A0A5K4FAA6_SCHMA Loading...

CUGBP Elav-like family member 2

AlphaFold DB , UniProt , Accession A0A5K4FAA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 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
1M45Very low43.9Very low223 Ų223158.9 Ų158.9100%1.09982%0.816SS**  0124.10-179.2172-177.800106.3
2M39Very low44Very low155 Ų155157.2 Ų157.276%0.76482%0.819SS**  trans63.7118.2-174.4-70.7164.9175.400113.6
3M38.3Very low43.7Very low163 Ų163157.1 Ų157.180%0.80381%0.812SS**  78.7115.871.2-73.1162.5166.200111.2
4T44.6Very low43.8Very low114 Ų114156.6 Ų156.670%0.69980%0.804SS**  91.7111.356.5-67.80000111.4
5M41.4Very low44.4Very low163 Ų163155.8 Ų155.880%0.80379%0.794SS**  trans40.6104.2156.6-59.8-171.6-6300119.1
6M43.6Very low44.2Very low185 Ų185155.2 Ų155.291%0.91179%0.794SS**  trans-117.7124.4132.9-70.6173166.700105.3
7L44.1Very low44.1Very low145 Ų145150.5 Ų150.576%0.75979%0.792SS**  61106.657.4-63.5170.4000112
8D48.4Very low44.1Very low156 Ų156151.6 Ų151.683%0.83480%0.798SS**  -150.6155.3120.2-137.5-37.3000111.1
9H47.1Very low44.1Very low159 Ų159152.3 Ų152.374%0.73680%0.803SS**  trans-128.2135177.7-90-95.5000109
10H51.9Low44.7Very low180 Ų180150.2 Ų150.283%0.83380%0.798SS**  trans-145.5129.1156.7-120.870000112.9
11S39.6Very low44.5Very low105 Ų105152.7 Ų152.773%0.73480%0.802SS**  trans-104.3139.3170.7-55.50000109.1
12T44.7Very low44.5Very low138 Ų138146.6 Ų146.685%0.84778%0.781SS**  trans-142.6135.9156-47.40000108.4
13E39.8Very low44.7Very low156 Ų156146.7 Ų146.773%0.72979%0.785SS**  trans-106.2-170.3-172.5-62-177.681.800112.7
14H46.3Very low45.3Very low151 Ų151145.5 Ų145.570%0.69979%0.787SS**  trans80.2143.2168.1-56-83.2000117.1
15H52Low45Very low144 Ų144147.1 Ų147.167%0.66779%0.791SS**  cis-154.5150.60.7-128.2-53.5000113.3
16N42Very low45.1Very low146 Ų146147.2 Ų147.278%0.78179%0.793SS**  trans71.6137154.9-63.1-22.2000120.5
17G41.9Very low44.9Very low75 Ų75141.2 Ų141.277%0.77378%0.779SS**  trans-173.7-33.6177.500000116.1
18L44.9Very low44.5Very low171 Ų171142.3 Ų142.390%0.89578%0.784SS**  trans60.895.5172.9-65.4173.6000118.2
19D43Very low44.2Very low165 Ų165141.6 Ų141.688%0.88279%0.785SS**  trans-117.4148154-99-49.5000109.6
20P56.6Low43.6Very low109 Ų109141.1 Ų141.171%0.70879%0.788SS**  trans-137.1109.3167.136.5-18.8000115.5
21K40.5Very low42.9Very low204 Ų204138.2 Ų138.289%0.88779%0.788SS**  trans67.9151.2136.1-71.1172.7178.8171.50119
22S45.3Very low42.7Very low95 Ų95140.6 Ų140.666%0.66479%0.792SS**  cis-165.2154.2-8.9410000110.7
23D42.4Very low42.5Very low157 Ų157141.6 Ų141.684%0.8479%0.789SS**  trans-55.6156164.6-56.9-96.7000113.3
24T52.1Low42.5Very low137 Ų137141 Ų14184%0.8479%0.79SS**  trans-149.1104.9156.7-64.50000108.5
25D38.6Very low41.9Very low149 Ų149138.5 Ų138.580%0.79779%0.789SS**  trans-80.7-173.5164.9-156.1-30.6000109.3
26I42.5Very low41Very low165 Ų165138.9 Ų138.985%0.84679%0.791SS**  trans76.9139-176.1-49.4163.5000111.9
27G39.2Very low40.7Very low59 Ų59136 Ų13661%0.60878%0.782SS**  cis158.3155.4-3.900000111.5
28I36Very low40.6Very low168 Ų168144.4 Ų144.486%0.86279%0.79SS**  trans-67127.6-167-59.3160.3000113.3
29V42.4Very low40.2Very low141 Ų141147.4 Ų147.486%0.85579%0.79SS**  trans-154.9142.6147-110.30000112.7
30N33.9Very low40.1Very low149 Ų149145 Ų14580%0.79778%0.783SS**  trans-91.3152167.5-73.6-60.9000110.7
31S38.2Very low39.2Very low119 Ų119145.6 Ų145.683%0.83279%0.79SS**  172.5147.8118.5-77.90000115.2
32N35.7Very low39.2Very low154 Ų154141.1 Ų141.182%0.82478%0.784SS**  trans-42.5154.2173.9-52-33000117.2
33M39.6Very low39Very low160 Ų160143.9 Ų143.979%0.78879%0.792SS**  -177139.8113.8-91.2-90.3-84.900113.3
34L40.3Very low39.2Very low143 Ų143144.3 Ų144.375%0.74979%0.792SS**  trans18.6152.4145.7-61177.5000122.2
35C33.4Very low38.7Very low99 Ų99142.5 Ų142.567%0.66978%0.782SS**  cis-177166.6-19.6-158.10000109.5
36E33.1Very low38.9Very low151 Ų151145 Ų14571%0.70679%0.786SS**  trans5991.4148.8-12143.9-139.600123.8
37S34.6Very low38.9Very low85 Ų85142.9 Ų142.959%0.59478%0.781SS**  50102.2116.6-54.40000121.3
38R39.5Very low38.8Very low252 Ų252147.6 Ų147.695%0.95179%0.792SS**  trans-161.3137.7131.9-124.8162.8-83.5-130.31.1115.4
39R37.1Very low39Very low235 Ų235142.9 Ų142.989%0.88779%0.785SS**  trans-89.4-180164-69.4-172.7-178.1-171.62.2109.7
40P40.4Very low39Very low115 Ų115143.3 Ų143.375%0.74778%0.783SS**  -128.9176.4-52.637.5-23.6000111.1
41S39.1Very low39.4Very low120 Ų120144.3 Ų144.384%0.83978%0.78SS**  trans-173.5134.5146.1-107.30000111.8
42S40.6Very low39.7Very low110 Ų110143.9 Ų143.977%0.76977%0.772SS**  trans-94.5138.9163.347.90000109.7
43N39.9Very low40.2Very low154 Ų154143.6 Ų143.682%0.82477%0.766SS**  trans-154.1117.6166.2-121-99.3000109.5
44I46.2Very low40Very low165 Ų165141.5 Ų141.585%0.84676%0.758SS**  trans-125.3128.8169-62.9178.5000105.8
45P43.4Very low40Very low99 Ų99138.7 Ų138.764%0.64375%0.747SS**  trans-94.7131.5-162.233.8-34.7000115.1
46K41.2Very low40.3Very low201 Ų201143.5 Ų143.587%0.87475%0.752SS**  trans68.6158.2154.7-52.8169.7-178.7177.90114.6
47V42.7Very low40.7Very low122 Ų122144 Ų14474%0.73975%0.754SS**  cis-132.2159.414.3-177.50000110.5
48N38.3Very low40.9Very low158 Ų158145 Ų14585%0.84576%0.761SS**  trans-33.3152.1163-25.7-14.1000113.3
49G40.4Very low40.7Very low69 Ų69138.1 Ų138.171%0.71175%0.752SS**  cis154.8173.59.500000107.9
50D41.5Very low41.1Very low150 Ų150133.2 Ų133.280%0.80275%0.75SS**  cis-167.6-176.1-8-146-53.1000109.6
51F42.6Very low41Very low170 Ų170133.1 Ų133.175%0.74675%0.748SS**  trans65.5104.4159.5-104.9-112.1000123
52T45Very low40.8Very low109 Ų109137.2 Ų137.267%0.66975%0.746SS**  59.1163.4128.470.80000121.4
53H45.9Very low40.6Very low149 Ų149136.7 Ų136.769%0.6974%0.738SS**  cis-158.3157.7-2.3-142.5-150000110.8
54N35.7Very low40.5Very low115 Ų115138.8 Ų138.862%0.61574%0.736SS**  trans41.3163.7141.4-73.918.9000124.3
55T39.3Very low40.5Very low84 Ų84136.3 Ų136.352%0.51573%0.731SS.*  cis-174.9173.1-27.5-76.90000106.8
56Y39.8Very low40.2Very low201 Ų201138.8 Ų138.879%0.78874%0.737SS**  trans81.7148165.1-57.1-72.5000117
57H41.7Very low40.1Very low160 Ų160136.3 Ų136.374%0.74173%0.734SS**  cis-170.7172.8-30.4-151.5-108.5000109.2
58S38.4Very low40Very low106 Ų106140.8 Ų140.874%0.74174%0.737SS**  trans91.1114.1158.1-50.60000119
59S35.5Very low40.4Very low108 Ų108141.9 Ų141.976%0.75574%0.737SS**  trans-78.2178.8161.7-42.10000111.4
60P45Very low40.4Very low132 Ų132144.2 Ų144.286%0.85774%0.742SS**  -138.6164.398.138.4-27.2000115.6
61T38.6Very low40.4Very low113 Ų113141.4 Ų141.469%0.69374%0.74SS**  trans-81.7152.8-177.8-57.40000113V63T61-V63 HydrophobicContact CG2-CG2 3.71Å
62Y35.8Very low40.5Very low206 Ų206139.7 Ų139.781%0.80875%0.746SS**  trans-131.8148.6147.4-142.4-97.8000110.8Y64Y62-Y64 HydrophobicContact CE1-CD2 4.23Å; Y62-Y64 HydrophobicContact CE1-CE2 4.43Å
63V35.7Very low40.3Very low100 Ų100138.8 Ų138.861%0.60675%0.75SS**  trans-141.1144.4-171.4158.60000108.2T61T61-V63 HydrophobicContact CG2-CG2 3.71Å
64Y37.5Very low40.3Very low197 Ų197137.2 Ų137.277%0.77376%0.755SS**  trans174.8159.2144.7-84-51.8000109.5Y62Y62-Y64 HydrophobicContact CE1-CD2 4.23Å; Y62-Y64 HydrophobicContact CE1-CE2 4.43Å
65P46.1Very low40.8Very low114 Ų114137.9 Ų137.974%0.7476%0.763SS**  cis-123.4166.8-35.835.8-21.8000112.1
66I36.8Very low40.8Very low151 Ų151141.6 Ų141.677%0.77478%0.78SS**  trans-91.9139.2164.4-69.5173.4000108.1R68I66-R68 HydrophobicContact CG2-CG 4.09Å
67D40.3Very low40.9Very low149 Ų149141.2 Ų141.280%0.79778%0.783SS**  trans-128.3152.8155.6-142.1-40.3000111.2
68R40Very low41.1Very low215 Ų215139.1 Ų139.181%0.81179%0.786SS**  trans-129.9103.7-165.7-69.9-178.3-179.6170.1-0.3112.4I66I66-R68 HydrophobicContact CG2-CG 4.09Å
69H48Very low41.4Very low182 Ų182141.5 Ų141.584%0.84379%0.789SS**  trans-133.199.1159.7-77.5-67.3000113.4
70S38.4Very low41.6Very low117 Ų117141.3 Ų141.382%0.81879%0.788SS**  trans15.5122.1154.5-51.60000120.8
71A41.6Very low41.6Very low92 Ų92145.6 Ų145.676%0.7679%0.787SS**  trans-74.5174.6153.700000111.4
72P45.1Very low41.3Very low134 Ų134149.1 Ų149.187%0.8780%0.795SS**  -137.3171.889.838-25.4000114.5
73A41.1Very low41.8Very low90 Ų90145.6 Ų145.674%0.74480%0.795SS**  trans-99.9160.2-170.200000114.4
74S45.8Very low42.4Very low115 Ų115146.5 Ų146.580%0.80480%0.801SS**  trans-159.5106.7138.9-86.30000113.6
75T46.5Very low42.6Very low129 Ų129143.3 Ų143.379%0.79180%0.804SS**  trans47.9105130.9-45.60000119.8
76N39.7Very low42.2Very low162 Ų162143 Ų14387%0.86680%0.797SS**  -142.4146.7121.6-142.2-35.5000110.6
77K42.4Very low42.6Very low193 Ų193142.8 Ų142.884%0.83980%0.797SS**  trans-138.787-161.7-167.8-175.6-175-1760112.3
78S44Very low42.9Very low117 Ų117141.4 Ų141.482%0.81880%0.799SS**  trans-122.799174.5-72.40000112
79I45.3Very low42.6Very low155 Ų155135.1 Ų135.180%0.79579%0.787SS**  trans11.7115.2155-72.3160.5000117
80S40.2Very low42.4Very low105 Ų105132.8 Ų132.873%0.73478%0.776SS**  trans-65.8133.1160.3177.70000110.8
81R43.9Very low42.6Very low222 Ų222132.8 Ų132.884%0.83876%0.763SS**  trans-121.9128.6145.2-74.1-167.1-178.5-147.52.2107.7V83R81-V83 PolarHBondContact O-N 2.71Å
82Q33.4Very low42.8Very low186 Ų186131.6 Ų131.687%0.86975%0.749SS**  trans-65.8129.1167.2-64.7164.2-7700108.3
83V46.7Very low43Very low133 Ų133128.3 Ų128.381%0.80673%0.727SS**  trans-117.9118.4163.1-179.90000105.9R81R81-V83 PolarHBondContact O-N 2.71Å
84T47.6Very low43.4Very low118 Ų118129.4 Ų129.472%0.72472%0.72SS**  trans-73.1130.6-177.241.30000110.6N86T84-N86 VanDerWaalsContact C-N 3.32Å; T84-N86 PolarHBondContact O-N 2.83Å
85P41.9Very low43.8Very low130 Ų130128.4 Ų128.484%0.84470%0.698SS**  trans-79.280.5175.732.9-34.1000110
86N36.8Very low44.2Very low109 Ų109127.4 Ų127.458%0.58369%0.688SS**  trans-154.6117.6169.7-119.5-2.5000111.9T84T84-N86 VanDerWaalsContact C-N 3.32Å; T84-N86 PolarHBondContact O-N 2.83Å
87D45.8Very low45.2Very low145 Ų145123.9 Ų123.978%0.77567%0.666SS**SBendtrans170.5-37.4139.9-91.3-27.2000109.3C89D87-C89 PolarHBondContact O-N 3.14Å
88S46Very low46.5Very low120 Ų120118.7 Ų118.784%0.83964%0.644SS**THydrogen-bonded Turntrans-66.4-1.4177.8-40.60000115.7
89C35.4Very low48.2Very low83 Ų83116.4 Ų116.456%0.56162%0.623SS**THydrogen-bonded Turntrans-101.2-18.3-167.9-143.10000114.2D87 T93D87-C89 PolarHBondContact O-N 3.14Å; C89-T93 PolarHBondContact O-OG1 3.27Å; C89-T93 VanDerWaalsContact O-OG1 3.1Å
90H42.1Very low50.4Low133 Ų133110.4 Ų110.462%0.61659%0.59SS**Hα-helixtrans-80.5-30.9-172.8-95.4-74.6000114.8L94H90-L94 PolarHBondContact O-N 3.01Å
91E43.1Very low53Low117 Ų117108.1 Ų108.155%0.54757%0.567SS.*Hα-helixtrans-75-36.7179.2-171.5155.9107.600112.3T93 L94 R95E91-T93 VanDerWaalsContact C-N 3.31Å; E91-T93 PolarHBondContact O-N 3.34Å; E91-L94 PolarHBondContact O-N 2.81Å; E91-L94 VanDerWaalsContact O-N 3.16Å; E91-R95 PolarHBondContact O-N 3.32Å
92S46.1Very low55.4Low67 Ų6797.6 Ų97.647%0.46953%0.527SS..Hα-helixtrans-63.4-36175.8-49.30000112.6L94 L96S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.63Å; S92-L96 WeakPolarHBondContact O-CG 3.29Å; S92-L96 PolarHBondContact O-N 2.75Å
93T48.7Very low58.3Low66 Ų6691.8 Ų91.841%0.40550%0.499SS..Hα-helixtrans-65.8-34.3175.8-56.90000111.7C89 E91 H97C89-T93 PolarHBondContact O-OG1 3.27Å; C89-T93 VanDerWaalsContact O-OG1 3.1Å; E91-T93 VanDerWaalsContact C-N 3.31Å; E91-T93 PolarHBondContact O-N 3.34Å; T93-H97 PolarHBondContact O-N 2.93Å; T93-H97 PolarHBondContact O-ND1 3.34Å
94L51Low60.6Low112 Ų11285.4 Ų85.459%0.58646%0.461SS*.Hα-helixtrans-69.7-44.4178.2-71.3169.8000112.1H90 E91 S92 L96 H97 E98H90-L94 PolarHBondContact O-N 3.01Å; E91-L94 PolarHBondContact O-N 2.81Å; E91-L94 VanDerWaalsContact O-N 3.16Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.63Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.93Å; L94-H97 WeakPolarHBondContact O-CB 3.08Å; L94-H97 PolarHBondContact O-N 2.84Å; L94-E98 PolarHBondContact O-N 3.11Å
95R53.4Low62.8Low95 Ų9580 Ų8036%0.35843%0.428SS..Hα-helixtrans-58-43.5174.7-68.4-172.3-176.9177.25111.9E91 H97 E98 D99 T240E91-R95 PolarHBondContact O-N 3.32Å; R95-H97 PolarHBondContact O-N 2.6Å; R95-E98 PolarHBondContact O-N 3.18Å; R95-D99 PolarHBondContact O-N 2.8Å; R95-T240 PolarHBondContact NH1-O 3.14Å
96L53.9Low65.2Low108 Ų10878.6 Ų78.657%0.56541%0.412SS*.Hα-helixtrans-62.2-8.3174.1-69.9171.3000115S92 L94 R100S92-L96 WeakPolarHBondContact O-CG 3.29Å; S92-L96 PolarHBondContact O-N 2.75Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 2.93Å; L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-NE 2.95Å
