X5D9A5_HUMAN Loading...

Pituitary homeobox 1

AlphaFold DB (P78337), UniProt , Accession X5D9A5, Species HUMAN (Homo sapiens, Human), Gene PITX1, Length 314 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
1M49.8Very low54.5Low236 Ų236154.8 Ų154.8100%1.16387%0.872SS**  068.20-69.8168.716900108.5
2D46.9Very low55Low163 Ų163159.3 Ų159.387%0.87286%0.864SS**  trans27.4137.3137.2-56.9-87.9000122.2
3A57.9Low55.1Low96 Ų96158.8 Ų158.879%0.79386%0.859SS**  trans-64151.7-170.700000116.7
4F55.4Low55.3Low209 Ų209155 Ų15592%0.91785%0.847SS**  trans-32.8129.5154.3-91.1-105.8000114.4
5K64.1Low55.9Low210 Ų210157.5 Ų157.591%0.91385%0.851SS**  trans-113.997.3154.5-165.9166.5-179.9175.40108.1
6G51.1Low56.7Low75 Ų75152 Ų15277%0.77384%0.842SS**  trans-68.8130.117200000111.2
7G52.2Low56.9Low70 Ų70153 Ų15372%0.72285%0.845SS**  trans-135.6126.5159.900000108.1
8M61.4Low57.5Low176 Ų176157.2 Ų157.287%0.86785%0.846SS**  trans-168.2103.4152.351.2171.182.400105.6
9S52.9Low58.4Low124 Ų124154.5 Ų154.587%0.86784%0.837SS**  42.197.291.9-73.90000112.2
10L53Low59.4Low165 Ų165152.7 Ų152.786%0.86483%0.834SS**  trans-120.758.3165.3-143.9152.2000108.5
11E55.1Low60.4Low179 Ų179150.9 Ų150.984%0.83683%0.83SS**  trans-8687.9149.6-90.2-92.7101.100105.8
12R59.7Low61.8Low208 Ų208145.2 Ų145.279%0.78581%0.81SS**  trans-173.3123.9154.7-119.7171.4-173.190.41.8113.7
13L56.5Low63.1Low153 Ų153141.9 Ų141.980%0.80180%0.798SS**  trans86.8145153.9-50.9176.5000117.7
14P58.6Low63.4Low106 Ų106143.2 Ų143.269%0.68880%0.798SS**  cis-128151.3-30.131-13.5000113.2G16P14-G16 PolarHBondContact O-N 3.11Å
15E64.4Low63.8Low193 Ų193141.8 Ų141.890%0.90279%0.794SS**THydrogen-bonded Turntrans-46.93.8-175.7-100.871.2-171.600120.5
16G67.8Low63.3Low69 Ų69138.9 Ų138.971%0.71179%0.789SS**THydrogen-bonded Turntrans-94.1-4.4-16600000118.4P14P14-G16 PolarHBondContact O-N 3.11Å
17L59.8Low63.4Low169 Ų169144 Ų14489%0.88579%0.794SS**  trans-131.619.7-170-69.7174.5000115
18R68.3Low63.3Low228 Ų228144 Ų14486%0.8680%0.795SS**PPolyproline II helixtrans-81.3124.9177.3-164.6175.2179.1169.1-0.5110.3
19P75.1Confident62.7Low106 Ų106140.5 Ų140.569%0.68879%0.785SS**PPolyproline II helixtrans-62.7143.2173.225.3-32.5000110.5
20P78.9Confident62.4Low118 Ų118138.4 Ų138.477%0.76678%0.776SS**PPolyproline II helixtrans-66.3142.7-177.527.3-34000111
21P79.5Confident62.4Low115 Ų115140 Ų14075%0.74778%0.776SS**PPolyproline II helixtrans-66.3147.6172.228.4-33.3000110.7
22P78.7Confident62.2Low117 Ų117139.3 Ų139.376%0.7677%0.772SS**PPolyproline II helixtrans-62.1146.2174.326.7-33.6000111
23P75.3Confident61.8Low93 Ų93137 Ų13760%0.60478%0.775SS**PPolyproline II helixtrans-64.9145.1-176.826.6-34000111.7H25P23-H25 PolarHBondContact O-N 3.43Å
24P64.6Low61.3Low125 Ų125134.1 Ų134.181%0.81277%0.773SS**  trans-74.4109.7175.630.4-30.4000108.6D26P24-D26 PolarHBondContact O-N 3.48Å
25H63.3Low60.7Low179 Ų179140.3 Ų140.383%0.82978%0.782SS**  trans-82.5101.4163.7-78.6-78.7000108.9P23P23-H25 PolarHBondContact O-N 3.43Å
26D53.7Low60.1Low148 Ų148136.5 Ų136.579%0.79177%0.774SS**  trans-45152.9169.7-170.831.2000114.5P24P24-D26 PolarHBondContact O-N 3.48Å
27M53.7Low59.2Low182 Ų182137.4 Ų137.490%0.89778%0.775SS**  trans-65.9140-174-65.3-87.2176.200111.9
28G48.1Very low58.9Low71 Ų71136.7 Ų136.773%0.73277%0.772SS**  trans-148.713516600000111.1
29P50.2Low58.3Low103 Ų103130.7 Ų130.767%0.66976%0.763SS**  trans-104.5158.6-141.634.2-23.3000115F31P29-F31 VanDerWaalsContact O-CE2 3.27Å; P29-F31 WeakPolarHBondContact O-CE2 3.46Å
30A46.1Very low56.8Low80 Ų80136.3 Ų136.366%0.66177%0.771SS**  trans7.5122.4146.900000118.4
31F52.6Low55.5Low198 Ų198139 Ų13987%0.86877%0.773SS**  trans-130.3117.9148.1-53.1-72.6000109.9P29P29-F31 VanDerWaalsContact O-CE2 3.27Å; P29-F31 WeakPolarHBondContact O-CE2 3.46Å
32H52Low54.2Low165 Ų165137.7 Ų137.776%0.76476%0.764SS**  trans-63.6171.6179-94.7-110.7000114.1
33L50.3Low53.2Low159 Ų159138.9 Ų138.983%0.83276%0.763SS**  trans93.398.6153.4-62.9121.3000115.4
34A46.2Very low52.2Low92 Ų92141.7 Ų141.776%0.7677%0.768SS**  83.2107.775.800000111.9
35R47.1Very low51.4Low236 Ų236142.4 Ų142.489%0.89177%0.766SS**  trans-106.2122.5169.7176.7178.8179-175.1-0.7108.6
36P50.7Low51Low113 Ų113139.4 Ų139.473%0.73477%0.765SS**  trans-105.3173.115634.5-23.2000111
37A48.9Very low50.8Low89 Ų89136.4 Ų136.474%0.73676%0.761SS**  trans99.594.9164.200000118.4
38D54.5Low51Low153 Ų153132.5 Ų132.582%0.81875%0.751SS**  -41.1-176.7126.5-105.2-50.1000114.2
39P54.4Low51.4Low102 Ų102137.2 Ų137.266%0.66275%0.754SS**  cis-144.2-172.3-1.624.13.2000115.8
40R45Very low51.9Low225 Ų225137.5 Ų137.585%0.84976%0.759SS**  trans104.9110.5150-64.2-164.3158.3162.6-4117.1
41E51.3Low52.6Low174 Ų174138.7 Ų138.781%0.81376%0.762SS**  72.5156.167.3-75.3-6997.700113.2
42P52.1Low52.5Low88 Ų88135.8 Ų135.857%0.57176%0.755SS**  cis-145.8-160.5-17.829.7-4.5000114
43L56.2Low52.8Low141 Ų141133.8 Ų133.874%0.73876%0.755SS**  trans92.1133.1148.5-79.3165.4000116.1
44E54.6Low52.9Low152 Ų152135 Ų13571%0.7176%0.756SS**  cis-168.1169.617.9-45-170.9131.900111.7
45N48.3Very low53.1Low141 Ų141138.2 Ų138.275%0.75476%0.76SS**  trans99.2100.8159.6-64.1-0.6000117.3
46S54.5Low53.5Low116 Ų116131.7 Ų131.781%0.81175%0.748SS**  69.4130.769.6-65.70000112
47A50Low53.5Low85 Ų85134.7 Ų134.770%0.70275%0.752SS**  cis-168.31686.300000110.3
48S58.2Low53.8Low99 Ų99140.4 Ų140.469%0.69276%0.761SS**  trans73.7140.9148-61.70000119.6
49E56.2Low53.7Low171 Ų171141.6 Ų141.680%0.79976%0.761SS**  cis-171.9148.37.4-108.1167.698.100109.7
50S60.2Low53.4Low109 Ų109148.7 Ų148.776%0.76278%0.775SS**  trans61.1139.6139.4179.50000121
51S60.5Low53.3Low104 Ų104142 Ų14273%0.72778%0.776SS**  cis-162.31301.1-810000107
52D52.1Low53.1Low137 Ų137137.7 Ų137.773%0.73378%0.779SS**  49.9115.8105-145.2-84.1000118.6
53T57.6Low53Low124 Ų124142.9 Ų142.976%0.76180%0.795SS**  175.9120.3122.328.60000113.8
54E52Low52.6Low184 Ų184141.3 Ų141.386%0.8679%0.793SS**  trans79.6118.4135-51.7-98.589.600122.3
55L50.4Low52.3Low159 Ų159144 Ų14483%0.83280%0.802SS**  trans-73.1-167.2168-72.4166.9000111.9
56P55.6Low51.8Low100 Ų100140.5 Ų140.565%0.64980%0.8SS**  cis-140.1160.9-017.311.1000118.2
57E51.5Low51.8Low175 Ų175141 Ų14182%0.81880%0.801SS**  53.2119.2128.5-52.5167.9156.500122.1
58K55.6Low51.9Low210 Ų210146.6 Ų146.691%0.91381%0.813SS**  trans-152.3113.8136.3-163.7158.5179.8168.90113.7
59E51.6Low51.4Low177 Ų177149 Ų14983%0.82782%0.817SS**  trans-63.8144172.2-64.7-100.610200114.9
60R48.2Very low51.2Low251 Ų251146.1 Ų146.195%0.94782%0.816SS**  trans163.9118.9141.5-103.1178.7169.2-163.1-4.2107.7
61G42.2Very low50.5Low84 Ų84144.5 Ų144.587%0.86682%0.816SS**  cis104.5110.73000000109.2
62G47.6Very low49.9Very low85 Ų85144.9 Ų144.988%0.87683%0.826SS**  trans161.995.3170.800000116.1
63E49.3Very low49.5Very low197 Ų197142.6 Ų142.692%0.92184%0.835SS**  trans-79.4176.7179-112.2-161.883.400115.1
64P48Very low49Very low107 Ų107139.7 Ų139.770%0.69583%0.83SS**  trans-96.5168-159.139.7-38000116.2
65K48.5Very low49Very low208 Ų208138.3 Ų138.390%0.90483%0.834SS**  trans-162.2123.9162-114.6179.6178.4179.60111
66G38.8Very low48.8Very low69 Ų69134.4 Ų134.471%0.71183%0.832SS**  trans-95.1-153.1159.500000110.6
67P54.3Low48.1Very low127 Ų127136.2 Ų136.283%0.82585%0.846SS**  -121158.7-51.536.9-24.6000111.2
68E51.4Low47.8Very low202 Ų202131.7 Ų131.794%0.94485%0.846SS**  trans-156.4142.3165.948.8-165.29100114.8
69D47.3Very low47.2Very low149 Ų149125.2 Ų125.280%0.79784%0.838SS**  trans-80.3149.8-176.1165.775.2000112.2
70S53.5Low47.3Very low111 Ų111121.6 Ų121.678%0.77684%0.839SS**  trans145.5135.3143.7-730000115.8
71G45.2Very low48Very low74 Ų74116.7 Ų116.776%0.76383%0.831SS**  trans102.796.1146.400000116.5
72A47.9Very low49Very low113 Ų113118.8 Ų118.893%0.93482%0.823SS**  77.2123.872.200000115.6
73G43.9Very low49.8Very low88 Ų88119.8 Ų119.891%0.90781%0.814SS**  trans107.8132.1165.400000113.8
74G46.9Very low50.4Low64 Ų64114.4 Ų114.466%0.6680%0.803SS**  cis164.8137.45.600000107.9
75T51.9Low51.1Low155 Ų155118.7 Ų118.795%0.95181%0.811SS**  trans58.6123.1138.1-16.50000120.6
76G45.5Very low51.7Low77 Ų77117.5 Ų117.579%0.79481%0.806SS**  trans155.386.7152.600000116.4
77C41Very low53.2Low138 Ų138123.6 Ų123.693%0.93281%0.813SS**  trans-74.2151.2169.252.40000112.4
78G44.5Very low53.9Low80 Ų80127.6 Ų127.683%0.82582%0.817SS**  trans151.652.2165.300000117
79G44.6Very low55.3Low73 Ų73125.1 Ų125.175%0.75381%0.806SS**  trans-95.99617100000111.6D81G79-D81 PolarHBondContact O-N 3.44Å
80A53Low56.9Low101 Ų101127.6 Ų127.684%0.83580%0.804SS**  trans-88.386.9166.100000108.7
81D62.1Low58.4Low148 Ų148133.2 Ų133.279%0.79181%0.808SS**  trans-123.9111.4178-81.9-68.2000112.1G79G79-D81 PolarHBondContact O-N 3.44Å
82D64.5Low60.5Low128 Ų128136.5 Ų136.568%0.68480%0.803SS**  trans-40.6125.1175.7-154.3-74.9000114.3A84D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.89Å; D82-A84 WeakPolarHBondContact OD1-CB 3.37Å; D82-A84 PolarHBondContact OD1-N 2.78Å
83P64.4Low62.5Low106 Ų106140.2 Ų140.269%0.68879%0.793SS**G310 helixtrans-76.20.4-173.128.5-33.4000115.6K85P83-K85 PolarHBondContact O-N 3.13Å
84A62.1Low64.8Low84 Ų84138 Ų13869%0.69476%0.762SS**G310 helixtrans-84.91.3-16600000117.2D82D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.89Å; D82-A84 WeakPolarHBondContact OD1-CB 3.37Å; D82-A84 PolarHBondContact OD1-N 2.78Å
85K61.3Low67.1Low198 Ų198142.6 Ų142.686%0.86177%0.766SS**G310 helixtrans-112.18.6-175.2-65.9-179.5-175.5167.50116.2P83 K87P83-K85 PolarHBondContact O-N 3.13Å; K85-K87 VanDerWaalsContact C-N 3.26Å; K85-K87 PolarHBondContact O-N 3.34Å
