171%0.712SS**  trans-80.9112.6164.5-7782.9000109.2F404L100-F404 HydrophobicContact CD1-CE1 4.48Å
101G32.2Very low34.1Very low74 Ų74117.9 Ų117.976%0.76372%0.718SS**  trans44.877155.300000118.4H99H99-G101 PolarHBondContact O-N 3.01Å
102A35.8Very low34.2Very low93 Ų93118.8 Ų118.877%0.76971%0.714SS**  trans-100.294159.100000109.6R104A102-R104 PolarHBondContact O-N 3.09Å
103S36.9Very low34.1Very low124 Ų124119.4 Ų119.487%0.86771%0.714SS**  trans-62.2130-179.6-550000111.5
104R37.4Very low34.1Very low248 Ų248121 Ų12194%0.93672%0.72SS**  trans-82.4131.8177.9-74.5-178.3167.6-164.6-3.5111.5A102A102-R104 PolarHBondContact O-N 3.09Å
105G30.4Very low34.1Very low71 Ų71118.9 Ų118.973%0.73272%0.715SS**  trans82.1105.6149.500000117.3
106S32.7Very low33.8Very low114 Ų114120 Ų12080%0.79773%0.73SS**  trans-159.7104.7143.7-80.80000108.3S108S106-S108 PolarHBondContact O-N 3.1Å
107I30.8Very low33.8Very low178 Ų178123.1 Ų123.191%0.91374%0.736SS**  trans-83.6107.5170.4-58.2171.1000106
108S33Very low33.6Very low96 Ų96126.3 Ų126.367%0.67176%0.76SS**  trans-134.2103.8178.254.10000109.9S106 S110S106-S108 PolarHBondContact O-N 3.1Å; S108-S110 PolarHBondContact O-N 3.44Å
109S29.4Very low33.6Very low119 Ų119127.4 Ų127.483%0.83277%0.77SS**  trans-67.5125.6178-53.20000111.1
110S34.2Very low33.8Very low108 Ų108130.6 Ų130.676%0.75579%0.785SS**  trans-137.892.2170.1-71.70000109.5S108S108-S110 PolarHBondContact O-N 3.44Å
111S31.9Very low33.8Very low115 Ų115130.2 Ų130.280%0.80478%0.784SS**  trans-69.1131.6176.550.90000111.8
112Y33.5Very low34.3Very low221 Ų221133.6 Ų133.687%0.86778%0.784SS**  trans-128.3128.2152.557.6-88.6000109
113T30Very low34.3Very low118 Ų118135.4 Ų135.472%0.72478%0.781SS**  trans-112.1129-176.9-50.10000108.7
114M34.8Very low34.3Very low191 Ų191137 Ų13794%0.94178%0.779SS**  trans-136.5138.2159.6-77.1-63.4173.500107.4
115A32.5Very low34.3Very low78 Ų78131.3 Ų131.365%0.64577%0.773SS**  trans-142.5158.4-167.700000111.5
116S31.7Very low35Very low101 Ų101132.7 Ų132.771%0.70677%0.769SS**  trans61.2154176.338.10000114.9
117H35.5Very low35.2Very low163 Ų163134.5 Ų134.576%0.75577%0.769SS**  cis-129.7142.317.7-68.1-91.4000109.3
118S33.3Very low35.6Very low106 Ų106130.2 Ų130.274%0.74176%0.76SS**  33.3131.789.364.40000114.3
119S41Very low35.9Very low90 Ų90132.6 Ų132.663%0.62977%0.765SS**  cis-155157.331.460.30000111.4
120E38.6Very low36.4Very low183 Ų183134.9 Ų134.986%0.85576%0.763SS**  55.3143100.3-54.2173.4150.400116.4
121N34.8Very low36.6Very low143 Ų143135.2 Ų135.277%0.76576%0.76SS**  cis-171176.5-19.2-166.43.7000108.2
122L42.2Very low37.3Very low146 Ų146135.8 Ų135.876%0.76475%0.754SS**  trans78.3148.3160.4-64.8165.4000121.1
123D36.4Very low37.4Very low130 Ų130132.5 Ų132.570%0.69575%0.752SS**  trans-77.6155.3-172.3-46.7-102.4000115
124N35.5Very low37.8Very low157 Ų157130.5 Ų130.584%0.8475%0.754SS**  176.7164.4104.9-95.1-71.3000113.6
125T38.6Very low38Very low130 Ų130130.2 Ų130.280%0.79875%0.751SS**  trans-121.3-179.4176.250.80000109.6
126P44.2Very low38.3Very low99 Ų99130.9 Ų130.964%0.64375%0.751SS**  cis-131.2-163.1-1527.8-3.8000113.3
127N37.2Very low38.7Very low152 Ų152131 Ų13181%0.81375%0.748SS**  trans74.5119.6153.4-63-20.9000120.7
128A39.7Very low39.1Very low88 Ų88131.8 Ų131.873%0.72775%0.749SS**  178.3136100.600000113.5
129L39.6Very low39.2Very low147 Ų147132.3 Ų132.377%0.7775%0.753SS**  trans59129151.6-58170.4000118.7
130Q39.4Very low39.2Very low167 Ų167133 Ų13378%0.7876%0.758SS**  67.3131.261.9-72.9-172-14.400114.3
131T38.7Very low39.3Very low115 Ų115129.3 Ų129.371%0.70675%0.747SS**  cis-143.7-159.2-19.650.60000107.5
132D45.5Very low39.5Very low126 Ų126131.1 Ų131.167%0.67475%0.749SS**  cis-158.3-159.85.7-137.6-53.2000113.4
133N36.4Very low39.2Very low152 Ų152135 Ų13581%0.81375%0.753SS**  trans-118.5162.1-167-60.4-86.7000115.2
134G39.5Very low39Very low76 Ų76135 Ų13578%0.78476%0.758SS**  trans100.2158.2162.100000116.3
135E37.7Very low39Very low186 Ų186133.4 Ų133.487%0.86976%0.759SS**  cis-156.7143.1-14-176.5165.4106.900112.3
136S38.7Very low38.9Very low91 Ų91132.8 Ų132.864%0.63676%0.76SS**  trans28145.3155.1-52.90000125.9
137T41.2Very low38.7Very low105 Ų105134.2 Ų134.264%0.64477%0.767SS**  trans112139.7137.270.30000121.3
138K42.5Very low38.7Very low178 Ų178134.4 Ų134.477%0.77477%0.767SS**  trans73.393.7155-63.5137.5-163.6151.30118.9
139S37Very low38.7Very low118 Ų118136.2 Ų136.283%0.82577%0.769SS**  trans-29.6140.1140.452.30000116
140S40Very low38.9Very low105 Ų105134.2 Ų134.273%0.73477%0.774SS**  179.7114.8120.5-156.90000113.7
141T41.2Very low38.9Very low105 Ų105129.8 Ų129.864%0.64477%0.773SS**  71.5122.6125.8-54.60000123.2
142F38.3Very low39Very low180 Ų180132.2 Ų132.279%0.78978%0.782SS**  trans76.3139.3149.2-72.6-31.9000124.6
143R36.8Very low38.9Very low228 Ų228137.3 Ų137.386%0.8679%0.791SS**  trans79.4111.9145.9-75164.9-172.3-121.70.5120.2
144T31.3Very low39.3Very low131 Ų131135.5 Ų135.580%0.80479%0.788SS**  trans-49.6145.1156.748.30000115
145S36.1Very low39.6Very low123 Ų123139.6 Ų139.686%0.8679%0.79SS**  -170.7154.5123-80.40000113.7
146S36.1Very low39.7Very low117 Ų117137.4 Ų137.482%0.81878%0.784SS**  trans-80.2150.9-167.6-43.90000116.9
147V39Very low39.8Very low129 Ų129143.6 Ų143.678%0.78279%0.794SS**  trans-147.2109150.5-177.20000107
148L38.6Very low39.6Very low156 Ų156143.9 Ų143.982%0.81780%0.798SS**  52.2136.7101.5-52.9177000115.2
149T39.9Very low39.4Very low126 Ų126140 Ų14077%0.77380%0.798SS**  -174.6140.675.4-67.10000113.7
150A43.1Very low40Very low105 Ų105140 Ų14087%0.86880%0.795SS**  trans55.1156.816200000119.6
151G38.8Very low40.5Very low73 Ų73140.7 Ų140.775%0.75380%0.798SS**  cis-174.4151.9-7.700000107.7
152N41.1Very low40.6Very low167 Ų167144 Ų14489%0.89381%0.81SS**  -160.9-178.159.2-145.1-16.4000113.2
153R44.1Very low41.6Very low233 Ų233139 Ų13988%0.87980%0.798SS**  trans-76.1168.6-155-87.3-175.7163.5-170.2-4.1120.5
154P45.1Very low43.2Very low113 Ų113133.6 Ų133.673%0.73479%0.786SS**  trans-120.8-175-164.445.5-34.2000116
155I45.7Very low45.5Very low162 Ų162131.4 Ų131.483%0.83177%0.774SS**  trans-132.8133.5162.2-61.6-177.3000111.8
156N38.5Very low47.7Very low140 Ų140132.7 Ų132.775%0.74977%0.766SS**  trans-8.5152151.8-87.7-40.1000120.1
157R41.1Very low49.8Very low221 Ų221129.8 Ų129.883%0.83475%0.75SS**  cis-161.2-154.1-3.7-149.9-179-175.5-160.92111.1
158P38.3Very low51.8Low112 Ų112128.8 Ų128.873%0.72774%0.737SS**  -99174.5-128.643.3-29.9000116.5
159A36.6Very low54.2Low96 Ų96125.7 Ų125.779%0.79372%0.724SS**  trans-93.7144.6174.200000113.9
160P51.4Low56.4Low117 Ų117124.6 Ų124.676%0.7671%0.713SS**  trans-97.2179.216337.6-29.7000112
161P48.7Very low58.4Low121 Ų121122.5 Ų122.579%0.78670%0.696SS**  trans-106.2-166-14233.9-23.1000116.5
162L44.5Very low60.8Low173 Ų173124.5 Ų124.591%0.90669%0.689SS**PPolyproline II helixtrans-46131.8-176-73.172.9000113.2
163S58.8Low63.1Low77 Ų77120.1 Ų120.154%0.53867%0.668SS.*PPolyproline II helixtrans-78.2131.9162.739.70000110.9E168S163-E168 PolarHBondContact OG-OE1 3.34Å
164D71.1Confident65Low114 Ų114112.1 Ų112.161%0.6164%0.643SS**PPolyproline II helixtrans-69.1136.9165.7-117.6-42.3000109.2E166 A167 E168D164-E166 PolarHBondContact O-N 2.99Å; D164-A167 HydrophobicContact CB-CB 4.27Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 2.99Å; D164-E168 PolarHBondContact O-N 2.71Å
165P79.2Confident67Low84 Ų84112.1 Ų112.155%0.54564%0.636SS.*Hα-helixtrans-62.6-31.4179.124.8-34000112.8A167 E168 V169P165-A167 VanDerWaalsContact C-N 3.27Å; P165-A167 PolarHBondContact O-N 3.2Å; P165-E168 PolarHBondContact O-N 2.98Å; P165-V169 WeakPolarHBondContact O-CG2 3.41Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.16Å
166E82.5Confident69Low150 Ų150109.5 Ų109.570%0.70162%0.623SS**Hα-helixtrans-55.6-41.9170.2-114.979.1169.800111.5D164 V169 D170D164-E166 PolarHBondContact O-N 2.99Å; E166-V169 PolarHBondContact O-N 3.26Å; E166-D170 PolarHBondContact O-N 2.95Å
167A80.7Confident71.2Confident56 Ų56107.2 Ų107.246%0.46361%0.609SS.*Hα-helixtrans-72.3-30.4-17800000112.9D164 P165 A171D164-A167 HydrophobicContact CB-CB 4.27Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 2.99Å; P165-A167 VanDerWaalsContact C-N 3.27Å; P165-A167 PolarHBondContact O-N 3.2Å; A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.98Å
168E81.1Confident73.3Confident109 Ų109102 Ų10251%0.50959%0.594SS.*Hα-helixtrans-69.2-37.7171-71-171.7-176.100111.8S163 D164 P165 L172S163-E168 PolarHBondContact OG-OE1 3.34Å; D164-E168 PolarHBondContact O-N 2.71Å; P165-E168 PolarHBondContact O-N 2.98Å; E168-L172 WeakPolarHBondContact O-CB 3.01Å; E168-L172 VanDerWaalsContact O-CG 3.26Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 2.92Å
169V88Confident75.3Confident91 Ų9199.6 Ų99.655%0.55258%0.58SS**Hα-helixtrans-65.8-42.6174.7173.40000111.2P165 E166 L172 T173P165-V169 WeakPolarHBondContact O-CG2 3.41Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.16Å; E166-V169 PolarHBondContact O-N 3.26Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-T173 WeakPolarHBondContact O-CB 3.37Å; V169-T173 PolarHBondContact O-N 3.4Å; V169-T173 PolarHBondContact O-OG1 3.33Å
170D86.6Confident77Confident102 Ų102101 Ų10155%0.54557%0.572SS.*Hα-helixtrans-70.1-37.8179.7-142.247.9000111.6E166 T173 N174E166-D170 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-N 3.28Å; D170-N174 PolarHBondContact O-N 3.38Å; D170-N174 PolarHBondContact O-ND2 3.31Å
171A84.3Confident78Confident61 Ų61101.9 Ų101.950%0.50457%0.566SS.*Hα-helixtrans-62.5-43.817200000112.6A167 T173 L175A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.98Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.49Å; A171-L175 WeakPolarHBondContact O-CB 3.12Å; A171-L175 PolarHBondContact O-N 3.5Å
172L88.7Confident78.6Confident115 Ų115101.3 Ų101.360%0.60256%0.56SS**Hα-helixtrans-65.3-36175.2-74.2170.2000112.3E168 V169 L175 L176E168-L172 WeakPolarHBondContact O-CB 3.01Å; E168-L172 VanDerWaalsContact O-CG 3.26Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 2.92Å; V169-L172 PolarHBondContact O-N 2.99Å; L172-L175 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 PolarHBondContact O-N 3.2Å
173T90.1Very high78.8Confident75 Ų75103.5 Ų103.546%0.4656%0.556SS.*Hα-helixtrans-67.6-45.9177.7-58.40000111.2V169 D170 A171 L175 L176 M177V169-T173 WeakPolarHBondContact O-CB 3.37Å; V169-T173 PolarHBondContact O-N 3.4Å; V169-T173 PolarHBondContact O-OG1 3.33Å; D170-T173 PolarHBondContact O-N 3.28Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.49Å; T173-L175 PolarHBondContact O-N 2.76Å; T173-L176 PolarHBondContact O-N 3.17Å; T173-M177 WeakPolarHBondContact O-CB 3.33Å; T173-M177 PolarHBondContact O-N 3.32Å
174N85.1Confident78Confident66 Ų66104.1 Ų104.135%0.35356%0.561SS.*Hα-helixtrans-62.9-40.5174.8-78.9-75.9000112.3D170 L176 M177 Q178D170-N174 PolarHBondContact O-N 3.38Å; D170-N174 PolarHBondContact O-ND2 3.31Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.27Å; N174-M177 PolarHBondContact O-N 2.66Å; N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 3.07Å
175L86.1Confident76.5Confident113 Ų113104.3 Ų104.359%0.59257%0.571SS**Hα-helixtrans-64-39.5175.6-167.174.8000112A171 L172 T173 S179A171-L175 WeakPolarHBondContact O-CB 3.12Å; A171-L175 PolarHBondContact O-N 3.5Å; L172-L175 PolarHBondContact O-N 3Å; T173-L175 PolarHBondContact O-N 2.76Å; L175-S179 WeakPolarHBondContact O-CB 3.22Å; L175-S179 PolarHBondContact O-N 3.46Å
176L86.7Confident74.8Confident107 Ų107107.3 Ų107.356%0.5659%0.588SS**Hα-helixtrans-67.5-40.2177-166.1150.1000111.1L172 T173 N174 S179 M180L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 PolarHBondContact O-N 3.2Å; T173-L176 PolarHBondContact O-N 3.17Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.27Å; L176-S179 WeakPolarHBondContact O-CB 3.31Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 PolarHBondContact O-OG 2.89Å; L176-M180 HydrophobicContact CD2-CE 4.32Å; L176-M180 HydrophobicContact CD2-SD 4.45Å; L176-M180 PolarHBondContact O-N 3.5Å
177M86.5Confident72.7Confident91 Ų91105.3 Ų105.345%0.44859%0.59SS.*Hα-helixtrans-60.9-49.7175.2-163.9152.86100111.5T173 N174 S179 M180 E181T173-M177 WeakPolarHBondContact O-CB 3.33Å; T173-M177 PolarHBondContact O-N 3.32Å; N174-M177 PolarHBondContact O-N 2.66Å; M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.33Å; M177-M180 PolarHBondContact O-N 3.48Å; M177-E181 PolarHBondContact O-N 3.24Å; M177-E181 VanDerWaalsContact O-N 3.1Å
178Q83.6Confident70.6Confident111 Ų111107.9 Ų107.952%0.51960%0.604SS.*Hα-helixtrans-60-32.8174.2-70.6173.74.900112.7N174 M180 E181 T182N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 3.07Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.28Å; Q178-E181 PolarHBondContact O-N 3.49Å; Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.45Å; Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.47Å
179S81.7Confident68.7Low62 Ų62107.8 Ų107.843%0.43462%0.622SS.*Hα-helixtrans-69.3-20175.683.40000114.2L175 L176 M177L175-S179 WeakPolarHBondContact O-CB 3.22Å; L175-S179 PolarHBondContact O-N 3.46Å; L176-S179 WeakPolarHBondContact O-CB 3.31Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 PolarHBondContact O-OG 2.89Å; M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.33Å