97H60.6Low67.8Low88 Ų8873.9 Ų73.941%0.40739%0.386SS..Hα-helixtrans-98.1-26.1170.3-76.864.6000113.1T93 L94 R95 R100T93-H97 PolarHBondContact O-N 2.93Å; T93-H97 PolarHBondContact O-ND1 3.34Å; L94-H97 WeakPolarHBondContact O-CB 3.08Å; L94-H97 PolarHBondContact O-N 2.84Å; R95-H97 PolarHBondContact O-N 2.6Å; H97-R100 PolarHBondContact CD2-NH2 2.81Å; H97-R100 PolarHBondContact NE2-NH2 3.21Å; H97-R100 VanDerWaalsContact NE2-NH2 3.16Å
98E69.9Low69.8Low84 Ų8467 Ų6739%0.39335%0.35SS..Hα-helixtrans-76.1-42.5178.9-64.4-177.7128.800110.5L94 R95 R100 K101 T180L94-E98 PolarHBondContact O-N 3.11Å; R95-E98 PolarHBondContact O-N 3.18Å; E98-R100 PolarHBondContact O-N 2.63Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-T180 HydrophobicContact CG-CG2 4.38Å; E98-T180 VanDerWaalsContact OE1-CB 3.25Å; E98-T180 WeakPolarHBondContact OE1-CB 3.39Å; E98-T180 WeakPolarHBondContact OE1-CG2 3.45Å
99D80.9Confident71.7Confident68 Ų6868.5 Ų68.536%0.36434%0.341SS..THydrogen-bonded Turntrans-68.511174.8-60.4-40.1000114.4R95 S150 F177R95-D99 PolarHBondContact O-N 2.8Å; D99-S150 WeakPolarHBondContact CB-OG 3.47Å; D99-S150 WeakPolarHBondContact O-CA 3.27Å; D99-S150 WeakPolarHBondContact O-CB 3.29Å; D99-S150 PolarHBondContact O-OG 3.43Å; D99-F177 HydrophobicContact CB-CD1 4.47Å; D99-F177 HydrophobicContact CB-CE1 4.37Å; D99-F177 WeakPolarHBondContact O-CE1 3.47Å
100R91.8Very high74.3Confident30 Ų3072.6 Ų72.611%0.11335%0.352CS..THydrogen-bonded Turntrans-107.9-13.6171-60.6-160.1-72.6132.6-12.4113.7L96 H97 E98 E127 K146 F147 S148L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-NE 2.95Å; H97-R100 PolarHBondContact CD2-NH2 2.81Å; H97-R100 PolarHBondContact NE2-NH2 3.21Å; H97-R100 VanDerWaalsContact NE2-NH2 3.16Å; E98-R100 PolarHBondContact O-N 2.63Å; R100-E127 IonicContact CZ-OE1 3.92Å; R100-E127 IonicContact NH1-OE1 2.69Å; R100-E127 PolarHBondContact NH1-OE1 2.85Å; R100-E127 IonicContact NH1-OE2 3.17Å; R100-K146 WeakPolarHBondContact O-CA 3.47Å; R100-F147 PolarHBondContact NH1-O 3.35Å; R100-F147 VanDerWaalsContact NH1-O 3.14Å; R100-F147 PolarHBondContact O-N 3.08Å; R100-S148 VanDerWaalsContact CD-O 3.26Å; R100-S148 WeakPolarHBondContact CD-O 3.45Å; R100-S148 PolarHBondContact NH1-O 3.02Å
101K93.6Very high76.4Confident57 Ų5767.7 Ų67.725%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-102.4120.7-179.8-163.9157.9-167.6152.80109.9E98 E128 K146 A178E98-K101 PolarHBondContact O-N 3.45Å; K101-E128 IonicContact NZ-OE1 2.76Å; K101-E128 PolarHBondContact NZ-OE1 3.37Å; K101-E128 IonicContact NZ-OE2 3.89Å; K101-E128 PolarHBondContact NZ-OE2 3.48Å; K101-K146 HydrophobicContact CB-CG 4.46Å; K101-K146 HydrophobicContact CG-CB 4.46Å; K101-A178 HydrophobicContact CB-CB 4.28Å; K101-A178 HydrophobicContact CG-CB 4.15Å; K101-A178 VanDerWaalsContact O-CB 3.26Å; K101-A178 WeakPolarHBondContact O-CB 3.45Å; K101-A178 PolarHBondContact O-N 3.45Å
102L94.5Very high78.7Confident0 Ų064.9 Ų64.90%032%0.32CS..EExtended strand (participates in β ladder)trans-98144175.8-56.7-172.8000111.1F144 V145 F147 A153 A156 I157 V175 K176 F177L102-F144 VanDerWaalsContact O-CA 3.24Å; L102-F144 WeakPolarHBondContact O-CA 3.38Å; L102-V145 PolarHBondContact N-O 3.01Å; L102-V145 PolarHBondContact O-N 3.35Å; L102-F147 HydrophobicContact CD1-CD2 4.09Å; L102-F147 HydrophobicContact CD1-CE2 3.73Å; L102-F147 HydrophobicContact CG-CD2 4.39Å; L102-F147 HydrophobicContact CG-CE2 4.46Å; L102-A153 HydrophobicContact CD1-CB 4.45Å; L102-A153 HydrophobicContact CD2-CB 3.91Å; L102-A153 HydrophobicContact CG-CB 4.16Å; L102-A156 HydrophobicContact CD1-CB 3.93Å; L102-I157 HydrophobicContact CD1-CG1 4.17Å; L102-I157 HydrophobicContact CD2-CD1 3.64Å; L102-I157 HydrophobicContact CD2-CG1 3.72Å; L102-V175 HydrophobicContact CB-CG1 4.48Å; L102-V175 HydrophobicContact CD1-CG1 3.75Å; L102-K176 CarbonylContact C-O 3.55Å; L102-K176 WeakPolarHBondContact CA-O 3.43Å; L102-K176 WeakPolarHBondContact CB-O 3.43Å; L102-F177 HydrophobicContact CD2-CD1 3.79Å; L102-F177 HydrophobicContact CD2-CE1 4.16Å; L102-F177 HydrophobicContact CD2-CG 4.47Å
103F94.9Very high81Confident64 Ų6464.4 Ų64.428%0.28131%0.311SS..EExtended strand (participates in β ladder)trans-93.7128.2158.8174.1-97.4000108.9C142 F144 V175 K176 A178F103-C142 HydrophobicContact CE2-CB 3.52Å; F103-C142 HydrophobicContact CZ-CB 3.56Å; F103-F144 HydrophobicContact CB-CD1 4.31Å; F103-F144 HydrophobicContact CB-CE1 4.04Å; F103-F144 HydrophobicContact CD2-CD1 4.36Å; F103-F144 AromaticContact CD2-CE1 3.7Å; F103-F144 HydrophobicContact CD2-CE1 3.7Å; F103-F144 AromaticContact CD2-CZ 3.84Å; F103-F144 HydrophobicContact CD2-CZ 3.84Å; F103-F144 HydrophobicContact CE2-CZ 4.48Å; F103-F144 HydrophobicContact CG-CE1 4.37Å; F103-V175 WeakPolarHBondContact O-CA 3.42Å; F103-K176 PolarHBondContact N-O 2.88Å; F103-K176 PolarHBondContact O-N 3.1Å; F103-A178 HydrophobicContact CB-CB 4.34Å
104V94.2Very high83.1Confident0 Ų067.3 Ų67.30%032%0.318CS..EExtended strand (participates in β ladder)trans-114.9104.6175.9-177.10000107.8L107 F120 C142 A143 V145 L173 V175V104-L107 HydrophobicContact CB-CD1 4.23Å; V104-L107 HydrophobicContact CG1-CD1 3.86Å; V104-L107 HydrophobicContact CG1-CD2 4.12Å; V104-L107 HydrophobicContact CG1-CG 3.96Å; V104-F120 HydrophobicContact CB-CZ 4.43Å; V104-F120 HydrophobicContact CG1-CE2 3.98Å; V104-F120 HydrophobicContact CG1-CZ 3.94Å; V104-F120 HydrophobicContact CG2-CE1 4.13Å; V104-F120 HydrophobicContact CG2-CE2 3.93Å; V104-F120 HydrophobicContact CG2-CZ 3.55Å; V104-C142 CarbonylContact O-C 3.57Å; V104-C142 WeakPolarHBondContact O-CA 3.25Å; V104-C142 WeakPolarHBondContact O-CB 3.24Å; V104-A143 PolarHBondContact N-O 3.44Å; V104-A143 PolarHBondContact O-N 2.99Å; V104-V145 HydrophobicContact CG2-CB 4.48Å; V104-V145 HydrophobicContact CG2-CG2 3.87Å; V104-L173 HydrophobicContact CG1-CD2 4.32Å; V104-V175 HydrophobicContact CG1-CG2 4.35Å; V104-V175 HydrophobicContact CG2-CG1 4.45Å; V104-V175 HydrophobicContact CG2-CG2 4.49Å
105G93.2Very high85Confident4 Ų464.9 Ų64.94%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-98.5168.9176.400000113.6L107 V174G105-L107 VanDerWaalsContact C-N 3.32Å; G105-L107 PolarHBondContact O-N 2.91Å; G105-V174 PolarHBondContact N-O 3.16Å; G105-V174 PolarHBondContact O-N 2.79Å
106M92.5Very high86.9Confident101 Ų10160.4 Ų60.450%0.49829%0.288SS..SBendtrans6429.1-179.5-50.2-54.2178.100114.8G141 A169 P172 V174M106-G141 PolarHBondContact N-O 2.95Å; M106-A169 VanDerWaalsContact O-CB 3.25Å; M106-A169 WeakPolarHBondContact O-CB 3.45Å; M106-P172 WeakPolarHBondContact CB-O 3.3Å; M106-V174 HydrophobicContact CG-CB 4.41Å; M106-V174 HydrophobicContact CG-CG2 3.69Å
107L91Very high88.8Confident9 Ų959.1 Ų59.15%0.04728%0.279CS..  trans-71.4144.2171-71.9159.5000111.1V104 G105 I116 G141 A143 M166 L173V104-L107 HydrophobicContact CB-CD1 4.23Å; V104-L107 HydrophobicContact CG1-CD1 3.86Å; V104-L107 HydrophobicContact CG1-CD2 4.12Å; V104-L107 HydrophobicContact CG1-CG 3.96Å; G105-L107 VanDerWaalsContact C-N 3.32Å; G105-L107 PolarHBondContact O-N 2.91Å; L107-I116 HydrophobicContact CD1-CD1 3.56Å; L107-I116 HydrophobicContact CD1-CG1 4.24Å; L107-I116 HydrophobicContact CD2-CD1 4.07Å; L107-I116 HydrophobicContact CD2-CG1 3.87Å; L107-I116 HydrophobicContact CG-CD1 4.45Å; L107-G141 PolarHBondContact N-O 3.39Å; L107-G141 WeakPolarHBondContact O-CA 3.14Å; L107-A143 HydrophobicContact CD1-CB 3.55Å; L107-M166 HydrophobicContact CD2-CG 4.43Å; L107-L173 HydrophobicContact CD2-CD2 3.66Å; L107-L173 HydrophobicContact CG-CD2 3.95Å
108G87.9Confident90.3Very high1 Ų159.4 Ų59.41%0.0128%0.284CS..  trans-64.3141.1171.300000111.2H110 Q111G108-H110 PolarHBondContact O-N 3.48Å; G108-Q111 WeakPolarHBondContact O-CB 3.1Å; G108-Q111 WeakPolarHBondContact O-CG 3.44Å; G108-Q111 PolarHBondContact O-N 3.14Å
109K87.8Confident91.3Very high151 Ų15156.9 Ų56.966%0.65727%0.273SS*.THydrogen-bonded Turntrans-62.6-13.7-174.9-64.6-176.3-179.8179.80115.1S139K109-S139 WeakPolarHBondContact O-CB 3.36Å
110H88.8Confident92Very high170 Ų17053.7 Ų53.779%0.78726%0.256SS*.THydrogen-bonded Turntrans-100.5-5.6178.9-58.4-75.3000113.9G108G108-H110 PolarHBondContact O-N 3.48Å
111Q87.1Confident92.1Very high30 Ų3054.8 Ų54.814%0.1427%0.271CS..  trans-68.1136.8177.2-60.3-59.7-38.600109.8G108 I131 M166 Q167G108-Q111 WeakPolarHBondContact O-CB 3.1Å; G108-Q111 WeakPolarHBondContact O-CG 3.44Å; G108-Q111 PolarHBondContact O-N 3.14Å; Q111-I131 WeakPolarHBondContact O-CD1 3.38Å; Q111-M166 VanDerWaalsContact CD-CE 3.48Å; Q111-M166 HydrophobicContact CG-CB 4.36Å; Q111-M166 HydrophobicContact CG-CE 4.21Å; Q111-Q167 PolarHBondContact NE2-O 2.84Å
112T91.6Very high92Very high57 Ų5756.8 Ų56.835%0.3529%0.29SS..  trans-98.3165.3176.572.50000111.5K114 D115 I116 I131T112-K114 PolarHBondContact O-N 3.45Å; T112-K114 VanDerWaalsContact O-N 3.14Å; T112-K114 PolarHBondContact OG1-N 2.9Å; T112-D115 WeakPolarHBondContact CA-OD2 3.46Å; T112-D115 VanDerWaalsContact CB-OD2 3.29Å; T112-D115 WeakPolarHBondContact CB-OD2 3.42Å; T112-D115 PolarHBondContact N-OD2 2.63Å; T112-D115 PolarHBondContact O-N 3.17Å; T112-D115 VanDerWaalsContact O-N 3.11Å; T112-D115 VanDerWaalsContact OG1-CG 3.31Å; T112-D115 PolarHBondContact OG1-N 2.81Å; T112-D115 PolarHBondContact OG1-OD2 2.8Å; T112-I116 WeakPolarHBondContact O-CG1 3.38Å; T112-I116 PolarHBondContact O-N 2.93Å; T112-I131 VanDerWaalsContact C-CD1 3.45Å
113E93Very high91.9Very high58 Ų5859.7 Ų59.727%0.27130%0.302SS..Hα-helixtrans-54.2-31.4172.9-6776-175.200111.5Q117 I131 R133E113-Q117 VanDerWaalsContact O-CB 3.3Å; E113-Q117 WeakPolarHBondContact O-CB 3.26Å; E113-Q117 PolarHBondContact O-N 3.45Å; E113-I131 HydrophobicContact CG-CB 4.43Å; E113-I131 HydrophobicContact CG-CD1 4.24Å; E113-I131 HydrophobicContact CG-CG1 4.02Å; E113-I131 WeakPolarHBondContact OE1-CB 3.34Å; E113-R133 IonicContact OE1-CZ 3.63Å; E113-R133 IonicContact OE1-NE 3.44Å; E113-R133 PolarHBondContact OE1-NE 3.46Å; E113-R133 IonicContact OE1-NH2 3.82Å; E113-R133 PolarHBondContact OE1-NH2 3.4Å; E113-R133 IonicContact OE2-NH2 2.71Å; E113-R133 PolarHBondContact OE2-NH2 3.28Å
114K92.5Very high91.8Very high127 Ų12757.4 Ų57.455%0.55230%0.296SS*.Hα-helixtrans-74.3-37.5178.4-171.4169.9-176.257.40113.1T112 I116 Q117 N118T112-K114 PolarHBondContact O-N 3.45Å; T112-K114 VanDerWaalsContact O-N 3.14Å; T112-K114 PolarHBondContact OG1-N 2.9Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-Q117 PolarHBondContact O-N 2.92Å; K114-N118 WeakPolarHBondContact O-CB 3.43Å; K114-N118 PolarHBondContact O-N 3.42Å; K114-N118 PolarHBondContact O-ND2 3.46Å; K114-N118 PolarHBondContact O-OD1 3.45Å
115D92.4Very high91.8Very high61 Ų6163.3 Ų63.333%0.32633%0.326SS..Hα-helixtrans-67.1-40.7178.3-54-55.3000110.5T112 N118 L119T112-D115 WeakPolarHBondContact CA-OD2 3.46Å; T112-D115 VanDerWaalsContact CB-OD2 3.29Å; T112-D115 WeakPolarHBondContact CB-OD2 3.42Å; T112-D115 PolarHBondContact N-OD2 2.63Å; T112-D115 PolarHBondContact O-N 3.17Å; T112-D115 VanDerWaalsContact O-N 3.11Å; T112-D115 VanDerWaalsContact OG1-CG 3.31Å; T112-D115 PolarHBondContact OG1-N 2.81Å; T112-D115 PolarHBondContact OG1-OD2 2.8Å; D115-N118 PolarHBondContact O-N 2.97Å; D115-L119 WeakPolarHBondContact O-CB 3.3Å; D115-L119 PolarHBondContact O-N 2.81Å
116I92.2Very high91.9Very high0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-65.5-45.7173.4-58.4165.9000110.1L107 T112 K114 N118 L119 F120 I131 A143 V145L107-I116 HydrophobicContact CD1-CD1 3.56Å; L107-I116 HydrophobicContact CD1-CG1 4.24Å; L107-I116 HydrophobicContact CD2-CD1 4.07Å; L107-I116 HydrophobicContact CD2-CG1 3.87Å; L107-I116 HydrophobicContact CG-CD1 4.45Å; T112-I116 WeakPolarHBondContact O-CG1 3.38Å; T112-I116 PolarHBondContact O-N 2.93Å; K114-I116 VanDerWaalsContact C-N 3.34Å; I116-N118 VanDerWaalsContact C-N 3.32Å; I116-N118 PolarHBondContact O-N 3.18Å; I116-L119 PolarHBondContact O-N 3.36Å; I116-L119 VanDerWaalsContact O-N 3.16Å; I116-F120 HydrophobicContact CG2-CD2 3.78Å; I116-F120 HydrophobicContact CG2-CE2 4.1Å; I116-F120 WeakPolarHBondContact O-CD2 3.17Å; I116-F120 PolarHBondContact O-N 2.7Å; I116-I131 HydrophobicContact CD1-CD1 3.68Å; I116-I131 HydrophobicContact CD1-CG1 3.53Å; I116-A143 HydrophobicContact CD1-CB 3.74Å; I116-V145 HydrophobicContact CG2-CG2 3.7Å
117Q94.1Very high91.9Very high82 Ų8264.5 Ų64.538%0.38333%0.331SS..Hα-helixtrans-59.1-43.3176.9-168.4-179.935.600111.7E113 K114 L119 F120 A121 I126E113-Q117 VanDerWaalsContact O-CB 3.3Å; E113-Q117 WeakPolarHBondContact O-CB 3.26Å; E113-Q117 PolarHBondContact O-N 3.45Å; K114-Q117 PolarHBondContact O-N 2.92Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.34Å; Q117-F120 PolarHBondContact O-N 2.82Å; Q117-A121 WeakPolarHBondContact O-CB 3.48Å; Q117-A121 PolarHBondContact O-N 2.89Å; Q117-I126 HydrophobicContact CB-CD1 4.46Å; Q117-I126 HydrophobicContact CG-CD1 3.91Å
