A0A087YJ90_POEFO Loading...

Cortactin

AlphaFold DB , UniProt , Accession A0A087YJ90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low42.5Very low228 Ų228149.3 Ų149.3100%1.12384%0.837SS**  01200-81.5178.3-165.600108.6
2W35.9Very low43.2Very low219 Ų219147.1 Ų147.183%0.8383%0.829SS**  trans70.4139.6144.9-66.354.4000117.9
3K39.3Very low43.5Very low167 Ų167143.1 Ų143.173%0.72683%0.826SS**  cis-173.4136.4-13.5-149.4169.5178.5176.70107.5
4A43.8Very low44Very low95 Ų95141 Ų14179%0.78582%0.816SS**  trans14.7154.5151.500000126.1
5A44.9Very low44.2Very low102 Ų102141.7 Ų141.784%0.84382%0.816SS**  trans92.6139.6142.700000117.4
6A46.6Very low44.4Very low101 Ų101142.2 Ų142.284%0.83582%0.815SS**  cis-153.4151.724.200000112.3
7G40.5Very low44.5Very low80 Ų80137.6 Ų137.683%0.82581%0.806SS**PPolyproline II helixtrans-89151169.500000112.6
8Q48.7Very low44.1Very low198 Ų198134 Ų13493%0.92580%0.803SS**PPolyproline II helixtrans-103.8123.6170.8-105.5157.6-3700109.7
9N41.3Very low44Very low141 Ų141134.3 Ų134.375%0.75480%0.8SS**PPolyproline II helixtrans-91.7116.2178.7-176.1-10.7000108.3
10V49.9Very low44.5Very low122 Ų122135.1 Ų135.174%0.73980%0.8SS**  trans-92113.2173.1177.30000107.8V12V10-V12 HydrophobicContact CG1-CG2 4.2Å
11K42.8Very low45.2Very low189 Ų189138.5 Ų138.582%0.82280%0.799SS**  trans-82.4114.3169.1-65.3-178.5179.1-177.50108.1
12V50.5Low45.5Very low123 Ų123135.9 Ų135.975%0.74578%0.784SS**PPolyproline II helixtrans-98122.1162.3179.40000106.4V10V10-V12 HydrophobicContact CG1-CG2 4.2Å
13A47.6Very low45.7Very low95 Ų95132.3 Ų132.379%0.78579%0.787SS**PPolyproline II helixtrans-74.1127171.900000108.5
14V50.4Low45.8Very low114 Ų114131.5 Ų131.569%0.69179%0.79SS**PPolyproline II helixtrans-83.4120.7165.9174.70000105.8
15D46Very low46Very low152 Ų152132.4 Ų132.481%0.81379%0.788SS**  trans-90.5104.9170.5-168.3-107.4000107.1G17D15-G17 VanDerWaalsContact C-N 3.29Å; D15-G17 PolarHBondContact O-N 3.33Å
16D48.2Very low45.9Very low149 Ų149134.6 Ų134.680%0.79779%0.785SS**  trans-85.573.9170.7-75.2-69.8000108.5G18D16-G18 PolarHBondContact O-N 3.27Å; D16-G18 VanDerWaalsContact O-N 3.15Å
17G45.5Very low45.4Very low65 Ų65140 Ų14067%0.6779%0.791SS**  trans-74.992.9170.300000110.4D15D15-G17 VanDerWaalsContact C-N 3.29Å; D15-G17 PolarHBondContact O-N 3.33Å
18G37.3Very low45.3Very low72 Ų72143.7 Ų143.774%0.74279%0.786SS**  trans-59.6134.8174.300000112.6D16 D20D16-G18 PolarHBondContact O-N 3.27Å; D16-G18 VanDerWaalsContact O-N 3.15Å; G18-D20 PolarHBondContact O-N 2.79Å
19D43Very low45.1Very low139 Ų139141 Ų14174%0.74378%0.783SS**  trans-71.6101.1174.7-159.59.6000109W21D19-W21 PolarHBondContact O-N 2.85Å; D19-W21 VanDerWaalsContact OD1-CD1 3.25Å; D19-W21 PolarHBondContact OD1-NE1 3.13Å
20D54.2Low44.7Very low150 Ų150139.1 Ų139.180%0.80278%0.781SS**  trans-86.581.7179.9-170.55.4000109.5G18G18-D20 PolarHBondContact O-N 2.79Å
21W58.1Low44.8Very low208 Ų208139 Ų13979%0.78878%0.783SS**  trans-91.3130.8163.8-79.876.4000109.5D19D19-W21 PolarHBondContact O-N 2.85Å; D19-W21 VanDerWaalsContact OD1-CD1 3.25Å; D19-W21 PolarHBondContact OD1-NE1 3.13Å
22E41.1Very low44.4Very low173 Ų173135.5 Ų135.581%0.80878%0.782SS**  trans87.493.7169.7-56.1-169.2163.500117.8
23T40.6Very low43.5Very low143 Ų143135.2 Ų135.288%0.87779%0.786SS**  -162.699.6129.9-64.50000110.4
24D41.5Very low42.9Very low151 Ų151135.9 Ų135.981%0.80778%0.784SS**  trans-61.3158.6161.6-86-33000111.4
25P48.1Very low42.2Very low113 Ų113135.2 Ų135.273%0.73478%0.784SS**  -160.4165.269.139-15000119.5
26D41.7Very low41.8Very low148 Ų148135.9 Ų135.979%0.79179%0.787SS**  trans42.1109152.2-73.9-22.5000120.4
27F36.9Very low41.1Very low215 Ų215133 Ų13394%0.94378%0.778SS**  trans-119.4105.3149.1-144.5-94.2000110.7
28E37.8Very low40.4Very low157 Ų157138.3 Ų138.373%0.73479%0.785SS**  trans-61141-179.8-63.5-163.715800113.2
29V43.9Very low40Very low141 Ų141145.8 Ų145.886%0.85579%0.791SS**  trans-72.4123.2161.5167.10000108.7
30S33.6Very low39.7Very low103 Ų103144.7 Ų144.772%0.7279%0.794SS**  trans-129.4133.8162.7-88.10000111.8
31P52.2Low38.8Very low118 Ų118143.4 Ų143.477%0.76679%0.791SS**  trans-100.5129.8-172.436.4-28.6000111.7
32S33.5Very low37.8Very low117 Ų117140.2 Ų140.282%0.81879%0.79SS**  trans-166.6119.6155.3510000113.6
33S31.6Very low37.6Very low117 Ų117139 Ų13982%0.81879%0.793SS**  trans39.7110.5133.7-1750000119.5
34S34.9Very low37.2Very low108 Ų108140 Ų14076%0.75579%0.79SS**  173.3123.2100.7-174.90000110.5
35C37Very low36.8Very low101 Ų101138 Ų13868%0.68279%0.788SS**  trans-72.4174.9169.848.80000113
36L37.3Very low36.4Very low166 Ų166139.9 Ų139.987%0.86979%0.787SS**  trans93.3136170.2-53.8165.7000114.2
37S32.7Very low36.1Very low87 Ų87140.7 Ų140.761%0.60879%0.786SS**  cis-179.5139.62.71380000108.3
38H30.3Very low36Very low177 Ų177139.3 Ų139.382%0.81978%0.782SS**  trans60.2132.3149.4-70.395.5000122.8
39R31Very low36Very low230 Ų230138.1 Ų138.187%0.86878%0.78SS**  trans113.295.6130.6-142.6106.6167.3-117.5-1.2115.3
40S35.1Very low35.6Very low115 Ų115137.7 Ų137.780%0.80477%0.772SS**  trans-55.5133.4160.4-290000112.8
41V36.9Very low35.7Very low124 Ų124145.1 Ų145.175%0.75279%0.785SS**  trans-161.1117.9139.2-114.50000110.5
42D35.6Very low35.4Very low141 Ų141147.5 Ų147.575%0.75479%0.785SS**  trans49.7120.7141.3-52.7-24.8000122
43V37.9Very low36.2Very low146 Ų146150.8 Ų150.889%0.88579%0.788SS**  -165136.5102.71560000109.6
44M32.4Very low37.4Very low165 Ų165150.9 Ų150.981%0.81378%0.783SS**  trans-79.8157.5-165.5-51.6-163.9-58.200115.7
45S31.8Very low38.9Very low108 Ų108149.4 Ų149.476%0.75577%0.767SS**  166.290.1117.1-174.20000111
46E39.5Very low39.9Very low154 Ų154150.1 Ų150.172%0.7276%0.763SS**  81.789.4106.8-63.3-144162.900116.6
47H35.8Very low41Very low164 Ų164148.6 Ų148.676%0.75975%0.752SS**  175.985.3121.4-110.3-106.7000110.8
48H36.2Very low42.8Very low186 Ų186149.5 Ų149.586%0.86175%0.746SS**  trans-122.2104.9159.1-166.878.7000106.6
49L36.5Very low44.7Very low132 Ų132147.1 Ų147.169%0.69173%0.734SS**  trans-122.5109.3177.7-85.8163.8000109.8
50L36.3Very low46.7Very low133 Ų133140.9 Ų140.970%0.69672%0.717SS**  trans30.6113.3141.3-95.981.2000118Q52L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.26Å
51W35.8Very low48.7Very low259 Ų259137.5 Ų137.598%0.98169%0.693SS**  trans-59.598.7143.5-7375.7000108.2Q53W51-Q53 PolarHBondContact O-N 3.16Å
52Q45.4Very low50.9Low168 Ų168138.1 Ų138.179%0.78569%0.685SS**  trans-63.3117.7167.9-80.5-178.15.200108.2L50 V54L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.26Å; Q52-V54 PolarHBondContact O-N 3.05Å
53Q50.7Low53.1Low185 Ų185134.2 Ų134.286%0.86467%0.667SS**  trans-45.4108157.5-169.689.74.100107.9W51 D55W51-Q53 PolarHBondContact O-N 3.16Å; Q53-D55 PolarHBondContact O-N 3.18Å
54V55.8Low55.2Low120 Ų120133.8 Ų133.873%0.72765%0.653SS**  trans-64.9105.8174.3175.30000106.9Q52 L56Q52-V54 PolarHBondContact O-N 3.05Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.78Å
55D66.7Low57.5Low77 Ų77133.4 Ų133.441%0.41265%0.647SS.*  trans-7089.6174.8-1763.3000108.5Q53 H57 Q58 F59Q53-D55 PolarHBondContact O-N 3.18Å; D55-H57 PolarHBondContact O-N 3.21Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.01Å; D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 WeakPolarHBondContact O-CB 3.49Å; D55-Q58 PolarHBondContact O-N 3.17Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.47Å; D55-Q58 PolarHBondContact OD2-NE2 3.28Å; D55-F59 PolarHBondContact O-N 3.13Å
56L58.5Low59.9Low115 Ų115137.2 Ų137.260%0.60265%0.645SS**Hα-helixtrans-51.6-30.4-179.8-176.462.5000111.7V54 F59 I60V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.78Å; L56-F59 PolarHBondContact O-N 2.93Å; L56-I60 HydrophobicContact CD1-CD1 4.42Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.74Å
57H60.9Low61.5Low135 Ų135134.6 Ų134.663%0.62564%0.636SS**Hα-helixtrans-70.4-35.9178.5-165.4-91.8000112.7D55 S61D55-H57 PolarHBondContact O-N 3.21Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.01Å; H57-S61 VanDerWaalsContact O-CB 3.28Å; H57-S61 WeakPolarHBondContact O-CB 3.44Å; H57-S61 PolarHBondContact O-N 2.9Å; H57-S61 PolarHBondContact O-OG 2.74Å
58Q69.1Low63.6Low105 Ų105130.2 Ų130.249%0.49162%0.618SS.*Hα-helixtrans-68.6-35171.4-90.2-1776100112.3D55 K62D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 WeakPolarHBondContact O-CB 3.49Å; D55-Q58 PolarHBondContact O-N 3.17Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.47Å; D55-Q58 PolarHBondContact OD2-NE2 3.28Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.29Å; Q58-K62 PolarHBondContact O-N 3.25Å
59F71.6Confident65.7Low128 Ų128127.1 Ų127.156%0.56160%0.602SS**Hα-helixtrans-67.9-48.5176.7-168.4-98000111.4D55 L56 S61 K62 V63D55-F59 PolarHBondContact O-N 3.13Å; L56-F59 PolarHBondContact O-N 2.93Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.79Å; F59-K62 PolarHBondContact O-N 2.8Å; F59-K62 VanDerWaalsContact O-N 3.1Å; F59-V63 HydrophobicContact CD1-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 3.67Å; F59-V63 HydrophobicContact CZ-CG2 4.06Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 2.79Å
60I73.3Confident67.1Low99 Ų99125.3 Ų125.351%0.50859%0.593SS.*Hα-helixtrans-58.4-42.5175.2-66.9166.7000110.6L56 K62 V63 F64L56-I60 HydrophobicContact CD1-CD1 4.42Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.74Å; I60-K62 PolarHBondContact O-N 3.06Å; I60-V63 PolarHBondContact O-N 3.03Å; I60-F64 VanDerWaalsContact O-CB 3.27Å; I60-F64 WeakPolarHBondContact O-CB 3.25Å; I60-F64 PolarHBondContact O-N 3.17Å
61S75.9Confident68.8Low44 Ų44126.5 Ų126.531%0.30859%0.592SS.*Hα-helixtrans-64.2-37.8176.7-66.10000113H57 F59 K65H57-S61 VanDerWaalsContact O-CB 3.28Å; H57-S61 WeakPolarHBondContact O-CB 3.44Å; H57-S61 PolarHBondContact O-N 2.9Å; H57-S61 PolarHBondContact O-OG 2.74Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.79Å; S61-K65 WeakPolarHBondContact O-CB 3.43Å; S61-K65 VanDerWaalsContact O-CG 3.27Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.07Å; S61-K65 VanDerWaalsContact O-N 3.09Å
62K82.6Confident70.5Confident136 Ų136119.2 Ų119.259%0.59157%0.569SS**Hα-helixtrans-69.9-43.5176.5-77.4171.4-175.9171.70111.6Q58 F59 I60 K65 R66Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.29Å; Q58-K62 PolarHBondContact O-N 3.25Å; F59-K62 PolarHBondContact O-N 2.8Å; F59-K62 VanDerWaalsContact O-N 3.1Å; I60-K62 PolarHBondContact O-N 3.06Å; K62-K65 PolarHBondContact O-N 3.35Å; K62-R66 WeakPolarHBondContact O-CB 3.49Å; K62-R66 PolarHBondContact O-N 3.08Å
63V83.1Confident71.5Confident60 Ų60116.9 Ų116.936%0.36456%0.558SS.*Hα-helixtrans-63.2-43.5176.4172.40000110.7F59 I60 K65 R66 N67F59-V63 HydrophobicContact CD1-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 3.67Å; F59-V63 HydrophobicContact CZ-CG2 4.06Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 2.79Å; I60-V63 PolarHBondContact O-N 3.03Å; V63-K65 PolarHBondContact O-N 2.73Å; V63-R66 PolarHBondContact O-N 2.94Å; V63-N67 WeakPolarHBondContact O-CB 3.4Å; V63-N67 PolarHBondContact O-N 2.95Å
64F82.3Confident71.9Confident137 Ų137118.2 Ų118.260%0.60156%0.555SS**Hα-helixtrans-63.7-41.2177.5-173.7-99000112.7I60 N68I60-F64 VanDerWaalsContact O-CB 3.27Å; I60-F64 WeakPolarHBondContact O-CB 3.25Å; I60-F64 PolarHBondContact O-N 3.17Å; F64-N68 WeakPolarHBondContact CD1-ND2 3.45Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.37Å; F64-N68 VanDerWaalsContact CZ-ND2 3.28Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.28Å; F64-N68 PolarHBondContact O-N 3.22Å; F64-N68 PolarHBondContact O-ND2 2.7Å
65K80.8Confident72Confident157 Ų157116.8 Ų116.868%0.68355%0.551SS**Hα-helixtrans-65.1-41.6174.5-75.1175-176.7-179.60111.8S61 K62 V63 N68 F69S61-K65 WeakPolarHBondContact O-CB 3.43Å; S61-K65 VanDerWaalsContact O-CG 3.27Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.07Å; S61-K65 VanDerWaalsContact O-N 3.09Å; K62-K65 PolarHBondContact O-N 3.35Å; V63-K65 PolarHBondContact O-N 2.73Å; K65-N68 PolarHBondContact O-N 3.24Å; K65-F69 WeakPolarHBondContact O-CB 3.39Å; K65-F69 PolarHBondContact O-N 3.15Å
66R81.4Confident71.7Confident188 Ų188122.7 Ų122.771%0.70957%0.567SS**Hα-helixtrans-65.7-41.2177.6-176.2168.3160.1123.8-6.6112.1K62 V63 F69 L70K62-R66 WeakPolarHBondContact O-CB 3.49Å; K62-R66 PolarHBondContact O-N 3.08Å; V63-R66 PolarHBondContact O-N 2.94Å; R66-F69 PolarHBondContact O-N 3.04Å; R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.32Å
67N73.7Confident71.3Confident99 Ų99120.4 Ų120.453%0.52956%0.56SS.*Hα-helixtrans-65.4-40.1175.7-90.4-30.9000112.7V63 L70 K71V63-N67 WeakPolarHBondContact O-CB 3.4Å; V63-N67 PolarHBondContact O-N 2.95Å; N67-L70 PolarHBondContact O-N 3.18Å; N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 PolarHBondContact O-N 3.5Å
68N78.8Confident70.6Confident71 Ų71119.5 Ų119.538%0.3857%0.567SS.*Hα-helixtrans-66.5-40.1174-82.5-61000112.2F64 K65 L70 K71 E72F64-N68 WeakPolarHBondContact CD1-ND2 3.45Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.37Å; F64-N68 VanDerWaalsContact CZ-ND2 3.28Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.28Å; F64-N68 PolarHBondContact O-N 3.22Å; F64-N68 PolarHBondContact O-ND2 2.7Å; K65-N68 PolarHBondContact O-N 3.24Å; N68-L70 PolarHBondContact O-N 3.1Å; N68-K71 PolarHBondContact O-N 3.48Å; N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 3.27Å
69F79.6Confident69.7Low121 Ų121123.5 Ų123.553%0.53158%0.582SS.*Hα-helixtrans-61.8-42.4176-179.1-99.3000112.6K65 R66 K71 E72 Q73K65-F69 WeakPolarHBondContact O-CB 3.39Å; K65-F69 PolarHBondContact O-N 3.15Å; R66-F69 PolarHBondContact O-N 3.04Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.94Å; F69-E72 PolarHBondContact O-N 2.89Å; F69-Q73 HydrophobicContact CE1-CG 4.07Å; F69-Q73 VanDerWaalsContact CE1-NE2 3.32Å; F69-Q73 HydrophobicContact CZ-CG 4.21Å; F69-Q73 PolarHBondContact O-N 2.86Å
70L67.8Low68.2Low95 Ų95124.5 Ų124.550%0.49759%0.589SS.*Hα-helixtrans-63.2-40.7174.4-104.481.2000112R66 N67 N68 E72 Q73 R74R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.32Å; N67-L70 PolarHBondContact O-N 3.18Å; N68-L70 PolarHBondContact O-N 3.1Å; L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.2Å; L70-Q73 PolarHBondContact O-N 3.23Å; L70-R74 WeakPolarHBondContact O-CB 3.5Å; L70-R74 PolarHBondContact O-N 2.89Å
71K71Confident66.6Low157 Ų157126.7 Ų126.768%0.68360%0.602SS**Hα-helixtrans-65-36.9178.2-158.8172-175.4177.10111.4N67 N68 F69 R74 S75N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 PolarHBondContact O-N 3.5Å; N68-K71 PolarHBondContact O-N 3.48Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.94Å; K71-R74 PolarHBondContact O-N 3.43Å; K71-S75 PolarHBondContact O-N 2.89Å; K71-S75 VanDerWaalsContact O-N 3.1Å
72E70.7Confident64.4Low107 Ų107134.3 Ų134.350%0.563%0.625SS.*Hα-helixtrans-73.4-38.3176.9-159.5165.5-173.700112.1N68 F69 L70 R74 S75 R76N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 3.27Å; F69-E72 PolarHBondContact O-N 2.89Å; L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.2Å; E72-R74 PolarHBondContact O-N 2.79Å; E72-S75 WeakPolarHBondContact CA-OG 3.29Å; E72-S75 PolarHBondContact O-N 2.79Å; E72-S75 PolarHBondContact O-OG 2.97Å; E72-R76 PolarHBondContact O-N 3.14Å