180M72.2Confident66.3Low127 Ų127106.8 Ų106.863%0.62663%0.63SS**Hα-helixtrans-88.4-40.1172.7-62.8-161.6-61.500111.5L176 M177 Q178 T182 R183L176-M180 HydrophobicContact CD2-CE 4.32Å; L176-M180 HydrophobicContact CD2-SD 4.45Å; L176-M180 PolarHBondContact O-N 3.5Å; M177-M180 PolarHBondContact O-N 3.48Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.28Å; M180-T182 PolarHBondContact O-N 2.91Å; M180-R183 PolarHBondContact O-N 2.76Å
181E72.4Confident64.2Low134 Ų134107.3 Ų107.363%0.62665%0.649SS**Hα-helixtrans-65-36.8177.8-66.4173.4143.400112.4M177 Q178 R183M177-E181 PolarHBondContact O-N 3.24Å; M177-E181 VanDerWaalsContact O-N 3.1Å; Q178-E181 PolarHBondContact O-N 3.49Å; E181-R183 PolarHBondContact O-N 2.86Å; E181-R183 VanDerWaalsContact O-N 3.09Å
182T60.6Low62Low109 Ų109108.1 Ų108.167%0.66966%0.664SS**THydrogen-bonded Turntrans-73.36.2178.649.40000114.9Q178 M180Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.45Å; Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.47Å; M180-T182 PolarHBondContact O-N 2.91Å
183R49.2Very low59.7Low219 Ų219106.1 Ų106.183%0.82667%0.671SS**SBendtrans-105.944.7170.8-59.5-167.376.2-170.33.2112.4M180 E181M180-R183 PolarHBondContact O-N 2.76Å; E181-R183 PolarHBondContact O-N 2.86Å; E181-R183 VanDerWaalsContact O-N 3.09Å
184S42.5Very low57.2Low91 Ų91108.5 Ų108.564%0.63669%0.685SS**SBendtrans-146.6155.2168-81.30000111.4
185S39.9Very low55Low117 Ų117113.1 Ų113.182%0.81871%0.709SS**  trans5187.9175.753.60000117.6
186V42.3Very low52.7Low148 Ų148114.1 Ų114.190%0.89772%0.72SS**  trans-131.2120.2142.5-162.40000110
187S38.3Very low50.6Low107 Ų107114.9 Ų114.975%0.74873%0.734SS**  trans-65.2169.2174.1-35.30000111.9
188S36.9Very low48.3Very low110 Ų110114 Ų11477%0.76975%0.749SS**  cis-179.2175.6-12.741.70000109.1
189A40.8Very low46.9Very low107 Ų107114 Ų11488%0.88476%0.759SS**  trans76143.5173.400000116.4
190G38.4Very low45Very low70 Ų70118.7 Ų118.772%0.72278%0.779SS**  cis178.3160.1-800000114.2
191A42.7Very low43.6Very low114 Ų114116.4 Ų116.494%0.94279%0.787SS**  trans61152.3177.700000117.2
192G38.3Very low42.3Very low78 Ų78116.3 Ų116.380%0.80480%0.796SS**  cis166.7106.4-9.600000114.3
193G39.3Very low41.2Very low73 Ų73118.3 Ų118.375%0.75380%0.802SS**  trans85.4169.4164.500000118.6
194T38.9Very low40.9Very low124 Ų124112.9 Ų112.976%0.76180%0.798SS**  cis-171.9119.8-26.3-94.80000109.9
195L37.5Very low40.8Very low163 Ų163114.1 Ų114.185%0.85381%0.806SS**  trans60.7170.6165.2-58.7169.5000115.9
196T38.3Very low41.3Very low135 Ų135114.8 Ų114.883%0.82881%0.808SS**  cis-132.7172.111.850.30000113.8
197S42.5Very low41.1Very low123 Ų123112.8 Ų112.886%0.8681%0.807SS**  trans-100.8162.3-172.552.90000116.2
198G38.6Very low41Very low73 Ų73111.6 Ų111.675%0.75381%0.812SS**  trans178.2118.6162.800000114.4
199P53.7Low41.1Very low111 Ų111112 Ų11272%0.72182%0.815SS**  trans-113.8-165.9179.742.1-33000114.4
200D41.6Very low41.1Very low160 Ų160115.3 Ų115.386%0.85682%0.817SS**  trans86.6131166-56.9-31.5000119.9
201G42.5Very low41Very low78 Ų78122.6 Ų122.680%0.80482%0.822SS**  trans170.6119.9178.300000110.8
202V46.4Very low40.8Very low133 Ų133129.3 Ų129.381%0.80682%0.823SS**  trans-126.8162-161.4-68.50000115.3
203N36.9Very low40.7Very low150 Ų150129.1 Ų129.180%0.80282%0.821SS**  trans91.1129.1146.3-96.61.2000123.1
204S43.3Very low40.6Very low105 Ų105132.2 Ų132.273%0.73483%0.831SS**  trans83.4121133.9-60.30000121.9
205S39.8Very low40.6Very low117 Ų117129.2 Ų129.282%0.81883%0.825SS**  trans-93.4166157.8-39.10000111.2
206P50.8Low40.9Very low131 Ų131129.5 Ų129.585%0.85183%0.826SS**  trans-121157.215336.9-27.3000112.7
207A38.1Very low40.7Very low107 Ų107130.4 Ų130.488%0.88483%0.826SS**  trans-109.7154174.300000111.5
208G36.5Very low40.4Very low82 Ų82129.2 Ų129.285%0.84582%0.818SS**  trans-131.4124.9175.100000111.5
209S38.7Very low40.8Very low118 Ų118134 Ų13483%0.82582%0.821SS**  trans-107.1154.2177.5-71.50000111.8
210L39.9Very low39.9Very low177 Ų177137.9 Ų137.993%0.92783%0.826SS**  trans-154.6164.3144.5-107.6167.3000110.2
211R36.9Very low39.8Very low223 Ų223133.5 Ų133.584%0.84282%0.819SS**  trans-132.9172.4-163.7-70-172.2178-147.34.8113.5
212R38.4Very low39.5Very low255 Ų255140.6 Ų140.696%0.96282%0.822SS**  trans99.2141.8168-56.2171.9-166.7-106.43.6113.2
213G36.2Very low39.1Very low73 Ų73141.1 Ų141.175%0.75382%0.819SS**  cis-162.7179.8-100000112.1
214S37.8Very low39.3Very low139 Ų139140.3 Ų140.397%0.97281%0.81SS**  trans-130.8146.3-169.4-520000113.7
215G39.2Very low39Very low61 Ų61142.7 Ų142.763%0.62981%0.81SS**  trans-163.6126.2166.400000107.4
216L42.7Very low38.9Very low169 Ų169145.1 Ų145.189%0.88581%0.808SS**  57.4122.574.3-58175.2000110.6
217N35.3Very low38.1Very low153 Ų153144.7 Ų144.782%0.81881%0.808SS**  cis-156.617432.7-145.9-2000113
218S36.1Very low37.9Very low98 Ų98142.6 Ų142.669%0.68580%0.797SS**  trans-138.3131.3-175.758.80000114.7
219Q46.1Very low37.9Very low175 Ų175147.2 Ų147.282%0.81880%0.802SS**  trans-147.7132165.8-70.8-153.7-7.400110
220F35.8Very low37.8Very low191 Ų191146.2 Ų146.284%0.83880%0.795SS**  56.3138.391.4-62.2-72.5000115.2
221G38.4Very low37.5Very low68 Ų68143.8 Ų143.870%0.70179%0.792SS**  cis-150.9166.4-4.500000109.6
222R36.6Very low37.5Very low228 Ų228136.9 Ų136.986%0.8679%0.791SS**  90.6142.650.7-149.3-168.6-177.5159.41.9112.9
223L38.8Very low37.5Very low144 Ų144129.8 Ų129.875%0.75479%0.786SS**  trans84.7157.3179.3-76.582000118.8
224Q40Very low37.5Very low132 Ų132130.4 Ų130.462%0.61779%0.793SS**  cis-178.9121.2-49.4164.1166.7-100113.8
225Q37.5Very low37.4Very low156 Ų156126.8 Ų126.873%0.72978%0.778SS**  trans58.2-174.3150.1-69.2170.7-23.900120.7
226H37.6Very low37.2Very low167 Ų167130.5 Ų130.577%0.77379%0.789SS**  trans78.5148.1179.6-49.3-82.7000117.2
227S33.3Very low37.2Very low122 Ų122127.9 Ų127.985%0.85378%0.779SS**  174.8131.3-55.4-90.40000109.4
228G34.6Very low37.3Very low64 Ų64128.3 Ų128.366%0.6678%0.781SS**  trans143.9133.3178.200000111.4
229L35.4Very low37.3Very low178 Ų178127.1 Ų127.193%0.93279%0.785SS**  70.3129.857.3-63.2166.9000112.1
230S37Very low37Very low97 Ų97122.4 Ų122.468%0.67878%0.784SS**  cis-169.51481.746.50000114.8
231S34.6Very low37.1Very low126 Ų126126 Ų12688%0.88179%0.791SS**  trans60.4136.9137.6-55.90000125.3
232G36Very low37.1Very low78 Ų78126.3 Ų126.380%0.80480%0.795SS**  trans108.8153.3151.900000117.3
233A39Very low37.5Very low106 Ų106121.3 Ų121.388%0.87680%0.795SS**  cis-166.9150.5-18.700000112.1
234G35.4Very low38Very low87 Ų87120.4 Ų120.490%0.89780%0.798SS**  trans78.9152.4164.400000118.5
235G36.3Very low37.9Very low63 Ų63120.4 Ų120.465%0.64981%0.812SS**  cis167.5153.2-14.600000115.7
236T35.5Very low37.7Very low139 Ų139117.4 Ų117.485%0.85381%0.814SS**  trans67.9151.9153.863.20000119.9
237V41.4Very low37.8Very low114 Ų114116 Ų11669%0.69182%0.818SS**  cis-163.6167.3-5.6-103.10000112.9
238N38.4Very low37.7Very low161 Ų161116 Ų11686%0.86181%0.812SS**  trans75.7145.9156.3-61.3-25.2000120.5
239G36.3Very low37.8Very low74 Ų74120.9 Ų120.976%0.76382%0.821SS**  cis172.2161-9.100000115.8
240G39.1Very low37.5Very low76 Ų76117.6 Ų117.678%0.78481%0.809SS**  trans88.6130172.300000115.8
241R37.9Very low37.4Very low265 Ų265117.9 Ų117.9100%181%0.811SS**  cis105.9123.218-79-164.8163.2-140.4-1.7115.6
242G37.7Very low37.5Very low75 Ų75118.6 Ų118.677%0.77381%0.81SS**  trans-179.8147.9171.600000109.9
243S45.5Very low37.4Very low124 Ų124119.8 Ų119.887%0.86781%0.806SS**  trans-123.5161-157.8-62.80000116
244P49.2Very low37.4Very low125 Ų125120.9 Ų120.981%0.81280%0.802SS**  trans-103.4-179.5-177.241.6-36.4000114.3
245S37.4Very low37.3Very low131 Ų131123.3 Ų123.392%0.91680%0.799SS**  trans-155.3165.2162.4-124.10000112
246A33.3Very low37.3Very low93 Ų93123.9 Ų123.977%0.76981%0.805SS**  trans-135.3169-170.200000113.3
247T39.7Very low37.5Very low139 Ų139123.2 Ų123.285%0.85381%0.807SS**  trans-149.9151.9163.8-67.30000110.6
248V31.3Very low37.2Very low120 Ų120123 Ų12373%0.72781%0.81SS**  trans-123140.6-174.8173.40000111
249I36.8Very low37.3Very low167 Ų167120.1 Ų120.186%0.85680%0.803SS**  trans-142.2152.5156.9-55.3-176.7000108.8
250T29.9Very low37.2Very low110 Ų110122.2 Ų122.268%0.67580%0.801SS**  trans-134.1163.6-163.9-48.90000112.4
251S34.9Very low37.2Very low103 Ų103125.8 Ų125.872%0.7280%0.802SS**  trans84.2155.8168.6-23.30000115.7
252T36.3Very low37.2Very low141 Ų141118.3 Ų118.387%0.86579%0.79SS**  cis-142.4-178.212.7-17.10000111.9
253S35Very low37.5Very low103 Ų103120.4 Ų120.472%0.7279%0.79SS**  trans-116.8161.2-167.452.10000116
254T37.4Very low37.2Very low129 Ų129120.8 Ų120.879%0.79179%0.787SS**  trans-179.5107.2154.616.30000108.8
255T33.8Very low36.6Very low137 Ų137122.1 Ų122.184%0.8478%0.783SS**  88.5122.67953.60000116.8
256G37.1Very low36.6Very low75 Ų75120.3 Ų120.377%0.77377%0.77SS**  trans102.6137.9166.700000115.4
257S38.8Very low36.9Very low126 Ų126120.2 Ų120.288%0.88177%0.77SS**  cis-156.1169-3.6-74.30000111.8
258S36.1Very low36.9Very low110 Ų110118.3 Ų118.377%0.76976%0.762SS**  trans-62.3173.9-179.6-48.20000114.6
259S40Very low37.3Very low100 Ų100117.6 Ų117.670%0.69976%0.762SS**  cis-162.6133.533.1-32.20000112.3
260T33.8Very low37.3Very low118 Ų118118.1 Ų118.172%0.72476%0.763SS**  81.6144.79664.30000119
261N40.3Very low37.3Very low150 Ų150117.6 Ų117.680%0.80276%0.763SS**  trans94134.1167.9-50.2-15.6000117.2
262S37.5Very low37.3Very low108 Ų108120.2 Ų120.276%0.75577%0.769SS**  cis-162.7149.3-27.1-95.50000109.8
263P43.8Very low37Very low119 Ų119119.7 Ų119.777%0.77377%0.771SS**  trans-116.7168.8-170.442.3-34.6000116.9
264T39Very low37.2Very low132 Ų132118.2 Ų118.281%0.8177%0.772SS**  trans178.5154.7164.711.50000107
265E36.3Very low36.8Very low153 Ų153119.6 Ų119.672%0.71577%0.774SS**  cis-134.8162-5.7-94.4-67.464.600107.5
266S38.4Very low36.8Very low93 Ų93119.1 Ų119.165%0.6577%0.771SS**  59.2133.663.8-46.10000115.1
267A39.2Very low36.6Very low92 Ų92121.3 Ų121.376%0.7677%0.77SS**  cis-168.6164.8-4.600000109.3
268S40.3Very low36.1Very low98 Ų98121 Ų12169%0.68577%0.768SS**  cis-171.7165.6-25.168.30000110.3
269S39.1Very low35.7Very low105 Ų105120 Ų12073%0.73477%0.766SS**  trans69.6163.2153-39.40000118.1
270M35.9Very low35.4Very low178 Ų178121.8 Ų121.888%0.87777%0.773SS**  cis-132.9171.9-0.9-79.5-167.782.300111.5
271C29.4Very low35.4Very low100 Ų100121.6 Ų121.668%0.67677%0.772SS**  trans-93.4163.5176610000114.2
272N36.1Very low34.9Very low157 Ų157123 Ų12384%0.8478%0.779SS**  -168.1150.5120.6-100.9-5.9000113.2
273S30.1Very low34.6Very low130 Ų130120.7 Ų120.791%0.90977%0.767SS**  trans-88.8149.2176.3-540000111.5
274G38Very low34.6Very low72 Ų72120 Ų12074%0.74276%0.761SS**  trans-165.5138.1172.900000110.8
275D30Very low34.8Very low158 Ų158122.7 Ų122.785%0.84576%0.761SS**  trans-85.3170.4-165.2-79.8-73.2000115.6
276T33Very low35.6Very low127 Ų127118.4 Ų118.478%0.77976%0.758SS**  trans77.7132162.755.80000120.8
277T32.7Very low36.7Very low122 Ų122119.4 Ų119.475%0.74875%0.752SS**  trans66.899.6152.246.50000121.4
278S28.7Very low38.1Very low119 Ų119119.2 Ų119.283%0.83274%0.739SS**  66.965.9116.9-51.60000120.8
279A28.9Very low40Very low89 Ų89118.6 Ų118.674%0.73673%0.727SS**  trans-160.549.7155.500000116T281A279-T281 PolarHBondContact O-N 2.92Å
280V32.8Very low42Very low138 Ų138113.6 Ų113.684%0.83669%0.692SS**  trans-77.4105.7168.6-171.30000109.1
281T33.1Very low44.1Very low114 Ų114106.4 Ų106.470%0.69966%0.655SS**  trans-70.8156.5-173.547.90000113.2A279 A283A279-T281 PolarHBondContact O-N 2.92Å; T281-A283 PolarHBondContact O-N 3.18Å
282N29.5Very low46.5Very low178 Ų178105.9 Ų105.995%0.95264%0.639SS**SBendtrans-67.588.3-175.6-79.1-50.1000113.1
283A31.6Very low48.7Very low61 Ų61100.8 Ų100.850%0.50462%0.615SS.*  trans-143.4153.7166.300000111.7T281 F285T281-A283 PolarHBondContact O-N 3.18Å; A283-F285 PolarHBondContact O-N 2.78Å
284T44.3Very low51.1Low105 Ų105103 Ų10364%0.64460%0.604SS**SBendtrans64.7-6.2162.8-390000118.8G286 Q287T284-G286 PolarHBondContact O-N 3.49Å; T284-Q287 PolarHBondContact O-N 2.78Å
285F43.1Very low53Low188 Ų188108.6 Ų108.683%0.82560%0.603SS**THydrogen-bonded Turntrans-63.99.9-174.4-109.4-84.9000118.3A283A283-F285 PolarHBondContact O-N 2.78Å
286G53.5Low55.3Low62 Ų62105 Ų10564%0.63959%0.589SS**THydrogen-bonded Turntrans-110.4-12.6-179.900000116.5T284T284-G286 PolarHBondContact O-N 3.49Å
287Q60.7Low57.1Low114 Ų11499.6 Ų99.653%0.53356%0.556SS.*THydrogen-bonded Turntrans-94-10.1-158.3-62.3-169.96.800116.8T284 K325T284-Q287 PolarHBondContact O-N 2.78Å; Q287-K325 VanDerWaalsContact O-CD 3.24Å; Q287-K325 WeakPolarHBondContact O-CD 3.2Å; Q287-K325 WeakPolarHBondContact O-CE 3.35Å; Q287-K325 PolarHBondContact O-NZ 3.26Å
288N69.3Low58.7Low89 Ų8998.9 Ų98.948%0.47654%0.543SS..THydrogen-bonded Turntrans-114.716.6-171-66.9-15.3000113.8S296 L297 K325N288-S296 WeakPolarHBondContact O-CA 3.37Å; N288-L297 PolarHBondContact O-N 3.39Å; N288-K325 PolarHBondContact OD1-NZ 3.26Å
289I80.4Confident59.9Low85 Ų8597.7 Ų97.744%0.43653%0.532SS..BIsolated β-bridgetrans-109129-179.6-63.7174.2000109.5F291 R294I289-F291 PolarHBondContact O-N 2.84Å; I289-F291 VanDerWaalsContact O-N 3.15Å; I289-R294 HydrophobicContact CG2-CB 4.29Å