118N93Very high92Very high93 Ų9367.3 Ų67.350%0.49734%0.343SS..Hα-helixtrans-63.1-37.6175.9-68.4-18.6000112.5K114 D115 I116 P122K114-N118 WeakPolarHBondContact O-CB 3.43Å; K114-N118 PolarHBondContact O-N 3.42Å; K114-N118 PolarHBondContact O-ND2 3.46Å; K114-N118 PolarHBondContact O-OD1 3.45Å; D115-N118 PolarHBondContact O-N 2.97Å; I116-N118 VanDerWaalsContact C-N 3.32Å; I116-N118 PolarHBondContact O-N 3.18Å; N118-P122 WeakPolarHBondContact O-CD 3.34Å
119L91.1Very high92.3Very high32 Ų3268.5 Ų68.517%0.16835%0.351CS..Hα-helixtrans-71.1-37178.7179.961.4000112.7D115 I116 Q117 P122 M160 Q164 M166 L173D115-L119 WeakPolarHBondContact O-CB 3.3Å; D115-L119 PolarHBondContact O-N 2.81Å; I116-L119 PolarHBondContact O-N 3.36Å; I116-L119 VanDerWaalsContact O-N 3.16Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.34Å; L119-P122 WeakPolarHBondContact O-CD 3.41Å; L119-M160 HydrophobicContact CD1-SD 3.68Å; L119-M160 HydrophobicContact CD2-SD 4.2Å; L119-M160 HydrophobicContact CG-SD 3.74Å; L119-Q164 VanDerWaalsContact CD1-OE1 3.25Å; L119-M166 HydrophobicContact CD2-CE 4.4Å; L119-M166 HydrophobicContact CD2-SD 3.87Å; L119-L173 HydrophobicContact CD2-CD1 3.65Å
120F93.9Very high92.5Very high0 Ų064.5 Ų64.50%034%0.34CS..Hα-helixtrans-91.6-20.9-176.3-80.9-91.8000114.2V104 I116 Q117 Y123 I126 V145 F147 A156 M160 V175V104-F120 HydrophobicContact CB-CZ 4.43Å; V104-F120 HydrophobicContact CG1-CE2 3.98Å; V104-F120 HydrophobicContact CG1-CZ 3.94Å; V104-F120 HydrophobicContact CG2-CE1 4.13Å; V104-F120 HydrophobicContact CG2-CE2 3.93Å; V104-F120 HydrophobicContact CG2-CZ 3.55Å; I116-F120 HydrophobicContact CG2-CD2 3.78Å; I116-F120 HydrophobicContact CG2-CE2 4.1Å; I116-F120 WeakPolarHBondContact O-CD2 3.17Å; I116-F120 PolarHBondContact O-N 2.7Å; Q117-F120 PolarHBondContact O-N 2.82Å; F120-Y123 PolarHBondContact O-N 2.68Å; F120-Y123 VanDerWaalsContact O-N 3.08Å; F120-I126 HydrophobicContact CB-CD1 3.64Å; F120-V145 HydrophobicContact CB-CG1 4.29Å; F120-V145 HydrophobicContact CD2-CG2 4.48Å; F120-V145 HydrophobicContact CG-CG1 4.43Å; F120-F147 HydrophobicContact CB-CZ 4.02Å; F120-F147 HydrophobicContact CD1-CE2 4.17Å; F120-F147 HydrophobicContact CD1-CZ 4.02Å; F120-A156 HydrophobicContact CD1-CB 4.1Å; F120-A156 HydrophobicContact CE1-CB 4.35Å; F120-M160 HydrophobicContact CD1-CG 4.38Å; F120-M160 HydrophobicContact CE1-CB 3.92Å; F120-M160 HydrophobicContact CE1-CG 3.93Å; F120-M160 HydrophobicContact CZ-CB 3.96Å; F120-M160 HydrophobicContact CZ-CG 4.16Å; F120-V175 HydrophobicContact CE1-CG1 3.96Å; F120-V175 HydrophobicContact CE1-CG2 4.14Å; F120-V175 HydrophobicContact CZ-CG1 4.27Å; F120-V175 HydrophobicContact CZ-CG2 3.71Å
121A93.7Very high92.8Very high53 Ų5356.8 Ų56.844%0.43830%0.304SS..G310 helixtrans-56.3-31.7179.400000116.1Q117 Y123 G124Q117-A121 WeakPolarHBondContact O-CB 3.48Å; Q117-A121 PolarHBondContact O-N 2.89Å; A121-Y123 PolarHBondContact O-N 3.26Å; A121-G124 PolarHBondContact O-N 3Å
122P92.9Very high93Very high99 Ų9959 Ų5964%0.64332%0.317SS*.G310 helixtrans-62.6-17.9174.7-25.136.2000114.7N118 L119N118-P122 WeakPolarHBondContact O-CD 3.34Å; L119-P122 WeakPolarHBondContact O-CD 3.41Å
123Y93.1Very high93.1Very high62 Ų6262.4 Ų62.424%0.24332%0.323CS..G310 helixtrans-98.8-8.6-176.5-54.6-71.8000113.7F120 A121 A156 H159 M160F120-Y123 PolarHBondContact O-N 2.68Å; F120-Y123 VanDerWaalsContact O-N 3.08Å; A121-Y123 PolarHBondContact O-N 3.26Å; Y123-A156 HydrophobicContact CG-CB 4.22Å; Y123-H159 HydrophobicContact CD1-CB 3.98Å; Y123-H159 HydrophobicContact CE1-CB 3.3Å; Y123-H159 AromaticContact CE1-CD2 3.98Å; Y123-H159 AromaticContact CE1-CG 3.57Å; Y123-M160 HydrophobicContact CD2-CG 4.05Å; Y123-M160 HydrophobicContact CE2-CE 4.02Å; Y123-M160 HydrophobicContact CE2-CG 3.57Å; Y123-M160 HydrophobicContact CE2-SD 3.68Å; Y123-M160 VanDerWaalsContact OH-CE 3.3Å; Y123-M160 WeakPolarHBondContact OH-CE 3.32Å
124G91.9Very high93Very high15 Ų1563.1 Ų63.116%0.15533%0.328CS..SBendtrans156.5177177.200000114.9A121 I126 E152A121-G124 PolarHBondContact O-N 3Å; G124-I126 PolarHBondContact O-N 3.02Å; G124-E152 WeakPolarHBondContact CA-OE1 3.49Å
125L94.4Very high92.9Very high124 Ų12466 Ų6665%0.64934%0.344SS*.  trans-75.8119.4178.1-62.5179.3000111.1F147 S148 E152L125-F147 CarbonylContact O-C 3.55Å; L125-F147 WeakPolarHBondContact O-CA 3.45Å; L125-S148 PolarHBondContact O-N 3.31Å; L125-E152 PolarHBondContact N-OE1 3.39Å
126I94.7Very high92.7Very high29 Ų2968.8 Ų68.815%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-89.4114.4179.2-61.3167.6000109.6Q117 F120 G124 E128 C129 V145 K146 F147Q117-I126 HydrophobicContact CB-CD1 4.46Å; Q117-I126 HydrophobicContact CG-CD1 3.91Å; F120-I126 HydrophobicContact CB-CD1 3.64Å; G124-I126 PolarHBondContact O-N 3.02Å; I126-E128 WeakPolarHBondContact CG2-O 3.47Å; I126-C129 HydrophobicContact CG2-CB 4.15Å; I126-V145 HydrophobicContact CD1-CG1 4.14Å; I126-V145 HydrophobicContact CG1-CG1 4.03Å; I126-V145 HydrophobicContact CG2-CG1 3.99Å; I126-K146 CarbonylContact C-O 3.5Å; I126-K146 WeakPolarHBondContact CA-O 3.36Å; I126-F147 HydrophobicContact CG1-CD1 4.21Å; I126-F147 HydrophobicContact CG1-CE1 3.83Å; I126-F147 HydrophobicContact CG1-CZ 4.23Å
127E93.7Very high92.5Very high102 Ų10270.8 Ų70.848%0.47738%0.38SS..EExtended strand (participates in β ladder)trans-75.3-36.7172.6-70.3-174-171.900112.3R100 K146R100-E127 IonicContact CZ-OE1 3.92Å; R100-E127 IonicContact NH1-OE1 2.69Å; R100-E127 PolarHBondContact NH1-OE1 2.85Å; R100-E127 IonicContact NH1-OE2 3.17Å; E127-K146 HydrophobicContact CB-CD 4.2Å; E127-K146 PolarHBondContact N-O 3.26Å; E127-K146 WeakPolarHBondContact OE2-CD 3.37Å; E127-K146 WeakPolarHBondContact OE2-CE 3.48Å; E127-K146 IonicContact OE2-NZ 2.75Å; E127-K146 PolarHBondContact OE2-NZ 3.23Å
128E92.2Very high92.2Very high68 Ų6872.4 Ų72.432%0.31839%0.39SS..EExtended strand (participates in β ladder)trans-148.1133.6-172.1-167.9-158.713400109.7K101 I126 V145 K146K101-E128 IonicContact NZ-OE1 2.76Å; K101-E128 PolarHBondContact NZ-OE1 3.37Å; K101-E128 IonicContact NZ-OE2 3.89Å; K101-E128 PolarHBondContact NZ-OE2 3.48Å; I126-E128 WeakPolarHBondContact CG2-O 3.47Å; E128-V145 CarbonylContact O-C 3.56Å; E128-V145 WeakPolarHBondContact O-CA 3.11Å; E128-K146 HydrophobicContact CB-CB 3.73Å; E128-K146 HydrophobicContact CB-CD 4.3Å; E128-K146 PolarHBondContact N-O 2.87Å; E128-K146 PolarHBondContact O-N 2.84Å
129C93.4Very high92Very high25 Ų2568.6 Ų68.617%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-135.4125.8168179.50000109.1I126 F144I126-C129 HydrophobicContact CG2-CB 4.15Å; C129-F144 WeakPolarHBondContact CA-O 3.38Å
130T93.8Very high92Very high68 Ų6872.2 Ų72.242%0.41739%0.385SS..EExtended strand (participates in β ladder)trans-143.7120.2-176-69.90000110.6A143 F144T130-A143 CarbonylContact O-C 3.53Å; T130-A143 VanDerWaalsContact O-CA 3.27Å; T130-A143 WeakPolarHBondContact O-CA 3.26Å; T130-A143 WeakPolarHBondContact O-CB 3.4Å; T130-F144 PolarHBondContact N-O 3.25Å; T130-F144 PolarHBondContact O-N 3.25Å
131I94.1Very high91.9Very high8 Ų872.7 Ų72.74%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-76.6134.1171.8-67.9175.6000109.4Q111 T112 E113 I116 R133 S139 A143Q111-I131 WeakPolarHBondContact O-CD1 3.38Å; T112-I131 VanDerWaalsContact C-CD1 3.45Å; E113-I131 HydrophobicContact CG-CB 4.43Å; E113-I131 HydrophobicContact CG-CD1 4.24Å; E113-I131 HydrophobicContact CG-CG1 4.02Å; E113-I131 WeakPolarHBondContact OE1-CB 3.34Å; I116-I131 HydrophobicContact CD1-CD1 3.68Å; I116-I131 HydrophobicContact CD1-CG1 3.53Å; I131-R133 HydrophobicContact CG2-CG 4.05Å; I131-R133 PolarHBondContact O-N 3.16Å; I131-S139 WeakPolarHBondContact CG2-OG 3.48Å; I131-A143 HydrophobicContact CG1-CB 4.05Å
132L92.1Very high91.9Very high77 Ų7770.9 Ų70.940%0.40338%0.375SS..EExtended strand (participates in β ladder)trans-78.3114.5171.5-164.868.2000108.9K140 C142L132-K140 HydrophobicContact CD2-CD 4.35Å; L132-K140 HydrophobicContact CG-CD 4.22Å; L132-K140 WeakPolarHBondContact O-CB 3.39Å; L132-K140 WeakPolarHBondContact O-CG 3.41Å; L132-K140 PolarHBondContact O-N 2.75Å; L132-C142 PolarHBondContact N-O 3.16Å
133R92.9Very high92Very high127 Ų12766.2 Ų66.248%0.47934%0.344SS..EExtended strand (participates in β ladder)trans-105.6152.3-179.3-62.4171.7-175.4-115.85.7110.2E113 I131 L138E113-R133 IonicContact OE1-CZ 3.63Å; E113-R133 IonicContact OE1-NE 3.44Å; E113-R133 PolarHBondContact OE1-NE 3.46Å; E113-R133 IonicContact OE1-NH2 3.82Å; E113-R133 PolarHBondContact OE1-NH2 3.4Å; E113-R133 IonicContact OE2-NH2 2.71Å; E113-R133 PolarHBondContact OE2-NH2 3.28Å; I131-R133 HydrophobicContact CG2-CG 4.05Å; I131-R133 PolarHBondContact O-N 3.16Å; R133-L138 CarbonylContact C-O 3.43Å; R133-L138 VanDerWaalsContact CA-O 3.29Å; R133-L138 WeakPolarHBondContact CA-O 3.37Å
134D89.9Confident92.1Very high73 Ų7364.4 Ų64.439%0.3934%0.338SS..  trans-85.8174.3178-138.5-1.4000111.8N136 G137 L138 K140D134-N136 PolarHBondContact O-N 2.95Å; D134-G137 PolarHBondContact O-N 3.37Å; D134-L138 PolarHBondContact N-O 3.02Å; D134-K140 HydrophobicContact CB-CD 4.08Å; D134-K140 HydrophobicContact CB-CG 3.89Å; D134-K140 VanDerWaalsContact CG-NZ 3.32Å; D134-K140 IonicContact OD1-NZ 2.93Å; D134-K140 PolarHBondContact OD1-NZ 2.79Å; D134-K140 IonicContact OD2-NZ 3.27Å
135Q91.2Very high92.2Very high187 Ų18763.7 Ų63.787%0.87433%0.33SS*.THydrogen-bonded Turntrans-56.2-22.7177.766.6-176.167.700114
136N88.7Confident92.2Very high121 Ų12160 Ų6065%0.64731%0.309SS*.THydrogen-bonded Turntrans-87.46.9174.9-62.282000114D134 L138D134-N136 PolarHBondContact O-N 2.95Å; N136-L138 HydrophobicContact CB-CD1 4.12Å; N136-L138 HydrophobicContact CB-CG 4.43Å; N136-L138 PolarHBondContact O-N 2.95Å; N136-L138 VanDerWaalsContact O-N 3.14Å
137G87.5Confident92.2Very high42 Ų4258.6 Ų58.643%0.43330%0.302SS..SBendtrans75.2-9.9-176.100000115.6D134D134-G137 PolarHBondContact O-N 3.37Å
138L87.3Confident92.2Very high115 Ų11556 Ų5660%0.60230%0.295SS*.  trans-63.8138.4176.2-72.5163.9000111.7R133 D134 N136 K140R133-L138 CarbonylContact C-O 3.43Å; R133-L138 VanDerWaalsContact CA-O 3.29Å; R133-L138 WeakPolarHBondContact CA-O 3.37Å; D134-L138 PolarHBondContact N-O 3.02Å; N136-L138 HydrophobicContact CB-CD1 4.12Å; N136-L138 HydrophobicContact CB-CG 4.43Å; N136-L138 PolarHBondContact O-N 2.95Å; N136-L138 VanDerWaalsContact O-N 3.14Å; L138-K140 PolarHBondContact O-N 3.01Å
139S90.4Very high92.2Very high14 Ų1455 Ų5510%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-62.1131.7171.8174.60000111K109 I131 G141K109-S139 WeakPolarHBondContact O-CB 3.36Å; I131-S139 WeakPolarHBondContact CG2-OG 3.48Å; S139-G141 PolarHBondContact O-N 3.17Å; S139-G141 PolarHBondContact OG-N 2.89Å
140K91.2Very high92.1Very high107 Ų10755.5 Ų55.547%0.46530%0.299SS..EExtended strand (participates in β ladder)trans-80.13.5176.4-56.9-170.975.6133.60113L132 D134 L138 C142L132-K140 HydrophobicContact CD2-CD 4.35Å; L132-K140 HydrophobicContact CG-CD 4.22Å; L132-K140 WeakPolarHBondContact O-CB 3.39Å; L132-K140 WeakPolarHBondContact O-CG 3.41Å; L132-K140 PolarHBondContact O-N 2.75Å; D134-K140 HydrophobicContact CB-CD 4.08Å; D134-K140 HydrophobicContact CB-CG 3.89Å; D134-K140 VanDerWaalsContact CG-NZ 3.32Å; D134-K140 IonicContact OD1-NZ 2.93Å; D134-K140 PolarHBondContact OD1-NZ 2.79Å; D134-K140 IonicContact OD2-NZ 3.27Å; L138-K140 PolarHBondContact O-N 3.01Å; K140-C142 VanDerWaalsContact C-N 3.33Å
141G90.9Very high92.1Very high11 Ų1156.7 Ų56.711%0.11331%0.306CS..EExtended strand (participates in β ladder)trans74.623.3-175.900000113.5M106 L107 S139M106-G141 PolarHBondContact N-O 2.95Å; L107-G141 PolarHBondContact N-O 3.39Å; L107-G141 WeakPolarHBondContact O-CA 3.14Å; S139-G141 PolarHBondContact O-N 3.17Å; S139-G141 PolarHBondContact OG-N 2.89Å
142C93.2Very high92.2Very high15 Ų1558 Ų5810%0.10131%0.312CS..EExtended strand (participates in β ladder)trans-145.4156.1172.659.20000112.5F103 V104 L132 K140F103-C142 HydrophobicContact CE2-CB 3.52Å; F103-C142 HydrophobicContact CZ-CB 3.56Å; V104-C142 CarbonylContact O-C 3.57Å; V104-C142 WeakPolarHBondContact O-CA 3.25Å; V104-C142 WeakPolarHBondContact O-CB 3.24Å; L132-C142 PolarHBondContact N-O 3.16Å; K140-C142 VanDerWaalsContact C-N 3.33Å
143A94.7Very high92.3Very high0 Ų054.3 Ų54.30%029%0.293CS..EExtended strand (participates in β ladder)trans-143.5165.3-179.300000111.2V104 L107 I116 T130 I131V104-A143 PolarHBondContact N-O 3.44Å; V104-A143 PolarHBondContact O-N 2.99Å; L107-A143 HydrophobicContact CD1-CB 3.55Å; I116-A143 HydrophobicContact CD1-CB 3.74Å; T130-A143 CarbonylContact O-C 3.53Å; T130-A143 VanDerWaalsContact O-CA 3.27Å; T130-A143 WeakPolarHBondContact O-CA 3.26Å; T130-A143 WeakPolarHBondContact O-CB 3.4Å; I131-A143 HydrophobicContact CG1-CB 4.05Å