73Q66.4Low62.1Low118 Ų118133.5 Ų133.555%0.55163%0.631SS**Hα-helixtrans-60.7-42.5169.5-83.7-160.5-6.700112.4F69 L70 S75 R76 S77F69-Q73 HydrophobicContact CE1-CG 4.07Å; F69-Q73 VanDerWaalsContact CE1-NE2 3.32Å; F69-Q73 HydrophobicContact CZ-CG 4.21Å; F69-Q73 PolarHBondContact O-N 2.86Å; L70-Q73 PolarHBondContact O-N 3.23Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-R76 PolarHBondContact O-N 2.83Å; Q73-R76 VanDerWaalsContact O-N 3.15Å; Q73-S77 PolarHBondContact O-N 3.3Å; Q73-S77 VanDerWaalsContact O-N 3.13Å
74R59.7Low59.8Low214 Ų214137.9 Ų137.981%0.80865%0.653SS**Hα-helixtrans-68.9-20.2176.9-157.8174.4-174-163.52.6113.1L70 K71 E72 S77L70-R74 WeakPolarHBondContact O-CB 3.5Å; L70-R74 PolarHBondContact O-N 2.89Å; K71-R74 PolarHBondContact O-N 3.43Å; E72-R74 PolarHBondContact O-N 2.79Å; R74-S77 PolarHBondContact O-OG 3.32Å
75S57.7Low57.5Low90 Ų90138.6 Ų138.663%0.62967%0.668SS**Hα-helixtrans-86.6-20.3172.977.70000113.7K71 E72 Q73K71-S75 PolarHBondContact O-N 2.89Å; K71-S75 VanDerWaalsContact O-N 3.1Å; E72-S75 WeakPolarHBondContact CA-OG 3.29Å; E72-S75 PolarHBondContact O-N 2.79Å; E72-S75 PolarHBondContact O-OG 2.97Å; Q73-S75 PolarHBondContact O-N 2.89Å
76R61.3Low55.4Low201 Ų201137.8 Ų137.876%0.75867%0.671SS**Hα-helixtrans-97.5-7.8179.4-87-179.2168.1177.3-0.9114.2E72 Q73E72-R76 PolarHBondContact O-N 3.14Å; Q73-R76 PolarHBondContact O-N 2.83Å; Q73-R76 VanDerWaalsContact O-N 3.15Å
77S49Very low53Low66 Ų66136.8 Ų136.846%0.46267%0.674SS.*SBendtrans-74.1133.2170.853.60000110.6Q73 R74 K79Q73-S77 PolarHBondContact O-N 3.3Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; R74-S77 PolarHBondContact O-OG 3.32Å; S77-K79 PolarHBondContact O-N 3.05Å; S77-K79 VanDerWaalsContact O-N 3.17Å
78P47.4Very low51.1Low116 Ų116140.3 Ų140.375%0.75369%0.692SS**  trans-62.3119.3175.8-2031.4000110.2Q80P78-Q80 PolarHBondContact O-N 2.85Å
79K50.3Low48.9Very low189 Ų189146.2 Ų146.282%0.82272%0.717SS**  trans-66.799169.1-68.6179.2179.6175.10108.4S77 N81S77-K79 PolarHBondContact O-N 3.05Å; S77-K79 VanDerWaalsContact O-N 3.17Å; K79-N81 PolarHBondContact O-N 3.03Å
80Q40Very low46.7Very low150 Ų150148.2 Ų148.270%0.70173%0.733SS**  trans-75.8101.4169.3-69.4-152.2-13.400109.3P78 Y82P78-Q80 PolarHBondContact O-N 2.85Å; Q80-Y82 HydrophobicContact CB-CE2 4.46Å
81N38.9Very low45.2Very low145 Ų145150.4 Ų150.478%0.77575%0.745SS**  trans-82.2112.3164.1-73.8-40.1000108K79K79-N81 PolarHBondContact O-N 3.03Å
82Y31.2Very low43.5Very low204 Ų204149.8 Ų149.880%0.875%0.745SS**  trans-93.195.3165.3-89-88000109.2Q80Q80-Y82 HydrophobicContact CB-CE2 4.46Å
83T33.1Very low41.8Very low118 Ų118155 Ų15572%0.72476%0.76SS**  trans-151.7117.6150.437.10000110.2
84N33.9Very low40.4Very low152 Ų152156.5 Ų156.581%0.81377%0.772SS**  trans71.5121.6151.1-55.7-25.6000121.8
85V34.8Very low39.4Very low153 Ų153151.5 Ų151.593%0.92778%0.777SS**  trans-136.2112.4143.9-179.70000109.1
86L36.4Very low38.4Very low139 Ų139151.2 Ų151.273%0.72878%0.779SS**  trans-90.6155.5163.1-88.7165.4000110
87H32.5Very low37.3Very low167 Ų167146.6 Ų146.677%0.77378%0.778SS**  trans105.6101.6154.3-50.8103.3000117.5
88L32.9Very low36.9Very low174 Ų174148.5 Ų148.591%0.91180%0.798SS**  -156.493125-144.281.6000110.2
89E32.4Very low36.5Very low195 Ų195149.2 Ų149.291%0.91180%0.8SS**  trans-171.995.3140.8-111.9174.4171.800108.9
90N34.5Very low35.6Very low162 Ų162143 Ų14387%0.86679%0.789SS**  trans-89.8114.8156.4-109.5-10.3000105.4
91D34.3Very low35.1Very low142 Ų142143.8 Ų143.876%0.75979%0.792SS**  trans-166128.3132.4-104.9-17.7000113.3
92Q35.8Very low35.1Very low144 Ų144143 Ų14367%0.67379%0.788SS**  trans67.788.3153.8-57.7174.726.600118.4
93R35.3Very low35.4Very low216 Ų216144.5 Ų144.582%0.81579%0.794SS**  169.7142.5106.2-92.5171.1177.9100.4-2.2111.2
94N37.5Very low35.8Very low149 Ų149147.4 Ų147.480%0.79780%0.799SS**  trans8263.2160.3-59.8-12.9000117.3A96N94-A96 PolarHBondContact O-N 3.25Å
95A38.2Very low36.1Very low110 Ų110144.9 Ų144.991%0.90979%0.794SS**  trans-63.9106.3133.400000109.3
96A37.8Very low36.9Very low83 Ų83147.1 Ų147.169%0.68679%0.791SS**  trans-159.1106.1155.800000109.8N94N94-A96 PolarHBondContact O-N 3.25Å
97S36.3Very low37.2Very low104 Ų104148.1 Ų148.173%0.72780%0.796SS**  trans44.8111.4139.9-53.20000118.2
98A41.7Very low38.1Very low107 Ų107144.9 Ų144.988%0.88479%0.793SS**  49.36571.500000113.8
99V38.7Very low38.6Very low130 Ų130146.3 Ų146.379%0.78879%0.791SS**  trans-153117.2156.8-1740000103.7
100G31.5Very low38.7Very low58 Ų58144.4 Ų144.460%0.59878%0.782SS**  95.6122.96400000109.4
101H30.3Very low39.4Very low167 Ų167142.8 Ų142.877%0.77378%0.782SS**  trans80.8118.8153.2-70-79.8000121.3
102D38Very low40.2Very low130 Ų130141.6 Ų141.670%0.69579%0.785SS**  47.7108.2121.6-52.3-23.2000117.5
103Y36.6Very low41Very low234 Ų234143.3 Ų143.392%0.91879%0.793SS**  trans-141.4105.2136.5-123.7-92000111S105Y103-S105 PolarHBondContact O-N 3.17Å
104Q43.5Very low41.5Very low179 Ų179139.2 Ų139.284%0.83679%0.792SS**  trans-49.9115159.2-104.3166.9-4.700109.9
105S39Very low41.9Very low100 Ų100136.7 Ų136.770%0.69978%0.779SS**  trans-109.6114.615559.40000108.4Y103 L107Y103-S105 PolarHBondContact O-N 3.17Å; S105-L107 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact O-N 3.13Å
106K51.8Low42.4Very low200 Ų200138.8 Ų138.887%0.8778%0.781SS**  trans-64.5105.7177.9-63.7166.9-178.2170.70108.3
107L41.7Very low43Very low159 Ų159139.5 Ų139.583%0.83278%0.781SS**  trans-106123.1164.6-83163.7000109.4S105S105-L107 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact O-N 3.13Å
108S52Low43.8Very low100 Ų100143 Ų14370%0.69978%0.782SS**  trans-48.9133.8-178.8-1770000112.1H110S108-H110 PolarHBondContact O-N 2.68Å
109K42.8Very low43.9Very low203 Ų203140.9 Ų140.988%0.88377%0.772SS**  trans-71.2112.2172.5-66.1-179.6179.4179.50108.7
110H36Very low44.1Very low156 Ų156145.3 Ų145.372%0.72278%0.781SS**  trans-73142.1167.6-82.6-94.6000110.5S108 S112S108-H110 PolarHBondContact O-N 2.68Å; H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.02Å
111C47.8Very low45.1Very low127 Ų127146.7 Ų146.786%0.85880%0.795SS**THydrogen-bonded Turntrans-73.515.2-16254.20000117.1
112S52.2Low45.5Very low118 Ų118141.6 Ų141.683%0.82579%0.788SS**THydrogen-bonded Turntrans-96.73.7-175.856.40000114.9H110H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.02Å
113Q51.9Low45.9Very low179 Ų179143.9 Ų143.984%0.83679%0.791SS**SBendtrans-120.645.2-175.3-155.1168.836.500114
114T45.6Very low46.4Very low130 Ų130141.7 Ų141.780%0.79878%0.783SS**SBendtrans-15268.2164.153.40000111.1
115D46.5Very low46.5Very low97 Ų97136.8 Ų136.852%0.51978%0.78SS.*  trans-158.763.1153.7-142.5-14.5000112.7S117D115-S117 PolarHBondContact O-N 3.21Å; D115-S117 PolarHBondContact OD1-OG 2.88Å
116T49.4Very low47Very low154 Ų154138.9 Ų138.995%0.94579%0.788SS**THydrogen-bonded Turntrans-78.716.4169.648.30000112.7
117S49.9Very low46.9Very low98 Ų98137.5 Ų137.569%0.68579%0.785SS**THydrogen-bonded Turntrans-109.12-174.976.80000115D115D115-S117 PolarHBondContact O-N 3.21Å; D115-S117 PolarHBondContact OD1-OG 2.88Å
118K53.8Low47.4Very low176 Ų176133.7 Ų133.777%0.76578%0.777SS**SBendtrans-13538.8-176.9-74.1-179.8-175.9159.10114.7
119G43Very low47.6Very low64 Ų64136.1 Ų136.166%0.6678%0.782SS**SBendtrans-132.7125.8167.400000110.3
120F42.9Very low48.1Very low222 Ų222137.8 Ų137.897%0.97478%0.783SS**SBendtrans77.4102.3170.1-106.3-102.5000118.9
121G52.2Low48.8Very low88 Ų88135.3 Ų135.391%0.90778%0.778SS**  trans72.638.9137.800000119.5
122G39.8Very low48.5Very low60 Ų60135.3 Ų135.362%0.61977%0.77SS**  trans-107.8111.4179.600000115.9Y124G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.13Å
123K46Very low48.7Very low177 Ų177139.9 Ų139.977%0.7778%0.775SS**SBendtrans52.83.1154.688.1176.6-158.8-68.60122.4
124Y46.9Very low48.9Very low189 Ų189136.9 Ų136.974%0.74177%0.773SS**SBendtrans-137.2135.7167.5-63.8-75.8000109.8G122G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.13Å
125G46.2Very low49.1Very low76 Ų76134.7 Ų134.778%0.78477%0.769SS**PPolyproline II helixtrans-51.4150.1-164.800000115.8Q127G125-Q127 PolarHBondContact O-N 3.31Å
126V48.8Very low49.1Very low143 Ų143135.7 Ų135.787%0.86778%0.778SS**PPolyproline II helixtrans-58.7120172.9-178.70000108.9A128V126-A128 PolarHBondContact O-N 2.9Å
127Q48.4Very low48.7Very low171 Ų171131.2 Ų131.280%0.79976%0.762SS**PPolyproline II helixtrans-62.5122.5170.3-76.3171.8-28.500109G125 D129G125-Q127 PolarHBondContact O-N 3.31Å; Q127-D129 PolarHBondContact O-N 3.11Å; Q127-D129 VanDerWaalsContact O-N 3.15Å
128A53.8Low48.8Very low80 Ų80137.3 Ų137.366%0.66178%0.777SS**G310 helixtrans-72.90.2-176.300000114.4V126V126-A128 PolarHBondContact O-N 2.9Å
129D55.9Low48.7Very low151 Ų151138.1 Ų138.181%0.80778%0.784SS**G310 helixtrans-101.97.5-164.6-60-28.2000114.5Q127Q127-D129 PolarHBondContact O-N 3.11Å; Q127-D129 VanDerWaalsContact O-N 3.15Å
130R53Low48.6Very low238 Ų238144.8 Ų144.890%0.89879%0.79SS**G310 helixtrans-141.349.2172-73-170.6179.4171.4-1.1112.4
131V51.3Low49.2Very low103 Ų103139 Ų13962%0.62478%0.784SS**  trans-83114.1166.3-178.20000107.9K133V131-K133 PolarHBondContact O-N 2.93Å
132D41.7Very low48.8Very low128 Ų128136.7 Ų136.768%0.68476%0.759SS**  trans-57.7128.8170.9-74.8-40.6000110.1S134D132-S134 PolarHBondContact O-N 3.14Å
133K55.4Low49.5Very low214 Ų214143.8 Ų143.893%0.9377%0.774SS**THydrogen-bonded Turntrans-70.12.8-174.7-76.7174.6176.8170.30114.7V131V131-K133 PolarHBondContact O-N 2.93Å
134S55.6Low49.6Very low115 Ų115141.5 Ų141.580%0.80478%0.775SS**THydrogen-bonded Turntrans-1061.8-173510000114.6D132D132-S134 PolarHBondContact O-N 3.14Å
135A50.8Low50.1Low85 Ų85141.4 Ų141.470%0.70278%0.781SS**  trans-127.170.6178.300000112.2
136V46.6Very low50.2Low117 Ų117145.7 Ų145.771%0.70978%0.778SS**  trans-131.1117.6162.8-162.80000108
137G41.5Very low49.8Very low60 Ų60146.6 Ų146.662%0.61977%0.772SS**  trans-66.9174.1-176.700000114.7E139G137-E139 PolarHBondContact O-N 3.36Å
138F50.6Low49.9Very low227 Ų227143.4 Ų143.4100%0.99678%0.775SS**SBendtrans-66.235.8-176.9-85.9-92.5000115.9
139E53Low50Low193 Ų193145.1 Ų145.190%0.90278%0.782SS**  trans-138.673.1172.4-72.9-174167.800110.4G137G137-E139 PolarHBondContact O-N 3.36Å
140Y39.3Very low49.9Very low203 Ų203144.9 Ų144.980%0.79678%0.776SS**  trans-132.8100.8163.1-173.3-104.6000109.9G142Y140-G142 PolarHBondContact O-N 3.38Å
141A55.5Low49.7Very low101 Ų101142 Ų14284%0.83577%0.77SS**  trans-73.779.9168.100000109.4K143A141-K143 PolarHBondContact O-N 3.49Å
142G45.5Very low49.4Very low39 Ų39144 Ų14440%0.40278%0.777SS.*  trans-63.3113.7170.300000110.1Y140 T144Y140-G142 PolarHBondContact O-N 3.38Å; G142-T144 VanDerWaalsContact C-N 3.34Å; G142-T144 PolarHBondContact O-N 3.25Å
143K53.2Low49.7Very low210 Ų210149.1 Ų149.191%0.91379%0.789SS**  trans-62.296.2165.6-76.7168.3179.7166.70108.3A141 E145A141-K143 PolarHBondContact O-N 3.49Å; K143-E145 PolarHBondContact O-N 3.26Å
144T49.9Very low49.4Very low129 Ų129144.9 Ų144.979%0.79178%0.781SS**PPolyproline II helixtrans-64122.9166.815.40000109.1G142 K146G142-T144 VanDerWaalsContact C-N 3.34Å; G142-T144 PolarHBondContact O-N 3.25Å; T144-K146 PolarHBondContact O-N 3.39Å
145E55.7Low49.3Very low187 Ų187146.1 Ų146.187%0.87478%0.784SS**PPolyproline II helixtrans-56.6123.2166.3-80.2-176.3139.600109K143 H147K143-E145 PolarHBondContact O-N 3.26Å; E145-H147 PolarHBondContact O-N 2.91Å
146K48.3Very low48.9Very low165 Ų165145.6 Ų145.672%0.71779%0.787SS**PPolyproline II helixtrans-70128.5-179.8-64.3-178.1178.6-176.80109.9T144T144-K146 PolarHBondContact O-N 3.39Å
147H40.6Very low48.6Very low163 Ų163149.7 Ų149.776%0.75580%0.796SS**PPolyproline II helixtrans-54.1149.4169.6-71.7-90.1000111.8E145 S149 Q150E145-H147 PolarHBondContact O-N 2.91Å; H147-S149 PolarHBondContact O-N 3.46Å; H147-Q150 PolarHBondContact O-N 3.33Å
148A50.8Low49.2Very low104 Ų104151 Ų15186%0.8681%0.808SS**THydrogen-bonded Turntrans-65.25.8-17200000116.4
149S56.4Low49Very low115 Ų115143.4 Ų143.480%0.80480%0.795SS**THydrogen-bonded Turntrans-92.5-0.7175.357.30000114H147H147-S149 PolarHBondContact O-N 3.46Å
150Q54Low49Very low147 Ų147145.7 Ų145.769%0.68780%0.795SS**  trans-130.659.5179.1-156.6167.831.200111.8H147H147-Q150 PolarHBondContact O-N 3.33Å
151K48.9Very low49.7Very low176 Ų176146.6 Ų146.677%0.76580%0.799SS**SBendtrans-126.4134.4159.3-72.5-177.3-178.6175.60108
152D45.4Very low49.2Very low145 Ų145145.6 Ų145.678%0.77580%0.798SS**  trans-48.3133.2-167.4-62.5-62.6000115.6T154D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 HydrophobicContact CB-CG2 4.35Å; D152-T154 PolarHBondContact O-N 2.92Å
153Y46Very low49.5Very low236 Ų236150.3 Ų150.393%0.92582%0.819SS**  trans-64.489.5157.3-69.7-87.6000109.4
154T51.1Low49.3Very low125 Ų125147.6 Ų147.677%0.76781%0.809SS**  trans-1189.4168.839.20000113.6D152D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 HydrophobicContact CB-CG2 4.35Å; D152-T154 PolarHBondContact O-N 2.92Å
155T53.1Low49.5Very low142 Ų142145.5 Ų145.587%0.87181%0.805SS**SBendtrans-138.384.5169.253.30000111.1
156G41.7Very low49.6Very low74 Ų74143.8 Ų143.876%0.76380%0.802SS**SBendtrans177.893.7172.700000112.5
157F41.3Very low49.8Very low203 Ų203146.6 Ų146.689%0.8981%0.808SS**SBendtrans70.388.6164.7-139.8-98.2000117.9
158G53.9Low50.3Low86 Ų86143.9 Ų143.989%0.88780%0.803SS**  trans123.237.6154.500000119.1
159G45.4Very low49.9Very low69 Ų69145.2 Ų145.271%0.71180%0.795SS**SBendtrans-146.3111.7177.500000116Y161G159-Y161 PolarHBondContact O-N 3.5Å
160R52.7Low50Low240 Ų240149.5 Ų149.591%0.90680%0.802SS**SBendtrans52.7-10.2161.9-63.3-152.6-73.1-162.5-2.3123.2
161Y53.5Low50.1Low223 Ų223147.7 Ų147.788%0.87581%0.806SS**SBendtrans-146.4109.5171.7-69.6-84.7000112.8G159G159-Y161 PolarHBondContact O-N 3.5Å
162G45.4Very low50.3Low80 Ų80143.2 Ų143.283%0.82580%0.802SS**  trans75.9115.9153.800000118.2
163V53.2Low50.4Low137 Ų137143.3 Ų143.383%0.8381%0.807SS**  trans-73.4132.6169.7177.90000109.7A165V163-A165 PolarHBondContact O-N 3.22Å
164Q47.9Very low50.2Low154 Ų154134.9 Ų134.972%0.7279%0.793SS**  trans-61.9127.3168.4-73.5173.1-21.800109.6D166Q164-D166 PolarHBondContact O-N 3.06Å
165A55Low50Low84 Ų84139 Ų13969%0.69480%0.8SS**G310 helixtrans-68.5-1.8-17500000114.9V163V163-A165 PolarHBondContact O-N 3.22Å
166D58Low49.7Very low152 Ų152140.5 Ų140.581%0.81380%0.803SS**G310 helixtrans-99.411.6-167.7-60.2-28.2000114.3Q164Q164-D166 PolarHBondContact O-N 3.06Å
167R52.2Low49.6Very low224 Ų224146.9 Ų146.985%0.84581%0.805SS**G310 helixtrans-144.941.5173-67.5-171.6-172.9164.22.6113.5
168V50.3Low49.8Very low106 Ų106145.9 Ų145.964%0.64280%0.803SS**  trans-85.4116.3169.7179.80000108.9
169D42.6Very low49.6Very low131 Ų131143.6 Ų143.670%0.70178%0.78SS**  trans-56.3133.9171.6-94.1-39000111.2S171D169-S171 PolarHBondContact O-N 3.37Å
170Q58.7Low49.5Very low205 Ų205149.3 Ų149.396%0.95879%0.785SS**THydrogen-bonded Turntrans-729.2-178.7-77.9-152.4-21.400115.3
171S55.5Low49.2Very low109 Ų109143.3 Ų143.376%0.76278%0.775SS**THydrogen-bonded Turntrans-1057.8-174.850.90000114.7D169D169-S171 PolarHBondContact O-N 3.37Å
172A53.3Low49.2Very low82 Ų82142.1 Ų142.168%0.67878%0.778SS**  trans-128.256.7-175.900000114.4
173V48.3Very low49.5Very low147 Ų147145.8 Ų145.889%0.89177%0.771SS**  trans-144.4109.8150.3-157.10000109.6