290C81.5Confident61Low0 Ų098.3 Ų98.30%053%0.528CS..  trans-63.3117.9176.9176.30000110.2R292 C293 R294 R295 L297C290-R292 PolarHBondContact O-N 3.25Å; C290-C293 VanDerWaalsContact CB-SG 3.59Å; C290-C293 PolarHBondContact O-N 2.9Å; C290-C293 PolarHBondContact SG-SG 2.06Å; C290-R294 VanDerWaalsContact O-CA 3.31Å; C290-R294 WeakPolarHBondContact O-CA 3.3Å; C290-R294 PolarHBondContact O-N 3.08Å; C290-R295 WeakPolarHBondContact CB-O 2.97Å; C290-R295 PolarHBondContact N-O 3.05Å; C290-L297 HydrophobicContact CB-CD2 3.62Å; C290-L297 HydrophobicContact CB-CG 4Å
291F79.5Confident61.5Low26 Ų26101.5 Ų101.511%0.11453%0.534CS..THydrogen-bonded Turntrans-55.3-29.4-171.8178.7-103.3000114.9I289 V324 K325 L326 H347 R350I289-F291 PolarHBondContact O-N 2.84Å; I289-F291 VanDerWaalsContact O-N 3.15Å; F291-V324 HydrophobicContact CB-CB 4Å; F291-V324 HydrophobicContact CB-CG1 4.28Å; F291-V324 HydrophobicContact CD1-CG2 4.5Å; F291-V324 HydrophobicContact CD2-CB 4.09Å; F291-V324 HydrophobicContact CD2-CG1 3.45Å; F291-V324 VanDerWaalsContact CD2-CG1 3.45Å; F291-V324 HydrophobicContact CE2-CG1 3.88Å; F291-V324 HydrophobicContact CG-CB 4.01Å; F291-V324 HydrophobicContact CG-CG1 3.89Å; F291-V324 HydrophobicContact CG-CG2 4.31Å; F291-K325 PolarHBondContact N-O 2.87Å; F291-L326 HydrophobicContact CB-CD2 4.08Å; F291-L326 HydrophobicContact CB-CG 4.04Å; F291-H347 AromaticContact CE1-CE1 3.3Å; F291-H347 WeakPolarHBondContact CE1-CE1 3.39Å; F291-H347 AromaticContact CZ-CE1 3.25Å; F291-H347 WeakPolarHBondContact CZ-CE1 3.1Å; F291-H347 AromaticContact CZ-NE2 3.79Å; F291-R350 HydrophobicContact CE1-CB 3.9Å; F291-R350 HydrophobicContact CE1-CG 4.22Å; F291-R350 HydrophobicContact CE2-CG 4.02Å; F291-R350 HydrophobicContact CZ-CB 3.74Å; F291-R350 HydrophobicContact CZ-CG 3.54Å; F291-R350 PolarHBondContact O-NH1 3.29Å
292R79.4Confident62.2Low89 Ų8999.2 Ų99.234%0.33653%0.533SS..THydrogen-bonded Turntrans-87.5-60.1177.7-175.6-174.5-167.5135.2-2113.5C290 L326 C330 T332 C333C290-R292 PolarHBondContact O-N 3.25Å; R292-L326 HydrophobicContact CB-CD2 3.72Å; R292-C330 HydrophobicContact CB-CB 4.27Å; R292-C330 WeakPolarHBondContact CD-O 3.38Å; R292-C330 PolarHBondContact NH1-O 3.27Å; R292-T332 VanDerWaalsContact CZ-OG1 3.3Å; R292-T332 PolarHBondContact NH1-O 3.19Å; R292-T332 PolarHBondContact NH1-OG1 2.96Å; R292-T332 PolarHBondContact NH2-OG1 2.69Å; R292-C333 PolarHBondContact NH2-O 3.35Å
293C81.9Confident62.9Low50 Ų5095.2 Ų95.234%0.33852%0.516SS..THydrogen-bonded Turntrans-93.1-2.8-170.371.10000114.5C290 R295 C330C290-C293 VanDerWaalsContact CB-SG 3.59Å; C290-C293 PolarHBondContact O-N 2.9Å; C290-C293 PolarHBondContact SG-SG 2.06Å; C293-R295 PolarHBondContact O-N 3.09Å; C293-C330 VanDerWaalsContact SG-SG 3.69Å
294R80.6Confident63.2Low177 Ų17798.5 Ų98.567%0.66853%0.53SS*.  trans56.88-179.4-60.3-173.9-179.9-129.59.4116.5I289 C290I289-R294 HydrophobicContact CG2-CB 4.29Å; C290-R294 VanDerWaalsContact O-CA 3.31Å; C290-R294 WeakPolarHBondContact O-CA 3.3Å; C290-R294 PolarHBondContact O-N 3.08Å
295R79Confident63.1Low190 Ų190101.2 Ų101.272%0.71754%0.539SS*.SBendtrans-77.2152.3168.9-60.9-178.7-177.9173.7-1110.2C290 C293C290-R295 WeakPolarHBondContact CB-O 2.97Å; C290-R295 PolarHBondContact N-O 3.05Å; C293-R295 PolarHBondContact O-N 3.09Å
296S77.2Confident62.7Low81 Ų8198.8 Ų98.857%0.56655%0.546SS*.BIsolated β-bridgetrans-58.2138.7172.5-47.20000110.7N288 F298 H327N288-S296 WeakPolarHBondContact O-CA 3.37Å; S296-F298 VanDerWaalsContact CB-O 3.28Å; S296-F298 WeakPolarHBondContact CB-O 3.28Å; S296-H327 PolarHBondContact O-NE2 3.25Å
297L71.7Confident61.7Low15 Ų1598.7 Ų98.78%0.07954%0.544CS..SBendtrans-82.3-24.1179.7-70.3157.9000113N288 C290 V315 K325 L326N288-L297 PolarHBondContact O-N 3.39Å; C290-L297 HydrophobicContact CB-CD2 3.62Å; C290-L297 HydrophobicContact CB-CG 4Å; L297-V315 HydrophobicContact CB-CG2 4.12Å; L297-V315 HydrophobicContact CD2-CG1 4.21Å; L297-V315 HydrophobicContact CD2-CG2 4.19Å; L297-K325 HydrophobicContact CD1-CB 3.27Å; L297-K325 HydrophobicContact CD1-CD 4.17Å; L297-K325 HydrophobicContact CD1-CG 4.34Å; L297-L326 VanDerWaalsContact CD2-C 3.42Å
298F66.7Low60.5Low107 Ų10799 Ų9947%0.46956%0.559SS.*SBendtrans-126.8142.9170.8-68.2-91.5000107.5S296 V315S296-F298 VanDerWaalsContact CB-O 3.28Å; S296-F298 WeakPolarHBondContact CB-O 3.28Å; F298-V315 HydrophobicContact CE2-CG2 4.16Å; F298-V315 HydrophobicContact CZ-CG2 4.29Å
299P54.3Low59.3Low94 Ų94101.3 Ų101.361%0.6157%0.57SS**PPolyproline II helixtrans-63152.9158.131.5-34000109E301P299-E301 PolarHBondContact O-N 3.46Å
300P50.5Low57.6Low101 Ų101104.4 Ų104.466%0.65659%0.587SS**PPolyproline II helixtrans-62.2134.9168.428.5-33.4000109.5G302 T303P300-G302 PolarHBondContact O-N 2.89Å; P300-T303 PolarHBondContact O-N 3.35Å; P300-T303 PolarHBondContact O-OG1 3.12Å; P300-T303 VanDerWaalsContact O-OG1 3.05Å
301E43.6Very low56.1Low205 Ų205107.9 Ų107.996%0.95861%0.612SS**THydrogen-bonded Turntrans-59.3118.2174.9-63.9-178.3-160.500108.8P299P299-E301 PolarHBondContact O-N 3.46Å
302G47.4Very low55Low66 Ų66112.1 Ų112.168%0.6864%0.64SS**THydrogen-bonded Turntrans130.2-9.2-169.800000115.3P300 T304P300-G302 PolarHBondContact O-N 2.89Å; G302-T304 VanDerWaalsContact C-N 3.25Å; G302-T304 PolarHBondContact O-N 3.01Å
303T44.7Very low53.9Low95 Ų95114.3 Ų114.358%0.58366%0.659SS**  trans-84.264177.3-24.20000111.5P300 L305P300-T303 PolarHBondContact O-N 3.35Å; P300-T303 PolarHBondContact O-OG1 3.12Å; P300-T303 VanDerWaalsContact O-OG1 3.05Å; T303-L305 PolarHBondContact O-N 2.99Å
304T38.5Very low53.4Low130 Ų130116.2 Ų116.280%0.79867%0.665SS**  trans-77.973.9-175.954.80000112.8G302G302-T304 VanDerWaalsContact C-N 3.25Å; G302-T304 PolarHBondContact O-N 3.01Å
305L42.1Very low53.1Low162 Ų162109.6 Ų109.685%0.84864%0.644SS**  trans-127.9129.8167.5-72.7175.6000110.4T303T303-L305 PolarHBondContact O-N 2.99Å
306S34.8Very low52.8Low137 Ų137102.2 Ų102.296%0.95862%0.62SS**  trans-72.9137.5-168-170.10000113.1
307G32.5Very low52.7Low59 Ų59102 Ų10261%0.60862%0.616SS**  trans17691.217900000111.3I309G307-I309 WeakPolarHBondContact O-CG1 3.35Å; G307-I309 PolarHBondContact O-N 3.14Å
308S35.1Very low52.6Low121 Ų121101.8 Ų101.885%0.84662%0.615SS**  trans-49.2113.1-169.9-172.20000115.1
309I44.8Very low52.5Low137 Ų137103.1 Ų103.170%0.70363%0.632SS**  trans-154.8132.6162.814171.8000111.3G307 S311G307-I309 WeakPolarHBondContact O-CG1 3.35Å; G307-I309 PolarHBondContact O-N 3.14Å; I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 2.81Å; I309-S311 PolarHBondContact O-OG 2.81Å
310N43.2Very low52.9Low150 Ų150100.7 Ų100.780%0.80262%0.624SS**  trans-71.172.9-176.3-62.8-16.5000112.3T312N310-T312 PolarHBondContact O-N 2.86Å
311S50.4Low52.9Low73 Ų73100.7 Ų100.751%0.5163%0.633SS.*G310 helixtrans-90.40.5-156.1-60.20000116.4I309 N313I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 2.81Å; I309-S311 PolarHBondContact O-OG 2.81Å; S311-N313 PolarHBondContact O-N 2.82Å
312T55.9Low53.8Low116 Ų11695.8 Ų95.871%0.71261%0.612SS**G310 helixtrans-74.6-22.9-172.244.80000115.4N310N310-T312 PolarHBondContact O-N 2.86Å
313N57.4Low54.8Low135 Ų13595.2 Ų95.272%0.72261%0.606SS**G310 helixtrans-110.19.2-166.5-66.6-21.3000115.3S311 V315S311-N313 PolarHBondContact O-N 2.82Å; N313-V315 PolarHBondContact O-N 3.19Å
314N70.6Confident56.3Low89 Ų8991.7 Ų91.748%0.47659%0.585SS.*  trans-8914.5-166.8-74.6-37.3000116H327 V328N314-H327 CarbonylContact O-C 3.51Å; N314-H327 VanDerWaalsContact O-CA 3.3Å; N314-H327 WeakPolarHBondContact O-CA 3.33Å; N314-V328 PolarHBondContact O-N 2.72Å
315V73.9Confident58.3Low38 Ų3887.7 Ų87.723%0.2356%0.557CS.*EExtended strand (participates in β ladder)trans-117.5122.9-176.1179.10000112L297 F298 N313 K325 L326L297-V315 HydrophobicContact CB-CG2 4.12Å; L297-V315 HydrophobicContact CD2-CG1 4.21Å; L297-V315 HydrophobicContact CD2-CG2 4.19Å; F298-V315 HydrophobicContact CE2-CG2 4.16Å; F298-V315 HydrophobicContact CZ-CG2 4.29Å; N313-V315 PolarHBondContact O-N 3.19Å; V315-K325 HydrophobicContact CG1-CB 4.18Å; V315-L326 CarbonylContact C-O 3.48Å; V315-L326 WeakPolarHBondContact CA-O 3.19Å
316V74.4Confident60.2Low35 Ų3580 Ų8021%0.21252%0.516CS..EExtended strand (participates in β ladder)trans-93.7118.5168.7-179.60000108.9L318 K325 L326 V328 F331V316-L318 HydrophobicContact CG1-CD2 3.78Å; V316-L318 HydrophobicContact CG1-CG 4.43Å; V316-K325 WeakPolarHBondContact O-CA 3.45Å; V316-L326 PolarHBondContact N-O 2.86Å; V316-L326 PolarHBondContact O-N 3.06Å; V316-V328 HydrophobicContact CG2-CB 4.3Å; V316-V328 HydrophobicContact CG2-CG2 3.7Å; V316-F331 HydrophobicContact CG1-CG 4.47Å; V316-F331 HydrophobicContact CG2-CB 4.39Å
317T74.9Confident62.6Low76 Ų7675.5 Ų75.547%0.46648%0.48SS..EExtended strand (participates in β ladder)trans-95.1120.1168.6-59.80000108.8T319 K325T317-T319 PolarHBondContact O-N 2.76Å; T317-K325 HydrophobicContact CG2-CG 4.21Å
318L69.8Low64.9Low11 Ų1176.4 Ų76.46%0.05847%0.473CS..EExtended strand (participates in β ladder)trans-87.588.6177.4-63-178.2000110V316 G320 V324 L326 F331 Y345 L352V316-L318 HydrophobicContact CG1-CD2 3.78Å; V316-L318 HydrophobicContact CG1-CG 4.43Å; L318-G320 PolarHBondContact O-N 3Å; L318-V324 HydrophobicContact CB-CG2 4.1Å; L318-V324 HydrophobicContact CD1-CG2 4.08Å; L318-V324 HydrophobicContact CG-CG2 4.49Å; L318-V324 PolarHBondContact N-O 3.07Å; L318-L326 HydrophobicContact CD1-CD1 3.4Å; L318-L326 HydrophobicContact CG-CD1 3.9Å; L318-F331 HydrophobicContact CD1-CD2 4.36Å; L318-F331 HydrophobicContact CD1-CE2 4.02Å; L318-F331 HydrophobicContact CD2-CD2 4.24Å; L318-F331 HydrophobicContact CD2-CE2 3.68Å; L318-F331 HydrophobicContact CD2-CZ 4.03Å; L318-F331 HydrophobicContact CG-CE2 4.45Å; L318-Y345 HydrophobicContact CD1-CE2 4.05Å; L318-Y345 HydrophobicContact CD2-CE1 4.02Å; L318-L352 HydrophobicContact CD1-CD1 4.45Å
319T63.5Low67.2Low135 Ų13574.8 Ų74.883%0.82847%0.467SS*.  trans-63.3116.5173.3-50.30000110.1T317T317-T319 PolarHBondContact O-N 2.76Å
320G62.4Low69Low44 Ų4469 Ų6945%0.45444%0.439SS..SBendtrans156.2-172.4-173.200000110.6L318 L322 G323L318-G320 PolarHBondContact O-N 3Å; G320-L322 PolarHBondContact O-N 3.03Å; G320-G323 PolarHBondContact O-N 3.05Å
321A52.1Low71Confident101 Ų10162.7 Ų62.784%0.83540%0.404SS*.THydrogen-bonded Turntrans-58.90.5-169.800000117.3
322L61.8Low72.7Confident101 Ų10160.4 Ų60.453%0.52939%0.387SS..THydrogen-bonded Turntrans-119.9-19.9179.2-64.5171.5000113.8G320 V324 H347G320-L322 PolarHBondContact O-N 3.03Å; L322-V324 HydrophobicContact CB-CG1 4.13Å; L322-V324 HydrophobicContact CB-CG2 4.17Å; L322-V324 WeakPolarHBondContact O-CG1 3.26Å; L322-V324 PolarHBondContact O-N 3.44Å; L322-H347 HydrophobicContact CD1-CB 4.42Å; L322-H347 WeakPolarHBondContact CD1-CE1 3.25Å; L322-H347 VanDerWaalsContact CD1-ND1 3.33Å; L322-H347 WeakPolarHBondContact CD1-ND1 3.17Å
323G68.5Low74.1Confident54 Ų5454.9 Ų54.956%0.55735%0.354SS*.  trans54.924.6179.600000115.7G320G320-G323 PolarHBondContact O-N 3.05Å
324V75.5Confident75.2Confident22 Ų2254.2 Ų54.213%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-85.9139.1-169.2-71.20000112.9F291 L318 L322 L326F291-V324 HydrophobicContact CB-CB 4Å; F291-V324 HydrophobicContact CB-CG1 4.28Å; F291-V324 HydrophobicContact CD1-CG2 4.5Å; F291-V324 HydrophobicContact CD2-CB 4.09Å; F291-V324 HydrophobicContact CD2-CG1 3.45Å; F291-V324 VanDerWaalsContact CD2-CG1 3.45Å; F291-V324 HydrophobicContact CE2-CG1 3.88Å; F291-V324 HydrophobicContact CG-CB 4.01Å; F291-V324 HydrophobicContact CG-CG1 3.89Å; F291-V324 HydrophobicContact CG-CG2 4.31Å; L318-V324 HydrophobicContact CB-CG2 4.1Å; L318-V324 HydrophobicContact CD1-CG2 4.08Å; L318-V324 HydrophobicContact CG-CG2 4.49Å; L318-V324 PolarHBondContact N-O 3.07Å; L322-V324 HydrophobicContact CB-CG1 4.13Å; L322-V324 HydrophobicContact CB-CG2 4.17Å; L322-V324 WeakPolarHBondContact O-CG1 3.26Å; L322-V324 PolarHBondContact O-N 3.44Å; V324-L326 HydrophobicContact CG2-CD1 4.44Å
325K80.2Confident75.4Confident46 Ų4654.9 Ų54.920%0.234%0.338CS..EExtended strand (participates in β ladder)trans-100.8143.6172.8-54-176.6-158160.30111.3Q287 N288 F291 L297 V315 V316 T317Q287-K325 VanDerWaalsContact O-CD 3.24Å; Q287-K325 WeakPolarHBondContact O-CD 3.2Å; Q287-K325 WeakPolarHBondContact O-CE 3.35Å; Q287-K325 PolarHBondContact O-NZ 3.26Å; N288-K325 PolarHBondContact OD1-NZ 3.26Å; F291-K325 PolarHBondContact N-O 2.87Å; L297-K325 HydrophobicContact CD1-CB 3.27Å; L297-K325 HydrophobicContact CD1-CD 4.17Å; L297-K325 HydrophobicContact CD1-CG 4.34Å; V315-K325 HydrophobicContact CG1-CB 4.18Å; V316-K325 WeakPolarHBondContact O-CA 3.45Å; T317-K325 HydrophobicContact CG2-CG 4.21Å
326L83.1Confident75.8Confident0 Ų056.4 Ų56.40%035%0.349CS..EExtended strand (participates in β ladder)trans-139.8155.3-177.6-74.3132.5000110F291 R292 L297 V315 V316 L318 V324 C330 F331 L352F291-L326 HydrophobicContact CB-CD2 4.08Å; F291-L326 HydrophobicContact CB-CG 4.04Å; R292-L326 HydrophobicContact CB-CD2 3.72Å; L297-L326 VanDerWaalsContact CD2-C 3.42Å; V315-L326 CarbonylContact C-O 3.48Å; V315-L326 WeakPolarHBondContact CA-O 3.19Å; V316-L326 PolarHBondContact N-O 2.86Å; V316-L326 PolarHBondContact O-N 3.06Å; L318-L326 HydrophobicContact CD1-CD1 3.4Å; L318-L326 HydrophobicContact CG-CD1 3.9Å; V324-L326 HydrophobicContact CG2-CD1 4.44Å; L326-C330 HydrophobicContact CD2-CB 4.18Å; L326-F331 HydrophobicContact CD1-CD2 4.47Å; L326-L352 HydrophobicContact CD1-CD1 3.95Å; L326-L352 HydrophobicContact CD2-CD1 4.24Å