144F95.1Very high92.4Very high25 Ų2550.1 Ų50.111%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-112.6134.6165.5-63.4-81.8000110L102 F103 C129 T130 A178 R184L102-F144 VanDerWaalsContact O-CA 3.24Å; L102-F144 WeakPolarHBondContact O-CA 3.38Å; F103-F144 HydrophobicContact CB-CD1 4.31Å; F103-F144 HydrophobicContact CB-CE1 4.04Å; F103-F144 HydrophobicContact CD2-CD1 4.36Å; F103-F144 AromaticContact CD2-CE1 3.7Å; F103-F144 HydrophobicContact CD2-CE1 3.7Å; F103-F144 AromaticContact CD2-CZ 3.84Å; F103-F144 HydrophobicContact CD2-CZ 3.84Å; F103-F144 HydrophobicContact CE2-CZ 4.48Å; F103-F144 HydrophobicContact CG-CE1 4.37Å; C129-F144 WeakPolarHBondContact CA-O 3.38Å; T130-F144 PolarHBondContact N-O 3.25Å; T130-F144 PolarHBondContact O-N 3.25Å; F144-A178 HydrophobicContact CD1-CB 3.91Å; F144-A178 HydrophobicContact CE1-CB 3.91Å; F144-R184 VanDerWaalsContact CZ-NH2 3.29Å
145V94.9Very high92.6Very high0 Ų050.5 Ų50.50%029%0.288CS..EExtended strand (participates in β ladder)trans-124.5124.7176.5-179.10000107.5L102 V104 I116 F120 I126 E128 F147L102-V145 PolarHBondContact N-O 3.01Å; L102-V145 PolarHBondContact O-N 3.35Å; V104-V145 HydrophobicContact CG2-CB 4.48Å; V104-V145 HydrophobicContact CG2-CG2 3.87Å; I116-V145 HydrophobicContact CG2-CG2 3.7Å; F120-V145 HydrophobicContact CB-CG1 4.29Å; F120-V145 HydrophobicContact CD2-CG2 4.48Å; F120-V145 HydrophobicContact CG-CG1 4.43Å; I126-V145 HydrophobicContact CD1-CG1 4.14Å; I126-V145 HydrophobicContact CG1-CG1 4.03Å; I126-V145 HydrophobicContact CG2-CG1 3.99Å; E128-V145 CarbonylContact O-C 3.56Å; E128-V145 WeakPolarHBondContact O-CA 3.11Å; V145-F147 HydrophobicContact CG1-CD2 4.32Å; V145-F147 HydrophobicContact CG1-CE2 3.87Å; V145-F147 HydrophobicContact CG1-CZ 4.29Å
146K94.2Very high92.8Very high45 Ų4541.6 Ų41.620%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-110.7124.7178.8-167.8-166.7178.6-159.70109.6R100 K101 I126 E127 E128R100-K146 WeakPolarHBondContact O-CA 3.47Å; K101-K146 HydrophobicContact CB-CG 4.46Å; K101-K146 HydrophobicContact CG-CB 4.46Å; I126-K146 CarbonylContact C-O 3.5Å; I126-K146 WeakPolarHBondContact CA-O 3.36Å; E127-K146 HydrophobicContact CB-CD 4.2Å; E127-K146 PolarHBondContact N-O 3.26Å; E127-K146 WeakPolarHBondContact OE2-CD 3.37Å; E127-K146 WeakPolarHBondContact OE2-CE 3.48Å; E127-K146 IonicContact OE2-NZ 2.75Å; E127-K146 PolarHBondContact OE2-NZ 3.23Å; E128-K146 HydrophobicContact CB-CB 3.73Å; E128-K146 HydrophobicContact CB-CD 4.3Å; E128-K146 PolarHBondContact N-O 2.87Å; E128-K146 PolarHBondContact O-N 2.84Å
147F94.9Very high93.1Very high0 Ų037.3 Ų37.30%022%0.223CC..EExtended strand (participates in β ladder)trans-93.8159.8176.2-76.8-84.2000112.5R100 L102 F120 L125 I126 V145 S149 E152 A153 A156R100-F147 PolarHBondContact NH1-O 3.35Å; R100-F147 VanDerWaalsContact NH1-O 3.14Å; R100-F147 PolarHBondContact O-N 3.08Å; L102-F147 HydrophobicContact CD1-CD2 4.09Å; L102-F147 HydrophobicContact CD1-CE2 3.73Å; L102-F147 HydrophobicContact CG-CD2 4.39Å; L102-F147 HydrophobicContact CG-CE2 4.46Å; F120-F147 HydrophobicContact CB-CZ 4.02Å; F120-F147 HydrophobicContact CD1-CE2 4.17Å; F120-F147 HydrophobicContact CD1-CZ 4.02Å; L125-F147 CarbonylContact O-C 3.55Å; L125-F147 WeakPolarHBondContact O-CA 3.45Å; I126-F147 HydrophobicContact CG1-CD1 4.21Å; I126-F147 HydrophobicContact CG1-CE1 3.83Å; I126-F147 HydrophobicContact CG1-CZ 4.23Å; V145-F147 HydrophobicContact CG1-CD2 4.32Å; V145-F147 HydrophobicContact CG1-CE2 3.87Å; V145-F147 HydrophobicContact CG1-CZ 4.29Å; F147-S149 VanDerWaalsContact C-N 3.32Å; F147-S149 WeakPolarHBondContact CB-O 3.47Å; F147-E152 HydrophobicContact CB-CB 3.91Å; F147-E152 HydrophobicContact CD1-CB 3.7Å; F147-E152 HydrophobicContact CE1-CB 4.44Å; F147-E152 HydrophobicContact CG-CB 3.93Å; F147-A153 HydrophobicContact CB-CB 4.22Å; F147-A153 HydrophobicContact CD2-CB 3.98Å; F147-A153 HydrophobicContact CG-CB 4.42Å; F147-A156 HydrophobicContact CE2-CB 3.61Å; F147-A156 HydrophobicContact CZ-CB 3.67Å
148S93.4Very high93.4Very high48 Ų4841.6 Ų41.634%0.33624%0.236SC..SBendtrans-66.6-36175.182.20000111.7R100 L125 E152R100-S148 VanDerWaalsContact CD-O 3.26Å; R100-S148 WeakPolarHBondContact CD-O 3.45Å; R100-S148 PolarHBondContact NH1-O 3.02Å; L125-S148 PolarHBondContact O-N 3.31Å; S148-E152 WeakPolarHBondContact CB-OE2 3.46Å; S148-E152 PolarHBondContact N-OE2 3.34Å; S148-E152 PolarHBondContact OG-OE2 2.92Å
149S91.9Very high93.6Very high47 Ų4740.7 Ų40.733%0.32923%0.229SC..SBendtrans-122.7151.6178.6-179.60000112.4F147 T151 E152 A153F147-S149 VanDerWaalsContact C-N 3.32Å; F147-S149 WeakPolarHBondContact CB-O 3.47Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 PolarHBondContact OG-N 3.44Å; S149-E152 PolarHBondContact N-OE2 2.9Å; S149-E152 PolarHBondContact O-N 3.18Å; S149-A153 PolarHBondContact O-N 2.84Å
150S92.6Very high93.7Very high35 Ų3540.7 Ų40.725%0.24523%0.227CC..Hα-helixtrans-69.7-29.5173.9-177.50000111.7D99 E152 A153 A154D99-S150 WeakPolarHBondContact CB-OG 3.47Å; D99-S150 WeakPolarHBondContact O-CA 3.27Å; D99-S150 WeakPolarHBondContact O-CB 3.29Å; D99-S150 PolarHBondContact O-OG 3.43Å; S150-E152 PolarHBondContact O-N 3.08Å; S150-A153 WeakPolarHBondContact O-CB 3.15Å; S150-A153 PolarHBondContact O-N 3.47Å; S150-A154 WeakPolarHBondContact O-CB 3.41Å; S150-A154 PolarHBondContact O-N 3.02Å
151T94.1Very high93.7Very high93 Ų9338.8 Ų38.857%0.57122%0.22SC*.Hα-helixtrans-66.3-37.3175.5-46.40000112S149 A154 N155S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 PolarHBondContact OG-N 3.44Å; T151-A154 PolarHBondContact O-N 3.02Å; T151-N155 WeakPolarHBondContact O-CB 3.26Å; T151-N155 PolarHBondContact O-N 3.05Å; T151-N155 PolarHBondContact O-ND2 3.49Å; T151-N155 PolarHBondContact O-OD1 2.77Å
152E94.8Very high93.8Very high35 Ų3542.8 Ų42.816%0.16424%0.239CC..Hα-helixtrans-63.3-45.3171.7-65.5173.9133.800110.8G124 L125 F147 S148 S149 S150 A154 N155 A156G124-E152 WeakPolarHBondContact CA-OE1 3.49Å; L125-E152 PolarHBondContact N-OE1 3.39Å; F147-E152 HydrophobicContact CB-CB 3.91Å; F147-E152 HydrophobicContact CD1-CB 3.7Å; F147-E152 HydrophobicContact CE1-CB 4.44Å; F147-E152 HydrophobicContact CG-CB 3.93Å; S148-E152 WeakPolarHBondContact CB-OE2 3.46Å; S148-E152 PolarHBondContact N-OE2 3.34Å; S148-E152 PolarHBondContact OG-OE2 2.92Å; S149-E152 PolarHBondContact N-OE2 2.9Å; S149-E152 PolarHBondContact O-N 3.18Å; S150-E152 PolarHBondContact O-N 3.08Å; E152-A154 VanDerWaalsContact C-N 3.35Å; E152-A154 PolarHBondContact O-N 3.16Å; E152-N155 PolarHBondContact O-N 3.27Å; E152-A156 WeakPolarHBondContact O-CB 3.2Å; E152-A156 PolarHBondContact O-N 3.4Å
153A94.8Very high93.4Very high0 Ų045.7 Ų45.70%026%0.259CS..Hα-helixtrans-61.1-40.817700000112.5L102 F147 S149 S150 A156 I157 F177L102-A153 HydrophobicContact CD1-CB 4.45Å; L102-A153 HydrophobicContact CD2-CB 3.91Å; L102-A153 HydrophobicContact CG-CB 4.16Å; F147-A153 HydrophobicContact CB-CB 4.22Å; F147-A153 HydrophobicContact CD2-CB 3.98Å; F147-A153 HydrophobicContact CG-CB 4.42Å; S149-A153 PolarHBondContact O-N 2.84Å; S150-A153 WeakPolarHBondContact O-CB 3.15Å; S150-A153 PolarHBondContact O-N 3.47Å; A153-A156 PolarHBondContact O-N 3.45Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 2.83Å; A153-F177 HydrophobicContact CB-CE1 4.25Å
154A94Very high92.6Very high40 Ų4049.3 Ų49.333%0.33128%0.276SS..Hα-helixtrans-65.8-47.1175.300000112.1S150 T151 E152 A156 I157 D158 F177S150-A154 WeakPolarHBondContact O-CB 3.41Å; S150-A154 PolarHBondContact O-N 3.02Å; T151-A154 PolarHBondContact O-N 3.02Å; E152-A154 VanDerWaalsContact C-N 3.35Å; E152-A154 PolarHBondContact O-N 3.16Å; A154-A156 VanDerWaalsContact C-N 3.27Å; A154-A156 PolarHBondContact O-N 2.9Å; A154-I157 PolarHBondContact O-N 2.94Å; A154-I157 VanDerWaalsContact O-N 3.15Å; A154-D158 PolarHBondContact O-N 3.22Å; A154-F177 HydrophobicContact CB-CZ 4.32Å
155N94.6Very high92.1Very high80 Ų8051.8 Ų51.843%0.42829%0.293SS..Hα-helixtrans-59.2-40176.1-69.9-12.3000111.7T151 E152 D158 H159T151-N155 WeakPolarHBondContact O-CB 3.26Å; T151-N155 PolarHBondContact O-N 3.05Å; T151-N155 PolarHBondContact O-ND2 3.49Å; T151-N155 PolarHBondContact O-OD1 2.77Å; E152-N155 PolarHBondContact O-N 3.27Å; N155-D158 PolarHBondContact O-N 3.3Å; N155-H159 PolarHBondContact O-N 3.31Å; N155-H159 VanDerWaalsContact O-N 3.14Å; N155-H159 PolarHBondContact O-ND1 3.46Å
156A95.2Very high91.2Very high0 Ų053 Ų530%030%0.299CS..Hα-helixtrans-66.5-36.4176.200000112.9L102 F120 Y123 F147 E152 A153 A154 M160L102-A156 HydrophobicContact CD1-CB 3.93Å; F120-A156 HydrophobicContact CD1-CB 4.1Å; F120-A156 HydrophobicContact CE1-CB 4.35Å; Y123-A156 HydrophobicContact CG-CB 4.22Å; F147-A156 HydrophobicContact CE2-CB 3.61Å; F147-A156 HydrophobicContact CZ-CB 3.67Å; E152-A156 WeakPolarHBondContact O-CB 3.2Å; E152-A156 PolarHBondContact O-N 3.4Å; A153-A156 PolarHBondContact O-N 3.45Å; A154-A156 VanDerWaalsContact C-N 3.27Å; A154-A156 PolarHBondContact O-N 2.9Å; A156-M160 WeakPolarHBondContact O-CB 3.26Å; A156-M160 PolarHBondContact O-N 2.86Å
157I94.5Very high90.4Very high31 Ų3159.1 Ų59.116%0.15933%0.328CS..Hα-helixtrans-61.1-52.7170.7-67.8163.3000109.7L102 A153 A154 H159 M160 H161 V175 F177L102-I157 HydrophobicContact CD1-CG1 4.17Å; L102-I157 HydrophobicContact CD2-CD1 3.64Å; L102-I157 HydrophobicContact CD2-CG1 3.72Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 2.83Å; A154-I157 PolarHBondContact O-N 2.94Å; A154-I157 VanDerWaalsContact O-N 3.15Å; I157-H159 VanDerWaalsContact C-N 3.27Å; I157-H159 PolarHBondContact O-N 3.49Å; I157-M160 PolarHBondContact O-N 2.95Å; I157-H161 HydrophobicContact CG2-CB 4.32Å; I157-H161 WeakPolarHBondContact O-CB 3.49Å; I157-H161 PolarHBondContact O-N 2.91Å; I157-V175 HydrophobicContact CG1-CG1 3.96Å; I157-F177 HydrophobicContact CD1-CD1 3.85Å; I157-F177 HydrophobicContact CD1-CD2 3.62Å; I157-F177 HydrophobicContact CD1-CE1 3.68Å; I157-F177 HydrophobicContact CD1-CE2 3.44Å; I157-F177 VanDerWaalsContact CD1-CE2 3.44Å; I157-F177 HydrophobicContact CD1-CG 3.82Å; I157-F177 HydrophobicContact CD1-CZ 3.47Å; I157-F177 VanDerWaalsContact CD1-CZ 3.47Å
158D94Very high89.4Confident132 Ų13262.5 Ų62.571%0.70636%0.363SS*.Hα-helixtrans-58.8-38.2-173.5-164.354.3000112.7A154 N155A154-D158 PolarHBondContact O-N 3.22Å; N155-D158 PolarHBondContact O-N 3.3Å
159H91.8Very high88.6Confident97 Ų9761.2 Ų61.245%0.44936%0.355SS..Hα-helixtrans-89.9-28.5-178.4-67.574.5000114.8Y123 N155 I157 S163Y123-H159 HydrophobicContact CD1-CB 3.98Å; Y123-H159 HydrophobicContact CE1-CB 3.3Å; Y123-H159 AromaticContact CE1-CD2 3.98Å; Y123-H159 AromaticContact CE1-CG 3.57Å; N155-H159 PolarHBondContact O-N 3.31Å; N155-H159 VanDerWaalsContact O-N 3.14Å; N155-H159 PolarHBondContact O-ND1 3.46Å; I157-H159 VanDerWaalsContact C-N 3.27Å; I157-H159 PolarHBondContact O-N 3.49Å; H159-S163 VanDerWaalsContact O-CB 3.31Å; H159-S163 WeakPolarHBondContact O-CB 3.16Å; H159-S163 PolarHBondContact O-OG 3.48Å
160M92.4Very high88Confident13 Ų1364.9 Ų64.96%0.06438%0.381CS..Hα-helixtrans-106.7-12.5-175-61.7-79.886.100114.3L119 F120 Y123 A156 I157 N162 S163 V175L119-M160 HydrophobicContact CD1-SD 3.68Å; L119-M160 HydrophobicContact CD2-SD 4.2Å; L119-M160 HydrophobicContact CG-SD 3.74Å; F120-M160 HydrophobicContact CD1-CG 4.38Å; F120-M160 HydrophobicContact CE1-CB 3.92Å; F120-M160 HydrophobicContact CE1-CG 3.93Å; F120-M160 HydrophobicContact CZ-CB 3.96Å; F120-M160 HydrophobicContact CZ-CG 4.16Å; Y123-M160 HydrophobicContact CD2-CG 4.05Å; Y123-M160 HydrophobicContact CE2-CE 4.02Å; Y123-M160 HydrophobicContact CE2-CG 3.57Å; Y123-M160 HydrophobicContact CE2-SD 3.68Å; Y123-M160 VanDerWaalsContact OH-CE 3.3Å; Y123-M160 WeakPolarHBondContact OH-CE 3.32Å; A156-M160 WeakPolarHBondContact O-CB 3.26Å; A156-M160 PolarHBondContact O-N 2.86Å; I157-M160 PolarHBondContact O-N 2.95Å; M160-N162 PolarHBondContact O-N 3.44Å; M160-S163 WeakPolarHBondContact CA-OG 3.25Å; M160-V175 HydrophobicContact CB-CG2 3.74Å; M160-V175 WeakPolarHBondContact O-CG2 3.48Å
161H92.3Very high87.7Confident67 Ų6765.6 Ų65.631%0.3139%0.386SS..THydrogen-bonded Turntrans-68.4125.2170.9-165.982000109.8I157 S163 V175I157-H161 HydrophobicContact CG2-CB 4.32Å; I157-H161 WeakPolarHBondContact O-CB 3.49Å; I157-H161 PolarHBondContact O-N 2.91Å; H161-S163 PolarHBondContact O-N 2.86Å; H161-V175 HydrophobicContact CB-CB 4.42Å; H161-V175 PolarHBondContact ND1-N 3.36Å; H161-V175 PolarHBondContact ND1-O 3.4Å
162N91.5Very high87.6Confident96 Ų9663 Ų6351%0.51337%0.371SS..THydrogen-bonded Turntrans61.2-1.9176-8989.6000117.5M160 P172 L173M160-N162 PolarHBondContact O-N 3.44Å; N162-P172 WeakPolarHBondContact O-CB 3.32Å; N162-L173 PolarHBondContact N-O 2.98Å