174G41Very low48.9Very low60 Ų60146.4 Ų146.462%0.61977%0.765SS**  trans-81.5156.417300000112.7D176G174-D176 PolarHBondContact O-N 3.15Å
175F47.2Very low48.9Very low212 Ų212147.5 Ų147.593%0.9377%0.77SS**  trans37.374.7151.8-77.3-93.2000117.5
176D47.2Very low49Very low173 Ų173147.9 Ų147.993%0.92577%0.767SS**  trans-149.790.8133.7-95-33.1000109.1G174G174-D176 PolarHBondContact O-N 3.15Å
177Y38.9Very low48.7Very low207 Ų207146.7 Ų146.781%0.81276%0.757SS**  trans-77.5119.4174.5175.5-91.7000109.8
178Q45.8Very low48.7Very low182 Ų182145.8 Ų145.885%0.8576%0.759SS**  trans-13493.6143.6-74-161.94.400109.2
179G49.8Very low48.6Very low38 Ų38143.3 Ų143.339%0.39275%0.75SS.*  trans-64.8144.816400000111.1
180K44.1Very low49.1Very low189 Ų189143.4 Ų143.482%0.82275%0.75SS**  trans-165.197.4151-100.8152.8-165-178.40111.3
181T45.2Very low48.5Very low114 Ų114144.6 Ų144.670%0.69975%0.748SS**  trans73.9113.9137.7-24.70000118.9K183T181-K183 PolarHBondContact O-N 2.97Å
182E54.6Low48Very low198 Ų198144.2 Ų144.293%0.92575%0.751SS**  trans-52.9121.9159.9-77.7178.8142.800110.3
183K51.2Low48Very low157 Ų157148.4 Ų148.468%0.68375%0.754SS**  trans-106133.9172.7-70.5-178.6-178.9175.30109.6T181T181-K183 PolarHBondContact O-N 2.97Å
184H40Very low47.8Very low150 Ų150144.8 Ų144.869%0.69475%0.746SS**  trans-43.2150.3-176-147.3-94.7000115.4S186 Q187H184-S186 PolarHBondContact O-N 3.44Å; H184-Q187 PolarHBondContact O-N 3.28Å; H184-Q187 VanDerWaalsContact O-N 3.12Å
185E47.9Very low48.1Very low178 Ų178152.5 Ų152.583%0.83276%0.763SS**G310 helixtrans-57.9-8.6-177.3-74-169.5144.200115.8Q187E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 2.83Å
186S56.7Low48.4Very low92 Ų92146.3 Ų146.364%0.64376%0.759SS**G310 helixtrans-81.45.5173.654.50000114.8H184H184-S186 PolarHBondContact O-N 3.44Å
187Q53.2Low48.3Very low127 Ų127140.8 Ų140.859%0.59374%0.743SS**G310 helixtrans-111.68.5170.3-71177.730.400113.6H184 E185H184-Q187 PolarHBondContact O-N 3.28Å; H184-Q187 VanDerWaalsContact O-N 3.12Å; E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 2.83Å
188K51.3Low48.8Very low205 Ų205140.2 Ų140.289%0.89175%0.745SS**SBendtrans-98.74.6170-90.4-174.8178.7178.90113.9
189A49.1Very low49Very low54 Ų54140.1 Ų140.145%0.44674%0.742SS.*SBendtrans-110.6124.4175.400000110.4
190D51.2Low49.1Very low133 Ų133142.1 Ų142.171%0.71176%0.763SS**  trans67.375.5152-56.1-33.1000119.1
191Y46.5Very low49.5Very low230 Ų230139 Ų13990%0.90276%0.759SS**SBendtrans-131.732154.8-74.6-77.2000113.5
192A45.5Very low49.8Very low100 Ų100138.9 Ų138.983%0.82675%0.75SS**SBendtrans-125.112.8167.400000113.1
193K53.8Low49.9Very low171 Ų171134.7 Ų134.774%0.74374%0.738SS**SBendtrans-127.477.2167.4-76.9-175.5176.9179.20108.5
194G44.4Very low50.4Low70 Ų70134 Ų13472%0.72274%0.742SS**SBendtrans-172.4105-179.300000110.8
195F47.2Very low51.2Low222 Ų222135 Ų13597%0.97474%0.744SS**SBendtrans38.197.4153.8-113.4-99.7000118.3
196G52.7Low51.5Low82 Ų82131.1 Ų131.185%0.84573%0.733SS**  trans7577.8144.600000117
197G46.2Very low50.9Low58 Ų58132.8 Ų132.860%0.59874%0.735SS**SBendtrans-177.4118162.600000115.3F199G197-F199 VanDerWaalsContact C-N 3.25Å; G197-F199 PolarHBondContact O-N 2.9Å
198K48.8Very low51.2Low195 Ų195136.8 Ų136.885%0.84875%0.75SS**SBendtrans48.45.2162.373.6176.6-172.9-70.60121.6
199F50.1Low51.5Low180 Ų180132.3 Ų132.379%0.78974%0.744SS**SBendtrans-138.7138.7161.8-68-84.6000108.2G197G197-F199 VanDerWaalsContact C-N 3.25Å; G197-F199 PolarHBondContact O-N 2.9Å
200G50.7Low51.7Low80 Ų80133.8 Ų133.883%0.82576%0.756SS**  trans-48.7148.6-158.900000117.2E202G200-E202 PolarHBondContact O-N 2.92Å
201V53.3Low51.6Low122 Ų122132.9 Ų132.974%0.73976%0.756SS**  trans-66.7125.9172.7177.80000109.2T203V201-T203 PolarHBondContact O-N 2.93Å
202E51.8Low51.2Low113 Ų113125.1 Ų125.153%0.52875%0.745SS.*  trans-65.8107.9174-166.9172.5-164.200109G200 D204G200-E202 PolarHBondContact O-N 2.92Å; E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 2.82Å
203T57.2Low51.5Low109 Ų109130.4 Ų130.467%0.66975%0.75SS**G310 helixtrans-77.3-10.6-173.546.40000114.2V201 K205V201-T203 PolarHBondContact O-N 2.93Å; T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.09Å
204D60Low51.7Low142 Ų142131.1 Ų131.176%0.75976%0.756SS**G310 helixtrans-91.45.2-164.6-62.2-10.5000113.6E202E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 2.82Å
205K57.8Low51.5Low172 Ų172137.3 Ų137.375%0.74876%0.759SS**G310 helixtrans-135.823.1176.1-66.1-175.7-1791760113.9T203T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.09Å
206V53.6Low51.5Low97 Ų97135.6 Ų135.659%0.58875%0.754SS**  trans-85.9118.5172.3177.20000109.2K208V206-K208 PolarHBondContact O-N 2.8Å
207D44.4Very low51.5Low127 Ų127134.9 Ų134.968%0.67975%0.746SS**  trans-58.4131.7176.1-75.6-41.4000111.7S209 A210D207-S209 PolarHBondContact O-N 2.93Å; D207-A210 PolarHBondContact O-N 3.38Å
208K59.3Low51.5Low211 Ų211140.7 Ų140.792%0.91776%0.755SS**THydrogen-bonded Turntrans-65.53.2-178.5-82.1164.5176166.60115.1V206V206-K208 PolarHBondContact O-N 2.8Å
209S58.3Low51.5Low110 Ų110137.9 Ų137.977%0.76976%0.755SS**THydrogen-bonded Turntrans-109.4-1-177.550.70000114.5D207 V211D207-S209 PolarHBondContact O-N 2.93Å; S209-V211 PolarHBondContact O-N 2.83Å
210A52.6Low51.7Low85 Ų85138 Ų13870%0.70276%0.758SS**  trans-90.145.2173.700000112.7D207 G212D207-A210 PolarHBondContact O-N 3.38Å; A210-G212 PolarHBondContact O-N 2.9Å
211V49Very low51.8Low115 Ų115143.2 Ų143.270%0.69775%0.752SS**  trans-8691.3173.2-1730000108.4S209S209-V211 PolarHBondContact O-N 2.83Å
212G39.4Very low51.6Low66 Ų66144.5 Ų144.568%0.6875%0.75SS**  trans-72.2128.4164.500000110.1A210 E214A210-G212 PolarHBondContact O-N 2.9Å; G212-E214 VanDerWaalsContact C-N 3.26Å; G212-E214 PolarHBondContact O-N 3.36Å
213F51.9Low51.5Low212 Ų212147.1 Ų147.193%0.9376%0.762SS**SBendtrans-62.767.3-179.6-80.5-105.7000113.4
214E56.1Low51.3Low186 Ų186145.8 Ų145.887%0.86976%0.757SS**  trans-166.178.4166.8-137.6163.5-161.700112.3G212G212-E214 VanDerWaalsContact C-N 3.26Å; G212-E214 PolarHBondContact O-N 3.36Å
215Y40.5Very low51.1Low199 Ų199144.4 Ų144.478%0.7875%0.746SS**  trans-150.7107.9154.3-165.8-108.7000111.4
216Q47.1Very low50.7Low187 Ų187145.1 Ų145.187%0.87475%0.749SS**  trans-81119.5174-69.4-168.9-10.800110.7
217G52.6Low50.7Low66 Ų66143.5 Ų143.568%0.6875%0.746SS**  trans59.387.713100000118.5
218K46Very low50.9Low180 Ų180142.1 Ų142.178%0.78374%0.739SS**  trans-139.289.3135.8-67.3-175-175.8166.70108.3E220K218-E220 PolarHBondContact O-N 3.37Å
219T50.5Low50.2Low137 Ų137143.2 Ų143.284%0.8474%0.739SS**PPolyproline II helixtrans-50.1126.6164.19.20000108.7R221T219-R221 PolarHBondContact O-N 3.38Å; T219-R221 VanDerWaalsContact O-N 3.16Å
220E54.3Low49.7Very low182 Ų182144.6 Ų144.685%0.8574%0.743SS**PPolyproline II helixtrans-56.8121.4171.4-74.1-174136.600108.6K218 H222K218-E220 PolarHBondContact O-N 3.37Å; E220-H222 PolarHBondContact O-N 3.3Å
221R51.5Low49.7Very low190 Ų190147.3 Ų147.372%0.71774%0.738SS**PPolyproline II helixtrans-63.4126.4175.6-62.8171.287.2168.30.6107.2T219 Q225T219-R221 PolarHBondContact O-N 3.38Å; T219-R221 VanDerWaalsContact O-N 3.16Å; R221-Q225 HydrophobicContact CB-CB 4.23Å
222H49.7Very low49.6Very low149 Ų149144.7 Ų144.769%0.6974%0.735SS**PPolyproline II helixtrans-50.1149.3177.7-145.2-83.4000111.3E220 S224 Q225E220-H222 PolarHBondContact O-N 3.3Å; H222-S224 PolarHBondContact O-N 3.4Å; H222-Q225 PolarHBondContact O-N 2.99Å
223E49.5Very low50.1Low167 Ų167152 Ų15278%0.7875%0.748SS**G310 helixtrans-50.5-21.2-170.8-69.3176.514300115.5Q225 K226E223-Q225 PolarHBondContact O-N 3.38Å; E223-Q225 VanDerWaalsContact O-N 3.11Å; E223-K226 PolarHBondContact O-N 2.53Å
224S53.8Low50.1Low81 Ų81145.4 Ų145.457%0.56674%0.74SS**G310 helixtrans-64.1-5.6172.255.10000115.3H222H222-S224 PolarHBondContact O-N 3.4Å
225Q55.1Low49.9Very low113 Ų113139.4 Ų139.453%0.52873%0.728SS.*G310 helixtrans-118.94.1-179.6-63.7-179.835.300113.7R221 H222 E223R221-Q225 HydrophobicContact CB-CB 4.23Å; H222-Q225 PolarHBondContact O-N 2.99Å; E223-Q225 PolarHBondContact O-N 3.38Å; E223-Q225 VanDerWaalsContact O-N 3.11Å
226K50Low50.4Low187 Ų187139.8 Ų139.881%0.81373%0.733SS**THydrogen-bonded Turntrans-108.6-4.5171.7-90.5-177.3179.7174.50113.6E223E223-K226 PolarHBondContact O-N 2.53Å
227A53.1Low50.8Low64 Ų64140.1 Ų140.153%0.52973%0.732SS.*  trans-132.781.4-17600000110.8
228D48.5Very low50.9Low98 Ų98140.5 Ų140.552%0.52474%0.736SS.*  trans-157.6118.6160-82.1-40.5000105.9
229Y44.3Very low51.4Low233 Ų233136.8 Ų136.891%0.91473%0.728SS**SBend-139.11177.6-65.8-81000115
230V48.8Very low51.7Low140 Ų140135 Ų13585%0.84871%0.71SS**SBendtrans-97.7-10.2-174.9-175.60000112.7
231K51.6Low52Low141 Ų141131 Ų13161%0.61370%0.699SS**SBendtrans-128.667.3-176.2-69.3-177.8-178.6174.10111
232G47.6Very low52.4Low60 Ų60128.8 Ų128.862%0.61970%0.701SS**SBendtrans-147.7139175.100000110.9G234G232-G234 PolarHBondContact O-N 2.98Å
233F49Very low52.8Low221 Ų221131.7 Ų131.797%0.96971%0.706SS**SBendtrans-17.3112.2176.7-117.1-106.6000116.2
234G52.4Low53.2Low72 Ų72128 Ų12874%0.74269%0.689SS**SBendtrans5957.5148.200000118G232G232-G234 PolarHBondContact O-N 2.98Å
235G51.2Low53.1Low60 Ų60130 Ų13062%0.61969%0.693SS**  trans-139.9134.2167.900000113.3F237G235-F237 PolarHBondContact O-N 3.08Å
236K51.9Low53.4Low207 Ų207134.1 Ų134.190%0.971%0.709SS**SBendtrans36-14.1170.4-88-177.6-176.3-79.40122.5
237F54.7Low53.8Low195 Ų195130.6 Ų130.686%0.85571%0.708SS**SBendtrans-138.949.5-175.5-70-80.3000112.7G235G235-F237 PolarHBondContact O-N 3.08Å
238G54.5Low53.9Low73 Ų73130.4 Ų130.475%0.75371%0.706SS**  trans70.1144.3166.700000115.4
239V58.4Low54.3Low102 Ų102129.4 Ų129.462%0.61870%0.7SS**  trans-76.7134173.4178.10000108.4T241V239-T241 PolarHBondContact O-N 3.3Å; V239-T241 VanDerWaalsContact O-N 3.13Å
240Q56.5Low54.9Low101 Ų101120.9 Ų120.947%0.47268%0.683SS.*  trans-62.7109.7176.3-127-180-9.300109.9D242Q240-D242 VanDerWaalsContact C-N 3.32Å; Q240-D242 PolarHBondContact O-N 3.46Å
241T60.5Low55.1Low98 Ų98127.1 Ų127.160%0.60169%0.692SS**G310 helixtrans-72-25.6-177.546.90000113.3V239 R243 Q244V239-T241 PolarHBondContact O-N 3.3Å; V239-T241 VanDerWaalsContact O-N 3.13Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 2.96Å; T241-Q244 PolarHBondContact O-N 3.48Å
242D58.5Low55.3Low143 Ų143127.9 Ų127.977%0.76570%0.703SS**G310 helixtrans-80.4-7.6-167.7-52.2-19.8000113.9Q240Q240-D242 VanDerWaalsContact C-N 3.32Å; Q240-D242 PolarHBondContact O-N 3.46Å
243R58.3Low55.5Low209 Ų209129.9 Ų129.979%0.78970%0.696SS**G310 helixtrans-125.616.4175.9-86.4-174176171.1-2.5112.8T241 D245T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 2.96Å; R243-D245 PolarHBondContact O-N 3.5Å
244Q57.8Low56Low91 Ų91128 Ų12843%0.42569%0.69SS.*  trans-72119178.5-159.9167.816.500109.3T241 A248T241-Q244 PolarHBondContact O-N 3.48Å; Q244-A248 HydrophobicContact CG-CB 4.34Å
245D53.2Low56.4Low121 Ų121131.6 Ų131.665%0.64769%0.687SS**  trans-60.1137.6175-72.3-36.8000109.8R243 S247 A248R243-D245 PolarHBondContact O-N 3.5Å; D245-S247 PolarHBondContact O-N 3Å; D245-A248 WeakPolarHBondContact O-CB 3.43Å; D245-A248 PolarHBondContact O-N 3.34Å
246K59.8Low57Low201 Ų201138.2 Ų138.287%0.87470%0.699SS**G310 helixtrans-57.5-19-178.7-70-179.5176.6-176.40113.8
247S60Low57.4Low112 Ų112135.3 Ų135.378%0.78369%0.692SS**G310 helixtrans-85.9-6.917749.90000114.2D245D245-S247 PolarHBondContact O-N 3Å
248A55.2Low57.9Low60 Ų60134.5 Ų134.550%0.49669%0.691SS.*G310 helixtrans-98.69.9-179.700000113.7Q244 D245Q244-A248 HydrophobicContact CG-CB 4.34Å; D245-A248 WeakPolarHBondContact O-CB 3.43Å; D245-A248 PolarHBondContact O-N 3.34Å
249L55.5Low58.3Low77 Ų77134.8 Ų134.840%0.40368%0.675SS.*SBendtrans-82.3116.5166.5-71.4163.2000107H253L249-H253 HydrophobicContact CB-CB 3.79Å
250G56.6Low58.2Low54 Ų54137 Ų13756%0.55768%0.679SS**  trans-57.2169.2178.300000112.6D252 H253G250-D252 PolarHBondContact O-N 2.97Å; G250-H253 PolarHBondContact O-N 3.06Å
251W53.8Low58.2Low271 Ų271140 Ų140100%1.02769%0.693SS**THydrogen-bonded Turntrans-55.4-3.5-177-71.488000115.9
252D57.1Low58.2Low157 Ų157140.1 Ų140.184%0.8470%0.698SS**THydrogen-bonded Turntrans-97-1.3178.3-57.6-41.9000114G250 Q254G250-D252 PolarHBondContact O-N 2.97Å; D252-Q254 PolarHBondContact O-N 3.44Å
253H51Low58.2Low102 Ų102138.1 Ų138.147%0.47268%0.684SS.*  trans-76.595.3179.2-175.7-103.9000112L249 G250 E255L249-H253 HydrophobicContact CB-CB 3.79Å; G250-H253 PolarHBondContact O-N 3.06Å; H253-E255 PolarHBondContact O-N 2.87Å
254Q58.3Low58.3Low183 Ų183134.4 Ų134.486%0.85567%0.673SS**  trans-79.689.3167.5-69-175.6-12.300110.1D252 K256D252-Q254 PolarHBondContact O-N 3.44Å; Q254-K256 PolarHBondContact O-N 2.65Å; Q254-K256 VanDerWaalsContact O-N 3.14Å
255E62.8Low57.9Low146 Ų146133 Ų13368%0.68267%0.669SS**  trans-65.5111.1167-168173.1-173.600108.3H253 L257H253-E255 PolarHBondContact O-N 2.87Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.42Å
256K62.9Low58Low200 Ų200136.2 Ų136.287%0.8767%0.673SS**  trans-65.495.3170.8-76.2-179.6179.5174.70107.9Q254 Q258Q254-K256 PolarHBondContact O-N 2.65Å; Q254-K256 VanDerWaalsContact O-N 3.14Å; K256-Q258 PolarHBondContact O-N 3.04Å
257L60.8Low57.8Low145 Ų145130 Ų13076%0.75966%0.655SS**PPolyproline II helixtrans-46.7128173.6-73.7158.8000109.1E255 L259E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.42Å; L257-L259 PolarHBondContact O-N 2.77Å
258Q64.6Low57.6Low178 Ų178131.3 Ų131.383%0.83265%0.647SS**PPolyproline II helixtrans-57.6117.2174.6-71.1-175.2-0.400108.7K256 H260K256-Q258 PolarHBondContact O-N 3.04Å; Q258-H260 PolarHBondContact O-N 3.02Å
259L62.6Low57.5Low79 Ų79130.9 Ų130.941%0.41465%0.648SS.*PPolyproline II helixtrans-52131175.2-95.970.1000110.2L257 Q263 K264L257-L259 PolarHBondContact O-N 2.77Å; L259-Q263 HydrophobicContact CB-CB 4.22Å; L259-Q263 HydrophobicContact CD2-CB 3.8Å; L259-Q263 HydrophobicContact CD2-CG 3.48Å; L259-Q263 VanDerWaalsContact CD2-CG 3.48Å; L259-Q263 HydrophobicContact CG-CB 4.1Å; L259-Q263 HydrophobicContact CG-CG 4.09Å; L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 WeakPolarHBondContact O-CE 3.38Å; L259-K264 PolarHBondContact O-NZ 3.15Å
260H56.2Low57.3Low150 Ų150137.7 Ų137.769%0.69467%0.674SS**PPolyproline II helixtrans-59.5151.3174.8-145.3-85.3000109.6Q258 S262 Q263Q258-H260 PolarHBondContact O-N 3.02Å; H260-S262 PolarHBondContact O-N 3.12Å; H260-Q263 PolarHBondContact O-N 2.87Å
261E57.4Low57.2Low163 Ų163137.7 Ų137.776%0.76268%0.675SS**Hα-helixtrans-55.6-29.8-172.4-66.5-174.5156.700113.9Q263 K264 D265E261-Q263 PolarHBondContact O-N 3.08Å; E261-K264 PolarHBondContact O-N 2.99Å; E261-D265 PolarHBondContact O-N 3.33Å
262S59.4Low57.3Low101 Ų101127 Ų12771%0.70665%0.649SS**Hα-helixtrans-64.8-14174.653.50000114.8H260H260-S262 PolarHBondContact O-N 3.12Å
263Q59.8Low57Low101 Ų101129.3 Ų129.347%0.47265%0.651SS.*Hα-helixtrans-108.5-10.2179.4-153.3171.11000112.9L259 H260 E261 Y266L259-Q263 HydrophobicContact CB-CB 4.22Å; L259-Q263 HydrophobicContact CD2-CB 3.8Å; L259-Q263 HydrophobicContact CD2-CG 3.48Å; L259-Q263 VanDerWaalsContact CD2-CG 3.48Å; L259-Q263 HydrophobicContact CG-CB 4.1Å; L259-Q263 HydrophobicContact CG-CG 4.09Å; H260-Q263 PolarHBondContact O-N 2.87Å; E261-Q263 PolarHBondContact O-N 3.08Å; Q263-Y266 WeakPolarHBondContact O-CE2 3.15Å