86K62.5Low69.2Low182 Ų182138.3 Ų138.379%0.79173%0.734SS**  trans-82.656.5-174.9-61.4177.6-174.7169.60113.2K88K86-K88 PolarHBondContact O-N 2.79Å
87K68.4Low71.7Confident198 Ų198138.1 Ų138.186%0.86172%0.718SS**  trans-65.1113.4160.3-78.2179.1179.6173.20107.2K85 Q89K85-K87 VanDerWaalsContact C-N 3.26Å; K85-K87 PolarHBondContact O-N 3.34Å; K87-Q89 PolarHBondContact O-N 2.82Å
88K69.9Low74.4Confident210 Ų210135.6 Ų135.691%0.91370%0.702SS**  trans-49.998-174.5-150.4155-174.9167.90110.4K86 R90K86-K88 PolarHBondContact O-N 2.79Å; K88-R90 PolarHBondContact O-N 2.83Å
89Q80Confident77Confident151 Ų151138 Ų13871%0.70669%0.692SS**  trans-58.6112.9179.1-177.465.322.300108.1K87 R91K87-Q89 PolarHBondContact O-N 2.82Å; Q89-R91 PolarHBondContact O-N 2.81Å
90R82.5Confident79.5Confident201 Ų201136 Ų13676%0.75866%0.662SS**PPolyproline II helixtrans-58.1128.9175.2176.2177.1150.9-158-8.1108.1K88 Q92K88-R90 PolarHBondContact O-N 2.83Å; R90-Q92 PolarHBondContact O-N 3.21Å
91R83.8Confident81.7Confident229 Ų229134.5 Ų134.586%0.86464%0.64SS**PPolyproline II helixtrans-53.3133.7178.7-68.2-180-178.1-1132109.9Q89 R93Q89-R91 PolarHBondContact O-N 2.81Å; R91-R93 PolarHBondContact O-N 3.5Å
92Q89.3Confident83.4Confident142 Ų142133.3 Ų133.366%0.66463%0.63SS**PPolyproline II helixtrans-62.9130177.1-61.8-65.518.300110.8R90 R132R90-Q92 PolarHBondContact O-N 3.21Å; Q92-R132 PolarHBondContact O-NH1 2.84Å; Q92-R132 PolarHBondContact O-NH2 3.3Å
93R90.7Very high84.9Confident192 Ų192130.6 Ų130.673%0.72561%0.613SS**PPolyproline II helixtrans-79134177.8-176177.2-179.2175.2-0.7108.9R91R91-R93 PolarHBondContact O-N 3.5Å
94T91.8Very high86.6Confident40 Ų40125.5 Ų125.525%0.24558%0.58CS.*PPolyproline II helixtrans-81.7136.1173.3-62.80000109.8F96 L128 R132T94-F96 HydrophobicContact CG2-CD1 4.17Å; T94-F96 HydrophobicContact CG2-CE1 3.9Å; T94-F96 HydrophobicContact CG2-CZ 4.23Å; T94-L128 HydrophobicContact CG2-CD2 4.22Å; T94-R132 VanDerWaalsContact OG1-CD 3.23Å; T94-R132 WeakPolarHBondContact OG1-CD 3.39Å; T94-R132 PolarHBondContact OG1-NE 3.33Å; T94-R132 PolarHBondContact OG1-NH1 2.99Å; T94-R132 PolarHBondContact OG1-NH2 3.23Å
95H95.4Very high88.3Confident162 Ų162123.9 Ų123.975%0.7556%0.558SS**PPolyproline II helixtrans-100.6131.3165.3-74.2-103.4000108.1
96F96.3Very high90Very high65 Ų65116.5 Ų116.529%0.28553%0.534SS..PPolyproline II helixtrans-95.9139.3177-58.9-72.7000109.1T94 Q100 L101 L128 W136T94-F96 HydrophobicContact CG2-CD1 4.17Å; T94-F96 HydrophobicContact CG2-CE1 3.9Å; T94-F96 HydrophobicContact CG2-CZ 4.23Å; F96-Q100 VanDerWaalsContact CA-OE1 3.31Å; F96-L101 HydrophobicContact CB-CD1 4.39Å; F96-L101 HydrophobicContact CB-CD2 3.73Å; F96-L101 HydrophobicContact CB-CG 3.82Å; F96-L101 HydrophobicContact CD2-CD2 4.21Å; F96-L101 HydrophobicContact CG-CD2 4.11Å; F96-L128 HydrophobicContact CD1-CD1 3.65Å; F96-L128 HydrophobicContact CD1-CD2 3.79Å; F96-L128 HydrophobicContact CD1-CG 4.38Å; F96-L128 HydrophobicContact CE1-CD1 3.52Å; F96-L128 HydrophobicContact CE1-CD2 3.75Å; F96-L128 HydrophobicContact CE1-CG 4.28Å; F96-W136 AromaticContact CE2-CD1 3.78Å; F96-W136 HydrophobicContact CZ-CB 4.34Å; F96-W136 AromaticContact CZ-CD1 3.99Å
97T98.1Very high91.7Very high72 Ų72108.8 Ų108.844%0.44250%0.502SS..PPolyproline II helixtrans-72.9163.6170.371.90000110.3Q99 Q100 L101T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.95Å; T97-Q100 PolarHBondContact O-N 3Å; T97-Q100 VanDerWaalsContact OG1-CG 3.25Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.27Å; T97-Q100 PolarHBondContact OG1-N 2.91Å; T97-L101 WeakPolarHBondContact O-CG 3.04Å; T97-L101 PolarHBondContact O-N 3.27Å; T97-L101 VanDerWaalsContact O-N 3.13Å
98S97.8Very high93.1Very high86 Ų8699.4 Ų99.460%0.60146%0.461SS*.Hα-helixtrans-59.7-45.2176.4-169.10000111.6Q100 L101 Q102S98-Q100 PolarHBondContact O-N 2.92Å; S98-L101 WeakPolarHBondContact O-CB 2.97Å; S98-L101 PolarHBondContact O-N 3.26Å; S98-L101 VanDerWaalsContact O-N 3.13Å; S98-Q102 WeakPolarHBondContact O-CG 3.44Å; S98-Q102 PolarHBondContact O-N 3.33Å
99Q97.6Very high94.4Very high131 Ų13194.3 Ų94.361%0.61244%0.441SS*.Hα-helixtrans-57.1-47.6176.9-175.9-169.5-1.200111.8T97 L101 Q102 E103T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.95Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.28Å; Q99-Q102 WeakPolarHBondContact O-CB 3.27Å; Q99-Q102 PolarHBondContact O-N 2.94Å; Q99-Q102 VanDerWaalsContact O-N 3.14Å; Q99-E103 PolarHBondContact O-N 3.31Å; Q99-E103 VanDerWaalsContact O-N 3.08Å
100Q98.1Very high95.2Very high29 Ų2997.5 Ų97.514%0.13645%0.446CS..Hα-helixtrans-58.7-41177.1-73.2170.9-2000111.9F96 T97 S98 L104 T126F96-Q100 VanDerWaalsContact CA-OE1 3.31Å; T97-Q100 PolarHBondContact O-N 3Å; T97-Q100 VanDerWaalsContact OG1-CG 3.25Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.27Å; T97-Q100 PolarHBondContact OG1-N 2.91Å; S98-Q100 PolarHBondContact O-N 2.92Å; Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 WeakPolarHBondContact O-CD1 3.07Å; Q100-L104 WeakPolarHBondContact O-CG 3.05Å; Q100-L104 PolarHBondContact O-N 3.14Å; Q100-T126 WeakPolarHBondContact CG-O 3.31Å; Q100-T126 PolarHBondContact NE2-O 2.96Å
101L98.1Very high95.9Very high71 Ų7190.7 Ų90.737%0.37243%0.425SS..Hα-helixtrans-67.1-37177.9-67.9174.3000112.2F96 T97 S98 Q99 E105F96-L101 HydrophobicContact CB-CD1 4.39Å; F96-L101 HydrophobicContact CB-CD2 3.73Å; F96-L101 HydrophobicContact CB-CG 3.82Å; F96-L101 HydrophobicContact CD2-CD2 4.21Å; F96-L101 HydrophobicContact CG-CD2 4.11Å; T97-L101 WeakPolarHBondContact O-CG 3.04Å; T97-L101 PolarHBondContact O-N 3.27Å; T97-L101 VanDerWaalsContact O-N 3.13Å; S98-L101 WeakPolarHBondContact O-CB 2.97Å; S98-L101 PolarHBondContact O-N 3.26Å; S98-L101 VanDerWaalsContact O-N 3.13Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.28Å; L101-E105 WeakPolarHBondContact O-CB 3.47Å; L101-E105 PolarHBondContact O-N 3.47Å
102Q97.9Very high96.6Very high123 Ų12383.5 Ų83.558%0.57540%0.398SS*.Hα-helixtrans-62.2-48.5176.1-71.9171.5-17.200111.1S98 Q99 L104 E105 A106S98-Q102 WeakPolarHBondContact O-CG 3.44Å; S98-Q102 PolarHBondContact O-N 3.33Å; Q99-Q102 WeakPolarHBondContact O-CB 3.27Å; Q99-Q102 PolarHBondContact O-N 2.94Å; Q99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-L104 PolarHBondContact O-N 2.93Å; Q102-E105 PolarHBondContact O-N 3.29Å; Q102-A106 WeakPolarHBondContact O-CB 3.47Å; Q102-A106 PolarHBondContact O-N 3.28Å
103E97.6Very high97Very high70 Ų7083.8 Ų83.833%0.32739%0.394SS..Hα-helixtrans-63.4-43.2178.3-65.7-57.4158.900112.7Q99 E105 A106 T107 T126Q99-E103 PolarHBondContact O-N 3.31Å; Q99-E103 VanDerWaalsContact O-N 3.08Å; E103-E105 VanDerWaalsContact C-N 3.32Å; E103-E105 PolarHBondContact O-N 3.38Å; E103-A106 PolarHBondContact O-N 3.44Å; E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.21Å; E103-T107 PolarHBondContact O-OG1 3.39Å; E103-T126 HydrophobicContact CB-CG2 3.86Å
104L98.4Very high97.3Very high0 Ų074.9 Ų74.90%036%0.361CS..Hα-helixtrans-63.1-40176.3-72.5168.2000111.4Q100 Q102 F108 I122 L128 V133 W136 F137Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 WeakPolarHBondContact O-CD1 3.07Å; Q100-L104 WeakPolarHBondContact O-CG 3.05Å; Q100-L104 PolarHBondContact O-N 3.14Å; Q102-L104 PolarHBondContact O-N 2.93Å; L104-F108 WeakPolarHBondContact O-CB 3.44Å; L104-F108 PolarHBondContact O-N 2.83Å; L104-I122 HydrophobicContact CD2-CG2 3.63Å; L104-L128 HydrophobicContact CD1-CD1 3.94Å; L104-V133 HydrophobicContact CD2-CG1 4.16Å; L104-V133 HydrophobicContact CD2-CG2 4.48Å; L104-W136 VanDerWaalsContact C-CH2 3.44Å; L104-W136 HydrophobicContact CB-CD2 4Å; L104-W136 HydrophobicContact CB-CE3 3.97Å; L104-W136 HydrophobicContact CB-CH2 3.61Å; L104-W136 HydrophobicContact CB-CZ2 3.57Å; L104-W136 HydrophobicContact CB-CZ3 3.8Å; L104-W136 HydrophobicContact CD1-CD2 3.89Å; L104-W136 HydrophobicContact CD1-CE3 4.49Å; L104-W136 HydrophobicContact CD1-CG 3.91Å; L104-W136 HydrophobicContact CD2-CD2 4.37Å; L104-W136 HydrophobicContact CD2-CE3 4.18Å; L104-W136 HydrophobicContact CG-CD2 4.33Å; L104-W136 HydrophobicContact CG-CE3 4.46Å; L104-W136 WeakPolarHBondContact O-CH2 3.35Å; L104-W136 WeakPolarHBondContact O-CZ3 3.22Å; L104-F137 HydrophobicContact CD2-CE2 3.99Å
105E98.3Very high97.6Very high50 Ų5078.5 Ų78.523%0.23438%0.378CS..Hα-helixtrans-71-42.7177.7-16963.3-151.300112.1L101 Q102 E103 T107 F108 Q109 R140L101-E105 WeakPolarHBondContact O-CB 3.47Å; L101-E105 PolarHBondContact O-N 3.47Å; Q102-E105 PolarHBondContact O-N 3.29Å; E103-E105 VanDerWaalsContact C-N 3.32Å; E103-E105 PolarHBondContact O-N 3.38Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 3.22Å; E105-F108 WeakPolarHBondContact O-CB 3.4Å; E105-F108 PolarHBondContact O-N 3.26Å; E105-F108 VanDerWaalsContact O-N 3.09Å; E105-Q109 WeakPolarHBondContact O-CG 3.38Å; E105-Q109 PolarHBondContact O-N 3.44Å; E105-Q109 PolarHBondContact OE1-NE2 2.93Å; E105-R140 IonicContact OE1-CZ 3.43Å; E105-R140 IonicContact OE1-NE 3.33Å; E105-R140 PolarHBondContact OE1-NE 3Å; E105-R140 IonicContact OE1-NH2 2.69Å; E105-R140 PolarHBondContact OE1-NH2 3.16Å; E105-R140 IonicContact OE2-CZ 3.41Å; E105-R140 IonicContact OE2-NE 2.7Å; E105-R140 PolarHBondContact OE2-NE 3.27Å; E105-R140 IonicContact OE2-NH2 3.36Å; E105-R140 PolarHBondContact OE2-NH2 2.99Å
106A97.7Very high97.7Very high43 Ų4373.9 Ų73.936%0.35536%0.358SS..Hα-helixtrans-56.5-45.9174.700000110.8Q102 E103 Q109 R110Q102-A106 WeakPolarHBondContact O-CB 3.47Å; Q102-A106 PolarHBondContact O-N 3.28Å; E103-A106 PolarHBondContact O-N 3.44Å; A106-Q109 PolarHBondContact O-N 2.62Å; A106-R110 PolarHBondContact O-N 2.88Å