163S86.8Confident87.5Confident75 Ų7561.3 Ų61.352%0.52436%0.363SS..THydrogen-bonded Turntrans-86.1-38.9-170.960.60000115.1H159 M160 H161H159-S163 VanDerWaalsContact O-CB 3.31Å; H159-S163 WeakPolarHBondContact O-CB 3.16Å; H159-S163 PolarHBondContact O-OG 3.48Å; M160-S163 WeakPolarHBondContact CA-OG 3.25Å; H161-S163 PolarHBondContact O-N 2.86Å
164Q78Confident87.5Confident77 Ų7763.3 Ų63.336%0.3638%0.375SS..  trans-118.8137.9-179.1-167.6174.560.200112.1L119 M166 P172 L173L119-Q164 VanDerWaalsContact CD1-OE1 3.25Å; Q164-M166 HydrophobicContact CG-SD 4.41Å; Q164-M166 PolarHBondContact OE1-SD 3.05Å; Q164-P172 CarbonylContact O-C 3.54Å; Q164-P172 VanDerWaalsContact O-CA 3.29Å; Q164-P172 WeakPolarHBondContact O-CA 3.39Å; Q164-L173 WeakPolarHBondContact O-CG 3.4Å; Q164-L173 PolarHBondContact O-N 3.44Å
165T82.7Confident87.5Confident76 Ų7661.4 Ų61.447%0.46636%0.359SS..PPolyproline II helixtrans-101.8117.5164.7-60.80000108.4A169 P172T165-A169 HydrophobicContact CG2-CB 4.18Å; T165-A169 WeakPolarHBondContact CG2-O 3.41Å; T165-P172 WeakPolarHBondContact OG1-CA 3.22Å
166M76.8Confident87.5Confident26 Ų2663.3 Ų63.313%0.12836%0.364CS..PPolyproline II helixtrans-70.8154.1179.7-67.2-59.3-77.300111.9L107 Q111 L119 Q164 G168 A169 L173L107-M166 HydrophobicContact CD2-CG 4.43Å; Q111-M166 VanDerWaalsContact CD-CE 3.48Å; Q111-M166 HydrophobicContact CG-CB 4.36Å; Q111-M166 HydrophobicContact CG-CE 4.21Å; L119-M166 HydrophobicContact CD2-CE 4.4Å; L119-M166 HydrophobicContact CD2-SD 3.87Å; Q164-M166 HydrophobicContact CG-SD 4.41Å; Q164-M166 PolarHBondContact OE1-SD 3.05Å; M166-G168 PolarHBondContact O-N 3.15Å; M166-A169 HydrophobicContact CB-CB 4.31Å; M166-A169 WeakPolarHBondContact O-CB 3.44Å; M166-A169 PolarHBondContact O-N 2.99Å; M166-L173 HydrophobicContact CG-CD1 4.07Å; M166-L173 HydrophobicContact CG-CD2 3.89Å; M166-L173 HydrophobicContact CG-CG 4.17Å; M166-L173 HydrophobicContact SD-CD1 4.44Å
167Q76.7Confident87.4Confident174 Ų17467.3 Ų67.381%0.81338%0.381SS*.THydrogen-bonded Turntrans-59125.6173.3-63.3-175.210.800110.2Q111Q111-Q167 PolarHBondContact NE2-O 2.84Å
168G74.5Confident87.3Confident70 Ų7066.6 Ų66.672%0.72238%0.38SS*.THydrogen-bonded Turntrans81.56.5-173.900000115.4M166M166-G168 PolarHBondContact O-N 3.15Å
169A77.2Confident86.9Confident22 Ų2263.3 Ų63.318%0.18236%0.362CS..  trans-96.7145.316700000110.8M106 T165 M166M106-A169 VanDerWaalsContact O-CB 3.25Å; M106-A169 WeakPolarHBondContact O-CB 3.45Å; T165-A169 HydrophobicContact CG2-CB 4.18Å; T165-A169 WeakPolarHBondContact CG2-O 3.41Å; M166-A169 HydrophobicContact CB-CB 4.31Å; M166-A169 WeakPolarHBondContact O-CB 3.44Å; M166-A169 PolarHBondContact O-N 2.99Å
170S78.7Confident86.3Confident123 Ų12360.5 Ų60.586%0.8635%0.352SS*.SBendtrans-96.87.3177.8-1710000113.1
171S87.4Confident85.5Confident51 Ų5164.5 Ų64.536%0.35737%0.37SS..SBendtrans-159.9154.4-173.7-65.80000109.5
172P90.9Very high84.6Confident38 Ų3869.3 Ų69.325%0.24739%0.391CS..  trans-68.7158.5176.630.9-36.8000111.9M106 N162 Q164 T165M106-P172 WeakPolarHBondContact CB-O 3.3Å; N162-P172 WeakPolarHBondContact O-CB 3.32Å; Q164-P172 CarbonylContact O-C 3.54Å; Q164-P172 VanDerWaalsContact O-CA 3.29Å; Q164-P172 WeakPolarHBondContact O-CA 3.39Å; T165-P172 WeakPolarHBondContact OG1-CA 3.22Å
173L93.2Very high84Confident0 Ų068.8 Ų68.80%039%0.385CS..  trans-60.3137.3-176.8-67.3176.9000112.4V104 L107 L119 N162 Q164 M166 V175V104-L173 HydrophobicContact CG1-CD2 4.32Å; L107-L173 HydrophobicContact CD2-CD2 3.66Å; L107-L173 HydrophobicContact CG-CD2 3.95Å; L119-L173 HydrophobicContact CD2-CD1 3.65Å; N162-L173 PolarHBondContact N-O 2.98Å; Q164-L173 WeakPolarHBondContact O-CG 3.4Å; Q164-L173 PolarHBondContact O-N 3.44Å; M166-L173 HydrophobicContact CG-CD1 4.07Å; M166-L173 HydrophobicContact CG-CD2 3.89Å; M166-L173 HydrophobicContact CG-CG 4.17Å; M166-L173 HydrophobicContact SD-CD1 4.44Å; L173-V175 HydrophobicContact CB-CG2 4.33Å
174V93.8Very high83.6Confident42 Ų4269.4 Ų69.426%0.25538%0.376SS..EExtended strand (participates in β ladder)trans-10989178-179.60000108.5G105 M106G105-V174 PolarHBondContact N-O 3.16Å; G105-V174 PolarHBondContact O-N 2.79Å; M106-V174 HydrophobicContact CG-CB 4.41Å; M106-V174 HydrophobicContact CG-CG2 3.69Å
175V94.6Very high83.6Confident0 Ų071.2 Ų71.20%038%0.384CS..EExtended strand (participates in β ladder)trans-93.7126.7-180-171.30000110.1L102 F103 V104 F120 I157 M160 H161 L173L102-V175 HydrophobicContact CB-CG1 4.48Å; L102-V175 HydrophobicContact CD1-CG1 3.75Å; F103-V175 WeakPolarHBondContact O-CA 3.42Å; V104-V175 HydrophobicContact CG1-CG2 4.35Å; V104-V175 HydrophobicContact CG2-CG1 4.45Å; V104-V175 HydrophobicContact CG2-CG2 4.49Å; F120-V175 HydrophobicContact CE1-CG1 3.96Å; F120-V175 HydrophobicContact CE1-CG2 4.14Å; F120-V175 HydrophobicContact CZ-CG1 4.27Å; F120-V175 HydrophobicContact CZ-CG2 3.71Å; I157-V175 HydrophobicContact CG1-CG1 3.96Å; M160-V175 HydrophobicContact CB-CG2 3.74Å; M160-V175 WeakPolarHBondContact O-CG2 3.48Å; H161-V175 HydrophobicContact CB-CB 4.42Å; H161-V175 PolarHBondContact ND1-N 3.36Å; H161-V175 PolarHBondContact ND1-O 3.4Å; L173-V175 HydrophobicContact CB-CG2 4.33Å
176K93.9Very high83.4Confident120 Ų12071.8 Ų71.852%0.52239%0.387SS..EExtended strand (participates in β ladder)trans-147.7163.7176.4-68.3-167.7173.5-168.90110.3L102 F103L102-K176 CarbonylContact C-O 3.55Å; L102-K176 WeakPolarHBondContact CA-O 3.43Å; L102-K176 WeakPolarHBondContact CB-O 3.43Å; F103-K176 PolarHBondContact N-O 2.88Å; F103-K176 PolarHBondContact O-N 3.1Å
177F94.1Very high83.6Confident84 Ų8476 Ų7637%0.36840%0.402SS..EExtended strand (participates in β ladder)trans-54.4140159-60.4-67.3000110D99 L102 A153 A154 I157D99-F177 HydrophobicContact CB-CD1 4.47Å; D99-F177 HydrophobicContact CB-CE1 4.37Å; D99-F177 WeakPolarHBondContact O-CE1 3.47Å; L102-F177 HydrophobicContact CD2-CD1 3.79Å; L102-F177 HydrophobicContact CD2-CE1 4.16Å; L102-F177 HydrophobicContact CD2-CG 4.47Å; A153-F177 HydrophobicContact CB-CE1 4.25Å; A154-F177 HydrophobicContact CB-CZ 4.32Å; I157-F177 HydrophobicContact CD1-CD1 3.85Å; I157-F177 HydrophobicContact CD1-CD2 3.62Å; I157-F177 HydrophobicContact CD1-CE1 3.68Å; I157-F177 HydrophobicContact CD1-CE2 3.44Å; I157-F177 VanDerWaalsContact CD1-CE2 3.44Å; I157-F177 HydrophobicContact CD1-CG 3.82Å; I157-F177 HydrophobicContact CD1-CZ 3.47Å; I157-F177 VanDerWaalsContact CD1-CZ 3.47Å
178A91.5Very high83.7Confident16 Ų1674.2 Ų74.213%0.13239%0.392CS..PPolyproline II helixtrans-77.4133.7-177.400000110.5K101 F103 F144 T180K101-A178 HydrophobicContact CB-CB 4.28Å; K101-A178 HydrophobicContact CG-CB 4.15Å; K101-A178 VanDerWaalsContact O-CB 3.26Å; K101-A178 WeakPolarHBondContact O-CB 3.45Å; K101-A178 PolarHBondContact O-N 3.45Å; F103-A178 HydrophobicContact CB-CB 4.34Å; F144-A178 HydrophobicContact CD1-CB 3.91Å; F144-A178 HydrophobicContact CE1-CB 3.91Å; A178-T180 PolarHBondContact O-N 2.89Å
179D85.8Confident83.8Confident63 Ų6377.9 Ų77.934%0.33739%0.39SS..PPolyproline II helixtrans-56.7131.2172.8-50.8-58.4000110.2R187D179-R187 IonicContact OD1-CZ 2.7Å; D179-R187 IonicContact OD1-NH1 3.21Å; D179-R187 PolarHBondContact OD1-NH1 2.76Å; D179-R187 IonicContact OD1-NH2 3.36Å; D179-R187 PolarHBondContact OD1-NH2 2.98Å; D179-R187 IonicContact OD2-CZ 2.63Å; D179-R187 IonicContact OD2-NH1 3.6Å; D179-R187 PolarHBondContact OD2-NH1 2.97Å; D179-R187 IonicContact OD2-NH2 3.61Å
180T79.6Confident83.7Confident38 Ų3883.3 Ų83.323%0.23341%0.411CS..PPolyproline II helixtrans-55147.1176.272.30000110.1E98 A178 K182 E183 R184E98-T180 HydrophobicContact CG-CG2 4.38Å; E98-T180 VanDerWaalsContact OE1-CB 3.25Å; E98-T180 WeakPolarHBondContact OE1-CB 3.39Å; E98-T180 WeakPolarHBondContact OE1-CG2 3.45Å; A178-T180 PolarHBondContact O-N 2.89Å; T180-K182 PolarHBondContact O-N 3.14Å; T180-K182 VanDerWaalsContact O-N 3.16Å; T180-E183 PolarHBondContact O-N 3.28Å; T180-E183 WeakPolarHBondContact OG1-CB 3.42Å; T180-E183 PolarHBondContact OG1-N 3.36Å; T180-R184 WeakPolarHBondContact O-CB 3.41Å; T180-R184 PolarHBondContact O-N 3.35Å
181E76.3Confident83.2Confident96 Ų9683.8 Ų83.845%0.44940%0.4SS..Hα-helixtrans-62.3-28.3-179.4-173.355.8-134.700111.4R184 Q185E181-R184 PolarHBondContact O-N 3.39Å; E181-R184 WeakPolarHBondContact OE2-CD 3.27Å; E181-R184 IonicContact OE2-CZ 2.81Å; E181-R184 IonicContact OE2-NE 2.97Å; E181-R184 IonicContact OE2-NH1 2.63Å; E181-R184 PolarHBondContact OE2-NH1 2.87Å; E181-Q185 WeakPolarHBondContact O-CB 3.44Å; E181-Q185 VanDerWaalsContact O-CG 3.26Å; E181-Q185 WeakPolarHBondContact O-CG 3.39Å; E181-Q185 PolarHBondContact O-N 3Å
182K73Confident81.9Confident169 Ų16987.5 Ų87.574%0.73541%0.411SS*.Hα-helixtrans-63.8-47.3171-174.1176.9-179.7179.10112.1T180 Q185 V186T180-K182 PolarHBondContact O-N 3.14Å; T180-K182 VanDerWaalsContact O-N 3.16Å; K182-Q185 PolarHBondContact O-N 3.37Å; K182-V186 WeakPolarHBondContact O-CG2 3.43Å; K182-V186 PolarHBondContact O-N 2.67Å; K182-V186 VanDerWaalsContact O-N 3.08Å
183E79.3Confident80.3Confident85 Ų8589.8 Ų89.840%0.39743%0.429SS..Hα-helixtrans-67.6-38.4175.5-174172.8170.500111.6T180 Q185 V186 R187T180-E183 PolarHBondContact O-N 3.28Å; T180-E183 WeakPolarHBondContact OG1-CB 3.42Å; T180-E183 PolarHBondContact OG1-N 3.36Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 2.81Å; E183-V186 PolarHBondContact O-N 2.99Å; E183-R187 HydrophobicContact CG-CG 4.29Å; E183-R187 WeakPolarHBondContact O-CG 3.41Å; E183-R187 PolarHBondContact O-N 2.69Å; E183-R187 IonicContact OE1-CZ 3.12Å; E183-R187 IonicContact OE1-NE 3.43Å; E183-R187 PolarHBondContact OE1-NE 3.16Å; E183-R187 IonicContact OE1-NH2 2.69Å; E183-R187 PolarHBondContact OE1-NH2 2.96Å; E183-R187 IonicContact OE2-NH2 2.68Å
184R76.7Confident78.4Confident87 Ų8794.6 Ų94.633%0.32846%0.458SS..Hα-helixtrans-58-42.7173.8-172.9-179.5-60.1162.2-1.2111.8F144 T180 E181 R187 K188F144-R184 VanDerWaalsContact CZ-NH2 3.29Å; T180-R184 WeakPolarHBondContact O-CB 3.41Å; T180-R184 PolarHBondContact O-N 3.35Å; E181-R184 PolarHBondContact O-N 3.39Å; E181-R184 WeakPolarHBondContact OE2-CD 3.27Å; E181-R184 IonicContact OE2-CZ 2.81Å; E181-R184 IonicContact OE2-NE 2.97Å; E181-R184 IonicContact OE2-NH1 2.63Å; E181-R184 PolarHBondContact OE2-NH1 2.87Å; R184-R187 PolarHBondContact O-N 3.48Å; R184-K188 VanDerWaalsContact O-CB 3.26Å; R184-K188 WeakPolarHBondContact O-CB 3.43Å; R184-K188 PolarHBondContact O-N 3.4Å
185Q78.4Confident76.3Confident115 Ų11597 Ų9754%0.53747%0.473SS..Hα-helixtrans-64.5-43.6174.7-74.4173.125.900112E181 K182 E183 K188 Q189E181-Q185 WeakPolarHBondContact O-CB 3.44Å; E181-Q185 VanDerWaalsContact O-CG 3.26Å; E181-Q185 WeakPolarHBondContact O-CG 3.39Å; E181-Q185 PolarHBondContact O-N 3Å; K182-Q185 PolarHBondContact O-N 3.37Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 2.81Å; Q185-K188 PolarHBondContact O-N 2.81Å; Q185-Q189 WeakPolarHBondContact O-CB 3.36Å; Q185-Q189 PolarHBondContact O-N 2.72Å
186V79.6Confident73.8Confident88 Ų88104.8 Ų104.853%0.53351%0.514SS..Hα-helixtrans-61.4-45.5174.9171.90000111.5K182 E183 Q189 H190K182-V186 WeakPolarHBondContact O-CG2 3.43Å; K182-V186 PolarHBondContact O-N 2.67Å; K182-V186 VanDerWaalsContact O-N 3.08Å; E183-V186 PolarHBondContact O-N 2.99Å; V186-Q189 PolarHBondContact O-N 3.4Å; V186-H190 WeakPolarHBondContact O-CB 3.44Å; V186-H190 PolarHBondContact O-N 3.38Å
187R79.7Confident71.2Confident116 Ų116102.5 Ų102.544%0.43853%0.525SS..Hα-helixtrans-63.3-41175-69.2-173.2-166.7164.99.2111.5D179 E183 R184 H190 Q191D179-R187 IonicContact OD1-CZ 2.7Å; D179-R187 IonicContact OD1-NH1 3.21Å; D179-R187 PolarHBondContact OD1-NH1 2.76Å; D179-R187 IonicContact OD1-NH2 3.36Å; D179-R187 PolarHBondContact OD1-NH2 2.98Å; D179-R187 IonicContact OD2-CZ 2.63Å; D179-R187 IonicContact OD2-NH1 3.6Å; D179-R187 PolarHBondContact OD2-NH1 2.97Å; D179-R187 IonicContact OD2-NH2 3.61Å; E183-R187 HydrophobicContact CG-CG 4.29Å; E183-R187 WeakPolarHBondContact O-CG 3.41Å; E183-R187 PolarHBondContact O-N 2.69Å; E183-R187 IonicContact OE1-CZ 3.12Å; E183-R187 IonicContact OE1-NE 3.43Å; E183-R187 PolarHBondContact OE1-NE 3.16Å; E183-R187 IonicContact OE1-NH2 2.69Å; E183-R187 PolarHBondContact OE1-NH2 2.96Å; E183-R187 IonicContact OE2-NH2 2.68Å; R184-R187 PolarHBondContact O-N 3.48Å; R187-H190 PolarHBondContact O-N 3.37Å; R187-Q191 VanDerWaalsContact O-CB 3.27Å; R187-Q191 WeakPolarHBondContact O-CB 3.07Å; R187-Q191 PolarHBondContact O-N 3.25Å
188K79Confident68.5Low136 Ų136103.5 Ų103.559%0.59154%0.542SS*.Hα-helixtrans-62.7-44.3176.4-174.4177.6179-177.40111.8R184 Q185 Q191 Q192R184-K188 VanDerWaalsContact O-CB 3.26Å; R184-K188 WeakPolarHBondContact O-CB 3.43Å; R184-K188 PolarHBondContact O-N 3.4Å; Q185-K188 PolarHBondContact O-N 2.81Å; K188-Q191 PolarHBondContact O-N 2.86Å; K188-Q192 WeakPolarHBondContact O-CG 3.31Å; K188-Q192 PolarHBondContact O-N 3.4Å