264K58.8Low57.2Low130 Ų130132.1 Ų132.157%0.56566%0.662SS**Hα-helixtrans-91.9-25.9174.5-71.9174.3176.7156.70112.4L259 E261L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 WeakPolarHBondContact O-CE 3.38Å; L259-K264 PolarHBondContact O-NZ 3.15Å; E261-K264 PolarHBondContact O-N 2.99Å
265D51.1Low57.2Low62 Ų62125.8 Ų125.833%0.33265%0.647SS.*  trans-110.675.2-176.2-156-2.8000111.6E261 S267 K268E261-D265 PolarHBondContact O-N 3.33Å; D265-S267 PolarHBondContact O-N 2.79Å; D265-S267 WeakPolarHBondContact OD1-CB 3.26Å; D265-S267 PolarHBondContact OD1-N 2.62Å; D265-S267 PolarHBondContact OD1-OG 2.89Å; D265-K268 PolarHBondContact O-N 3.08Å; D265-K268 VanDerWaalsContact O-N 3.08Å; D265-K268 WeakPolarHBondContact OD2-CD 3.18Å
266Y54Low56.9Low189 Ų189122.6 Ų122.674%0.74164%0.637SS**THydrogen-bonded Turntrans-61.6-4.7171.7-68.3-80.1000113.2Q263Q263-Y266 WeakPolarHBondContact O-CE2 3.15Å
267S55.6Low56.7Low71 Ų71116.7 Ų116.750%0.49761%0.612SS.*THydrogen-bonded Turntrans-88.1-16.3174.9850000113.8D265D265-S267 PolarHBondContact O-N 2.79Å; D265-S267 WeakPolarHBondContact OD1-CB 3.26Å; D265-S267 PolarHBondContact OD1-N 2.62Å; D265-S267 PolarHBondContact OD1-OG 2.89Å
268K55.5Low56.7Low139 Ų139114.5 Ų114.560%0.60460%0.601SS**SBendtrans-123.972-178.9-72.5-177.1-176162.10111D265D265-K268 PolarHBondContact O-N 3.08Å; D265-K268 VanDerWaalsContact O-N 3.08Å; D265-K268 WeakPolarHBondContact OD2-CD 3.18Å
269G53Low56.6Low50 Ų50113.2 Ų113.252%0.51560%0.6SS.*SBendtrans-151.6144.4177.900000112G271G269-G271 PolarHBondContact O-N 3.17Å
270F52Low56.4Low220 Ų220119.5 Ų119.597%0.96562%0.619SS**THydrogen-bonded Turntrans-48105.4-176.5-155.4-98.6000112.3
271G55.3Low56.4Low55 Ų55115.8 Ų115.857%0.56760%0.602SS**THydrogen-bonded Turntrans67.940.6159.500000117.3G269G269-G271 PolarHBondContact O-N 3.17Å
272G54.3Low56.5Low47 Ų47112.8 Ų112.849%0.48559%0.591SS.*SBendtrans-102.1176.2163.500000112.7F274 G275G272-F274 PolarHBondContact O-N 2.85Å; G272-G275 PolarHBondContact O-N 3.22Å
273K52.3Low56.7Low205 Ų205118.7 Ų118.789%0.89160%0.604SS**THydrogen-bonded Turntrans-39.8-1.3178.941.5176.1176.8-92.60119.7
274F55.7Low56.8Low160 Ų160118.9 Ų118.970%0.70262%0.617SS**THydrogen-bonded Turntrans-118.313.3176.4-69.9-78.6000114.7G272G272-F274 PolarHBondContact O-N 2.85Å
275G56.7Low56.8Low51 Ų51115.1 Ų115.153%0.52661%0.61SS.*  trans86.1150.5170.900000113.8G272G272-G275 PolarHBondContact O-N 3.22Å
276V57.5Low57.3Low78 Ų78115.4 Ų115.447%0.47363%0.628SS.*  trans-71.8134.4176178.20000108.3D278 M281V276-D278 PolarHBondContact O-N 3.15Å; V276-D278 VanDerWaalsContact O-N 3.11Å; V276-M281 HydrophobicContact CB-CE 3.93Å; V276-M281 HydrophobicContact CG1-CE 4.09Å; V276-M281 HydrophobicContact CG1-CG 4.43Å
277Q58.4Low57.5Low76 Ų76111.4 Ų111.436%0.35561%0.614SS.*  trans-52.8116.4172.3-79.9175.3-18.700110.1D279 R280Q277-D279 PolarHBondContact O-N 2.69Å; Q277-D279 VanDerWaalsContact O-N 3.13Å; Q277-R280 PolarHBondContact O-N 3.49Å
278D60.2Low57.4Low99 Ų99116.1 Ų116.153%0.52963%0.626SS.*G310 helixtrans-59.2-24.5177.8-74.1-50.3000111.3V276 R280 M281 K287V276-D278 PolarHBondContact O-N 3.15Å; V276-D278 VanDerWaalsContact O-N 3.11Å; D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 3.28Å; D278-M281 PolarHBondContact O-N 3.04Å; D278-K287 IonicContact OD1-NZ 2.67Å; D278-K287 PolarHBondContact OD1-NZ 3.13Å; D278-K287 IonicContact OD2-NZ 3.4Å
279D62Low57.7Low151 Ų151117.2 Ų117.281%0.80763%0.633SS**G310 helixtrans-71.1-15.2-175.6-45-17.9000114.4Q277Q277-D279 PolarHBondContact O-N 2.69Å; Q277-D279 VanDerWaalsContact O-N 3.13Å
280R59Low58Low212 Ų212121.4 Ų121.480%0.864%0.644SS**G310 helixtrans-12316.4177-63.7-170.2-158.5-177.46.4113.3Q277 D278 D282Q277-R280 PolarHBondContact O-N 3.49Å; D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 3.28Å; R280-D282 PolarHBondContact O-N 3.11Å
281M57.3Low58.4Low71 Ų71117.1 Ų117.135%0.3563%0.63SS.*  trans-67.1125.5171.3-75.8-165.8173.300109.7V276 D278V276-M281 HydrophobicContact CB-CE 3.93Å; V276-M281 HydrophobicContact CG1-CE 4.09Å; V276-M281 HydrophobicContact CG1-CG 4.43Å; D278-M281 PolarHBondContact O-N 3.04Å
282D59.8Low58.9Low100 Ų100123.7 Ų123.754%0.53565%0.646SS.*  trans-68.4155.9166.367.340000109.8R280 S284 A285R280-D282 PolarHBondContact O-N 3.11Å; D282-S284 VanDerWaalsContact CG-OG 3.31Å; D282-S284 PolarHBondContact O-N 3.27Å; D282-S284 WeakPolarHBondContact OD1-CA 3.22Å; D282-S284 PolarHBondContact OD1-N 3.48Å; D282-S284 VanDerWaalsContact OD1-N 3.08Å; D282-S284 PolarHBondContact OD1-OG 3.38Å; D282-A285 PolarHBondContact O-N 2.94Å; D282-A285 WeakPolarHBondContact OD1-CB 3.5Å; D282-A285 PolarHBondContact OD1-N 3.09Å
283K63.6Low59.2Low226 Ų226129.2 Ų129.298%0.98366%0.657SS**THydrogen-bonded Turntrans-65-2.8-176.8-75.2174.6176.5173.90114.1
284S61.6Low59.7Low104 Ų104125.4 Ų125.473%0.72765%0.653SS**THydrogen-bonded Turntrans-105.3-11-178.637.30000113.7D282 G286D282-S284 VanDerWaalsContact CG-OG 3.31Å; D282-S284 PolarHBondContact O-N 3.27Å; D282-S284 WeakPolarHBondContact OD1-CA 3.22Å; D282-S284 PolarHBondContact OD1-N 3.48Å; D282-S284 VanDerWaalsContact OD1-N 3.08Å; D282-S284 PolarHBondContact OD1-OG 3.38Å; S284-G286 PolarHBondContact O-N 2.87Å
285A58.1Low59.7Low52 Ų52124.2 Ų124.243%0.4366%0.659SS.*  trans-9073.6178.100000111.5D282D282-A285 PolarHBondContact O-N 2.94Å; D282-A285 WeakPolarHBondContact OD1-CB 3.5Å; D282-A285 PolarHBondContact OD1-N 3.09Å
286G61.1Low59.9Low68 Ų68127.2 Ų127.270%0.70167%0.669SS**  trans-68.5147.8173.400000113S284S284-G286 PolarHBondContact O-N 2.87Å
287K58.8Low59.8Low105 Ų105129.9 Ų129.946%0.45769%0.691SS.*  trans-71.5144.2173.9-67.4178.7179.8177.60109.2D278 E289 D290D278-K287 IonicContact OD1-NZ 2.67Å; D278-K287 PolarHBondContact OD1-NZ 3.13Å; D278-K287 IonicContact OD2-NZ 3.4Å; K287-E289 PolarHBondContact O-N 2.8Å; K287-D290 PolarHBondContact O-N 3.33Å; K287-D290 VanDerWaalsContact O-N 3.14Å
288F54.3Low59.7Low170 Ų170134.9 Ų134.975%0.74671%0.708SS**G310 helixtrans-56.7-11.7178.6168.4-103000114
289E61.1Low59.8Low162 Ų162139.1 Ų139.176%0.75773%0.725SS**G310 helixtrans-81.2-14.7-179.5-70.8157.5165.800113.9K287K287-E289 PolarHBondContact O-N 2.8Å
290D59.7Low59.3Low138 Ų138140.4 Ų140.474%0.73872%0.723SS**G310 helixtrans-92.23.5-177.7-73.5-30.5000114.6K287 E292K287-D290 PolarHBondContact O-N 3.33Å; K287-D290 VanDerWaalsContact O-N 3.14Å; D290-E292 PolarHBondContact O-N 3.16Å
291L59.3Low59.2Low129 Ų129136.2 Ų136.268%0.67572%0.721SS**SBendtrans-77.9107.1167.2-83.2107.6000109.7K293L291-K293 PolarHBondContact O-N 2.93Å
292E65.4Low59.1Low193 Ų193142.3 Ų142.390%0.90275%0.746SS**  trans-46.7105.7165.9-90.1-175.5149.200110D290 P294D290-E292 PolarHBondContact O-N 3.16Å; E292-P294 WeakPolarHBondContact O-CD 3.08Å
293K62.3Low58.7Low164 Ų164142.9 Ų142.971%0.71376%0.755SS**PPolyproline II helixtrans-74.8120.7177.3-62.3179-174.9175.80108L291 T295L291-K293 PolarHBondContact O-N 2.93Å; K293-T295 PolarHBondContact O-N 2.85Å
294P61Low58.2Low124 Ų124139 Ų13981%0.80575%0.75SS**PPolyproline II helixtrans-60.3133.317522.8-30.7000109.8E292 P296E292-P294 WeakPolarHBondContact O-CD 3.08Å; P294-P296 WeakPolarHBondContact O-CD 3.36Å
295T57Low57.6Low136 Ų136142.2 Ų142.283%0.83475%0.753SS**PPolyproline II helixtrans-69.3123.4-177.348.80000110.3K293 S297K293-T295 PolarHBondContact O-N 2.85Å; T295-S297 PolarHBondContact O-N 3.06Å
296P60.7Low57.1Low114 Ų114144.9 Ų144.974%0.7478%0.775SS**PPolyproline II helixtrans-76.8127.4174.228.3-30.9000110.3P294 Y298P294-P296 WeakPolarHBondContact O-CD 3.36Å; P296-Y298 PolarHBondContact O-N 2.8Å
297S55.3Low56.4Low133 Ų133145.5 Ų145.593%0.9377%0.774SS**  trans-71.539.2173.91760000113.1T295T295-S297 PolarHBondContact O-N 3.06Å
298Y57.2Low56.1Low182 Ų182143.9 Ų143.971%0.71479%0.787SS**  trans-115.6110.8-177.7-168.8-98.2000110.7P296 K300P296-Y298 PolarHBondContact O-N 2.8Å; Y298-K300 HydrophobicContact CD1-CB 4.38Å; Y298-K300 HydrophobicContact CE1-CB 4.39Å; Y298-K300 HydrophobicContact CE1-CG 4.42Å; Y298-K300 PolarHBondContact O-N 3.42Å
299Q61Low56Low188 Ų188141.1 Ų141.188%0.87979%0.789SS**  trans-77.1102168.1-77.2-159.5-14.100109.4T301Q299-T301 PolarHBondContact O-N 2.76Å
300K51.6Low55.8Low177 Ų177137.2 Ų137.277%0.7778%0.779SS**PPolyproline II helixtrans-70.4123.7169.7-152.6171.1-172.51780108.4Y298 K302Y298-K300 HydrophobicContact CD1-CB 4.38Å; Y298-K300 HydrophobicContact CE1-CB 4.39Å; Y298-K300 HydrophobicContact CE1-CG 4.42Å; Y298-K300 PolarHBondContact O-N 3.42Å; K300-K302 PolarHBondContact O-N 3.47Å
301T56.6Low55.6Low124 Ų124136.3 Ų136.376%0.76178%0.779SS**PPolyproline II helixtrans-56125.9170.741.10000109Q299 P303Q299-T301 PolarHBondContact O-N 2.76Å; T301-P303 WeakPolarHBondContact O-CD 3.46Å
302K56.2Low55.8Low199 Ų199132.5 Ų132.587%0.86577%0.771SS**PPolyproline II helixtrans-62119.5175.3-66.1-177.8176.3-175.60108.3K300K300-K302 PolarHBondContact O-N 3.47Å
303P51.2Low56.1Low113 Ų113125.6 Ų125.673%0.73474%0.744SS**PPolyproline II helixtrans-66.8134.6157.915.4-4.2000107.1T301 E305T301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-E305 PolarHBondContact O-N 3.27Å; P303-E305 VanDerWaalsContact O-N 3.11Å
304V53.2Low56.6Low143 Ų143121.7 Ų121.787%0.86773%0.73SS**PPolyproline II helixtrans-53.9118171.9170.10000107.7A306V304-A306 PolarHBondContact O-N 2.78Å
305E48.2Very low57.6Low172 Ų172123.3 Ų123.380%0.80473%0.725SS**  trans-61.4103.6173-67-169.316300109.1P303 A307P303-E305 PolarHBondContact O-N 3.27Å; P303-E305 VanDerWaalsContact O-N 3.11Å; E305-A307 HydrophobicContact CB-CB 4.24Å; E305-A307 PolarHBondContact O-N 2.85Å
306A48.8Very low58.9Low108 Ų108119.1 Ų119.189%0.89370%0.704SS**  trans-83.664.7149.400000108V304V304-A306 PolarHBondContact O-N 2.78Å
307A46.3Very low60Low81 Ų81121.3 Ų121.367%0.66970%0.697SS**  trans-99.7136.3166.700000107.3E305E305-A307 HydrophobicContact CB-CB 4.24Å; E305-A307 PolarHBondContact O-N 2.85Å
308G51.5Low61.4Low71 Ų71121.6 Ų121.673%0.73268%0.682SS**  cis175.565.27.800000109.1
309S53.2Low62.9Low113 Ų113117.8 Ų117.879%0.7967%0.671SS**SBendtrans-104.6-7.5-173.9-162.10000114.9
310S55.4Low64.2Low79 Ų79113.3 Ų113.355%0.55265%0.653SS**Hα-helixtrans-88.4-33.3-169.1165.60000114.5G312 S313 I314S310-G312 PolarHBondContact O-N 2.92Å; S310-S313 PolarHBondContact O-N 3.19Å; S310-I314 WeakPolarHBondContact O-CG1 3.49Å; S310-I314 PolarHBondContact O-N 3.29Å
311T57.4Low66Low119 Ų119109.7 Ų109.773%0.7364%0.641SS**Hα-helixtrans-76-29.7-17056.80000113.7
312G63.2Low67.5Low50 Ų50106.6 Ų106.652%0.51563%0.628SS.*Hα-helixtrans-73.7-35.6174.200000113.3S310 A316S310-G312 PolarHBondContact O-N 2.92Å; G312-A316 WeakPolarHBondContact O-CB 3.44Å; G312-A316 PolarHBondContact O-N 3.21Å; G312-A316 VanDerWaalsContact O-N 3.11Å
313S70.3Confident69.3Low48 Ų48102.3 Ų102.334%0.33661%0.609SS.*Hα-helixtrans-68-37.3-179.6-170.70000111.9S310 R317S310-S313 PolarHBondContact O-N 3.19Å; S313-R317 WeakPolarHBondContact O-CG 3.27Å; S313-R317 PolarHBondContact O-N 2.78Å; S313-R317 VanDerWaalsContact O-N 3.1Å; S313-R317 PolarHBondContact OG-NE 2.96Å; S313-R317 PolarHBondContact OG-NH2 2.84Å
314I74.3Confident71.2Confident82 Ų82103.2 Ų103.242%0.42160%0.604SS.*Hα-helixtrans-71-43.5-179.9-65.5167.7000110.7S310 A316 R317 F318S310-I314 WeakPolarHBondContact O-CG1 3.49Å; S310-I314 PolarHBondContact O-N 3.29Å; I314-A316 PolarHBondContact O-N 2.68Å; I314-R317 PolarHBondContact O-N 3.48Å; I314-F318 HydrophobicContact CG2-CD2 3.67Å; I314-F318 HydrophobicContact CG2-CE2 3.42Å; I314-F318 VanDerWaalsContact CG2-CE2 3.42Å; I314-F318 WeakPolarHBondContact O-CD2 2.87Å; I314-F318 PolarHBondContact O-N 3.11Å
315K81.1Confident73.1Confident158 Ų158103 Ų10369%0.68759%0.591SS**Hα-helixtrans-63.4-39.9177.1-170.2171.3-179.2175.10112.6R317 F318 E319K315-R317 VanDerWaalsContact C-N 3.35Å; K315-F318 PolarHBondContact O-N 3.38Å; K315-E319 WeakPolarHBondContact O-CB 3.44Å; K315-E319 PolarHBondContact O-N 2.84Å
316A83.6Confident75.2Confident47 Ų47101.1 Ų101.139%0.38858%0.582SS.*Hα-helixtrans-65.4-36.7175.300000112.5G312 I314 E319 N320G312-A316 WeakPolarHBondContact O-CB 3.44Å; G312-A316 PolarHBondContact O-N 3.21Å; G312-A316 VanDerWaalsContact O-N 3.11Å; I314-A316 PolarHBondContact O-N 2.68Å; A316-E319 PolarHBondContact O-N 3.41Å; A316-N320 WeakPolarHBondContact O-CB 3.35Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.1Å
317R83.9Confident77.2Confident160 Ų160101.4 Ų101.460%0.60457%0.565SS**Hα-helixtrans-65.3-44.9174.3-71.2170.4-157.2-130.95.8111.6S313 I314 K315 E319 N320 I321S313-R317 WeakPolarHBondContact O-CG 3.27Å; S313-R317 PolarHBondContact O-N 2.78Å; S313-R317 VanDerWaalsContact O-N 3.1Å; S313-R317 PolarHBondContact OG-NE 2.96Å; S313-R317 PolarHBondContact OG-NH2 2.84Å; I314-R317 PolarHBondContact O-N 3.48Å; K315-R317 VanDerWaalsContact C-N 3.35Å; R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 2.88Å; R317-N320 PolarHBondContact O-N 2.96Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.29Å; R317-I321 PolarHBondContact O-N 3.34Å
318F85.9Confident79.4Confident140 Ų140102.4 Ų102.461%0.61456%0.556SS**Hα-helixtrans-63.7-39.3176.7-80.4-67.4000112.9I314 K315 N320 I321 A322I314-F318 HydrophobicContact CG2-CD2 3.67Å; I314-F318 HydrophobicContact CG2-CE2 3.42Å; I314-F318 VanDerWaalsContact CG2-CE2 3.42Å; I314-F318 WeakPolarHBondContact O-CD2 2.87Å; I314-F318 PolarHBondContact O-N 3.11Å; K315-F318 PolarHBondContact O-N 3.38Å; F318-N320 VanDerWaalsContact C-N 3.35Å; F318-I321 PolarHBondContact O-N 3.3Å; F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 2.98Å
319E87.8Confident81.4Confident101 Ų101103.3 Ų103.347%0.47254%0.544SS..Hα-helixtrans-66.5-37.5176.6-163.5-177.2148.800112K315 A316 R317 A322 K323K315-E319 WeakPolarHBondContact O-CB 3.44Å; K315-E319 PolarHBondContact O-N 2.84Å; A316-E319 PolarHBondContact O-N 3.41Å; R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 2.88Å; E319-A322 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact O-CG 3.35Å; E319-K323 PolarHBondContact O-N 2.64Å; E319-K323 WeakPolarHBondContact OE1-CE 3.35Å; E319-K323 IonicContact OE1-NZ 3.13Å; E319-K323 PolarHBondContact OE1-NZ 3.45Å
320N87.9Confident83.3Confident95 Ų95103.8 Ų103.851%0.50853%0.528SS..Hα-helixtrans-69.2-39.8175.2-75.3-12.8000112.4A316 R317 F318 A322 K323 Q324A316-N320 WeakPolarHBondContact O-CB 3.35Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.1Å; R317-N320 PolarHBondContact O-N 2.96Å; F318-N320 VanDerWaalsContact C-N 3.35Å; N320-A322 VanDerWaalsContact C-N 3.34Å; N320-K323 PolarHBondContact O-N 3.16Å; N320-Q324 WeakPolarHBondContact O-CB 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 3.32Å
321I89.8Confident85.3Confident100 Ų100107.5 Ų107.551%0.51353%0.53SS..Hα-helixtrans-64.2-41.5175.6-69.1165.8000110.5R317 F318 Q324 K325R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.29Å; R317-I321 PolarHBondContact O-N 3.34Å; F318-I321 PolarHBondContact O-N 3.3Å; I321-Q324 PolarHBondContact O-N 2.99Å; I321-K325 WeakPolarHBondContact O-CB 3.23Å; I321-K325 PolarHBondContact O-N 3.31Å
322A88.6Confident87.1Confident59 Ų59110 Ų11049%0.48853%0.526SS..Hα-helixtrans-63.1-44176.100000112.1F318 E319 N320 K325 E326F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 2.98Å; E319-A322 PolarHBondContact O-N 2.81Å; N320-A322 VanDerWaalsContact C-N 3.34Å; A322-K325 PolarHBondContact O-N 2.96Å; A322-E326 PolarHBondContact O-N 2.94Å
