A0A096M3K9_POEFO Loading...

Forkhead box N2

AlphaFold DB , UniProt , Accession A0A096M3K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M44.1Very low51.2Low243 Ų243140.8 Ų140.8100%1.19782%0.821SS**  0133.50-63-49.6-170.900108.1
2G43Very low50.3Low65 Ų65145.5 Ų145.567%0.6782%0.824SS**PPolyproline II helixtrans-85.8166.4-177.500000113.7
3P64.4Low49.4Very low139 Ų139142.4 Ų142.490%0.90381%0.81SS**PPolyproline II helixtrans-72.9160.7175.432-35.2000112.4
4I55.7Low48.2Very low166 Ų166145 Ų14585%0.85181%0.812SS**PPolyproline II helixtrans-101.6148.7-166.4-60.3171.6000111.3
5I51.7Low48.1Very low149 Ų149146.1 Ų146.176%0.76481%0.813SS**PPolyproline II helixtrans-60.9131178.1-64.2161.1000111.3M7I5-M7 HydrophobicContact CG2-CG 3.94Å; I5-M7 HydrophobicContact CG2-SD 4.43Å
6G53.1Low48.7Very low77 Ų77144.9 Ų144.979%0.79481%0.814SS**  trans-121.5114.5166.700000110.5
7M40.7Very low47.8Very low168 Ų168140.5 Ų140.583%0.82881%0.809SS**  trans-98.7147.2178-69.9168.762.700111.3I5I5-M7 HydrophobicContact CG2-CG 3.94Å; I5-M7 HydrophobicContact CG2-SD 4.43Å
8S53.8Low47.1Very low113 Ų113141.7 Ų141.779%0.7981%0.808SS**  trans-63.3162.3172.5-51.20000112.8
9P61.5Low46.4Very low101 Ų101143.2 Ų143.266%0.65681%0.807SS**  trans-135.8132.913235.7-25.2000113.9
10D48.3Very low45.8Very low150 Ų150141.9 Ų141.980%0.80279%0.794SS**  trans-59.9151.3173.9-58.8-102.2000114.4
11K47Very low45.3Very low178 Ų178143.8 Ų143.877%0.77480%0.797SS**  trans-174.8103140.641.7-133.5156.2-160.80113.9
12K40.3Very low45.1Very low197 Ų197141.6 Ų141.686%0.85778%0.775SS**  21.8131.3125.5-174.9-171.8179.5-174.80117.9
13T39.1Very low44.8Very low105 Ų105145.1 Ų145.164%0.64478%0.784SS**  171138.1121.4-71.80000114
14E32.4Very low43.6Very low179 Ų179141.7 Ų141.784%0.83677%0.774SS**  trans54.2153.5158.3-75.6168.984.300126.7
15I45.8Very low42.9Very low161 Ų161140.7 Ų140.783%0.82677%0.769SS**  trans-161.6166.1164.810.8170.5000105.8
16P58.6Low42.4Very low127 Ų127143.8 Ų143.883%0.82577%0.772SS**  cis-135.3-175.2-1639.8-21.7000114.3
17G33.3Very low41.5Very low71 Ų71143.6 Ų143.673%0.73277%0.769SS**  trans141.1153.6165.300000112.7
18M35.1Very low41.5Very low161 Ų161142 Ų14279%0.79377%0.768SS**  cis-136.1-174.6-9-69.1-176.266.500106.9
19Q34.4Very low40.6Very low171 Ų171142.4 Ų142.480%0.79977%0.77SS**  cis-130.7175.912.3-77.1176.1-122.200109
20E34.7Very low39.3Very low117 Ų117140.7 Ų140.755%0.54777%0.771SS.*  cis83.496.925.5-167166.6-148.500117.5R22E20-R22 HydrophobicContact CG-CB 4.43Å
21E34.3Very low38.7Very low182 Ų182141.2 Ų141.285%0.8578%0.779SS**  trans-139.1145.1143-143.5-8182.300106.6
22R39.8Very low38.1Very low197 Ų197136.1 Ų136.174%0.74378%0.777SS**  trans-163.394.7-150.1-170.9-166.5-177.7-155.43.9115.9E20E20-R22 HydrophobicContact CG-CB 4.43Å
23T36.7Very low37.9Very low138 Ų138133.7 Ų133.785%0.84778%0.779SS**  trans-143.5148.6152.449.10000109.2
24G38.7Very low37.7Very low67 Ų67136.5 Ų136.569%0.69179%0.79SS**  cis122.8132.13.900000110.6
25L42.8Very low38.5Very low145 Ų145132.8 Ų132.876%0.75978%0.781SS**  cis-163.31548.7-97.8165.7000110.7
26R39.4Very low37.9Very low215 Ų215134 Ų13481%0.81178%0.783SS**  trans48.2139.1137.2-160.6-172.8-53-87.21.6119.7
27G35.3Very low36.8Very low72 Ų72132.4 Ų132.474%0.74278%0.78SS**  cis-170.9-154.76.500000107.9
28V39.4Very low36.8Very low134 Ų134137.4 Ų137.481%0.81279%0.785SS**  cis-156.8-172.7-2.6106.40000108.1
29C35.8Very low36.7Very low122 Ų122135.1 Ų135.182%0.82478%0.783SS**  trans-59.1163.6-175.156.40000116.6
30G34.8Very low36.8Very low66 Ų66132.2 Ų132.268%0.6879%0.788SS**  cis159.7-176-5.800000114
31V36.2Very low37Very low160 Ų160132.1 Ų132.197%0.9780%0.801SS**  trans74.7122.7174.4-171.60000117.2
32G32.9Very low37.3Very low71 Ų71128.8 Ų128.873%0.73280%0.797SS**  trans167.289.3173.400000115.1
33T37.1Very low37.6Very low147 Ų147125.5 Ų125.590%0.90280%0.802SS**  trans-2.4133.316937.50000123
34L34.7Very low37.4Very low164 Ų164127.1 Ų127.186%0.85980%0.804SS**  trans-70.1171.9156.3-76.4167.8000112.8
35P49.2Very low37.2Very low100 Ų100128.6 Ų128.665%0.64981%0.809SS**  cis-141.1-174.2-31.739.2-21.5000114.8
36E32.6Very low37Very low188 Ų188127.5 Ų127.588%0.87981%0.809SS**  trans76.3112.1143.9-153.1168153.200119.7
37A36.2Very low36.9Very low92 Ų92122.7 Ų122.776%0.7681%0.809SS**  trans-142.8102.9168.200000111.5
38E33.6Very low37.2Very low177 Ų177124.9 Ų124.983%0.82781%0.807SS**  trans55.7118.6136-57.2-172.2120.500122.5
39C33Very low36.8Very low113 Ų113125.6 Ų125.676%0.76481%0.806SS**  63.390129.9-61.70000120.8
40A36.6Very low37.1Very low109 Ų109131.5 Ų131.590%0.90181%0.811SS**PPolyproline II helixtrans-85.3118146.400000110.3
41S37.6Very low37.6Very low116 Ų116132.3 Ų132.381%0.81181%0.812SS**PPolyproline II helixtrans-81.9152.4-177.6-66.40000113.9
42S42Very low37.9Very low112 Ų112130.6 Ų130.678%0.78381%0.807SS**PPolyproline II helixtrans-69.4145.8-176.4-44.60000114.5
43P44.6Very low38.3Very low128 Ų128129.8 Ų129.883%0.83180%0.799SS**PPolyproline II helixtrans-73.4130.3150.731.6-30.5000109.5
44L33.2Very low39Very low172 Ų172127.2 Ų127.290%0.90179%0.792SS**PPolyproline II helixtrans-75.1128.9-177.8-163.874.3000110.9T46L44-T46 PolarHBondContact O-N 3.33Å
45A35Very low39.6Very low97 Ų97125.7 Ų125.780%0.80278%0.781SS**  trans-73.4112173.600000110.2S47A45-S47 PolarHBondContact O-N 2.91Å
46T37.5Very low39.6Very low123 Ų123125.2 Ų125.276%0.75577%0.773SS**  trans-74.1118.1172.6-174.70000110.3L44 V48L44-T46 PolarHBondContact O-N 3.33Å; T46-V48 PolarHBondContact O-N 3.39Å
47S37.7Very low40.4Very low114 Ų114123.3 Ų123.380%0.79776%0.764SS**  trans-84.4108173.6178.70000108.8A45A45-S47 PolarHBondContact O-N 2.91Å
48V41.5Very low41Very low118 Ų118122.5 Ų122.572%0.71574%0.744SS**  trans-107.3132.6169.4178.40000108.5T46 R50T46-V48 PolarHBondContact O-N 3.39Å; V48-R50 PolarHBondContact O-N 2.75Å
49D31.8Very low41.7Very low148 Ų148119.8 Ų119.879%0.79174%0.735SS**  trans-49.4131.5-172.9-81.9-96.5000115A51D49-A51 VanDerWaalsContact C-N 3.34Å; D49-A51 PolarHBondContact O-N 3.3Å
50R40.8Very low42.7Very low246 Ų246119.8 Ų119.893%0.92873%0.732SS**  trans-96.458.8175-157.2176.9-173.9134.5-1.2111.3V48V48-R50 PolarHBondContact O-N 2.75Å
51A45.1Very low43.1Very low83 Ų83119.6 Ų119.669%0.68672%0.715SS**  trans-87.9140.4169.300000110.8D49D49-A51 VanDerWaalsContact C-N 3.34Å; D49-A51 PolarHBondContact O-N 3.3Å
52S44.1Very low44.2Very low124 Ų124119.4 Ų119.487%0.86771%0.705SS**  trans59.884.4-177.1-156.10000115.5
53G41.1Very low45.2Very low55 Ų55118.7 Ų118.757%0.56769%0.692SS**  trans-137.431.317500000113.5
54A50.2Low45.8Very low92 Ų92119.6 Ų119.676%0.7668%0.679SS**  trans-101-5.1-168.700000115.3
55E48.4Very low47Very low133 Ų133114.5 Ų114.562%0.62165%0.652SS**SBendtrans-99.5-16.1-176.366.2171.9147.600115.4K145E55-K145 IonicContact OE1-NZ 3.72Å
56D49.8Very low48Very low90 Ų90115.5 Ų115.548%0.48164%0.64SS.*SBendtrans-90.3-11.3179.3-83.7-39.3000113.2E58 L59 K192D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 3.2Å; D56-L59 HydrophobicContact CB-CD1 4.17Å; D56-L59 VanDerWaalsContact O-CB 3.31Å; D56-L59 WeakPolarHBondContact O-CB 3.19Å; D56-L59 WeakPolarHBondContact O-CD1 3.38Å; D56-L59 WeakPolarHBondContact O-CG 3.48Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-K192 IonicContact OD2-NZ 2.64Å
57E48Very low48.9Very low148 Ų148114.2 Ų114.269%0.69263%0.626SS**G310 helixtrans-68.5-17.9-179.7-70.6-69.1126.600114L59 T60E57-L59 PolarHBondContact O-N 3.09Å; E57-T60 PolarHBondContact O-OG1 3.26Å
58E49.4Very low49.7Very low75 Ų75113.9 Ų113.935%0.3562%0.615SS.*G310 helixtrans-70.8-12175.1-164.6174-144.800112.5D56 T60 N61 T163D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 3.2Å; E58-T60 PolarHBondContact O-N 2.73Å; E58-N61 PolarHBondContact O-N 2.69Å; E58-T163 WeakPolarHBondContact OE1-CB 3.34Å; E58-T163 PolarHBondContact OE1-OG1 3.3Å
59L48.8Very low50.3Low119 Ų119112 Ų11262%0.62360%0.6SS**G310 helixtrans-68.5-13.6-177.2-64.5174.5000114.6D56 E57D56-L59 HydrophobicContact CB-CD1 4.17Å; D56-L59 VanDerWaalsContact O-CB 3.31Å; D56-L59 WeakPolarHBondContact O-CB 3.19Å; D56-L59 WeakPolarHBondContact O-CD1 3.38Å; D56-L59 WeakPolarHBondContact O-CG 3.48Å; D56-L59 PolarHBondContact O-N 3.34Å; E57-L59 PolarHBondContact O-N 3.09Å
60T52.6Low51.3Low114 Ų114108.8 Ų108.870%0.69958%0.583SS**G310 helixtrans-108.1-1017959.20000113.7E57 E58 L62E57-T60 PolarHBondContact O-OG1 3.26Å; E58-T60 PolarHBondContact O-N 2.73Å; T60-L62 PolarHBondContact O-N 2.8Å
61N46.7Very low52.1Low104 Ų104102.6 Ų102.656%0.55656%0.564SS**  trans-81.5111.2-166.8-165.1-27.9000112.3E58 N63E58-N61 PolarHBondContact O-N 2.69Å; N61-N63 PolarHBondContact O-N 3.26Å; N61-N63 VanDerWaalsContact O-N 3.11Å; N61-N63 WeakPolarHBondContact OD1-CB 3.37Å; N61-N63 PolarHBondContact OD1-N 3.37Å; N61-N63 VanDerWaalsContact OD1-N 3.16Å
62L59.8Low52Low113 Ų113104.6 Ų104.659%0.59256%0.564SS**THydrogen-bonded Turntrans-78.618.5-177.3-60.6-178.8000114.6T60 W64 L65T60-L62 PolarHBondContact O-N 2.8Å; L62-W64 PolarHBondContact O-N 2.83Å; L62-L65 VanDerWaalsContact O-CB 3.29Å; L62-L65 WeakPolarHBondContact O-CB 3.15Å; L62-L65 PolarHBondContact O-N 3.48Å
63N63.1Low51.9Low97 Ų97106.1 Ų106.152%0.51956%0.555SS.*Hα-helixtrans-51.3-29.6-179.9-16169000114N61 L65 H66 E67N61-N63 PolarHBondContact O-N 3.26Å; N61-N63 VanDerWaalsContact O-N 3.11Å; N61-N63 WeakPolarHBondContact OD1-CB 3.37Å; N61-N63 PolarHBondContact OD1-N 3.37Å; N61-N63 VanDerWaalsContact OD1-N 3.16Å; N63-L65 PolarHBondContact O-N 3.49Å; N63-H66 WeakPolarHBondContact O-CB 3.41Å; N63-H66 PolarHBondContact O-N 3.33Å; N63-E67 PolarHBondContact O-N 3.39Å
64W57.2Low52.1Low147 Ų147109 Ų10956%0.55756%0.561SS**Hα-helixtrans-58-30.9175.567.5-90.9000114L62 N68L62-W64 PolarHBondContact O-N 2.83Å; W64-N68 PolarHBondContact O-N 2.72Å; W64-N68 PolarHBondContact O-ND2 2.98Å; W64-N68 VanDerWaalsContact O-ND2 3.08Å
65L58.2Low51.7Low65 Ų65112.2 Ų112.234%0.3457%0.565SS.*Hα-helixtrans-77.8-29.2-177.4-156.6147.8000111L62 N63 L69L62-L65 VanDerWaalsContact O-CB 3.29Å; L62-L65 WeakPolarHBondContact O-CB 3.15Å; L62-L65 PolarHBondContact O-N 3.48Å; N63-L65 PolarHBondContact O-N 3.49Å; L65-L69 HydrophobicContact CD2-CB 4.36Å; L65-L69 HydrophobicContact CD2-CD2 3.85Å; L65-L69 HydrophobicContact CG-CB 4.45Å; L65-L69 HydrophobicContact CG-CD2 4.08Å; L65-L69 WeakPolarHBondContact O-CB 3.32Å; L65-L69 PolarHBondContact O-N 3.49Å
66H55.8Low51Low117 Ų117109.8 Ų109.854%0.54258%0.575SS.*Iπ-helixtrans-67.1-49.6175.9-133.8-101.8000111.4N63N63-H66 WeakPolarHBondContact O-CB 3.41Å; N63-H66 PolarHBondContact O-N 3.33Å
67E56.4Low50.1Low97 Ų97108.8 Ų108.845%0.45359%0.587SS.*Iπ-helixtrans-79.2-24.4-173.5-55.5-62.495.200114.3N63 Q71N63-E67 PolarHBondContact O-N 3.39Å; E67-Q71 PolarHBondContact O-OE1 2.81Å; E67-Q71 VanDerWaalsContact O-OE1 3.09Å
68N54.2Low50.1Low106 Ų106107.8 Ų107.857%0.56759%0.593SS**Iπ-helixtrans-110.3-21.3-173.9-68-98.3000114.2W64 N72W64-N68 PolarHBondContact O-N 2.72Å; W64-N68 PolarHBondContact O-ND2 2.98Å; W64-N68 VanDerWaalsContact O-ND2 3.08Å; N68-N72 VanDerWaalsContact O-CG 3.3Å; N68-N72 PolarHBondContact O-ND2 3.25Å; N68-N72 VanDerWaalsContact O-ND2 3.15Å
69L54.3Low49.3Very low78 Ų78113 Ų11341%0.40862%0.617SS.*Iπ-helixtrans-105.2-48.6-175.9-156.965.9000111.7L65 N72 F73L65-L69 HydrophobicContact CD2-CB 4.36Å; L65-L69 HydrophobicContact CD2-CD2 3.85Å; L65-L69 HydrophobicContact CG-CB 4.45Å; L65-L69 HydrophobicContact CG-CD2 4.08Å; L65-L69 WeakPolarHBondContact O-CB 3.32Å; L65-L69 PolarHBondContact O-N 3.49Å; L69-N72 PolarHBondContact O-N 3.01Å; L69-F73 HydrophobicContact CD1-CD2 4.41Å; L69-F73 HydrophobicContact CD1-CE2 3.82Å; L69-F73 HydrophobicContact CG-CD2 4.07Å; L69-F73 HydrophobicContact CG-CE2 3.82Å; L69-F73 VanDerWaalsContact O-CD2 3.27Å; L69-F73 WeakPolarHBondContact O-CD2 3.22Å; L69-F73 PolarHBondContact O-N 3.34Å
70L54.3Low48.8Very low82 Ų82110.9 Ų110.943%0.42962%0.617SS.*Iπ-helixtrans-70.9-35.8-177.6-65.9173.2000113.1N72 F73 T74L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.28Å; L70-F73 PolarHBondContact O-N 3.41Å; L70-T74 PolarHBondContact O-N 2.87Å; L70-T74 PolarHBondContact O-OG1 2.95Å
71Q56.3Low47.9Very low115 Ų115113.9 Ų113.954%0.53762%0.623SS.*Hα-helixtrans-58.1-40.5170.4-113.4111.373.200111.8E67E67-Q71 PolarHBondContact O-OE1 2.81Å; E67-Q71 VanDerWaalsContact O-OE1 3.09Å
72N42.5Very low47.3Very low126 Ų126114.2 Ų114.267%0.67463%0.629SS**Hα-helixtrans-75.2-26.5-176.9-69.26.1000113.5N68 L69 L70N68-N72 VanDerWaalsContact O-CG 3.3Å; N68-N72 PolarHBondContact O-ND2 3.25Å; N68-N72 VanDerWaalsContact O-ND2 3.15Å; L69-N72 PolarHBondContact O-N 3.01Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-N72 PolarHBondContact O-N 3.28Å
73F42.9Very low46.3Very low156 Ų156114.6 Ų114.668%0.68464%0.641SS**Hα-helixtrans-86.6-12.8177.8-80.5-63.5000114.5L69 L70 L75L69-F73 HydrophobicContact CD1-CD2 4.41Å; L69-F73 HydrophobicContact CD1-CE2 3.82Å; L69-F73 HydrophobicContact CG-CD2 4.07Å; L69-F73 HydrophobicContact CG-CE2 3.82Å; L69-F73 VanDerWaalsContact O-CD2 3.27Å; L69-F73 WeakPolarHBondContact O-CD2 3.22Å; L69-F73 PolarHBondContact O-N 3.34Å; L70-F73 PolarHBondContact O-N 3.41Å; F73-L75 PolarHBondContact O-N 2.98Å
74T44.6Very low44.8Very low114 Ų114113.5 Ų113.570%0.69965%0.653SS**SBendtrans-79.7-15.1-173.3-60.70000113.5L70L70-T74 PolarHBondContact O-N 2.87Å; L70-T74 PolarHBondContact O-OG1 2.95Å
75L43.3Very low44.1Very low161 Ų161112.2 Ų112.284%0.84367%0.666SS**  trans-126.479.2-179.5-67.1175.8000111.6F73F73-L75 PolarHBondContact O-N 2.98Å
76G33.4Very low43.4Very low81 Ų81113.9 Ų113.984%0.83568%0.681SS**  trans-143.471.317900000112.9
77G30.6Very low42.4Very low70 Ų70115.8 Ų115.872%0.72269%0.694SS**  trans-157.5140.9175.400000109.8
78P48Very low41.4Very low127 Ų127120.4 Ų120.483%0.82571%0.713SS**  trans-92.7149.8-153.635.5-36.7000114.6
79E31.5Very low40.4Very low183 Ų183121.2 Ų121.286%0.85572%0.718SS**  trans-162.8154.9131-101.1-66.479.400107.4
80A40.3Very low39.9Very low75 Ų75125.5 Ų125.562%0.6274%0.739SS**  trans-106.9136.7-179.200000111.9