107T97.3Very high97.8Very high19 Ų1974.8 Ų74.812%0.11737%0.373CS..Hα-helixtrans-64.8-40.7175.2-55.90000111.9E103 E105 Q109 R110 N111 M118 I122 F137E103-T107 WeakPolarHBondContact O-CB 3.43Å; E103-T107 PolarHBondContact O-N 3.21Å; E103-T107 PolarHBondContact O-OG1 3.39Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 3.22Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-N 2.83Å; T107-R110 PolarHBondContact O-N 3.11Å; T107-R110 VanDerWaalsContact O-N 3.16Å; T107-N111 PolarHBondContact O-N 3.47Å; T107-M118 HydrophobicContact CG2-CE 3.52Å; T107-I122 HydrophobicContact CG2-CD1 3.55Å; T107-I122 HydrophobicContact CG2-CG1 4.24Å; T107-F137 HydrophobicContact CG2-CZ 4.03Å
108F98.1Very high97.7Very high1 Ų174.2 Ų74.20%0.00437%0.365CS..Hα-helixtrans-60.7-34.2177.6-175.4-96.2000113.3L104 E105 N111 R112 W136 F137 R140 R141 W144L104-F108 WeakPolarHBondContact O-CB 3.44Å; L104-F108 PolarHBondContact O-N 2.83Å; E105-F108 WeakPolarHBondContact O-CB 3.4Å; E105-F108 PolarHBondContact O-N 3.26Å; E105-F108 VanDerWaalsContact O-N 3.09Å; F108-N111 CarbonylContact O-C 3.4Å; F108-R112 HydrophobicContact CD1-CG 4.39Å; F108-R112 HydrophobicContact CD2-CB 4.47Å; F108-R112 HydrophobicContact CD2-CG 4.32Å; F108-R112 HydrophobicContact CE1-CG 4.03Å; F108-R112 HydrophobicContact CE2-CB 4.04Å; F108-R112 HydrophobicContact CE2-CG 3.95Å; F108-R112 HydrophobicContact CZ-CB 4.29Å; F108-R112 HydrophobicContact CZ-CG 3.79Å; F108-R112 VanDerWaalsContact O-CG 3.27Å; F108-R112 WeakPolarHBondContact O-CG 3.2Å; F108-W136 HydrophobicContact CB-CH2 4.12Å; F108-W136 HydrophobicContact CB-CZ3 4.13Å; F108-W136 HydrophobicContact CD2-CZ3 4.35Å; F108-F137 HydrophobicContact CB-CE1 4.13Å; F108-F137 AromaticContact CD2-CD1 3.87Å; F108-F137 HydrophobicContact CD2-CD1 3.87Å; F108-F137 AromaticContact CD2-CE1 3.94Å; F108-F137 HydrophobicContact CD2-CE1 3.94Å; F108-R140 HydrophobicContact CD1-CG 3.93Å; F108-R140 HydrophobicContact CD2-CB 4.15Å; F108-R140 HydrophobicContact CD2-CG 3.52Å; F108-R140 HydrophobicContact CE1-CG 3.89Å; F108-R140 HydrophobicContact CE2-CB 3.99Å; F108-R140 HydrophobicContact CE2-CG 3.48Å; F108-R140 VanDerWaalsContact CE2-CG 3.48Å; F108-R140 HydrophobicContact CG-CG 3.76Å; F108-R140 HydrophobicContact CZ-CG 3.68Å; F108-R141 HydrophobicContact CE2-CG 3.85Å; F108-R141 HydrophobicContact CZ-CG 4.4Å; F108-W144 HydrophobicContact CZ-CB 4.13Å; F108-W144 HydrophobicContact CZ-CG 4.34Å
109Q97.6Very high97.7Very high103 Ų10372.3 Ų72.348%0.48135%0.345SS..Hα-helixtrans-66.4-40.2175.9-64-55.2-24.800111.9E105 A106 T107 R112E105-Q109 WeakPolarHBondContact O-CG 3.38Å; E105-Q109 PolarHBondContact O-N 3.44Å; E105-Q109 PolarHBondContact OE1-NE2 2.93Å; A106-Q109 PolarHBondContact O-N 2.62Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-N 2.83Å; Q109-R112 PolarHBondContact O-NH1 3.04Å
110R97Very high97.8Very high219 Ų21970.5 Ų70.583%0.82634%0.337SS*.Hα-helixtrans-74.1-47.8178.1-62177.3-176.4160.31.1112.2A106 T107A106-R110 PolarHBondContact O-N 2.88Å; T107-R110 PolarHBondContact O-N 3.11Å; T107-R110 VanDerWaalsContact O-N 3.16Å
111N97.6Very high97.8Very high57 Ų5775.7 Ų75.731%0.30536%0.361SS..  trans-141.3111.7-179.1-173.90000111.8T107 F108 Y113 P114 M118T107-N111 PolarHBondContact O-N 3.47Å; F108-N111 CarbonylContact O-C 3.4Å; N111-Y113 VanDerWaalsContact C-N 3.32Å; N111-Y113 PolarHBondContact ND2-O 3.32Å; N111-Y113 WeakPolarHBondContact OD1-CA 3.41Å; N111-Y113 PolarHBondContact OD1-N 2.94Å; N111-Y113 PolarHBondContact OD1-O 3.2Å; N111-P114 WeakPolarHBondContact ND2-CA 3.23Å; N111-M118 HydrophobicContact CB-CE 4.29Å; N111-M118 HydrophobicContact CB-SD 4.26Å; N111-M118 PolarHBondContact ND2-SD 2.96Å
112R97.1Very high97.7Very high79 Ų7972.9 Ų72.930%0.29835%0.346SS..SBendtrans-77.8-17.3178.9-65.9170.9175.164.64.5113.1F108 Q109 R141F108-R112 HydrophobicContact CD1-CG 4.39Å; F108-R112 HydrophobicContact CD2-CB 4.47Å; F108-R112 HydrophobicContact CD2-CG 4.32Å; F108-R112 HydrophobicContact CE1-CG 4.03Å; F108-R112 HydrophobicContact CE2-CB 4.04Å; F108-R112 HydrophobicContact CE2-CG 3.95Å; F108-R112 HydrophobicContact CZ-CB 4.29Å; F108-R112 HydrophobicContact CZ-CG 3.79Å; F108-R112 VanDerWaalsContact O-CG 3.27Å; F108-R112 WeakPolarHBondContact O-CG 3.2Å; Q109-R112 PolarHBondContact O-NH1 3.04Å; R112-R141 WeakPolarHBondContact O-CD 3.46Å; R112-R141 PolarHBondContact O-NH1 3.23Å
113Y98.1Very high97.8Very high148 Ų14867.4 Ų67.458%0.5832%0.322SS*.SBendtrans-128.868.3-178-64.1-88.4000110.1N111 D115 R141N111-Y113 VanDerWaalsContact C-N 3.32Å; N111-Y113 PolarHBondContact ND2-O 3.32Å; N111-Y113 WeakPolarHBondContact OD1-CA 3.41Å; N111-Y113 PolarHBondContact OD1-N 2.94Å; N111-Y113 PolarHBondContact OD1-O 3.2Å; Y113-D115 PolarHBondContact O-N 3.43Å; Y113-R141 VanDerWaalsContact CZ-CD 3.43Å
114P97.4Very high97.8Very high5 Ų569.6 Ų69.63%0.03234%0.34CS..  trans-63.7136.4176.528.9-36.6000110.4N111 M118 R119 I122 F137N111-P114 WeakPolarHBondContact ND2-CA 3.23Å; P114-M118 HydrophobicContact CB-CB 4.12Å; P114-M118 HydrophobicContact CB-CG 4.05Å; P114-M118 HydrophobicContact CB-SD 3.6Å; P114-M118 VanDerWaalsContact CB-SD 3.6Å; P114-R119 HydrophobicContact CB-CG 4Å; P114-R119 HydrophobicContact CG-CG 3.84Å; P114-R119 PolarHBondContact O-NH1 3.05Å; P114-I122 HydrophobicContact CB-CD1 4.38Å; P114-F137 HydrophobicContact CG-CD1 3.66Å; P114-F137 HydrophobicContact CG-CD2 3.93Å; P114-F137 HydrophobicContact CG-CE1 3.64Å; P114-F137 HydrophobicContact CG-CE2 3.93Å; P114-F137 HydrophobicContact CG-CG 3.82Å; P114-F137 HydrophobicContact CG-CZ 3.8Å
115D97.9Very high97.7Very high115 Ų11578.2 Ų78.262%0.61537%0.372SS*.  trans-74.1176.1175.5-165.118.4000112Y113 S117 M118 R119Y113-D115 PolarHBondContact O-N 3.43Å; D115-S117 PolarHBondContact O-N 3.41Å; D115-M118 PolarHBondContact O-N 3.44Å; D115-R119 WeakPolarHBondContact O-CG 3.47Å; D115-R119 PolarHBondContact O-N 3.19Å
116M97.7Very high97.6Very high66 Ų6676.2 Ų76.233%0.32536%0.363SS..Hα-helixtrans-53.8-53.9-178.4-170.266.7-172.800112.2M118 R119 E120 E130M116-M118 VanDerWaalsContact C-N 3.35Å; M116-M118 PolarHBondContact O-N 3.31Å; M116-R119 WeakPolarHBondContact O-CB 3.37Å; M116-R119 PolarHBondContact O-N 2.9Å; M116-R119 VanDerWaalsContact O-N 3.08Å; M116-R119 PolarHBondContact SD-NH2 3.34Å; M116-E120 HydrophobicContact CE-CG 4.29Å; M116-E120 VanDerWaalsContact CE-OE1 3.29Å; M116-E120 WeakPolarHBondContact CE-OE1 3.35Å; M116-E120 WeakPolarHBondContact O-CG 3.46Å; M116-E120 PolarHBondContact O-N 3.08Å; M116-E130 HydrophobicContact CE-CG 4.04Å; M116-E130 HydrophobicContact SD-CG 4.35Å
117S97.7Very high97.6Very high84 Ų8481.1 Ų81.159%0.58738%0.384SS*.Hα-helixtrans-60.5-43.2-178.3-49.90000112.2D115 R119 E120 E121D115-S117 PolarHBondContact O-N 3.41Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 3.36Å; S117-E120 WeakPolarHBondContact O-CB 3.22Å; S117-E120 PolarHBondContact O-N 3.22Å; S117-E121 PolarHBondContact O-N 3.13Å
118M97.3Very high97.6Very high59 Ų5981.3 Ų81.329%0.29138%0.384SS..Hα-helixtrans-64.5-37.3176.7-168-173.9-169.400111.6T107 N111 P114 D115 M116 E120 E121 I122T107-M118 HydrophobicContact CG2-CE 3.52Å; N111-M118 HydrophobicContact CB-CE 4.29Å; N111-M118 HydrophobicContact CB-SD 4.26Å; N111-M118 PolarHBondContact ND2-SD 2.96Å; P114-M118 HydrophobicContact CB-CB 4.12Å; P114-M118 HydrophobicContact CB-CG 4.05Å; P114-M118 HydrophobicContact CB-SD 3.6Å; P114-M118 VanDerWaalsContact CB-SD 3.6Å; D115-M118 PolarHBondContact O-N 3.44Å; M116-M118 VanDerWaalsContact C-N 3.35Å; M116-M118 PolarHBondContact O-N 3.31Å; M118-E120 VanDerWaalsContact C-N 3.31Å; M118-E120 PolarHBondContact O-N 3.25Å; M118-E121 PolarHBondContact O-N 3.14Å; M118-I122 HydrophobicContact CG-CD1 4.12Å; M118-I122 VanDerWaalsContact O-CD1 3.3Å; M118-I122 WeakPolarHBondContact O-CD1 3.43Å; M118-I122 WeakPolarHBondContact O-CG1 3.36Å; M118-I122 PolarHBondContact O-N 3.32Å
119R98.2Very high97.5Very high46 Ų4685.2 Ų85.217%0.17441%0.408CS..Hα-helixtrans-66.2-34.7175.4-71.5-170.2-58.2-88.5-1.3112.2P114 D115 M116 S117 A123 E130 V133P114-R119 HydrophobicContact CB-CG 4Å; P114-R119 HydrophobicContact CG-CG 3.84Å; P114-R119 PolarHBondContact O-NH1 3.05Å; D115-R119 WeakPolarHBondContact O-CG 3.47Å; D115-R119 PolarHBondContact O-N 3.19Å; M116-R119 WeakPolarHBondContact O-CB 3.37Å; M116-R119 PolarHBondContact O-N 2.9Å; M116-R119 VanDerWaalsContact O-N 3.08Å; M116-R119 PolarHBondContact SD-NH2 3.34Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 3.36Å; R119-A123 WeakPolarHBondContact O-CB 3.49Å; R119-A123 PolarHBondContact O-N 3.16Å; R119-E130 HydrophobicContact CB-CG 3.94Å; R119-E130 IonicContact CZ-OE1 3.79Å; R119-E130 IonicContact NE-OE1 2.96Å; R119-E130 PolarHBondContact NE-OE1 3.2Å; R119-E130 IonicContact NH2-OE1 3.75Å; R119-V133 HydrophobicContact CB-CG1 4.36Å; R119-V133 HydrophobicContact CG-CG1 4.33Å
120E98.3Very high97.6Very high94 Ų9481.2 Ų81.244%0.43939%0.389SS..Hα-helixtrans-67.7-43.7175.6-69.6175.115600111.3M116 S117 M118 A123 V124 E130M116-E120 HydrophobicContact CE-CG 4.29Å; M116-E120 VanDerWaalsContact CE-OE1 3.29Å; M116-E120 WeakPolarHBondContact CE-OE1 3.35Å; M116-E120 WeakPolarHBondContact O-CG 3.46Å; M116-E120 PolarHBondContact O-N 3.08Å; S117-E120 WeakPolarHBondContact O-CB 3.22Å; S117-E120 PolarHBondContact O-N 3.22Å; M118-E120 VanDerWaalsContact C-N 3.31Å; M118-E120 PolarHBondContact O-N 3.25Å; E120-A123 WeakPolarHBondContact O-CB 3.27Å; E120-A123 PolarHBondContact O-N 3Å; E120-A123 VanDerWaalsContact O-N 3.16Å; E120-V124 WeakPolarHBondContact O-CG2 3.35Å; E120-V124 PolarHBondContact O-N 3.2Å; E120-E130 HydrophobicContact CG-CB 4.4Å; E120-E130 HydrophobicContact CG-CG 4.08Å