323K93.3Very high88.5Confident109 Ų109109.3 Ų109.347%0.47452%0.516SS..Hα-helixtrans-64.3-40.5176.3-75.5175.5-174.51640112.6E319 N320 E326 E327E319-K323 WeakPolarHBondContact O-CG 3.35Å; E319-K323 PolarHBondContact O-N 2.64Å; E319-K323 WeakPolarHBondContact OE1-CE 3.35Å; E319-K323 IonicContact OE1-NZ 3.13Å; E319-K323 PolarHBondContact OE1-NZ 3.45Å; N320-K323 PolarHBondContact O-N 3.16Å; K323-E326 PolarHBondContact O-N 3.06Å; K323-E327 WeakPolarHBondContact O-CB 3.49Å; K323-E327 PolarHBondContact O-N 3.33Å
324Q91.6Very high89.7Confident133 Ų133112.2 Ų112.262%0.62152%0.524SS*.Hα-helixtrans-63.7-41.2175.7-78-179.3-16.900111.8N320 I321 E327 E328N320-Q324 WeakPolarHBondContact O-CB 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 3.32Å; I321-Q324 PolarHBondContact O-N 2.99Å; Q324-E327 PolarHBondContact O-N 3.2Å; Q324-E328 WeakPolarHBondContact O-CB 3.32Å; Q324-E328 PolarHBondContact O-N 3.47Å
325K92.2Very high90.7Very high139 Ų139114.7 Ų114.760%0.60453%0.534SS*.Hα-helixtrans-65.8-44177.3-168.6173.9-178.41760112.1I321 A322 E327 E328 D329I321-K325 WeakPolarHBondContact O-CB 3.23Å; I321-K325 PolarHBondContact O-N 3.31Å; A322-K325 PolarHBondContact O-N 2.96Å; K325-E327 VanDerWaalsContact C-N 3.31Å; K325-E327 PolarHBondContact O-N 3.29Å; K325-E328 PolarHBondContact O-N 3.23Å; K325-D329 WeakPolarHBondContact O-CB 3.28Å; K325-D329 PolarHBondContact O-N 2.99Å
326E92.3Very high91.3Very high131 Ų131111.9 Ų111.961%0.61252%0.523SS*.Hα-helixtrans-62.4-38.9175.9-172.9-177.8174.800112.1A322 K323 R330A322-E326 PolarHBondContact O-N 2.94Å; K323-E326 PolarHBondContact O-N 3.06Å; E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-N 2.95Å
327E92.5Very high91.8Very high114 Ų114118 Ų11853%0.53354%0.536SS..Hα-helixtrans-70.5-37.7177.6-176.9153.8-131.400112.7K323 Q324 K325 R330 R331K323-E327 WeakPolarHBondContact O-CB 3.49Å; K323-E327 PolarHBondContact O-N 3.33Å; Q324-E327 PolarHBondContact O-N 3.2Å; K325-E327 VanDerWaalsContact C-N 3.31Å; K325-E327 PolarHBondContact O-N 3.29Å; E327-R330 PolarHBondContact O-N 3.41Å; E327-R330 IonicContact OE1-NH2 2.64Å; E327-R330 PolarHBondContact OE1-NH2 3.01Å; E327-R330 VanDerWaalsContact OE1-NH2 3.13Å; E327-R331 WeakPolarHBondContact O-CB 3.32Å; E327-R331 PolarHBondContact O-N 2.95Å
328E92.1Very high92.5Very high103 Ų103113.2 Ų113.248%0.48153%0.531SS..Hα-helixtrans-66.3-42.9174.1-172.6174.7-173.200111.9Q324 K325 R330 R331 R332Q324-E328 WeakPolarHBondContact O-CB 3.32Å; Q324-E328 PolarHBondContact O-N 3.47Å; K325-E328 PolarHBondContact O-N 3.23Å; E328-R330 VanDerWaalsContact C-N 3.35Å; E328-R331 PolarHBondContact O-N 3.5Å; E328-R332 WeakPolarHBondContact O-CB 3.28Å; E328-R332 PolarHBondContact O-N 3.39Å
329D92.4Very high93Very high89 Ų89116.1 Ų116.148%0.47654%0.538SS..Hα-helixtrans-63.9-41.4176.3-74.4-25.2000111.2K325 R332 A333K325-D329 WeakPolarHBondContact O-CB 3.28Å; K325-D329 PolarHBondContact O-N 2.99Å; D329-R332 PolarHBondContact O-N 3.22Å; D329-A333 WeakPolarHBondContact O-CB 3.11Å; D329-A333 PolarHBondContact O-N 3.23Å
330R94.6Very high93.3Very high124 Ų124119.2 Ų119.247%0.46855%0.545SS..Hα-helixtrans-61.6-45.9173-178.5173.564-147.50.3111.5E326 E327 E328 A333 E334E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-N 2.95Å; E327-R330 PolarHBondContact O-N 3.41Å; E327-R330 IonicContact OE1-NH2 2.64Å; E327-R330 PolarHBondContact OE1-NH2 3.01Å; E327-R330 VanDerWaalsContact OE1-NH2 3.13Å; E328-R330 VanDerWaalsContact C-N 3.35Å; R330-A333 PolarHBondContact O-N 3.11Å; R330-E334 WeakPolarHBondContact O-CB 3.46Å; R330-E334 WeakPolarHBondContact O-CG 3.27Å; R330-E334 PolarHBondContact O-N 3.44Å
331R96.1Very high93.7Very high156 Ų156119.8 Ų119.859%0.58955%0.545SS*.Hα-helixtrans-63-43.6178.2-171.8-176.970.4-165.7-3111.5E327 E328 A333 E334 E335E327-R331 WeakPolarHBondContact O-CB 3.32Å; E327-R331 PolarHBondContact O-N 2.95Å; E328-R331 PolarHBondContact O-N 3.5Å; R331-A333 VanDerWaalsContact C-N 3.35Å; R331-A333 PolarHBondContact O-N 3.39Å; R331-E334 PolarHBondContact O-N 3.49Å; R331-E335 WeakPolarHBondContact O-CB 3.38Å; R331-E335 PolarHBondContact O-N 2.89Å
332R95.4Very high94Very high171 Ų171117.1 Ų117.165%0.64554%0.538SS*.Hα-helixtrans-62.7-41.6176.6180-179.8-91.6-167.8-2.9111.4E328 D329 E335 E336E328-R332 WeakPolarHBondContact O-CB 3.28Å; E328-R332 PolarHBondContact O-N 3.39Å; D329-R332 PolarHBondContact O-N 3.22Å; R332-E335 PolarHBondContact O-N 3.45Å; R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 PolarHBondContact O-N 2.93Å
333A93.9Very high94.4Very high37 Ų37121.3 Ų121.331%0.30655%0.545SS..Hα-helixtrans-66.5-38.9176.500000112.4D329 R330 R331 R337D329-A333 WeakPolarHBondContact O-CB 3.11Å; D329-A333 PolarHBondContact O-N 3.23Å; R330-A333 PolarHBondContact O-N 3.11Å; R331-A333 VanDerWaalsContact C-N 3.35Å; R331-A333 PolarHBondContact O-N 3.39Å; A333-R337 VanDerWaalsContact O-CG 3.27Å; A333-R337 WeakPolarHBondContact O-CG 3.3Å; A333-R337 PolarHBondContact O-N 3.28Å
334E94.8Very high94.5Very high108 Ų108122.3 Ų122.351%0.50555%0.551SS.*Hα-helixtrans-68-41.6175.2-77.1177.6-173.400112.2R330 R331 E336 R337 A338R330-E334 WeakPolarHBondContact O-CB 3.46Å; R330-E334 WeakPolarHBondContact O-CG 3.27Å; R330-E334 PolarHBondContact O-N 3.44Å; R331-E334 PolarHBondContact O-N 3.49Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 3.39Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 2.97Å
335E94.7Very high94.7Very high134 Ų134120.9 Ų120.963%0.62655%0.545SS*.Hα-helixtrans-63.5-40.7175.5-172.4176.7-17800111.5R331 R332 A338 R339R331-E335 WeakPolarHBondContact O-CB 3.38Å; R331-E335 PolarHBondContact O-N 2.89Å; R332-E335 PolarHBondContact O-N 3.45Å; E335-A338 PolarHBondContact O-N 2.96Å; E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.97Å
336E94Very high94.8Very high99 Ų99120.8 Ų120.846%0.46355%0.546SS..Hα-helixtrans-65-42.2175.1-164.2-169.3162.600111.7R332 E334 R339 R340R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 PolarHBondContact O-N 2.93Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 3.39Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R340 WeakPolarHBondContact O-CG 3.47Å; E336-R340 PolarHBondContact O-N 3.33Å; E336-R340 IonicContact OE1-CZ 3.89Å; E336-R340 IonicContact OE1-NE 3.42Å; E336-R340 PolarHBondContact OE1-NE 3.33Å; E336-R340 IonicContact OE1-NH2 2.96Å; E336-R340 PolarHBondContact OE1-NH2 2.98Å
337R95Very high94.8Very high176 Ų176120.8 Ų120.866%0.66455%0.546SS*.Hα-helixtrans-62.9-43.5174.2-73.3175.1-166.7167.95.7111.6A333 E334 R339 R340 H341A333-R337 VanDerWaalsContact O-CG 3.27Å; A333-R337 WeakPolarHBondContact O-CG 3.3Å; A333-R337 PolarHBondContact O-N 3.28Å; E334-R337 PolarHBondContact O-N 3.47Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.98Å; R337-R340 PolarHBondContact O-N 3.43Å; R337-H341 WeakPolarHBondContact O-CB 3.33Å; R337-H341 PolarHBondContact O-N 3.4Å
338A96.9Very high94.9Very high59 Ų59122.1 Ų122.149%0.48855%0.552SS.*Hα-helixtrans-62.6-40.2176.700000111.2E334 E335 H341 A342E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 2.97Å; E335-A338 PolarHBondContact O-N 2.96Å; A338-H341 PolarHBondContact O-N 3.36Å; A338-A342 VanDerWaalsContact O-CB 3.25Å; A338-A342 WeakPolarHBondContact O-CB 3.28Å; A338-A342 PolarHBondContact O-N 3.5Å
339R96.5Very high94.9Very high201 Ų201123.8 Ų123.876%0.75856%0.56SS**Hα-helixtrans-64.7-42.1175.9-172.8178.8178.5-167.80.4112.1E335 E336 R337 K343E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.97Å; E336-R339 PolarHBondContact O-N 3.46Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.98Å; R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 3.02Å
340R95.6Very high94.8Very high166 Ų166125.9 Ų125.963%0.62657%0.567SS**Hα-helixtrans-63.1-46.4174.7-71.2-175.6-167-1793.5111.1E336 R337 K343 E344E336-R340 WeakPolarHBondContact O-CG 3.47Å; E336-R340 PolarHBondContact O-N 3.33Å; E336-R340 IonicContact OE1-CZ 3.89Å; E336-R340 IonicContact OE1-NE 3.42Å; E336-R340 PolarHBondContact OE1-NE 3.33Å; E336-R340 IonicContact OE1-NH2 2.96Å; E336-R340 PolarHBondContact OE1-NH2 2.98Å; R337-R340 PolarHBondContact O-N 3.43Å; R340-K343 PolarHBondContact O-N 3.29Å; R340-E344 PolarHBondContact O-N 3.2Å
341H96.3Very high94.5Very high108 Ų108122.4 Ų122.450%0.557%0.565SS.*Hα-helixtrans-65.2-41179.4-171.9-110.5000112.4R337 A338 K343 E344 Q345R337-H341 WeakPolarHBondContact O-CB 3.33Å; R337-H341 PolarHBondContact O-N 3.4Å; A338-H341 PolarHBondContact O-N 3.36Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.1Å; H341-E344 PolarHBondContact O-N 2.98Å; H341-Q345 PolarHBondContact CE1-NE2 2.67Å; H341-Q345 PolarHBondContact ND1-NE2 2.9Å; H341-Q345 WeakPolarHBondContact O-CG 3.42Å; H341-Q345 PolarHBondContact O-N 3.01Å
342A96.1Very high94.3Very high44 Ų44123 Ų12336%0.36457%0.567SS.*Hα-helixtrans-63.9-39.3175.400000112A338 Q345 Q346A338-A342 VanDerWaalsContact O-CB 3.25Å; A338-A342 WeakPolarHBondContact O-CB 3.28Å; A338-A342 PolarHBondContact O-N 3.5Å; A342-Q345 PolarHBondContact O-N 2.93Å; A342-Q346 WeakPolarHBondContact O-CG 3.4Å; A342-Q346 PolarHBondContact O-N 3.42Å
343K95.8Very high94.1Very high147 Ų147123.1 Ų123.164%0.63957%0.568SS**Hα-helixtrans-65.3-44175.3-171.8-179.9178.4-174.20111.6R339 R340 H341 Q345 Q346 E347R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 3.02Å; R340-K343 PolarHBondContact O-N 3.29Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.1Å; K343-Q345 VanDerWaalsContact C-N 3.34Å; K343-Q345 PolarHBondContact O-N 3.23Å; K343-Q346 PolarHBondContact O-N 2.74Å; K343-E347 WeakPolarHBondContact O-CB 3.17Å; K343-E347 PolarHBondContact O-N 2.82Å
344E95Very high93.7Very high129 Ų129128.8 Ų128.860%0.60359%0.586SS**Hα-helixtrans-62.7-40.2176.4-172.3174.3-174.200111.6R340 H341 E347 Q348R340-E344 PolarHBondContact O-N 3.2Å; H341-E344 PolarHBondContact O-N 2.98Å; E344-E347 PolarHBondContact O-N 3.32Å; E344-Q348 WeakPolarHBondContact O-CB 3.48Å; E344-Q348 PolarHBondContact O-N 3.47Å
345Q96.3Very high93.1Very high104 Ų104129.9 Ų129.949%0.48660%0.599SS.*Hα-helixtrans-63.4-44.6174.1-76.2-173.66.900112.8H341 A342 K343 E347 Q348 E349H341-Q345 PolarHBondContact CE1-NE2 2.67Å; H341-Q345 PolarHBondContact ND1-NE2 2.9Å; H341-Q345 WeakPolarHBondContact O-CG 3.42Å; H341-Q345 PolarHBondContact O-N 3.01Å; A342-Q345 PolarHBondContact O-N 2.93Å; K343-Q345 VanDerWaalsContact C-N 3.34Å; K343-Q345 PolarHBondContact O-N 3.23Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.95Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Q345-E349 WeakPolarHBondContact O-CB 3.25Å; Q345-E349 PolarHBondContact O-N 3.34Å
346Q94.6Very high92.2Very high137 Ų137129.9 Ų129.964%0.6460%0.599SS**Hα-helixtrans-62.5-41.9176.8-76.3-179.91.400111.7A342 K343 E349 E350A342-Q346 WeakPolarHBondContact O-CG 3.4Å; A342-Q346 PolarHBondContact O-N 3.42Å; K343-Q346 PolarHBondContact O-N 2.74Å; Q346-E349 PolarHBondContact O-N 3.49Å; Q346-E350 WeakPolarHBondContact O-CB 3.29Å; Q346-E350 PolarHBondContact O-N 2.95Å
347E93.2Very high91.2Very high131 Ų131133.1 Ų133.161%0.61261%0.607SS**Hα-helixtrans-64.9-40.5176.7-174.1172.7176.200111.5K343 E344 Q345 E350 A351K343-E347 WeakPolarHBondContact O-CB 3.17Å; K343-E347 PolarHBondContact O-N 2.82Å; E344-E347 PolarHBondContact O-N 3.32Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.95Å; E347-E350 PolarHBondContact O-N 3.26Å; E347-A351 VanDerWaalsContact O-CB 3.27Å; E347-A351 WeakPolarHBondContact O-CB 3.4Å; E347-A351 PolarHBondContact O-N 2.95Å
348Q93.3Very high89.9Confident141 Ų141129.6 Ų129.666%0.65961%0.607SS**Hα-helixtrans-66.4-40.1176.5-169.9166.340.900112.2E344 Q345 R352E344-Q348 WeakPolarHBondContact O-CB 3.48Å; E344-Q348 PolarHBondContact O-N 3.47Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Q348-R352 WeakPolarHBondContact O-CB 3.45Å; Q348-R352 PolarHBondContact O-N 3.39Å
349E92.1Very high88Confident139 Ų139133 Ų13365%0.6562%0.624SS**Hα-helixtrans-67.3-41.5174.9-170.5177.6178.300111.5Q345 Q346 R352 R353Q345-E349 WeakPolarHBondContact O-CB 3.25Å; Q345-E349 PolarHBondContact O-N 3.34Å; Q346-E349 PolarHBondContact O-N 3.49Å; E349-R352 PolarHBondContact O-N 2.83Å; E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 PolarHBondContact O-N 2.99Å
350E89.9Confident86.2Confident132 Ų132128.7 Ų128.762%0.61763%0.625SS**Hα-helixtrans-64.1-43175.4-170.6179.5173.300111.4Q346 E347 R352 R353 K354Q346-E350 WeakPolarHBondContact O-CB 3.29Å; Q346-E350 PolarHBondContact O-N 2.95Å; E347-E350 PolarHBondContact O-N 3.26Å; E350-R352 VanDerWaalsContact C-N 3.35Å; E350-R352 PolarHBondContact O-N 3.48Å; E350-R353 PolarHBondContact O-N 2.91Å; E350-K354 VanDerWaalsContact O-CB 3.3Å; E350-K354 WeakPolarHBondContact O-CB 3.4Å; E350-K354 PolarHBondContact O-N 3.25Å
351A89.9Confident84.1Confident52 Ų52126.8 Ų126.843%0.4363%0.634SS.*Hα-helixtrans-59.8-45.7174.300000111.1E347 R353 K354 V355E347-A351 VanDerWaalsContact O-CB 3.27Å; E347-A351 WeakPolarHBondContact O-CB 3.4Å; E347-A351 PolarHBondContact O-N 2.95Å; A351-R353 PolarHBondContact O-N 2.88Å; A351-K354 PolarHBondContact O-N 2.93Å; A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 3.23Å; A351-V355 VanDerWaalsContact O-N 3.07Å
352R91.1Very high81.6Confident168 Ų168126.5 Ų126.563%0.63465%0.65SS**Hα-helixtrans-60.7-45.5175.7-169.1-178.9178.1-69.4-5.4111.4Q348 E349 E350 K354 V355 E356Q348-R352 WeakPolarHBondContact O-CB 3.45Å; Q348-R352 PolarHBondContact O-N 3.39Å; E349-R352 PolarHBondContact O-N 2.83Å; E350-R352 VanDerWaalsContact C-N 3.35Å; E350-R352 PolarHBondContact O-N 3.48Å; R352-K354 VanDerWaalsContact C-N 3.32Å; R352-K354 PolarHBondContact O-N 3.28Å; R352-V355 PolarHBondContact O-N 3.4Å; R352-E356 IonicContact CZ-OE2 3.77Å; R352-E356 IonicContact NH1-OE2 2.88Å; R352-E356 PolarHBondContact NH1-OE2 3.49Å; R352-E356 PolarHBondContact O-N 2.95Å
353R90.7Very high79.1Confident173 Ų173133.9 Ų133.965%0.65368%0.677SS**Hα-helixtrans-66-31.5178.2-173.7177175.1-135.32.1112.9E349 E350 A351 R357E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 PolarHBondContact O-N 2.99Å; E350-R353 PolarHBondContact O-N 2.91Å; A351-R353 PolarHBondContact O-N 2.88Å; R353-R357 PolarHBondContact O-N 2.95Å
354K85.4Confident76.3Confident157 Ų157131.4 Ų131.468%0.68368%0.684SS**Hα-helixtrans-73.8-33.6177.1-162.4170.8-175.7178.40111.9E350 A351 R352E350-K354 VanDerWaalsContact O-CB 3.3Å; E350-K354 WeakPolarHBondContact O-CB 3.4Å; E350-K354 PolarHBondContact O-N 3.25Å; A351-K354 PolarHBondContact O-N 2.93Å; R352-K354 VanDerWaalsContact C-N 3.32Å; R352-K354 PolarHBondContact O-N 3.28Å
355V81.9Confident73.6Confident131 Ų131132 Ų13279%0.79470%0.696SS**Hα-helixtrans-71.3-35.2172173.90000111.7A351 R352 R357A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 3.23Å; A351-V355 VanDerWaalsContact O-N 3.07Å; R352-V355 PolarHBondContact O-N 3.4Å; V355-R357 VanDerWaalsContact C-N 3.26Å; V355-R357 PolarHBondContact O-N 3.3Å
356E77.1Confident70.5Confident133 Ų133133.5 Ų133.562%0.62171%0.713SS**SBendtrans-77.6-7-179.4-156.5169.7164.800113.5R352 P358R352-E356 IonicContact CZ-OE2 3.77Å; R352-E356 IonicContact NH1-OE2 2.88Å; R352-E356 PolarHBondContact NH1-OE2 3.49Å; R352-E356 PolarHBondContact O-N 2.95Å; E356-P358 WeakPolarHBondContact O-CD 3.44Å