327H84.6Confident76.1Confident42 Ų4258 Ų5819%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-68.1150.3161.6-53117.1000110.2S296 N314 A329 C330 F331S296-H327 PolarHBondContact O-NE2 3.25Å; N314-H327 CarbonylContact O-C 3.51Å; N314-H327 VanDerWaalsContact O-CA 3.3Å; N314-H327 WeakPolarHBondContact O-CA 3.33Å; H327-A329 VanDerWaalsContact C-N 3.3Å; H327-A329 PolarHBondContact O-N 2.83Å; H327-C330 HydrophobicContact CB-CB 3.98Å; H327-C330 CarbonylContact O-C 3.49Å; H327-C330 WeakPolarHBondContact O-CA 3.37Å; H327-C330 WeakPolarHBondContact O-CB 3.41Å; H327-C330 PolarHBondContact O-N 2.94Å; H327-F331 PolarHBondContact O-N 3.32Å; H327-F331 VanDerWaalsContact O-N 3.14Å
328V81.4Confident76.5Confident78 Ų7856.4 Ų56.447%0.47336%0.361SS..G310 helixtrans-51.6-49.8170174.60000110.6N314 V316 C330 F331N314-V328 PolarHBondContact O-N 2.72Å; V316-V328 HydrophobicContact CG2-CB 4.3Å; V316-V328 HydrophobicContact CG2-CG2 3.7Å; V328-C330 PolarHBondContact O-N 3.34Å; V328-C330 VanDerWaalsContact O-N 3.12Å; V328-F331 PolarHBondContact O-N 2.86Å
329A81.9Confident77.2Confident87 Ų8761.3 Ų61.372%0.71939%0.393SS*.G310 helixtrans-65-13.5175.800000114.7H327H327-A329 VanDerWaalsContact C-N 3.3Å; H327-A329 PolarHBondContact O-N 2.83Å
330C83.8Confident78.2Confident17 Ų1755.6 Ų55.612%0.11536%0.357CS..G310 helixtrans-93.3-12.5173-730000113.1R292 C293 L326 H327 V328 T332R292-C330 HydrophobicContact CB-CB 4.27Å; R292-C330 WeakPolarHBondContact CD-O 3.38Å; R292-C330 PolarHBondContact NH1-O 3.27Å; C293-C330 VanDerWaalsContact SG-SG 3.69Å; L326-C330 HydrophobicContact CD2-CB 4.18Å; H327-C330 HydrophobicContact CB-CB 3.98Å; H327-C330 CarbonylContact O-C 3.49Å; H327-C330 WeakPolarHBondContact O-CA 3.37Å; H327-C330 WeakPolarHBondContact O-CB 3.41Å; H327-C330 PolarHBondContact O-N 2.94Å; V328-C330 PolarHBondContact O-N 3.34Å; V328-C330 VanDerWaalsContact O-N 3.12Å; C330-T332 PolarHBondContact O-N 2.8Å
331F85.8Confident78.9Confident16 Ų1660.7 Ų60.77%0.0737%0.367CS..  trans-84.156.4178.3-170.7-120.2000111.6V316 L318 L326 H327 V328 L340 Y345 L352V316-F331 HydrophobicContact CG1-CG 4.47Å; V316-F331 HydrophobicContact CG2-CB 4.39Å; L318-F331 HydrophobicContact CD1-CD2 4.36Å; L318-F331 HydrophobicContact CD1-CE2 4.02Å; L318-F331 HydrophobicContact CD2-CD2 4.24Å; L318-F331 HydrophobicContact CD2-CE2 3.68Å; L318-F331 HydrophobicContact CD2-CZ 4.03Å; L318-F331 HydrophobicContact CG-CE2 4.45Å; L326-F331 HydrophobicContact CD1-CD2 4.47Å; H327-F331 PolarHBondContact O-N 3.32Å; H327-F331 VanDerWaalsContact O-N 3.14Å; V328-F331 PolarHBondContact O-N 2.86Å; F331-L340 HydrophobicContact CD1-CB 3.95Å; F331-L340 WeakPolarHBondContact CD1-O 3.39Å; F331-L340 HydrophobicContact CD2-CB 4.29Å; F331-L340 HydrophobicContact CD2-CD1 4.28Å; F331-L340 HydrophobicContact CE1-CB 3.62Å; F331-L340 WeakPolarHBondContact CE1-O 3.32Å; F331-L340 HydrophobicContact CE2-CB 3.96Å; F331-L340 HydrophobicContact CE2-CD1 4.12Å; F331-L340 HydrophobicContact CG-CB 4.28Å; F331-L340 HydrophobicContact CZ-CB 3.62Å; F331-L340 PolarHBondContact O-N 3Å; F331-Y345 AromaticContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CE1 4.28Å; F331-Y345 HydrophobicContact CE2-CG 4.17Å; F331-Y345 AromaticContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CE1 4.14Å; F331-Y345 HydrophobicContact CZ-CG 4.22Å; F331-L352 HydrophobicContact CD2-CD1 3.8Å; F331-L352 HydrophobicContact CE2-CD1 4.15Å
332T86Confident79.7Confident25 Ų2559.8 Ų59.815%0.15335%0.354CS..BIsolated β-bridgetrans-116.4168.2176.564.80000111.2R292 C330 A337 A338 L340R292-T332 VanDerWaalsContact CZ-OG1 3.3Å; R292-T332 PolarHBondContact NH1-O 3.19Å; R292-T332 PolarHBondContact NH1-OG1 2.96Å; R292-T332 PolarHBondContact NH2-OG1 2.69Å; C330-T332 PolarHBondContact O-N 2.8Å; T332-A337 VanDerWaalsContact CB-O 3.24Å; T332-A337 WeakPolarHBondContact CB-O 3.48Å; T332-A337 WeakPolarHBondContact CG2-O 3.46Å; T332-A338 CarbonylContact C-O 3.57Å; T332-A338 WeakPolarHBondContact CA-O 3.32Å; T332-A338 WeakPolarHBondContact CB-O 3.29Å; T332-L340 VanDerWaalsContact O-CD1 3.31Å; T332-L340 WeakPolarHBondContact O-CD1 3.17Å
333C84.3Confident80Confident0 Ų061.7 Ų61.70%037%0.365CS..  trans-65.6148.9171.4-171.40000111.6R292 R335 C336 A338 L340 L352 C354 C357R292-C333 PolarHBondContact NH2-O 3.35Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact SG-N 3.06Å; C333-C336 WeakPolarHBondContact CB-SG 3.33Å; C333-A338 PolarHBondContact N-O 2.85Å; C333-L340 HydrophobicContact CB-CD2 4.21Å; C333-L352 CarbonylContact C-O 3.54Å; C333-C354 HydrophobicContact CB-CB 4.09Å; C333-C354 PolarHBondContact SG-N 3.5Å; C333-C357 PolarHBondContact SG-SG 3.5Å
334Y81.3Confident79.9Confident121 Ų12161.1 Ų61.148%0.47536%0.356SS..SBendtrans-70.4-25.1169-177.9-102.6000113.4R351 L352Y334-R351 HydrophobicContact CD1-CB 4.42Å; Y334-R351 HydrophobicContact CD1-CG 4.1Å; Y334-R351 HydrophobicContact CD2-CG 4Å; Y334-R351 HydrophobicContact CE1-CG 4.44Å; Y334-R351 VanDerWaalsContact CE1-CZ 3.48Å; Y334-R351 HydrophobicContact CE2-CG 4.37Å; Y334-R351 HydrophobicContact CG-CB 4.06Å; Y334-R351 HydrophobicContact CG-CG 3.87Å; Y334-R351 PolarHBondContact OH-NH2 2.9Å; Y334-L352 PolarHBondContact N-O 3.43Å
335R74Confident80Confident104 Ų10463.4 Ų63.439%0.39236%0.362SS..SBendtrans-96.4-63.8-176.5-70.6-174.5175.4175-0.8114C333 L353 C357 G361C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact SG-N 3.06Å; R335-L353 HydrophobicContact CG-CD2 4.14Å; R335-C357 PolarHBondContact NH1-O 3Å; R335-G361 PolarHBondContact NH1-O 2.99Å; R335-G361 PolarHBondContact NH2-O 3.06Å
336C81.6Confident79.6Confident69 Ų6966 Ų6647%0.46637%0.372SS..SBendtrans-89.51.7-174.964.20000114.3C333 A338 C357C333-C336 WeakPolarHBondContact CB-SG 3.33Å; C336-A338 PolarHBondContact O-N 2.71Å; C336-C357 PolarHBondContact SG-SG 3.44Å
337A82.3Confident79.2Confident69 Ų6968.8 Ų68.857%0.5738%0.384SS*.  trans54.4-0.1-17400000117T332T332-A337 VanDerWaalsContact CB-O 3.24Å; T332-A337 WeakPolarHBondContact CB-O 3.48Å; T332-A337 WeakPolarHBondContact CG2-O 3.46Å
338A83.3Confident78.3Confident43 Ų4369.7 Ų69.736%0.35539%0.391SS..PPolyproline II helixtrans-63.6146.6176.900000112T332 C333 C336T332-A338 CarbonylContact C-O 3.57Å; T332-A338 WeakPolarHBondContact CA-O 3.32Å; T332-A338 WeakPolarHBondContact CB-O 3.29Å; C333-A338 PolarHBondContact N-O 2.85Å; C336-A338 PolarHBondContact O-N 2.71Å
339P84.3Confident77.5Confident113 Ų11374 Ų7473%0.73441%0.41SS*.BIsolated β-bridgetrans-58.1139.2173.625.9-34.4000111.1
340L83Confident76.7Confident15 Ų1576 Ų768%0.07940%0.399CS..PPolyproline II helixtrans-86.3155.8174.4-65.6169.3000109.8F331 T332 C333 L352 C354F331-L340 HydrophobicContact CD1-CB 3.95Å; F331-L340 WeakPolarHBondContact CD1-O 3.39Å; F331-L340 HydrophobicContact CD2-CB 4.29Å; F331-L340 HydrophobicContact CD2-CD1 4.28Å; F331-L340 HydrophobicContact CE1-CB 3.62Å; F331-L340 WeakPolarHBondContact CE1-O 3.32Å; F331-L340 HydrophobicContact CE2-CB 3.96Å; F331-L340 HydrophobicContact CE2-CD1 4.12Å; F331-L340 HydrophobicContact CG-CB 4.28Å; F331-L340 HydrophobicContact CZ-CB 3.62Å; F331-L340 PolarHBondContact O-N 3Å; T332-L340 VanDerWaalsContact O-CD1 3.31Å; T332-L340 WeakPolarHBondContact O-CD1 3.17Å; C333-L340 HydrophobicContact CB-CD2 4.21Å; L340-L352 HydrophobicContact CD1-CB 3.42Å; L340-L352 VanDerWaalsContact CD1-CB 3.42Å; L340-L352 HydrophobicContact CD1-CD1 4.2Å; L340-L352 HydrophobicContact CD1-CG 4.43Å; L340-C354 HydrophobicContact CD2-CB 3.55Å
341K77.8Confident76.2Confident152 Ų15281.2 Ų81.266%0.66142%0.416SS*.BIsolated β-bridgetrans-92.8142.6168.7-62.6-171.1176.6-169.80108.7D343 A344K341-D343 PolarHBondContact O-N 3.15Å; K341-A344 PolarHBondContact O-N 3.45Å
342S69.1Low75.9Confident81 Ų8180.7 Ų80.757%0.56641%0.414SS*.THydrogen-bonded Turntrans-48.6-39.3173.734.20000112.2Y345S342-Y345 WeakPolarHBondContact O-CE1 3.24Å
343D68Low75.5Confident141 Ų14179.8 Ų79.875%0.75441%0.408SS*.THydrogen-bonded Turntrans-89.7-10.4-165.9-16.6-53.6000112.8K341K341-D343 PolarHBondContact O-N 3.15Å
344A66.7Low75.3Confident43 Ų4380.7 Ų80.736%0.35542%0.415SS..BIsolated β-bridgetrans-15486.4-173.500000112.5K341 P355K341-A344 PolarHBondContact O-N 3.45Å; A344-P355 HydrophobicContact CB-CG 3.69Å; A344-P355 VanDerWaalsContact O-CD 3.24Å; A344-P355 WeakPolarHBondContact O-CD 3.35Å; A344-P355 VanDerWaalsContact O-CG 3.22Å; A344-P355 WeakPolarHBondContact O-CG 3.24Å
345Y77.2Confident75.1Confident69 Ų6977.2 Ų77.227%0.27141%0.407SS..  trans-142.3158.216867-85.9000110.2L318 F331 S342 L352L318-Y345 HydrophobicContact CD1-CE2 4.05Å; L318-Y345 HydrophobicContact CD2-CE1 4.02Å; F331-Y345 AromaticContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CE1 4.28Å; F331-Y345 HydrophobicContact CE2-CG 4.17Å; F331-Y345 AromaticContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CE1 4.14Å; F331-Y345 HydrophobicContact CZ-CG 4.22Å; S342-Y345 WeakPolarHBondContact O-CE1 3.24Å; Y345-L352 HydrophobicContact CD2-CD2 4.01Å; Y345-L352 HydrophobicContact CE2-CD2 4.19Å
346Y72.1Confident75.1Confident102 Ų10273.9 Ų73.940%0.440%0.402SS..EExtended strand (participates in β ladder)trans-114148.2174-68.2-106.1000109.9L352 L353 V358Y346-L352 CarbonylContact O-C 3.5Å; Y346-L352 WeakPolarHBondContact O-CA 3.3Å; Y346-L353 PolarHBondContact N-O 2.96Å; Y346-L353 PolarHBondContact O-N 2.95Å; Y346-V358 HydrophobicContact CD1-CG1 4.22Å; Y346-V358 HydrophobicContact CD1-CG2 4.46Å; Y346-V358 HydrophobicContact CD2-CB 4.12Å; Y346-V358 HydrophobicContact CD2-CG1 4.22Å; Y346-V358 HydrophobicContact CD2-CG2 3.6Å; Y346-V358 HydrophobicContact CE1-CG1 4.2Å; Y346-V358 HydrophobicContact CE2-CB 4.29Å; Y346-V358 HydrophobicContact CE2-CG1 4.19Å; Y346-V358 HydrophobicContact CE2-CG2 4.27Å; Y346-V358 HydrophobicContact CG-CB 4.44Å; Y346-V358 HydrophobicContact CG-CG1 4.23Å; Y346-V358 HydrophobicContact CG-CG2 3.71Å
347H73.6Confident74.7Confident57 Ų5770.8 Ų70.826%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-122.6113-177.8-177.3115.7000111F291 L322 L352F291-H347 AromaticContact CE1-CE1 3.3Å; F291-H347 WeakPolarHBondContact CE1-CE1 3.39Å; F291-H347 AromaticContact CZ-CE1 3.25Å; F291-H347 WeakPolarHBondContact CZ-CE1 3.1Å; F291-H347 AromaticContact CZ-NE2 3.79Å; L322-H347 HydrophobicContact CD1-CB 4.42Å; L322-H347 WeakPolarHBondContact CD1-CE1 3.25Å; L322-H347 VanDerWaalsContact CD1-ND1 3.33Å; L322-H347 WeakPolarHBondContact CD1-ND1 3.17Å; H347-L352 HydrophobicContact CB-CD2 4.33Å
348N65.7Low74.2Confident62 Ų6268.5 Ų68.533%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-126.8116.3174.1-69.3-9.6000109.3R350 R351 L353 A362N348-R350 PolarHBondContact O-N 2.79Å; N348-R351 PolarHBondContact N-O 3.44Å; N348-R351 WeakPolarHBondContact O-CA 3.22Å; N348-R351 VanDerWaalsContact O-CB 3.3Å; N348-R351 WeakPolarHBondContact O-CB 2.96Å; N348-R351 PolarHBondContact O-N 2.98Å; N348-L353 HydrophobicContact CB-CD1 4.1Å; N348-A362 PolarHBondContact ND2-O 2.91Å
349L64.9Low73.5Confident168 Ų16874.7 Ų74.788%0.8837%0.374SS*.THydrogen-bonded Turntrans46.856.9170.1-60.1173.7000114.4R351L349-R351 PolarHBondContact O-N 3.15Å
350R64.9Low72.6Confident128 Ų12873.8 Ų73.848%0.48336%0.363SS..THydrogen-bonded Turntrans662.3-173.8-51.9-167.3159.6-109.6-0.9117.2F291 N348F291-R350 HydrophobicContact CE1-CB 3.9Å; F291-R350 HydrophobicContact CE1-CG 4.22Å; F291-R350 HydrophobicContact CE2-CG 4.02Å; F291-R350 HydrophobicContact CZ-CB 3.74Å; F291-R350 HydrophobicContact CZ-CG 3.54Å; F291-R350 PolarHBondContact O-NH1 3.29Å; N348-R350 PolarHBondContact O-N 2.79Å
351R74.5Confident71.5Confident127 Ų12773.1 Ų73.148%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-98.5125.8174.6-60.9173.8172.1179.8-4109.9Y334 N348 L349Y334-R351 HydrophobicContact CD1-CB 4.42Å; Y334-R351 HydrophobicContact CD1-CG 4.1Å; Y334-R351 HydrophobicContact CD2-CG 4Å; Y334-R351 HydrophobicContact CE1-CG 4.44Å; Y334-R351 VanDerWaalsContact CE1-CZ 3.48Å; Y334-R351 HydrophobicContact CE2-CG 4.37Å; Y334-R351 HydrophobicContact CG-CB 4.06Å; Y334-R351 HydrophobicContact CG-CG 3.87Å; Y334-R351 PolarHBondContact OH-NH2 2.9Å; N348-R351 PolarHBondContact N-O 3.44Å; N348-R351 WeakPolarHBondContact O-CA 3.22Å; N348-R351 VanDerWaalsContact O-CB 3.3Å; N348-R351 WeakPolarHBondContact O-CB 2.96Å; N348-R351 PolarHBondContact O-N 2.98Å; L349-R351 PolarHBondContact O-N 3.15Å
352L79.3Confident70.5Confident5 Ų566.3 Ų66.33%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-92.4134.6171.4-55.3176.9000109.4L318 L326 F331 C333 Y334 L340 Y345 Y346 H347L318-L352 HydrophobicContact CD1-CD1 4.45Å; L326-L352 HydrophobicContact CD1-CD1 3.95Å; L326-L352 HydrophobicContact CD2-CD1 4.24Å; F331-L352 HydrophobicContact CD2-CD1 3.8Å; F331-L352 HydrophobicContact CE2-CD1 4.15Å; C333-L352 CarbonylContact C-O 3.54Å; Y334-L352 PolarHBondContact N-O 3.43Å; L340-L352 HydrophobicContact CD1-CB 3.42Å; L340-L352 VanDerWaalsContact CD1-CB 3.42Å; L340-L352 HydrophobicContact CD1-CD1 4.2Å; L340-L352 HydrophobicContact CD1-CG 4.43Å; Y345-L352 HydrophobicContact CD2-CD2 4.01Å; Y345-L352 HydrophobicContact CE2-CD2 4.19Å; Y346-L352 CarbonylContact O-C 3.5Å; Y346-L352 WeakPolarHBondContact O-CA 3.3Å; H347-L352 HydrophobicContact CB-CD2 4.33Å