121E98Very high97.6Very high137 Ų13774 Ų7464%0.6437%0.371SS*.Hα-helixtrans-59.3-48.9174.8-172.9-175.8173.700112S117 M118 A123 V124 W125S117-E121 PolarHBondContact O-N 3.13Å; M118-E121 PolarHBondContact O-N 3.14Å; E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 2.76Å; E121-V124 PolarHBondContact O-N 2.87Å; E121-W125 PolarHBondContact O-N 3.2Å
122I97.7Very high97.5Very high13 Ų1375.5 Ų75.57%0.06737%0.372CS..Hα-helixtrans-59.9-39.6175.7-63.3160.5000110.7L104 T107 P114 M118 W125 T126 V133 F137L104-I122 HydrophobicContact CD2-CG2 3.63Å; T107-I122 HydrophobicContact CG2-CD1 3.55Å; T107-I122 HydrophobicContact CG2-CG1 4.24Å; P114-I122 HydrophobicContact CB-CD1 4.38Å; M118-I122 HydrophobicContact CG-CD1 4.12Å; M118-I122 VanDerWaalsContact O-CD1 3.3Å; M118-I122 WeakPolarHBondContact O-CD1 3.43Å; M118-I122 WeakPolarHBondContact O-CG1 3.36Å; M118-I122 PolarHBondContact O-N 3.32Å; I122-W125 PolarHBondContact O-N 2.89Å; I122-T126 HydrophobicContact CG2-CG2 4.17Å; I122-T126 WeakPolarHBondContact O-CB 3.35Å; I122-T126 WeakPolarHBondContact O-CG2 3.37Å; I122-T126 PolarHBondContact O-N 3.31Å; I122-T126 PolarHBondContact O-OG1 3.32Å; I122-V133 HydrophobicContact CB-CG1 4.33Å; I122-V133 HydrophobicContact CG2-CG1 3.98Å; I122-V133 HydrophobicContact CG2-CG2 4.31Å; I122-F137 HydrophobicContact CD1-CE2 4.01Å; I122-F137 HydrophobicContact CD1-CZ 4.1Å
123A98.1Very high97.6Very high7 Ų771.7 Ų71.76%0.05836%0.358CS..Hα-helixtrans-62.2-44.418000000111.3R119 E120 E121 N127 L128 E130 V133R119-A123 WeakPolarHBondContact O-CB 3.49Å; R119-A123 PolarHBondContact O-N 3.16Å; E120-A123 WeakPolarHBondContact O-CB 3.27Å; E120-A123 PolarHBondContact O-N 3Å; E120-A123 VanDerWaalsContact O-N 3.16Å; E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 2.76Å; A123-N127 PolarHBondContact O-N 2.97Å; A123-N127 VanDerWaalsContact O-N 3.1Å; A123-L128 CarbonylContact C-O 3.59Å; A123-L128 VanDerWaalsContact CB-O 3.3Å; A123-L128 WeakPolarHBondContact CB-O 3.37Å; A123-L128 PolarHBondContact O-N 3.43Å; A123-E130 HydrophobicContact CB-CB 4.33Å; A123-V133 HydrophobicContact CB-CG2 3.96Å
124V97.9Very high97.6Very high116 Ų11670.3 Ų70.370%0.70335%0.351SS*.Hα-helixtrans-61.9-52.2174.5175.10000110.6E120 E121 T126 N127E120-V124 WeakPolarHBondContact O-CG2 3.35Å; E120-V124 PolarHBondContact O-N 3.2Å; E121-V124 PolarHBondContact O-N 2.87Å; V124-T126 VanDerWaalsContact C-N 3.31Å; V124-T126 PolarHBondContact O-N 3Å; V124-N127 PolarHBondContact O-N 2.9Å
125W96.7Very high97.6Very high182 Ų18273.3 Ų73.369%0.68937%0.37SS*.Hα-helixtrans-62.1-35.1-177.1-172.8-79.7000113.6E121 I122E121-W125 PolarHBondContact O-N 3.2Å; I122-W125 PolarHBondContact O-N 2.89Å
126T96.8Very high97.6Very high7 Ų769.1 Ų69.14%0.04335%0.345CS..THydrogen-bonded Turntrans-94.51.4-178.459.50000113.8Q100 E103 I122 V124 L128Q100-T126 WeakPolarHBondContact CG-O 3.31Å; Q100-T126 PolarHBondContact NE2-O 2.96Å; E103-T126 HydrophobicContact CB-CG2 3.86Å; I122-T126 HydrophobicContact CG2-CG2 4.17Å; I122-T126 WeakPolarHBondContact O-CB 3.35Å; I122-T126 WeakPolarHBondContact O-CG2 3.37Å; I122-T126 PolarHBondContact O-N 3.31Å; I122-T126 PolarHBondContact O-OG1 3.32Å; V124-T126 VanDerWaalsContact C-N 3.31Å; V124-T126 PolarHBondContact O-N 3Å; T126-L128 PolarHBondContact O-N 3.36Å; T126-L128 WeakPolarHBondContact OG1-CD1 3.48Å
127N97.7Very high97.6Very high146 Ų14666 Ų6678%0.78133%0.33SS*.THydrogen-bonded Turntrans51.841.7-172.1-6184.6000112.9A123 V124A123-N127 PolarHBondContact O-N 2.97Å; A123-N127 VanDerWaalsContact O-N 3.1Å; V124-N127 PolarHBondContact O-N 2.9Å
128L96.3Very high97.6Very high23 Ų2368 Ų6812%0.1233%0.328CS..  trans-113.9162.7175.1-64.9173.8000109.6T94 F96 L104 A123 T126 V133T94-L128 HydrophobicContact CG2-CD2 4.22Å; F96-L128 HydrophobicContact CD1-CD1 3.65Å; F96-L128 HydrophobicContact CD1-CD2 3.79Å; F96-L128 HydrophobicContact CD1-CG 4.38Å; F96-L128 HydrophobicContact CE1-CD1 3.52Å; F96-L128 HydrophobicContact CE1-CD2 3.75Å; F96-L128 HydrophobicContact CE1-CG 4.28Å; L104-L128 HydrophobicContact CD1-CD1 3.94Å; A123-L128 CarbonylContact C-O 3.59Å; A123-L128 VanDerWaalsContact CB-O 3.3Å; A123-L128 WeakPolarHBondContact CB-O 3.37Å; A123-L128 PolarHBondContact O-N 3.43Å; T126-L128 PolarHBondContact O-N 3.36Å; T126-L128 WeakPolarHBondContact OG1-CD1 3.48Å; L128-V133 HydrophobicContact CB-CG2 4.01Å; L128-V133 HydrophobicContact CD1-CG2 4.34Å
129T97.4Very high97.7Very high83 Ų8369.3 Ų69.351%0.50934%0.336SS..  trans-85145.7169.365.80000110.1P131 R132 V133T129-P131 VanDerWaalsContact O-N 3.13Å; T129-R132 WeakPolarHBondContact O-CA 3.4Å; T129-R132 WeakPolarHBondContact O-CB 3.27Å; T129-R132 PolarHBondContact O-N 2.69Å; T129-R132 VanDerWaalsContact OG1-CG 3.28Å; T129-R132 WeakPolarHBondContact OG1-CG 3.35Å; T129-V133 PolarHBondContact O-N 3.49Å; T129-V133 VanDerWaalsContact O-N 3.17Å
130E97.9Very high97.7Very high20 Ų2069.1 Ų69.19%0.09334%0.335CS..Hα-helixtrans-48.8-40.3177.7-177.9-76.3155.800112.7M116 R119 E120 A123 R132 V133 R134M116-E130 HydrophobicContact CE-CG 4.04Å; M116-E130 HydrophobicContact SD-CG 4.35Å; R119-E130 HydrophobicContact CB-CG 3.94Å; R119-E130 IonicContact CZ-OE1 3.79Å; R119-E130 IonicContact NE-OE1 2.96Å; R119-E130 PolarHBondContact NE-OE1 3.2Å; R119-E130 IonicContact NH2-OE1 3.75Å; E120-E130 HydrophobicContact CG-CB 4.4Å; E120-E130 HydrophobicContact CG-CG 4.08Å; A123-E130 HydrophobicContact CB-CB 4.33Å; E130-R132 VanDerWaalsContact C-N 3.27Å; E130-R132 PolarHBondContact O-N 2.7Å; E130-V133 PolarHBondContact O-N 3.44Å; E130-R134 WeakPolarHBondContact O-CB 3.43Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 3.37Å; E130-R134 IonicContact OE1-NE 2.86Å; E130-R134 PolarHBondContact OE1-NE 2.8Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.44Å; E130-R134 IonicContact OE2-CZ 3.26Å; E130-R134 VanDerWaalsContact OE2-CZ 3.26Å; E130-R134 IonicContact OE2-NE 3.44Å; E130-R134 PolarHBondContact OE2-NE 3.16Å; E130-R134 IonicContact OE2-NH2 2.63Å; E130-R134 PolarHBondContact OE2-NH2 2.94Å
131P97.1Very high97.7Very high67 Ų6767.1 Ų67.144%0.43532%0.324SS..Hα-helixtrans-61.3-32.8175.6-27.636.4000113.8T129 V135T129-P131 VanDerWaalsContact O-N 3.13Å; P131-V135 WeakPolarHBondContact O-CB 3.37Å; P131-V135 VanDerWaalsContact O-CG2 3.24Å; P131-V135 WeakPolarHBondContact O-CG2 3.47Å; P131-V135 PolarHBondContact O-N 3.09Å
132R97.2Very high97.6Very high88 Ų8862.4 Ų62.433%0.33231%0.309SS..Hα-helixtrans-71.1-43176.8-62.3-67.3177.6160.45.5110.7Q92 T94 T129 E130 V135 W136Q92-R132 PolarHBondContact O-NH1 2.84Å; Q92-R132 PolarHBondContact O-NH2 3.3Å; T94-R132 VanDerWaalsContact OG1-CD 3.23Å; T94-R132 WeakPolarHBondContact OG1-CD 3.39Å; T94-R132 PolarHBondContact OG1-NE 3.33Å; T94-R132 PolarHBondContact OG1-NH1 2.99Å; T94-R132 PolarHBondContact OG1-NH2 3.23Å; T129-R132 WeakPolarHBondContact O-CA 3.4Å; T129-R132 WeakPolarHBondContact O-CB 3.27Å; T129-R132 PolarHBondContact O-N 2.69Å; T129-R132 VanDerWaalsContact OG1-CG 3.28Å; T129-R132 WeakPolarHBondContact OG1-CG 3.35Å; E130-R132 VanDerWaalsContact C-N 3.27Å; E130-R132 PolarHBondContact O-N 2.7Å; R132-V135 PolarHBondContact O-N 3.32Å; R132-W136 WeakPolarHBondContact O-CB 3.38Å; R132-W136 PolarHBondContact O-N 3.39Å
133V98Very high97.6Very high0 Ų068.7 Ų68.70%034%0.336CS..Hα-helixtrans-60-49.2173.5178.30000109.9L104 R119 I122 A123 L128 T129 E130 V135 W136 F137L104-V133 HydrophobicContact CD2-CG1 4.16Å; L104-V133 HydrophobicContact CD2-CG2 4.48Å; R119-V133 HydrophobicContact CB-CG1 4.36Å; R119-V133 HydrophobicContact CG-CG1 4.33Å; I122-V133 HydrophobicContact CB-CG1 4.33Å; I122-V133 HydrophobicContact CG2-CG1 3.98Å; I122-V133 HydrophobicContact CG2-CG2 4.31Å; A123-V133 HydrophobicContact CB-CG2 3.96Å; L128-V133 HydrophobicContact CB-CG2 4.01Å; L128-V133 HydrophobicContact CD1-CG2 4.34Å; T129-V133 PolarHBondContact O-N 3.49Å; T129-V133 VanDerWaalsContact O-N 3.17Å; E130-V133 PolarHBondContact O-N 3.44Å; V133-V135 PolarHBondContact O-N 3.35Å; V133-W136 WeakPolarHBondContact O-CB 3.47Å; V133-W136 PolarHBondContact O-N 2.98Å; V133-W136 VanDerWaalsContact O-N 3.09Å; V133-F137 HydrophobicContact CG1-CD2 3.64Å; V133-F137 HydrophobicContact CG1-CE2 3.65Å; V133-F137 WeakPolarHBondContact O-CD2 3.5Å; V133-F137 PolarHBondContact O-N 2.82Å
134R97.7Very high97.4Very high118 Ų11872.3 Ų72.345%0.44535%0.348SS..Hα-helixtrans-54.5-47.2176.4-168.2-164.6-56.8169.5-7.1112.6E130 K138E130-R134 WeakPolarHBondContact O-CB 3.43Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 3.37Å; E130-R134 IonicContact OE1-NE 2.86Å; E130-R134 PolarHBondContact OE1-NE 2.8Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.44Å; E130-R134 IonicContact OE2-CZ 3.26Å; E130-R134 VanDerWaalsContact OE2-CZ 3.26Å; E130-R134 IonicContact OE2-NE 3.44Å; E130-R134 PolarHBondContact OE2-NE 3.16Å; E130-R134 IonicContact OE2-NH2 2.63Å; E130-R134 PolarHBondContact OE2-NH2 2.94Å; R134-K138 WeakPolarHBondContact O-CB 3.5Å; R134-K138 PolarHBondContact O-N 3.49Å
135V97.7Very high97.3Very high69 Ų6972.4 Ų72.442%0.41834%0.336SS..Hα-helixtrans-66.8-39.3177.3170.70000111.5P131 R132 V133 K138 N139P131-V135 WeakPolarHBondContact O-CB 3.37Å; P131-V135 VanDerWaalsContact O-CG2 3.24Å; P131-V135 WeakPolarHBondContact O-CG2 3.47Å; P131-V135 PolarHBondContact O-N 3.09Å; R132-V135 PolarHBondContact O-N 3.32Å; V133-V135 PolarHBondContact O-N 3.35Å; V135-K138 PolarHBondContact O-N 3Å; V135-N139 PolarHBondContact O-N 3.36Å