189Q76.5Confident65.8Low147 Ų147107.7 Ų107.769%0.68757%0.57SS**Hα-helixtrans-62.1-43.8175.8-168.6177.324.600111.4Q185 V186 Q192 S193Q185-Q189 WeakPolarHBondContact O-CB 3.36Å; Q185-Q189 PolarHBondContact O-N 2.72Å; V186-Q189 PolarHBondContact O-N 3.4Å; Q189-Q192 PolarHBondContact O-N 2.85Å; Q189-S193 PolarHBondContact O-N 2.93Å; Q189-S193 PolarHBondContact O-OG 2.86Å
190H75.1Confident63.6Low135 Ų135109.9 Ų109.963%0.62559%0.59SS**Hα-helixtrans-71.3-31.3178.2-162.458.4000113.4V186 R187 S193 T194V186-H190 WeakPolarHBondContact O-CB 3.44Å; V186-H190 PolarHBondContact O-N 3.38Å; R187-H190 PolarHBondContact O-N 3.37Å; H190-S193 WeakPolarHBondContact CA-OG 3.29Å; H190-S193 PolarHBondContact O-OG 3.05Å; H190-T194 PolarHBondContact O-OG1 3.06Å
191Q69.6Low61.6Low134 Ų134113.8 Ų113.863%0.62662%0.616SS**Hα-helixtrans-67.7-45.6173.7-166.180.486.400110.7R187 K188 S193 T194R187-Q191 VanDerWaalsContact O-CB 3.27Å; R187-Q191 WeakPolarHBondContact O-CB 3.07Å; R187-Q191 PolarHBondContact O-N 3.25Å; K188-Q191 PolarHBondContact O-N 2.86Å; Q191-S193 VanDerWaalsContact C-N 3.3Å; Q191-S193 PolarHBondContact O-N 3.04Å; Q191-T194 PolarHBondContact O-N 2.81Å
192Q59.7Low59.8Low128 Ų128113.7 Ų113.760%0.59863%0.631SS**Hα-helixtrans-64.3-30.1179.8-74.8-176.4-63.100113.2K188 Q189 T194K188-Q192 WeakPolarHBondContact O-CG 3.31Å; K188-Q192 PolarHBondContact O-N 3.4Å; Q189-Q192 PolarHBondContact O-N 2.85Å; Q192-T194 PolarHBondContact O-N 2.64Å; Q192-T194 VanDerWaalsContact O-N 3.16Å
193S55.9Low58.1Low87 Ų87111.4 Ų111.461%0.60864%0.637SS**THydrogen-bonded Turntrans-68-6.2172.9460000114.9Q189 H190 Q191Q189-S193 PolarHBondContact O-N 2.93Å; Q189-S193 PolarHBondContact O-OG 2.86Å; H190-S193 WeakPolarHBondContact CA-OG 3.29Å; H190-S193 PolarHBondContact O-OG 3.05Å; Q191-S193 VanDerWaalsContact C-N 3.3Å; Q191-S193 PolarHBondContact O-N 3.04Å
194T54.4Low56.1Low100 Ų100110.6 Ų110.661%0.61365%0.651SS**THydrogen-bonded Turntrans-119.56.4-170-40.40000113.5H190 Q191 Q192H190-T194 PolarHBondContact O-OG1 3.06Å; Q191-T194 PolarHBondContact O-N 2.81Å; Q192-T194 PolarHBondContact O-N 2.64Å; Q192-T194 VanDerWaalsContact O-N 3.16Å
195T48.6Very low54.3Low92 Ų92115.2 Ų115.256%0.56468%0.676SS**  trans-100.2-1-179.369.30000115G197T195-G197 PolarHBondContact O-N 3Å
196N42Very low52.1Low164 Ų164115 Ų11588%0.87769%0.688SS**  trans-85.764.9175.5-75.2-2.4000111.2
197G39.5Very low49.9Very low72 Ų72116.3 Ų116.374%0.74270%0.696SS**SBendtrans-154.672.6175.300000108.1T195T195-G197 PolarHBondContact O-N 3Å
198S38.8Very low47.6Very low105 Ų105116.3 Ų116.373%0.73471%0.709SS**  trans-81.1173.4-157.360.60000115.2
199C34Very low45.5Very low105 Ų105116.2 Ų116.271%0.70972%0.72SS**  trans-34.3151.3160.151.30000114
200S39.2Very low43.5Very low108 Ų108112 Ų11276%0.75572%0.716SS**  -153.815852.5-63.40000115.9
201P38.5Very low42Very low120 Ų120114.3 Ų114.378%0.77973%0.729SS**  trans-78.6157.1174.633.7-35.9000113.7
202A37.8Very low40.5Very low94 Ų94113.1 Ų113.178%0.77773%0.731SS**  trans-5.1132167.900000121
203S38.1Very low39.3Very low121 Ų121114.8 Ų114.885%0.84674%0.744SS**  -171.6100.6125.2-83.60000115.5
204G37.6Very low38.6Very low68 Ų68114.1 Ų114.170%0.70175%0.751SS**  trans78.1158135.200000122.9
205H37.9Very low37.8Very low184 Ų184117.6 Ų117.685%0.85276%0.76SS**  trans79.268.6155.2-50.3100.3000121.1
206S32.8Very low37.5Very low112 Ų112120.1 Ų120.178%0.78377%0.769SS**  59.4156.9109.5-158.60000122.9
207T33Very low37Very low115 Ų115120.4 Ų120.471%0.70677%0.771SS**  trans91.494.6146.6-53.10000119
208T32.6Very low36.8Very low116 Ų116119.6 Ų119.671%0.71276%0.762SS**  88100126.3-59.30000121.4
209T34.5Very low36.7Very low133 Ų133120 Ų12082%0.81677%0.765SS**  68119.2122.2-53.10000121.8
210G34.7Very low37Very low59 Ų59123.2 Ų123.261%0.60877%0.769SS**  126123110.100000119.4
211M42.4Very low36.6Very low184 Ų184125.3 Ų125.391%0.90678%0.777SS**  trans65.9156146.5-56.8177.8173.300118.3
212T38.5Very low36.3Very low109 Ų109124.4 Ų124.467%0.66977%0.774SS**  cis-161.7149.7-35.429.50000107.9
213N34.9Very low36Very low163 Ų163127.4 Ų127.487%0.87277%0.774SS**  trans50.2127148.6-55.5-8.6000121.3
214G40Very low35.9Very low72 Ų72130.8 Ų130.874%0.74278%0.777SS**  trans144.1130.9131.600000118.1
215H37.7Very low35.9Very low173 Ų173135.5 Ų135.580%0.80178%0.78SS**  trans60.3122.5169.5-100.465.2000117.2
216L42.2Very low35.8Very low145 Ų145136.8 Ų136.876%0.75978%0.779SS**  cis96.1126.829.9-67.8172.6000115.2
217D32.2Very low36.1Very low171 Ų171138.5 Ų138.591%0.91478%0.779SS**  trans73.9155.8161.5-15116.2000119.7
218G36.3Very low36.3Very low55 Ų55141.3 Ų141.357%0.56779%0.785SS**  trans8673.9178.800000115.1
219S36.3Very low36.6Very low112 Ų112143.4 Ų143.478%0.78379%0.786SS**  78.11288674.70000116.7
220H39.3Very low36.6Very low174 Ų174145.6 Ų145.681%0.80679%0.787SS**  trans73.354.3166.2-92.7-85.5000120.6S222H220-S222 PolarHBondContact O-N 2.85Å
221T31.5Very low36.5Very low151 Ų151148.2 Ų148.293%0.92680%0.796SS**  trans-78.590.1163-52.50000112.6
222S32.5Very low36Very low102 Ų102147 Ų14771%0.71379%0.793SS**  trans-164.125.2163.555.60000116.5H220H220-S222 PolarHBondContact O-N 2.85Å
223M30.6Very low35.6Very low157 Ų157152.5 Ų152.577%0.77380%0.801SS**  trans-130.152.5-173.6-126.2-56.7-73.400115.3
224Q35.5Very low35.6Very low192 Ų192150.3 Ų150.390%0.89779%0.794SS**SBendtrans-146.810.4169.7-123.3173.621.200117.1
225Q38Very low35Very low167 Ų167152 Ų15278%0.7879%0.792SS**  trans-96.822.9173.4-153.4176.11.200113.2
226Y36Very low34.5Very low210 Ų210150 Ų15082%0.82479%0.787SS**THydrogen-bonded Turntrans-96.519.6-171.3-160-105.1000114.7
227N38.8Very low33.8Very low148 Ų148147.4 Ų147.479%0.79178%0.776SS**THydrogen-bonded Turntrans-141.535.1178.6-145.6-14.7000114.4
228Q37.6Very low33.6Very low175 Ų175142.6 Ų142.682%0.81875%0.751SS**SBendtrans-141.121.4176.2-149.8-167.88300114.4
229Q39.6Very low33.2Very low159 Ų159148.1 Ų148.174%0.74377%0.765SS**  trans-137.557.9177.4-66.4-167.1900113.1
230Q34.9Very low32.9Very low180 Ų180146.3 Ų146.384%0.84175%0.75SS**  trans-116.67.1171.1-67.2-151.454.500114.9
231S32.8Very low32.4Very low114 Ų114144.9 Ų144.980%0.79774%0.744SS**  trans-109.115-177.5-47.90000114.9
232L30.8Very low32.2Very low158 Ų158141.7 Ų141.783%0.82773%0.733SS**  trans-11048.5174.8-75.9105.5000113.1
233R30.7Very low32Very low224 Ų224141.9 Ų141.985%0.84573%0.734SS**  trans-122.9104155.6-86.3-176.8165.3-172.5-4.5107.2
234T34.2Very low32Very low118 Ų118142 Ų14272%0.72474%0.738SS**  57.2124.995.5630000112.6
235P28.3Very low31.9Very low108 Ų108141.4 Ų141.470%0.70174%0.737SS**  -145.2150.479.738.6-22.9000118.4
236L26.8Very low31.4Very low131 Ų131137.6 Ų137.669%0.68673%0.734SS**  trans66.6174.9139.8-67.8168.9000120.7
237T27.1Very low30.9Very low89 Ų89134.9 Ų134.955%0.54674%0.739SS.*  trans42.4136144.854.40000121
238N28.1Very low30.4Very low71 Ų71132.9 Ų132.938%0.3874%0.743SS.*  cis-153.4135.7-4.9-92.2-11.4000107.6
239I28.7Very low29.9Very low170 Ų170129.7 Ų129.787%0.87275%0.747SS**  trans-145.860.5161.97.1174.3000111.3
240T29.1Very low29.3Very low74 Ų74127.3 Ų127.345%0.45475%0.754SS.*  -77.4157.7125.9580000108.2R95R95-T240 PolarHBondContact NH1-O 3.14Å
241E28Very low28.9Very low145 Ų145123.7 Ų123.768%0.67876%0.755SS**  cis-125.3153.5-0.8-96.8107.3141.800106.9
242A27.2Very low28.7Very low84 Ų84123.4 Ų123.469%0.69476%0.759SS**  62.713064.300000114.7
243S29.4Very low28.6Very low106 Ų106120.9 Ų120.974%0.74176%0.762SS**  trans62.6107.3164-55.90000119.5
244N31.2Very low28.5Very low160 Ų160115.3 Ų115.386%0.85676%0.763SS**  -166.2156.1104.3-91.4-32.3000112
245M31.9Very low28.3Very low178 Ų178114.8 Ų114.888%0.87777%0.771SS**  trans59.7107.2-172.4-59.2-170.1-66.600114.5
246A28Very low28.3Very low87 Ų87114 Ų11472%0.71977%0.773SS**  cis62.1130.71200000115.6
247V26.5Very low28.5Very low153 Ų153115.8 Ų115.893%0.92778%0.784SS**  trans78.660.9-176.5-162.90000115.5
248A27Very low28.6Very low107 Ų107116.4 Ų116.488%0.88480%0.798SS**SBendtrans-155.616.3164.600000116.2
249A27.3Very low28.7Very low107 Ų107123 Ų12388%0.88482%0.824SS**  trans-150.146.6-170.100000115.5
250A27Very low28.9Very low109 Ų109123.4 Ų123.490%0.90182%0.822SS**  trans-111.912-175.200000115.3
251A27.3Very low28.9Very low104 Ų104128.7 Ų128.786%0.8684%0.841SS**SBendtrans-126.213.3-16100000116.4
252A28Very low29.1Very low108 Ų108126.8 Ų126.889%0.89384%0.844SS**SBendtrans-124.27.1-169.300000116.2
253A29Very low29.2Very low106 Ų106129.6 Ų129.688%0.87685%0.847SS**SBendtrans-123.817.9-167.400000115.4
254A28Very low29.2Very low106 Ų106130.5 Ų130.588%0.87685%0.848SS**  trans-114.614.2-167.400000115.7
255A29.8Very low29.2Very low107 Ų107127.6 Ų127.688%0.88485%0.846SS**SBendtrans-127.643.3-168.900000114.3
256A30Very low29.3Very low91 Ų91124.1 Ų124.175%0.75284%0.839SS**SBendtrans-145.625.3-176.700000115.6
257N29.1Very low29.3Very low170 Ų170127 Ų12791%0.90984%0.842SS**  trans-156.499.6174.8-95.4-45.9000111.6
258A29.8Very low29.8Very low102 Ų102126.8 Ų126.884%0.84383%0.834SS**  trans159.672.8150.800000113.2
259F31.3Very low30.2Very low210 Ų210127 Ų12792%0.92183%0.827SS**  trans-15173.5154.5-152.4-96.9000113.6
260Q31.7Very low30.9Very low178 Ų178128 Ų12883%0.83282%0.824SS**  trans-138.5150.7156.9-76.2-166.6-9.900109.5
261Q30Very low31.3Very low184 Ų184126 Ų12686%0.8681%0.814SS**  trans77.279.5173.6-52.8-17349.400118.4
262S31.2Very low31.5Very low105 Ų105131.9 Ų131.973%0.73482%0.816SS**  -163.1115124.2-152.90000106.8
263L29.5Very low31.8Very low144 Ų144133.4 Ų133.475%0.75481%0.808SS**  57.7126.871.3-55.4169.9000111.7
264V29.8Very low31.9Very low125 Ų125136.2 Ų136.276%0.75880%0.803SS**  cis-160.6160.9-5.4-97.90000108.9
265A30.3Very low32.3Very low99 Ų99139.9 Ų139.982%0.81880%0.8SS**  trans64.3157.9168.200000115.8
266S34Very low33Very low105 Ų105140.8 Ų140.873%0.73480%0.796SS**  cis-149.2123.2-13.732.30000106.5
267N29.3Very low33.7Very low147 Ų147142.2 Ų142.279%0.78680%0.798SS**  71.4145.495.5-161.720.7000114.9
268I37.2Very low34Very low149 Ų149137.2 Ų137.276%0.76479%0.786SS**  trans82.7105177.2-50.3165.4000116.4
269P35.6Very low34.5Very low111 Ų111140.7 Ų140.772%0.72179%0.79SS**  trans-105.8-168.3160.940.8-31.4000111.1
270P41Very low34.9Very low127 Ų127139.2 Ų139.283%0.82578%0.784SS**  -118.6161-65.537.7-25.6000111.9
271G35.5Very low35.6Very low68 Ų68137.2 Ų137.270%0.70179%0.786SS**  trans-170.6116.1175.600000117.8
272Y32.4Very low35.9Very low228 Ų228134.3 Ų134.389%0.89478%0.781SS**  trans47.8140.5135.5-88-87.5000123.8
273L33.3Very low36.2Very low140 Ų140134.2 Ų134.273%0.73379%0.787SS**  trans85.3100.9155.3-64.7168.3000121.4
274Q32.2Very low36.7Very low164 Ų164133.1 Ų133.177%0.76679%0.791SS**  79.2112.7108.9-159.5152.9-77.800122.3
275F36.1Very low37Very low184 Ų184131.7 Ų131.781%0.80779%0.786SS**  trans4.9140.9139.6-67.6-74.3000120
276P43.3Very low37.2Very low125 Ų125134.2 Ų134.281%0.81279%0.786SS**  -138.8166.48036.8-21.7000116.9
277P44.2Very low37.3Very low122 Ų122133.3 Ų133.379%0.79279%0.785SS**  trans-111.3171.8-17541.9-34.4000115
278G36.4Very low37.9Very low64 Ų64131.9 Ų131.966%0.6679%0.786SS**  trans146.5120.914800000117
279L40.1Very low38.1Very low176 Ų176130.5 Ų130.592%0.92179%0.787SS**  174.8131.2111.6-95.8147.9000111.5
280F40.1Very low38.5Very low179 Ų179132.3 Ų132.379%0.78580%0.796SS**  trans-102.2176.3168.5-67.9-87.9000109.8T282F280-T282 HydrophobicContact CB-CG2 4.3Å
281P46.2Very low38.5Very low136 Ų136131.3 Ų131.388%0.88379%0.79SS**  -133.4167.610237.5-29.4000114.8
282T35.2Very low38.2Very low123 Ų123136 Ų13676%0.75580%0.799SS**  trans-133.2144.9-16751.90000113.3F280F280-T282 HydrophobicContact CB-CG2 4.3Å
283A39.1Very low38.4Very low103 Ų103128.7 Ų128.785%0.85179%0.792SS**  trans-167.4146.9157.700000110.6
284S38.5Very low38.6Very low120 Ų120132.4 Ų132.484%0.83980%0.803SS**  cis-153.9161.1-26-158.10000111.2
285S36.7Very low38.6Very low95 Ų95132 Ų13266%0.66480%0.801SS**  trans-77.2152.9-167.653.10000118
286N34.7Very low38.4Very low152 Ų152128.6 Ų128.681%0.81379%0.791SS**  -172.6120.5125.3-93.3-19.1000109.7
287A37Very low38.1Very low86 Ų86128.4 Ų128.471%0.71179%0.793SS**  83.9133.985.700000112.6
288S40.4Very low37.4Very low117 Ų117128.2 Ų128.282%0.81879%0.789SS**  cis-149.4160.417.7-60.20000113.8
289P42.5Very low37Very low120 Ų120131.1 Ų131.178%0.77979%0.794SS**  trans-113.1157.3175.339.9-31.6000115.2
290V43.7Very low36.6Very low149 Ų149131.1 Ų131.190%0.90379%0.789SS**  trans-157.7159.1164.5-98.50000111.3
291P40.3Very low36.2Very low107 Ų107131.3 Ų131.370%0.69579%0.79SS**  trans-135.4178.7-141.245-30.2000118.7