353L77.8Confident70.2Confident7 Ų767.6 Ų67.64%0.03734%0.336CS..EExtended strand (participates in β ladder)trans-133.2135.2-167.2-69.1157.8000110.7R335 Y346 N348 V358 A362R335-L353 HydrophobicContact CG-CD2 4.14Å; Y346-L353 PolarHBondContact N-O 2.96Å; Y346-L353 PolarHBondContact O-N 2.95Å; N348-L353 HydrophobicContact CB-CD1 4.1Å; L353-V358 HydrophobicContact CB-CG2 3.76Å; L353-A362 HydrophobicContact CB-CB 4.3Å; L353-A362 HydrophobicContact CD1-CB 3.68Å; L353-A362 HydrophobicContact CD2-CB 3.74Å; L353-A362 HydrophobicContact CG-CB 4.09Å
354C80.9Confident70.2Confident19 Ų1964.1 Ų64.113%0.12832%0.315CS..  trans-79.5153.1-176.290.30000112.4C333 L340 A356 C357 V358C333-C354 HydrophobicContact CB-CB 4.09Å; C333-C354 PolarHBondContact SG-N 3.5Å; L340-C354 HydrophobicContact CD2-CB 3.55Å; C354-A356 VanDerWaalsContact C-N 3.27Å; C354-A356 PolarHBondContact O-N 3.22Å; C354-C357 HydrophobicContact CB-CB 4.04Å; C354-C357 WeakPolarHBondContact CB-SG 3.31Å; C354-C357 CarbonylContact O-C 3.28Å; C354-C357 WeakPolarHBondContact O-CA 3.32Å; C354-C357 VanDerWaalsContact O-CB 3.25Å; C354-C357 WeakPolarHBondContact O-CB 3.41Å; C354-C357 PolarHBondContact O-N 2.84Å; C354-C357 VanDerWaalsContact O-N 3.09Å; C354-C357 WeakPolarHBondContact SG-CB 3.46Å; C354-C357 PolarHBondContact SG-N 3.23Å; C354-C357 CovalentContact SG-SG 2.06Å; C354-C357 PolarHBondContact SG-SG 2.84Å; C354-V358 WeakPolarHBondContact O-CG2 3.37Å; C354-V358 PolarHBondContact O-N 2.98Å
355P75.1Confident70.7Confident47 Ų4764.6 Ų64.631%0.30532%0.319SS..Hα-helixtrans-62-29.1-179.4-2534.7000114.5A344 R359A344-P355 HydrophobicContact CB-CG 3.69Å; A344-P355 VanDerWaalsContact O-CD 3.24Å; A344-P355 WeakPolarHBondContact O-CD 3.35Å; A344-P355 VanDerWaalsContact O-CG 3.22Å; A344-P355 WeakPolarHBondContact O-CG 3.24Å; P355-R359 VanDerWaalsContact O-CG 3.28Å; P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-N 3.05Å; P355-R359 PolarHBondContact O-NE 2.99Å
356A75.4Confident71.1Confident35 Ų3561.3 Ų61.329%0.28931%0.306SS..Hα-helixtrans-62.7-65.8165.400000109.2C354 V358 R359 D360C354-A356 VanDerWaalsContact C-N 3.27Å; C354-A356 PolarHBondContact O-N 3.22Å; A356-V358 CarbonylContact O-C 3.44Å; A356-V358 PolarHBondContact O-N 3.5Å; A356-R359 CarbonylContact O-C 3.58Å; A356-R359 WeakPolarHBondContact O-CA 3.25Å; A356-R359 WeakPolarHBondContact O-CB 3.3Å; A356-R359 PolarHBondContact O-N 3.4Å; A356-D360 PolarHBondContact O-N 2.89Å; A356-D360 VanDerWaalsContact O-OD1 3.1Å
357C73.8Confident71.7Confident4 Ų458 Ų583%0.02730%0.297CS..Hα-helixtrans-42.9-30.7179-460000116.5C333 R335 C336 C354 D360 G361 A362C333-C357 PolarHBondContact SG-SG 3.5Å; R335-C357 PolarHBondContact NH1-O 3Å; C336-C357 PolarHBondContact SG-SG 3.44Å; C354-C357 HydrophobicContact CB-CB 4.04Å; C354-C357 WeakPolarHBondContact CB-SG 3.31Å; C354-C357 CarbonylContact O-C 3.28Å; C354-C357 WeakPolarHBondContact O-CA 3.32Å; C354-C357 VanDerWaalsContact O-CB 3.25Å; C354-C357 WeakPolarHBondContact O-CB 3.41Å; C354-C357 PolarHBondContact O-N 2.84Å; C354-C357 VanDerWaalsContact O-N 3.09Å; C354-C357 WeakPolarHBondContact SG-CB 3.46Å; C354-C357 PolarHBondContact SG-N 3.23Å; C354-C357 CovalentContact SG-SG 2.06Å; C354-C357 PolarHBondContact SG-SG 2.84Å; C357-D360 VanDerWaalsContact CA-OD2 3.26Å; C357-D360 WeakPolarHBondContact CA-OD2 3.19Å; C357-D360 PolarHBondContact N-OD2 2.86Å; C357-D360 CarbonylContact O-C 3.58Å; C357-G361 PolarHBondContact O-N 3.48Å; C357-A362 VanDerWaalsContact O-CB 3.3Å; C357-A362 WeakPolarHBondContact O-CB 3.3Å; C357-A362 PolarHBondContact O-N 2.77Å
358V71.3Confident72.3Confident21 Ų2158.6 Ų58.613%0.12730%0.303CS..Hα-helixtrans-80.4-44.3175.8173.40000112Y346 L353 C354 A356 D360 G361 A362 V363Y346-V358 HydrophobicContact CD1-CG1 4.22Å; Y346-V358 HydrophobicContact CD1-CG2 4.46Å; Y346-V358 HydrophobicContact CD2-CB 4.12Å; Y346-V358 HydrophobicContact CD2-CG1 4.22Å; Y346-V358 HydrophobicContact CD2-CG2 3.6Å; Y346-V358 HydrophobicContact CE1-CG1 4.2Å; Y346-V358 HydrophobicContact CE2-CB 4.29Å; Y346-V358 HydrophobicContact CE2-CG1 4.19Å; Y346-V358 HydrophobicContact CE2-CG2 4.27Å; Y346-V358 HydrophobicContact CG-CB 4.44Å; Y346-V358 HydrophobicContact CG-CG1 4.23Å; Y346-V358 HydrophobicContact CG-CG2 3.71Å; L353-V358 HydrophobicContact CB-CG2 3.76Å; C354-V358 WeakPolarHBondContact O-CG2 3.37Å; C354-V358 PolarHBondContact O-N 2.98Å; A356-V358 CarbonylContact O-C 3.44Å; A356-V358 PolarHBondContact O-N 3.5Å; V358-D360 PolarHBondContact O-N 2.85Å; V358-G361 WeakPolarHBondContact O-CA 3.49Å; V358-G361 PolarHBondContact O-N 3.07Å; V358-A362 HydrophobicContact CB-CB 4.42Å; V358-A362 HydrophobicContact CG2-CB 3.92Å; V358-A362 PolarHBondContact O-N 3.45Å; V358-V363 HydrophobicContact CG1-CG2 4.37Å
359R68.3Low73.3Confident172 Ų17257.7 Ų57.765%0.64930%0.301SS*.Hα-helixtrans-61.3-35.7166.5-63.4174.5-57.1170.913.8111.2P355 A356 G361 G374P355-R359 VanDerWaalsContact O-CG 3.28Å; P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-N 3.05Å; P355-R359 PolarHBondContact O-NE 2.99Å; A356-R359 CarbonylContact O-C 3.58Å; A356-R359 WeakPolarHBondContact O-CA 3.25Å; A356-R359 WeakPolarHBondContact O-CB 3.3Å; A356-R359 PolarHBondContact O-N 3.4Å; R359-G361 PolarHBondContact O-N 3.18Å; R359-G374 CarbonylContact O-C 3.55Å; R359-G374 VanDerWaalsContact O-C 3.28Å; R359-G374 WeakPolarHBondContact O-CA 3.43Å
360D64.3Low74.2Confident94 Ų9457 Ų5750%0.50329%0.293SS..THydrogen-bonded Turntrans-75.58.5171.3-36.6-29.2000112.2A356 C357 V358A356-D360 PolarHBondContact O-N 2.89Å; A356-D360 VanDerWaalsContact O-OD1 3.1Å; C357-D360 VanDerWaalsContact CA-OD2 3.26Å; C357-D360 WeakPolarHBondContact CA-OD2 3.19Å; C357-D360 PolarHBondContact N-OD2 2.86Å; C357-D360 CarbonylContact O-C 3.58Å; V358-D360 PolarHBondContact O-N 2.85Å
361G60.2Low74.5Confident2 Ų259.5 Ų59.52%0.02130%0.302CS..THydrogen-bonded Turntrans100.949.1163.800000116.7R335 C357 V358 R359 V363 P372 I373R335-G361 PolarHBondContact NH1-O 2.99Å; R335-G361 PolarHBondContact NH2-O 3.06Å; C357-G361 PolarHBondContact O-N 3.48Å; V358-G361 WeakPolarHBondContact O-CA 3.49Å; V358-G361 PolarHBondContact O-N 3.07Å; R359-G361 PolarHBondContact O-N 3.18Å; G361-V363 VanDerWaalsContact C-N 3.32Å; G361-P372 WeakPolarHBondContact O-CB 3.28Å; G361-I373 WeakPolarHBondContact CA-O 3.48Å
362A56.5Low74.4Confident8 Ų855.8 Ų55.87%0.06630%0.295CS..SBendtrans-90.413.8179.800000116.1N348 L353 C357 V358N348-A362 PolarHBondContact ND2-O 2.91Å; L353-A362 HydrophobicContact CB-CB 4.3Å; L353-A362 HydrophobicContact CD1-CB 3.68Å; L353-A362 HydrophobicContact CD2-CB 3.74Å; L353-A362 HydrophobicContact CG-CB 4.09Å; C357-A362 VanDerWaalsContact O-CB 3.3Å; C357-A362 WeakPolarHBondContact O-CB 3.3Å; C357-A362 PolarHBondContact O-N 2.77Å; V358-A362 HydrophobicContact CB-CB 4.42Å; V358-A362 HydrophobicContact CG2-CB 3.92Å; V358-A362 PolarHBondContact O-N 3.45Å
363V64Low74Confident108 Ų10856.1 Ų56.166%0.65530%0.296SS*.SBendtrans-102.3-49.5177.4-1690000111.1V358 G361V358-V363 HydrophobicContact CG1-CG2 4.37Å; G361-V363 VanDerWaalsContact C-N 3.32Å
364E67.9Low73.2Confident69 Ų6957.2 Ų57.232%0.32231%0.309SS..  trans-124.7149.6-178.2-64.7-175.8145.600112.5I373 H379 P384E364-I373 PolarHBondContact O-N 3.46Å; E364-H379 VanDerWaalsContact CD-NE2 3.34Å; E364-H379 IonicContact OE1-CD2 3.9Å; E364-H379 IonicContact OE1-CE1 3.92Å; E364-H379 IonicContact OE1-NE2 2.96Å; E364-H379 PolarHBondContact OE1-NE2 3.2Å; E364-H379 IonicContact OE2-CE1 3.5Å; E364-H379 PolarHBondContact OE2-CE1 3.45Å; E364-H379 IonicContact OE2-NE2 2.95Å; E364-H379 PolarHBondContact OE2-NE2 2.91Å; E364-P384 HydrophobicContact CB-CB 4.16Å; E364-P384 HydrophobicContact CB-CG 4.11Å; E364-P384 HydrophobicContact CG-CG 4.47Å; E364-P384 WeakPolarHBondContact OE2-CB 3.46Å
365A77.4Confident72.5Confident53 Ų5363.9 Ų63.944%0.43834%0.344SS..BIsolated β-bridgetrans-117.2133.2176.400000109.9S367A365-S367 PolarHBondContact O-N 3.39Å
366C85.2Confident72.4Confident0 Ų071 Ų710%037%0.365CS..  trans-62.7127.2-177.5174.30000111.8N368 C369 H370 R371 I373 P384 H386C366-N368 PolarHBondContact O-N 3.44Å; C366-C369 PolarHBondContact O-N 3.03Å; C366-H370 WeakPolarHBondContact O-CA 3.31Å; C366-H370 PolarHBondContact O-N 3.36Å; C366-R371 WeakPolarHBondContact CB-O 3.36Å; C366-R371 PolarHBondContact N-O 3.23Å; C366-I373 HydrophobicContact CB-CD1 3.9Å; C366-I373 HydrophobicContact CB-CG1 3.76Å; C366-P384 WeakPolarHBondContact CA-O 3.32Å; C366-H386 WeakPolarHBondContact CB-CE1 3.33Å; C366-H386 WeakPolarHBondContact CB-ND1 3.13Å; C366-H386 PolarHBondContact SG-N 2.78Å; C366-H386 PolarHBondContact SG-ND1 3.21Å; C366-H386 VanDerWaalsContact SG-ND1 3.36Å
367S85.6Confident72.6Confident31 Ų3172 Ų7222%0.21737%0.367CS..THydrogen-bonded Turntrans-71.7-15.2-173.6-510000113.3A365 H370 P384A365-S367 PolarHBondContact O-N 3.39Å; S367-H370 PolarHBondContact O-CE1 2.73Å; S367-H370 VanDerWaalsContact O-CE1 3.32Å; S367-P384 PolarHBondContact N-O 2.87Å; S367-P384 PolarHBondContact OG-O 3.37Å
368N86.1Confident73.1Confident70 Ų7073.5 Ų73.537%0.37438%0.376SS..THydrogen-bonded Turntrans-91.9-42.4176.8-172.112000113C366 Y385 C389C366-N368 PolarHBondContact O-N 3.44Å; N368-Y385 HydrophobicContact CB-CD1 3.84Å; N368-Y385 HydrophobicContact CB-CE1 3.99Å; N368-C389 HydrophobicContact CB-CB 4.23Å; N368-C389 PolarHBondContact ND2-O 3.18Å
369C86.5Confident73.7Confident44 Ų4477.6 Ų77.630%0.29739%0.394SS..THydrogen-bonded Turntrans-114.7-0.7-174.573.40000114.9C366 R371 H386C366-C369 PolarHBondContact O-N 3.03Å; C369-R371 PolarHBondContact O-N 3.4Å; C369-H386 VanDerWaalsContact SG-CE1 3.5Å; C369-H386 PolarHBondContact SG-ND1 2.84Å; C369-H386 VanDerWaalsContact SG-ND1 3.39Å
370H82.6Confident74.5Confident152 Ų15269.8 Ų69.870%0.70437%0.365SS*.  trans55.912.3-179.1-49.1-44.6000115.9C366 S367C366-H370 WeakPolarHBondContact O-CA 3.31Å; C366-H370 PolarHBondContact O-N 3.36Å; S367-H370 PolarHBondContact O-CE1 2.73Å; S367-H370 VanDerWaalsContact O-CE1 3.32Å
371R72Confident75.4Confident181 Ų18168.8 Ų68.868%0.68336%0.36SS*.  trans-88.8152.2174.7-66.1179.9-174.6-167.31.2111.5C366 C369 H386C366-R371 WeakPolarHBondContact CB-O 3.36Å; C366-R371 PolarHBondContact N-O 3.23Å; C369-R371 PolarHBondContact O-N 3.4Å; R371-H386 PolarHBondContact O-CE1 3.18Å
372P72Confident76.5Confident50 Ų5072.1 Ų72.133%0.32539%0.394SS..BIsolated β-bridgetrans-56.3144.817422.5-35.5000114.8G361 H386G361-P372 WeakPolarHBondContact O-CB 3.28Å; P372-H386 PolarHBondContact O-CE1 2.92Å; P372-H386 PolarHBondContact O-NE2 2.93Å
373I70.2Confident77.7Confident11 Ų1176.3 Ų76.36%0.05641%0.413CS..  trans-107.2110.1175.1-56.1157.4000109.9G361 E364 C366 R376 V377 P384G361-I373 WeakPolarHBondContact CA-O 3.48Å; E364-I373 PolarHBondContact O-N 3.46Å; C366-I373 HydrophobicContact CB-CD1 3.9Å; C366-I373 HydrophobicContact CB-CG1 3.76Å; I373-R376 WeakPolarHBondContact CG2-O 2.93Å; I373-V377 HydrophobicContact CD1-CB 4.42Å; I373-V377 HydrophobicContact CD1-CG2 4.01Å; I373-V377 HydrophobicContact CG2-CB 3.78Å; I373-P384 HydrophobicContact CD1-CB 3.83Å
374G61.7Low78.7Confident30 Ų3072 Ų7231%0.30939%0.388SS..  trans-84.6-83-178.300000114.2R359R359-G374 CarbonylContact O-C 3.55Å; R359-G374 VanDerWaalsContact O-C 3.28Å; R359-G374 WeakPolarHBondContact O-CA 3.43Å
375D66.7Low79.6Confident159 Ų15969.2 Ų69.285%0.8538%0.375SS*.SBendtrans-78.2-35.7-163.4-43.8-85000114.4
376R73.3Confident80Confident197 Ų19768.6 Ų68.674%0.74336%0.362SS*.  trans-146.3122.8-174.4-60.5-171.5-170.7-160.65.3110.7I373 P387I373-R376 WeakPolarHBondContact CG2-O 2.93Å; R376-P387 HydrophobicContact CB-CG 4.36Å; R376-P387 VanDerWaalsContact O-CD 3.22Å; R376-P387 WeakPolarHBondContact O-CD 3.47Å
377V78.1Confident80Confident57 Ų5770 Ų7035%0.34537%0.372SS..  trans-105.1142.9169.752.40000110.2I373 H379 P384 Y385I373-V377 HydrophobicContact CD1-CB 4.42Å; I373-V377 HydrophobicContact CD1-CG2 4.01Å; I373-V377 HydrophobicContact CG2-CB 3.78Å; V377-H379 VanDerWaalsContact CG1-CE1 3.4Å; V377-H379 WeakPolarHBondContact CG1-CE1 3.36Å; V377-P384 HydrophobicContact CG2-CB 3.61Å; V377-Y385 WeakPolarHBondContact CA-O 3.25Å
378V84.5Confident80.1Confident35 Ų3574.8 Ų74.821%0.21240%0.395CS..EExtended strand (participates in β ladder)trans-107.3113.5163.2179.30000106.8Y385 P387 F390V378-Y385 PolarHBondContact N-O 2.88Å; V378-Y385 PolarHBondContact O-N 2.87Å; V378-P387 HydrophobicContact CG2-CB 4.08Å; V378-F390 HydrophobicContact CG1-CD1 3.9Å; V378-F390 HydrophobicContact CG1-CD2 4.3Å; V378-F390 HydrophobicContact CG1-CE1 4.19Å; V378-F390 HydrophobicContact CG1-CG 3.98Å
379H85.6Confident80.2Confident107 Ų10772.7 Ų72.750%0.49539%0.385SS..EExtended strand (participates in β ladder)trans-87.8118.7172.1-66.499.9000109.5E364 V377 M383E364-H379 VanDerWaalsContact CD-NE2 3.34Å; E364-H379 IonicContact OE1-CD2 3.9Å; E364-H379 IonicContact OE1-CE1 3.92Å; E364-H379 IonicContact OE1-NE2 2.96Å; E364-H379 PolarHBondContact OE1-NE2 3.2Å; E364-H379 IonicContact OE2-CE1 3.5Å; E364-H379 PolarHBondContact OE2-CE1 3.45Å; E364-H379 IonicContact OE2-NE2 2.95Å; E364-H379 PolarHBondContact OE2-NE2 2.91Å; V377-H379 VanDerWaalsContact CG1-CE1 3.4Å; V377-H379 WeakPolarHBondContact CG1-CE1 3.36Å; H379-M383 WeakPolarHBondContact CA-O 3.16Å
380A83.8Confident80.5Confident7 Ų770.9 Ų70.96%0.05837%0.372CS..EExtended strand (participates in β ladder)trans-132.2126.7179.200000109.6G382 M383 Y385 F390 F404A380-G382 PolarHBondContact O-N 2.95Å; A380-M383 PolarHBondContact N-O 2.88Å; A380-M383 PolarHBondContact O-N 3.36Å; A380-Y385 HydrophobicContact CB-CD2 4.12Å; A380-Y385 HydrophobicContact CB-CE2 4.01Å; A380-F390 HydrophobicContact CB-CD2 4.23Å; A380-F390 HydrophobicContact CB-CE2 3.37Å; A380-F390 HydrophobicContact CB-CZ 3.78Å; A380-F404 HydrophobicContact CB-CE2 3.96Å; A380-F404 HydrophobicContact CB-CZ 3.87Å