136W98.1Very high97.1Very high27 Ų2769.6 Ų69.610%0.10233%0.328CS..Hα-helixtrans-59.9-51.7176-174.9101.7000111F96 L104 F108 R132 V133 K138 N139 R140F96-W136 AromaticContact CE2-CD1 3.78Å; F96-W136 HydrophobicContact CZ-CB 4.34Å; F96-W136 AromaticContact CZ-CD1 3.99Å; L104-W136 VanDerWaalsContact C-CH2 3.44Å; L104-W136 HydrophobicContact CB-CD2 4Å; L104-W136 HydrophobicContact CB-CE3 3.97Å; L104-W136 HydrophobicContact CB-CH2 3.61Å; L104-W136 HydrophobicContact CB-CZ2 3.57Å; L104-W136 HydrophobicContact CB-CZ3 3.8Å; L104-W136 HydrophobicContact CD1-CD2 3.89Å; L104-W136 HydrophobicContact CD1-CE3 4.49Å; L104-W136 HydrophobicContact CD1-CG 3.91Å; L104-W136 HydrophobicContact CD2-CD2 4.37Å; L104-W136 HydrophobicContact CD2-CE3 4.18Å; L104-W136 HydrophobicContact CG-CD2 4.33Å; L104-W136 HydrophobicContact CG-CE3 4.46Å; L104-W136 WeakPolarHBondContact O-CH2 3.35Å; L104-W136 WeakPolarHBondContact O-CZ3 3.22Å; F108-W136 HydrophobicContact CB-CH2 4.12Å; F108-W136 HydrophobicContact CB-CZ3 4.13Å; F108-W136 HydrophobicContact CD2-CZ3 4.35Å; R132-W136 WeakPolarHBondContact O-CB 3.38Å; R132-W136 PolarHBondContact O-N 3.39Å; V133-W136 WeakPolarHBondContact O-CB 3.47Å; V133-W136 PolarHBondContact O-N 2.98Å; V133-W136 VanDerWaalsContact O-N 3.09Å; W136-K138 VanDerWaalsContact C-N 3.32Å; W136-K138 PolarHBondContact O-N 3.43Å; W136-N139 PolarHBondContact O-N 2.74Å; W136-N139 VanDerWaalsContact O-N 3.16Å; W136-R140 HydrophobicContact CE3-CB 4.15Å; W136-R140 HydrophobicContact CH2-CB 4.11Å; W136-R140 HydrophobicContact CH2-CG 3.77Å; W136-R140 HydrophobicContact CZ2-CG 4.34Å; W136-R140 HydrophobicContact CZ3-CB 3.92Å; W136-R140 HydrophobicContact CZ3-CG 3.96Å; W136-R140 WeakPolarHBondContact O-CB 3.3Å; W136-R140 PolarHBondContact O-N 3.07Å
137F98.6Very high96.8Very high1 Ų176.7 Ų76.70%0.00435%0.354CS..Hα-helixtrans-60.7-39.6178.1-88.3-85.7000112L104 T107 F108 P114 I122 V133 R140 R141L104-F137 HydrophobicContact CD2-CE2 3.99Å; T107-F137 HydrophobicContact CG2-CZ 4.03Å; F108-F137 HydrophobicContact CB-CE1 4.13Å; F108-F137 AromaticContact CD2-CD1 3.87Å; F108-F137 HydrophobicContact CD2-CD1 3.87Å; F108-F137 AromaticContact CD2-CE1 3.94Å; F108-F137 HydrophobicContact CD2-CE1 3.94Å; P114-F137 HydrophobicContact CG-CD1 3.66Å; P114-F137 HydrophobicContact CG-CD2 3.93Å; P114-F137 HydrophobicContact CG-CE1 3.64Å; P114-F137 HydrophobicContact CG-CE2 3.93Å; P114-F137 HydrophobicContact CG-CG 3.82Å; P114-F137 HydrophobicContact CG-CZ 3.8Å; I122-F137 HydrophobicContact CD1-CE2 4.01Å; I122-F137 HydrophobicContact CD1-CZ 4.1Å; V133-F137 HydrophobicContact CG1-CD2 3.64Å; V133-F137 HydrophobicContact CG1-CE2 3.65Å; V133-F137 WeakPolarHBondContact O-CD2 3.5Å; V133-F137 PolarHBondContact O-N 2.82Å; F137-R140 PolarHBondContact O-N 2.96Å; F137-R141 WeakPolarHBondContact O-CB 3.49Å; F137-R141 WeakPolarHBondContact O-CG 3.35Å; F137-R141 PolarHBondContact O-N 3.5Å
138K98Very high96Very high125 Ų12574.1 Ų74.154%0.54334%0.337SS..Hα-helixtrans-59.4-49.1174.2-173.8177.570.6175.90111.9R134 V135 W136 R140 R141 A142R134-K138 WeakPolarHBondContact O-CB 3.5Å; R134-K138 PolarHBondContact O-N 3.49Å; V135-K138 PolarHBondContact O-N 3Å; W136-K138 VanDerWaalsContact C-N 3.32Å; W136-K138 PolarHBondContact O-N 3.43Å; K138-R140 VanDerWaalsContact C-N 3.35Å; K138-R141 PolarHBondContact O-N 3.28Å; K138-A142 PolarHBondContact O-N 2.8Å
139N98.1Very high95.4Very high87 Ų8781 Ų8147%0.46536%0.362SS..Hα-helixtrans-66.9-37.1178.9-72.9-18.1000111.8V135 W136 A142 K143V135-N139 PolarHBondContact O-N 3.36Å; W136-N139 PolarHBondContact O-N 2.74Å; W136-N139 VanDerWaalsContact O-N 3.16Å; N139-A142 WeakPolarHBondContact O-CB 3.37Å; N139-A142 PolarHBondContact O-N 3.36Å; N139-K143 PolarHBondContact O-N 3.05Å
140R98.1Very high94.5Very high41 Ų4180.2 Ų80.216%0.15535%0.354CS..Hα-helixtrans-64.1-46.5177.2-172.166.5-174.6116.4-6.6111.4E105 F108 W136 F137 K138 A142 K143 W144E105-R140 IonicContact OE1-CZ 3.43Å; E105-R140 IonicContact OE1-NE 3.33Å; E105-R140 PolarHBondContact OE1-NE 3Å; E105-R140 IonicContact OE1-NH2 2.69Å; E105-R140 PolarHBondContact OE1-NH2 3.16Å; E105-R140 IonicContact OE2-CZ 3.41Å; E105-R140 IonicContact OE2-NE 2.7Å; E105-R140 PolarHBondContact OE2-NE 3.27Å; E105-R140 IonicContact OE2-NH2 3.36Å; E105-R140 PolarHBondContact OE2-NH2 2.99Å; F108-R140 HydrophobicContact CD1-CG 3.93Å; F108-R140 HydrophobicContact CD2-CB 4.15Å; F108-R140 HydrophobicContact CD2-CG 3.52Å; F108-R140 HydrophobicContact CE1-CG 3.89Å; F108-R140 HydrophobicContact CE2-CB 3.99Å; F108-R140 HydrophobicContact CE2-CG 3.48Å; F108-R140 VanDerWaalsContact CE2-CG 3.48Å; F108-R140 HydrophobicContact CG-CG 3.76Å; F108-R140 HydrophobicContact CZ-CG 3.68Å; W136-R140 HydrophobicContact CE3-CB 4.15Å; W136-R140 HydrophobicContact CH2-CB 4.11Å; W136-R140 HydrophobicContact CH2-CG 3.77Å; W136-R140 HydrophobicContact CZ2-CG 4.34Å; W136-R140 HydrophobicContact CZ3-CB 3.92Å; W136-R140 HydrophobicContact CZ3-CG 3.96Å; W136-R140 WeakPolarHBondContact O-CB 3.3Å; W136-R140 PolarHBondContact O-N 3.07Å; F137-R140 PolarHBondContact O-N 2.96Å; K138-R140 VanDerWaalsContact C-N 3.35Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.22Å; R140-K143 PolarHBondContact O-N 2.91Å; R140-W144 PolarHBondContact O-N 2.7Å
141R97.9Very high93.5Very high52 Ų5284.7 Ų84.720%0.19638%0.375CS..Hα-helixtrans-60.4-38.8171.9-73-165.6-65.1-89.64112.7F108 R112 Y113 F137 K138 W144 R145F108-R141 HydrophobicContact CE2-CG 3.85Å; F108-R141 HydrophobicContact CZ-CG 4.4Å; R112-R141 WeakPolarHBondContact O-CD 3.46Å; R112-R141 PolarHBondContact O-NH1 3.23Å; Y113-R141 VanDerWaalsContact CZ-CD 3.43Å; F137-R141 WeakPolarHBondContact O-CB 3.49Å; F137-R141 WeakPolarHBondContact O-CG 3.35Å; F137-R141 PolarHBondContact O-N 3.5Å; K138-R141 PolarHBondContact O-N 3.28Å; R141-W144 PolarHBondContact O-N 2.92Å; R141-R145 PolarHBondContact O-N 3.05Å
142A97.6Very high92.1Very high39 Ų3986.9 Ų86.932%0.32238%0.38SS..Hα-helixtrans-62.7-42.7175.600000111.9K138 N139 R140 K146K138-A142 PolarHBondContact O-N 2.8Å; N139-A142 WeakPolarHBondContact O-CB 3.37Å; N139-A142 PolarHBondContact O-N 3.36Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.22Å; A142-K146 WeakPolarHBondContact O-CB 3.48Å; A142-K146 PolarHBondContact O-N 3.5Å
143K96.5Very high90.8Very high145 Ų14585.4 Ų85.463%0.6338%0.378SS*.Hα-helixtrans-64.6-41.8173.6-72.3-177.8178.5-176.20112N139 R140 K146 R147N139-K143 PolarHBondContact O-N 3.05Å; R140-K143 PolarHBondContact O-N 2.91Å; K143-K146 PolarHBondContact O-N 2.99Å; K143-R147 PolarHBondContact O-N 2.94Å
144W95.2Very high89.2Confident82 Ų8290 Ų9031%0.31140%0.403SS..Hα-helixtrans-59.3-51.2177.7178.475.2000111.3F108 R140 R141 K146 R147 E148F108-W144 HydrophobicContact CZ-CB 4.13Å; F108-W144 HydrophobicContact CZ-CG 4.34Å; R140-W144 PolarHBondContact O-N 2.7Å; R141-W144 PolarHBondContact O-N 2.92Å; W144-K146 VanDerWaalsContact C-N 3.29Å; W144-K146 PolarHBondContact O-N 3.45Å; W144-R147 WeakPolarHBondContact O-CB 3.36Å; W144-R147 PolarHBondContact O-N 3.26Å; W144-E148 WeakPolarHBondContact CZ2-OE1 3.41Å; W144-E148 PolarHBondContact O-N 3.39Å
145R94.7Very high87.6Confident119 Ų11991 Ų9145%0.44942%0.416SS..Hα-helixtrans-63.3-30.6173.9-71.9-174.1-75.898.6-3.6113.9R141R141-R145 PolarHBondContact O-N 3.05Å
146K92.7Very high85.9Confident123 Ų12390.3 Ų90.354%0.53541%0.414SS..Hα-helixtrans-69.6-39.4176.4-173.1169.4-178.8179.20111A142 K143 W144 E148 R149 N150A142-K146 WeakPolarHBondContact O-CB 3.48Å; A142-K146 PolarHBondContact O-N 3.5Å; K143-K146 PolarHBondContact O-N 2.99Å; W144-K146 VanDerWaalsContact C-N 3.29Å; W144-K146 PolarHBondContact O-N 3.45Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.08Å; K146-R149 PolarHBondContact O-N 3.49Å; K146-N150 VanDerWaalsContact CG-OD1 3.31Å; K146-N150 WeakPolarHBondContact CG-OD1 3.38Å; K146-N150 WeakPolarHBondContact O-CB 3.37Å; K146-N150 PolarHBondContact O-N 3.08Å; K146-N150 PolarHBondContact O-OD1 3.14Å; K146-N150 VanDerWaalsContact O-OD1 3.05Å
147R90.1Very high84Confident155 Ų15595.9 Ų95.959%0.58544%0.439SS*.Hα-helixtrans-59-42177.7-172.4174.2-68.2177.2-5.1112K143 W144 R149 N150 Q151K143-R147 PolarHBondContact O-N 2.94Å; W144-R147 WeakPolarHBondContact O-CB 3.36Å; W144-R147 PolarHBondContact O-N 3.26Å; R147-R149 PolarHBondContact O-N 3.09Å; R147-N150 PolarHBondContact O-N 3.41Å; R147-Q151 WeakPolarHBondContact O-CG 3.37Å; R147-Q151 PolarHBondContact O-N 3.06Å
148E81.2Confident81.9Confident92 Ų9298.6 Ų98.643%0.4347%0.467SS..Hα-helixtrans-63.1-36.8176.7-67.2-178.8157.500113.6W144 K146 Q152W144-E148 WeakPolarHBondContact CZ2-OE1 3.41Å; W144-E148 PolarHBondContact O-N 3.39Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.08Å; E148-Q152 PolarHBondContact O-NE2 3.01Å
149R83.6Confident79.8Confident169 Ų16995.6 Ų95.664%0.63847%0.471SS*.Hα-helixtrans-74.9-36175.9-71.4-167-68.9143.6-6.3112.9K146 R147 Q152 L153K146-R149 PolarHBondContact O-N 3.49Å; R147-R149 PolarHBondContact O-N 3.09Å; R149-Q152 PolarHBondContact O-N 3.35Å; R149-L153 PolarHBondContact O-N 3.37Å
150N79.6Confident77.6Confident65 Ų65101.3 Ų101.335%0.34849%0.488SS..Hα-helixtrans-67.1-40.3178.1-86.479.5000111.6K146 R147 Q152 L153 D154K146-N150 VanDerWaalsContact CG-OD1 3.31Å; K146-N150 WeakPolarHBondContact CG-OD1 3.38Å; K146-N150 WeakPolarHBondContact O-CB 3.37Å; K146-N150 PolarHBondContact O-N 3.08Å; K146-N150 PolarHBondContact O-OD1 3.14Å; K146-N150 VanDerWaalsContact O-OD1 3.05Å; R147-N150 PolarHBondContact O-N 3.41Å; N150-Q152 VanDerWaalsContact C-N 3.28Å; N150-Q152 PolarHBondContact O-N 3.39Å; N150-L153 WeakPolarHBondContact O-CA 3.38Å; N150-L153 WeakPolarHBondContact O-CB 3.47Å; N150-L153 PolarHBondContact O-N 3.33Å; N150-D154 PolarHBondContact O-N 2.89Å