357R71.6Confident68.3Low167 Ų167132.9 Ų132.963%0.6372%0.721SS**SBendtrans-82.6119.3178.5-153.1-175.5-58-157.15.4110.4R353 V355R353-R357 PolarHBondContact O-N 2.95Å; V355-R357 VanDerWaalsContact C-N 3.26Å; V355-R357 PolarHBondContact O-N 3.3Å
358P68.9Low65.7Low102 Ų102132 Ų13266%0.66273%0.729SS**PPolyproline II helixtrans-69.3145.7-17827.1-33.4000111.7E356 S360E356-P358 WeakPolarHBondContact O-CD 3.44Å; P358-S360 PolarHBondContact O-N 3.33Å
359P57.8Low63.3Low130 Ų130130.8 Ų130.884%0.84473%0.734SS**PPolyproline II helixtrans-68.5119.7178.527.3-32.4000110.5
360S58.6Low60.6Low112 Ų112130.7 Ų130.778%0.78374%0.743SS**PPolyproline II helixtrans-73.7141166.7-58.50000110.2P358P358-S360 PolarHBondContact O-N 3.33Å
361P49.8Very low58.9Low125 Ų125129.6 Ų129.681%0.81275%0.747SS**PPolyproline II helixtrans-71.6143.2-172.627.1-32000112.7
362A44.8Very low56.2Low102 Ų102132.6 Ų132.684%0.84377%0.765SS**PPolyproline II helixtrans-59.6134.1-174.800000114.1
363H42.9Very low54Low199 Ų199130.7 Ų130.792%0.92177%0.774SS**PPolyproline II helixtrans-93.8130.7158.3-91-65.4000110.4
364A37.8Very low51.3Low95 Ų95128.7 Ų128.779%0.78578%0.782SS**PPolyproline II helixtrans-73.5155.2-173.700000114
365T37.7Very low49.7Very low141 Ų141126.2 Ų126.287%0.86578%0.782SS**PPolyproline II helixtrans-53.1141.4174.611.60000115.8
366T32.3Very low47.9Very low136 Ų136126.2 Ų126.283%0.83478%0.784SS**  trans-140139.4147.634.30000110.6
367P48.6Very low45.8Very low124 Ų124125.7 Ų125.781%0.80579%0.79SS**  trans-93.8153.8-17336.1-33.7000114
368S37Very low44.2Very low112 Ų112126 Ų12678%0.78380%0.798SS**  trans-76156.2170.2165.70000112.6
369P43.5Very low43.3Very low117 Ų117126.3 Ų126.376%0.7680%0.8SS**  trans-117.3154.8149.934.7-23.7000113.9
370T35Very low42.1Very low137 Ų137125 Ų12584%0.8480%0.801SS**  trans-81.6-172.3-165.6-7.20000114.9
371P54.7Low41Very low109 Ų109124 Ų12471%0.70880%0.8SS**  trans-117.9-173.4-136.834.8-11.1000116.4
372S33.4Very low40.3Very low114 Ų114126 Ų12680%0.79780%0.798SS**  trans98.8157.2162.8-59.60000117.9
373P44.8Very low39.7Very low128 Ų128127.3 Ų127.383%0.83179%0.79SS**  cis-130.7171.7-19.734.1-14000115.2
374T34.5Very low39.3Very low132 Ų132125.3 Ų125.381%0.8178%0.781SS**  trans-95.1176.4167.9-150000111.1
375P50.7Low38.8Very low105 Ų105128 Ų12868%0.68279%0.787SS**  cis-126.4-169.1-29.828.7-5.4000112.6
376P44.8Very low38.5Very low130 Ų130125.1 Ų125.184%0.84479%0.786SS**  -147.4173.9105.236.8-17.8000117.1
377V32.8Very low38.5Very low123 Ų123124.4 Ų124.475%0.74579%0.786SS**  trans-94.4146.5-162.3-160.70000113.3
378Q37.7Very low37.5Very low172 Ų172122.2 Ų122.280%0.80479%0.787SS**  138.9170.9110.4-86.6-159.9-5.600111.1
379P49.6Very low37.1Very low109 Ų109122 Ų12271%0.70879%0.785SS**  cis-143.4174.6-31.137.4-17.3000117.4
380A32.4Very low36.4Very low103 Ų103124.4 Ų124.485%0.85179%0.791SS**  trans64.8131137.200000126.8
381A37Very low36.1Very low92 Ų92123.2 Ų123.276%0.7679%0.788SS**  -174113129.600000109.7
382E34.2Very low36.1Very low166 Ų166123.6 Ų123.678%0.77679%0.79SS**  72.5124.883.4-117.7-178.515400114.4
383L33.4Very low36.3Very low130 Ų130124.1 Ų124.168%0.68179%0.791SS**  -167.3140.266-78.1163.5000115
384Q32.9Very low35.7Very low156 Ų156125.8 Ų125.873%0.72979%0.792SS**  48125.1129.9-58.1176.94.400121.2
385V28.9Very low36.1Very low152 Ų152125.5 Ų125.592%0.92179%0.793SS**  76.5121.952.3-1730000115.5
386G29.8Very low35Very low81 Ų81123.7 Ų123.784%0.83579%0.793SS**  trans-178130.6164.100000114.3
387S31.9Very low34.3Very low120 Ų120126.8 Ų126.884%0.83980%0.796SS**  trans-121157.6-163.755.40000114.9
388G28.6Very low34.1Very low79 Ų79125.1 Ų125.181%0.81479%0.789SS**  trans87.9160.8155.600000116.1
389S28Very low34Very low107 Ų107125.1 Ų125.175%0.74879%0.789SS**  cis-178.3159.4-12.1-169.10000106.6
390L29.4Very low33Very low168 Ų168127.6 Ų127.688%0.8879%0.791SS**  trans79.4133.7159.2-62.1164.6000122.4
391S29Very low33Very low112 Ų112129.4 Ų129.478%0.78378%0.784SS**  trans-86.5-166.2169.5-30.70000112.1
392P53.9Low32.8Very low116 Ų116131.6 Ų131.675%0.75379%0.788SS**  cis-122.4-171-43.740.6-23.6000111.2
393P38.6Very low32.7Very low125 Ų125128.3 Ų128.381%0.81278%0.783SS**  -152.6166.883.536.5-14.1000117.5
394L31.2Very low32.6Very low164 Ų164128.3 Ų128.386%0.85979%0.793SS**  trans-73.6-176.1164.7-75.7162.2000111.5
395P43.9Very low32.4Very low126 Ų126129.9 Ų129.982%0.81880%0.797SS**  cis-144.4178.111.440.1-19.1000117.4
396G27.9Very low32.6Very low67 Ų67129.8 Ų129.869%0.69179%0.791SS**  trans154.9106.3148.200000118.7
397H30.1Very low32.6Very low195 Ų195133.3 Ų133.390%0.90379%0.79SS**  trans46146.9139.2-835.9000121.8
398S28.4Very low32.7Very low87 Ų87135.4 Ų135.461%0.60879%0.786SS**  cis179.6161.70.2-175.30000108.7
399Q35.1Very low32.9Very low173 Ų173138.6 Ų138.681%0.80879%0.785SS**  trans86.9108.3157.9-43.6-157.16.400119
400H29.2Very low33.1Very low161 Ų161137.7 Ų137.775%0.74578%0.778SS**  74.8126.384.6-141.3-141.1000111.4
401M30.6Very low33.2Very low140 Ų140138.7 Ų138.769%0.6978%0.779SS**  cis-155.9155.234.8-76.9-95.5-160.700108.7
402T33.4Very low33.4Very low138 Ų138137.6 Ų137.685%0.84777%0.771SS**  -170.4123122.5-59.90000108.4
403S32.3Very low32.3Very low98 Ų98141.2 Ų141.269%0.68578%0.777SS**  trans-94.6131.9174.4129.50000108.7
404C31.2Very low31.9Very low130 Ų130139.7 Ų139.788%0.87878%0.776SS**  trans-135.7115.2151.9-83.50000108.6
405F29.2Very low31.8Very low189 Ų189135.9 Ų135.983%0.82977%0.768SS**  trans-96.6145.6-179.2-159.1-101.5000109.3L407F405-L407 HydrophobicContact CE1-CD1 4.3Å
406L33.3Very low31.1Very low149 Ų149136.9 Ų136.978%0.7877%0.766SS**  trans-64.2156.7175.2-68.2156.8000112.3
407L29.9Very low31.3Very low155 Ų155140.9 Ų140.981%0.81277%0.772SS**  -167.1157.8121.6-125.570.9000114F405F405-L407 HydrophobicContact CE1-CD1 4.3Å
408Q34.2Very low31.4Very low165 Ų165138.4 Ų138.477%0.77176%0.761SS**  trans-94.8-179.9-165.7-82.1155.5-56.500116
409N32.7Very low32.4Very low146 Ų146140 Ų14078%0.78177%0.769SS**  trans93.6151.5153.2-76.58.2000117
410S31.5Very low32.1Very low87 Ų87138.6 Ų138.661%0.60877%0.766SS**  cis170.2157.8-19-82.90000106.1
411Q32.7Very low32.2Very low190 Ų190140.3 Ų140.389%0.88877%0.768SS**  trans77.1152.4163.8-62.8175.721.900118.1
412S31.2Very low32.3Very low88 Ų88141.7 Ų141.762%0.61577%0.772SS**  cis179.9156-27.152.70000108.8
413E30.8Very low32.4Very low192 Ų192142 Ų14290%0.89776%0.764SS**  trans69.8148.5161-61.3178.2147.800118.7
414A30.8Very low32.2Very low94 Ų94144.3 Ų144.378%0.77777%0.774SS**  cis-159.3142.619.800000109.7
415A29.7Very low32.2Very low84 Ų84145.4 Ų145.469%0.69477%0.767SS**  90.2145.393.800000118.4
416N28.5Very low32.2Very low146 Ų146145.7 Ų145.778%0.78177%0.77SS**  trans87.8139.4169.7-48.6-51.2000116.7
417D31.8Very low32Very low152 Ų152143.4 Ų143.481%0.81377%0.773SS**  cis-167.9149.1-14.1-116.4-25.4000106.7
418E33.6Very low32Very low143 Ų143145.4 Ų145.467%0.66878%0.778SS**  trans-86.7161.8170.5-123.6-98.1141.100109.5L420E418-L420 PolarHBondContact OE1-N 3.5Å; E418-L420 VanDerWaalsContact OE1-N 3.16Å; E418-L420 WeakPolarHBondContact OE2-CB 3.46Å; E418-L420 PolarHBondContact OE2-N 2.97Å
419P49.6Very low31.8Very low119 Ų119145.2 Ų145.277%0.77378%0.782SS**  -152.4135.786.435.1-13.8000118
420L28.3Very low31.8Very low145 Ų145142.4 Ų142.476%0.75978%0.78SS**  32.6124.4116.3-147.381.4000120.1E418E418-L420 PolarHBondContact OE1-N 3.5Å; E418-L420 VanDerWaalsContact OE1-N 3.16Å; E418-L420 WeakPolarHBondContact OE2-CB 3.46Å; E418-L420 PolarHBondContact OE2-N 2.97Å
421Y30.8Very low31.8Very low197 Ų197149 Ų14977%0.77379%0.793SS**  -174.7138.6107.7110-76.2000115.9
422E33.6Very low31.8Very low168 Ų168149.2 Ų149.279%0.78579%0.794SS**  trans45.9124.7153-58.3175.516000127.3
423E34.7Very low31.7Very low145 Ų145153.7 Ų153.768%0.67881%0.805SS**  trans-43.3141.1149.3-178.4172.7-157.500117Q425E423-Q425 HydrophobicContact CG-CG 4.38Å; E423-Q425 PolarHBondContact OE1-NE2 2.83Å
424T27.8Very low31.8Very low147 Ų147150.8 Ų150.890%0.90280%0.803SS**  trans-145.7130.7138.429.60000110
425Q32Very low31.8Very low153 Ų153153.1 Ų153.172%0.71580%0.802SS**  trans-88.6146.3175.7-59.9170.23.800109.3E423E423-Q425 HydrophobicContact CG-CG 4.38Å; E423-Q425 PolarHBondContact OE1-NE2 2.83Å
426E28.9Very low31.6Very low195 Ų195154.7 Ų154.791%0.91180%0.798SS**  trans-165124.9140-110.4169.8-165.700113.2
427A29.1Very low31.7Very low100 Ų100156.8 Ų156.883%0.82680%0.797SS**  trans32.8110.1153.200000121.1
428Q29.7Very low31.7Very low197 Ų197156.6 Ų156.692%0.92179%0.791SS**PPolyproline II helixtrans-97.6121.8159.7-63177.3-16.500109
429D29.4Very low31.7Very low161 Ų161157.6 Ų157.686%0.86180%0.801SS**PPolyproline II helixtrans-67.7132.8168.7-89.5-42000110.5
430A32.5Very low31.1Very low88 Ų88157 Ų15773%0.72780%0.797SS**PPolyproline II helixtrans-75.2126.6176.400000111.3
431Y32.6Very low31.3Very low226 Ų226157.6 Ų157.689%0.88680%0.801SS**  trans-136.3126.2151.8-89.2-89.5000109.3
432E32Very low31.2Very low193 Ų193157.6 Ų157.690%0.90281%0.808SS**  trans-71.5133-172.8-63.4170.2148.400111.9
433Q30.6Very low31.1Very low183 Ų183154 Ų15486%0.85581%0.806SS**  trans-105.5133.9154.1-75.5-159.41000109
434P32.8Very low30.9Very low131 Ų131151.9 Ų151.985%0.85181%0.814SS**  trans-86.4124.2166.831.6-27.5000110.3
435D30.3Very low31.1Very low143 Ų143149.3 Ų149.377%0.76581%0.808SS**  trans-99.1150.4176.3-130-21.9000110.9
436L25.5Very low31.4Very low117 Ų117148.5 Ų148.561%0.61382%0.816SS**  trans87118.9155.9-57.2152.8000121.4
437Y30.4Very low31.6Very low190 Ų190144.4 Ų144.475%0.74582%0.815SS**  166.8117.393.7-102.6-85.1000108.2
438Q31.1Very low31.5Very low147 Ų147143.4 Ų143.469%0.68782%0.815SS**  65.4120.480.9-116.3157.4-19.600115.7
439N33.5Very low31.5Very low165 Ų165138 Ų13888%0.88281%0.812SS**  trans-60.2137.7169.1-73.2-77.3000112
440P37Very low31.4Very low106 Ų106135.1 Ų135.169%0.68881%0.81SS**  trans-101.9127.9164.134.3-24.2000111
441D32.2Very low31.3Very low158 Ų158136.7 Ų136.785%0.84582%0.816SS**  152.5110.5114.6-96.5-33.7000112.3
442E29.4Very low31.5Very low197 Ų197131.8 Ų131.892%0.92181%0.812SS**  trans-142.1117.6144.8-169.1166.4162.800108.4
443A31Very low31.5Very low91 Ų91128.1 Ų128.175%0.75281%0.808SS**  trans-148.3121.7165.300000112.8
444A31.9Very low32.6Very low102 Ų102124.7 Ų124.784%0.84380%0.801SS**  trans96116.1137.700000120.4
445A31.3Very low32.4Very low93 Ų93125.8 Ų125.877%0.76980%0.799SS**  trans-67.5172.3163.100000113.6
446P39.1Very low32.7Very low135 Ų135125.3 Ų125.388%0.87780%0.795SS**  -141.1171.5103.934.2-17.5000115.9
447A31.5Very low33.2Very low109 Ų109126.9 Ų126.990%0.90180%0.804SS**  trans-76.1160.1-15900000118.8
448G27.8Very low33.4Very low80 Ų80123 Ų12383%0.82581%0.805SS**  trans158.4112.2156.700000113.1
449G28.7Very low33.7Very low84 Ų84123.8 Ų123.887%0.86681%0.814SS**  trans-92.9159.4-166.300000117.6
450A29Very low33.7Very low99 Ų99121.9 Ų121.982%0.81881%0.808SS**  trans-178.2132.3140.300000111.2
451S29Very low33.6Very low122 Ų122124.3 Ų124.385%0.85381%0.81SS**  trans23.4135.3159.8-61.50000123.2
452P37Very low33.5Very low122 Ų122124.9 Ų124.979%0.79281%0.807SS**  trans-105.1139.3170.736.7-27000114.2
453S31.9Very low34.2Very low116 Ų116123.8 Ų123.881%0.81180%0.796SS**  trans160.7157.9132.9-710000111
454P53.4Low34.8Very low111 Ų111128.2 Ų128.272%0.72180%0.801SS**  cis-127.5-177.8-40.935.3-17.6000111.1
455L29.6Very low35.4Very low155 Ų155128.8 Ų128.881%0.81278%0.782SS**  trans146.191.5156.3-77.7-175.1000109.1
456I36.3Very low36.2Very low133 Ų133126.5 Ų126.568%0.68277%0.768SS**  77.9110.583.8-63.9173.9000114.7
457N36.2Very low37Very low149 Ų149128.6 Ų128.680%0.79777%0.772SS**  trans81.6112.3148.2-63.2-8.7000123.1
458S34.3Very low38.4Very low109 Ų109130 Ų13076%0.76276%0.764SS**  trans-156.899.2134.655.70000110.7V460S458-V460 PolarHBondContact O-N 3.34Å
459D36.8Very low40.2Very low164 Ų164131.4 Ų131.488%0.87775%0.752SS**  trans18.581.5151.4-54.6-40.4000119.3
460V34.8Very low42.7Very low124 Ų124130 Ų13075%0.75274%0.737SS**  trans-108.2113145.6-179.60000105.5S458 Q462S458-V460 PolarHBondContact O-N 3.34Å; V460-Q462 PolarHBondContact O-N 3.29Å
461Q33.9Very low45.6Very low157 Ų157127.9 Ų127.973%0.73471%0.714SS**  trans-69.777.3166.8-77.5179.9-7.600108.1Y463Q461-Y463 HydrophobicContact CB-CE2 4.41Å; Q461-Y463 PolarHBondContact O-N 2.85Å; Q461-Y463 VanDerWaalsContact O-N 3.16Å
462Q30.8Very low48.7Very low170 Ų170123.6 Ų123.679%0.79468%0.683SS**  trans-73.298.2164.5-170.8174-3.500105.6V460 E464V460-Q462 PolarHBondContact O-N 3.29Å; Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 3.03Å
463Y43.1Very low51.5Low174 Ų174117.8 Ų117.868%0.68265%0.645SS**  trans-60.4104.1166.5-66.4-84.9000106.8Q461 Y465Q461-Y463 HydrophobicContact CB-CE2 4.41Å; Q461-Y463 PolarHBondContact O-N 2.85Å; Q461-Y463 VanDerWaalsContact O-N 3.16Å; Y463-Y465 PolarHBondContact O-N 2.79Å
464E43.3Very low54.6Low184 Ų184112.6 Ų112.686%0.8661%0.608SS**  trans-67.279.5170.4-169.5171.6-166.500106.9Q462 G466Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 3.03Å; E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 2.92Å
465Y44.9Very low56.7Low114 Ų114107.3 Ų107.345%0.44757%0.574SS.*  trans-62.6106.7154.1-78.5-73.6000104.8Y463 N497Y463-Y465 PolarHBondContact O-N 2.79Å; Y465-N497 HydrophobicContact CD1-CB 4.44Å; Y465-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y465-N497 HydrophobicContact CE1-CB 4.03Å; Y465-N497 VanDerWaalsContact CE1-ND2 3.27Å; Y465-N497 WeakPolarHBondContact CE1-ND2 3.27Å
466G48.6Very low59.9Low45 Ų45103.7 Ų103.746%0.46456%0.555SS.*  trans-50.8159.7168.900000109.8E464 D468E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 2.92Å; G466-D468 CarbonylContact O-C 3.51Å; G466-D468 PolarHBondContact O-N 3.31Å
467D55.5Low62.7Low179 Ų179103.9 Ų103.996%0.95755%0.548SS*.SBendtrans-53.16.2-178.5-79.2-59.6000116
468D62Low65.6Low140 Ų140102 Ų10275%0.74954%0.538SS*.  trans-87.295.2164.8-61.6-68.1000109.4G466 G470G466-D468 CarbonylContact O-C 3.51Å; G466-D468 PolarHBondContact O-N 3.31Å; D468-G470 PolarHBondContact O-N 3.13Å
469L64.8Low68.6Low109 Ų10998.3 Ų98.357%0.57151%0.508SS*.  trans-60.410.5173.2-70.8168.8000114.5T472 N497L469-T472 HydrophobicContact CB-CG2 4.33Å; L469-N497 PolarHBondContact O-N 3.3Å
470G80.8Confident71.5Confident53 Ų5397.6 Ų97.655%0.54650%0.499SS..  trans58.6-153.9-179.900000112.2D468D468-G470 PolarHBondContact O-N 3.13Å
471V90.1Very high74.4Confident55 Ų5593.1 Ų93.133%0.33348%0.475SS..EExtended strand (participates in β ladder)trans-70.1130.9168.9179.90000108I498 V524V471-I498 HydrophobicContact CB-CB 4.21Å; V471-I498 HydrophobicContact CG1-CB 4.38Å; V471-I498 WeakPolarHBondContact O-CB 3.5Å; V471-I498 WeakPolarHBondContact O-CG1 3.32Å; V471-I498 PolarHBondContact O-N 3.3Å; V471-I498 VanDerWaalsContact O-N 3.08Å; V471-V524 HydrophobicContact CG1-CG1 3.5Å; V471-V524 VanDerWaalsContact CG1-CG1 3.5Å
472T94.6Very high77.2Confident33 Ų3390 Ų9020%0.20248%0.476CS..EExtended strand (participates in β ladder)trans-111.3151.6174.468.40000110.3L469 I495 T496 R525L469-T472 HydrophobicContact CB-CG2 4.33Å; T472-I495 CarbonylContact C-O 3.57Å; T472-I495 VanDerWaalsContact CA-O 3.29Å; T472-I495 WeakPolarHBondContact CA-O 3.32Å; T472-T496 HydrophobicContact CG2-CG2 4.12Å; T472-R525 PolarHBondContact O-N 3.15Å; T472-R525 VanDerWaalsContact O-O 3.13Å; T472-R525 PolarHBondContact OG1-O 3.21Å; T472-R525 VanDerWaalsContact OG1-O 3.09Å