81Q33.3Very low38.9Very low177 Ų177130.6 Ų130.683%0.82776%0.761SS**  trans-169145136-108.7154.5110.600117
82T32.7Very low37.8Very low112 Ų112128 Ų12869%0.68777%0.765SS**  trans2.6131.415057.80000121.6
83S40.4Very low37.6Very low120 Ų120127.8 Ų127.884%0.83976%0.764SS**  trans39.8114.513764.90000120.7
84G31.6Very low37.3Very low74 Ų74130.8 Ų130.876%0.76377%0.772SS**  trans179.7105.9159.200000112.8
85S42.4Very low36.9Very low121 Ų121133.7 Ų133.785%0.84678%0.775SS**  trans-81.2123.1168-62.30000109.1L87S85-L87 PolarHBondContact O-N 3.01Å
86P43.2Very low36.5Very low100 Ų100134.5 Ų134.565%0.64977%0.774SS**  trans-73.8102.1177.128.9-32.7000110.4F88P86-F88 HydrophobicContact CB-CD2 4.4Å; P86-F88 HydrophobicContact CB-CE2 3.94Å; P86-F88 HydrophobicContact CB-CZ 4.38Å; P86-F88 HydrophobicContact CG-CE2 4.07Å; P86-F88 PolarHBondContact O-N 2.98Å
87L34.6Very low36.6Very low156 Ų156137.9 Ų137.982%0.81777%0.773SS**  trans-64.9113.8159.1-178.774.4000107.6S85 D89S85-L87 PolarHBondContact O-N 3.01Å; L87-D89 PolarHBondContact O-N 3.46Å
88F36Very low36.9Very low194 Ų194143.5 Ų143.585%0.85178%0.781SS**  trans-87.8102.2172.7-80.6-78.7000109.8P86P86-F88 HydrophobicContact CB-CD2 4.4Å; P86-F88 HydrophobicContact CB-CE2 3.94Å; P86-F88 HydrophobicContact CB-CZ 4.38Å; P86-F88 HydrophobicContact CG-CE2 4.07Å; P86-F88 PolarHBondContact O-N 2.98Å
89D32.8Very low36.2Very low124 Ų124140.7 Ų140.766%0.66378%0.775SS**  trans-108.2131.5170.5-162.8-10.7000108.9L87L87-D89 PolarHBondContact O-N 3.46Å
90I42.8Very low37.5Very low168 Ų168137.8 Ų137.886%0.86277%0.772SS**  trans176.5105161.4-95.4153.9000106.1
91E33.9Very low37.3Very low188 Ų188140 Ų14088%0.87978%0.783SS**  trans-82.9122.3-178.5-169.3174.2176.700110.7
92G33.9Very low37.5Very low60 Ų60137.2 Ų137.262%0.61978%0.783SS**  trans-110.4101.7178.400000111.8Y94G92-Y94 PolarHBondContact O-N 3.41Å
93D37.3Very low38.1Very low123 Ų123137 Ų13766%0.65879%0.787SS**  trans-64.9126.5-175-175.38.2000113.4K95D93-K95 PolarHBondContact OD1-N 3.42Å
94Y36.3Very low38.1Very low218 Ų218136.4 Ų136.486%0.85578%0.782SS**  trans-14879.914754.9-82.7000111.1G92 Q96G92-Y94 PolarHBondContact O-N 3.41Å; Y94-Q96 PolarHBondContact O-N 3.16Å
95K37.4Very low38.8Very low175 Ų175138.3 Ų138.376%0.76178%0.784SS**  trans-56.8107.8176.2-83.1172.8-179.8165.60114.3D93D93-K95 PolarHBondContact OD1-N 3.42Å
96Q34.3Very low38.7Very low178 Ų178136.1 Ų136.183%0.83277%0.769SS**  44.6103.1118-173-178.37.200116.9Y94Y94-Q96 PolarHBondContact O-N 3.16Å
97N34.6Very low38.8Very low152 Ų152137.1 Ų137.181%0.81378%0.778SS**  trans-145.498.7159.6-164.72.9000113.1
98Q37.1Very low39.5Very low188 Ų188134.3 Ų134.388%0.87977%0.771SS**  trans-175.2147.7145.3-104.5157109.700110.5
99G34.5Very low40Very low68 Ų68132.2 Ų132.270%0.70176%0.764SS**  trans-91.1177-176.500000114.6
100P57.4Low40.6Very low122 Ų122132.3 Ų132.379%0.79277%0.765SS**  trans-86.5168.1-178.735.7-36.2000113.9
101S37.4Very low40.8Very low123 Ų123134 Ų13486%0.8676%0.76SS**  trans73.5147.3-179.585.50000114.7
102S37.1Very low41.5Very low118 Ų118126.8 Ų126.883%0.82574%0.736SS**  cis-142.1-178.93.162.70000111.9
103S44.8Very low42.2Very low108 Ų108133.9 Ų133.976%0.75574%0.744SS**  trans-76.4137.3-168.953.20000115.8
104S41.3Very low43Very low107 Ų107131.4 Ų131.475%0.74873%0.728SS**  -178.1152.2125.238.90000114.7
105S46Very low43.8Very low113 Ų113129.8 Ų129.879%0.7972%0.721SS**  trans37.596.1155.256.30000120.7
106S40.8Very low44.6Very low76 Ų76125.6 Ų125.653%0.53171%0.707SS.*  trans-156.969.1144.653.30000113.2S108 Q109S106-S108 PolarHBondContact O-N 2.97Å; S106-Q109 PolarHBondContact O-N 2.96Å
107S45.3Very low45.8Very low121 Ų121120.1 Ų120.185%0.84669%0.688SS**THydrogen-bonded Turntrans-61.9-2.4177.145.70000115.3
108S48.7Very low47.2Very low96 Ų96116.1 Ų116.167%0.67167%0.666SS**THydrogen-bonded Turntrans-82.7-24.4-178.6-48.50000114.8S106 N110S106-S108 PolarHBondContact O-N 2.97Å; S108-N110 VanDerWaalsContact C-N 3.32Å; S108-N110 PolarHBondContact O-N 3.47Å
109Q46.2Very low49Very low151 Ų151112.9 Ų112.971%0.70665%0.649SS**THydrogen-bonded Turntrans-68.6-26.8-171.1-69.9-166.5-8.300114S106 R111 G112S106-Q109 PolarHBondContact O-N 2.96Å; Q109-R111 VanDerWaalsContact C-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.24Å; Q109-G112 PolarHBondContact O-N 3.48Å; Q109-G112 VanDerWaalsContact O-N 3.16Å
110N46Very low51.4Low126 Ų126112.5 Ų112.567%0.67464%0.636SS**Hα-helixtrans-66.5-32.2-173.8-139.517.9000112.7S108 G112 R113 E114S108-N110 VanDerWaalsContact C-N 3.32Å; S108-N110 PolarHBondContact O-N 3.47Å; N110-G112 PolarHBondContact O-N 3.31Å; N110-R113 PolarHBondContact O-N 3.05Å; N110-E114 PolarHBondContact O-N 3.4Å
111R47.3Very low52.8Low204 Ų204113.8 Ų113.877%0.7763%0.629SS**Hα-helixtrans-66.7-21.3177.1-69-170.6176.7-156.8-1.6113.6Q109 R115Q109-R111 VanDerWaalsContact C-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.24Å; R111-R115 VanDerWaalsContact O-CB 3.31Å; R111-R115 WeakPolarHBondContact O-CB 3.4Å; R111-R115 PolarHBondContact O-N 2.78Å
112G46.9Very low55.3Low35 Ų35108.6 Ų108.636%0.36159%0.592SS.*Hα-helixtrans-69.4-53.3175.500000111.9Q109 N110 E114 R115 D116Q109-G112 PolarHBondContact O-N 3.48Å; Q109-G112 VanDerWaalsContact O-N 3.16Å; N110-G112 PolarHBondContact O-N 3.31Å; G112-E114 VanDerWaalsContact C-N 3.29Å; G112-E114 PolarHBondContact O-N 2.68Å; G112-R115 WeakPolarHBondContact O-CB 3.33Å; G112-R115 PolarHBondContact O-N 3.3Å; G112-R115 VanDerWaalsContact O-N 3.15Å; G112-D116 PolarHBondContact O-N 2.82Å; G112-D116 VanDerWaalsContact O-N 3.08Å
113R50.4Low57.9Low209 Ų209106.4 Ų106.479%0.78958%0.575SS**Hα-helixtrans-59.2-38.1-179.9-78-173167-143-3.2113.1N110 S117N110-R113 PolarHBondContact O-N 3.05Å; R113-S117 WeakPolarHBondContact O-CB 3.17Å; R113-S117 PolarHBondContact O-N 3.11Å
114E53.1Low60.3Low72 Ų72102.8 Ų102.834%0.33655%0.546SS..Hα-helixtrans-65.3-46.7175.7-170179.3-173.200111.8N110 G112 D116 S117 L118 A218 H219N110-E114 PolarHBondContact O-N 3.4Å; G112-E114 VanDerWaalsContact C-N 3.29Å; G112-E114 PolarHBondContact O-N 2.68Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.47Å; E114-S117 WeakPolarHBondContact O-CB 3.32Å; E114-S117 PolarHBondContact O-N 3.03Å; E114-L118 PolarHBondContact O-N 2.64Å; E114-L118 VanDerWaalsContact O-N 3.12Å; E114-A218 HydrophobicContact CG-CB 4.22Å; E114-H219 IonicContact OE1-CE1 3.19Å; E114-H219 PolarHBondContact OE1-CE1 3.08Å; E114-H219 IonicContact OE1-ND1 3.03Å; E114-H219 PolarHBondContact OE1-ND1 2.91Å
115R52.7Low62.9Low183 Ų183100.9 Ų100.969%0.69153%0.533SS*.Hα-helixtrans-59.6-33.7177.5-172.672.4160.1-158.3-4.3113R111 G112R111-R115 VanDerWaalsContact O-CB 3.31Å; R111-R115 WeakPolarHBondContact O-CB 3.4Å; R111-R115 PolarHBondContact O-N 2.78Å; G112-R115 WeakPolarHBondContact O-CB 3.33Å; G112-R115 PolarHBondContact O-N 3.3Å; G112-R115 VanDerWaalsContact O-N 3.15Å
116D55.6Low65.4Low88 Ų8898 Ų9847%0.47151%0.506SS..Hα-helixtrans-85.6-29.9176.7-67.1-38.2000112.7G112 E114 L118 K119 S120G112-D116 PolarHBondContact O-N 2.82Å; G112-D116 VanDerWaalsContact O-N 3.08Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.47Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 3.44Å; D116-K119 WeakPolarHBondContact O-CB 3.22Å; D116-K119 PolarHBondContact O-N 3.33Å; D116-K119 WeakPolarHBondContact OD1-CE 3.48Å; D116-K119 IonicContact OD1-NZ 3.71Å; D116-K119 PolarHBondContact OD1-NZ 3.34Å; D116-S120 PolarHBondContact O-N 3.32Å
117S59.3Low68.1Low63 Ų6395 Ų9544%0.44149%0.485SS..Hα-helixtrans-60.2-36.5170.5-171.90000111.9R113 E114 K119 S120R113-S117 WeakPolarHBondContact O-CB 3.17Å; R113-S117 PolarHBondContact O-N 3.11Å; E114-S117 WeakPolarHBondContact O-CB 3.32Å; E114-S117 PolarHBondContact O-N 3.03Å; S117-K119 PolarHBondContact O-N 2.93Å; S117-S120 WeakPolarHBondContact O-CB 3.34Å; S117-S120 PolarHBondContact O-N 3.28Å; S117-S120 PolarHBondContact O-OG 3.04Å
118L63.8Low70.6Confident67 Ų6789.5 Ų89.535%0.35145%0.446SS..THydrogen-bonded Turntrans-68.5-15174.3-69.6173.2000114.8E114 D116E114-L118 PolarHBondContact O-N 2.64Å; E114-L118 VanDerWaalsContact O-N 3.12Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 3.44Å
119K74.3Confident72.9Confident120 Ų12085 Ų8552%0.52241%0.414SS..THydrogen-bonded Turntrans-90.9-11.2171.2-56.9171.1-168.9164.30112.4D116 S117 Y157D116-K119 WeakPolarHBondContact O-CB 3.22Å; D116-K119 PolarHBondContact O-N 3.33Å; D116-K119 WeakPolarHBondContact OD1-CE 3.48Å; D116-K119 IonicContact OD1-NZ 3.71Å; D116-K119 PolarHBondContact OD1-NZ 3.34Å; S117-K119 PolarHBondContact O-N 2.93Å; K119-Y157 WeakPolarHBondContact O-CD2 3.46Å
120S84.4Confident75.4Confident60 Ų6077.8 Ų77.842%0.4238%0.381SS..SBendtrans-76.3158.9175.678.50000111.2D116 S117 P122 Y157D116-S120 PolarHBondContact O-N 3.32Å; S117-S120 WeakPolarHBondContact O-CB 3.34Å; S117-S120 PolarHBondContact O-N 3.28Å; S117-S120 PolarHBondContact O-OG 3.04Å; S120-P122 VanDerWaalsContact O-CD 3.31Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; S120-Y157 WeakPolarHBondContact O-CB 3.49Å
121K87.9Confident77.9Confident150 Ų15072.4 Ų72.465%0.65235%0.351SS*.PPolyproline II helixtrans-60.8119.6178.5-178175.9178.7-1790109.7Y157K121-Y157 HydrophobicContact CB-CD1 4.36Å; K121-Y157 HydrophobicContact CB-CD2 4.31Å; K121-Y157 HydrophobicContact CB-CE1 3.93Å; K121-Y157 HydrophobicContact CB-CE2 3.88Å; K121-Y157 HydrophobicContact CD-CE1 4.42Å; K121-Y157 HydrophobicContact CG-CD1 4.38Å; K121-Y157 HydrophobicContact CG-CE1 3.74Å
122P89.5Confident80.3Confident13 Ų1363.8 Ų63.88%0.08432%0.32CS..PPolyproline II helixtrans-62.5145.8-175.1-2433.8000112.8S120 F124 F155 F158S120-P122 VanDerWaalsContact O-CD 3.31Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; P122-F124 HydrophobicContact CB-CD2 3.82Å; P122-F124 PolarHBondContact O-N 3.13Å; P122-F155 HydrophobicContact CB-CD1 3.72Å; P122-F155 HydrophobicContact CB-CE1 4Å; P122-F155 HydrophobicContact CB-CG 4.33Å; P122-F155 HydrophobicContact CG-CB 3.76Å; P122-F155 HydrophobicContact CG-CD1 3.4Å; P122-F155 HydrophobicContact CG-CE1 4.19Å; P122-F155 HydrophobicContact CG-CG 3.72Å; P122-F158 HydrophobicContact CG-CE2 3.96Å
123P91.9Very high82.8Confident73 Ų7362.2 Ų62.247%0.47430%0.303SS..SBendtrans-77.947.917735.2-37.3000111.8Q213P123-Q213 PolarHBondContact O-OE1 3.5Å
124F94.4Very high85Confident32 Ų3252.3 Ų52.314%0.1427%0.266CS..  trans-133132.7-177.8-60.7-60.9000110.4P122 L128 L129 M132 F155 L210 Q213 F215P122-F124 HydrophobicContact CB-CD2 3.82Å; P122-F124 PolarHBondContact O-N 3.13Å; F124-L128 HydrophobicContact CB-CB 4.21Å; F124-L128 HydrophobicContact CD1-CB 4.34Å; F124-L128 HydrophobicContact CD1-CD1 4.11Å; F124-L129 HydrophobicContact CB-CD2 3.8Å; F124-L129 HydrophobicContact CB-CG 4.01Å; F124-L129 HydrophobicContact CD2-CD2 4.29Å; F124-L129 HydrophobicContact CG-CD2 4.39Å; F124-M132 HydrophobicContact CB-CE 4.46Å; F124-M132 HydrophobicContact CD1-CE 4.16Å; F124-M132 HydrophobicContact CD2-CE 3.99Å; F124-M132 HydrophobicContact CE1-CE 4.46Å; F124-M132 HydrophobicContact CE2-CE 4.3Å; F124-M132 HydrophobicContact CG-CE 3.94Å; F124-F155 AromaticContact CD2-CE1 3.81Å; F124-F155 HydrophobicContact CD2-CE1 3.81Å; F124-F155 AromaticContact CD2-CZ 3.69Å; F124-F155 HydrophobicContact CD2-CZ 3.69Å; F124-F155 AromaticContact CE2-CE1 3.73Å; F124-F155 HydrophobicContact CE2-CE1 3.73Å; F124-F155 AromaticContact CE2-CZ 3.72Å; F124-F155 HydrophobicContact CE2-CZ 3.72Å; F124-L210 HydrophobicContact CD1-CD1 4.14Å; F124-L210 HydrophobicContact CE1-CD1 3.75Å; F124-Q213 HydrophobicContact CD1-CG 3.94Å; F124-Q213 HydrophobicContact CE1-CB 4.02Å; F124-Q213 HydrophobicContact CE1-CG 3.91Å; F124-F215 HydrophobicContact CE1-CZ 4.45Å; F124-F215 HydrophobicContact CZ-CE1 4.01Å; F124-F215 HydrophobicContact CZ-CZ 4.23Å
125S96.4Very high87.1Confident67 Ų6750.6 Ų50.647%0.46926%0.258SS..  trans-69.7158.3167.965.90000110.5S127 L128 L129S125-S127 PolarHBondContact O-N 3.2Å; S125-L128 WeakPolarHBondContact O-CA 3.49Å; S125-L128 PolarHBondContact O-N 3.16Å; S125-L128 PolarHBondContact OG-N 3.35Å; S125-L129 PolarHBondContact O-N 3.32Å
126F97.7Very high89.3Confident52 Ų5247.4 Ų47.423%0.22825%0.251CS..Hα-helixtrans-55.8-34.7176.6-70-69.8000112.5L128 L129 I130 F158 W165 V169 N172F126-L128 VanDerWaalsContact C-N 3.34Å; F126-L128 PolarHBondContact O-N 3.16Å; F126-L129 HydrophobicContact CD1-CD1 4.07Å; F126-L129 HydrophobicContact CE1-CD1 4.46Å; F126-L129 PolarHBondContact O-N 3.48Å; F126-I130 WeakPolarHBondContact O-CB 3.4Å; F126-I130 WeakPolarHBondContact O-CD1 3.41Å; F126-I130 WeakPolarHBondContact O-CG1 3.39Å; F126-I130 PolarHBondContact O-N 3.38Å; F126-F158 HydrophobicContact CE1-CE1 4.04Å; F126-F158 HydrophobicContact CE1-CZ 4.36Å; F126-F158 HydrophobicContact CZ-CE1 4.41Å; F126-W165 HydrophobicContact CE1-CB 4.25Å; F126-W165 HydrophobicContact CZ-CB 4.17Å; F126-V169 HydrophobicContact CD1-CG2 3.66Å; F126-V169 HydrophobicContact CE1-CG2 4.1Å; F126-N172 HydrophobicContact CB-CB 4.22Å
127S97.9Very high91.2Very high14 Ų1443.6 Ų43.610%0.09823%0.231CC..Hα-helixtrans-62.2-36.5172.9-510000113S125 Y131 N172 N176 F179S125-S127 PolarHBondContact O-N 3.2Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.42Å; S127-N172 PolarHBondContact OG-OD1 3.26Å; S127-N176 PolarHBondContact OG-ND2 2.62Å; S127-N176 PolarHBondContact OG-OD1 3.47Å; S127-F179 WeakPolarHBondContact O-CZ 3.32Å
128L97.8Very high92.9Very high4 Ų447.1 Ų47.12%0.02125%0.252CS..Hα-helixtrans-73.3-37.5173.9-68.4-177.9000112.2F124 S125 F126 Y131 M132 A209 L210 Q213F124-L128 HydrophobicContact CB-CB 4.21Å; F124-L128 HydrophobicContact CD1-CB 4.34Å; F124-L128 HydrophobicContact CD1-CD1 4.11Å; S125-L128 WeakPolarHBondContact O-CA 3.49Å; S125-L128 PolarHBondContact O-N 3.16Å; S125-L128 PolarHBondContact OG-N 3.35Å; F126-L128 VanDerWaalsContact C-N 3.34Å; F126-L128 PolarHBondContact O-N 3.16Å; L128-Y131 PolarHBondContact O-N 2.96Å; L128-M132 WeakPolarHBondContact O-CE 3.43Å; L128-M132 WeakPolarHBondContact O-CG 3.35Å; L128-M132 PolarHBondContact O-N 3.15Å; L128-A209 HydrophobicContact CD2-CB 4.04Å; L128-L210 HydrophobicContact CD2-CB 4.15Å; L128-Q213 HydrophobicContact CD1-CG 3.74Å