151Q75.8Confident75.5Confident115 Ų115105.2 Ų105.254%0.53752%0.516SS..Hα-helixtrans-57.2-40.5175.4-72.4179.9109.500112.2R147 L153 D154 L155R147-Q151 WeakPolarHBondContact O-CG 3.37Å; R147-Q151 PolarHBondContact O-N 3.06Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 PolarHBondContact O-N 2.83Å; Q151-D154 PolarHBondContact O-N 3.09Å; Q151-L155 WeakPolarHBondContact O-CD1 3.42Å; Q151-L155 PolarHBondContact O-N 2.87Å; Q151-L155 VanDerWaalsContact O-N 3.14Å
152Q67.1Low73.4Confident113 Ų113108.2 Ų108.253%0.52854%0.542SS..Hα-helixtrans-65.2-32.5174.8-71174.674.800113.2E148 R149 N150 C156E148-Q152 PolarHBondContact O-NE2 3.01Å; R149-Q152 PolarHBondContact O-N 3.35Å; N150-Q152 VanDerWaalsContact C-N 3.28Å; N150-Q152 PolarHBondContact O-N 3.39Å; Q152-C156 PolarHBondContact O-N 3.13Å; Q152-C156 PolarHBondContact O-SG 3.43Å
153L70.4Confident71.4Confident56 Ų56115.6 Ų115.629%0.29357%0.57SS.*Hα-helixtrans-72.4-37.1176.1-177.664.6000111.7R149 N150 Q151 L155 C156 K157R149-L153 PolarHBondContact O-N 3.37Å; N150-L153 WeakPolarHBondContact O-CA 3.38Å; N150-L153 WeakPolarHBondContact O-CB 3.47Å; N150-L153 PolarHBondContact O-N 3.33Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 PolarHBondContact O-N 2.83Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-C156 PolarHBondContact O-N 3.13Å; L153-K157 HydrophobicContact CG-CD 4.38Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 PolarHBondContact O-N 2.96Å
154D65.3Low69.3Low98 Ų98118 Ų11852%0.52458%0.581SS.*Hα-helixtrans-66.8-36.7177.7-65.1-48000110.9N150 Q151 C156 K157 G158N150-D154 PolarHBondContact O-N 2.89Å; Q151-D154 PolarHBondContact O-N 3.09Å; D154-C156 PolarHBondContact O-N 3.32Å; D154-K157 PolarHBondContact O-N 3.37Å; D154-G158 PolarHBondContact O-N 3.48Å
155L64Low67.1Low138 Ų138119.7 Ų119.772%0.72361%0.605SS**Hα-helixtrans-65.2-36.2172.4-86.877.8000112.9Q151 L153Q151-L155 WeakPolarHBondContact O-CD1 3.42Å; Q151-L155 PolarHBondContact O-N 2.87Å; Q151-L155 VanDerWaalsContact O-N 3.14Å; L153-L155 VanDerWaalsContact C-N 3.33Å
156C61.7Low64.8Low55 Ų55117.4 Ų117.437%0.37262%0.619SS.*Hα-helixtrans-83.4-15.2178.3-660000113.7Q152 L153 D154 T277Q152-C156 PolarHBondContact O-N 3.13Å; Q152-C156 PolarHBondContact O-SG 3.43Å; L153-C156 PolarHBondContact O-N 3.13Å; D154-C156 PolarHBondContact O-N 3.32Å; C156-T277 HydrophobicContact CB-CG2 3.74Å; C156-T277 WeakPolarHBondContact SG-CB 3.32Å; C156-T277 WeakPolarHBondContact SG-CG2 3.47Å
157K58.9Low63.1Low143 Ų143119.8 Ų119.862%0.62264%0.637SS**Hα-helixtrans-90.8-20.7170.5-86.8-177.3167.7-171.70113.5L153 D154 G159L153-K157 HydrophobicContact CG-CD 4.38Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 PolarHBondContact O-N 2.96Å; D154-K157 PolarHBondContact O-N 3.37Å; K157-G159 PolarHBondContact O-N 3.3Å
158G54.1Low61.5Low58 Ų58118.4 Ų118.460%0.59865%0.645SS**THydrogen-bonded Turntrans-66.7-11176.900000115.2D154D154-G158 PolarHBondContact O-N 3.48Å
159G53.6Low60Low62 Ų62122.2 Ų122.264%0.63966%0.663SS**THydrogen-bonded Turntrans-92.1-7.2-178.700000116.4K157K157-G159 PolarHBondContact O-N 3.3Å
160Y51Low58.4Low208 Ų208120.1 Ų120.182%0.81667%0.671SS**  trans-123.464.2-179.2-72.1-89.6000110.5P162Y160-P162 WeakPolarHBondContact O-CD 3.43Å
161V55.3Low56.6Low122 Ų122126.6 Ų126.674%0.73969%0.692SS**  trans-79.7120159.9-79.90000108.4Q163V161-Q163 PolarHBondContact O-N 2.96Å
162P53.9Low54.8Low115 Ų115128 Ų12875%0.74770%0.699SS**  trans-66.2125.716427.1-29.1000107.8Y160 F164Y160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-F164 PolarHBondContact O-N 2.64Å
163Q54.4Low53.8Low194 Ų194130 Ų13091%0.90771%0.713SS**THydrogen-bonded Turntrans-67.636.7-173.7-162.3-136-6100114.6V161V161-Q163 PolarHBondContact O-N 2.96Å
164F52.7Low52.9Low195 Ų195133.1 Ų133.186%0.85573%0.734SS**THydrogen-bonded Turntrans-111.9-1.6-176.1-157.4-101.5000115.9P162 G166P162-F164 PolarHBondContact O-N 2.64Å; F164-G166 PolarHBondContact O-N 3.21Å
165S49.5Very low51.9Low118 Ų118139.5 Ų139.583%0.82575%0.753SS**  trans-95.772.3172.3-73.90000111.4
166G46.8Very low51.2Low72 Ų72136.1 Ų136.174%0.74274%0.744SS**  trans-100.37.4176.800000115.7F164F164-G166 PolarHBondContact O-N 3.21Å
167L55.5Low50.4Low173 Ų173138.6 Ų138.691%0.90677%0.769SS**SBendtrans-136.616.4-175.9-72178.9000115.4
168V58.2Low49.4Very low126 Ų126135 Ų13576%0.76477%0.773SS**  trans-119.9106.4172.4-175.90000108.8
169Q48.4Very low49.1Very low171 Ų171143.9 Ų143.980%0.79979%0.79SS**  trans-49.6130.4173.3-75.6-86.2-50.400111Y171Q169-Y171 PolarHBondContact O-N 3.45Å
170P49.7Very low48.6Very low125 Ų125144.8 Ų144.881%0.81279%0.786SS**  trans-80.498.1166.131-27.1000108.4
171Y41.4Very low48.1Very low202 Ų202144.7 Ų144.779%0.79279%0.786SS**  trans-14486.8167.6-164.8-89000108.3Q169Q169-Y171 PolarHBondContact O-N 3.45Å
172E39.7Very low47.7Very low144 Ų144143.5 Ų143.567%0.67378%0.775SS**  trans-171.253.8159.4-98.3-68.9133.500106.1
173D45.8Very low47.7Very low156 Ų156143.6 Ų143.683%0.83477%0.77SS**  trans-101.2140151-93.9-68.1000104.8
174V51Low47.6Very low120 Ų120143.2 Ų143.273%0.72776%0.76SS**SBendtrans99.980.3-178.3-169.60000114.2
175Y44.7Very low47.8Very low233 Ų233136 Ų13691%0.91474%0.737SS**SBendtrans92-3141.1-81-96.8000124.2
176A49.3Very low47.9Very low66 Ų66134.1 Ų134.155%0.54573%0.728SS.*  trans-117.1130.2-176.100000115.2
177A43.9Very low48.3Very low108 Ų108139 Ų13989%0.89373%0.729SS**  trans74.191.5151.400000119.3
178G39.4Very low47.9Very low68 Ų68135.2 Ų135.270%0.70172%0.716SS**  trans130.190.3130.100000115.6S180G178-S180 PolarHBondContact O-N 3.49Å
179Y46.4Very low47.6Very low244 Ų244137.1 Ų137.196%0.95772%0.721SS**  trans-58.880144.9-84.9-88.9000108.9Y181Y179-Y181 VanDerWaalsContact C-N 3.29Å; Y179-Y181 PolarHBondContact O-N 3.02Å
180S44.2Very low47.6Very low81 Ų81133.6 Ų133.657%0.56672%0.722SS**  trans-84.577.7173.9-170.20000109.3G178 N182G178-S180 PolarHBondContact O-N 3.49Å; S180-N182 VanDerWaalsContact C-N 3.26Å; S180-N182 PolarHBondContact O-N 3.18Å
181Y41.1Very low47.5Very low206 Ų206133.6 Ų133.681%0.80872%0.722SS**  trans-7678.4167.7-163.9-88.6000107.7Y179Y179-Y181 VanDerWaalsContact C-N 3.29Å; Y179-Y181 PolarHBondContact O-N 3.02Å
182N45.2Very low47.7Very low96 Ų96128.6 Ų128.651%0.51372%0.722SS.*  trans160.364.9158.4-80.9-44.3000112.1S180 W184S180-N182 VanDerWaalsContact C-N 3.26Å; S180-N182 PolarHBondContact O-N 3.18Å; N182-W184 VanDerWaalsContact C-N 3.31Å; N182-W184 PolarHBondContact O-N 3.01Å; N182-W184 PolarHBondContact OD1-NE1 2.99Å
183N54.2Low48Very low118 Ų118126.9 Ų126.963%0.63172%0.723SS**THydrogen-bonded Turntrans-8611.1175.7-106.5-67.7000115
184W53.2Low48.1Very low186 Ų186127.7 Ų127.771%0.70573%0.727SS**THydrogen-bonded Turntrans-79.9-20.917756.4-89.6000113.2N182 K187N182-W184 VanDerWaalsContact C-N 3.31Å; N182-W184 PolarHBondContact O-N 3.01Å; N182-W184 PolarHBondContact OD1-NE1 2.99Å; W184-K187 WeakPolarHBondContact O-CE 3.37Å
185A56.5Low47.8Very low44 Ų44127.1 Ų127.136%0.36473%0.728SS.*SBendtrans-95.7-12.3-17400000115.4K187 S188A185-K187 PolarHBondContact O-N 3.41Å; A185-K187 VanDerWaalsContact O-N 3.08Å; A185-S188 PolarHBondContact O-OG 3.08Å; A185-S188 VanDerWaalsContact O-OG 3.09Å
186A52.5Low48Very low77 Ų77121.9 Ų121.964%0.63672%0.721SS**THydrogen-bonded Turntrans-73.71.9-176.600000114.9S188A186-S188 VanDerWaalsContact C-N 3.35Å
187K55.2Low48.2Very low175 Ų175128 Ų12876%0.76174%0.735SS**THydrogen-bonded Turntrans-89.312.5179.153.1170.3129.2-71.60114.5W184 A185W184-K187 WeakPolarHBondContact O-CE 3.37Å; A185-K187 PolarHBondContact O-N 3.41Å; A185-K187 VanDerWaalsContact O-N 3.08Å
188S46.4Very low48.2Very low93 Ų93127.9 Ų127.965%0.6573%0.728SS**SBendtrans-131.815.9-170.549.30000117.1A185 A186A185-S188 PolarHBondContact O-OG 3.08Å; A185-S188 VanDerWaalsContact O-OG 3.09Å; A186-S188 VanDerWaalsContact C-N 3.35Å
189L51.7Low48.9Very low166 Ų166134.9 Ų134.987%0.86974%0.739SS**  trans-133.678.3-178.9-74.8138.8000112.3
190A49.3Very low49.3Very low97 Ų97129.2 Ų129.280%0.80273%0.73SS**  trans-152.3133.7151.600000108.4
191P46.4Very low49.4Very low125 Ų125135.3 Ų135.381%0.81275%0.747SS**  trans-102.3142.7-156.830.1-17.1000115.5
192A44.9Very low49.6Very low97 Ų97133.9 Ų133.980%0.80275%0.745SS**  trans68.5162.415000000119.7
193P47.2Very low49.3Very low108 Ų108135.9 Ų135.970%0.70176%0.756SS**  cis-128.5151.60.416.69000116.1
194L48.4Very low49Very low173 Ų173135.1 Ų135.191%0.90676%0.76SS**  trans62.9101.7147.2-54.3165.2000118.3
195S44.5Very low48.9Very low108 Ų108134.5 Ų134.576%0.75577%0.767SS**  168.5102.6120.2-171.20000110K197S195-K197 PolarHBondContact O-N 3.04Å
196T47.3Very low48.5Very low124 Ų124138.2 Ų138.276%0.76179%0.79SS**  trans28.391.8139.6-42.10000116.7
197K53.6Low48.3Very low194 Ų194139.8 Ų139.884%0.84379%0.794SS**  178.8126.7117.145.2-147.3145-174.80112.3S195S195-K197 PolarHBondContact O-N 3.04Å
198S44.5Very low47.8Very low106 Ų106139.3 Ų139.374%0.74180%0.799SS**  trans-46.5137.3173.7-47.60000112.6T200S198-T200 PolarHBondContact O-N 3.38Å
199F53.9Low47.7Very low215 Ų215140.6 Ų140.694%0.94381%0.807SS**  trans-6797.4161.7-77.8-86.2000108.6F201F199-F201 PolarHBondContact O-N 3.33Å
200T55.3Low47.3Very low125 Ų125138 Ų13877%0.76780%0.804SS**  trans-74.7100.1158.438.30000108S198S198-T200 PolarHBondContact O-N 3.38Å