292N29.8Very low35.4Very low167 Ų167132 Ų13289%0.89379%0.793SS**  trans58.7125.7151.6-70.8-3.9000121.3
293G36.6Very low35.4Very low73 Ų73134.7 Ų134.775%0.75380%0.796SS**  trans-16374.3173.300000115.8
294F37.5Very low35.1Very low218 Ų218138.3 Ų138.396%0.95680%0.796SS**  trans66.4148.3164.3-80.8-92.2000121.2
295Q31.5Very low34.9Very low156 Ų156142.2 Ų142.273%0.72980%0.8SS**  trans-130.8165.1-176-160.9-157.811.700108.9
296N32.3Very low34.8Very low112 Ų112146.7 Ų146.760%0.59981%0.811SS**  trans7787.9160.9-52.4-41.7000119.1
297S38Very low34.8Very low121 Ų121147.8 Ų147.885%0.84681%0.811SS**  -162.8110.9120.920.40000107.4
298V28Very low34.6Very low119 Ų119153.1 Ų153.172%0.72182%0.821SS**  cis82.196.846.3-176.60000112.7
299T29.5Very low34.1Very low125 Ų125156.8 Ų156.877%0.76783%0.826SS**  trans80.4145.4158.3-48.60000118.2
300Q31.2Very low33.5Very low175 Ų175156 Ų15682%0.81882%0.823SS**  trans68.2103.4-174.5-49.7-161.670.300114.1
301F31.5Very low32.9Very low184 Ų184158.2 Ų158.281%0.80782%0.823SS**  -154.65.692.2-120.9-85000115.7Q303F301-Q303 VanDerWaalsContact C-N 3.27Å; F301-Q303 PolarHBondContact O-N 3.26Å
302T30.2Very low32.6Very low151 Ų151160.3 Ų160.393%0.92683%0.834SS**SBendtrans-76.365.8-179-46.20000112.8
303Q34.1Very low32.5Very low179 Ų179157 Ų15784%0.83683%0.83SS**  trans-159.545.5169.4-146.9-175.7116.800116.1F301F301-Q303 VanDerWaalsContact C-N 3.27Å; F301-Q303 PolarHBondContact O-N 3.26Å
304Q33.1Very low32.4Very low179 Ų179162.9 Ų162.984%0.83684%0.838SS**SBendtrans-143.517.3173.9-137.3178.927.900117.6
305Q34.2Very low32.1Very low201 Ų201161 Ų16194%0.93983%0.832SS**SBendtrans-13435175.5-155.2176.673.100113.2
306Q35.6Very low32Very low190 Ų190157.8 Ų157.889%0.88884%0.841SS**SBendtrans-140.335.6179.8-153.9174.518.400112.7
307Q34.3Very low31.9Very low175 Ų175158.1 Ų158.182%0.81885%0.852SS**SBendtrans-133.625.8-171.2-128178.338.700114.7
308Q32.3Very low31.5Very low197 Ų197156.3 Ų156.392%0.92185%0.845SS**SBendtrans-138.940.2178.1-160.5155.487.300113.1
309Q30.3Very low31.8Very low195 Ų195156.4 Ų156.491%0.91185%0.85SS**SBendtrans-148.232.3179.9-143.8169.948.800114.1
310S28.6Very low31.8Very low104 Ų104155.4 Ų155.473%0.72786%0.855SS**  trans-154.248.2-171.346.20000115.3
311Q32Very low31.9Very low194 Ų194157.2 Ų157.291%0.90786%0.856SS**  trans-137.252.5169.2-79.8-159.35600114.1
312V33.7Very low32.3Very low151 Ų151156.2 Ų156.292%0.91585%0.852SS**SBendtrans-137.247.1164.1-159.80000110.7
313A29.1Very low33Very low97 Ų97154.5 Ų154.580%0.80284%0.836SS**SBendtrans-139.821.7-172.800000114.5
314Q32.9Very low33.8Very low197 Ų197149.8 Ų149.892%0.92182%0.822SS**SBendtrans-150.550.7178.9-151167.995.700114.5
315Q32.1Very low34.7Very low178 Ų178143.2 Ų143.283%0.83279%0.791SS**  trans-138.728.4166.2-128.8176.72700113.3S317Q315-S317 PolarHBondContact O-N 3.49Å
316G29.9Very low35.6Very low90 Ų90136.7 Ų136.793%0.92877%0.772SS**THydrogen-bonded Turntrans-75.652.8-179.200000114.6
317S30Very low36.1Very low119 Ų119130.9 Ų130.983%0.83276%0.756SS**THydrogen-bonded Turntrans-153.96.4-178.254.30000116.2Q315Q315-S317 PolarHBondContact O-N 3.49Å
318A29.8Very low37.1Very low83 Ų83128.4 Ų128.469%0.68674%0.743SS**SBendtrans-147.942.3-17200000117
319S33.2Very low38.2Very low120 Ų120124.5 Ų124.584%0.83973%0.726SS**  trans-141.651.7171.9-73.70000113.8Y321S319-Y321 PolarHBondContact O-N 3.26Å
320A30.3Very low39Very low105 Ų105118.3 Ų118.387%0.86871%0.709SS**  trans-8147.617400000112.8
321Y32Very low39.8Very low212 Ų212115.9 Ų115.983%0.83169%0.694SS**SBendtrans-147.8140.7177.3-119.9-95.6000111.6S319S319-Y321 PolarHBondContact O-N 3.26Å
322F40.4Very low40.4Very low164 Ų164108.6 Ų108.672%0.71967%0.667SS**SBendtrans66.258.1161-138.7-86.7000119.4
323N45.1Very low40.8Very low114 Ų114104.8 Ų104.861%0.6165%0.652SS**  trans-150.1104.4148.4-154.1-30.3000114.1M325N323-M325 PolarHBondContact O-N 3.26Å; N323-M325 VanDerWaalsContact OD1-CB 3.24Å; N323-M325 WeakPolarHBondContact OD1-CB 3.49Å; N323-M325 PolarHBondContact OD1-N 3.37Å; N323-M325 VanDerWaalsContact OD1-N 3.07Å
324P51.7Low41.6Very low81 Ų81103.9 Ų103.953%0.52664%0.644SS.*Hα-helixtrans-70.5-18.8177.629.8-34.8000113.2F328P324-F328 PolarHBondContact O-N 3.39Å
325M51.6Low42.1Very low41 Ų41101.8 Ų101.820%0.20264%0.636CS.*Hα-helixtrans-68.6-36.6-176.6-157.570.7175.700112.4N323 F328 M329 F747N323-M325 PolarHBondContact O-N 3.26Å; N323-M325 VanDerWaalsContact OD1-CB 3.24Å; N323-M325 WeakPolarHBondContact OD1-CB 3.49Å; N323-M325 PolarHBondContact OD1-N 3.37Å; N323-M325 VanDerWaalsContact OD1-N 3.07Å; M325-F328 PolarHBondContact O-N 3.07Å; M325-M329 HydrophobicContact CE-CE 4.24Å; M325-M329 HydrophobicContact CG-CE 4.2Å; M325-M329 WeakPolarHBondContact O-CG 3.43Å; M325-M329 PolarHBondContact O-N 3.03Å; M325-F747 HydrophobicContact SD-CE2 3.73Å; M325-F747 HydrophobicContact SD-CZ 3.64Å
326A52.5Low42.6Very low63 Ų63101.4 Ų101.452%0.52164%0.635SS.*Hα-helixtrans-66.3-40.1179.800000112.1M329 A330A326-M329 PolarHBondContact O-N 2.93Å; A326-A330 WeakPolarHBondContact O-CB 3.19Å; A326-A330 PolarHBondContact O-N 3.4Å
327A46.8Very low42.9Very low69 Ų69108 Ų10857%0.5763%0.633SS**Hα-helixtrans-65-39173.400000111.7A331A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.4Å; A327-A331 PolarHBondContact O-N 2.86Å
328F54.1Low43.2Very low123 Ų123106.1 Ų106.154%0.53963%0.625SS.*Hα-helixtrans-67.6-41175.5-172.3-99.8000112.6P324 M325 A331 A332P324-F328 PolarHBondContact O-N 3.39Å; M325-F328 PolarHBondContact O-N 3.07Å; F328-A331 PolarHBondContact O-N 3.4Å; F328-A332 HydrophobicContact CE1-CB 4.38Å; F328-A332 WeakPolarHBondContact O-CB 3.34Å; F328-A332 PolarHBondContact O-N 3.01Å
329M56.1Low43.3Very low114 Ų114108.4 Ų108.456%0.56263%0.626SS**Hα-helixtrans-63.5-41.4175.3-74.3179.2170.500112.1M325 A326 A333M325-M329 HydrophobicContact CE-CE 4.24Å; M325-M329 HydrophobicContact CG-CE 4.2Å; M325-M329 WeakPolarHBondContact O-CG 3.43Å; M325-M329 PolarHBondContact O-N 3.03Å; A326-M329 PolarHBondContact O-N 2.93Å; M329-A333 VanDerWaalsContact O-CB 3.32Å; M329-A333 WeakPolarHBondContact O-CB 3.24Å; M329-A333 PolarHBondContact O-N 3.02Å
330A47.7Very low43.6Very low66 Ų66108.3 Ų108.355%0.54562%0.622SS.*Hα-helixtrans-63.9-42.5173.800000112.4A326 A334A326-A330 WeakPolarHBondContact O-CB 3.19Å; A326-A330 PolarHBondContact O-N 3.4Å; A330-A334 WeakPolarHBondContact O-CB 3.32Å; A330-A334 PolarHBondContact O-N 2.84Å; A330-A334 VanDerWaalsContact O-N 3.13Å
331A44.8Very low43.9Very low52 Ų52110.3 Ų110.343%0.4361%0.613SS.*Hα-helixtrans-70.2-38.5178.200000113.1A327 F328 A334 M335A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.4Å; A327-A331 PolarHBondContact O-N 2.86Å; F328-A331 PolarHBondContact O-N 3.4Å; A331-A334 CarbonylContact O-C 3.44Å; A331-A334 PolarHBondContact O-N 3.44Å; A331-M335 PolarHBondContact O-N 3.09Å; A331-M335 VanDerWaalsContact O-N 3.08Å
332A44.5Very low44Very low41 Ų41107.4 Ų107.434%0.33961%0.611SS.*Hα-helixtrans-68.7-42.4177.900000111.7F328 A334 M335 Q336F328-A332 HydrophobicContact CE1-CB 4.38Å; F328-A332 WeakPolarHBondContact O-CB 3.34Å; F328-A332 PolarHBondContact O-N 3.01Å; A332-A334 PolarHBondContact O-N 2.95Å; A332-M335 PolarHBondContact O-N 3.08Å; A332-Q336 PolarHBondContact O-N 2.75Å
333A43.3Very low43.7Very low71 Ų71105 Ų10559%0.58762%0.615SS**Hα-helixtrans-60.7-34.8171.800000112M329 M335M329-A333 VanDerWaalsContact O-CB 3.32Å; M329-A333 WeakPolarHBondContact O-CB 3.24Å; M329-A333 PolarHBondContact O-N 3.02Å; A333-M335 VanDerWaalsContact C-N 3.33Å
334A44.1Very low43Very low78 Ų78106.2 Ų106.265%0.64563%0.627SS**Hα-helixtrans-75.7-13.9174.600000114.5A330 A331 A332A330-A334 WeakPolarHBondContact O-CB 3.32Å; A330-A334 PolarHBondContact O-N 2.84Å; A330-A334 VanDerWaalsContact O-N 3.13Å; A331-A334 CarbonylContact O-C 3.44Å; A331-A334 PolarHBondContact O-N 3.44Å; A332-A334 PolarHBondContact O-N 2.95Å
335M44.8Very low42.1Very low153 Ų153106.1 Ų106.175%0.75464%0.641SS**Hα-helixtrans-101.4-1.7-178.1-82.5-159.4155.600115.4A331 A332 A333 Y337A331-M335 PolarHBondContact O-N 3.09Å; A331-M335 VanDerWaalsContact O-N 3.08Å; A332-M335 PolarHBondContact O-N 3.08Å; A333-M335 VanDerWaalsContact C-N 3.33Å; M335-Y337 VanDerWaalsContact C-N 3.25Å; M335-Y337 PolarHBondContact O-N 2.82Å
336Q41.3Very low41.2Very low170 Ų170112.2 Ų112.279%0.79467%0.672SS**THydrogen-bonded Turntrans-81.85.8175.9-69.4-168.9-46.200114.8A332A332-Q336 PolarHBondContact O-N 2.75Å
337Y38.1Very low40.3Very low229 Ų229115.8 Ų115.890%0.89869%0.688SS**THydrogen-bonded Turntrans-119.950.4172.8-83-81.5000113M335M335-Y337 VanDerWaalsContact C-N 3.25Å; M335-Y337 PolarHBondContact O-N 2.82Å
338A34.4Very low39.6Very low80 Ų80120 Ų12066%0.66170%0.696SS**  trans-137.3100.8168.300000110.3P340A338-P340 WeakPolarHBondContact O-CD 3.08Å
339N33.7Very low38.5Very low131 Ų131121.9 Ų121.970%0.70171%0.712SS**  trans-100.4104.4179.6-179.97.5000110.3Q341N339-Q341 PolarHBondContact O-N 2.99Å; N339-Q341 VanDerWaalsContact O-N 3.12Å
340P38.7Very low37.4Very low118 Ų118123.7 Ų123.777%0.76672%0.719SS**  trans-84.783.5-177.734.4-34000111A338A338-P340 WeakPolarHBondContact O-CD 3.08Å
341Q36.8Very low36.8Very low146 Ų146125.9 Ų125.968%0.68273%0.73SS**  trans-79.9149.5170.3-80.1-62.4-41.300112.6N339N339-Q341 PolarHBondContact O-N 2.99Å; N339-Q341 VanDerWaalsContact O-N 3.12Å
342L34Very low36.5Very low151 Ų151128 Ų12879%0.79174%0.742SS**  trans-52.3140.8-177.4-75.758.4000112.8
343S33.3Very low36.1Very low114 Ų114136.9 Ų136.980%0.79777%0.766SS**  176.9164.692.1-161.20000112.8
344T31.6Very low35.6Very low140 Ų140138.6 Ų138.686%0.85977%0.774SS**  trans-82.1135.3175.450.90000112.2
345G32.2Very low35.3Very low79 Ų79141.2 Ų141.281%0.81478%0.782SS**  trans-170.6102.417300000114.1
346I31.7Very low35.1Very low168 Ų168138.3 Ų138.386%0.86278%0.777SS**  trans-79.3139169.440.4166.4000111.4
347T34.2Very low34.9Very low138 Ų138138 Ų13885%0.84778%0.779SS**  trans177.9135.3139.2-77.30000110.1
348E32.3Very low35.1Very low159 Ų159132.1 Ų132.174%0.74377%0.769SS**  trans-76.3154.1171.2-66165.168.300112.3
349N32Very low35.4Very low162 Ų162135.5 Ų135.587%0.86678%0.775SS**  trans-145.6143.2142.3-145-52000111.5
350Q32.9Very low35.6Very low152 Ų152137 Ų13771%0.7178%0.778SS**  trans-102.1135.9-173.7-57.5176.119.900110.8
351S35.2Very low35.6Very low111 Ų111137.9 Ų137.978%0.77678%0.775SS**  trans-163.2125.3143.8-107.80000117
352S38.3Very low35.6Very low98 Ų98136.7 Ų136.769%0.68577%0.774SS**  77.2110.9128.1-62.30000121.5
353R34.6Very low35.7Very low227 Ų227134.3 Ų134.386%0.85777%0.765SS**  trans75.8110.9141.7-64.9178173.4-169.5-3.9117.3
354S34.3Very low36Very low107 Ų107135.7 Ų135.775%0.74876%0.762SS**  74.5125.288.4-55.40000112.4
355T38Very low36.3Very low132 Ų132134.9 Ų134.981%0.8176%0.757SS**  -156.3169.659.1-60.30000112.5
356S39.2Very low36.5Very low93 Ų93136.3 Ų136.365%0.6576%0.755SS**  trans-63.1167.2178.651.80000114.3
357I38.2Very low37Very low162 Ų162137.3 Ų137.383%0.83176%0.755SS**  -158.4144.377.7-78.5152.7000111.4
358P42.2Very low37.5Very low106 Ų106136.2 Ų136.269%0.68875%0.75SS**  trans-120.4159.4-177.141.6-31.8000116.9
359L40.3Very low38.2Very low152 Ų152134.7 Ų134.780%0.79675%0.752SS**  trans-149.5126.5150.1-70.7-178.3000106.8
360Q38.5Very low38.8Very low163 Ų163135.9 Ų135.976%0.76276%0.755SS**  53.6127.979.6-62.4-157.5-65.300113.7
361L38.5Very low39.3Very low135 Ų135132.2 Ų132.271%0.70776%0.757SS**  cis-164.4179.6-0.4-141.470.3000107.1
362N36.1Very low39.5Very low122 Ų122134 Ų13465%0.65276%0.763SS**  cis-165.3176.23.6-158.96.8000111
363T36.7Very low39.6Very low100 Ų100133.3 Ų133.361%0.61376%0.764SS**  trans50.8132.1136.4-87.60000121.1
364I38.6Very low39.8Very low143 Ų143129.9 Ų129.973%0.73376%0.757SS**  cis-158163.616.717.5-171.9000113.9
365V37.9Very low40Very low123 Ų123131.6 Ų131.675%0.74575%0.753SS**  trans59.3113.9157.2176.80000116.7
366S37.2Very low40.2Very low109 Ų109133.6 Ų133.676%0.76275%0.753SS**  cis89.8117.431.5-51.30000115.5
367H41Very low40Very low190 Ų190136.2 Ų136.288%0.8876%0.76SS**  trans-85.5152.6178.9-65.1-117.1000112.8
368P45.8Very low40.5Very low114 Ų114132.8 Ų132.874%0.7475%0.748SS**  trans-96.4147.4164.836.1-31.1000112.7
369T47.3Very low40.4Very low127 Ų127134.9 Ų134.978%0.77975%0.752SS**  163.3113129.2-720000113.1
370M44.4Very low40.4Very low188 Ų188134 Ų13493%0.92675%0.753SS**  trans49.4137144.7-61.3-78.5-85.500123
371G44Very low40.4Very low74 Ų74129 Ų12976%0.76375%0.747SS**  trans120.5101.714000000116.9
372V37.8Very low40.3Very low148 Ų148129.3 Ų129.390%0.89775%0.754SS**  trans-136.3154.6174178.20000109.8
373A40.2Very low40.4Very low84 Ų84128 Ų12869%0.69475%0.754SS**  trans75.8144.1-17900000114.9