129L97.7Very high94.3Very high1 Ų147.3 Ų47.31%0.00526%0.26CS..Hα-helixtrans-62.5-48174.8-64.2174.8000111.7F124 S125 F126 M132 A133 I151 F155 F158F124-L129 HydrophobicContact CB-CD2 3.8Å; F124-L129 HydrophobicContact CB-CG 4.01Å; F124-L129 HydrophobicContact CD2-CD2 4.29Å; F124-L129 HydrophobicContact CG-CD2 4.39Å; S125-L129 PolarHBondContact O-N 3.32Å; F126-L129 HydrophobicContact CD1-CD1 4.07Å; F126-L129 HydrophobicContact CE1-CD1 4.46Å; F126-L129 PolarHBondContact O-N 3.48Å; L129-M132 HydrophobicContact CD2-CE 4.01Å; L129-M132 PolarHBondContact O-N 2.87Å; L129-A133 PolarHBondContact O-N 3.49Å; L129-A133 VanDerWaalsContact O-N 3.09Å; L129-I151 HydrophobicContact CB-CD1 3.99Å; L129-I151 HydrophobicContact CB-CG1 4.21Å; L129-F155 HydrophobicContact CD2-CD2 3.58Å; L129-F155 HydrophobicContact CD2-CE2 3.37Å; L129-F155 HydrophobicContact CD2-CG 4.38Å; L129-F155 HydrophobicContact CD2-CZ 4.02Å; L129-F158 HydrophobicContact CD1-CE2 3.72Å; L129-F158 HydrophobicContact CD1-CZ 3.63Å
130I98.4Very high95.4Very high0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-61.6-43.8175.2-66.5160.7000110.6F126 A133 I134 I147 V169 N172 L173 F179F126-I130 WeakPolarHBondContact O-CB 3.4Å; F126-I130 WeakPolarHBondContact O-CD1 3.41Å; F126-I130 WeakPolarHBondContact O-CG1 3.39Å; F126-I130 PolarHBondContact O-N 3.38Å; I130-A133 PolarHBondContact O-N 3.37Å; I130-I134 HydrophobicContact CG2-CD1 3.7Å; I130-I134 HydrophobicContact CG2-CG1 4.42Å; I130-I134 WeakPolarHBondContact O-CG1 3.31Å; I130-I134 PolarHBondContact O-N 2.96Å; I130-I147 HydrophobicContact CG1-CG2 4.16Å; I130-I147 HydrophobicContact CG2-CD1 4.48Å; I130-V169 HydrophobicContact CD1-CG1 4.24Å; I130-V169 HydrophobicContact CG1-CG1 4.18Å; I130-N172 HydrophobicContact CD1-CB 3.78Å; I130-L173 HydrophobicContact CD1-CD2 4.22Å; I130-L173 HydrophobicContact CD1-CG 4.07Å; I130-L173 HydrophobicContact CG2-CD2 3.6Å; I130-F179 HydrophobicContact CB-CE1 4.14Å; I130-F179 HydrophobicContact CB-CE2 4.21Å; I130-F179 HydrophobicContact CB-CZ 3.83Å; I130-F179 HydrophobicContact CD1-CE2 4.23Å; I130-F179 HydrophobicContact CG2-CD1 3.71Å; I130-F179 HydrophobicContact CG2-CD2 4.19Å; I130-F179 HydrophobicContact CG2-CE1 3.45Å; I130-F179 VanDerWaalsContact CG2-CE1 3.45Å; I130-F179 HydrophobicContact CG2-CE2 3.96Å; I130-F179 HydrophobicContact CG2-CG 4.09Å; I130-F179 HydrophobicContact CG2-CZ 3.6Å
131Y98.4Very high95.9Very high13 Ų1344.2 Ų44.25%0.05124%0.241CC..Hα-helixtrans-57.5-50176.8172.1-105000111.5S127 L128 A133 I134 E135 V198 L206 I207 L210S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.42Å; L128-Y131 PolarHBondContact O-N 2.96Å; Y131-A133 PolarHBondContact O-N 3.44Å; Y131-I134 PolarHBondContact O-N 2.67Å; Y131-E135 HydrophobicContact CE1-CB 4.4Å; Y131-E135 HydrophobicContact CE2-CB 4.3Å; Y131-E135 WeakPolarHBondContact O-CB 3.48Å; Y131-E135 PolarHBondContact O-N 2.97Å; Y131-V198 HydrophobicContact CD2-CG1 4.17Å; Y131-V198 HydrophobicContact CD2-CG2 3.74Å; Y131-V198 HydrophobicContact CE2-CG1 4.35Å; Y131-V198 HydrophobicContact CE2-CG2 4.25Å; Y131-L206 HydrophobicContact CD1-CB 4.22Å; Y131-L206 HydrophobicContact CD2-CB 3.73Å; Y131-L206 HydrophobicContact CD2-CD1 3.53Å; Y131-L206 HydrophobicContact CD2-CG 4.24Å; Y131-L206 HydrophobicContact CE2-CB 4.13Å; Y131-L206 HydrophobicContact CE2-CD1 4.33Å; Y131-L206 HydrophobicContact CG-CB 3.81Å; Y131-L206 HydrophobicContact CG-CD1 4.03Å; Y131-L206 HydrophobicContact CG-CG 4.42Å; Y131-I207 HydrophobicContact CE1-CG1 4.38Å; Y131-I207 WeakPolarHBondContact OH-CG1 3.42Å; Y131-L210 HydrophobicContact CD1-CD2 4.36Å; Y131-L210 HydrophobicContact CE1-CD2 4.09Å
132M98Very high96.3Very high24 Ų2438.3 Ų38.312%0.11822%0.216CC..Hα-helixtrans-63.1-42.8-179.4-70.1-176.6-69.400112.5F124 L128 L129 E135 Q136 W150 F155 L210F124-M132 HydrophobicContact CB-CE 4.46Å; F124-M132 HydrophobicContact CD1-CE 4.16Å; F124-M132 HydrophobicContact CD2-CE 3.99Å; F124-M132 HydrophobicContact CE1-CE 4.46Å; F124-M132 HydrophobicContact CE2-CE 4.3Å; F124-M132 HydrophobicContact CG-CE 3.94Å; L128-M132 WeakPolarHBondContact O-CE 3.43Å; L128-M132 WeakPolarHBondContact O-CG 3.35Å; L128-M132 PolarHBondContact O-N 3.15Å; L129-M132 HydrophobicContact CD2-CE 4.01Å; L129-M132 PolarHBondContact O-N 2.87Å; M132-E135 PolarHBondContact O-N 3.09Å; M132-Q136 WeakPolarHBondContact O-CG 3.39Å; M132-Q136 PolarHBondContact O-N 3.39Å; M132-W150 HydrophobicContact CB-CH2 3.3Å; M132-W150 HydrophobicContact CB-CZ2 3.78Å; M132-W150 HydrophobicContact CB-CZ3 3.98Å; M132-W150 HydrophobicContact CE-CH2 4.22Å; M132-W150 HydrophobicContact CG-CH2 4.39Å; M132-W150 HydrophobicContact SD-CH2 4.38Å; M132-F155 HydrophobicContact CE-CE2 4.03Å; M132-F155 HydrophobicContact CE-CZ 3.93Å; M132-L210 HydrophobicContact CE-CD1 4.45Å; M132-L210 HydrophobicContact CG-CD1 4.29Å; M132-L210 HydrophobicContact CG-CD2 4.15Å; M132-L210 HydrophobicContact SD-CD1 3.76Å; M132-L210 HydrophobicContact SD-CD2 4.37Å
133A98.3Very high96.6Very high1 Ų139.3 Ų39.31%0.00822%0.223CC..Hα-helixtrans-57.8-51.1175.700000112.1L129 I130 Y131 E135 Q136 S137 L142 I147 W150L129-A133 PolarHBondContact O-N 3.49Å; L129-A133 VanDerWaalsContact O-N 3.09Å; I130-A133 PolarHBondContact O-N 3.37Å; Y131-A133 PolarHBondContact O-N 3.44Å; A133-E135 VanDerWaalsContact C-N 3.34Å; A133-E135 PolarHBondContact O-N 3.19Å; A133-Q136 PolarHBondContact O-N 2.97Å; A133-S137 PolarHBondContact O-N 2.86Å; A133-L142 HydrophobicContact CB-CD1 4.08Å; A133-L142 WeakPolarHBondContact O-CD1 3.37Å; A133-I147 HydrophobicContact CB-CG2 4.41Å; A133-W150 HydrophobicContact CB-CB 4.06Å; A133-W150 HydrophobicContact CB-CD2 3.56Å; A133-W150 HydrophobicContact CB-CE3 3.54Å; A133-W150 HydrophobicContact CB-CG 3.77Å; A133-W150 HydrophobicContact CB-CZ3 4.29Å
134I98.1Very high96.8Very high1 Ų137.4 Ų37.41%0.00521%0.21CC..Hα-helixtrans-67.7-36.6-180-63.3173.6000110.7I130 Y131 S137 K140 L142 I147 F179 W196 V198I130-I134 HydrophobicContact CG2-CD1 3.7Å; I130-I134 HydrophobicContact CG2-CG1 4.42Å; I130-I134 WeakPolarHBondContact O-CG1 3.31Å; I130-I134 PolarHBondContact O-N 2.96Å; Y131-I134 PolarHBondContact O-N 2.67Å; I134-S137 PolarHBondContact O-N 3.39Å; I134-S137 PolarHBondContact O-OG 2.99Å; I134-K140 VanDerWaalsContact CG2-C 3.47Å; I134-K140 WeakPolarHBondContact CG2-O 3.49Å; I134-L142 HydrophobicContact CG1-CB 4.49Å; I134-I147 HydrophobicContact CD1-CD1 4.32Å; I134-I147 HydrophobicContact CG1-CD1 4.33Å; I134-F179 HydrophobicContact CD1-CD1 4.17Å; I134-W196 HydrophobicContact CD1-CB 4.39Å; I134-V198 HydrophobicContact CB-CG2 4.07Å; I134-V198 HydrophobicContact CD1-CG2 4.46Å; I134-V198 HydrophobicContact CG2-CG2 3.83Å
135E97.4Very high96.9Very high37 Ų3742 Ų4217%0.17323%0.23CC..Hα-helixtrans-67.6-36179.6-170.456-140.600112.8Y131 M132 A133 S137 K140 R203Y131-E135 HydrophobicContact CE1-CB 4.4Å; Y131-E135 HydrophobicContact CE2-CB 4.3Å; Y131-E135 WeakPolarHBondContact O-CB 3.48Å; Y131-E135 PolarHBondContact O-N 2.97Å; M132-E135 PolarHBondContact O-N 3.09Å; A133-E135 VanDerWaalsContact C-N 3.34Å; A133-E135 PolarHBondContact O-N 3.19Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-K140 PolarHBondContact O-NZ 3.29Å; E135-K140 IonicContact OE1-NZ 2.73Å; E135-K140 PolarHBondContact OE1-NZ 3.26Å; E135-R203 IonicContact OE1-CZ 3.61Å; E135-R203 IonicContact OE1-NH1 2.67Å; E135-R203 IonicContact OE1-NH2 3.6Å; E135-R203 PolarHBondContact OE1-NH2 3.09Å; E135-R203 IonicContact OE2-CZ 3.74Å; E135-R203 IonicContact OE2-NH1 3.44Å; E135-R203 PolarHBondContact OE2-NH1 3.49Å; E135-R203 IonicContact OE2-NH2 3.11Å; E135-R203 PolarHBondContact OE2-NH2 3.44Å
136Q97.2Very high96.9Very high116 Ų11643.4 Ų43.454%0.54223%0.229SC..Hα-helixtrans-77.6-19.9176.3-68.5-175.76.200113M132 A133 H154M132-Q136 WeakPolarHBondContact O-CG 3.39Å; M132-Q136 PolarHBondContact O-N 3.39Å; A133-Q136 PolarHBondContact O-N 2.97Å; Q136-H154 PolarHBondContact OE1-NE2 2.86Å
137S96.5Very high96.9Very high8 Ų840.9 Ų40.96%0.05622%0.218CC..SBendtrans-64.6136.6175.676.20000112.3A133 I134 E135 S139 K140 S141A133-S137 PolarHBondContact O-N 2.86Å; I134-S137 PolarHBondContact O-N 3.39Å; I134-S137 PolarHBondContact O-OG 2.99Å; E135-S137 VanDerWaalsContact C-N 3.34Å; S137-S139 PolarHBondContact O-N 3.29Å; S137-K140 PolarHBondContact O-N 2.93Å; S137-K140 VanDerWaalsContact O-N 3.09Å; S137-K140 VanDerWaalsContact OG-CA 3.32Å; S137-K140 WeakPolarHBondContact OG-CA 3.36Å; S137-K140 PolarHBondContact OG-N 3.15Å; S137-S141 PolarHBondContact OG-N 3.17Å
138P94.9Very high96.9Very high136 Ų13642 Ų4288%0.88322%0.221SC*.THydrogen-bonded Turntrans-65.9-29.1-179.926.8-34.7000112.2K140P138-K140 VanDerWaalsContact C-N 3.31Å
139S93.8Very high96.8Very high72 Ų7243.6 Ų43.650%0.50324%0.237SC..THydrogen-bonded Turntrans-80.8-3176.244.80000114.3S137 S141S137-S139 PolarHBondContact O-N 3.29Å; S139-S141 PolarHBondContact O-N 3.12Å; S139-S141 PolarHBondContact O-OG 3.37Å; S139-S141 PolarHBondContact OG-O 3.08Å
140K96.4Very high96.8Very high95 Ų9544.7 Ų44.741%0.41324%0.241SC..SBendtrans45.530.6-169.3-56.8-64.6176.7176.70113.1I134 E135 S137 P138 C197I134-K140 VanDerWaalsContact CG2-C 3.47Å; I134-K140 WeakPolarHBondContact CG2-O 3.49Å; E135-K140 PolarHBondContact O-NZ 3.29Å; E135-K140 IonicContact OE1-NZ 2.73Å; E135-K140 PolarHBondContact OE1-NZ 3.26Å; S137-K140 PolarHBondContact O-N 2.93Å; S137-K140 VanDerWaalsContact O-N 3.09Å; S137-K140 VanDerWaalsContact OG-CA 3.32Å; S137-K140 WeakPolarHBondContact OG-CA 3.36Å; S137-K140 PolarHBondContact OG-N 3.15Å; P138-K140 VanDerWaalsContact C-N 3.31Å; K140-C197 WeakPolarHBondContact O-CB 3.19Å
141S95.5Very high96.7Very high20 Ų2044.7 Ų44.714%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-163.7135.9-174.854.20000110.8S137 S139 W196S137-S141 PolarHBondContact OG-N 3.17Å; S139-S141 PolarHBondContact O-N 3.12Å; S139-S141 PolarHBondContact O-OG 3.37Å; S139-S141 PolarHBondContact OG-O 3.08Å; S141-W196 CarbonylContact C-O 3.51Å; S141-W196 WeakPolarHBondContact CA-O 3.45Å
142L95.9Very high96.6Very high25 Ų2546.9 Ų46.913%0.13125%0.254CS..EExtended strand (participates in β ladder)trans-135.8149.1-175.4-72.5-180000112.7A133 I134 E146 I147 W196A133-L142 HydrophobicContact CB-CD1 4.08Å; A133-L142 WeakPolarHBondContact O-CD1 3.37Å; I134-L142 HydrophobicContact CG1-CB 4.49Å; L142-E146 HydrophobicContact CB-CB 4.42Å; L142-E146 HydrophobicContact CD1-CB 4.4Å; L142-E146 HydrophobicContact CD2-CB 4Å; L142-I147 HydrophobicContact CB-CD1 4.35Å; L142-I147 HydrophobicContact CB-CG1 3.89Å; L142-I147 HydrophobicContact CD1-CG1 4.07Å; L142-W196 PolarHBondContact N-O 2.96Å; L142-W196 PolarHBondContact O-N 2.92Å
143P96Very high96.5Very high35 Ų3552.6 Ų52.623%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-66.8155.4159.2-720.5000111.2K145 E146 I147 L195P143-K145 PolarHBondContact O-N 3.46Å; P143-E146 HydrophobicContact CB-CG 4.29Å; P143-E146 HydrophobicContact CG-CG 3.79Å; P143-E146 PolarHBondContact O-N 3.46Å; P143-E146 VanDerWaalsContact O-N 3.13Å; P143-I147 PolarHBondContact O-N 3.23Å; P143-L195 HydrophobicContact CB-CD2 4.3Å; P143-L195 VanDerWaalsContact CD-CD2 3.49Å; P143-L195 HydrophobicContact CG-CD2 3.64Å
144V96.3Very high96.3Very high33 Ų3355.8 Ų55.820%0.230%0.295CS..Hα-helixtrans-59-32.4179.3-168.50000112.9E146 I147 Y148 R170 L173V144-E146 PolarHBondContact O-N 3.35Å; V144-I147 PolarHBondContact O-N 2.86Å; V144-Y148 HydrophobicContact CG1-CE1 3.94Å; V144-Y148 HydrophobicContact CG1-CE2 4.12Å; V144-Y148 PolarHBondContact O-N 3.22Å; V144-Y148 VanDerWaalsContact O-N 3.16Å; V144-R170 HydrophobicContact CG1-CG 4.22Å; V144-L173 HydrophobicContact CG1-CD1 4.14Å; V144-L173 HydrophobicContact CG2-CD1 3.99Å
145K95.8Very high96.1Very high129 Ų12957.1 Ų57.156%0.56130%0.301SS*.Hα-helixtrans-61.9-42.6177-178.8163.9179.6151.90112.2E55 P143 I147 Y148 G149E55-K145 IonicContact OE1-NZ 3.72Å; P143-K145 PolarHBondContact O-N 3.46Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.16Å; K145-Y148 WeakPolarHBondContact O-CB 3.16Å; K145-Y148 PolarHBondContact O-N 3.29Å; K145-Y148 VanDerWaalsContact O-N 3.16Å; K145-G149 PolarHBondContact O-N 3.08Å
146E96.8Very high95.9Very high95 Ų9558.1 Ų58.144%0.44431%0.31SS..Hα-helixtrans-71.5-30.9-179.4-47.7-44.8119.100111.7L142 P143 V144 Y148 G149 W150L142-E146 HydrophobicContact CB-CB 4.42Å; L142-E146 HydrophobicContact CD1-CB 4.4Å; L142-E146 HydrophobicContact CD2-CB 4Å; P143-E146 HydrophobicContact CB-CG 4.29Å; P143-E146 HydrophobicContact CG-CG 3.79Å; P143-E146 PolarHBondContact O-N 3.46Å; P143-E146 VanDerWaalsContact O-N 3.13Å; V144-E146 PolarHBondContact O-N 3.35Å; E146-Y148 VanDerWaalsContact C-N 3.32Å; E146-G149 PolarHBondContact O-N 3.25Å; E146-W150 WeakPolarHBondContact O-CB 3.45Å; E146-W150 PolarHBondContact O-N 3.35Å
147I97.9Very high95.7Very high0 Ų055.7 Ų55.70%030%0.296CS..Hα-helixtrans-64-38.5171.2-60.1171.2000110.5I130 A133 I134 L142 P143 V144 K145 I151 V169 L173I130-I147 HydrophobicContact CG1-CG2 4.16Å; I130-I147 HydrophobicContact CG2-CD1 4.48Å; A133-I147 HydrophobicContact CB-CG2 4.41Å; I134-I147 HydrophobicContact CD1-CD1 4.32Å; I134-I147 HydrophobicContact CG1-CD1 4.33Å; L142-I147 HydrophobicContact CB-CD1 4.35Å; L142-I147 HydrophobicContact CB-CG1 3.89Å; L142-I147 HydrophobicContact CD1-CG1 4.07Å; P143-I147 PolarHBondContact O-N 3.23Å; V144-I147 PolarHBondContact O-N 2.86Å; K145-I147 VanDerWaalsContact C-N 3.33Å; K145-I147 PolarHBondContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.98Å; I147-I151 WeakPolarHBondContact O-CB 3.49Å; I147-I151 WeakPolarHBondContact O-CD1 3.35Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 2.77Å; I147-V169 HydrophobicContact CG2-CG1 3.96Å; I147-L173 HydrophobicContact CD1-CD1 4.18Å; I147-L173 HydrophobicContact CD1-CD2 4.25Å