201F46.2Very low47.3Very low209 Ų209142.6 Ų142.692%0.91781%0.808SS**  trans-65.2128.5156.7-153.7-101.9000106.5F199F199-F201 PolarHBondContact O-N 3.33Å
202F45.5Very low47.3Very low175 Ų175141.5 Ų141.577%0.76880%0.803SS**  trans69.790176.8-167.5-96.7000116.5
203N39.6Very low47.8Very low139 Ų139145.1 Ų145.174%0.74381%0.806SS**  -160.5139.2121.7-118.9-81.3000111.3
204S46.6Very low47.8Very low102 Ų102149.4 Ų149.471%0.71381%0.814SS**  trans-70.1154.9-171.7-175.70000111.6S206S204-S206 PolarHBondContact O-N 3.16Å
205M51.9Low47.4Very low173 Ų173145.4 Ų145.485%0.85280%0.801SS**  trans-46.9129.6166.1-55.6-171104.800110.9
206S46.9Very low47.2Very low121 Ų121144.6 Ų144.685%0.84680%0.8SS**  trans-125.3124.4147.9-68.10000105.2S204S204-S206 PolarHBondContact O-N 3.16Å
207P49.1Very low47.5Very low110 Ų110144.1 Ų144.171%0.71480%0.799SS**  trans-135.2147.1140.933.6-20.9000112.1
208L43.7Very low47.3Very low166 Ų166139.9 Ų139.987%0.86979%0.794SS**  trans111.479.5142.3-139.272.3000115.3
209S46.1Very low47.6Very low119 Ų119139.9 Ų139.983%0.83279%0.794SS**  trans-67.4126.2145.7-49.20000108.8Q211S209-Q211 PolarHBondContact O-N 2.92Å
210S42.8Very low47.5Very low113 Ų113137.2 Ų137.279%0.7979%0.788SS**  trans-58.8122.7171.8-47.60000111.4
211Q49Very low47.1Very low193 Ų193136.6 Ų136.690%0.90279%0.788SS**  trans-140.9130.6147.1-74.5-160.518.100110S209S209-Q211 PolarHBondContact O-N 2.92Å
212S46Very low47Very low101 Ų101130.9 Ų130.971%0.70678%0.775SS**  trans-69.9148.3178.952.60000112.7
213M56.1Low47.3Very low174 Ų174131 Ų13186%0.85778%0.78SS**  147.9110122-73.4-151.9-80.900112.1
214F47.1Very low47.9Very low198 Ų198131.1 Ų131.187%0.86879%0.786SS**  62.6117.4128.6-154-114.9000121.4
215S40.3Very low48.3Very low89 Ų89135.1 Ų135.162%0.62280%0.795SS**  trans95.6120.8139.4-70.40000122.7
216A40.6Very low48.7Very low90 Ų90133.2 Ų133.274%0.74480%0.796SS**  trans-72.1-174.7163.100000110.5
217P52.5Low48.6Very low115 Ų115133.3 Ų133.375%0.74780%0.797SS**  cis-152.1176.633.840.4-15.3000119.3
218S50.7Low48.8Very low105 Ų105133.1 Ų133.173%0.73480%0.798SS**  trans-12.7151.8159.950.90000124
219S50.3Low49.4Very low105 Ų105134.2 Ų134.273%0.73480%0.801SS**  trans-176.2111.5141.9-79.70000111.1
220I51.6Low49.7Very low160 Ų160132.1 Ų132.182%0.82180%0.797SS**  54.7135.1103.973.9163.4000114.7
221S47.1Very low50.1Low111 Ų111133.5 Ų133.578%0.77680%0.804SS**  cis-167.9165.348-78.30000113.2
222S43.7Very low50.2Low90 Ų90127.6 Ų127.663%0.62980%0.795SS**  trans-107.3135.8-167.941.10000113.7
223M51Low50.4Low178 Ų178127.4 Ų127.488%0.87780%0.8SS**  trans38.5135.8138.535.7-160.7117.300122.9
224T53.8Low50.5Low141 Ų141125.8 Ų125.887%0.86580%0.799SS**  trans-157.4136.8143.556.50000111.7
225M55.2Low50.6Low186 Ų186122.8 Ų122.892%0.91680%0.8SS**  trans-121.1158.2161.8-70.8-84.7-173.200107.9
226P59.8Low51.2Low133 Ų133122.1 Ų122.186%0.86481%0.807SS**  trans-141.6156.4139.632.7-15.5000115.1
227S43.9Very low52.3Low123 Ų123126.9 Ų126.986%0.8682%0.816SS**  trans-97.7155-175.5-46.80000113.5
228S52.8Low52.6Low105 Ų105127 Ų12773%0.73482%0.817SS**  trans-159116.914870.80000109.5
229M56.8Low52.7Low190 Ų190129.8 Ų129.894%0.93682%0.823SS**  56.8124.398.6-54-98.4111.500112.5
230G53.6Low52.5Low74 Ų74130.2 Ų130.276%0.76383%0.827SS**  cis-175.2179.55.900000109.6
231P49.6Very low52.5Low142 Ų142126 Ų12692%0.92282%0.822SS**  trans-114.2160.7-17138.2-26.9000115.8
232G51.2Low52.8Low70 Ų70127.9 Ų127.972%0.72282%0.823SS**  trans-148.3119.4166.200000110.6
233A50.6Low53.2Low97 Ų97130.2 Ų130.280%0.80283%0.828SS**  63.1119.6100.900000112.7
234V58.4Low52.8Low140 Ų140129.1 Ų129.185%0.84883%0.826SS**  -171.3158.850.5-76.80000111.3
235P48.6Very low52.5Low135 Ų135128.4 Ų128.488%0.87782%0.816SS**  trans-115.9164.9177.137.6-25.3000115.5
236G53Low52.1Low75 Ų75127 Ų12777%0.77381%0.812SS**  trans-143.999.9178.600000116.2
237M63.3Low51.1Low189 Ų189128.4 Ų128.493%0.93181%0.812SS**  trans42.1153.8141.3-74.9166.473.500126.5
238P59.8Low51.2Low118 Ų118129.1 Ų129.177%0.76681%0.805SS**  trans-118.7177.4-158.841-24.6000115.2
239N52.7Low50.8Low163 Ų163130 Ų13087%0.87281%0.806SS**  trans-137.9139.4163.1-159.229.3000112.7
240S45.3Very low50Low115 Ų115124.1 Ų124.180%0.80480%0.795SS**  trans-84.1157-168.9-55.70000113.7
241G52.2Low49.5Very low71 Ų71126 Ų12673%0.73280%0.797SS**  trans172.571.3168.500000117.9
242L53Low49.2Very low150 Ų150124.2 Ų124.279%0.78579%0.788SS**  trans62.2119.3139.4-56.6-178.4000122
243N52.2Low48.8Very low140 Ų140129 Ų12975%0.74980%0.796SS**  trans66.7112.1132-55.2-24.9000119.2
244N43.4Very low48.5Very low154 Ų154131.3 Ų131.382%0.82480%0.795SS**  178.1141.789.9-160.44.8000110.9
245I47.4Very low47.8Very low126 Ų126128.5 Ų128.565%0.64678%0.781SS**  trans-100.9129.4-165.9-68.4149.7000109L248I245-L248 HydrophobicContact CG2-CD1 4.18Å
246N46Very low47.3Very low156 Ų156127.2 Ų127.283%0.83478%0.782SS**  trans-168.378.7153.1-95.5-25.5000109.8
247N40.4Very low47.2Very low164 Ų164130.6 Ų130.688%0.87778%0.779SS**  trans-177103.7152-111.4-35.2000108.8
248L44.9Very low46.3Very low137 Ų137127.7 Ų127.772%0.71778%0.777SS**  trans-136.2102.7175-80.7155.4000105.8I245I245-L248 HydrophobicContact CG2-CD1 4.18Å
249T43.5Very low45.6Very low123 Ų123127.7 Ų127.776%0.75578%0.777SS**  68.9105.792.356.80000113.3
250G40.5Very low45.3Very low68 Ų68122.8 Ų122.870%0.70177%0.766SS**  trans-122.698.1153.500000108.8
251S43.9Very low45.1Very low114 Ų114122.4 Ų122.480%0.79777%0.769SS**  trans51.6121.1133-37.20000117.7
252S42.7Very low44.4Very low104 Ų104124.4 Ų124.473%0.72777%0.771SS**  cis-164.2130.136.2-64.70000109.9
253L43Very low44.2Very low171 Ų171122 Ų12290%0.89576%0.764SS**  trans-72.4129.9156.5-66.8161.8000107.7
254N45.3Very low43.9Very low145 Ų145126 Ų12678%0.77577%0.77SS**  trans-137.899153.5-87-45.5000108.3
255S42.4Very low43.8Very low81 Ų81122.5 Ų122.557%0.56677%0.77SS**  trans55.9101.8130.4-52.60000118.2M257S255-M257 WeakPolarHBondContact O-CE 3.15Å; S255-M257 PolarHBondContact O-N 3.42Å
256A39.4Very low44Very low107 Ų107123 Ų12388%0.88478%0.779SS**  trans-52.912614800000111
257M50.1Low44.2Very low147 Ų147121.7 Ų121.772%0.72478%0.779SS**  trans-152.698.6150.130.4-99166.100107.7S255 P259S255-M257 WeakPolarHBondContact O-CE 3.15Å; S255-M257 PolarHBondContact O-N 3.42Å; M257-P259 WeakPolarHBondContact O-CD 3.22Å
258S43.7Very low44.7Very low128 Ų128118.4 Ų118.490%0.89578%0.775SS**  trans-67.4133149.5-61.50000107.5
259P46.2Very low44.7Very low117 Ų117116.3 Ų116.376%0.7677%0.771SS**  trans-127.7138.6138.934.5-24.3000110.4M257M257-P259 WeakPolarHBondContact O-CD 3.22Å
260G45.4Very low45.3Very low61 Ų61116.1 Ų116.163%0.62977%0.773SS**  trans55109.5135.400000117.9C262G260-C262 PolarHBondContact O-N 2.98Å; G260-C262 VanDerWaalsContact O-N 3.11Å; G260-C262 PolarHBondContact O-SG 3.25Å
261A40.9Very low45.6Very low106 Ų106122.6 Ų122.688%0.87678%0.777SS**  trans-42118.3151.700000110.9
262C38.8Very low46.2Very low113 Ų113121.6 Ų121.676%0.76477%0.77SS**  trans-115.6115.5163.9-54.10000106.4G260G260-C262 PolarHBondContact O-N 2.98Å; G260-C262 VanDerWaalsContact O-N 3.11Å; G260-C262 PolarHBondContact O-SG 3.25Å
263P47.6Very low46.5Very low99 Ų99122.7 Ų122.764%0.64377%0.772SS**  trans-74.3157.3162.832.5-28.1000108.4
264Y46.6Very low46.5Very low226 Ų226122.8 Ų122.889%0.88676%0.762SS**  trans76.3102.1-172.8-47.7-80.9000112.7
265G40.1Very low46.5Very low79 Ų79126.2 Ų126.281%0.81476%0.764SS**  97.692.954.600000109.1
266T51.5Low46.8Very low138 Ų138126 Ų12685%0.84776%0.756SS**  trans-124.8138.6162.756.10000110
267P50.8Low47.7Very low128 Ų128123.7 Ų123.783%0.83173%0.731SS**PPolyproline II helixtrans-78.4143.8-157.129.5-35.7000114S269P267-S269 PolarHBondContact O-N 3.45Å
268A50.5Low48.2Very low95 Ų95120 Ų12079%0.78572%0.719SS**PPolyproline II helixtrans-56.2129.1171.600000111.7P270A268-P270 WeakPolarHBondContact O-CD 3.16Å
269S46.7Very low49.1Very low92 Ų92118.2 Ų118.264%0.64370%0.7SS**PPolyproline II helixtrans-66.8120.4165.1-177.60000109.4P267 Y271P267-S269 PolarHBondContact O-N 3.45Å; S269-Y271 PolarHBondContact O-N 3.38Å; S269-Y271 VanDerWaalsContact O-N 3.13Å
270P56Low50.3Low120 Ų120116.7 Ų116.778%0.77969%0.692SS**THydrogen-bonded Turntrans-7912.4-171.930.4-33.2000114.9A268A268-P270 WeakPolarHBondContact O-CD 3.16Å
271Y46.4Very low51.7Low203 Ų203115.9 Ų115.980%0.79668%0.677SS**THydrogen-bonded Turntrans-115.96.2-178.4-91.6-86.8000115.7S269 V273S269-Y271 PolarHBondContact O-N 3.38Å; S269-Y271 VanDerWaalsContact O-N 3.13Å; Y271-V273 PolarHBondContact O-N 3.42Å
272S55.2Low53.5Low93 Ų93116 Ų11665%0.6566%0.662SS**  trans-75.879.6164.1-175.80000108.8Y274S272-Y274 PolarHBondContact O-N 3Å
273V49.1Very low55.5Low127 Ų127113.7 Ų113.777%0.7765%0.651SS**  trans-65.789.9160.2-178.90000105.2Y271 R275Y271-V273 PolarHBondContact O-N 3.42Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 2.87Å
274Y43.7Very low57.1Low174 Ų174110.6 Ų110.668%0.68263%0.631SS**  trans-37.598.9171.3-126.9-82.4000108.2S272 D276S272-Y274 PolarHBondContact O-N 3Å; Y274-D276 HydrophobicContact CD1-CB 4.04Å; Y274-D276 WeakPolarHBondContact CD1-OD1 3.48Å; Y274-D276 WeakPolarHBondContact CD1-OD2 3.47Å; Y274-D276 VanDerWaalsContact CE1-CG 3.49Å; Y274-D276 WeakPolarHBondContact CE1-OD1 3.24Å; Y274-D276 PolarHBondContact O-N 2.86Å
275R46.3Very low58.8Low217 Ų217104.6 Ų104.682%0.81961%0.614SS**  trans-6673.5151.6-85.3-85.4-177.9140.5-1.3105.2V273 T277V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 2.87Å; R275-T277 PolarHBondContact O-N 3.44Å