381L83.7Confident80.9Confident73 Ų7365.2 Ų65.238%0.38235%0.348SS..THydrogen-bonded Turntrans53.334.7-176.8-53.3174.4000113.5V98 M383 F404 I406V98-L381 HydrophobicContact CB-CD2 4.29Å; V98-L381 HydrophobicContact CG2-CD2 3.61Å; L381-M383 PolarHBondContact O-N 3.11Å; L381-F404 HydrophobicContact CD1-CE2 4.17Å; L381-F404 HydrophobicContact CG-CE2 4.07Å; L381-I406 HydrophobicContact CD1-CB 4.27Å; L381-I406 HydrophobicContact CD1-CD1 3.81Å; L381-I406 HydrophobicContact CD1-CG1 3.69Å; L381-I406 HydrophobicContact CD1-CG2 3.81Å
382G82.2Confident81.9Confident72 Ų7256.7 Ų56.774%0.74232%0.317SS*.THydrogen-bonded Turntrans79.3-4.6-176.200000115.3A380A380-G382 PolarHBondContact O-N 2.95Å
383M83.4Confident82.8Confident96 Ų9657.8 Ų57.847%0.47332%0.322SS..EExtended strand (participates in β ladder)trans-103.7136.3-177-61.9-62.8-8200111.1H379 A380 L381 Y385H379-M383 WeakPolarHBondContact CA-O 3.16Å; A380-M383 PolarHBondContact N-O 2.88Å; A380-M383 PolarHBondContact O-N 3.36Å; L381-M383 PolarHBondContact O-N 3.11Å; M383-Y385 HydrophobicContact CB-CE2 3.74Å; M383-Y385 VanDerWaalsContact O-CD2 3.25Å; M383-Y385 WeakPolarHBondContact O-CD2 3.45Å; M383-Y385 VanDerWaalsContact O-CE2 3.32Å; M383-Y385 WeakPolarHBondContact O-CE2 3.49Å
384P85.2Confident83.8Confident19 Ų1961 Ų6112%0.12334%0.342CS..EExtended strand (participates in β ladder)trans-85.4142.2179.432.9-35000112.3E364 C366 S367 I373 V377E364-P384 HydrophobicContact CB-CB 4.16Å; E364-P384 HydrophobicContact CB-CG 4.11Å; E364-P384 HydrophobicContact CG-CG 4.47Å; E364-P384 WeakPolarHBondContact OE2-CB 3.46Å; C366-P384 WeakPolarHBondContact CA-O 3.32Å; S367-P384 PolarHBondContact N-O 2.87Å; S367-P384 PolarHBondContact OG-O 3.37Å; I373-P384 HydrophobicContact CD1-CB 3.83Å; V377-P384 HydrophobicContact CG2-CB 3.61Å
385Y86.6Confident85.2Confident10 Ų1062.3 Ų62.34%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-138.4155.1177.7-59.9-90.5000111.7N368 V377 V378 A380 M383 F390 L412N368-Y385 HydrophobicContact CB-CD1 3.84Å; N368-Y385 HydrophobicContact CB-CE1 3.99Å; V377-Y385 WeakPolarHBondContact CA-O 3.25Å; V378-Y385 PolarHBondContact N-O 2.88Å; V378-Y385 PolarHBondContact O-N 2.87Å; A380-Y385 HydrophobicContact CB-CD2 4.12Å; A380-Y385 HydrophobicContact CB-CE2 4.01Å; M383-Y385 HydrophobicContact CB-CE2 3.74Å; M383-Y385 VanDerWaalsContact O-CD2 3.25Å; M383-Y385 WeakPolarHBondContact O-CD2 3.45Å; M383-Y385 VanDerWaalsContact O-CE2 3.32Å; M383-Y385 WeakPolarHBondContact O-CE2 3.49Å; Y385-F390 HydrophobicContact CD2-CD2 4.18Å; Y385-F390 HydrophobicContact CG-CD2 4.25Å; Y385-L412 HydrophobicContact CD1-CD1 3.93Å; Y385-L412 HydrophobicContact CE1-CD1 3.63Å; Y385-L412 HydrophobicContact CE1-CG 4.2Å; Y385-L412 HydrophobicContact CE2-CD1 4.44Å; Y385-L412 HydrophobicContact CG-CD1 4.46Å
386H84.4Confident86.4Confident39 Ų3958.4 Ų58.418%0.18134%0.336CS..  trans-69.8148.1160-57.199.7000109.9C366 C369 R371 P372 N388 C389 F390C366-H386 WeakPolarHBondContact CB-CE1 3.33Å; C366-H386 WeakPolarHBondContact CB-ND1 3.13Å; C366-H386 PolarHBondContact SG-N 2.78Å; C366-H386 PolarHBondContact SG-ND1 3.21Å; C366-H386 VanDerWaalsContact SG-ND1 3.36Å; C369-H386 VanDerWaalsContact SG-CE1 3.5Å; C369-H386 PolarHBondContact SG-ND1 2.84Å; C369-H386 VanDerWaalsContact SG-ND1 3.39Å; R371-H386 PolarHBondContact O-CE1 3.18Å; P372-H386 PolarHBondContact O-CE1 2.92Å; P372-H386 PolarHBondContact O-NE2 2.93Å; H386-N388 PolarHBondContact O-N 2.84Å; H386-C389 HydrophobicContact CB-CB 3.97Å; H386-C389 CarbonylContact O-C 3.57Å; H386-C389 WeakPolarHBondContact O-CA 3.46Å; H386-C389 PolarHBondContact O-N 2.97Å; H386-F390 PolarHBondContact O-N 3.49Å
387P86.8Confident87.2Confident31 Ų3150 Ų5020%0.20131%0.31CS..G310 helixtrans-57.4-35172.423.3-34.4000112.7R376 V378 C389 F390R376-P387 HydrophobicContact CB-CG 4.36Å; R376-P387 VanDerWaalsContact O-CD 3.22Å; R376-P387 WeakPolarHBondContact O-CD 3.47Å; V378-P387 HydrophobicContact CG2-CB 4.08Å; P387-C389 VanDerWaalsContact C-N 3.29Å; P387-C389 PolarHBondContact O-N 2.86Å; P387-F390 PolarHBondContact O-N 3.06Å
388N87Confident87.8Confident130 Ų13054 Ų5470%0.69532%0.319SS*.G310 helixtrans-76.5-15176.4-64.11.5000113.3H386H386-N388 PolarHBondContact O-N 2.84Å
389C88.5Confident88Confident26 Ų2652.4 Ų52.418%0.17631%0.31CS..G310 helixtrans-101.3-2.9175.9-640000112.6N368 H386 P387 V391N368-C389 HydrophobicContact CB-CB 4.23Å; N368-C389 PolarHBondContact ND2-O 3.18Å; H386-C389 HydrophobicContact CB-CB 3.97Å; H386-C389 CarbonylContact O-C 3.57Å; H386-C389 WeakPolarHBondContact O-CA 3.46Å; H386-C389 PolarHBondContact O-N 2.97Å; P387-C389 VanDerWaalsContact C-N 3.29Å; P387-C389 PolarHBondContact O-N 2.86Å; C389-V391 PolarHBondContact O-N 3.34Å
390F91.2Very high87.9Confident6 Ų650.8 Ų50.83%0.02630%0.304CS..  trans-85.564176.3-166.1-118.9000110.6V378 A380 Y385 H386 P387 L399 F404 L412V378-F390 HydrophobicContact CG1-CD1 3.9Å; V378-F390 HydrophobicContact CG1-CD2 4.3Å; V378-F390 HydrophobicContact CG1-CE1 4.19Å; V378-F390 HydrophobicContact CG1-CG 3.98Å; A380-F390 HydrophobicContact CB-CD2 4.23Å; A380-F390 HydrophobicContact CB-CE2 3.37Å; A380-F390 HydrophobicContact CB-CZ 3.78Å; Y385-F390 HydrophobicContact CD2-CD2 4.18Å; Y385-F390 HydrophobicContact CG-CD2 4.25Å; H386-F390 PolarHBondContact O-N 3.49Å; P387-F390 PolarHBondContact O-N 3.06Å; F390-L399 HydrophobicContact CD1-CB 3.73Å; F390-L399 VanDerWaalsContact CE1-C 3.5Å; F390-L399 HydrophobicContact CE1-CB 3.44Å; F390-L399 VanDerWaalsContact CE1-CB 3.44Å; F390-L399 HydrophobicContact CE2-CB 4.42Å; F390-L399 HydrophobicContact CG-CB 4.34Å; F390-L399 HydrophobicContact CZ-CB 3.8Å; F390-L399 PolarHBondContact O-N 3.13Å; F390-F404 HydrophobicContact CE1-CE1 4.43Å; F390-F404 HydrophobicContact CE2-CD2 4.4Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 HydrophobicContact CE2-CZ 4.34Å; F390-F404 AromaticContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD2 4.1Å; F390-F404 AromaticContact CZ-CE1 3.71Å; F390-F404 HydrophobicContact CZ-CE1 3.71Å; F390-F404 AromaticContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CG 4.13Å; F390-F404 AromaticContact CZ-CZ 3.71Å; F390-F404 HydrophobicContact CZ-CZ 3.71Å; F390-L412 HydrophobicContact CD2-CD1 3.56Å; F390-L412 HydrophobicContact CD2-CD2 4.43Å; F390-L412 HydrophobicContact CE2-CD1 3.87Å; F390-L412 HydrophobicContact CE2-CD2 3.88Å
391V92.5Very high87.9Confident33 Ų3355.7 Ų55.720%0.234%0.338CS..BIsolated β-bridgetrans-126.2153.2-173.7-65.40000111.1C389 G397 R398C389-V391 PolarHBondContact O-N 3.34Å; V391-G397 WeakPolarHBondContact CA-O 3.45Å; V391-R398 HydrophobicContact CG1-CG 4.07Å
392C92.6Very high87.9Confident2 Ų258.8 Ų58.81%0.01435%0.345CS..  trans-71.6132.9172.6179.50000111.5V394 C395 A396 G397 L399 C414 D417C392-V394 PolarHBondContact O-N 3.19Å; C392-V394 PolarHBondContact SG-N 3.37Å; C392-C395 VanDerWaalsContact CB-SG 3.57Å; C392-A396 WeakPolarHBondContact O-CA 3.48Å; C392-A396 PolarHBondContact O-N 2.91Å; C392-G397 PolarHBondContact N-O 3.32Å; C392-L399 HydrophobicContact CB-CD2 4.08Å; C392-C414 HydrophobicContact CB-CB 4.24Å; C392-C414 PolarHBondContact SG-N 3.18Å; C392-D417 PolarHBondContact SG-OD2 3.38Å; C392-D417 VanDerWaalsContact SG-OD2 3.32Å
393V90.8Very high88Confident74 Ų7458.2 Ų58.245%0.44833%0.328SS..THydrogen-bonded Turntrans-65.2-18.3176.9176.10000113.6R411 L412V393-R411 HydrophobicContact CG2-CB 4.21Å; V393-L412 PolarHBondContact N-O 3.49Å
394V90.6Very high88.2Confident78 Ų7854.3 Ų54.347%0.47331%0.309SS..THydrogen-bonded Turntrans-94.8-59.2-179.7177.70000112.1C392 D417C392-V394 PolarHBondContact O-N 3.19Å; C392-V394 PolarHBondContact SG-N 3.37Å; V394-D417 HydrophobicContact CB-CB 3.93Å; V394-D417 HydrophobicContact CG1-CB 4.05Å; V394-D417 HydrophobicContact CG2-CB 4.29Å
395C92.8Very high88.3Confident58 Ų5853.9 Ų53.939%0.39231%0.305SS..THydrogen-bonded Turntrans-930.6-177.264.70000115.4C392 G397 D417C392-C395 VanDerWaalsContact CB-SG 3.57Å; C395-G397 PolarHBondContact O-N 2.92Å; C395-D417 WeakPolarHBondContact CB-OD2 3.18Å; C395-D417 PolarHBondContact SG-OD2 2.92Å
396A91.1Very high88.3Confident76 Ų7656.7 Ų56.763%0.62832%0.32SS*.  trans55.61.6-172.400000115.9C392C392-A396 WeakPolarHBondContact O-CA 3.48Å; C392-A396 PolarHBondContact O-N 2.91Å
397G89.8Confident88.3Confident20 Ų2055.3 Ų55.321%0.20631%0.314CS..  trans-68.6140.3-179.700000112.6V391 C392 C395V391-G397 WeakPolarHBondContact CA-O 3.45Å; C392-G397 PolarHBondContact N-O 3.32Å; C395-G397 PolarHBondContact O-N 2.92Å
398R90.4Very high88.2Confident141 Ų14160.1 Ų60.153%0.53234%0.343SS..BIsolated β-bridgetrans-60.4138.2173.3-69.3175.962.51680.4111V391 D400V391-R398 HydrophobicContact CG1-CG 4.07Å; R398-D400 IonicContact CZ-OD2 3.39Å; R398-D400 IonicContact NE-OD2 4Å; R398-D400 PolarHBondContact NE-OD2 3.27Å; R398-D400 IonicContact NH2-OD2 2.71Å; R398-D400 PolarHBondContact NH2-OD2 3.4Å
399L88.7Confident88Confident3 Ų360.4 Ų60.42%0.01634%0.34CS..  trans-97.8-4.3-175.3-64.6175.2000113.4F390 C392 S401 R402 F404 L412 C414F390-L399 HydrophobicContact CD1-CB 3.73Å; F390-L399 VanDerWaalsContact CE1-C 3.5Å; F390-L399 HydrophobicContact CE1-CB 3.44Å; F390-L399 VanDerWaalsContact CE1-CB 3.44Å; F390-L399 HydrophobicContact CE2-CB 4.42Å; F390-L399 HydrophobicContact CG-CB 4.34Å; F390-L399 HydrophobicContact CZ-CB 3.8Å; F390-L399 PolarHBondContact O-N 3.13Å; C392-L399 HydrophobicContact CB-CD2 4.08Å; L399-S401 PolarHBondContact O-N 3.33Å; L399-R402 PolarHBondContact O-N 3.32Å; L399-R402 VanDerWaalsContact O-N 3.11Å; L399-F404 HydrophobicContact CB-CB 4.32Å; L399-F404 HydrophobicContact CD1-CB 3.95Å; L399-F404 HydrophobicContact CD1-CG 4.47Å; L399-F404 HydrophobicContact CD2-CB 4.01Å; L399-F404 HydrophobicContact CG-CB 4.32Å; L399-L412 HydrophobicContact CD1-CB 3.78Å; L399-L412 HydrophobicContact CD1-CD1 4.38Å; L399-L412 HydrophobicContact CD1-CD2 4.4Å; L399-L412 HydrophobicContact CD1-CG 4.42Å; L399-C414 HydrophobicContact CD2-CB 3.65Å
400D84.7Confident87.8Confident72 Ų7261.2 Ų61.239%0.38535%0.353SS..THydrogen-bonded Turntrans-51.3-23-176.1-55.1-56.7000115.3R398R398-D400 IonicContact CZ-OD2 3.39Å; R398-D400 IonicContact NE-OD2 4Å; R398-D400 PolarHBondContact NE-OD2 3.27Å; R398-D400 IonicContact NH2-OD2 2.71Å; R398-D400 PolarHBondContact NH2-OD2 3.4Å
401S83.3Confident87.5Confident110 Ų11065.5 Ų65.577%0.76937%0.369SS*.THydrogen-bonded Turntrans-133.915.9-175.652.70000113.5L399L399-S401 PolarHBondContact O-N 3.33Å
402R82.5Confident87.4Confident138 Ų13864.1 Ų64.152%0.52136%0.36SS..SBendtrans-129.4142.7-175.8-67.9-177.5174.1-171.3-1.4110.9L399 F404L399-R402 PolarHBondContact O-N 3.32Å; L399-R402 VanDerWaalsContact O-N 3.11Å; R402-F404 PolarHBondContact O-N 2.97Å
403P85.1Confident87.1Confident61 Ų6164.1 Ų64.140%0.39636%0.36SS..  trans-60.6133.317227.4-34.3000109.7L415P403-L415 HydrophobicContact CB-CB 4.07Å; P403-L415 HydrophobicContact CB-CD2 4.04Å; P403-L415 HydrophobicContact CG-CB 4.11Å; P403-L415 HydrophobicContact CG-CD2 4.28Å; P403-L415 WeakPolarHBondContact O-CB 3.43Å; P403-L415 PolarHBondContact O-N 3.09Å
404F88Confident87.1Confident14 Ų1460.9 Ų60.96%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-137.8163.8-173.670.3-86.3000110.8L100 A380 L381 F390 L399 R402 L412 H413L100-F404 HydrophobicContact CD1-CE1 4.48Å; A380-F404 HydrophobicContact CB-CE2 3.96Å; A380-F404 HydrophobicContact CB-CZ 3.87Å; L381-F404 HydrophobicContact CD1-CE2 4.17Å; L381-F404 HydrophobicContact CG-CE2 4.07Å; F390-F404 HydrophobicContact CE1-CE1 4.43Å; F390-F404 HydrophobicContact CE2-CD2 4.4Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 HydrophobicContact CE2-CZ 4.34Å; F390-F404 AromaticContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD2 4.1Å; F390-F404 AromaticContact CZ-CE1 3.71Å; F390-F404 HydrophobicContact CZ-CE1 3.71Å; F390-F404 AromaticContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CG 4.13Å; F390-F404 AromaticContact CZ-CZ 3.71Å; F390-F404 HydrophobicContact CZ-CZ 3.71Å; L399-F404 HydrophobicContact CB-CB 4.32Å; L399-F404 HydrophobicContact CD1-CB 3.95Å; L399-F404 HydrophobicContact CD1-CG 4.47Å; L399-F404 HydrophobicContact CD2-CB 4.01Å; L399-F404 HydrophobicContact CG-CB 4.32Å; R402-F404 PolarHBondContact O-N 2.97Å; F404-L412 HydrophobicContact CD2-CD2 4.06Å; F404-L412 HydrophobicContact CE2-CD2 4.37Å; F404-H413 CarbonylContact C-O 3.56Å; F404-H413 VanDerWaalsContact CA-O 3.27Å; F404-H413 WeakPolarHBondContact CA-O 3.34Å; F404-H413 WeakPolarHBondContact CB-O 3.46Å
405T86.2Confident86.9Confident9 Ų958.4 Ų58.46%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-148.9168.3175.6-173.90000110H413 F418T405-H413 PolarHBondContact N-O 3.19Å; T405-H413 PolarHBondContact O-N 2.96Å; T405-F418 HydrophobicContact CG2-CB 3.74Å; T405-F418 HydrophobicContact CG2-CD1 3.85Å; T405-F418 HydrophobicContact CG2-CD2 3.45Å; T405-F418 VanDerWaalsContact CG2-CD2 3.45Å; T405-F418 HydrophobicContact CG2-CE1 4.34Å; T405-F418 HydrophobicContact CG2-CE2 3.98Å; T405-F418 HydrophobicContact CG2-CG 3.38Å; T405-F418 HydrophobicContact CG2-CZ 4.4Å