148Y96.8Very high95.6Very high38 Ų3855.9 Ų55.915%0.14930%0.296CS..Hα-helixtrans-65.1-44.3172.4-55.9-37.9000111.9V144 K145 E146 I151 L152 W165 K166 V169 R170V144-Y148 HydrophobicContact CG1-CE1 3.94Å; V144-Y148 HydrophobicContact CG1-CE2 4.12Å; V144-Y148 PolarHBondContact O-N 3.22Å; V144-Y148 VanDerWaalsContact O-N 3.16Å; K145-Y148 WeakPolarHBondContact O-CB 3.16Å; K145-Y148 PolarHBondContact O-N 3.29Å; K145-Y148 VanDerWaalsContact O-N 3.16Å; E146-Y148 VanDerWaalsContact C-N 3.32Å; Y148-I151 PolarHBondContact O-N 3.27Å; Y148-L152 WeakPolarHBondContact O-CG 3.44Å; Y148-L152 PolarHBondContact O-N 3.23Å; Y148-L152 VanDerWaalsContact O-N 3.09Å; Y148-W165 HydrophobicContact CD1-CH2 4.17Å; Y148-W165 AromaticContact CD1-CZ3 3.94Å; Y148-W165 HydrophobicContact CD1-CZ3 3.94Å; Y148-W165 HydrophobicContact CG-CH2 4.47Å; Y148-K166 HydrophobicContact CD1-CB 4.41Å; Y148-K166 HydrophobicContact CD1-CG 4.13Å; Y148-K166 HydrophobicContact CE1-CB 3.8Å; Y148-K166 HydrophobicContact CE1-CG 4.01Å; Y148-V169 HydrophobicContact CD1-CG1 4.34Å; Y148-V169 HydrophobicContact CE1-CB 4.19Å; Y148-V169 HydrophobicContact CE1-CG1 4.05Å; Y148-R170 WeakPolarHBondContact OH-CD 3.4Å; Y148-R170 VanDerWaalsContact OH-CG 3.31Å; Y148-R170 WeakPolarHBondContact OH-CG 3.43Å; Y148-R170 PolarHBondContact OH-NH1 3.32Å; Y148-R170 VanDerWaalsContact OH-NH1 3.07Å
149G96.9Very high95.5Very high36 Ų3652.9 Ų52.937%0.37128%0.278SS..Hα-helixtrans-60.1-51.317900000112.3K145 E146 I151 L152 E153K145-G149 PolarHBondContact O-N 3.08Å; E146-G149 PolarHBondContact O-N 3.25Å; G149-I151 VanDerWaalsContact C-N 3.33Å; G149-I151 PolarHBondContact O-N 3.02Å; G149-L152 PolarHBondContact O-N 3.42Å; G149-L152 VanDerWaalsContact O-N 3.15Å; G149-E153 WeakPolarHBondContact O-CB 3.41Å; G149-E153 PolarHBondContact O-N 3.26Å
150W97.6Very high95.3Very high25 Ų2556.8 Ų56.810%0.09529%0.294CS..Hα-helixtrans-58.2-42.7178.2-175.191.9000112.3M132 A133 E146 L152 E153 H154 F155M132-W150 HydrophobicContact CB-CH2 3.3Å; M132-W150 HydrophobicContact CB-CZ2 3.78Å; M132-W150 HydrophobicContact CB-CZ3 3.98Å; M132-W150 HydrophobicContact CE-CH2 4.22Å; M132-W150 HydrophobicContact CG-CH2 4.39Å; M132-W150 HydrophobicContact SD-CH2 4.38Å; A133-W150 HydrophobicContact CB-CB 4.06Å; A133-W150 HydrophobicContact CB-CD2 3.56Å; A133-W150 HydrophobicContact CB-CE3 3.54Å; A133-W150 HydrophobicContact CB-CG 3.77Å; A133-W150 HydrophobicContact CB-CZ3 4.29Å; E146-W150 WeakPolarHBondContact O-CB 3.45Å; E146-W150 PolarHBondContact O-N 3.35Å; W150-L152 PolarHBondContact O-N 3.19Å; W150-E153 PolarHBondContact O-N 3.08Å; W150-H154 AromaticContact CD1-CE1 3.44Å; W150-H154 VanDerWaalsContact CD1-CE1 3.44Å; W150-H154 AromaticContact CD1-ND1 3.58Å; W150-H154 AromaticContact CD2-ND1 3.76Å; W150-H154 AromaticContact CE2-CD2 3.8Å; W150-H154 AromaticContact CE2-CE1 3.69Å; W150-H154 AromaticContact CE2-CG 3.61Å; W150-H154 AromaticContact CE2-ND1 3.51Å; W150-H154 AromaticContact CE2-NE2 3.85Å; W150-H154 AromaticContact CG-ND1 3.8Å; W150-H154 HydrophobicContact CH2-CB 4.15Å; W150-H154 HydrophobicContact CZ2-CB 4.17Å; W150-H154 AromaticContact CZ2-CD2 3.64Å; W150-H154 AromaticContact CZ2-CG 3.66Å; W150-H154 HydrophobicContact CZ3-CB 4.36Å; W150-H154 AromaticContact NE1-CD2 3.92Å; W150-H154 AromaticContact NE1-CE1 3.16Å; W150-H154 PolarHBondContact NE1-CE1 2.91Å; W150-H154 AromaticContact NE1-CG 3.91Å; W150-H154 AromaticContact NE1-ND1 3.42Å; W150-H154 PolarHBondContact NE1-ND1 2.97Å; W150-H154 AromaticContact NE1-NE2 3.46Å; W150-H154 PolarHBondContact NE1-NE2 3.28Å; W150-H154 WeakPolarHBondContact O-CB 3.31Å; W150-H154 PolarHBondContact O-N 3.18Å; W150-H154 PolarHBondContact O-ND1 3.07Å; W150-F155 AromaticContact CH2-CE2 3.77Å; W150-F155 HydrophobicContact CH2-CE2 3.77Å; W150-F155 HydrophobicContact CZ3-CD2 4.24Å; W150-F155 AromaticContact CZ3-CE2 3.75Å; W150-F155 HydrophobicContact CZ3-CE2 3.75Å
151I96.9Very high94.8Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-63.5-40.9177.5-71.5172.7000111.4L129 I147 Y148 G149 F155 F158 W165 V169L129-I151 HydrophobicContact CB-CD1 3.99Å; L129-I151 HydrophobicContact CB-CG1 4.21Å; I147-I151 HydrophobicContact CG2-CD1 3.98Å; I147-I151 WeakPolarHBondContact O-CB 3.49Å; I147-I151 WeakPolarHBondContact O-CD1 3.35Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 2.77Å; Y148-I151 PolarHBondContact O-N 3.27Å; G149-I151 VanDerWaalsContact C-N 3.33Å; G149-I151 PolarHBondContact O-N 3.02Å; I151-F155 WeakPolarHBondContact O-CA 3.29Å; I151-F155 WeakPolarHBondContact O-CB 3.49Å; I151-F155 PolarHBondContact O-N 3.44Å; I151-F158 HydrophobicContact CG2-CB 4.03Å; I151-F158 HydrophobicContact CG2-CD1 4.48Å; I151-F158 HydrophobicContact CG2-CD2 3.36Å; I151-F158 HydrophobicContact CG2-CE2 3.88Å; I151-F158 HydrophobicContact CG2-CG 3.71Å; I151-W165 HydrophobicContact CB-CH2 4.49Å; I151-W165 HydrophobicContact CB-CZ3 4.33Å; I151-W165 HydrophobicContact CD1-CZ3 4.31Å; I151-W165 HydrophobicContact CG2-CH2 4.2Å; I151-W165 HydrophobicContact CG2-CZ3 3.95Å; I151-V169 HydrophobicContact CD1-CG2 3.96Å
152L95.6Very high94.4Very high58 Ų5857.1 Ų57.130%0.30431%0.307SS..Hα-helixtrans-68.2-39.1178.4-73.7166.7000112.6Y148 G149 W150 F158 W165Y148-L152 WeakPolarHBondContact O-CG 3.44Å; Y148-L152 PolarHBondContact O-N 3.23Å; Y148-L152 VanDerWaalsContact O-N 3.09Å; G149-L152 PolarHBondContact O-N 3.42Å; G149-L152 VanDerWaalsContact O-N 3.15Å; W150-L152 PolarHBondContact O-N 3.19Å; L152-F158 HydrophobicContact CD2-CB 4.09Å; L152-W165 HydrophobicContact CD1-CH2 4.49Å; L152-W165 HydrophobicContact CD1-CZ2 4.31Å; L152-W165 HydrophobicContact CD2-CH2 4.46Å; L152-W165 HydrophobicContact CD2-CZ2 3.87Å; L152-W165 HydrophobicContact CG-CH2 4.12Å; L152-W165 HydrophobicContact CG-CZ2 3.99Å
153E95.9Very high93.8Very high145 Ų14560.1 Ų60.168%0.67833%0.326SS*.Hα-helixtrans-65.7-47.8176.8179.6-178.1-151.100112G149 W150G149-E153 WeakPolarHBondContact O-CB 3.41Å; G149-E153 PolarHBondContact O-N 3.26Å; W150-E153 PolarHBondContact O-N 3.08Å
154H94.6Very high93.7Very high68 Ų6860.2 Ų60.232%0.31533%0.334SS..Hα-helixtrans-85.3-23.3-172.8-69.968.6000113.5Q136 W150Q136-H154 PolarHBondContact OE1-NE2 2.86Å; W150-H154 AromaticContact CD1-CE1 3.44Å; W150-H154 VanDerWaalsContact CD1-CE1 3.44Å; W150-H154 AromaticContact CD1-ND1 3.58Å; W150-H154 AromaticContact CD2-ND1 3.76Å; W150-H154 AromaticContact CE2-CD2 3.8Å; W150-H154 AromaticContact CE2-CE1 3.69Å; W150-H154 AromaticContact CE2-CG 3.61Å; W150-H154 AromaticContact CE2-ND1 3.51Å; W150-H154 AromaticContact CE2-NE2 3.85Å; W150-H154 AromaticContact CG-ND1 3.8Å; W150-H154 HydrophobicContact CH2-CB 4.15Å; W150-H154 HydrophobicContact CZ2-CB 4.17Å; W150-H154 AromaticContact CZ2-CD2 3.64Å; W150-H154 AromaticContact CZ2-CG 3.66Å; W150-H154 HydrophobicContact CZ3-CB 4.36Å; W150-H154 AromaticContact NE1-CD2 3.92Å; W150-H154 AromaticContact NE1-CE1 3.16Å; W150-H154 PolarHBondContact NE1-CE1 2.91Å; W150-H154 AromaticContact NE1-CG 3.91Å; W150-H154 AromaticContact NE1-ND1 3.42Å; W150-H154 PolarHBondContact NE1-ND1 2.97Å; W150-H154 AromaticContact NE1-NE2 3.46Å; W150-H154 PolarHBondContact NE1-NE2 3.28Å; W150-H154 WeakPolarHBondContact O-CB 3.31Å; W150-H154 PolarHBondContact O-N 3.18Å; W150-H154 PolarHBondContact O-ND1 3.07Å
155F94.2Very high93.6Very high29 Ų2959.6 Ų59.613%0.12733%0.328CS..  trans-135.980.8-175.9-61.2-70.3000111.5P122 F124 L129 M132 W150 I151 Y157 F158P122-F155 HydrophobicContact CB-CD1 3.72Å; P122-F155 HydrophobicContact CB-CE1 4Å; P122-F155 HydrophobicContact CB-CG 4.33Å; P122-F155 HydrophobicContact CG-CB 3.76Å; P122-F155 HydrophobicContact CG-CD1 3.4Å; P122-F155 HydrophobicContact CG-CE1 4.19Å; P122-F155 HydrophobicContact CG-CG 3.72Å; F124-F155 AromaticContact CD2-CE1 3.81Å; F124-F155 HydrophobicContact CD2-CE1 3.81Å; F124-F155 AromaticContact CD2-CZ 3.69Å; F124-F155 HydrophobicContact CD2-CZ 3.69Å; F124-F155 AromaticContact CE2-CE1 3.73Å; F124-F155 HydrophobicContact CE2-CE1 3.73Å; F124-F155 AromaticContact CE2-CZ 3.72Å; F124-F155 HydrophobicContact CE2-CZ 3.72Å; L129-F155 HydrophobicContact CD2-CD2 3.58Å; L129-F155 HydrophobicContact CD2-CE2 3.37Å; L129-F155 HydrophobicContact CD2-CG 4.38Å; L129-F155 HydrophobicContact CD2-CZ 4.02Å; M132-F155 HydrophobicContact CE-CE2 4.03Å; M132-F155 HydrophobicContact CE-CZ 3.93Å; W150-F155 AromaticContact CH2-CE2 3.77Å; W150-F155 HydrophobicContact CH2-CE2 3.77Å; W150-F155 HydrophobicContact CZ3-CD2 4.24Å; W150-F155 AromaticContact CZ3-CE2 3.75Å; W150-F155 HydrophobicContact CZ3-CE2 3.75Å; I151-F155 WeakPolarHBondContact O-CA 3.29Å; I151-F155 WeakPolarHBondContact O-CB 3.49Å; I151-F155 PolarHBondContact O-N 3.44Å; F155-Y157 PolarHBondContact O-N 2.93Å; F155-F158 HydrophobicContact CB-CD2 3.74Å; F155-F158 HydrophobicContact CB-CE2 4.04Å; F155-F158 PolarHBondContact O-N 3.05Å
156P92.7Very high93.7Very high57 Ų5756.6 Ų56.637%0.3731%0.314SS..G310 helixtrans-53.1-23.5-173.9-30.736.9000115.9F158 S159P156-F158 PolarHBondContact O-N 2.97Å; P156-S159 VanDerWaalsContact O-CB 3.29Å; P156-S159 WeakPolarHBondContact O-CB 3.11Å; P156-S159 PolarHBondContact O-N 3.13Å; P156-S159 VanDerWaalsContact O-N 3.08Å; P156-S159 PolarHBondContact O-OG 2.66Å
157Y93.6Very high93.6Very high65 Ų6555.5 Ų55.526%0.25531%0.312SS..G310 helixtrans-44.4-41.8168.1170.9-103.4000113.6K119 S120 K121 F155 S159 N160 A161K119-Y157 WeakPolarHBondContact O-CD2 3.46Å; S120-Y157 WeakPolarHBondContact O-CB 3.49Å; K121-Y157 HydrophobicContact CB-CD1 4.36Å; K121-Y157 HydrophobicContact CB-CD2 4.31Å; K121-Y157 HydrophobicContact CB-CE1 3.93Å; K121-Y157 HydrophobicContact CB-CE2 3.88Å; K121-Y157 HydrophobicContact CD-CE1 4.42Å; K121-Y157 HydrophobicContact CG-CD1 4.38Å; K121-Y157 HydrophobicContact CG-CE1 3.74Å; F155-Y157 PolarHBondContact O-N 2.93Å; Y157-S159 PolarHBondContact O-N 2.93Å; Y157-N160 PolarHBondContact O-N 3.04Å; Y157-A161 HydrophobicContact CD1-CB 4.41Å; Y157-A161 HydrophobicContact CE1-CB 4.03Å; Y157-A161 PolarHBondContact O-N 3.36Å
158F94.1Very high93.6Very high12 Ų1257.5 Ų57.55%0.05333%0.326CS..G310 helixtrans-71.7-14.8-175.6-70.4-73.3000114.3P122 F126 L129 I151 L152 F155 P156 N160 A161 W165P122-F158 HydrophobicContact CG-CE2 3.96Å; F126-F158 HydrophobicContact CE1-CE1 4.04Å; F126-F158 HydrophobicContact CE1-CZ 4.36Å; F126-F158 HydrophobicContact CZ-CE1 4.41Å; L129-F158 HydrophobicContact CD1-CE2 3.72Å; L129-F158 HydrophobicContact CD1-CZ 3.63Å; I151-F158 HydrophobicContact CG2-CB 4.03Å; I151-F158 HydrophobicContact CG2-CD1 4.48Å; I151-F158 HydrophobicContact CG2-CD2 3.36Å; I151-F158 HydrophobicContact CG2-CE2 3.88Å; I151-F158 HydrophobicContact CG2-CG 3.71Å; L152-F158 HydrophobicContact CD2-CB 4.09Å; F155-F158 HydrophobicContact CB-CD2 3.74Å; F155-F158 HydrophobicContact CB-CE2 4.04Å; F155-F158 PolarHBondContact O-N 3.05Å; P156-F158 PolarHBondContact O-N 2.97Å; F158-N160 PolarHBondContact O-N 3.29Å; F158-A161 HydrophobicContact CD1-CB 4.06Å; F158-W165 HydrophobicContact CB-CD2 4.41Å; F158-W165 HydrophobicContact CB-CZ2 4.12Å; F158-W165 HydrophobicContact CD1-CB 4.12Å; F158-W165 AromaticContact CD1-CD2 3.85Å; F158-W165 HydrophobicContact CD1-CD2 3.85Å; F158-W165 HydrophobicContact CD1-CE3 4.23Å; F158-W165 AromaticContact CD1-CG 3.81Å; F158-W165 HydrophobicContact CD1-CG 3.81Å; F158-W165 HydrophobicContact CE1-CB 4.28Å; F158-W165 HydrophobicContact CE1-CG 4.43Å; F158-W165 HydrophobicContact CG-CD2 4.45Å; F158-W165 PolarHBondContact O-NE1 3.39Å
159S91.8Very high93.7Very high73 Ų7355.7 Ų55.751%0.5132%0.319SS..G310 helixtrans-68-24.3173.4-57.20000112.8P156 Y157P156-S159 VanDerWaalsContact O-CB 3.29Å; P156-S159 WeakPolarHBondContact O-CB 3.11Å; P156-S159 PolarHBondContact O-N 3.13Å; P156-S159 VanDerWaalsContact O-N 3.08Å; P156-S159 PolarHBondContact O-OG 2.66Å; Y157-S159 PolarHBondContact O-N 2.93Å
160N89.6Confident93.7Very high155 Ų15557.8 Ų57.883%0.82932%0.315SS*.SBendtrans-1196.7177.8-61106.4000113Y157 F158Y157-N160 PolarHBondContact O-N 3.04Å; F158-N160 PolarHBondContact O-N 3.29Å
161A87Confident93.7Very high16 Ų1661.5 Ų61.513%0.13233%0.333CS..SBendtrans-76.6152.6-179.500000112.3Y157 F158 T163Y157-A161 HydrophobicContact CD1-CB 4.41Å; Y157-A161 HydrophobicContact CE1-CB 4.03Å; Y157-A161 PolarHBondContact O-N 3.36Å; F158-A161 HydrophobicContact CD1-CB 4.06Å; A161-T163 PolarHBondContact O-N 2.9Å
162P86.9Confident93.8Very high106 Ų10662.9 Ų62.969%0.68834%0.341SS*.  trans-53.8137.2176.3-26.535000112.6G164 W165P162-G164 PolarHBondContact O-N 2.86Å; P162-W165 VanDerWaalsContact O-CD1 3.31Å; P162-W165 PolarHBondContact O-N 3.01Å; P162-W165 VanDerWaalsContact O-N 3.14Å
163T82.1Confident93.9Very high87 Ų8760.2 Ų60.253%0.53433%0.327SS..THydrogen-bonded Turntrans-58.7-25.8-163.669.40000114.5E58 A161 W165 K166E58-T163 WeakPolarHBondContact OE1-CB 3.34Å; E58-T163 PolarHBondContact OE1-OG1 3.3Å; A161-T163 PolarHBondContact O-N 2.9Å; T163-W165 PolarHBondContact O-N 3.46Å; T163-K166 PolarHBondContact O-N 3.35Å
164G93.6Very high93.9Very high38 Ų3857.4 Ų57.439%0.39232%0.323SS..THydrogen-bonded Turntrans-53.9-18.5175.200000115.8P162 K166 N167 S168P162-G164 PolarHBondContact O-N 2.86Å; G164-K166 VanDerWaalsContact C-N 3.27Å; G164-K166 PolarHBondContact O-N 2.85Å; G164-N167 WeakPolarHBondContact O-CA 3.46Å; G164-N167 VanDerWaalsContact O-CB 3.28Å; G164-N167 WeakPolarHBondContact O-CB 3.5Å; G164-N167 PolarHBondContact O-N 3.49Å; G164-S168 PolarHBondContact O-N 3.48Å; G164-S168 PolarHBondContact O-OG 2.87Å