276D47.5Very low61Low76 Ų76108.6 Ų108.641%0.40661%0.605SS.*  trans-66.883.6163.4-89.9-56000106.5Y274 C278 N279Y274-D276 HydrophobicContact CD1-CB 4.04Å; Y274-D276 WeakPolarHBondContact CD1-OD1 3.48Å; Y274-D276 WeakPolarHBondContact CD1-OD2 3.47Å; Y274-D276 VanDerWaalsContact CE1-CG 3.49Å; Y274-D276 WeakPolarHBondContact CE1-OD1 3.24Å; Y274-D276 PolarHBondContact O-N 2.86Å; D276-C278 PolarHBondContact O-N 3.26Å; D276-N279 HydrophobicContact CB-CB 4.1Å; D276-N279 WeakPolarHBondContact O-CB 3.49Å; D276-N279 PolarHBondContact O-N 2.82Å
277T59.4Low62.4Low58 Ų58107.8 Ų107.836%0.35660%0.595SS.*THydrogen-bonded Turntrans-57.8-14.8165.9-46.40000110.6C156 R275C156-T277 HydrophobicContact CB-CG2 3.74Å; C156-T277 WeakPolarHBondContact SG-CB 3.32Å; C156-T277 WeakPolarHBondContact SG-CG2 3.47Å; R275-T277 PolarHBondContact O-N 3.44Å
278C59.9Low63.7Low69 Ų69107.1 Ų107.147%0.46658%0.579SS.*THydrogen-bonded Turntrans-77.6-16.4173.1-56.50000114.9D276 S280 S281 S284D276-C278 PolarHBondContact O-N 3.26Å; C278-S280 PolarHBondContact O-N 3.19Å; C278-S281 WeakPolarHBondContact O-CB 3.28Å; C278-S281 PolarHBondContact O-N 2.63Å; C278-S284 VanDerWaalsContact O-CB 3.23Å; C278-S284 WeakPolarHBondContact O-CB 3.43Å; C278-S284 PolarHBondContact O-OG 3.23Å
279N62.7Low65Low92 Ų92106.3 Ų106.349%0.49257%0.568SS.*THydrogen-bonded Turntrans-64-28.5-177.3-170.75.1000112.2D276 S281D276-N279 HydrophobicContact CB-CB 4.1Å; D276-N279 WeakPolarHBondContact O-CB 3.49Å; D276-N279 PolarHBondContact O-N 2.82Å; N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 PolarHBondContact O-N 3.17Å
280S70.2Confident66.5Low85 Ų85110 Ų11059%0.59457%0.572SS**THydrogen-bonded Turntrans-83.7-1.7175.21050000114C278 L285C278-S280 PolarHBondContact O-N 3.19Å; S280-L285 WeakPolarHBondContact O-CD1 3.23Å
281S76.7Confident67.1Low44 Ų44111.5 Ų111.531%0.30857%0.569SS.*SBendtrans-67138.8178.4-176.70000109.9C278 N279 A283 S284 L285C278-S281 WeakPolarHBondContact O-CB 3.28Å; C278-S281 PolarHBondContact O-N 2.63Å; N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 PolarHBondContact O-N 3.17Å; S281-A283 PolarHBondContact O-N 3.06Å; S281-A283 VanDerWaalsContact O-N 3.11Å; S281-S284 WeakPolarHBondContact O-CA 3.34Å; S281-S284 WeakPolarHBondContact O-CB 3.3Å; S281-S284 PolarHBondContact O-N 3.01Å; S281-L285 PolarHBondContact O-N 3.34Å
282L77.1Confident67.8Low107 Ų107107.2 Ų107.256%0.5656%0.555SS**Hα-helixtrans-53.3-33176.6-167.592.6000111.7R286L282-R286 WeakPolarHBondContact O-CB 3.43Å; L282-R286 VanDerWaalsContact O-CG 3.27Å; L282-R286 WeakPolarHBondContact O-CG 3.25Å; L282-R286 PolarHBondContact O-N 3.31Å
283A81.6Confident68.1Low65 Ų65108.2 Ų108.254%0.53756%0.562SS.*Hα-helixtrans-64.8-48.117400000111.5S281 R286 L287S281-A283 PolarHBondContact O-N 3.06Å; S281-A283 VanDerWaalsContact O-N 3.11Å; A283-R286 PolarHBondContact O-N 2.93Å; A283-L287 WeakPolarHBondContact O-CB 3.29Å; A283-L287 PolarHBondContact O-N 2.82Å
284S80.9Confident68.7Low34 Ų34107.2 Ų107.224%0.23856%0.561CS.*Hα-helixtrans-64-42.8177.2-49.90000112.2C278 S281 R286 L287 K288C278-S284 VanDerWaalsContact O-CB 3.23Å; C278-S284 WeakPolarHBondContact O-CB 3.43Å; C278-S284 PolarHBondContact O-OG 3.23Å; S281-S284 WeakPolarHBondContact O-CA 3.34Å; S281-S284 WeakPolarHBondContact O-CB 3.3Å; S281-S284 PolarHBondContact O-N 3.01Å; S284-R286 VanDerWaalsContact C-N 3.33Å; S284-R286 PolarHBondContact O-N 3.1Å; S284-L287 PolarHBondContact O-N 3.48Å; S284-K288 WeakPolarHBondContact O-CB 3.36Å; S284-K288 PolarHBondContact O-N 3.27Å
285L82.7Confident69.4Low101 Ų101106.7 Ų106.753%0.52956%0.563SS.*Hα-helixtrans-58.8-43.9173.8-79.8143.2000111.4S280 S281 S289S280-L285 WeakPolarHBondContact O-CD1 3.23Å; S281-L285 PolarHBondContact O-N 3.34Å; L285-S289 WeakPolarHBondContact O-CB 3.45Å; L285-S289 PolarHBondContact O-N 3.3Å; L285-S289 PolarHBondContact O-OG 2.96Å
286R86.1Confident69.3Low162 Ų16299.8 Ų99.861%0.61156%0.559SS**Hα-helixtrans-69.1-38.6177-78.2-178.4175.9137.15.3113.3L282 A283 S284 S289 K290L282-R286 WeakPolarHBondContact O-CB 3.43Å; L282-R286 VanDerWaalsContact O-CG 3.27Å; L282-R286 WeakPolarHBondContact O-CG 3.25Å; L282-R286 PolarHBondContact O-N 3.31Å; A283-R286 PolarHBondContact O-N 2.93Å; S284-R286 VanDerWaalsContact C-N 3.33Å; S284-R286 PolarHBondContact O-N 3.1Å; R286-S289 WeakPolarHBondContact CA-OG 3.49Å; R286-S289 PolarHBondContact O-OG 2.9Å; R286-K290 PolarHBondContact O-N 3.49Å; R286-K290 VanDerWaalsContact O-N 3.14Å
287L80.6Confident69.3Low122 Ų122106.8 Ų106.864%0.63958%0.581SS**Hα-helixtrans-65.6-45.8176.9-154.174.9000110A283 S284 K290 Q291A283-L287 WeakPolarHBondContact O-CB 3.29Å; A283-L287 PolarHBondContact O-N 2.82Å; S284-L287 PolarHBondContact O-N 3.48Å; L287-K290 PolarHBondContact O-N 3.01Å; L287-K290 VanDerWaalsContact O-N 3.13Å; L287-Q291 PolarHBondContact O-N 3.28Å
288K79Confident68.5Low113 Ų113107.6 Ų107.649%0.49160%0.602SS.*Hα-helixtrans-64.3-43177.3-170156.6174.9162.70112S284 K290 Q291 H292S284-K288 WeakPolarHBondContact O-CB 3.36Å; S284-K288 PolarHBondContact O-N 3.27Å; K288-K290 PolarHBondContact O-N 3.03Å; K288-Q291 PolarHBondContact O-N 3.39Å; K288-Q291 VanDerWaalsContact O-N 3.08Å; K288-H292 PolarHBondContact O-CD2 3.02Å; K288-H292 PolarHBondContact O-N 3.35Å
289S76.6Confident67.5Low79 Ų79107.7 Ų107.755%0.55261%0.614SS**Hα-helixtrans-61.1-30.6174.160.70000112.8L285 R286L285-S289 WeakPolarHBondContact O-CB 3.45Å; L285-S289 PolarHBondContact O-N 3.3Å; L285-S289 PolarHBondContact O-OG 2.96Å; R286-S289 WeakPolarHBondContact CA-OG 3.49Å; R286-S289 PolarHBondContact O-OG 2.9Å
290K78.3Confident66.9Low169 Ų169112.1 Ų112.174%0.73564%0.637SS**Hα-helixtrans-74.9-24.7176.9-159.1146.579.6-179.40112.9R286 L287 K288R286-K290 PolarHBondContact O-N 3.49Å; R286-K290 VanDerWaalsContact O-N 3.14Å; L287-K290 PolarHBondContact O-N 3.01Å; L287-K290 VanDerWaalsContact O-N 3.13Å; K288-K290 PolarHBondContact O-N 3.03Å
291Q68.3Low65.7Low152 Ų152117.8 Ų117.871%0.7165%0.654SS**Hα-helixtrans-77.7-26.2175-66.9-158.2-39.300113.8L287 K288 S293L287-Q291 PolarHBondContact O-N 3.28Å; K288-Q291 PolarHBondContact O-N 3.39Å; K288-Q291 VanDerWaalsContact O-N 3.08Å; Q291-S293 PolarHBondContact O-N 3.17Å; Q291-S293 VanDerWaalsContact O-N 3.16Å
292H61.7Low63.8Low112 Ų112119 Ų11952%0.51967%0.673SS.*G310 helixtrans-71.6-3.5178.4-76.5-80000114.8K288 S294 F295K288-H292 PolarHBondContact O-CD2 3.02Å; K288-H292 PolarHBondContact O-N 3.35Å; H292-S294 VanDerWaalsContact C-N 3.26Å; H292-S294 PolarHBondContact O-N 2.83Å; H292-F295 AromaticContact ND1-CE2 3.94Å
293S62Low62.2Low114 Ų114120 Ų12080%0.79769%0.687SS**G310 helixtrans-75.4-8.1176.2-1650000114.2Q291Q291-S293 PolarHBondContact O-N 3.17Å; Q291-S293 VanDerWaalsContact O-N 3.16Å
294S61.2Low60.7Low107 Ų107121.2 Ų121.275%0.74870%0.696SS**G310 helixtrans-106.616.1-171.1-164.30000115.3H292 G296H292-S294 VanDerWaalsContact C-N 3.26Å; H292-S294 PolarHBondContact O-N 2.83Å; S294-G296 VanDerWaalsContact C-N 3.26Å; S294-G296 PolarHBondContact O-N 2.9Å
295F57.7Low59.3Low162 Ų162125.1 Ų125.171%0.71172%0.723SS**  trans-74.985.4169.4-82-82.8000109.7H292 Y297H292-F295 AromaticContact ND1-CE2 3.94Å; F295-Y297 PolarHBondContact O-N 3.5Å
296G44Very low57.6Low72 Ų72123.9 Ų123.974%0.74274%0.735SS**  trans-67.4115.2167.500000109.6S294 G298S294-G296 VanDerWaalsContact C-N 3.26Å; S294-G296 PolarHBondContact O-N 2.9Å; G296-G298 PolarHBondContact O-N 3.21Å
297Y48.3Very low56.3Low223 Ų223124.2 Ų124.288%0.87575%0.748SS**  trans-72.3110.1160-81.2-91000107.2F295F295-Y297 PolarHBondContact O-N 3.5Å
298G43Very low54.8Low76 Ų76126.1 Ų126.178%0.78476%0.759SS**  trans-56.6137.8170.700000110.6G296G296-G298 PolarHBondContact O-N 3.21Å
299G39.4Very low53.5Low71 Ų71125.7 Ų125.773%0.73278%0.776SS**  trans-67.4139.3-172.100000113.8
300L48.7Very low52.6Low184 Ų184127.4 Ų127.496%0.96379%0.787SS**  trans-132.1132.2143.9-73.6178.5000108
301Q44.6Very low51.5Low204 Ų204128.2 Ų128.295%0.95379%0.793SS**  trans-85.2133.2-166.4-175.2171.926.200110.4
302G38.8Very low50.6Low69 Ų69132.6 Ų132.671%0.71181%0.805SS**  trans172.5113.1172.200000111.7
303P43.1Very low50.2Low130 Ų130133.9 Ų133.984%0.84482%0.816SS**  trans-95133.4-168.435.3-29.1000111.1
304A48.8Very low49.9Very low89 Ų89137 Ų13774%0.73684%0.838SS**  trans178.9126.5144.600000110.6
305S51.5Low49.3Very low116 Ų116138.6 Ų138.681%0.81184%0.843SS**  trans72.184.6146.7-460000117.2
306G47.5Very low48.8Very low75 Ų75137.3 Ų137.377%0.77385%0.85SS**  trans-68.2133.2159.500000111.4
307L58.2Low49.1Very low169 Ų169140.9 Ų140.989%0.88586%0.856SS**  trans-129.7114.5159.4-69.5176.9000107.7A309L307-A309 PolarHBondContact O-N 3.39Å
308N48.9Very low49.2Very low163 Ų163136.1 Ų136.187%0.87286%0.855SS**  trans-63.8126.7176.7-83.9-78.6000110.1C310N308-C310 VanDerWaalsContact C-N 3.3Å; N308-C310 PolarHBondContact O-N 3.46Å
309A51.9Low49.5Very low103 Ų103139.9 Ų139.985%0.85186%0.859SS**SBendtrans-79.872.5174.400000110.9L307L307-A309 PolarHBondContact O-N 3.39Å
310C58.6Low50.2Low115 Ų115144.5 Ų144.578%0.77787%0.867SS**  trans-152.266.7170.8-81.50000110.1N308N308-C310 VanDerWaalsContact C-N 3.3Å; N308-C310 PolarHBondContact O-N 3.46Å
311Q54.5Low50.3Low186 Ų186141.6 Ų141.687%0.86986%0.861SS**  trans-172.4105.6161.4-111.5172.714.200108.9
312Y50.8Low50.8Low244 Ų244136.8 Ų136.896%0.95785%0.853SS**  trans-155.497.8132.7-115.7-81.5000106.6
313N52.4Low51.8Low139 Ų139142.5 Ų142.574%0.74387%0.865SS**  trans-94.9162.6167.6-177.162.7000107.2
314S54.9Low52.5Low181 Ų181143.6 Ų143.6100%1.26687%0.867SS**  trans89.40169.5-56.10000116.4

Retrieved 314 of 314 residues in 224 ms (Link to these results)