473A95.8Very high80.1Confident0 Ų083 Ų830%045%0.45CS..EExtended strand (participates in β ladder)trans-140.5157.4174.200000110.2I495 I498 V522 E523 V524A473-I495 PolarHBondContact N-O 3.5Å; A473-I495 PolarHBondContact O-N 2.87Å; A473-I498 HydrophobicContact CB-CD1 3.23Å; A473-I498 VanDerWaalsContact N-CD1 3.29Å; A473-V522 HydrophobicContact CB-CB 3.88Å; A473-V522 HydrophobicContact CB-CG2 3.78Å; A473-E523 CarbonylContact C-O 3.58Å; A473-E523 WeakPolarHBondContact CA-O 3.36Å; A473-E523 WeakPolarHBondContact CB-O 3.49Å; A473-V524 HydrophobicContact CB-CG2 4.42Å
474V96.7Very high82.5Confident6 Ų683.3 Ų83.34%0.03646%0.463CS..EExtended strand (participates in β ladder)trans-112131174.8175.30000109.6L476 D493 I494 V522 E523 R525V474-L476 PolarHBondContact O-N 3.41Å; V474-D493 WeakPolarHBondContact CA-O 3.36Å; V474-I494 HydrophobicContact CG2-CG1 4.19Å; V474-V522 CarbonylContact O-C 3.5Å; V474-V522 VanDerWaalsContact O-CA 3.28Å; V474-V522 WeakPolarHBondContact O-CA 3.45Å; V474-E523 PolarHBondContact N-O 2.88Å; V474-E523 PolarHBondContact O-N 3.37Å; V474-R525 HydrophobicContact CG2-CG 4.12Å
475A97.1Very high85Confident0 Ų079.1 Ų79.10%045%0.447CS..EExtended strand (participates in β ladder)trans-64.2128.1176.500000110.9F489 D490 D492 D493A475-F489 HydrophobicContact CB-CD2 3.32Å; A475-F489 HydrophobicContact CB-CE2 3.6Å; A475-F489 HydrophobicContact CB-CG 4.31Å; A475-D490 VanDerWaalsContact CB-O 3.25Å; A475-D490 WeakPolarHBondContact CB-O 3.31Å; A475-D492 PolarHBondContact O-N 3.47Å; A475-D493 HydrophobicContact CB-CB 4.3Å; A475-D493 PolarHBondContact N-O 3.27Å
476L96.9Very high87.4Confident80 Ų8075.5 Ų75.542%0.41943%0.434SS..SBendtrans-90.2-28.2174.8-64.7177.3000112V474 Y521 E523V474-L476 PolarHBondContact O-N 3.41Å; L476-Y521 PolarHBondContact N-O 2.95Å; L476-E523 HydrophobicContact CD1-CB 4.15Å; L476-E523 HydrophobicContact CD2-CB 4Å; L476-E523 HydrophobicContact CG-CB 4.09Å
477Y96.5Very high89.7Confident136 Ų13673.4 Ų73.453%0.53341%0.412SS..SBendtrans-135159.3-177.7-52.7-72.1000109.8F489 Y521Y477-F489 WeakPolarHBondContact O-CE2 3.28Å; Y477-Y521 HydrophobicContact CD2-CD1 4.42Å
478D97.1Very high91.6Very high109 Ų10967 Ų6758%0.58338%0.381SS*.  trans-66.5144.9168.161.4-65.4000109.9F489 P491D478-F489 WeakPolarHBondContact CA-O 3.45Å; D478-P491 HydrophobicContact CB-CG 4.37Å
479Y97Very high93.3Very high33 Ų3360.5 Ų60.513%0.12935%0.346CS..BIsolated β-bridgetrans-139.2128.6171.6-175.6-102.2000109.4E486 I487 S488 F489 P518 Y521Y479-E486 PolarHBondContact OH-OE2 3.5Å; Y479-I487 WeakPolarHBondContact CD1-O 3.43Å; Y479-S488 CarbonylContact O-C 3.59Å; Y479-S488 WeakPolarHBondContact O-CA 3.49Å; Y479-S488 WeakPolarHBondContact O-CB 3.38Å; Y479-F489 VanDerWaalsContact CB-CZ 3.43Å; Y479-F489 HydrophobicContact CD1-CE1 4.01Å; Y479-F489 HydrophobicContact CD1-CZ 4.36Å; Y479-F489 HydrophobicContact CG-CE1 4.21Å; Y479-F489 HydrophobicContact CG-CZ 4.11Å; Y479-F489 PolarHBondContact N-O 2.91Å; Y479-F489 PolarHBondContact O-N 3.29Å; Y479-P518 HydrophobicContact CD2-CG 3.73Å; Y479-P518 HydrophobicContact CE2-CG 3.65Å; Y479-P518 HydrophobicContact CG-CG 4.28Å; Y479-Y521 HydrophobicContact CD2-CD1 4.12Å; Y479-Y521 HydrophobicContact CD2-CE1 4.04Å
480Q96.6Very high94.9Very high149 Ų14959 Ų5970%0.69634%0.339SS*.  trans-106.6122.8174.7-167.767.512.500109A482Q480-A482 PolarHBondContact O-N 3.35Å
481A95.3Very high95.6Very high30 Ų3059.3 Ų59.325%0.24833%0.332CS..  trans-56.1129.3177.400000110.8E486 S488A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.19Å; A481-S488 VanDerWaalsContact CB-OG 3.26Å; A481-S488 WeakPolarHBondContact CB-OG 3.38Å; A481-S488 PolarHBondContact N-OG 3.48Å
482A93.6Very high95.9Very high90 Ų9062.9 Ų62.974%0.74435%0.349SS*.SBendtrans-90.5-21.8174.800000112.4Q480 E486Q480-A482 PolarHBondContact O-N 3.35Å; A482-E486 PolarHBondContact N-OE2 2.95Å
483G92.3Very high96Very high24 Ų2462.6 Ų62.625%0.24735%0.346CS..SBendtrans-133.5165.618000000112.9D485 E486G483-D485 PolarHBondContact O-N 2.97Å; G483-E486 PolarHBondContact O-N 3.33Å; G483-E486 VanDerWaalsContact O-N 3.15Å
484D93.2Very high96Very high180 Ų18067.3 Ų67.396%0.96337%0.37SS*.THydrogen-bonded Turntrans-68.6-15.7178.4-61.6-29.3000112.9
485D94.9Very high96Very high96 Ų9667 Ų6751%0.51337%0.368SS..THydrogen-bonded Turntrans-90-1.7175.960.3-37.9000113.4G483 G515 L516G483-D485 PolarHBondContact O-N 2.97Å; D485-G515 CarbonylContact O-C 3.54Å; D485-G515 WeakPolarHBondContact O-CA 3.37Å; D485-L516 HydrophobicContact CB-CD1 4.44Å; D485-L516 WeakPolarHBondContact O-CB 3.36Å; D485-L516 PolarHBondContact O-N 2.88Å
486E96.4Very high95.9Very high38 Ų3868.5 Ų68.518%0.17838%0.378CS..BIsolated β-bridgetrans-108155.9-179.8-63.2178-165.300112.3Y479 A481 A482 G483 W505 L516Y479-E486 PolarHBondContact OH-OE2 3.5Å; A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.19Å; A482-E486 PolarHBondContact N-OE2 2.95Å; G483-E486 PolarHBondContact O-N 3.33Å; G483-E486 VanDerWaalsContact O-N 3.15Å; E486-W505 HydrophobicContact CG-CZ3 4.35Å; E486-L516 CarbonylContact C-O 3.55Å; E486-L516 VanDerWaalsContact CA-O 3.23Å; E486-L516 WeakPolarHBondContact CA-O 3.45Å; E486-L516 HydrophobicContact CG-CB 4.26Å
487I96Very high95.7Very high2 Ų265.5 Ų65.51%0.0136%0.362CS..  trans-108.2143.8175.756.7173.9000111.3Y479 F489 I495 C510 A513 Y514 G515 L516 F517Y479-I487 WeakPolarHBondContact CD1-O 3.43Å; I487-F489 HydrophobicContact CD1-CD1 4.41Å; I487-F489 HydrophobicContact CG1-CD1 4.23Å; I487-F489 HydrophobicContact CG1-CE1 4.43Å; I487-I495 HydrophobicContact CD1-CG2 4.41Å; I487-C510 HydrophobicContact CD1-CB 3.79Å; I487-A513 HydrophobicContact CG2-CB 3.95Å; I487-Y514 VanDerWaalsContact CG2-C 3.48Å; I487-G515 VanDerWaalsContact CG2-N 3.25Å; I487-L516 PolarHBondContact N-O 3.02Å; I487-F517 HydrophobicContact CD1-CB 4.44Å; I487-F517 HydrophobicContact CD1-CD1 3.53Å; I487-F517 HydrophobicContact CD1-CE1 4.14Å; I487-F517 HydrophobicContact CD1-CG 4.25Å; I487-F517 HydrophobicContact CG1-CB 3.99Å; I487-F517 HydrophobicContact CG1-CD1 3.93Å; I487-F517 HydrophobicContact CG1-CG 4.34Å
488S96.4Very high95.6Very high44 Ų4459.6 Ų59.631%0.30834%0.339SS..  trans-99.6142.9171.7-48.90000110.4Y479 A481Y479-S488 CarbonylContact O-C 3.59Å; Y479-S488 WeakPolarHBondContact O-CA 3.49Å; Y479-S488 WeakPolarHBondContact O-CB 3.38Å; A481-S488 VanDerWaalsContact CB-OG 3.26Å; A481-S488 WeakPolarHBondContact CB-OG 3.38Å; A481-S488 PolarHBondContact N-OG 3.48Å
489F97.1Very high95.4Very high3 Ų358 Ų581%0.01333%0.328CS..BIsolated β-bridgetrans-152.9155.117852.5-97000111.5A475 Y477 D478 Y479 I487 D493 I495 F517 V522A475-F489 HydrophobicContact CB-CD2 3.32Å; A475-F489 HydrophobicContact CB-CE2 3.6Å; A475-F489 HydrophobicContact CB-CG 4.31Å; Y477-F489 WeakPolarHBondContact O-CE2 3.28Å; D478-F489 WeakPolarHBondContact CA-O 3.45Å; Y479-F489 VanDerWaalsContact CB-CZ 3.43Å; Y479-F489 HydrophobicContact CD1-CE1 4.01Å; Y479-F489 HydrophobicContact CD1-CZ 4.36Å; Y479-F489 HydrophobicContact CG-CE1 4.21Å; Y479-F489 HydrophobicContact CG-CZ 4.11Å; Y479-F489 PolarHBondContact N-O 2.91Å; Y479-F489 PolarHBondContact O-N 3.29Å; I487-F489 HydrophobicContact CD1-CD1 4.41Å; I487-F489 HydrophobicContact CG1-CD1 4.23Å; I487-F489 HydrophobicContact CG1-CE1 4.43Å; F489-D493 WeakPolarHBondContact CA-OD2 3.45Å; F489-D493 HydrophobicContact CB-CB 4.08Å; F489-D493 WeakPolarHBondContact CB-OD2 3.41Å; F489-I495 HydrophobicContact CD1-CD1 4.01Å; F489-I495 HydrophobicContact CE1-CD1 3.98Å; F489-I495 HydrophobicContact CG-CD1 4.3Å; F489-I495 HydrophobicContact CZ-CD1 4.23Å; F489-F517 HydrophobicContact CE1-CB 3.58Å; F489-F517 HydrophobicContact CE1-CD2 4.3Å; F489-F517 HydrophobicContact CE1-CG 4.05Å; F489-F517 HydrophobicContact CZ-CB 4.22Å; F489-F517 HydrophobicContact CZ-CD2 4.43Å; F489-V522 HydrophobicContact CE2-CG1 4.31Å; F489-V522 HydrophobicContact CZ-CG1 4.08Å
490D97.5Very high95.2Very high78 Ų7862.4 Ų62.442%0.41735%0.352SS..  trans-94.9162.8174.8-62.2-50.2000110.2A475 D493 R511A475-D490 VanDerWaalsContact CB-O 3.25Å; A475-D490 WeakPolarHBondContact CB-O 3.31Å; D490-D493 PolarHBondContact N-OD2 3.26Å; D490-D493 VanDerWaalsContact O-CB 3.29Å; D490-D493 WeakPolarHBondContact O-CB 3.35Å; D490-D493 PolarHBondContact O-N 2.8Å; D490-R511 IonicContact OD2-CZ 3.42Å; D490-R511 IonicContact OD2-NH1 2.74Å; D490-R511 PolarHBondContact OD2-NH1 3.38Å; D490-R511 IonicContact OD2-NH2 2.74Å; D490-R511 PolarHBondContact OD2-NH2 3.31Å
491P97.1Very high94.9Very high60 Ų6059.3 Ų59.339%0.3934%0.339SS..THydrogen-bonded Turntrans-54.6146.9170.9-19.831.4000110.9D478 D493D478-P491 HydrophobicContact CB-CG 4.37Å; P491-D493 PolarHBondContact O-N 2.92Å
492D96.4Very high94.8Very high130 Ų13061.9 Ų61.970%0.69535%0.348SS*.THydrogen-bonded Turntrans68.40.9-176-59.1-55.1000116.2A475A475-D492 PolarHBondContact O-N 3.47Å
493D96.4Very high94.7Very high26 Ų2666.7 Ų66.714%0.13936%0.356CS..PPolyproline II helixtrans-64.2140.9171.3-84-21.7000111.7V474 A475 F489 D490 P491 R511V474-D493 WeakPolarHBondContact CA-O 3.36Å; A475-D493 HydrophobicContact CB-CB 4.3Å; A475-D493 PolarHBondContact N-O 3.27Å; F489-D493 WeakPolarHBondContact CA-OD2 3.45Å; F489-D493 HydrophobicContact CB-CB 4.08Å; F489-D493 WeakPolarHBondContact CB-OD2 3.41Å; D490-D493 PolarHBondContact N-OD2 3.26Å; D490-D493 VanDerWaalsContact O-CB 3.29Å; D490-D493 WeakPolarHBondContact O-CB 3.35Å; D490-D493 PolarHBondContact O-N 2.8Å; P491-D493 PolarHBondContact O-N 2.92Å; D493-R511 IonicContact OD1-CZ 3.2Å; D493-R511 IonicContact OD1-NE 2.74Å; D493-R511 PolarHBondContact OD1-NE 2.83Å; D493-R511 IonicContact OD1-NH2 2.79Å; D493-R511 PolarHBondContact OD1-NH2 2.86Å; D493-R511 IonicContact OD2-CZ 2.89Å; D493-R511 IonicContact OD2-NE 3.17Å; D493-R511 PolarHBondContact OD2-NE 3.49Å; D493-R511 IonicContact OD2-NH1 2.94Å; D493-R511 IonicContact OD2-NH2 2.9Å; D493-R511 PolarHBondContact OD2-NH2 3.41Å
494I95.5Very high94.8Very high100 Ų10066.8 Ų66.851%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-93.7118.5176.8-54.5177.4000109.4V474 T496V474-I494 HydrophobicContact CG2-CG1 4.19Å; I494-T496 HydrophobicContact CG2-CG2 4.06Å
495I96.1Very high94.9Very high0 Ų062.8 Ų62.80%033%0.328CS..EExtended strand (participates in β ladder)trans-97.9129.1173.3-54.2165.6000107.8T472 A473 I487 F489 I498 V509 C510 F517 V522T472-I495 CarbonylContact C-O 3.57Å; T472-I495 VanDerWaalsContact CA-O 3.29Å; T472-I495 WeakPolarHBondContact CA-O 3.32Å; A473-I495 PolarHBondContact N-O 3.5Å; A473-I495 PolarHBondContact O-N 2.87Å; I487-I495 HydrophobicContact CD1-CG2 4.41Å; F489-I495 HydrophobicContact CD1-CD1 4.01Å; F489-I495 HydrophobicContact CE1-CD1 3.98Å; F489-I495 HydrophobicContact CG-CD1 4.3Å; F489-I495 HydrophobicContact CZ-CD1 4.23Å; I495-I498 HydrophobicContact CB-CD1 4.17Å; I495-I498 HydrophobicContact CB-CG1 4.46Å; I495-I498 HydrophobicContact CG2-CD1 4.08Å; I495-I498 HydrophobicContact CG2-CG1 3.87Å; I495-V509 WeakPolarHBondContact CA-O 3.39Å; I495-C510 HydrophobicContact CG1-CB 4Å; I495-F517 HydrophobicContact CD1-CD2 4.17Å; I495-F517 HydrophobicContact CD1-CE1 4.4Å; I495-F517 HydrophobicContact CD1-CE2 4Å; I495-F517 HydrophobicContact CD1-CG 4.47Å; I495-F517 HydrophobicContact CD1-CZ 4.1Å; I495-F517 HydrophobicContact CG2-CE1 3.68Å; I495-F517 HydrophobicContact CG2-CZ 3.8Å; I495-V522 HydrophobicContact CD1-CG1 3.51Å
496T95.6Very high95Very high31 Ų3159.8 Ų59.819%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-116.7164.3-175.254.40000110.6T472 I494 I498 V509T472-T496 HydrophobicContact CG2-CG2 4.12Å; I494-T496 HydrophobicContact CG2-CG2 4.06Å; T496-I498 VanDerWaalsContact C-N 3.3Å; T496-I498 PolarHBondContact O-N 2.9Å; T496-V509 PolarHBondContact N-O 2.83Å; T496-V509 PolarHBondContact O-N 3.49Å; T496-V509 PolarHBondContact OG1-O 2.84Å
497N92.7Very high95Very high17 Ų1761.7 Ų61.79%0.09132%0.315CS..EExtended strand (participates in β ladder)trans56.544.6176.2-60.877.9000112.4Y465 L469 E499 V509Y465-N497 HydrophobicContact CD1-CB 4.44Å; Y465-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y465-N497 HydrophobicContact CE1-CB 4.03Å; Y465-N497 VanDerWaalsContact CE1-ND2 3.27Å; Y465-N497 WeakPolarHBondContact CE1-ND2 3.27Å; L469-N497 PolarHBondContact O-N 3.3Å; N497-E499 PolarHBondContact O-N 3.49Å; N497-V509 HydrophobicContact CB-CG2 4.35Å
498I94.6Very high94.9Very high12 Ų1261.6 Ų61.66%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-75.8125.2-174.5-60.8174.4000110.8V471 A473 I495 T496 W506 R507 F517V471-I498 HydrophobicContact CB-CB 4.21Å; V471-I498 HydrophobicContact CG1-CB 4.38Å; V471-I498 WeakPolarHBondContact O-CB 3.5Å; V471-I498 WeakPolarHBondContact O-CG1 3.32Å; V471-I498 PolarHBondContact O-N 3.3Å; V471-I498 VanDerWaalsContact O-N 3.08Å; A473-I498 HydrophobicContact CB-CD1 3.23Å; A473-I498 VanDerWaalsContact N-CD1 3.29Å; I495-I498 HydrophobicContact CB-CD1 4.17Å; I495-I498 HydrophobicContact CB-CG1 4.46Å; I495-I498 HydrophobicContact CG2-CD1 4.08Å; I495-I498 HydrophobicContact CG2-CG1 3.87Å; T496-I498 VanDerWaalsContact C-N 3.3Å; T496-I498 PolarHBondContact O-N 2.9Å; I498-W506 HydrophobicContact CG2-CB 4.02Å; I498-W506 HydrophobicContact CG2-CD2 4.16Å; I498-W506 HydrophobicContact CG2-CE3 3.77Å; I498-W506 HydrophobicContact CG2-CG 4.3Å; I498-R507 CarbonylContact C-O 3.54Å; I498-R507 WeakPolarHBondContact CA-O 3.31Å; I498-F517 HydrophobicContact CD1-CZ 4.21Å; I498-F517 HydrophobicContact CG1-CZ 4.19Å; I498-F517 HydrophobicContact CG2-CZ 4.2Å
499E93.4Very high94.9Very high75 Ų7560.9 Ų60.935%0.3531%0.308SS..EExtended strand (participates in β ladder)trans-110.2115.2171.2-67.8176.5-171.900109.1N497 I501 R507N497-E499 PolarHBondContact O-N 3.49Å; E499-I501 PolarHBondContact O-N 3.39Å; E499-R507 PolarHBondContact N-O 3.41Å; E499-R507 PolarHBondContact O-N 3.07Å; E499-R507 IonicContact OE2-CZ 3.42Å; E499-R507 IonicContact OE2-NE 3.37Å; E499-R507 PolarHBondContact OE2-NE 3.29Å; E499-R507 IonicContact OE2-NH2 3.77Å; E499-R507 PolarHBondContact OE2-NH2 3.27Å
500M92.3Very high94.7Very high126 Ų12660.9 Ų60.962%0.62131%0.308SS*.EExtended strand (participates in β ladder)trans-79.997.7176.7-59.7177.2-73.300109.1W506M500-W506 HydrophobicContact CB-CG 4.5Å; M500-W506 HydrophobicContact CG-CD2 4.02Å; M500-W506 HydrophobicContact CG-CG 4.17Å; M500-W506 HydrophobicContact CG-CZ2 4.19Å; M500-W506 HydrophobicContact SD-CZ2 4.14Å
501I91.2Very high94.4Very high84 Ų8465 Ų6543%0.43132%0.318SS..  trans-75.9-46.1179.3-58.4166.4000109.6E499 R507 L516E499-I501 PolarHBondContact O-N 3.39Å; I501-R507 HydrophobicContact CD1-CB 3.68Å; I501-R507 VanDerWaalsContact CD1-NH1 3.26Å; I501-R507 HydrophobicContact CG1-CB 4.35Å; I501-L516 HydrophobicContact CD1-CD2 3.38Å
502D92.4Very high94.1Very high83 Ų8365.6 Ų65.644%0.44434%0.335SS..SBendtrans-145.5-173174.36937.1000112G504 W505 W506D502-G504 VanDerWaalsContact C-N 3.3Å; D502-G504 PolarHBondContact O-N 2.99Å; D502-G504 WeakPolarHBondContact OD1-CA 3.43Å; D502-G504 PolarHBondContact OD1-N 3.44Å; D502-W505 PolarHBondContact N-O 3.32Å; D502-W505 PolarHBondContact OD1-N 2.9Å; D502-W506 PolarHBondContact O-NE1 2.88Å