165W95.9Very high94Very high19 Ų1959.4 Ų59.47%0.07234%0.336CS..Hα-helixtrans-59-36178.278.7-105.1000113F126 Y148 I151 L152 F158 P162 T163 N167 S168 V169F126-W165 HydrophobicContact CE1-CB 4.25Å; F126-W165 HydrophobicContact CZ-CB 4.17Å; Y148-W165 HydrophobicContact CD1-CH2 4.17Å; Y148-W165 AromaticContact CD1-CZ3 3.94Å; Y148-W165 HydrophobicContact CD1-CZ3 3.94Å; Y148-W165 HydrophobicContact CG-CH2 4.47Å; I151-W165 HydrophobicContact CB-CH2 4.49Å; I151-W165 HydrophobicContact CB-CZ3 4.33Å; I151-W165 HydrophobicContact CD1-CZ3 4.31Å; I151-W165 HydrophobicContact CG2-CH2 4.2Å; I151-W165 HydrophobicContact CG2-CZ3 3.95Å; L152-W165 HydrophobicContact CD1-CH2 4.49Å; L152-W165 HydrophobicContact CD1-CZ2 4.31Å; L152-W165 HydrophobicContact CD2-CH2 4.46Å; L152-W165 HydrophobicContact CD2-CZ2 3.87Å; L152-W165 HydrophobicContact CG-CH2 4.12Å; L152-W165 HydrophobicContact CG-CZ2 3.99Å; F158-W165 HydrophobicContact CB-CD2 4.41Å; F158-W165 HydrophobicContact CB-CZ2 4.12Å; F158-W165 HydrophobicContact CD1-CB 4.12Å; F158-W165 AromaticContact CD1-CD2 3.85Å; F158-W165 HydrophobicContact CD1-CD2 3.85Å; F158-W165 HydrophobicContact CD1-CE3 4.23Å; F158-W165 AromaticContact CD1-CG 3.81Å; F158-W165 HydrophobicContact CD1-CG 3.81Å; F158-W165 HydrophobicContact CE1-CB 4.28Å; F158-W165 HydrophobicContact CE1-CG 4.43Å; F158-W165 HydrophobicContact CG-CD2 4.45Å; F158-W165 PolarHBondContact O-NE1 3.39Å; P162-W165 VanDerWaalsContact O-CD1 3.31Å; P162-W165 PolarHBondContact O-N 3.01Å; P162-W165 VanDerWaalsContact O-N 3.14Å; T163-W165 PolarHBondContact O-N 3.46Å; W165-N167 PolarHBondContact O-N 3.37Å; W165-S168 WeakPolarHBondContact O-CB 3.39Å; W165-S168 PolarHBondContact O-N 2.88Å; W165-V169 HydrophobicContact CE3-CG2 4.01Å; W165-V169 HydrophobicContact CZ3-CG2 4.16Å; W165-V169 PolarHBondContact O-N 3.44Å
166K96.1Very high94.1Very high66 Ų6659.8 Ų59.829%0.28734%0.339SS..Hα-helixtrans-62.5-33.8174-68.6-179-177.4173.60111.5Y148 T163 G164 R170Y148-K166 HydrophobicContact CD1-CB 4.41Å; Y148-K166 HydrophobicContact CD1-CG 4.13Å; Y148-K166 HydrophobicContact CE1-CB 3.8Å; Y148-K166 HydrophobicContact CE1-CG 4.01Å; T163-K166 PolarHBondContact O-N 3.35Å; G164-K166 VanDerWaalsContact C-N 3.27Å; G164-K166 PolarHBondContact O-N 2.85Å; K166-R170 WeakPolarHBondContact O-CG 3.17Å; K166-R170 PolarHBondContact O-N 3.49Å
167N96.6Very high94.3Very high72 Ų7264.7 Ų64.739%0.38536%0.355SS..Hα-helixtrans-72.2-40.8175.2-158.842.3000111.6G164 W165 V169 R170 H171G164-N167 WeakPolarHBondContact O-CA 3.46Å; G164-N167 VanDerWaalsContact O-CB 3.28Å; G164-N167 WeakPolarHBondContact O-CB 3.5Å; G164-N167 PolarHBondContact O-N 3.49Å; W165-N167 PolarHBondContact O-N 3.37Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-V169 PolarHBondContact O-N 3.21Å; N167-R170 PolarHBondContact O-N 3.01Å; N167-R170 PolarHBondContact OD1-NE 2.97Å; N167-R170 PolarHBondContact OD1-NH2 3.49Å; N167-H171 WeakPolarHBondContact O-CB 3.35Å; N167-H171 PolarHBondContact O-N 2.94Å
168S97.5Very high94.5Very high42 Ų4262.7 Ų62.729%0.29435%0.35SS..Hα-helixtrans-58.1-38.8173.3-51.10000112.2G164 W165 N172G164-S168 PolarHBondContact O-N 3.48Å; G164-S168 PolarHBondContact O-OG 2.87Å; W165-S168 WeakPolarHBondContact O-CB 3.39Å; W165-S168 PolarHBondContact O-N 2.88Å; S168-N172 WeakPolarHBondContact O-CB 3.39Å; S168-N172 PolarHBondContact O-N 2.97Å; S168-N172 PolarHBondContact O-ND2 3.4Å
169V97.8Very high94.7Very high0 Ų062.6 Ų62.60%035%0.349CS..Hα-helixtrans-62.5-50.6173.2169.60000111.5F126 I130 I147 Y148 I151 W165 N167 H171 N172 L173F126-V169 HydrophobicContact CD1-CG2 3.66Å; F126-V169 HydrophobicContact CE1-CG2 4.1Å; I130-V169 HydrophobicContact CD1-CG1 4.24Å; I130-V169 HydrophobicContact CG1-CG1 4.18Å; I147-V169 HydrophobicContact CG2-CG1 3.96Å; Y148-V169 HydrophobicContact CD1-CG1 4.34Å; Y148-V169 HydrophobicContact CE1-CB 4.19Å; Y148-V169 HydrophobicContact CE1-CG1 4.05Å; I151-V169 HydrophobicContact CD1-CG2 3.96Å; W165-V169 HydrophobicContact CE3-CG2 4.01Å; W165-V169 HydrophobicContact CZ3-CG2 4.16Å; W165-V169 PolarHBondContact O-N 3.44Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-V169 PolarHBondContact O-N 3.21Å; V169-H171 PolarHBondContact O-N 3.38Å; V169-N172 PolarHBondContact O-N 3.17Å; V169-L173 HydrophobicContact CG1-CD1 4.37Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 3.22Å
170R97.5Very high94.9Very high81 Ų8164.5 Ų64.531%0.30635%0.346SS..Hα-helixtrans-57.4-47.3177-68.5-176.2-61.2-109.917.1112.1V144 Y148 K166 N167 N172 L173 S174V144-R170 HydrophobicContact CG1-CG 4.22Å; Y148-R170 WeakPolarHBondContact OH-CD 3.4Å; Y148-R170 VanDerWaalsContact OH-CG 3.31Å; Y148-R170 WeakPolarHBondContact OH-CG 3.43Å; Y148-R170 PolarHBondContact OH-NH1 3.32Å; Y148-R170 VanDerWaalsContact OH-NH1 3.07Å; K166-R170 WeakPolarHBondContact O-CG 3.17Å; K166-R170 PolarHBondContact O-N 3.49Å; N167-R170 PolarHBondContact O-N 3.01Å; N167-R170 PolarHBondContact OD1-NE 2.97Å; N167-R170 PolarHBondContact OD1-NH2 3.49Å; R170-N172 PolarHBondContact O-N 3.37Å; R170-L173 WeakPolarHBondContact O-CB 3.34Å; R170-L173 PolarHBondContact O-N 3.35Å; R170-S174 PolarHBondContact O-N 3.13Å; R170-S174 VanDerWaalsContact O-N 3.16Å; R170-S174 PolarHBondContact O-OG 3.29Å
171H97.8Very high95.2Very high102 Ų10262.4 Ų62.447%0.47233%0.329SS..Hα-helixtrans-59.5-44.617817572000111.8N167 V169 L173 S174 L175N167-H171 WeakPolarHBondContact O-CB 3.35Å; N167-H171 PolarHBondContact O-N 2.94Å; V169-H171 PolarHBondContact O-N 3.38Å; H171-L173 PolarHBondContact O-N 3.2Å; H171-S174 WeakPolarHBondContact CA-OG 3.37Å; H171-S174 PolarHBondContact O-N 3.49Å; H171-S174 PolarHBondContact O-OG 3.28Å; H171-L175 WeakPolarHBondContact NE2-CD1 3.31Å; H171-L175 VanDerWaalsContact O-CB 3.27Å; H171-L175 WeakPolarHBondContact O-CB 3.25Å; H171-L175 PolarHBondContact O-N 3.25Å
172N98.1Very high95.5Very high29 Ų2963.7 Ų63.716%0.15534%0.335CS..Hα-helixtrans-65.4-36.1178.3-86.7-91.4000112.9F126 S127 I130 S168 V169 R170 N176F126-N172 HydrophobicContact CB-CB 4.22Å; S127-N172 PolarHBondContact OG-OD1 3.26Å; I130-N172 HydrophobicContact CD1-CB 3.78Å; S168-N172 WeakPolarHBondContact O-CB 3.39Å; S168-N172 PolarHBondContact O-N 2.97Å; S168-N172 PolarHBondContact O-ND2 3.4Å; V169-N172 PolarHBondContact O-N 3.17Å; R170-N172 PolarHBondContact O-N 3.37Å; N172-N176 WeakPolarHBondContact CA-ND2 3.35Å; N172-N176 WeakPolarHBondContact O-CB 3.49Å; N172-N176 PolarHBondContact O-N 3.28Å; N172-N176 VanDerWaalsContact O-N 3.08Å; N172-N176 PolarHBondContact O-ND2 2.87Å; N172-N176 PolarHBondContact OD1-ND2 3.07Å
173L97.8Very high95.4Very high3 Ų365.3 Ų65.32%0.01634%0.338CS..Hα-helixtrans-61.4-41.7172.3-71.7168.5000111.9I130 V144 I147 V169 R170 H171 F179 W196I130-L173 HydrophobicContact CD1-CD2 4.22Å; I130-L173 HydrophobicContact CD1-CG 4.07Å; I130-L173 HydrophobicContact CG2-CD2 3.6Å; V144-L173 HydrophobicContact CG1-CD1 4.14Å; V144-L173 HydrophobicContact CG2-CD1 3.99Å; I147-L173 HydrophobicContact CD1-CD1 4.18Å; I147-L173 HydrophobicContact CD1-CD2 4.25Å; V169-L173 HydrophobicContact CG1-CD1 4.37Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 3.22Å; R170-L173 WeakPolarHBondContact O-CB 3.34Å; R170-L173 PolarHBondContact O-N 3.35Å; H171-L173 PolarHBondContact O-N 3.2Å; L173-F179 HydrophobicContact CD2-CB 4.08Å; L173-F179 HydrophobicContact CD2-CD2 4.31Å; L173-F179 HydrophobicContact CD2-CG 4.07Å; L173-W196 HydrophobicContact CB-CD2 4.07Å; L173-W196 HydrophobicContact CB-CE3 4.06Å; L173-W196 HydrophobicContact CB-CH2 4.07Å; L173-W196 HydrophobicContact CB-CZ2 4.08Å; L173-W196 HydrophobicContact CB-CZ3 4.07Å; L173-W196 HydrophobicContact CD1-CD2 4.32Å; L173-W196 HydrophobicContact CD1-CG 4.23Å; L173-W196 HydrophobicContact CD2-CB 4.03Å; L173-W196 HydrophobicContact CD2-CD2 3.94Å; L173-W196 HydrophobicContact CD2-CE3 4.09Å; L173-W196 HydrophobicContact CD2-CG 3.91Å; L173-W196 HydrophobicContact CG-CD2 4.34Å; L173-W196 WeakPolarHBondContact O-CZ3 3.31Å
174S96.9Very high95.1Very high86 Ų8665 Ų6560%0.60133%0.329SS*.Hα-helixtrans-79-27.2179.551.50000115.2R170 H171R170-S174 PolarHBondContact O-N 3.13Å; R170-S174 VanDerWaalsContact O-N 3.16Å; R170-S174 PolarHBondContact O-OG 3.29Å; H171-S174 WeakPolarHBondContact CA-OG 3.37Å; H171-S174 PolarHBondContact O-N 3.49Å; H171-S174 PolarHBondContact O-OG 3.28Å
175L96.4Very high93.8Very high109 Ų10967.6 Ų67.657%0.57134%0.341SS*.Hα-helixtrans-92.8-41.7-173.8-178.1150.1000113H171 K177H171-L175 WeakPolarHBondContact NE2-CD1 3.31Å; H171-L175 VanDerWaalsContact O-CB 3.27Å; H171-L175 WeakPolarHBondContact O-CB 3.25Å; H171-L175 PolarHBondContact O-N 3.25Å; L175-K177 PolarHBondContact O-N 2.97Å
176N96.2Very high92.1Very high37 Ų3775.6 Ų75.620%0.19838%0.384CS..  trans-83.1118.8-174.6-64.4-98.9000110S127 N172 C178 F179S127-N176 PolarHBondContact OG-ND2 2.62Å; S127-N176 PolarHBondContact OG-OD1 3.47Å; N172-N176 WeakPolarHBondContact CA-ND2 3.35Å; N172-N176 WeakPolarHBondContact O-CB 3.49Å; N172-N176 PolarHBondContact O-N 3.28Å; N172-N176 VanDerWaalsContact O-N 3.08Å; N172-N176 PolarHBondContact O-ND2 2.87Å; N172-N176 PolarHBondContact OD1-ND2 3.07Å; N176-C178 HydrophobicContact CB-CB 3.99Å; N176-C178 PolarHBondContact O-N 3.14Å; N176-F179 HydrophobicContact CB-CD2 4.02Å; N176-F179 HydrophobicContact CB-CE2 4.15Å; N176-F179 PolarHBondContact O-N 3.28Å
177K97.2Very high90.3Very high160 Ų16076.3 Ų76.370%0.69641%0.411SS*.THydrogen-bonded Turntrans-53.2-19.1168.9-60.6-174.5178.7-176.40113.8L175 F179 Y202L175-K177 PolarHBondContact O-N 2.97Å; K177-F179 PolarHBondContact O-N 3.3Å; K177-F179 VanDerWaalsContact O-N 3.13Å; K177-Y202 HydrophobicContact CB-CD2 3.99Å; K177-Y202 HydrophobicContact CB-CE2 3.53Å; K177-Y202 HydrophobicContact CD-CE2 4.42Å; K177-Y202 VanDerWaalsContact O-CD2 3.25Å; K177-Y202 WeakPolarHBondContact O-CD2 3.37Å
178C97.7Very high88.5Confident23 Ų2382 Ų8216%0.15543%0.432CS..THydrogen-bonded Turntrans-51.4-25.4169.1-640000115N176 D199 L206N176-C178 HydrophobicContact CB-CB 3.99Å; N176-C178 PolarHBondContact O-N 3.14Å; C178-D199 PolarHBondContact O-N 2.96Å; C178-L206 HydrophobicContact CB-CD1 4.11Å; C178-L206 HydrophobicContact CB-CD2 4.38Å
179F97.9Very high86.5Confident10 Ų1082 Ų824%0.04444%0.435CS..EExtended strand (participates in β ladder)trans-123139.8179.3-49.1-63.4000110.2S127 I130 I134 L173 N176 K177 W196 C197 V198 L206S127-F179 WeakPolarHBondContact O-CZ 3.32Å; I130-F179 HydrophobicContact CB-CE1 4.14Å; I130-F179 HydrophobicContact CB-CE2 4.21Å; I130-F179 HydrophobicContact CB-CZ 3.83Å; I130-F179 HydrophobicContact CD1-CE2 4.23Å; I130-F179 HydrophobicContact CG2-CD1 3.71Å; I130-F179 HydrophobicContact CG2-CD2 4.19Å; I130-F179 HydrophobicContact CG2-CE1 3.45Å; I130-F179 VanDerWaalsContact CG2-CE1 3.45Å; I130-F179 HydrophobicContact CG2-CE2 3.96Å; I130-F179 HydrophobicContact CG2-CG 4.09Å; I130-F179 HydrophobicContact CG2-CZ 3.6Å; I134-F179 HydrophobicContact CD1-CD1 4.17Å; L173-F179 HydrophobicContact CD2-CB 4.08Å; L173-F179 HydrophobicContact CD2-CD2 4.31Å; L173-F179 HydrophobicContact CD2-CG 4.07Å; N176-F179 HydrophobicContact CB-CD2 4.02Å; N176-F179 HydrophobicContact CB-CE2 4.15Å; N176-F179 PolarHBondContact O-N 3.28Å; K177-F179 PolarHBondContact O-N 3.3Å; K177-F179 VanDerWaalsContact O-N 3.13Å; F179-W196 HydrophobicContact CB-CE3 4.23Å; F179-C197 WeakPolarHBondContact CA-O 3.02Å; F179-V198 HydrophobicContact CD1-CG2 4.38Å; F179-V198 HydrophobicContact CE1-CG2 4.23Å; F179-L206 HydrophobicContact CE1-CD1 4.31Å
180R96.8Very high84.5Confident114 Ų11490.1 Ų90.143%0.4348%0.478SS..EExtended strand (participates in β ladder)trans-128.7143.6174.462.5-172.4174.4104.62.3110.3W196 C197 D199R180-W196 WeakPolarHBondContact O-CA 3.19Å; R180-C197 VanDerWaalsContact CG-SG 3.51Å; R180-C197 PolarHBondContact N-O 2.81Å; R180-C197 PolarHBondContact O-N 3.2Å; R180-D199 WeakPolarHBondContact CD-OD2 3.34Å; R180-D199 IonicContact NE-OD2 2.78Å
181K96.1Very high82.9Confident111 Ų11188.4 Ų88.448%0.48349%0.486SS..EExtended strand (participates in β ladder)trans-66.9133.8169174.2174.9167-176.60108.4S194 W196K181-S194 WeakPolarHBondContact CE-OG 3.43Å; K181-W196 HydrophobicContact CB-CE3 4.38Å; K181-W196 HydrophobicContact CB-CH2 4.38Å; K181-W196 HydrophobicContact CB-CZ3 4.25Å
182V92.5Very high81.7Confident43 Ų4392.4 Ų92.426%0.26150%0.502SS..EExtended strand (participates in β ladder)trans-86.5122173.1-176.60000108.4K184 L195 C197V182-K184 PolarHBondContact O-N 2.99Å; V182-L195 HydrophobicContact CB-CB 4.06Å; V182-L195 HydrophobicContact CG2-CB 4.32Å; V182-L195 PolarHBondContact N-O 3.03Å; V182-C197 HydrophobicContact CG2-CB 3.81Å
183D85.3Confident81Confident140 Ų14093.4 Ų93.475%0.74952%0.518SS*.PPolyproline II helixtrans-69.1118.2171.8-68.2-48.9000110.1S185D183-S185 PolarHBondContact O-N 3.32Å
184K75.6Confident80.7Confident81 Ų8195.2 Ų95.235%0.35253%0.532SS..PPolyproline II helixtrans-68125.3176.3-72.8174.8163.6-166.50109V182 L186 A189 G191 G193V182-K184 PolarHBondContact O-N 2.99Å; K184-L186 PolarHBondContact O-N 2.98Å; K184-A189 HydrophobicContact CB-CB 4Å; K184-A189 HydrophobicContact CD-CB 3.63Å; K184-A189 HydrophobicContact CG-CB 3.77Å; K184-A189 PolarHBondContact NZ-O 3.36Å; K184-G191 PolarHBondContact NZ-O 3.36Å; K184-G193 WeakPolarHBondContact CE-O 3.49Å; K184-G193 PolarHBondContact NZ-O 2.93Å
185S66.1Low80.6Confident91 Ų9193.8 Ų93.864%0.63652%0.517SS*.PPolyproline II helixtrans-60.1130.5166.454.90000109.6D183 G187 K188D183-S185 PolarHBondContact O-N 3.32Å; S185-G187 PolarHBondContact O-N 3.32Å; S185-K188 PolarHBondContact O-N 3.2Å
186L60.3Low80.6Confident188 Ų18890.7 Ų90.798%0.98450%0.498SS*.THydrogen-bonded Turntrans-60.8-18-158.1-149.578.6000115K184K184-L186 PolarHBondContact O-N 2.98Å
187G58.7Low80.7Confident81 Ų8189.4 Ų89.484%0.83549%0.492SS*.THydrogen-bonded Turntrans-107.44.6-172.100000117.6S185S185-G187 PolarHBondContact O-N 3.32Å
188K58.3Low80.8Confident190 Ų19082.4 Ų82.483%0.82646%0.462SS*.SBendtrans-138.710-170.9-145178.4179.3178.70118.1S185S185-K188 PolarHBondContact O-N 3.2Å
189A55.5Low80.7Confident44 Ų4483 Ų8336%0.36446%0.464SS..  trans-133.964.7-169.200000115.3K184 G191K184-A189 HydrophobicContact CB-CB 4Å; K184-A189 HydrophobicContact CD-CB 3.63Å; K184-A189 HydrophobicContact CG-CB 3.77Å; K184-A189 PolarHBondContact NZ-O 3.36Å; A189-G191 PolarHBondContact O-N 2.88Å
190N57.1Low80.7Confident170 Ų17086.5 Ų86.591%0.90949%0.488SS*.  trans-68.5-4174.256.9-1.9000115.3
191G63.8Low80.7Confident45 Ų4587.3 Ų87.346%0.46450%0.496SS..SBendtrans-68139.4176.100000114.6K184 A189 G193K184-G191 PolarHBondContact NZ-O 3.36Å; A189-G191 PolarHBondContact O-N 2.88Å; G191-G193 PolarHBondContact O-N 3.22Å
192K72.8Confident80.8Confident186 Ų18684.9 Ų84.981%0.80948%0.484SS*.SBendtrans-59.5129.1179.4-169.9179.7179.9-174.40111D56D56-K192 IonicContact OD2-NZ 2.64Å