406I86.9Confident86.6Confident69 Ų6960.7 Ų60.735%0.35434%0.337SS..EExtended strand (participates in β ladder)trans-106.5136170.554177.7000110.8L381 R411 L412L381-I406 HydrophobicContact CD1-CB 4.27Å; L381-I406 HydrophobicContact CD1-CD1 3.81Å; L381-I406 HydrophobicContact CD1-CG1 3.69Å; L381-I406 HydrophobicContact CD1-CG2 3.81Å; I406-R411 WeakPolarHBondContact CA-O 3.27Å; I406-L412 HydrophobicContact CG2-CD2 3.88Å
407D85.5Confident86.4Confident10 Ų1058.2 Ų58.25%0.05331%0.313CS..  trans-73.7164.3167.6166.647.3000110.3H409 G410 R411 H413 Y422D407-H409 PolarHBondContact O-N 3.03Å; D407-H409 IonicContact OD2-CD2 3.54Å; D407-H409 PolarHBondContact OD2-CD2 2.91Å; D407-G410 PolarHBondContact O-N 2.85Å; D407-R411 HydrophobicContact CB-CB 4.32Å; D407-R411 PolarHBondContact N-O 3.21Å; D407-R411 IonicContact OD2-CZ 3.91Å; D407-R411 VanDerWaalsContact OD2-CZ 3.23Å; D407-R411 IonicContact OD2-NE 2.77Å; D407-R411 PolarHBondContact OD2-NE 2.99Å; D407-R411 IonicContact OD2-NH2 2.92Å; D407-R411 PolarHBondContact OD2-NH2 3.3Å; D407-H413 VanDerWaalsContact CB-CE1 3.43Å; D407-H413 WeakPolarHBondContact CB-CE1 3.49Å; D407-H413 IonicContact OD2-CE1 3.16Å; D407-Y422 PolarHBondContact OD1-OH 3.49Å
408V83.1Confident86.3Confident133 Ų13358.2 Ų58.281%0.80631%0.308SS*.THydrogen-bonded Turntrans-58.8-18-175.3-61.70000113.9
409H83.9Confident86.1Confident136 Ų13653.5 Ų53.563%0.6329%0.291SS*.THydrogen-bonded Turntrans-91.715.5174.2-54.5-68.9000113.9D407 R411D407-H409 PolarHBondContact O-N 3.03Å; D407-H409 IonicContact OD2-CD2 3.54Å; D407-H409 PolarHBondContact OD2-CD2 2.91Å; H409-R411 HydrophobicContact CB-CG 4.15Å; H409-R411 PolarHBondContact CD2-NH2 2.82Å; H409-R411 PolarHBondContact O-N 2.89Å
410G83.2Confident85.9Confident43 Ų4360.2 Ų60.244%0.44332%0.321SS..SBendtrans7211-178.500000115D407D407-G410 PolarHBondContact O-N 2.85Å
411R86.5Confident85.9Confident96 Ų9663.9 Ų63.936%0.36233%0.329SS..  trans-86.1128.1-173.1-63.8-175.9-61-167.2-1.4111.8V393 I406 D407 H409 H413V393-R411 HydrophobicContact CG2-CB 4.21Å; I406-R411 WeakPolarHBondContact CA-O 3.27Å; D407-R411 HydrophobicContact CB-CB 4.32Å; D407-R411 PolarHBondContact N-O 3.21Å; D407-R411 IonicContact OD2-CZ 3.91Å; D407-R411 VanDerWaalsContact OD2-CZ 3.23Å; D407-R411 IonicContact OD2-NE 2.77Å; D407-R411 PolarHBondContact OD2-NE 2.99Å; D407-R411 IonicContact OD2-NH2 2.92Å; D407-R411 PolarHBondContact OD2-NH2 3.3Å; H409-R411 HydrophobicContact CB-CG 4.15Å; H409-R411 PolarHBondContact CD2-NH2 2.82Å; H409-R411 PolarHBondContact O-N 2.89Å; R411-H413 PolarHBondContact O-N 2.99Å; R411-H413 PolarHBondContact O-ND1 2.94Å
412L89.5Confident85.9Confident4 Ų463 Ų632%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-68.3125.6178.2-69.5170.8000112.4Y385 F390 V393 L399 F404 I406Y385-L412 HydrophobicContact CD1-CD1 3.93Å; Y385-L412 HydrophobicContact CE1-CD1 3.63Å; Y385-L412 HydrophobicContact CE1-CG 4.2Å; Y385-L412 HydrophobicContact CE2-CD1 4.44Å; Y385-L412 HydrophobicContact CG-CD1 4.46Å; F390-L412 HydrophobicContact CD2-CD1 3.56Å; F390-L412 HydrophobicContact CD2-CD2 4.43Å; F390-L412 HydrophobicContact CE2-CD1 3.87Å; F390-L412 HydrophobicContact CE2-CD2 3.88Å; V393-L412 PolarHBondContact N-O 3.49Å; L399-L412 HydrophobicContact CD1-CB 3.78Å; L399-L412 HydrophobicContact CD1-CD1 4.38Å; L399-L412 HydrophobicContact CD1-CD2 4.4Å; L399-L412 HydrophobicContact CD1-CG 4.42Å; F404-L412 HydrophobicContact CD2-CD2 4.06Å; F404-L412 HydrophobicContact CE2-CD2 4.37Å; I406-L412 HydrophobicContact CG2-CD2 3.88Å
413H87.6Confident86Confident1 Ų157.2 Ų57.21%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-127140.8174.7-67.978.1000110.3F404 T405 D407 R411 F418F404-H413 CarbonylContact C-O 3.56Å; F404-H413 VanDerWaalsContact CA-O 3.27Å; F404-H413 WeakPolarHBondContact CA-O 3.34Å; F404-H413 WeakPolarHBondContact CB-O 3.46Å; T405-H413 PolarHBondContact N-O 3.19Å; T405-H413 PolarHBondContact O-N 2.96Å; D407-H413 VanDerWaalsContact CB-CE1 3.43Å; D407-H413 WeakPolarHBondContact CB-CE1 3.49Å; D407-H413 IonicContact OD2-CE1 3.16Å; R411-H413 PolarHBondContact O-N 2.99Å; R411-H413 PolarHBondContact O-ND1 2.94Å; H413-F418 HydrophobicContact CB-CB 4.06Å; H413-F418 HydrophobicContact CB-CD2 4.32Å
414C89.3Confident86Confident6 Ų656.5 Ų56.54%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-69.9149164.185.90000108.9C392 L399 T416 D417 F418C392-C414 HydrophobicContact CB-CB 4.24Å; C392-C414 PolarHBondContact SG-N 3.18Å; L399-C414 HydrophobicContact CD2-CB 3.65Å; C414-T416 PolarHBondContact O-N 2.92Å; C414-D417 PolarHBondContact O-N 3.17Å; C414-D417 VanDerWaalsContact SG-CG 3.58Å; C414-D417 PolarHBondContact SG-N 2.86Å; C414-D417 VanDerWaalsContact SG-N 3.4Å; C414-D417 PolarHBondContact SG-OD2 3.48Å; C414-F418 WeakPolarHBondContact O-CB 3.34Å; C414-F418 PolarHBondContact O-N 2.94Å
415L86.3Confident86Confident26 Ų2662.3 Ų62.314%0.13631%0.308CS..Hα-helixtrans-59.5-33.6-174.1-167.665.8000112.1V97 P403 F418 H419V97-L415 HydrophobicContact CG1-CD2 4.2Å; V97-L415 HydrophobicContact CG2-CD1 4.21Å; P403-L415 HydrophobicContact CB-CB 4.07Å; P403-L415 HydrophobicContact CB-CD2 4.04Å; P403-L415 HydrophobicContact CG-CB 4.11Å; P403-L415 HydrophobicContact CG-CD2 4.28Å; P403-L415 WeakPolarHBondContact O-CB 3.43Å; P403-L415 PolarHBondContact O-N 3.09Å; L415-F418 PolarHBondContact O-N 3.21Å; L415-H419 WeakPolarHBondContact CD1-NE2 3.48Å; L415-H419 WeakPolarHBondContact O-CB 3.42Å; L415-H419 VanDerWaalsContact O-CG 3.22Å; L415-H419 PolarHBondContact O-N 2.87Å
416T86.1Confident86.3Confident107 Ų10761.9 Ų61.966%0.65631%0.305SS*.Hα-helixtrans-62.9-48.7176.4-45.20000113C414 K420C414-T416 PolarHBondContact O-N 2.92Å; T416-K420 VanDerWaalsContact O-CB 3.32Å; T416-K420 WeakPolarHBondContact O-CB 3.32Å; T416-K420 PolarHBondContact O-N 2.83Å
417D88.2Confident86.5Confident24 Ų2461.5 Ų61.513%0.12831%0.313CS..Hα-helixtrans-69.2-37.7178.4-71.9-42.5000111.4C392 V394 C395 C414 K420 R421C392-D417 PolarHBondContact SG-OD2 3.38Å; C392-D417 VanDerWaalsContact SG-OD2 3.32Å; V394-D417 HydrophobicContact CB-CB 3.93Å; V394-D417 HydrophobicContact CG1-CB 4.05Å; V394-D417 HydrophobicContact CG2-CB 4.29Å; C395-D417 WeakPolarHBondContact CB-OD2 3.18Å; C395-D417 PolarHBondContact SG-OD2 2.92Å; C414-D417 PolarHBondContact O-N 3.17Å; C414-D417 VanDerWaalsContact SG-CG 3.58Å; C414-D417 PolarHBondContact SG-N 2.86Å; C414-D417 VanDerWaalsContact SG-N 3.4Å; C414-D417 PolarHBondContact SG-OD2 3.48Å; D417-K420 PolarHBondContact O-N 3.4Å; D417-R421 PolarHBondContact O-N 2.84Å; D417-R421 VanDerWaalsContact O-N 3.1Å
418F87.7Confident86.8Confident20 Ų2064.9 Ų64.99%0.08834%0.337CS..Hα-helixtrans-61.3-51.6174.8-174-90.9000110.8I95 T405 H413 C414 L415 K420 R421 Y422I95-F418 HydrophobicContact CD1-CE1 3.73Å; I95-F418 HydrophobicContact CD1-CZ 4.06Å; T405-F418 HydrophobicContact CG2-CB 3.74Å; T405-F418 HydrophobicContact CG2-CD1 3.85Å; T405-F418 HydrophobicContact CG2-CD2 3.45Å; T405-F418 VanDerWaalsContact CG2-CD2 3.45Å; T405-F418 HydrophobicContact CG2-CE1 4.34Å; T405-F418 HydrophobicContact CG2-CE2 3.98Å; T405-F418 HydrophobicContact CG2-CG 3.38Å; T405-F418 HydrophobicContact CG2-CZ 4.4Å; H413-F418 HydrophobicContact CB-CB 4.06Å; H413-F418 HydrophobicContact CB-CD2 4.32Å; C414-F418 WeakPolarHBondContact O-CB 3.34Å; C414-F418 PolarHBondContact O-N 2.94Å; L415-F418 PolarHBondContact O-N 3.21Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.36Å; F418-R421 PolarHBondContact O-N 2.74Å; F418-Y422 HydrophobicContact CD1-CD2 4.35Å; F418-Y422 AromaticContact CD2-CD2 3.44Å; F418-Y422 HydrophobicContact CD2-CD2 3.44Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.44Å; F418-Y422 AromaticContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CG 4.4Å; F418-Y422 HydrophobicContact CE1-CD2 4.38Å; F418-Y422 AromaticContact CE2-CD2 3.5Å; F418-Y422 HydrophobicContact CE2-CD2 3.5Å; F418-Y422 AromaticContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CG 4.09Å; F418-Y422 AromaticContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CE2 4.47Å; F418-Y422 AromaticContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CG 4.17Å; F418-Y422 WeakPolarHBondContact O-CD2 3.43Å; F418-Y422 PolarHBondContact O-N 3.21Å
419H85.6Confident87.2Confident41 Ų4160.8 Ų60.819%0.1931%0.314CS..Hα-helixtrans-58-44174.1-73173.3000112.2L415 R421 A423 V434 P435L415-H419 WeakPolarHBondContact CD1-NE2 3.48Å; L415-H419 WeakPolarHBondContact O-CB 3.42Å; L415-H419 VanDerWaalsContact O-CG 3.22Å; L415-H419 PolarHBondContact O-N 2.87Å; H419-R421 PolarHBondContact O-N 2.69Å; H419-A423 HydrophobicContact CB-CB 4.42Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.1Å; H419-V434 HydrophobicContact CB-CG1 3.73Å; H419-P435 VanDerWaalsContact CE1-CD 3.46Å; H419-P435 WeakPolarHBondContact CE1-CD 3.33Å
420K85.4Confident87.5Confident145 Ų14556.4 Ų56.463%0.6331%0.305SS*.Hα-helixtrans-59.6-31.5179.5-174176.9178.5-178.40113.4T416 D417 F418 R425T416-K420 VanDerWaalsContact O-CB 3.32Å; T416-K420 WeakPolarHBondContact O-CB 3.32Å; T416-K420 PolarHBondContact O-N 2.83Å; D417-K420 PolarHBondContact O-N 3.4Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.36Å; K420-R425 PolarHBondContact O-NH2 3.02Å
421R83.5Confident87.7Confident149 Ų14962.9 Ų62.956%0.56232%0.316SS*.Hα-helixtrans-91-44.9179174.1172.6-90.1-170.8-5.7114D417 F418 H419D417-R421 PolarHBondContact O-N 2.84Å; D417-R421 VanDerWaalsContact O-N 3.1Å; F418-R421 PolarHBondContact O-N 2.74Å; H419-R421 PolarHBondContact O-N 2.69Å
422Y83.9Confident87.7Confident92 Ų9260 Ų6036%0.36131%0.31SS..Hα-helixtrans-109.5-14.2-165.9-60.6-83.8000114.9D407 F418D407-Y422 PolarHBondContact OD1-OH 3.49Å; F418-Y422 HydrophobicContact CD1-CD2 4.35Å; F418-Y422 AromaticContact CD2-CD2 3.44Å; F418-Y422 HydrophobicContact CD2-CD2 3.44Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.44Å; F418-Y422 AromaticContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CG 4.4Å; F418-Y422 HydrophobicContact CE1-CD2 4.38Å; F418-Y422 AromaticContact CE2-CD2 3.5Å; F418-Y422 HydrophobicContact CE2-CD2 3.5Å; F418-Y422 AromaticContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CG 4.09Å; F418-Y422 AromaticContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CE2 4.47Å; F418-Y422 AromaticContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CG 4.17Å; F418-Y422 WeakPolarHBondContact O-CD2 3.43Å; F418-Y422 PolarHBondContact O-N 3.21Å
423A84Confident87.5Confident16 Ų1660.1 Ų60.113%0.13231%0.31CS..SBendtrans-72141.617900000111.6H419 P432 V434H419-A423 HydrophobicContact CB-CB 4.42Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.1Å; A423-P432 HydrophobicContact CB-CB 3.88Å; A423-V434 HydrophobicContact CB-CG1 4.34Å
424P85.2Confident87.3Confident46 Ų4662.7 Ų62.730%0.29933%0.326SS..PPolyproline II helixtrans-62.4139.3177.327.3-34.1000110.3I433 N451P424-I433 HydrophobicContact CG-CB 4.48Å; P424-I433 PolarHBondContact O-N 2.92Å; P424-N451 HydrophobicContact CB-CB 4.26Å
425R89.1Confident86.8Confident135 Ų13563.9 Ų63.951%0.50933%0.334SS..BIsolated β-bridgetrans-86.7141.1177.9-63.1-174.9-175.8-68.7-18.3110.6K420 G430 R431K420-R425 PolarHBondContact O-NH2 3.02Å; R425-G430 PolarHBondContact NH1-O 3.4Å; R425-R431 WeakPolarHBondContact CA-O 3.11Å
426C91.6Very high86.1Confident1 Ų168 Ų681%0.00736%0.356CS..BIsolated β-bridgetrans-70.5128.7168.1171.50000110.3S428 G430 R431 I433 N451 H453C426-S428 VanDerWaalsContact C-N 3.27Å; C426-S428 PolarHBondContact O-N 2.99Å; C426-S428 PolarHBondContact SG-N 3.37Å; C426-S428 VanDerWaalsContact SG-N 3.35Å; C426-G430 VanDerWaalsContact O-CA 3.28Å; C426-G430 WeakPolarHBondContact O-CA 3.08Å; C426-G430 PolarHBondContact O-N 3.39Å; C426-R431 PolarHBondContact N-O 3.19Å; C426-I433 HydrophobicContact CB-CD1 4.2Å; C426-I433 HydrophobicContact CB-CG1 4.06Å; C426-N451 CarbonylContact C-O 3.58Å; C426-N451 VanDerWaalsContact CA-O 3.25Å; C426-N451 WeakPolarHBondContact CA-O 3.38Å; C426-H453 WeakPolarHBondContact CB-ND1 3.49Å
427A91.7Very high85.3Confident61 Ų6168.6 Ų68.650%0.50437%0.372SS..THydrogen-bonded Turntrans-69.4-22179.600000113.5N451 Y452A427-N451 PolarHBondContact N-O 2.89Å; A427-Y452 HydrophobicContact CB-CD1 4.49Å; A427-Y452 HydrophobicContact CB-CE1 3.86Å
428S90.9Very high84.4Confident80 Ų8071.4 Ų71.456%0.55941%0.406SS*.THydrogen-bonded Turntrans-79.3-44.5176.1163.30000112.7C426C426-S428 VanDerWaalsContact C-N 3.27Å; C426-S428 PolarHBondContact O-N 2.99Å; C426-S428 PolarHBondContact SG-N 3.37Å; C426-S428 VanDerWaalsContact SG-N 3.35Å
429C92.7Very high83.4Confident48 Ų4873.9 Ų73.932%0.32443%0.425SS..THydrogen-bonded Turntrans-118.2-0.3-171.278.50000115.4R431C429-R431 PolarHBondContact O-N 3.02Å
430G89.2Confident82.5Confident43 Ų4379.6 Ų79.644%0.44345%0.452SS..  trans68.8-13.1179.300000116.5R425 C426R425-G430 PolarHBondContact NH1-O 3.4Å; C426-G430 VanDerWaalsContact O-CA 3.28Å; C426-G430 WeakPolarHBondContact O-CA 3.08Å; C426-G430 PolarHBondContact O-N 3.39Å
431R88.3Confident81.7Confident179 Ų17978.8 Ų78.868%0.67545%0.45SS*.  trans-70.1147.1-179.3-60.7174.9-174170.61110.7R425 C426 C429R425-R431 WeakPolarHBondContact CA-O 3.11Å; C426-R431 PolarHBondContact N-O 3.19Å; C429-R431 PolarHBondContact O-N 3.02Å
432P87Confident81.1Confident37 Ų3773.7 Ų73.724%0.2444%0.441CS..BIsolated β-bridgetrans-63.1144.2171.328.4-34.2000110.7A423 V434 H453A423-P432 HydrophobicContact CB-CB 3.88Å; P432-V434 HydrophobicContact CB-CG1 4.08Å; P432-V434 HydrophobicContact CG-CG1 4.26Å; P432-H453 PolarHBondContact O-NE2 3.19Å