503E90.9Very high94Very high192 Ų19261.7 Ų61.790%0.89732%0.321SS*.SBendtrans-72.5-19.3-178.3-64.7-179.4178.400113.8
504G94.7Very high93.9Very high25 Ų2565.5 Ų65.526%0.25833%0.334SS..SBendtrans-110.8-25.1-174.900000114.5D502 P518 A519D502-G504 VanDerWaalsContact C-N 3.3Å; D502-G504 PolarHBondContact O-N 2.99Å; D502-G504 WeakPolarHBondContact OD1-CA 3.43Å; D502-G504 PolarHBondContact OD1-N 3.44Å; G504-P518 CarbonylContact O-C 3.53Å; G504-P518 VanDerWaalsContact O-CA 3.28Å; G504-P518 WeakPolarHBondContact O-CA 3.37Å; G504-A519 PolarHBondContact O-N 3.38Å
505W95.7Very high93.9Very high96 Ų9660.9 Ų60.936%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-134.9120.3-170.3-69.791.1000111E486 D502 L516 F517E486-W505 HydrophobicContact CG-CZ3 4.35Å; D502-W505 PolarHBondContact N-O 3.32Å; D502-W505 PolarHBondContact OD1-N 2.9Å; W505-L516 HydrophobicContact CE3-CB 4.15Å; W505-L516 HydrophobicContact CZ3-CB 4.46Å; W505-F517 WeakPolarHBondContact CA-O 3.4Å
506W96.6Very high93.9Very high33 Ų3362.8 Ų62.813%0.12532%0.321CS..EExtended strand (participates in β ladder)trans-112.3162.8174.7-62.5-9.1000109.8I498 M500 D502 L516 F517 A519 V522 V524I498-W506 HydrophobicContact CG2-CB 4.02Å; I498-W506 HydrophobicContact CG2-CD2 4.16Å; I498-W506 HydrophobicContact CG2-CE3 3.77Å; I498-W506 HydrophobicContact CG2-CG 4.3Å; M500-W506 HydrophobicContact CB-CG 4.5Å; M500-W506 HydrophobicContact CG-CD2 4.02Å; M500-W506 HydrophobicContact CG-CG 4.17Å; M500-W506 HydrophobicContact CG-CZ2 4.19Å; M500-W506 HydrophobicContact SD-CZ2 4.14Å; D502-W506 PolarHBondContact O-NE1 2.88Å; W506-L516 CarbonylContact O-C 3.48Å; W506-L516 WeakPolarHBondContact O-CA 3.45Å; W506-F517 HydrophobicContact CB-CE1 4.16Å; W506-F517 HydrophobicContact CB-CE2 3.88Å; W506-F517 HydrophobicContact CB-CZ 3.69Å; W506-F517 HydrophobicContact CE3-CE2 4.07Å; W506-F517 HydrophobicContact CE3-CZ 4.31Å; W506-F517 PolarHBondContact N-O 3.48Å; W506-F517 WeakPolarHBondContact O-CD1 3.3Å; W506-F517 PolarHBondContact O-N 2.95Å; W506-A519 HydrophobicContact CD2-CB 3.69Å; W506-A519 VanDerWaalsContact CE2-CB 3.41Å; W506-A519 HydrophobicContact CE3-CB 4.28Å; W506-A519 HydrophobicContact CG-CB 4.01Å; W506-A519 HydrophobicContact CH2-CB 4.33Å; W506-A519 HydrophobicContact CZ2-CB 3.78Å; W506-V522 HydrophobicContact CE3-CG2 3.78Å; W506-V522 HydrophobicContact CZ3-CG2 3.56Å; W506-V524 HydrophobicContact CH2-CG2 3.33Å; W506-V524 HydrophobicContact CZ3-CG2 3.31Å
507R95.7Very high94Very high79 Ų7961.3 Ų61.330%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-125.3138.8176.9-178.1170.665.3-1370.3109.5I498 E499 I501 Y514 G515 L516I498-R507 CarbonylContact C-O 3.54Å; I498-R507 WeakPolarHBondContact CA-O 3.31Å; E499-R507 PolarHBondContact N-O 3.41Å; E499-R507 PolarHBondContact O-N 3.07Å; E499-R507 IonicContact OE2-CZ 3.42Å; E499-R507 IonicContact OE2-NE 3.37Å; E499-R507 PolarHBondContact OE2-NE 3.29Å; E499-R507 IonicContact OE2-NH2 3.77Å; E499-R507 PolarHBondContact OE2-NH2 3.27Å; I501-R507 HydrophobicContact CD1-CB 3.68Å; I501-R507 VanDerWaalsContact CD1-NH1 3.26Å; I501-R507 HydrophobicContact CG1-CB 4.35Å; R507-Y514 VanDerWaalsContact CD-CZ 3.45Å; R507-Y514 VanDerWaalsContact CD-OH 3.3Å; R507-Y514 WeakPolarHBondContact CD-OH 3.27Å; R507-Y514 HydrophobicContact CG-CD2 4.44Å; R507-Y514 HydrophobicContact CG-CE1 3.87Å; R507-Y514 HydrophobicContact CG-CE2 3.79Å; R507-Y514 VanDerWaalsContact CG-CZ 3.49Å; R507-Y514 PolarHBondContact NE-OH 3.37Å; R507-G515 VanDerWaalsContact CA-O 3.32Å; R507-G515 WeakPolarHBondContact CA-O 3.34Å; R507-L516 HydrophobicContact CB-CD2 4.1Å
508G95.6Very high94.2Very high0 Ų061.1 Ų61.10%031%0.312CS..EExtended strand (participates in β ladder)trans-169.2-176-176.800000112Y514 G515G508-Y514 WeakPolarHBondContact O-CA 3.39Å; G508-Y514 VanDerWaalsContact O-CD2 3.31Å; G508-Y514 WeakPolarHBondContact O-CD2 3.47Å; G508-G515 PolarHBondContact N-O 3.03Å; G508-G515 VanDerWaalsContact N-O 3.08Å; G508-G515 PolarHBondContact O-N 3.38Å; G508-G515 VanDerWaalsContact O-N 3.12Å
509V95.2Very high94.3Very high29 Ų2961 Ų6118%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-109.4122.4178.9-175.20000109.4I495 T496 N497 A513 Y514I495-V509 WeakPolarHBondContact CA-O 3.39Å; T496-V509 PolarHBondContact N-O 2.83Å; T496-V509 PolarHBondContact O-N 3.49Å; T496-V509 PolarHBondContact OG1-O 2.84Å; N497-V509 HydrophobicContact CB-CG2 4.35Å; V509-A513 CarbonylContact C-O 3.48Å; V509-A513 VanDerWaalsContact CA-O 3.29Å; V509-A513 WeakPolarHBondContact CA-O 3.25Å; V509-Y514 HydrophobicContact CG2-CD2 3.59Å; V509-Y514 HydrophobicContact CG2-CE2 4.4Å; V509-Y514 HydrophobicContact CG2-CG 4.41Å
510C94.3Very high94.4Very high2 Ų263.6 Ų63.61%0.01433%0.329CS..EExtended strand (participates in β ladder)trans-127.4130.9169.3-166.90000109.5I487 I495 G512 A513I487-C510 HydrophobicContact CD1-CB 3.79Å; I495-C510 HydrophobicContact CG1-CB 4Å; C510-G512 PolarHBondContact O-N 2.93Å; C510-A513 PolarHBondContact N-O 3.42Å; C510-A513 WeakPolarHBondContact O-CB 3.37Å; C510-A513 PolarHBondContact O-N 3.26Å
511R91Very high94.6Very high165 Ų16561.9 Ų61.962%0.62332%0.316SS*.THydrogen-bonded Turntrans49.830.5179.1-60.7175.9176.2-178.6-1.8114.2D490 D493 A513D490-R511 IonicContact OD2-CZ 3.42Å; D490-R511 IonicContact OD2-NH1 2.74Å; D490-R511 PolarHBondContact OD2-NH1 3.38Å; D490-R511 IonicContact OD2-NH2 2.74Å; D490-R511 PolarHBondContact OD2-NH2 3.31Å; D493-R511 IonicContact OD1-CZ 3.2Å; D493-R511 IonicContact OD1-NE 2.74Å; D493-R511 PolarHBondContact OD1-NE 2.83Å; D493-R511 IonicContact OD1-NH2 2.79Å; D493-R511 PolarHBondContact OD1-NH2 2.86Å; D493-R511 IonicContact OD2-CZ 2.89Å; D493-R511 IonicContact OD2-NE 3.17Å; D493-R511 PolarHBondContact OD2-NE 3.49Å; D493-R511 IonicContact OD2-NH1 2.94Å; D493-R511 IonicContact OD2-NH2 2.9Å; D493-R511 PolarHBondContact OD2-NH2 3.41Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å
512G90.8Very high94.8Very high73 Ų7358.5 Ų58.575%0.75330%0.299SS*.THydrogen-bonded Turntrans81.4-4.6-177.400000115.5C510C510-G512 PolarHBondContact O-N 2.93Å
513A93Very high95Very high48 Ų4860.1 Ų60.140%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-88.4134.5170.300000110I487 V509 C510 R511I487-A513 HydrophobicContact CG2-CB 3.95Å; V509-A513 CarbonylContact C-O 3.48Å; V509-A513 VanDerWaalsContact CA-O 3.29Å; V509-A513 WeakPolarHBondContact CA-O 3.25Å; C510-A513 PolarHBondContact N-O 3.42Å; C510-A513 WeakPolarHBondContact O-CB 3.37Å; C510-A513 PolarHBondContact O-N 3.26Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å
514Y94.8Very high95.1Very high105 Ų10553.2 Ų53.241%0.41228%0.275SS..EExtended strand (participates in β ladder)trans-112131177179.1-104.5000110.1I487 R507 G508 V509I487-Y514 VanDerWaalsContact CG2-C 3.48Å; R507-Y514 VanDerWaalsContact CD-CZ 3.45Å; R507-Y514 VanDerWaalsContact CD-OH 3.3Å; R507-Y514 WeakPolarHBondContact CD-OH 3.27Å; R507-Y514 HydrophobicContact CG-CD2 4.44Å; R507-Y514 HydrophobicContact CG-CE1 3.87Å; R507-Y514 HydrophobicContact CG-CE2 3.79Å; R507-Y514 VanDerWaalsContact CG-CZ 3.49Å; R507-Y514 PolarHBondContact NE-OH 3.37Å; G508-Y514 WeakPolarHBondContact O-CA 3.39Å; G508-Y514 VanDerWaalsContact O-CD2 3.31Å; G508-Y514 WeakPolarHBondContact O-CD2 3.47Å; V509-Y514 HydrophobicContact CG2-CD2 3.59Å; V509-Y514 HydrophobicContact CG2-CE2 4.4Å; V509-Y514 HydrophobicContact CG2-CG 4.41Å
515G95.8Very high94.8Very high4 Ų458.8 Ų58.84%0.04129%0.288CS..EExtended strand (participates in β ladder)trans170.4-172.1-179.400000113D485 I487 R507 G508D485-G515 CarbonylContact O-C 3.54Å; D485-G515 WeakPolarHBondContact O-CA 3.37Å; I487-G515 VanDerWaalsContact CG2-N 3.25Å; R507-G515 VanDerWaalsContact CA-O 3.32Å; R507-G515 WeakPolarHBondContact CA-O 3.34Å; G508-G515 PolarHBondContact N-O 3.03Å; G508-G515 VanDerWaalsContact N-O 3.08Å; G508-G515 PolarHBondContact O-N 3.38Å; G508-G515 VanDerWaalsContact O-N 3.12Å
516L96.9Very high93.3Very high39 Ų3966.1 Ų66.120%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-82.4147-174.2-67.7165.1000111.8D485 E486 I487 I501 W505 W506 R507D485-L516 HydrophobicContact CB-CD1 4.44Å; D485-L516 WeakPolarHBondContact O-CB 3.36Å; D485-L516 PolarHBondContact O-N 2.88Å; E486-L516 CarbonylContact C-O 3.55Å; E486-L516 VanDerWaalsContact CA-O 3.23Å; E486-L516 WeakPolarHBondContact CA-O 3.45Å; E486-L516 HydrophobicContact CG-CB 4.26Å; I487-L516 PolarHBondContact N-O 3.02Å; I501-L516 HydrophobicContact CD1-CD2 3.38Å; W505-L516 HydrophobicContact CE3-CB 4.15Å; W505-L516 HydrophobicContact CZ3-CB 4.46Å; W506-L516 CarbonylContact O-C 3.48Å; W506-L516 WeakPolarHBondContact O-CA 3.45Å; R507-L516 HydrophobicContact CB-CD2 4.1Å
517F97Very high93.2Very high0 Ų067.8 Ų67.80%034%0.337CS..EExtended strand (participates in β ladder)trans-154.5155.3172.162.4-86.8000111.7I487 F489 I495 I498 W505 W506 V522I487-F517 HydrophobicContact CD1-CB 4.44Å; I487-F517 HydrophobicContact CD1-CD1 3.53Å; I487-F517 HydrophobicContact CD1-CE1 4.14Å; I487-F517 HydrophobicContact CD1-CG 4.25Å; I487-F517 HydrophobicContact CG1-CB 3.99Å; I487-F517 HydrophobicContact CG1-CD1 3.93Å; I487-F517 HydrophobicContact CG1-CG 4.34Å; F489-F517 HydrophobicContact CE1-CB 3.58Å; F489-F517 HydrophobicContact CE1-CD2 4.3Å; F489-F517 HydrophobicContact CE1-CG 4.05Å; F489-F517 HydrophobicContact CZ-CB 4.22Å; F489-F517 HydrophobicContact CZ-CD2 4.43Å; I495-F517 HydrophobicContact CD1-CD2 4.17Å; I495-F517 HydrophobicContact CD1-CE1 4.4Å; I495-F517 HydrophobicContact CD1-CE2 4Å; I495-F517 HydrophobicContact CD1-CG 4.47Å; I495-F517 HydrophobicContact CD1-CZ 4.1Å; I495-F517 HydrophobicContact CG2-CE1 3.68Å; I495-F517 HydrophobicContact CG2-CZ 3.8Å; I498-F517 HydrophobicContact CD1-CZ 4.21Å; I498-F517 HydrophobicContact CG1-CZ 4.19Å; I498-F517 HydrophobicContact CG2-CZ 4.2Å; W505-F517 WeakPolarHBondContact CA-O 3.4Å; W506-F517 HydrophobicContact CB-CE1 4.16Å; W506-F517 HydrophobicContact CB-CE2 3.88Å; W506-F517 HydrophobicContact CB-CZ 3.69Å; W506-F517 HydrophobicContact CE3-CE2 4.07Å; W506-F517 HydrophobicContact CE3-CZ 4.31Å; W506-F517 PolarHBondContact N-O 3.48Å; W506-F517 WeakPolarHBondContact O-CD1 3.3Å; W506-F517 PolarHBondContact O-N 2.95Å; F517-V522 HydrophobicContact CD2-CG1 3.83Å; F517-V522 HydrophobicContact CD2-CG2 4.45Å; F517-V522 HydrophobicContact CE2-CB 4.35Å; F517-V522 HydrophobicContact CE2-CG1 3.69Å; F517-V522 HydrophobicContact CE2-CG2 3.71Å
518P96.6Very high93Very high13 Ų1367.2 Ų67.28%0.08434%0.339CS..EExtended strand (participates in β ladder)trans-71.6129.9179.526.6-34.3000112.6Y479 G504 N520 Y521Y479-P518 HydrophobicContact CD2-CG 3.73Å; Y479-P518 HydrophobicContact CE2-CG 3.65Å; Y479-P518 HydrophobicContact CG-CG 4.28Å; G504-P518 CarbonylContact O-C 3.53Å; G504-P518 VanDerWaalsContact O-CA 3.28Å; G504-P518 WeakPolarHBondContact O-CA 3.37Å; P518-N520 PolarHBondContact O-N 3.04Å; P518-Y521 HydrophobicContact CB-CD2 3.69Å; P518-Y521 HydrophobicContact CB-CE2 4.15Å; P518-Y521 HydrophobicContact CB-CG 4.42Å; P518-Y521 HydrophobicContact CG-CD1 4.37Å; P518-Y521 HydrophobicContact CG-CD2 3.36Å; P518-Y521 HydrophobicContact CG-CE2 3.84Å; P518-Y521 HydrophobicContact CG-CG 3.68Å; P518-Y521 PolarHBondContact O-N 3.12Å; P518-Y521 VanDerWaalsContact O-N 3.15Å
519A95.9Very high92.9Very high9 Ų970.9 Ų70.97%0.07436%0.358CS..G310 helixtrans-60.1-31.9-179.300000113.4G504 W506 Y521 V522G504-A519 PolarHBondContact O-N 3.38Å; W506-A519 HydrophobicContact CD2-CB 3.69Å; W506-A519 VanDerWaalsContact CE2-CB 3.41Å; W506-A519 HydrophobicContact CE3-CB 4.28Å; W506-A519 HydrophobicContact CG-CB 4.01Å; W506-A519 HydrophobicContact CH2-CB 4.33Å; W506-A519 HydrophobicContact CZ2-CB 3.78Å; A519-Y521 PolarHBondContact O-N 3.05Å; A519-V522 WeakPolarHBondContact O-CG2 3.31Å; A519-V522 PolarHBondContact O-N 3.3Å
520N96.9Very high92.8Very high130 Ų13073.4 Ų73.470%0.69537%0.369SS*.G310 helixtrans-70.2-9.6-179-65-43.2000114.1P518P518-N520 PolarHBondContact O-N 3.04Å
521Y95.9Very high92.7Very high91 Ų9177.9 Ų77.936%0.35739%0.391SS..G310 helixtrans-94.8-2-177-77.8-119.8000112.3L476 Y477 Y479 P518 A519L476-Y521 PolarHBondContact N-O 2.95Å; Y477-Y521 HydrophobicContact CD2-CD1 4.42Å; Y479-Y521 HydrophobicContact CD2-CD1 4.12Å; Y479-Y521 HydrophobicContact CD2-CE1 4.04Å; P518-Y521 HydrophobicContact CB-CD2 3.69Å; P518-Y521 HydrophobicContact CB-CE2 4.15Å; P518-Y521 HydrophobicContact CB-CG 4.42Å; P518-Y521 HydrophobicContact CG-CD1 4.37Å; P518-Y521 HydrophobicContact CG-CD2 3.36Å; P518-Y521 HydrophobicContact CG-CE2 3.84Å; P518-Y521 HydrophobicContact CG-CG 3.68Å; P518-Y521 PolarHBondContact O-N 3.12Å; P518-Y521 VanDerWaalsContact O-N 3.15Å; A519-Y521 PolarHBondContact O-N 3.05Å
522V95.9Very high92.8Very high12 Ų1272.1 Ų72.17%0.07338%0.375CS..EExtended strand (participates in β ladder)trans-134.4151.1-173-50.10000110.8A473 V474 F489 I495 W506 F517 A519A473-V522 HydrophobicContact CB-CB 3.88Å; A473-V522 HydrophobicContact CB-CG2 3.78Å; V474-V522 CarbonylContact O-C 3.5Å; V474-V522 VanDerWaalsContact O-CA 3.28Å; V474-V522 WeakPolarHBondContact O-CA 3.45Å; F489-V522 HydrophobicContact CE2-CG1 4.31Å; F489-V522 HydrophobicContact CZ-CG1 4.08Å; I495-V522 HydrophobicContact CD1-CG1 3.51Å; W506-V522 HydrophobicContact CE3-CG2 3.78Å; W506-V522 HydrophobicContact CZ3-CG2 3.56Å; F517-V522 HydrophobicContact CD2-CG1 3.83Å; F517-V522 HydrophobicContact CD2-CG2 4.45Å; F517-V522 HydrophobicContact CE2-CB 4.35Å; F517-V522 HydrophobicContact CE2-CG1 3.69Å; F517-V522 HydrophobicContact CE2-CG2 3.71Å; A519-V522 WeakPolarHBondContact O-CG2 3.31Å; A519-V522 PolarHBondContact O-N 3.3Å
523E96Very high92.9Very high117 Ų11772 Ų7255%0.54735%0.348SS..EExtended strand (participates in β ladder)trans-111.7119.3172.2-175176.5-16500109.4A473 V474 L476 R525A473-E523 CarbonylContact C-O 3.58Å; A473-E523 WeakPolarHBondContact CA-O 3.36Å; A473-E523 WeakPolarHBondContact CB-O 3.49Å; V474-E523 PolarHBondContact N-O 2.88Å; V474-E523 PolarHBondContact O-N 3.37Å; L476-E523 HydrophobicContact CD1-CB 4.15Å; L476-E523 HydrophobicContact CD2-CB 4Å; L476-E523 HydrophobicContact CG-CB 4.09Å; E523-R525 PolarHBondContact O-N 3.45Å
524V93.6Very high92.9Very high47 Ų4773.8 Ų73.829%0.28535%0.345SS..EExtended strand (participates in β ladder)trans-66.5127.2179.7179.90000110.4V471 A473 W506 Q526V471-V524 HydrophobicContact CG1-CG1 3.5Å; V471-V524 VanDerWaalsContact CG1-CG1 3.5Å; A473-V524 HydrophobicContact CB-CG2 4.42Å; W506-V524 HydrophobicContact CH2-CG2 3.33Å; W506-V524 HydrophobicContact CZ3-CG2 3.31Å; V524-Q526 HydrophobicContact CG1-CG 3.95Å
525R87.4Confident92.8Very high142 Ų14271.3 Ų71.354%0.53634%0.339SS..EExtended strand (participates in β ladder)trans-101106.6168-67.6-166.9177.3171.34.1108.4T472 V474 E523T472-R525 PolarHBondContact O-N 3.15Å; T472-R525 VanDerWaalsContact O-O 3.13Å; T472-R525 PolarHBondContact OG1-O 3.21Å; T472-R525 VanDerWaalsContact OG1-O 3.09Å; V474-R525 HydrophobicContact CG2-CG 4.12Å; E523-R525 PolarHBondContact O-N 3.45Å
526Q65.4Low92.5Very high251 Ų25177.4 Ų77.4100%1.17337%0.366SS*.  trans-87.30173.6-69.2-172.65.600112V524V524-Q526 HydrophobicContact CG1-CG 3.95Å

Retrieved 526 of 526 residues in 191.1 ms (Link to these results)