193G83.1Confident81Confident49 Ų4986.6 Ų86.651%0.50549%0.486SS..SBendtrans95.7174.1174.400000116.2K184 G191K184-G193 WeakPolarHBondContact CE-O 3.49Å; K184-G193 PolarHBondContact NZ-O 2.93Å; G191-G193 PolarHBondContact O-N 3.22Å
194S91.2Very high81.6Confident42 Ų4283.5 Ų83.529%0.29447%0.474SS..  trans-96.8143.7174.3-620000110.7K181K181-S194 WeakPolarHBondContact CE-OG 3.43Å
195L94.6Very high82.6Confident56 Ų5684 Ų8429%0.29348%0.481SS..EExtended strand (participates in β ladder)trans-83.3146.3169.9-64.7178.5000110.1P143 V182P143-L195 HydrophobicContact CB-CD2 4.3Å; P143-L195 VanDerWaalsContact CD-CD2 3.49Å; P143-L195 HydrophobicContact CG-CD2 3.64Å; V182-L195 HydrophobicContact CB-CB 4.06Å; V182-L195 HydrophobicContact CG2-CB 4.32Å; V182-L195 PolarHBondContact N-O 3.03Å
196W97.1Very high84.1Confident43 Ų4380.2 Ų80.216%0.16345%0.453CS..EExtended strand (participates in β ladder)trans-122.8139.1175.5-68.188.7000109.8I134 S141 L142 L173 F179 R180 K181I134-W196 HydrophobicContact CD1-CB 4.39Å; S141-W196 CarbonylContact C-O 3.51Å; S141-W196 WeakPolarHBondContact CA-O 3.45Å; L142-W196 PolarHBondContact N-O 2.96Å; L142-W196 PolarHBondContact O-N 2.92Å; L173-W196 HydrophobicContact CB-CD2 4.07Å; L173-W196 HydrophobicContact CB-CE3 4.06Å; L173-W196 HydrophobicContact CB-CH2 4.07Å; L173-W196 HydrophobicContact CB-CZ2 4.08Å; L173-W196 HydrophobicContact CB-CZ3 4.07Å; L173-W196 HydrophobicContact CD1-CD2 4.32Å; L173-W196 HydrophobicContact CD1-CG 4.23Å; L173-W196 HydrophobicContact CD2-CB 4.03Å; L173-W196 HydrophobicContact CD2-CD2 3.94Å; L173-W196 HydrophobicContact CD2-CE3 4.09Å; L173-W196 HydrophobicContact CD2-CG 3.91Å; L173-W196 HydrophobicContact CG-CD2 4.34Å; L173-W196 WeakPolarHBondContact O-CZ3 3.31Å; F179-W196 HydrophobicContact CB-CE3 4.23Å; R180-W196 WeakPolarHBondContact O-CA 3.19Å; K181-W196 HydrophobicContact CB-CE3 4.38Å; K181-W196 HydrophobicContact CB-CH2 4.38Å; K181-W196 HydrophobicContact CB-CZ3 4.25Å
197C97.5Very high85.8Confident11 Ų1174.1 Ų74.17%0.07442%0.42CS..EExtended strand (participates in β ladder)trans-128.1163.3171.870.80000111.4K140 F179 R180 V182K140-C197 WeakPolarHBondContact O-CB 3.19Å; F179-C197 WeakPolarHBondContact CA-O 3.02Å; R180-C197 VanDerWaalsContact CG-SG 3.51Å; R180-C197 PolarHBondContact N-O 2.81Å; R180-C197 PolarHBondContact O-N 3.2Å; V182-C197 HydrophobicContact CG2-CB 3.81Å
198V98.1Very high87.5Confident12 Ų1275.2 Ų75.27%0.07340%0.404CS..EExtended strand (participates in β ladder)trans-73.3136.2170.5-179.60000108.7Y131 I134 F179 R203 L206Y131-V198 HydrophobicContact CD2-CG1 4.17Å; Y131-V198 HydrophobicContact CD2-CG2 3.74Å; Y131-V198 HydrophobicContact CE2-CG1 4.35Å; Y131-V198 HydrophobicContact CE2-CG2 4.25Å; I134-V198 HydrophobicContact CB-CG2 4.07Å; I134-V198 HydrophobicContact CD1-CG2 4.46Å; I134-V198 HydrophobicContact CG2-CG2 3.83Å; F179-V198 HydrophobicContact CD1-CG2 4.38Å; F179-V198 HydrophobicContact CE1-CG2 4.23Å; V198-R203 HydrophobicContact CG1-CB 3.93Å; V198-R203 HydrophobicContact CG1-CG 4.34Å; V198-L206 HydrophobicContact CG1-CD1 3.7Å
199D97.3Very high89.2Confident36 Ų3667.8 Ų67.819%0.19338%0.378CS..  trans-72.5128.4171.7-165.3-68000111C178 R180 E201 Y202 R203C178-D199 PolarHBondContact O-N 2.96Å; R180-D199 WeakPolarHBondContact CD-OD2 3.34Å; R180-D199 IonicContact NE-OD2 2.78Å; D199-E201 PolarHBondContact O-N 3.29Å; D199-E201 WeakPolarHBondContact OD1-CB 3.28Å; D199-E201 PolarHBondContact OD1-N 3.05Å; D199-Y202 HydrophobicContact CB-CD2 3.95Å; D199-Y202 PolarHBondContact O-N 3.46Å; D199-R203 WeakPolarHBondContact O-CB 3.4Å; D199-R203 PolarHBondContact O-N 3.48Å
200P97.1Very high91.1Very high84 Ų8467.4 Ų67.455%0.54537%0.37SS..THydrogen-bonded Turntrans-55-32.5178.2-26.735.8000115.3P204P200-P204 WeakPolarHBondContact O-CD 3.47Å
201E97.8Very high92.7Very high130 Ų13067.5 Ų67.561%0.60736%0.362SS*.THydrogen-bonded Turntrans-68-41.1179.8-170.9-172.3130.400111.2D199 P204D199-E201 PolarHBondContact O-N 3.29Å; D199-E201 WeakPolarHBondContact OD1-CB 3.28Å; D199-E201 PolarHBondContact OD1-N 3.05Å; E201-P204 WeakPolarHBondContact O-CD 3.45Å; E201-P204 WeakPolarHBondContact O-CG 3.34Å
202Y97.3Very high93.9Very high60 Ų6071.6 Ų71.624%0.23537%0.367CS..THydrogen-bonded Turntrans-92.2-17.4-176.6-60.2-62.4000113.8K177 D199 N205 L206K177-Y202 HydrophobicContact CB-CD2 3.99Å; K177-Y202 HydrophobicContact CB-CE2 3.53Å; K177-Y202 HydrophobicContact CD-CE2 4.42Å; K177-Y202 VanDerWaalsContact O-CD2 3.25Å; K177-Y202 WeakPolarHBondContact O-CD2 3.37Å; D199-Y202 HydrophobicContact CB-CD2 3.95Å; D199-Y202 PolarHBondContact O-N 3.46Å; Y202-N205 WeakPolarHBondContact O-CB 3.39Å; Y202-N205 PolarHBondContact O-N 3.2Å; Y202-L206 PolarHBondContact O-N 3.23Å
203R97.1Very high94.4Very high80 Ų8065.7 Ų65.730%0.30234%0.342SS..Hα-helixtrans-41.7-51.5172.1-176.5-175.3178.678.89.3114.9E135 V198 D199 N205 L206 I207E135-R203 IonicContact OE1-CZ 3.61Å; E135-R203 IonicContact OE1-NH1 2.67Å; E135-R203 IonicContact OE1-NH2 3.6Å; E135-R203 PolarHBondContact OE1-NH2 3.09Å; E135-R203 IonicContact OE2-CZ 3.74Å; E135-R203 IonicContact OE2-NH1 3.44Å; E135-R203 PolarHBondContact OE2-NH1 3.49Å; E135-R203 IonicContact OE2-NH2 3.11Å; E135-R203 PolarHBondContact OE2-NH2 3.44Å; V198-R203 HydrophobicContact CG1-CB 3.93Å; V198-R203 HydrophobicContact CG1-CG 4.34Å; D199-R203 WeakPolarHBondContact O-CB 3.4Å; D199-R203 PolarHBondContact O-N 3.48Å; R203-N205 VanDerWaalsContact C-N 3.29Å; R203-N205 PolarHBondContact O-N 3.25Å; R203-L206 PolarHBondContact O-N 2.88Å; R203-I207 HydrophobicContact CG-CD1 4.08Å; R203-I207 WeakPolarHBondContact O-CG1 3.27Å; R203-I207 PolarHBondContact O-N 3.18Å; R203-I207 VanDerWaalsContact O-N 3.08Å
204P97.5Very high93.3Very high75 Ų7572 Ų7249%0.48736%0.358SS..Hα-helixtrans-62.1-34179.323.6-35000113.3P200 E201 I207 Q208P200-P204 WeakPolarHBondContact O-CD 3.47Å; E201-P204 WeakPolarHBondContact O-CD 3.45Å; E201-P204 WeakPolarHBondContact O-CG 3.34Å; P204-I207 PolarHBondContact O-N 3.28Å; P204-Q208 PolarHBondContact O-N 2.86Å
205N96.9Very high91.6Very high92 Ų9275.7 Ų75.749%0.49237%0.369SS..Hα-helixtrans-67.6-39.2177.8-60.4-62000111.4Y202 R203 Q208 A209Y202-N205 WeakPolarHBondContact O-CB 3.39Å; Y202-N205 PolarHBondContact O-N 3.2Å; R203-N205 VanDerWaalsContact C-N 3.29Å; R203-N205 PolarHBondContact O-N 3.25Å; N205-Q208 PolarHBondContact O-N 3.43Å; N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.48Å; N205-A209 PolarHBondContact O-N 2.86Å
206L96.4Very high89.4Confident10 Ų1077.4 Ų77.45%0.05238%0.384CS..Hα-helixtrans-65-41.6173.8-63.4166.8000111.7Y131 C178 F179 V198 Y202 R203 Q208 A209 L210Y131-L206 HydrophobicContact CD1-CB 4.22Å; Y131-L206 HydrophobicContact CD2-CB 3.73Å; Y131-L206 HydrophobicContact CD2-CD1 3.53Å; Y131-L206 HydrophobicContact CD2-CG 4.24Å; Y131-L206 HydrophobicContact CE2-CB 4.13Å; Y131-L206 HydrophobicContact CE2-CD1 4.33Å; Y131-L206 HydrophobicContact CG-CB 3.81Å; Y131-L206 HydrophobicContact CG-CD1 4.03Å; Y131-L206 HydrophobicContact CG-CG 4.42Å; C178-L206 HydrophobicContact CB-CD1 4.11Å; C178-L206 HydrophobicContact CB-CD2 4.38Å; F179-L206 HydrophobicContact CE1-CD1 4.31Å; V198-L206 HydrophobicContact CG1-CD1 3.7Å; Y202-L206 PolarHBondContact O-N 3.23Å; R203-L206 PolarHBondContact O-N 2.88Å; L206-Q208 PolarHBondContact O-N 3.16Å; L206-A209 PolarHBondContact O-N 3.43Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 PolarHBondContact O-N 3.49Å
207I95.8Very high86.9Confident60 Ų6080.1 Ų80.131%0.30842%0.415SS..Hα-helixtrans-61-44174.4-67.1165.5000111Y131 R203 P204 L210 K211Y131-I207 HydrophobicContact CE1-CG1 4.38Å; Y131-I207 WeakPolarHBondContact OH-CG1 3.42Å; R203-I207 HydrophobicContact CG-CD1 4.08Å; R203-I207 WeakPolarHBondContact O-CG1 3.27Å; R203-I207 PolarHBondContact O-N 3.18Å; R203-I207 VanDerWaalsContact O-N 3.08Å; P204-I207 PolarHBondContact O-N 3.28Å; I207-L210 PolarHBondContact O-N 3.38Å; I207-K211 WeakPolarHBondContact O-CG 3.36Å; I207-K211 PolarHBondContact O-N 2.93Å
208Q95.8Very high84.4Confident105 Ų10582.3 Ų82.349%0.49143%0.434SS..Hα-helixtrans-67.7-41.4177.6-160.8-162.441.300111.7P204 N205 L206 L210 K211 K212P204-Q208 PolarHBondContact O-N 2.86Å; N205-Q208 PolarHBondContact O-N 3.43Å; L206-Q208 PolarHBondContact O-N 3.16Å; Q208-L210 VanDerWaalsContact C-N 3.33Å; Q208-L210 PolarHBondContact O-N 3.46Å; Q208-K211 PolarHBondContact O-N 3.4Å; Q208-K212 HydrophobicContact CG-CD 4.48Å; Q208-K212 WeakPolarHBondContact O-CB 3.41Å; Q208-K212 WeakPolarHBondContact O-CG 3.5Å; Q208-K212 PolarHBondContact O-N 3.28Å; Q208-K212 VanDerWaalsContact OE1-NZ 3.16Å
209A94.5Very high82.2Confident34 Ų3486.9 Ų86.928%0.28146%0.455SS..Hα-helixtrans-65-35.7177.100000112.3L128 N205 L206 K212 Q213L128-A209 HydrophobicContact CD2-CB 4.04Å; N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.48Å; N205-A209 PolarHBondContact O-N 2.86Å; L206-A209 PolarHBondContact O-N 3.43Å; A209-K212 PolarHBondContact O-N 3.33Å; A209-Q213 PolarHBondContact O-N 3.08Å; A209-Q213 PolarHBondContact O-NE2 3.44Å
210L93.6Very high79.5Confident35 Ų3589 Ų8918%0.18348%0.477CS..Hα-helixtrans-66.6-45.7172.7-172.564000111.4F124 L128 Y131 M132 L206 I207 Q208 K212 Q213F124-L210 HydrophobicContact CD1-CD1 4.14Å; F124-L210 HydrophobicContact CE1-CD1 3.75Å; L128-L210 HydrophobicContact CD2-CB 4.15Å; Y131-L210 HydrophobicContact CD1-CD2 4.36Å; Y131-L210 HydrophobicContact CE1-CD2 4.09Å; M132-L210 HydrophobicContact CE-CD1 4.45Å; M132-L210 HydrophobicContact CG-CD1 4.29Å; M132-L210 HydrophobicContact CG-CD2 4.15Å; M132-L210 HydrophobicContact SD-CD1 3.76Å; M132-L210 HydrophobicContact SD-CD2 4.37Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 PolarHBondContact O-N 3.49Å; I207-L210 PolarHBondContact O-N 3.38Å; Q208-L210 VanDerWaalsContact C-N 3.33Å; Q208-L210 PolarHBondContact O-N 3.46Å; L210-K212 PolarHBondContact O-N 3.11Å; L210-Q213 PolarHBondContact O-N 3.16Å; L210-Q213 VanDerWaalsContact O-N 3.13Å
211K91.4Very high76.9Confident173 Ų17394.5 Ų94.575%0.75249%0.493SS*.Hα-helixtrans-62.7-25174.4-76.2-175.6175.2-172.30113.9I207 Q208I207-K211 WeakPolarHBondContact O-CG 3.36Å; I207-K211 PolarHBondContact O-N 2.93Å; Q208-K211 PolarHBondContact O-N 3.4Å
212K89Confident74Confident131 Ų13194.3 Ų94.357%0.5750%0.504SS*.THydrogen-bonded Turntrans-80.7-12.4176.1-78172.6175.3172.30113.6Q208 A209 L210 H214Q208-K212 HydrophobicContact CG-CD 4.48Å; Q208-K212 WeakPolarHBondContact O-CB 3.41Å; Q208-K212 WeakPolarHBondContact O-CG 3.5Å; Q208-K212 PolarHBondContact O-N 3.28Å; Q208-K212 VanDerWaalsContact OE1-NZ 3.16Å; A209-K212 PolarHBondContact O-N 3.33Å; L210-K212 PolarHBondContact O-N 3.11Å; K212-H214 PolarHBondContact O-N 2.99Å
213Q83.1Confident71.6Confident62 Ų6297.1 Ų97.129%0.2953%0.528SS..SBendtrans-73123.9172.6-56.6-42.9-61.100109.3P123 F124 L128 A209 L210 F215P123-Q213 PolarHBondContact O-OE1 3.5Å; F124-Q213 HydrophobicContact CD1-CG 3.94Å; F124-Q213 HydrophobicContact CE1-CB 4.02Å; F124-Q213 HydrophobicContact CE1-CG 3.91Å; L128-Q213 HydrophobicContact CD1-CG 3.74Å; A209-Q213 PolarHBondContact O-N 3.08Å; A209-Q213 PolarHBondContact O-NE2 3.44Å; L210-Q213 PolarHBondContact O-N 3.16Å; L210-Q213 VanDerWaalsContact O-N 3.13Å; Q213-F215 WeakPolarHBondContact O-CD2 3.41Å; Q213-F215 PolarHBondContact O-N 3.2Å
214H60.2Low69Low181 Ų18198.1 Ų98.184%0.83855%0.545SS*.  trans-68.698171.1-87.8-125.7000109.1K212 P216K212-H214 PolarHBondContact O-N 2.99Å; H214-P216 WeakPolarHBondContact O-CD 3.48Å
215F55.4Low66.6Low119 Ų119100.6 Ų100.652%0.52256%0.561SS.*  trans-62.6123.6165.6-71.1-95.6000109.1F124 Q213 A217F124-F215 HydrophobicContact CE1-CZ 4.45Å; F124-F215 HydrophobicContact CZ-CE1 4.01Å; F124-F215 HydrophobicContact CZ-CZ 4.23Å; Q213-F215 WeakPolarHBondContact O-CD2 3.41Å; Q213-F215 PolarHBondContact O-N 3.2Å; F215-A217 PolarHBondContact O-N 3.48Å
216P48.9Very low63.9Low93 Ų93100.9 Ų100.960%0.60458%0.576SS**  trans-57.7124.9154.7-16.431.4000107H214 A218H214-P216 WeakPolarHBondContact O-CD 3.48Å; P216-A218 PolarHBondContact O-N 3.24Å
217A43.3Very low61.8Low100 Ų100105.8 Ų105.883%0.82661%0.611SS**THydrogen-bonded Turntrans-77.558-163.900000114.2F215F215-A217 PolarHBondContact O-N 3.48Å
218A46.8Very low59.8Low56 Ų56108.4 Ų108.446%0.46363%0.632SS.*THydrogen-bonded Turntrans-100.4-29.517400000113E114 P216E114-A218 HydrophobicContact CG-CB 4.22Å; P216-A218 PolarHBondContact O-N 3.24Å
219H51Low57.6Low109 Ų109109.5 Ų109.551%0.50565%0.648SS.*  trans-111.831.5-177-58.5-25.9000113.4E114 F221E114-H219 IonicContact OE1-CE1 3.19Å; E114-H219 PolarHBondContact OE1-CE1 3.08Å; E114-H219 IonicContact OE1-ND1 3.03Å; E114-H219 PolarHBondContact OE1-ND1 2.91Å; H219-F221 PolarHBondContact O-N 3.34Å
220A40.7Very low54.9Low81 Ų81114 Ų11467%0.66968%0.677SS**  trans-67.7114.1158.800000107.9C222A220-C222 PolarHBondContact O-N 3.46Å
221F41.7Very low52.7Low198 Ų198117.4 Ų117.487%0.86871%0.711SS**  trans-51.7132.8176.4-72.1-94.5000110H219 T223H219-F221 PolarHBondContact O-N 3.34Å; F221-T223 VanDerWaalsContact C-N 3.27Å; F221-T223 PolarHBondContact O-N 3.01Å
222C38.3Very low50.3Low126 Ų126114.3 Ų114.385%0.85171%0.711SS**  trans-75.777.5-171-166.30000111.7A220 P224A220-C222 PolarHBondContact O-N 3.46Å; C222-P224 WeakPolarHBondContact O-CD 3.44Å
223T45.8Very low47.6Very low120 Ų120113.1 Ų113.174%0.73672%0.719SS**  trans-74.5112.3158.8-510000107.2F221F221-T223 VanDerWaalsContact C-N 3.27Å; F221-T223 PolarHBondContact O-N 3.01Å
224P43.8Very low46Very low101 Ų101115.3 Ų115.366%0.65674%0.739SS**PPolyproline II helixtrans-65.5133.117926.9-33.6000109.8C222 A226C222-P224 WeakPolarHBondContact O-CD 3.44Å; P224-A226 PolarHBondContact O-N 2.9Å
225P47.3Very low45.5Very low126 Ų126112.8 Ų112.882%0.81874%0.738SS**PPolyproline II helixtrans-66.6126.117427.4-32.9000109.5
226A40.1Very low45.2Very low98 Ų98118.8 Ų118.881%0.8176%0.758SS**PPolyproline II helixtrans-64.3148.3170.600000110.7P224P224-A226 PolarHBondContact O-N 2.9Å
227S50.9Low45Very low114 Ų114121.1 Ų121.180%0.79776%0.76SS**PPolyproline II helixtrans-57.9152.1-166.3-53.40000115.4