433I84.4Confident80.8Confident5 Ų575.4 Ų75.43%0.02645%0.446CS..  trans-91.7108.3172.1-53.3159.1000107.5P424 C426 R443 R444 N451P424-I433 HydrophobicContact CG-CB 4.48Å; P424-I433 PolarHBondContact O-N 2.92Å; C426-I433 HydrophobicContact CB-CD1 4.2Å; C426-I433 HydrophobicContact CB-CG1 4.06Å; I433-R443 WeakPolarHBondContact CG2-O 3.48Å; I433-R444 HydrophobicContact CD1-CB 4.03Å; I433-R444 HydrophobicContact CG2-CB 4.04Å; I433-N451 HydrophobicContact CD1-CB 3.81Å
434V82.8Confident80.8Confident55 Ų5580.9 Ų80.933%0.33346%0.463SS..  trans-117.2156.6-174.2-610000109.1H419 A423 P432H419-V434 HydrophobicContact CB-CG1 3.73Å; A423-V434 HydrophobicContact CB-CG1 4.34Å; P432-V434 HydrophobicContact CB-CG1 4.08Å; P432-V434 HydrophobicContact CG-CG1 4.26Å
435P79Confident80.8Confident32 Ų3280 Ų8021%0.20846%0.457CS..  trans-68.8144.817130.8-33.8000110.4H419 A442H419-P435 VanDerWaalsContact CE1-CD 3.46Å; H419-P435 WeakPolarHBondContact CE1-CD 3.33Å; P435-A442 HydrophobicContact CB-CB 4.14Å
436D72.5Confident80.7Confident113 Ų11377.4 Ų77.460%0.60446%0.456SS*.  trans-67157.8176.9-56.2-62.5000112G438 C439D436-G438 PolarHBondContact O-N 2.81Å; D436-C439 HydrophobicContact CB-CB 4.37Å; D436-C439 PolarHBondContact O-N 2.91Å
437A69.5Low80.6Confident119 Ų11980 Ų8098%0.98348%0.475SS*.THydrogen-bonded Turntrans-65.895-175.400000112.3
438G67.7Low80.3Confident83 Ų8380.2 Ų80.286%0.85648%0.483SS*.THydrogen-bonded Turntrans122.2-16.7-176.100000113.6D436D436-G438 PolarHBondContact O-N 2.81Å
439C68.2Low80.1Confident71 Ų7184.3 Ų84.348%0.4850%0.498SS..  trans-85.8141.3171.4-68.30000110.6D436D436-C439 HydrophobicContact CB-CB 4.37Å; D436-C439 PolarHBondContact O-N 2.91Å
440Q65Low79.9Confident162 Ų16284.3 Ų84.376%0.75750%0.499SS*.SBendtrans-92.9-9.4170.2-69-176-22.100112.8
441E69.5Low79.9Confident127 Ų12783.8 Ų83.859%0.59349%0.486SS*.SBendtrans-114.5131.4-175.9-177.1-177.7-133.400110.7R443E441-R443 IonicContact OE2-NE 2.69Å; E441-R443 IonicContact OE2-NH2 3.23Å
442A71.7Confident79.9Confident43 Ų4377.6 Ų77.636%0.35546%0.463SS..  trans-95.1106.617700000110.4P435P435-A442 HydrophobicContact CB-CB 4.14Å
443R76.8Confident79.9Confident127 Ų12777.9 Ų77.948%0.47946%0.461SS..  trans-84.1134.3-178-61.9-178.8170.7-175.7-4.2111.3I433 E441 L454I433-R443 WeakPolarHBondContact CG2-O 3.48Å; E441-R443 IonicContact OE2-NE 2.69Å; E441-R443 IonicContact OE2-NH2 3.23Å; R443-L454 HydrophobicContact CB-CD1 3.85Å; R443-L454 HydrophobicContact CB-CG 4.35Å
444R83.1Confident79.9Confident131 Ų13179.6 Ų79.649%0.49447%0.47SS..  trans-146.7151.1-178.454.8176166.7162.5-2.7110.9I433 V446 N451 Y452I433-R444 HydrophobicContact CD1-CB 4.03Å; I433-R444 HydrophobicContact CG2-CB 4.04Å; R444-V446 HydrophobicContact CG-CG2 4.46Å; R444-N451 WeakPolarHBondContact CD-OD1 3.41Å; R444-N451 PolarHBondContact NH1-OD1 2.93Å; R444-Y452 CarbonylContact C-O 3.58Å; R444-Y452 VanDerWaalsContact CA-O 3.3Å; R444-Y452 WeakPolarHBondContact CA-O 3.47Å; R444-Y452 WeakPolarHBondContact CB-O 3.3Å
445V85.3Confident80.1Confident27 Ų2784.7 Ų84.716%0.16449%0.49CS..EExtended strand (participates in β ladder)trans-89.3141159.2-167.90000108.4N451 Y452 L454 F457 V459V445-N451 CarbonylContact O-C 3.52Å; V445-N451 WeakPolarHBondContact O-CA 3.5Å; V445-Y452 PolarHBondContact N-O 3.44Å; V445-Y452 PolarHBondContact O-N 3.34Å; V445-L454 HydrophobicContact CG2-CD2 3.72Å; V445-F457 HydrophobicContact CB-CB 4.1Å; V445-F457 HydrophobicContact CB-CD1 4.32Å; V445-F457 HydrophobicContact CB-CD2 4.2Å; V445-F457 HydrophobicContact CB-CG 3.95Å; V445-F457 HydrophobicContact CG1-CD1 3.85Å; V445-F457 HydrophobicContact CG1-CD2 3.94Å; V445-F457 HydrophobicContact CG1-CE1 3.97Å; V445-F457 HydrophobicContact CG1-CE2 4.06Å; V445-F457 HydrophobicContact CG1-CG 3.84Å; V445-F457 HydrophobicContact CG1-CZ 4.07Å; V445-F457 HydrophobicContact CG2-CB 3.73Å; V445-F457 HydrophobicContact CG2-CD1 4.07Å; V445-F457 HydrophobicContact CG2-CG 3.9Å; V445-V459 HydrophobicContact CG2-CG2 3.82Å
446V88.8Confident80.4Confident82 Ų8285.3 Ų85.350%0.49749%0.494SS..EExtended strand (participates in β ladder)trans-114.9127.1167.4-177.80000107.1R444 S450R444-V446 HydrophobicContact CG-CG2 4.46Å; V446-S450 WeakPolarHBondContact CA-O 3.25Å
447S87.8Confident81Confident56 Ų5684.4 Ų84.439%0.39249%0.485SS..EExtended strand (participates in β ladder)trans-133116.5176.7-174.30000108.9N449 S450S447-N449 PolarHBondContact O-N 3.17Å; S447-S450 PolarHBondContact N-O 3.14Å; S447-S450 WeakPolarHBondContact O-CB 3.28Å; S447-S450 PolarHBondContact O-N 2.97Å
448G87.1Confident81.4Confident65 Ų6581.6 Ų81.667%0.6747%0.468SS*.THydrogen-bonded Turntrans52.8-126.5-162.600000110.8
449N86.4Confident81.7Confident166 Ų16680.5 Ų80.589%0.88845%0.445SS*.THydrogen-bonded Turntrans-90.1-1.1178.1-61.30.3000113.1S447S447-N449 PolarHBondContact O-N 3.17Å
450S88.7Confident81.2Confident48 Ų4886.2 Ų86.234%0.33646%0.464SS..EExtended strand (participates in β ladder)trans-98.2148.1-173.4-70.90000112.5V446 S447 Y452V446-S450 WeakPolarHBondContact CA-O 3.25Å; S447-S450 PolarHBondContact N-O 3.14Å; S447-S450 WeakPolarHBondContact O-CB 3.28Å; S447-S450 PolarHBondContact O-N 2.97Å; S450-Y452 VanDerWaalsContact CB-CE2 3.47Å; S450-Y452 WeakPolarHBondContact CB-OH 3.32Å
451N89Confident80.8Confident31 Ų3182.3 Ų82.317%0.16645%0.452CS..EExtended strand (participates in β ladder)trans-112.4148.5-179.4-68.2-107.6000109.8P424 C426 A427 I433 R444 V445P424-N451 HydrophobicContact CB-CB 4.26Å; C426-N451 CarbonylContact C-O 3.58Å; C426-N451 VanDerWaalsContact CA-O 3.25Å; C426-N451 WeakPolarHBondContact CA-O 3.38Å; A427-N451 PolarHBondContact N-O 2.89Å; I433-N451 HydrophobicContact CD1-CB 3.81Å; R444-N451 WeakPolarHBondContact CD-OD1 3.41Å; R444-N451 PolarHBondContact NH1-OD1 2.93Å; V445-N451 CarbonylContact O-C 3.52Å; V445-N451 WeakPolarHBondContact O-CA 3.5Å
452Y87.4Confident80.1Confident50 Ų5083.8 Ų83.820%0.19646%0.463CS..EExtended strand (participates in β ladder)trans-144.5145.7-178.6-54.1-99.2000111.7A427 R444 V445 S450 F457A427-Y452 HydrophobicContact CB-CD1 4.49Å; A427-Y452 HydrophobicContact CB-CE1 3.86Å; R444-Y452 CarbonylContact C-O 3.58Å; R444-Y452 VanDerWaalsContact CA-O 3.3Å; R444-Y452 WeakPolarHBondContact CA-O 3.47Å; R444-Y452 WeakPolarHBondContact CB-O 3.3Å; V445-Y452 PolarHBondContact N-O 3.44Å; V445-Y452 PolarHBondContact O-N 3.34Å; S450-Y452 VanDerWaalsContact CB-CE2 3.47Å; S450-Y452 WeakPolarHBondContact CB-OH 3.32Å; Y452-F457 HydrophobicContact CD1-CD2 4.29Å; Y452-F457 AromaticContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CE2 4.35Å; Y452-F457 HydrophobicContact CE2-CD2 4.38Å; Y452-F457 HydrophobicContact CE2-CE2 4.49Å; Y452-F457 AromaticContact CG-CD2 3.87Å; Y452-F457 HydrophobicContact CG-CD2 3.87Å
453H86.8Confident79.1Confident43 Ų4386.3 Ų86.320%0.19948%0.475CS..  trans-62.6153.6158.7-59.388.1000109.2C426 P432 E455 C456 F457C426-H453 WeakPolarHBondContact CB-ND1 3.49Å; P432-H453 PolarHBondContact O-NE2 3.19Å; H453-E455 VanDerWaalsContact C-N 3.33Å; H453-E455 PolarHBondContact O-N 3.23Å; H453-C456 HydrophobicContact CB-CB 4.14Å; H453-C456 PolarHBondContact O-N 3.21Å; H453-F457 PolarHBondContact O-N 3.42Å; H453-F457 VanDerWaalsContact O-N 3.16Å
454L85.7Confident77.9Confident41 Ų4187.3 Ų87.322%0.21549%0.485CS..THydrogen-bonded Turntrans-59-46.1-179.3-55.9-178.2000111.2R443 V445 F457 G458 V459 T461R443-L454 HydrophobicContact CB-CD1 3.85Å; R443-L454 HydrophobicContact CB-CG 4.35Å; V445-L454 HydrophobicContact CG2-CD2 3.72Å; L454-F457 PolarHBondContact O-N 2.85Å; L454-G458 PolarHBondContact O-N 2.73Å; L454-V459 HydrophobicContact CB-CB 4.34Å; L454-V459 PolarHBondContact O-N 3.35Å; L454-T461 HydrophobicContact CB-CG2 3.94Å; L454-T461 HydrophobicContact CD1-CG2 3.46Å; L454-T461 VanDerWaalsContact CD1-CG2 3.46Å; L454-T461 HydrophobicContact CG-CG2 4.33Å
455E85.4Confident76Confident162 Ų16288 Ų8876%0.75750%0.499SS*.G310 helixtrans-57.4-47.8174-58.7175166.800112.4H453 F457 G458H453-E455 VanDerWaalsContact C-N 3.33Å; H453-E455 PolarHBondContact O-N 3.23Å; E455-F457 PolarHBondContact O-N 3.16Å; E455-G458 PolarHBondContact O-N 2.86Å
456C85.7Confident74.1Confident44 Ų4494.1 Ų94.130%0.29753%0.53SS..G310 helixtrans-70.3-9.6-178.9-620000114.3H453H453-C456 HydrophobicContact CB-CB 4.14Å; H453-C456 PolarHBondContact O-N 3.21Å
457F85.1Confident72Confident94 Ų9496.8 Ų96.841%0.41254%0.541SS..G310 helixtrans-100.4-1.1169.6-161.5-94.1000112.2V445 Y452 H453 L454 E455 V459V445-F457 HydrophobicContact CB-CB 4.1Å; V445-F457 HydrophobicContact CB-CD1 4.32Å; V445-F457 HydrophobicContact CB-CD2 4.2Å; V445-F457 HydrophobicContact CB-CG 3.95Å; V445-F457 HydrophobicContact CG1-CD1 3.85Å; V445-F457 HydrophobicContact CG1-CD2 3.94Å; V445-F457 HydrophobicContact CG1-CE1 3.97Å; V445-F457 HydrophobicContact CG1-CE2 4.06Å; V445-F457 HydrophobicContact CG1-CG 3.84Å; V445-F457 HydrophobicContact CG1-CZ 4.07Å; V445-F457 HydrophobicContact CG2-CB 3.73Å; V445-F457 HydrophobicContact CG2-CD1 4.07Å; V445-F457 HydrophobicContact CG2-CG 3.9Å; Y452-F457 HydrophobicContact CD1-CD2 4.29Å; Y452-F457 AromaticContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CE2 4.35Å; Y452-F457 HydrophobicContact CE2-CD2 4.38Å; Y452-F457 HydrophobicContact CE2-CE2 4.49Å; Y452-F457 AromaticContact CG-CD2 3.87Å; Y452-F457 HydrophobicContact CG-CD2 3.87Å; H453-F457 PolarHBondContact O-N 3.42Å; H453-F457 VanDerWaalsContact O-N 3.16Å; L454-F457 PolarHBondContact O-N 2.85Å; E455-F457 PolarHBondContact O-N 3.16Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 HydrophobicContact CB-CG2 4.28Å; F457-V459 HydrophobicContact CD1-CG2 3.84Å
458G78.6Confident70.3Confident60 Ų60101.1 Ų101.162%0.61956%0.559SS**THydrogen-bonded Turntrans7714.2-17600000114.5L454 E455 Q460L454-G458 PolarHBondContact O-N 2.73Å; E455-G458 PolarHBondContact O-N 2.86Å; G458-Q460 PolarHBondContact O-N 3.38Å
459V72.8Confident67.9Low61 Ų61107.6 Ų107.637%0.3757%0.569SS.*  trans-74.9107.3176.7-176.60000109.3V445 L454 F457 T461V445-V459 HydrophobicContact CG2-CG2 3.82Å; L454-V459 HydrophobicContact CB-CB 4.34Å; L454-V459 PolarHBondContact O-N 3.35Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 HydrophobicContact CB-CG2 4.28Å; F457-V459 HydrophobicContact CD1-CG2 3.84Å; V459-T461 HydrophobicContact CG1-CG2 4.49Å; V459-T461 PolarHBondContact O-N 2.84Å
460Q57.9Low65.9Low191 Ų191105 Ų10589%0.89356%0.564SS**  trans-67101.5171.1-63.7-176.612.400110.1G458 L462G458-Q460 PolarHBondContact O-N 3.38Å; Q460-L462 PolarHBondContact O-N 2.93Å
461T57.1Low63.7Low80 Ų80109.2 Ų109.249%0.49159%0.59SS.*  trans-82.1106.4175.551.40000110.8L454 V459L454-T461 HydrophobicContact CB-CG2 3.94Å; L454-T461 HydrophobicContact CD1-CG2 3.46Å; L454-T461 VanDerWaalsContact CD1-CG2 3.46Å; L454-T461 HydrophobicContact CG-CG2 4.33Å; V459-T461 HydrophobicContact CG1-CG2 4.49Å; V459-T461 PolarHBondContact O-N 2.84Å
462L54.9Low61.6Low158 Ų158111.7 Ų111.783%0.82762%0.615SS**  trans-60.5130.9163.5-81167000109.2Q460 Q464Q460-L462 PolarHBondContact O-N 2.93Å; L462-Q464 PolarHBondContact O-N 2.99Å
463P50.4Low59.4Low95 Ų95118.9 Ų118.962%0.61765%0.648SS**  trans-66.9117.5-176.225.8-33.6000110.5N465P463-N465 PolarHBondContact O-N 3.3Å
464Q52Low57.2Low148 Ų148125.1 Ų125.169%0.69267%0.674SS**SBendtrans-76.850.9179-70.1-177.4-33.900112.3L462L462-Q464 PolarHBondContact O-N 2.99Å
465N44.2Very low55.1Low145 Ų145129.9 Ų129.978%0.77571%0.705SS**  trans-153.561.1169.2-138-89.5000113.2P463P463-N465 PolarHBondContact O-N 3.3Å
466L44.3Very low53.2Low157 Ų157127 Ų12782%0.82270%0.702SS**  trans-116.580164.3-75.9173.8000109.6
467N44.3Very low50.9Low138 Ų138128.2 Ų128.274%0.73872%0.722SS**  trans-76.3144.5160.9-162.5-3.6000108.5
468L52.2Low48.8Very low147 Ų147129.5 Ų129.577%0.7774%0.743SS**SBendtrans64.6106.5-175.8-88.459.7000118.1
469K37.5Very low47.1Very low200 Ų200134.9 Ų134.987%0.8776%0.756SS**  6675.5125.3-163.782.4174.3-171.20119.5
470S43.5Very low45.6Very low111 Ų111136.3 Ų136.378%0.77677%0.774SS**  -177128.4127.247.50000113.3
471P42.8Very low44.8Very low138 Ų138136.7 Ų136.790%0.89680%0.798SS**  trans-102.877.4173.636.8-30.4000112
472A44.7Very low44.2Very low83 Ų83139.5 Ų139.569%0.68681%0.813SS**  trans-164.7116.6164.500000112.2
473F41.8Very low43.6Very low201 Ų201138.5 Ų138.588%0.88281%0.812SS**  -163.1163.5125.5-127.4-101.2000111.6
474K41.4Very low43.3Very low173 Ų173140.9 Ų140.975%0.75282%0.823SS**  trans-65.7139.2-163.1-64.3173.7176.3177.70114.9
475V41Very low42.7Very low142 Ų142140.5 Ų140.586%0.86183%0.831SS**  trans-78.6142.4146.7175.80000108.1
476S45Very low42.7Very low101 Ų101140.3 Ų140.371%0.70683%0.834SS**  trans-156112.9174.2-70.10000111.9
477G36.5Very low42.5Very low69 Ų69139.1 Ų139.171%0.71184%0.835SS**  trans76.4150.5170.700000116
478S41Very low42.4Very low121 Ų121139.2 Ų139.285%0.84684%0.842SS**  cis-154.6138.4-14.9-74.20000109.1
479I43.6Very low41.7Very low173 Ų173138.6 Ų138.689%0.88785%0.847SS**  trans-125.2130.3160.8-56.3177.4000105.5
480A42.1Very low42Very low91 Ų91133.5 Ų133.575%0.75285%0.846SS**  trans-126.5129.4-178.400000109.5
481S40.9Very low41.9Very low199 Ų199135.5 Ų135.5100%1.39285%0.852SS**  trans59.40-179.7-60.60000115.8

Retrieved 481 of 481 residues in 293.3 ms (Link to these results)