228P55.2Low45.1Very low114 Ų114124.2 Ų124.274%0.7476%0.762SS**PPolyproline II helixtrans-81149.7-17633.3-36.4000113.6
229P49.4Very low44.8Very low129 Ų129128.9 Ų128.984%0.83877%0.772SS**PPolyproline II helixtrans-76.6151159.332.6-32.8000111.6
230S37.6Very low44.4Very low127 Ų127131.1 Ų131.189%0.88879%0.787SS**PPolyproline II helixtrans-80.8167.5-168-54.70000115.6
231A46.6Very low44.3Very low107 Ų107135.6 Ų135.688%0.88479%0.794SS**PPolyproline II helixtrans-85.5139-173.200000115.8
232S40.6Very low44.3Very low109 Ų109129.8 Ų129.876%0.76279%0.79SS**  trans179.9138.1155.8-169.60000105.2
233S33.7Very low44.2Very low105 Ų105130.2 Ų130.273%0.73479%0.792SS**  cis-157.8-175.135.2-125.20000111.5
234P49.4Very low43.8Very low109 Ų109129.4 Ų129.471%0.70879%0.792SS**  trans-82.7164.6-15632.8-37.8000117
235P48.8Very low43.4Very low127 Ų127133.9 Ų133.983%0.82580%0.802SS**  trans-79.1148.5-172.332-37000114.4
236R48.6Very low43.2Very low245 Ų245136.2 Ų136.293%0.92580%0.799SS**  trans-112.3106.3162.5-68.8-159.570.486.90.2111.2
237H45.6Very low43.9Very low142 Ų142140.2 Ų140.266%0.65780%0.801SS**  trans-66.3127.2169.6157.8-67.2000111.4F239H237-F239 AromaticContact CE1-CD2 3.82Å; H237-F239 AromaticContact NE2-CD2 3.41Å; H237-F239 WeakPolarHBondContact NE2-CD2 3.29Å; H237-F239 AromaticContact NE2-CE2 3.36Å; H237-F239 WeakPolarHBondContact NE2-CE2 3.2Å
238L44.9Very low44.2Very low166 Ų166139.5 Ų139.587%0.86980%0.795SS**  trans-143.4143.5144.9-83-172.5000110.4
239F41.3Very low44Very low154 Ų154140.8 Ų140.868%0.67580%0.796SS**  trans-83157.5174-91.6-123.5000111.6H237H237-F239 AromaticContact CE1-CD2 3.82Å; H237-F239 AromaticContact NE2-CD2 3.41Å; H237-F239 WeakPolarHBondContact NE2-CD2 3.29Å; H237-F239 AromaticContact NE2-CE2 3.36Å; H237-F239 WeakPolarHBondContact NE2-CE2 3.2Å
240L42.9Very low44.4Very low155 Ų155141.4 Ų141.481%0.81279%0.791SS**  trans154.5101.4133.8-81.5163.7000106.4
241Q38.9Very low45.4Very low176 Ų176141.8 Ų141.882%0.82278%0.783SS**  59.8105.876.4-167.1164.3-22.300111
242G40Very low45.9Very low75 Ų75139.7 Ų139.777%0.77377%0.766SS**  trans-87.9174.9-162.200000115.5
243C36.3Very low46.5Very low135 Ų135138.2 Ų138.291%0.91276%0.76SS**  trans-140.6161166.4-113.90000110.2
244S38.2Very low47.6Very low104 Ų104137.9 Ų137.973%0.72775%0.754SS**  trans-50.6135.7-175.6-167.60000113.9
245F34.8Very low47.9Very low195 Ų195136 Ų13686%0.85575%0.748SS**  trans-59.1144.5153.7-107.1-101.7000109.6
246K43.5Very low48.3Very low174 Ų174137.9 Ų137.976%0.75775%0.747SS**  trans-138.1148.6162.5-81.1-167.6173.3-174.80109S248K246-S248 PolarHBondContact O-N 3.08Å; K246-S248 VanDerWaalsContact O-N 3.08Å
247E54.9Low48.7Very low183 Ų183134.1 Ų134.186%0.85574%0.742SS**SBendtrans-83.574.9-165.7-158.377.2-173.500112.4
248S57.1Low49.2Very low98 Ų98134.4 Ų134.469%0.68575%0.748SS**  trans-161.842.7-179.766.80000117.6K246K246-S248 PolarHBondContact O-N 3.08Å; K246-S248 VanDerWaalsContact O-N 3.08Å
249D51.4Low49.3Very low141 Ų141134.3 Ų134.375%0.75475%0.747SS**  trans-138.344.9-177.6-88.6-55.9000114.6
250I57.5Low49.2Very low142 Ų142134.7 Ų134.773%0.72876%0.756SS**SBendtrans-89.2-31.2179.8-70.2176.7000113.2
251D58.7Low49.1Very low135 Ų135132.7 Ų132.772%0.72276%0.755SS**THydrogen-bonded Turntrans-83.1-15.9-171.2-70.3-57.8000115.5A253 T254D251-A253 VanDerWaalsContact C-N 3.34Å; D251-A253 PolarHBondContact O-N 3.13Å; D251-T254 PolarHBondContact O-N 3.09Å
252A57.9Low49.1Very low64 Ų64128.8 Ų128.853%0.52975%0.753SS.*Hα-helixtrans-66.3-32.3-176.100000113.7
253A52.8Low49.6Very low77 Ų77131.4 Ų131.464%0.63676%0.757SS**Hα-helixtrans-71.8-38-178.400000112.6D251 A255 M256D251-A253 VanDerWaalsContact C-N 3.34Å; D251-A253 PolarHBondContact O-N 3.13Å; A253-A255 PolarHBondContact O-N 3.46Å; A253-M256 PolarHBondContact O-N 3.21Å
254T57.1Low49.7Very low99 Ų99127.9 Ų127.961%0.60774%0.744SS**Hα-helixtrans-67.1-36.4-178.1-52.50000112D251 M256 M257D251-T254 PolarHBondContact O-N 3.09Å; T254-M256 PolarHBondContact O-N 3.15Å; T254-M257 PolarHBondContact O-N 3.39Å
255A55.2Low49.7Very low70 Ų70131.9 Ų131.958%0.57975%0.75SS**Hα-helixtrans-63.1-27.6179.400000113.6A253 M257A253-A255 PolarHBondContact O-N 3.46Å; A255-M257 VanDerWaalsContact C-N 3.25Å; A255-M257 PolarHBondContact O-N 2.75Å
256M56.4Low49.9Very low165 Ų165130.4 Ų130.481%0.81375%0.746SS**THydrogen-bonded Turntrans-77.4-1-174.5-67.9-68.5-72.500114.7A253 T254A253-M256 PolarHBondContact O-N 3.21Å; T254-M256 PolarHBondContact O-N 3.15Å
257M58Low49.6Very low167 Ų167128.4 Ų128.482%0.82375%0.748SS**THydrogen-bonded Turntrans-101.7-6180-78.7-16665.700115.6T254 A255T254-M257 PolarHBondContact O-N 3.39Å; A255-M257 VanDerWaalsContact C-N 3.25Å; A255-M257 PolarHBondContact O-N 2.75Å
258L56.5Low48.8Very low148 Ų148127.1 Ų127.178%0.77575%0.747SS**  trans-106.937.1-168.9-69.8178.4000115.5
259L46.9Very low48.7Very low163 Ų163127.2 Ų127.285%0.85375%0.745SS**  trans-138.692.9172.4-72.3176.6000113
260N37.5Very low47.8Very low162 Ų162125.7 Ų125.787%0.86674%0.744SS**  trans-164.7120.3143.4-109.8-19.1000114.2
261S42Very low46.6Very low113 Ų113126 Ų12679%0.7975%0.748SS**  trans59.6104.6148.3-56.90000122.8
262A37.5Very low45.6Very low94 Ų94123.9 Ų123.978%0.77774%0.743SS**  trans-81.1-168134.300000109.2
263P51.9Low44.5Very low130 Ų130128.4 Ų128.484%0.84476%0.758SS**  cis-123-172.94.142.8-26.6000113.4
264G36.9Very low43.6Very low62 Ų62128.1 Ų128.164%0.63976%0.762SS**  cis146.3135.6-9.900000113.6
265H39.6Very low43.8Very low188 Ų188129 Ų12987%0.8777%0.77SS**  trans-174.8108.6165.7-104.1-79.5000106.6
266H38Very low43Very low164 Ų164133.9 Ų133.976%0.75979%0.785SS**  71.292.372.8-173.3-69.8000115.5
267V37.3Very low41.9Very low132 Ų132132.7 Ų132.780%0.878%0.782SS**  -160.2151.4120.5-93.10000110
268D37.7Very low40.9Very low155 Ų155131.3 Ų131.383%0.82978%0.778SS**  trans-137.9176-175.4-112-51.6000107.4
269P54.9Low39.9Very low100 Ų100129 Ų12965%0.64977%0.774SS**  cis-136.4-162.1-6.131.1-7000113.8
270C33.3Very low39.2Very low109 Ų109132.7 Ų132.774%0.73678%0.777SS**  trans82.2140159.8-61.80000117.6
271N32.2Very low40.1Very low150 Ų150129.4 Ų129.480%0.80276%0.764SS**  cis-148.3176.5-2.1-138.9-17.2000113
272S38.3Very low39.7Very low89 Ų89130.9 Ų130.962%0.62276%0.763SS**  trans-79.6176.7-161.9-53.30000118.4
273D33.6Very low39.6Very low160 Ų160131 Ų13186%0.85676%0.758SS**  trans88126.8150-54.2-42.2000120.7
274G35.6Very low38.9Very low70 Ų70130.3 Ų130.372%0.72275%0.751SS**  trans-118.3-146.9149.500000108
275P60.8Low38.9Very low119 Ų119134.9 Ų134.977%0.77376%0.761SS**  cis-117.2-158.5-13.840.1-24.7000110.5
276L38.4Very low38.9Very low171 Ų171132 Ų13290%0.89576%0.755SS**  trans142.2166.8143.3-74.4176.6000114.5
277D33.8Very low38.8Very low140 Ų140128.9 Ų128.975%0.74975%0.753SS**  trans-106.3-179.2-170.1178.332.4000111.9
278L36.9Very low38.8Very low138 Ų138127.7 Ų127.772%0.72375%0.75SS**  trans107105.5160-55.4176.1000118.8
279S33.8Very low39Very low100 Ų100127.2 Ų127.270%0.69975%0.748SS**  70.1105.4123.5-58.50000122.7
280R32.8Very low38.9Very low240 Ų240127.1 Ų127.191%0.90675%0.747SS**  57.9166.5120.5-108.5-159.3158.9167.9-6.1121
281P56.7Low39.1Very low94 Ų94129.8 Ų129.861%0.6175%0.746SS**  -123.8166.2-51.232.8-16.6000113.5
282D33.3Very low39.5Very low143 Ų143129.2 Ų129.277%0.76574%0.739SS**  173.9125.1127.1-100.9-46.3000108.7
283S36.2Very low39.5Very low96 Ų96130.3 Ų130.367%0.67174%0.738SS**  63136.185.587.50000113.2
284V37.6Very low40.2Very low116 Ų116132.1 Ų132.170%0.70374%0.74SS**  cis-157.4132.736.2173.30000112.4
285L37Very low40.6Very low159 Ų159135.3 Ų135.383%0.83274%0.741SS**  trans56166.2161.4-58.4167.2000118.2
286V38.7Very low39.3Very low126 Ų126139.6 Ų139.676%0.76474%0.743SS**  cis-138.5116.86.9164.70000106
287S35.3Very low39.6Very low100 Ų100136.1 Ų136.170%0.69973%0.733SS**  56134.280-166.50000116.5
288S37.4Very low39.8Very low107 Ų107133.9 Ų133.975%0.74873%0.729SS**  cis-161.4157.9-23.1-72.60000108.9
289D41.5Very low39.7Very low145 Ų145132.2 Ų132.278%0.77574%0.735SS**  trans-64.9171.2155.1-151.839.3000108.8
290P53.8Low39.6Very low98 Ų98131.4 Ų131.464%0.63673%0.734SS**  cis-156.4178.926.947.9-25.8000120.6
291K38Very low39.5Very low164 Ų164127.8 Ų127.871%0.71373%0.732SS**  trans54.7141.9134-86.7-179.2162-1640125.7
292Q39.8Very low38.6Very low139 Ų139131.1 Ų131.165%0.6574%0.739SS**  trans95.8128132.6-83.6-177.5-98.700122.4
293D38.9Very low38.5Very low112 Ų112134.4 Ų134.460%0.59974%0.741SS**  trans40.2133.6134.2-45.8-20.6000121.5
294H47.5Very low38.4Very low198 Ų198135.4 Ų135.492%0.91775%0.747SS**  -170.7174.3107.8-94.6-50.5000113
295N44.4Very low38.2Very low136 Ų136135.3 Ų135.373%0.72775%0.751SS**  trans-124.3134.4-170.216716.2000110.4
296Y33.3Very low38Very low209 Ų209132.9 Ų132.982%0.8275%0.747SS**  trans-147.6148.4157.3-154.8-98.5000111.8
297S45.7Very low37.8Very low98 Ų98137.3 Ų137.369%0.68575%0.75SS**  trans-144.2133179.8-72.80000110.9
298S37.5Very low37.8Very low94 Ų94137.3 Ų137.366%0.65775%0.75SS**  trans-178.9130.8149.354.40000113.1
299A33.5Very low37.9Very low103 Ų103137.7 Ų137.785%0.85175%0.753SS**  trans52.1153.8145.700000120.1
300A32Very low37.5Very low82 Ų82135.5 Ų135.568%0.67875%0.749SS**  cis-159166.417.400000112.5
301L32.2Very low36.6Very low165 Ų165135.8 Ų135.886%0.86475%0.753SS**  trans40117144.4-66167.8000120.7
302Q36.7Very low36.6Very low163 Ų163132.8 Ų132.876%0.76275%0.753SS**  154.7152123.3-72.1-115.832.600109.5
303R31.4Very low36.3Very low212 Ų212134 Ų13480%0.876%0.763SS**  cis-168.7118.9-30.8-177.8-173.5-159.6101.40.5105.9
304C34.8Very low36.1Very low118 Ų118133.5 Ų133.580%0.79777%0.768SS**  trans-84.3143.4177.453.20000112
305S33.1Very low35.7Very low113 Ų113129 Ų12979%0.7976%0.759SS**  trans173.5117.5151.8-84.20000113.3
306S33.1Very low35.6Very low108 Ų108129.8 Ų129.876%0.75576%0.762SS**  trans152145.9142.7-76.40000112.1
307R34.8Very low36Very low219 Ų219127.4 Ų127.483%0.82676%0.764SS**  cis-172.9155.2-29.2-122.2168.976.2-170.66.1107.7
308S34.9Very low36.1Very low100 Ų100129.8 Ų129.870%0.69976%0.764SS**  trans71.1132.3173-55.40000114.5
309S38.6Very low35.8Very low116 Ų116128.8 Ų128.881%0.81177%0.769SS**  76.7135.954.8-58.90000112.6
310S33.4Very low35.6Very low99 Ų99126.9 Ų126.969%0.69276%0.759SS**  cis-169.3163.93.441.20000112.2
311S36.1Very low35.6Very low103 Ų103128.5 Ų128.572%0.7276%0.764SS**  trans61.1151.2150.853.60000119.9
312S36.9Very low35.6Very low101 Ų101126.9 Ų126.971%0.70675%0.752SS**  cis-173.4178.5-15.8-88.70000108
313L32.8Very low35.5Very low165 Ų165127.8 Ų127.886%0.86475%0.749SS**  trans75.6159.4161.1-49.5-177.4000117.6
314S36.5Very low35.7Very low102 Ų102122.4 Ų122.471%0.71374%0.744SS**  cis-175.9173.5-38.559.10000110.5
315S37.5Very low35.7Very low102 Ų102125.7 Ų125.771%0.71375%0.747SS**  trans76.9127.8171.6-134.90000115.2
316L43.4Very low35.8Very low153 Ų153124.9 Ų124.980%0.80174%0.742SS**  cis77.8117.730-57.8167.3000115.6
317D40.8Very low36Very low159 Ų159130 Ų13085%0.8575%0.745SS**  -147.7129.4125.4-166-120000104.7
318E47.4Very low36.1Very low148 Ų148130.6 Ų130.669%0.69275%0.747SS**  cis105.2159.631.2-97.5-67.2159.600114.3
319G31.4Very low36Very low73 Ų73130.4 Ų130.475%0.75375%0.751SS**  trans89.6105.3-178.500000115.5
320G29.8Very low35.8Very low64 Ų64128 Ų12866%0.6675%0.745SS**  cis174.6148.8-9.800000113.7
321C31.9Very low36Very low116 Ų116128.5 Ų128.578%0.78475%0.748SS**  31.2147.5122.3-67.30000121.2
322E32.8Very low36.2Very low131 Ų131132.8 Ų132.861%0.61276%0.757SS**  cis-175.8-168.2-14-134.7-158.4123.400108.3
323R35.1Very low36.3Very low182 Ų182131.1 Ų131.169%0.68776%0.756SS**  cis-157113.40.5171.6171.6-73.4172.45.2111.9
324S34.6Very low36.4Very low99 Ų99133 Ų13369%0.69276%0.757SS**  trans60.2174.2146-50.60000123.2
325Q34.6Very low36.7Very low186 Ų186135.8 Ų135.887%0.86976%0.759SS**  trans80.1156.4165.2-47.4-167.941.600117.5
326S34.6Very low36.7Very low97 Ų97134.7 Ų134.768%0.67875%0.751SS**  162.3128.7-50.6-178.30000109.7
327R37.3Very low36.3Very low216 Ų216135.1 Ų135.182%0.81575%0.754SS**  trans82.5145.5169.1-44.6-171175-145.9-1.5120
328R37Very low36.4Very low231 Ų231136.4 Ų136.487%0.87276%0.755SS**  trans71.6163162.7-56.2178.5-163.4-91.36.4116.6
329A33.7Very low35.8Very low96 Ų96137.1 Ų137.179%0.79376%0.764SS**  cis-176.6154.6-37.100000109
330G33.7Very low36.2Very low65 Ų65138.1 Ų138.167%0.6776%0.759SS**  trans94.4134.3-175.500000111.8
331S39Very low36.7Very low110 Ų110142.8 Ų142.877%0.76977%0.769SS**  75134.26280.10000110.7
332E38.6Very low36.6Very low192 Ų192143.7 Ų143.790%0.89777%0.766SS**  cis-139.317110.6-63.8160.7-162.100107
333G39.6Very low36.7Very low67 Ų67150.1 Ų150.169%0.69178%0.784SS**  cis139.685.79.700000110.8
334F35.9Very low36.6Very low203 Ų203148.3 Ų148.389%0.8979%0.788SS**  trans-164.1130164.5-123.5-116.8000105
335H41.4Very low36.5Very low161 Ų161151.4 Ų151.475%0.74579%0.792SS**  cis65.2118.847.4-74.6-65.6000113.3
336S38.2Very low36.3Very low80 Ų80154 Ų15456%0.55979%0.794SS**  cis-155168.6-4.3-52.20000113.2
337D35.5Very low36.2Very low161 Ų161153.3 Ų153.386%0.86179%0.794SS**  trans75157.3144.3-54.8-30.5000121.7
338E43.4Very low36.1Very low187 Ų187149.5 Ų149.587%0.87479%0.794SS**  trans-113.9154-166.8-49.7178.4117.500109.8
339D33.8Very low35.9Very low162 Ų162147.3 Ų147.387%0.86679%0.794SS**  trans-141.2105.7163.2-156.7-36.5000108.9
340S40.5Very low35.8Very low94 Ų94152.2 Ų152.266%0.65780%0.8SS**  trans-126.1125-179.8-76.30000110
341D39.4Very low35.7Very low162 Ų162155.6 Ų155.687%0.86681%0.808SS**  trans42.383.6153.5-63.6-40.3000117.7
342L29.6Very low35.6Very low136 Ų136155.9 Ų155.971%0.71281%0.81SS**  trans-128.488.5172.9-152154.7000112.5D344L342-D344 HydrophobicContact CD2-CB 3.66Å
343W36.1Very low35.4Very low265 Ų265158 Ų158100%1.00481%0.81SS**  trans-96.796.1159.6-81.991.3000108.7
344D32.4Very low35.5Very low145 Ų145166 Ų16678%0.77582%0.819SS**  trans-70.7141-168-151.7-9.9000113.6L342L342-D344 HydrophobicContact CD2-CB 3.66Å
345E31.7Very low35.7Very low164 Ų164161.9 Ų161.977%0.76681%0.813SS**  trans-98.2125.6179.9-152.5-149.1126.300111A347E345-A347 PolarHBondContact O-N 3.32Å
346R32Very low35.7Very low241 Ų241159.5 Ų159.591%0.90981%0.812SS**  trans-80.760.5-171.5-157.2-177.1-159.11639.5114V348R346-V348 PolarHBondContact O-N 3.4Å
347A31.7Very low35.9Very low82 Ų82160.5 Ų160.568%0.67883%0.825SS**  trans-81.3105.7177.400000112.3E345E345-A347 PolarHBondContact O-N 3.32Å
348V34.8Very low36Very low136 Ų136159.7 Ų159.782%0.82482%0.819SS**  trans-92136.5164.31780000109.6R346R346-V348 PolarHBondContact O-N 3.4Å
349Q33Very low36.1Very low185 Ų185160 Ų16086%0.86482%0.818SS**  trans-66.7137.6-164.8-60.7152.37.500113.9
350Q32.4Very low36.2Very low198 Ų198163.6 Ų163.693%0.92582%0.819SS**  trans-139.4154148.6-106.618033.100111.6
351T31.5Very low36Very low137 Ų137164.2 Ų164.284%0.8482%0.821SS**  trans-81.8147.2-152.349.30000115.4R353T351-R353 PolarHBondContact O-N 3.4Å
352S36.8Very low36.5Very low115 Ų115164.5 Ų164.580%0.80482%0.821SS**  trans-56.6121.6176.6177.20000113.9
353R34.7Very low36.7Very low236 Ų236163 Ų16389%0.89182%0.822SS**  trans-143.4133146.3-70.6-161.4174.6-146.9-3.7110.4T351T351-R353 PolarHBondContact O-N 3.4Å
354R41.8Very low37.2Very low235 Ų235160.2 Ų160.289%0.88782%0.817SS**PPolyproline II helixtrans-72.3136.1174.4-68.9178174.2173.3-3.1111
355P39.7Very low37.3Very low117 Ų117164.6 Ų164.676%0.7682%0.822SS**PPolyproline II helixtrans-74.4145.7160.531.9-32.8000110.6
356P40.2Very low37.7Very low111 Ų111162.7 Ų162.772%0.72182%0.824SS**PPolyproline II helixtrans-80.6152.6175.833.2-34.8000112.1I358P356-I358 PolarHBondContact O-N 3.2Å; P356-I358 VanDerWaalsContact O-N 3.17Å
357A42.4Very low37.7Very low102 Ų102162.5 Ų162.584%0.84382%0.823SS**  trans-69.8108.9173.800000111.2K359A357-K359 PolarHBondContact O-N 3.23Å
358I38.8Very low38.2Very low143 Ų143169.6 Ų169.673%0.73383%0.833SS**  trans-76.5115.8175.3-61.4178.2000109.1P356 W360P356-I358 PolarHBondContact O-N 3.2Å; P356-I358 VanDerWaalsContact O-N 3.17Å; I358-W360 PolarHBondContact O-N 3.4Å
359K45Very low38.6Very low194 Ų194172.1 Ų172.184%0.84384%0.836SS**PPolyproline II helixtrans-73.4120.6172.2-63.2177.3-178.6177.70109.1A357 P361A357-K359 PolarHBondContact O-N 3.23Å; K359-P361 WeakPolarHBondContact O-CD 3.27Å
360W35.4Very low39Very low238 Ų238169.9 Ų169.990%0.90283%0.834SS**PPolyproline II helixtrans-66.2122171.4-7198.4000110.3I358 I362I358-W360 PolarHBondContact O-N 3.4Å; W360-I362 PolarHBondContact O-N 3.32Å
361P35.8Very low39.6Very low107 Ų107167.3 Ų167.370%0.69582%0.82SS**PPolyproline II helixtrans-76125.218029.3-33000110.9K359 S363K359-P361 WeakPolarHBondContact O-CD 3.27Å; P361-S363 PolarHBondContact O-N 3.39Å; P361-S363 VanDerWaalsContact O-N 3.13Å
362I50.6Low40.7Very low168 Ų168166 Ų16686%0.86281%0.813SS**  trans-66.5110.2166.8-70.9172.4000108.2W360W360-I362 PolarHBondContact O-N 3.32Å
363S33Very low41.4Very low104 Ų104166.1 Ų166.173%0.72780%0.801SS**  trans-139.3118.4171.5-83.60000110.1P361 R365P361-S363 PolarHBondContact O-N 3.39Å; P361-S363 VanDerWaalsContact O-N 3.13Å; S363-R365 PolarHBondContact O-N 3.34Å
364K47.5Very low42.4Very low207 Ų207161.4 Ų161.490%0.979%0.793SS**PPolyproline II helixtrans-67.8123.1-177.7-59.9173.5-177.6176.50109.6
365R34.6Very low43.1Very low237 Ų237155.3 Ų155.389%0.89478%0.778SS**PPolyproline II helixtrans-98.6144.6164-74.4-173.1173.4-171.9-1.8109.6S363S363-R365 PolarHBondContact O-N 3.34Å
366P39Very low44.2Very low124 Ų124155.2 Ų155.281%0.80577%0.767SS**PPolyproline II helixtrans-67.8142-177.827.9-34.5000111.3R368P366-R368 PolarHBondContact O-N 3.06Å
367R33.4Very low45.3Very low237 Ų237156.5 Ų156.589%0.89476%0.764SS**PPolyproline II helixtrans-66.1119171.1-173-175.9-169.5-161.64.2108.1E369R367-E369 PolarHBondContact O-N 3.48Å
368R41.6Very low46.5Very low231 Ų231157.6 Ų157.687%0.87276%0.755SS**PPolyproline II helixtrans-64.6127.2164.2-88.7-178.3167.9162.9-5108.1P366P366-R368 PolarHBondContact O-N 3.06Å
369E42.3Very low47.8Very low189 Ų189156.7 Ų156.788%0.88375%0.746SS**PPolyproline II helixtrans-72.7135.2168.5-63.7-176.914300108.9R367R367-E369 PolarHBondContact O-N 3.48Å
370V43.2Very low49.1Very low138 Ų138154.8 Ų154.884%0.83674%0.74SS**  trans-104.9126.6168.1177.50000105.9
371K44.8Very low50.7Low144 Ų144145.9 Ų145.963%0.62672%0.717SS**  trans-76.9125-171-167-179.1171.8-152.70110E373K371-E373 WeakPolarHBondContact CD-OE2 3.35Å; K371-E373 WeakPolarHBondContact CE-OE1 3.09Å; K371-E373 VanDerWaalsContact CE-OE2 3.22Å; K371-E373 WeakPolarHBondContact CE-OE2 3.49Å; K371-E373 IonicContact NZ-OE1 2.63Å; K371-E373 PolarHBondContact NZ-OE1 3.05Å; K371-E373 IonicContact NZ-OE2 2.68Å; K371-E373 PolarHBondContact NZ-OE2 3.36Å; K371-E373 PolarHBondContact O-N 3.39Å
372P53.9Low52Low108 Ų108143.1 Ų143.170%0.70170%0.703SS**  trans-81.284.617932.6-33.3000109.8
373E52.3Low52.9Low119 Ų119137 Ų13756%0.55668%0.681SS**  trans-117.6-14.1-175.6-160.2154.2-13600113.2K371K371-E373 WeakPolarHBondContact CD-OE2 3.35Å; K371-E373 WeakPolarHBondContact CE-OE1 3.09Å; K371-E373 VanDerWaalsContact CE-OE2 3.22Å; K371-E373 WeakPolarHBondContact CE-OE2 3.49Å; K371-E373 IonicContact NZ-OE1 2.63Å; K371-E373 PolarHBondContact NZ-OE1 3.05Å; K371-E373 IonicContact NZ-OE2 2.68Å; K371-E373 PolarHBondContact NZ-OE2 3.36Å; K371-E373 PolarHBondContact O-N 3.39Å
374L55.1Low54.7Low136 Ų136135.7 Ų135.771%0.71267%0.672SS**Hα-helixtrans-84.2-20176.9-65.2172.1000113.8L378L374-L378 WeakPolarHBondContact O-CB 3.35Å; L374-L378 PolarHBondContact O-N 3.19Å
375D56.5Low55.7Low108 Ų108131.8 Ų131.858%0.57866%0.661SS**Hα-helixtrans-73.2-27.6-175.5-71.9-29000112.9K379D375-K379 WeakPolarHBondContact O-CB 3.43Å; D375-K379 PolarHBondContact O-N 3.32Å
376E63.7Low57.2Low114 Ų114124 Ų12453%0.53364%0.636SS.*Hα-helixtrans-81.2-39178.3-68.7-62.2143.600112.2L378 K379 E380E376-L378 PolarHBondContact O-N 3.17Å; E376-K379 PolarHBondContact O-N 3.22Å; E376-K379 IonicContact OE1-NZ 2.68Å; E376-K379 PolarHBondContact OE1-NZ 2.98Å; E376-K379 IonicContact OE2-NZ 2.66Å; E376-K379 PolarHBondContact OE2-NZ 3.4Å; E376-E380 WeakPolarHBondContact O-CB 3.49Å; E376-E380 PolarHBondContact O-N 3.5Å
377E62Low58.5Low138 Ų138125.5 Ų125.565%0.64563%0.632SS**Hα-helixtrans-63.3-43.3176-173.3176.5-16000111.5K379 E380 A381E377-K379 VanDerWaalsContact C-N 3.26Å; E377-K379 PolarHBondContact O-N 3.34Å; E377-E380 PolarHBondContact O-N 3.16Å; E377-A381 WeakPolarHBondContact O-CB 3.22Å; E377-A381 PolarHBondContact O-N 3.41Å
378L67.9Low60Low126 Ų126121.5 Ų121.566%0.6663%0.628SS**Hα-helixtrans-64.4-31176-174.161.2000112.6L374 E376 A382L374-L378 WeakPolarHBondContact O-CB 3.35Å; L374-L378 PolarHBondContact O-N 3.19Å; E376-L378 PolarHBondContact O-N 3.17Å; L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 2.66Å; L378-A382 VanDerWaalsContact O-N 3.16Å
379K66.9Low61Low124 Ų124113.6 Ų113.654%0.53961%0.612SS.*Hα-helixtrans-81.4-34.9179.7174.3179.3163-133.60112.3D375 E376 E377 G383D375-K379 WeakPolarHBondContact O-CB 3.43Å; D375-K379 PolarHBondContact O-N 3.32Å; E376-K379 PolarHBondContact O-N 3.22Å; E376-K379 IonicContact OE1-NZ 2.68Å; E376-K379 PolarHBondContact OE1-NZ 2.98Å; E376-K379 IonicContact OE2-NZ 2.66Å; E376-K379 PolarHBondContact OE2-NZ 3.4Å; E377-K379 VanDerWaalsContact C-N 3.26Å; E377-K379 PolarHBondContact O-N 3.34Å; K379-G383 PolarHBondContact O-N 3.27Å
380E72.4Confident61.9Low153 Ų153107.5 Ų107.572%0.71560%0.6SS**Hα-helixtrans-66.3-44.2169.7-175.6168.2-16700111E376 E377 A382 G383 S384E376-E380 WeakPolarHBondContact O-CB 3.49Å; E376-E380 PolarHBondContact O-N 3.5Å; E377-E380 PolarHBondContact O-N 3.16Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 2.68Å; E380-G383 PolarHBondContact O-N 3.2Å; E380-G383 VanDerWaalsContact O-N 3.14Å; E380-S384 PolarHBondContact O-N 2.68Å
381A68.1Low62.9Low52 Ų52105.9 Ų105.943%0.4359%0.586SS.*Hα-helixtrans-57.8-44.3173.800000112.4E377 S384 L385E377-A381 WeakPolarHBondContact O-CB 3.22Å; E377-A381 PolarHBondContact O-N 3.41Å; A381-S384 PolarHBondContact O-N 3.14Å; A381-L385 PolarHBondContact O-N 2.63Å
382A64Low63.6Low49 Ų49110 Ų11041%0.40560%0.597SS.*Hα-helixtrans-64.4-39.1174.700000112.8L378 E380 L386L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 2.66Å; L378-A382 VanDerWaalsContact O-N 3.16Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 2.68Å; A382-L386 PolarHBondContact O-N 3.22Å
383G67.8Low63.7Low38 Ų38108.4 Ų108.439%0.39259%0.588SS.*Hα-helixtrans-65-40.8175.800000113.2K379 E380 L386 H387K379-G383 PolarHBondContact O-N 3.27Å; E380-G383 PolarHBondContact O-N 3.2Å; E380-G383 VanDerWaalsContact O-N 3.14Å; G383-L386 PolarHBondContact O-N 2.82Å; G383-H387 PolarHBondContact O-N 2.87Å
384S71.3Confident63.7Low78 Ų78108.7 Ų108.755%0.54560%0.602SS.*Hα-helixtrans-62.2-44.8177.3-171.40000111.9E380 A381 L386 H387 L388E380-S384 PolarHBondContact O-N 2.68Å; A381-S384 PolarHBondContact O-N 3.14Å; S384-L386 PolarHBondContact O-N 2.96Å; S384-H387 PolarHBondContact O-N 3.45Å; S384-L388 PolarHBondContact O-N 3.44Å
385L67.9Low63.6Low124 Ų124108.6 Ų108.665%0.64961%0.608SS**Hα-helixtrans-62.8-40.7175.3-72.1169.7000112.8A381 H387 L388 A389A381-L385 PolarHBondContact O-N 2.63Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-L388 PolarHBondContact O-N 3.16Å; L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 3.09Å
386L67Low63Low73 Ų73112.7 Ų112.738%0.38262%0.623SS.*Hα-helixtrans-65-36.7174.8-84165.2000112.7A382 G383 S384 A389 G390 I391A382-L386 PolarHBondContact O-N 3.22Å; G383-L386 PolarHBondContact O-N 2.82Å; S384-L386 PolarHBondContact O-N 2.96Å; L386-A389 PolarHBondContact O-N 3.34Å; L386-G390 PolarHBondContact O-N 2.98Å; L386-G390 VanDerWaalsContact O-N 3.16Å; L386-I391 HydrophobicContact CD2-CB 4.05Å; L386-I391 HydrophobicContact CD2-CG2 4.23Å; L386-I391 PolarHBondContact O-N 3.24Å; L386-I391 VanDerWaalsContact O-N 3.09Å
387H65.5Low61.8Low156 Ų156111 Ų11172%0.72264%0.636SS**Hα-helixtrans-66.3-44.2174.9-164.695.1000111.5G383 S384 L385 A389 G390G383-H387 PolarHBondContact O-N 2.87Å; S384-H387 PolarHBondContact O-N 3.45Å; L385-H387 VanDerWaalsContact C-N 3.34Å; H387-A389 VanDerWaalsContact C-N 3.27Å; H387-A389 PolarHBondContact O-N 3.44Å; H387-G390 PolarHBondContact O-N 3.35Å
388L65.7Low60.7Low154 Ų154109.5 Ų109.581%0.80664%0.641SS**Hα-helixtrans-63.5-32.8177-14579.8000112.4S384 L385 G390S384-L388 PolarHBondContact O-N 3.44Å; L385-L388 PolarHBondContact O-N 3.16Å; L388-G390 VanDerWaalsContact C-N 3.31Å
389A62.2Low59.6Low65 Ų65113.1 Ų113.154%0.53765%0.651SS.*THydrogen-bonded Turntrans-79.4-6.5173.400000114.2L385 L386 H387 I391L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 3.09Å; L386-A389 PolarHBondContact O-N 3.34Å; H387-A389 VanDerWaalsContact C-N 3.27Å; H387-A389 PolarHBondContact O-N 3.44Å; A389-I391 VanDerWaalsContact C-N 3.28Å; A389-I391 HydrophobicContact CB-CD1 4.4Å; A389-I391 HydrophobicContact CB-CG1 4.35Å; A389-I391 PolarHBondContact O-N 2.96Å
390G61.2Low58.3Low61 Ų61118.6 Ų118.663%0.62967%0.669SS**THydrogen-bonded Turntrans73.67.9-179.600000115.8L386 H387 L388 R392L386-G390 PolarHBondContact O-N 2.98Å; L386-G390 VanDerWaalsContact O-N 3.16Å; H387-G390 PolarHBondContact O-N 3.35Å; L388-G390 VanDerWaalsContact C-N 3.31Å; G390-R392 PolarHBondContact O-N 3.48Å
391I64.3Low56.8Low104 Ų104117.7 Ų117.753%0.53367%0.674SS.*  trans-92.1102.9-172.7-57.9176.6000110.3L386 A389 S393L386-I391 HydrophobicContact CD2-CB 4.05Å; L386-I391 HydrophobicContact CD2-CG2 4.23Å; L386-I391 PolarHBondContact O-N 3.24Å; L386-I391 VanDerWaalsContact O-N 3.09Å; A389-I391 VanDerWaalsContact C-N 3.28Å; A389-I391 HydrophobicContact CB-CD1 4.4Å; A389-I391 HydrophobicContact CB-CG1 4.35Å; A389-I391 PolarHBondContact O-N 2.96Å; I391-S393 PolarHBondContact O-N 3.01Å
392R60.1Low55.5Low229 Ų229121.5 Ų121.586%0.86469%0.692SS**  trans-79.994.8174.1-69.3-176.5178.7-113.91111.5G390 C394G390-R392 PolarHBondContact O-N 3.48Å; R392-C394 PolarHBondContact O-N 3.38Å
393S56.6Low54.4Low75 Ų75128.4 Ų128.452%0.52471%0.712SS.*  trans-77.794.9174.2-65.50000112.3I391 T395I391-S393 PolarHBondContact O-N 3.01Å; S393-T395 PolarHBondContact O-N 3.39Å
394C51.3Low53.1Low126 Ų126132.7 Ų132.785%0.85174%0.737SS**  trans-76.5101.9171.6-62.90000111R392R392-C394 PolarHBondContact O-N 3.38Å
395T52.9Low51.8Low134 Ų134136 Ų13682%0.82275%0.753SS**  trans-130.975.9178.553.80000112.4S393S393-T395 PolarHBondContact O-N 3.39Å
396E43.1Very low50.6Low194 Ų194139.7 Ų139.791%0.90776%0.764SS**  trans-133.9135.1177-169.7162.6-155.600113
397G39.1Very low49.7Very low78 Ų78143.4 Ų143.480%0.80478%0.784SS**  trans73.162.1148.900000120.1
398S39Very low48.5Very low107 Ų107141.5 Ų141.575%0.74878%0.779SS**  trans-133.380.3158.7-163.50000113.4
399K44.3Very low47.6Very low201 Ų201144.7 Ų144.787%0.87478%0.78SS**  trans-130.581.2166.5-75-174.3177.9176.60109.9T401K399-T401 PolarHBondContact O-N 3.01Å
400R40.2Very low46.8Very low240 Ų240154.3 Ų154.391%0.90681%0.81SS**  trans-71.1118.4169.8-62.5179.1-173.9166.31.7108.8
401T41.3Very low46.1Very low134 Ų134159 Ų15982%0.82282%0.819SS**  trans-117.9158.6168.451.30000110.4K399K399-T401 PolarHBondContact O-N 3.01Å
402V40.7Very low45.1Very low132 Ų132161.9 Ų161.980%0.883%0.834SS**  trans-99.1134.9-158.1174.30000112.4
403K41.3Very low44.3Very low193 Ų193158.2 Ų158.284%0.83983%0.833SS**  trans13.4122.1156.4-58.5174.8-179.7177.90117.6
404S39.8Very low43.6Very low129 Ų129163.1 Ų163.190%0.90285%0.851SS**  trans-137.5109.9142.1-83.60000109.8
405T44.3Very low43.1Very low146 Ų146165.4 Ų165.490%0.89685%0.851SS**  trans-76.9130.1173.722.90000110.3
406K43.6Very low42.4Very low202 Ų202167.5 Ų167.588%0.87885%0.852SS**  trans-145.5138.5160.6-148.9169.1-174.41750111.1
407L47Very low42.4Very low151 Ų151165.6 Ų165.679%0.79185%0.849SS**  trans-68.7169.2168.7-5392000108.6
408N39.8Very low42.7Very low117 Ų117172.3 Ų172.363%0.62685%0.852SS**  cis-170149.929.5-164.33000111.4
409R48.3Very low43Very low220 Ų220177.8 Ų177.883%0.8386%0.861SS**  trans60.2158.5160-84.6163.4175168.8-2.2116.7
410K44.8Very low42.8Very low268 Ų268175.6 Ų175.6100%1.16586%0.86SS**  cis-137.9019.5-165.9179.5-179.4-175.20112.2

Retrieved 410 of 410 residues in 50.9 ms (Link to these results)