374H40.1Very low40.5Very low156 Ų156131.8 Ų131.872%0.72277%0.765SS**  cis-163.9163.2-2.3-121.139.1000107.3
375Q38.2Very low40.5Very low143 Ų143129.4 Ų129.467%0.66876%0.76SS**  cis-164.6-171.2-4.3-146.9-176.95.200109.2
376H41.3Very low40.5Very low173 Ų173130.4 Ų130.480%0.80177%0.767SS**  trans79.6158.7160.5-88.7-155.7000120.8
377N36.1Very low40.9Very low149 Ų149130.9 Ų130.980%0.79777%0.767SS**  trans-166.7-167.4-145.7-152.511000106.4
378P47.5Very low40.5Very low89 Ų89129.2 Ų129.258%0.57877%0.765SS**  cis-126.8-156.4-2627.2-2.9000113.1
379L40.4Very low40.1Very low150 Ų150127.1 Ų127.179%0.78576%0.757SS**  trans104.1138.3154.2-57.6175.4000117.4
380T40.3Very low39.4Very low133 Ų133126.8 Ų126.882%0.81676%0.76SS**  cis-173.2151.6-32.715.20000109.3
381G38.1Very low38.9Very low60 Ų60122.3 Ų122.362%0.61975%0.753SS**  trans110.6120.6165.200000114.6
382T38.1Very low38.2Very low141 Ų141127.2 Ų127.287%0.86576%0.761SS**  67.3130.665.264.20000113.3
383S38.2Very low38Very low93 Ų93124.7 Ų124.765%0.6576%0.755SS**  cis-174.6155.813.634.30000112.9
384H38.9Very low37.6Very low181 Ų181125.5 Ų125.584%0.83876%0.756SS**  trans52.1149.5147.5-67-57.9000120.7
385S36.9Very low37.2Very low92 Ų92125.6 Ų125.664%0.64376%0.761SS**  cis-172.4129.7-2.243.10000113.2
386V38.4Very low36.8Very low144 Ų144123.3 Ų123.387%0.87377%0.766SS**  trans41.9159.2145.7-79.90000123.7
387P45.8Very low36.4Very low119 Ų119120.4 Ų120.477%0.77377%0.772SS**  trans-124.7-166.1-148.346.4-34.3000115.2
388N32.9Very low36.3Very low156 Ų156117 Ų11783%0.83477%0.772SS**  166.9165.9125-166.920.4000113.3
389A37.8Very low35.6Very low70 Ų70118.8 Ų118.858%0.57979%0.785SS**  trans86.792.1149.600000122.6
390S33Very low35.5Very low120 Ų120117.8 Ų117.884%0.83979%0.788SS**  74.9149.4113.7-57.20000124.2
391A34Very low35.2Very low93 Ų93115.6 Ų115.677%0.76978%0.783SS**  trans68.7127.8172.600000116.6
392L28.6Very low35.1Very low178 Ų178118.8 Ų118.893%0.93279%0.791SS**  cis73.574.939-66176.6000115.8
393A33.5Very low35Very low94 Ų94117.4 Ų117.478%0.77778%0.783SS**  trans-175.3160149.900000107.8
394S31.8Very low34.8Very low102 Ų102120 Ų12071%0.71379%0.788SS**  cis-173.3163-27.1-94.10000107
395L31.7Very low34.7Very low158 Ų158119.3 Ų119.383%0.82779%0.785SS**  trans39.1109.2147-63.5166.4000120
396A30.4Very low34.5Very low94 Ų94121.1 Ų121.178%0.77779%0.788SS**  38.9142.7117.900000122.5
397A32Very low34.3Very low112 Ų112120.6 Ų120.693%0.92678%0.78SS**  trans77.7142.9166.400000117.4
398G35Very low33.9Very low77 Ų77121.2 Ų121.279%0.79478%0.782SS**  trans127.493.117700000114.1
399C31.5Very low34.2Very low128 Ų128121.2 Ų121.287%0.86578%0.781SS**  trans-77.6152.7152.8-64.40000108.4
400P39.7Very low34.5Very low128 Ų128123.2 Ų123.283%0.83179%0.788SS**  -143.4167.896.737.1-22.6000114.6
401A32.8Very low34.7Very low88 Ų88126 Ų12673%0.72779%0.788SS**  trans-86.3-179.8169.200000111.8
402T36.1Very low34.8Very low126 Ų126129.4 Ų129.477%0.77379%0.792SS**  169.9105.6127.5-73.20000114.2
403T35.8Very low34.9Very low113 Ų113125 Ų12569%0.69378%0.782SS**  trans62.3138.8142.962.40000127
404L35.5Very low35.2Very low148 Ų148125.6 Ų125.678%0.77578%0.78SS**  trans66152.9137.4-65.9165.4000119.2
405Q34.9Very low35.4Very low166 Ų166128.6 Ų128.678%0.77679%0.788SS**  cis-143.4150.7-3.7-100.6141.6-52.500106.5
406N33.4Very low35.5Very low130 Ų130129.5 Ų129.570%0.69579%0.785SS**  cis102.7128.338.6-163.835000114.3
407N33.8Very low36.1Very low132 Ų132130.9 Ų130.971%0.70679%0.786SS**  trans66.9154.4-178.3-59.5-29.6000116.6
408T38.9Very low36.3Very low133 Ų133131.9 Ų131.982%0.81678%0.775SS**  cis-149.1167.813.5-26.60000112.9
409L39Very low36.6Very low155 Ų155133.8 Ų133.881%0.81277%0.772SS**  trans-86.3-168.2178.4-71.489.2000113.4
410P43.4Very low36.8Very low113 Ų113134.5 Ų134.573%0.73477%0.767SS**  -135.9172.5-66.440.3-25.1000114
411Q37.8Very low36.5Very low178 Ų178134.3 Ų134.383%0.83276%0.763SS**  trans-166.1126.5147.6-127.9-169.84900115.9
412L35.7Very low36.5Very low164 Ų164134.3 Ų134.386%0.85976%0.763SS**  161.6149.6124-91165000111.1
413A31.3Very low36.3Very low86 Ų86136.2 Ų136.271%0.71177%0.768SS**  trans-145.7-172.3-173.200000111.4
414S38.2Very low36.2Very low107 Ų107138.9 Ų138.975%0.74878%0.777SS**  trans76.1143.1-166.580.80000113.3
415L36.5Very low36.1Very low165 Ų165136.8 Ų136.886%0.86478%0.775SS**  cis-124.2150.614.9-72.3151.1000113.4
416F34.5Very low36.2Very low177 Ų177134.5 Ų134.578%0.77677%0.774SS**  trans-98.2163.1163.9-77.6-91.9000109.7L418F416-L418 HydrophobicContact CB-CG 4.29Å
417P41.5Very low36.1Very low123 Ų123133.3 Ų133.380%0.79978%0.782SS**  -120152.678.81.520.8000111.9
418L36.2Very low36.1Very low133 Ų133132.4 Ų132.470%0.69679%0.793SS**  cis109126.224.3-82168.3000112.5F416F416-L418 HydrophobicContact CB-CG 4.29Å
419T42.7Very low35.7Very low117 Ų117134.2 Ų134.272%0.71880%0.797SS**  trans59.1145.1161.442.10000118.5
420D34.4Very low35.3Very low142 Ų142131 Ų13176%0.75979%0.793SS**  cis-115158.11.5-83.3-49.4000110.8
421V33.8Very low34.9Very low124 Ų124130 Ų13075%0.75279%0.794SS**  cis91.8137.833178.50000114.2
422A32.4Very low34.7Very low88 Ų88128.9 Ų128.973%0.72779%0.793SS**  trans86.4147.7175.900000119.2
423L32.6Very low34.5Very low167 Ų167125.9 Ų125.987%0.87478%0.782SS**  trans57.594.6177-49.8-175.2000115.2
424L34Very low34.6Very low169 Ų169130.4 Ų130.489%0.88579%0.788SS**  cis71.696.724.6-146.979.7000115.3
425S32.5Very low34.5Very low104 Ų104132 Ų13273%0.72779%0.793SS**  trans-90179.4158.585.20000110.1
426P37.5Very low34.4Very low117 Ų117127.6 Ų127.676%0.7679%0.787SS**  cis-132.2153.6-10.437-21.5000114.4
427A32.3Very low34.3Very low106 Ų106124.7 Ų124.788%0.87680%0.796SS**  trans-169.1108154.500000113.2
428A32.5Very low34Very low112 Ų112122.4 Ų122.493%0.92679%0.794SS**  trans-157.657.3164.600000110.6
429L31.8Very low33.8Very low171 Ų171120.9 Ų120.990%0.89580%0.801SS**  trans-104.7144178.8-176.267.2000110.3
430A30.1Very low33.6Very low89 Ų89122.3 Ų122.374%0.73681%0.81SS**  trans72.294.6167.500000119.1
431A34.4Very low33.6Very low92 Ų92122.3 Ų122.376%0.7682%0.815SS**  -124.1112129.900000106.2
432L33Very low33.6Very low154 Ų154120.1 Ų120.181%0.80682%0.818SS**  70.2132.376.4-64.2165.8000111.9
433T33.4Very low33.5Very low101 Ų101119.4 Ų119.462%0.6282%0.819SS**  cis-173.7165.7-5.4-113.40000110.5
434Q33.4Very low33.5Very low181 Ų181118.7 Ų118.785%0.84682%0.815SS**  trans66.8157.2166.1-87.8165.35.800116.7
435V34.4Very low33.5Very low141 Ų141117.8 Ų117.886%0.85581%0.81SS**  cis-135.3150.6-14.6178.10000105.4
436G34.3Very low33.6Very low72 Ų72117.3 Ų117.374%0.74280%0.803SS**  cis172.2176-1.700000110.1
437A32.6Very low33.5Very low115 Ų115120.2 Ų120.295%0.9581%0.807SS**  trans-100.5146.4-177.900000112.4
438G35Very low33.7Very low75 Ų75120 Ų12077%0.77381%0.805SS**  trans-159.271.5-178.600000112.9
439A32.5Very low33.9Very low102 Ų102117.9 Ų117.984%0.84379%0.793SS**PPolyproline II helixtrans-85.8119.8169.200000109.6
440V38.6Very low34.2Very low147 Ų147116.5 Ų116.589%0.89179%0.792SS**PPolyproline II helixtrans-99.5134.8171.3-80.10000110.5
441T34.7Very low34.6Very low142 Ų142118 Ų11887%0.87180%0.797SS**PPolyproline II helixtrans-95.2126.5-164.9-480000112.8
442G33.1Very low34.8Very low78 Ų78116.6 Ų116.680%0.80479%0.792SS**  trans66.9140.8140.200000119.8
443G31.9Very low35Very low73 Ų73116.2 Ų116.275%0.75379%0.79SS**  trans158.287.9162.800000117.2
444L32.4Very low35.1Very low151 Ų151117.5 Ų117.579%0.79179%0.793SS**  62.4105123.5-164.971.2000119.9
445L33.9Very low35.1Very low150 Ų150116.5 Ų116.579%0.78579%0.789SS**  trans70.1154.9153.2-55.9172.4000116.6
446T33.9Very low35.3Very low95 Ų95118 Ų11858%0.58378%0.784SS**  cis-165.6156-15.1-98.60000109.1
447E35.7Very low35.4Very low178 Ų178121 Ų12183%0.83278%0.783SS**  trans63120.5170.5-80.3169.6134.700116.5
448A36.5Very low35.3Very low101 Ų101123 Ų12384%0.83578%0.778SS**  99.4137.366.700000111.5
449G35.6Very low35.4Very low67 Ų67123.5 Ų123.569%0.69177%0.774SS**  cis171.1-167.3-5.900000112.4
450V39.4Very low35.5Very low143 Ų143129.1 Ų129.187%0.86778%0.78SS**  trans81.8135.4164.1-173.30000118.7
451S37.2Very low35.4Very low121 Ų121125.8 Ų125.885%0.84678%0.776SS**  trans68.6128.1168.7-69.20000119.9
452G38.4Very low35.5Very low62 Ų62126.3 Ų126.364%0.63978%0.779SS**  cis160.2137.6-14.300000116.1
453N38.5Very low35.6Very low146 Ų146126.3 Ų126.378%0.78178%0.779SS**  trans68.5108.9159.2-50-29.5000117
454N35.9Very low35.7Very low127 Ų127130.8 Ų130.868%0.67979%0.785SS**  72106.582.2-6313.3000112.1
455E32.7Very low35.9Very low161 Ų161131 Ų13175%0.75279%0.786SS**  86.116266.3-81-160.793.300114.5
456F38.7Very low35.9Very low171 Ų171129.5 Ų129.575%0.7578%0.783SS**  trans73.4138.1179.2-62.8-96.7000117
457N35.6Very low35.8Very low137 Ų137130.2 Ų130.273%0.73379%0.792SS**  cis-157.4163.8-28.2-145.7-63.3000109.1
458N30.4Very low35.8Very low156 Ų156126.1 Ų126.183%0.83479%0.788SS**  trans-116.2113.6179.5-17610.9000110.7
459A36.9Very low35.8Very low85 Ų85126.7 Ų126.770%0.70279%0.786SS**  trans-142129.2-177.500000113.5
460F35.5Very low36.1Very low220 Ų220129.6 Ų129.697%0.96579%0.793SS**  trans-35.1148.7167.7-65.9-104.3000116.7
461G37.4Very low36Very low78 Ų78128.1 Ų128.180%0.80479%0.789SS**  trans170.7102.915800000115.6
462T35.4Very low35.8Very low153 Ų153128.6 Ų128.694%0.93979%0.786SS**  trans-71.2126.5164.247.60000110.6
463G36.4Very low35.8Very low77 Ų77133.4 Ų133.479%0.79480%0.796SS**  trans-168.9123.2175.200000114.2
464L34.3Very low35.6Very low168 Ų168131.2 Ų131.288%0.8879%0.792SS**  trans-70.5141.2171.2-70.1147.7000110.9
465L35.9Very low35.8Very low155 Ų155131.5 Ų131.581%0.81280%0.801SS**  160.1124.1118.1-83.7168.4000114.6
466V34.2Very low36.1Very low119 Ų119129.2 Ų129.272%0.72180%0.803SS**  62.4107129.41770000121.4
467S30.8Very low35.8Very low110 Ų110126.9 Ų126.977%0.76981%0.808SS**  trans97.7154.2130.177.40000123.3
468A36.2Very low35.8Very low91 Ų91130.6 Ų130.675%0.75282%0.817SS**  trans71.791.1153.800000120.2
469S35.6Very low36.1Very low114 Ų114126.6 Ų126.680%0.79781%0.806SS**  trans-65.6160.3149.5-37.10000111.7
470P42.2Very low35.8Very low128 Ų128127.7 Ų127.783%0.83181%0.809SS**  -129.5168.7129.237-29.2000113.2
471S37.7Very low35.9Very low112 Ų112125.8 Ų125.878%0.78381%0.807SS**  trans-107.2165.1-160-54.40000115.8
472T34Very low35.7Very low130 Ų130125.2 Ų125.280%0.79880%0.801SS**  trans-43.5143.7170.3-42.70000115.4
473I37.3Very low35.8Very low164 Ų164125.9 Ų125.984%0.84180%0.799SS**  trans-130.1131.6160.5-64.8-179.5000109.2
474S34.1Very low36Very low99 Ų99125.2 Ų125.269%0.69279%0.792SS**  trans-93148176.8-53.80000111.7
475P41.5Very low36.2Very low133 Ų133123.6 Ų123.686%0.86479%0.789SS**  trans-87.9129.3175.533.2-31.9000112.4
476S37.3Very low36.4Very low114 Ų114121.3 Ų121.380%0.79779%0.786SS**  trans-143.4130.3161.959.70000111.4
477S33.9Very low36.7Very low122 Ų122124.9 Ų124.985%0.85380%0.795SS**  trans7.9109.8167.2-53.90000119.7
478F34.8Very low37.1Very low214 Ų214122.6 Ų122.694%0.93979%0.789SS**  -146.5168.2129.8-141-102.4000112.7
479A36.6Very low37.3Very low72 Ų72126.2 Ų126.260%0.59579%0.791SS**  trans-97.7162.7-162.600000115.1
480S31.4Very low37.4Very low109 Ų109128.2 Ų128.276%0.76279%0.787SS**  trans44.6115.3144.8-58.50000120.5
481I36.8Very low37.2Very low179 Ų179126.6 Ų126.692%0.91878%0.779SS**  -163.8150.7114.7-97.4151.5000107.7
482G33.8Very low37.2Very low67 Ų67127.1 Ų127.169%0.69178%0.777SS**  trans-132.8165.8-170.300000115.8
483N37.2Very low37.3Very low167 Ų167125.6 Ų125.689%0.89377%0.772SS**  trans-145145.8157.8-96.5-34.9000104.7
484G39.9Very low37.2Very low62 Ų62125.4 Ų125.464%0.63977%0.771SS**  cis99116.130.700000108.4
485T39.5Very low37.3Very low134 Ų134125.6 Ų125.682%0.82277%0.772SS**  cis-161.1170.47.1-39.40000110.7
486S39.9Very low37.1Very low108 Ų108125 Ų12576%0.75577%0.771SS**  trans78.3146.3162.982.10000118.1
487Q39.2Very low37.2Very low193 Ų193124.7 Ų124.790%0.90277%0.769SS**  cis-158.1162.4-15-123.5-168.234.500111.5
488G39.4Very low37.4Very low63 Ų63125.4 Ų125.465%0.64977%0.769SS**  trans111.192.1174.400000113.4
489Q40.4Very low37.5Very low167 Ų167119.1 Ų119.178%0.7876%0.764SS**  64.5129.986.9-65.8-165.217.900114.2
490Q38.6Very low37.5Very low155 Ų155121.1 Ų121.172%0.72477%0.774SS**  cis-159.6146.58.8-123.317988.700111.4
491S38.1Very low37.7Very low95 Ų95122.1 Ų122.166%0.66478%0.775SS**  trans39142.1148.557.20000122.3
492V38Very low37.7Very low122 Ų122121.4 Ų121.474%0.73977%0.772SS**  cis-162.2136.92.7-99.90000107.3
493S35.1Very low38.1Very low98 Ų98123.6 Ų123.669%0.68577%0.774SS**  50.5145.291.882.50000116.2
494I36.6Very low37.9Very low161 Ų161122.8 Ų122.883%0.82677%0.77SS**  cis-142.4165.622.3-62.4171.5000111.4
495S34.6Very low37.8Very low102 Ų102125 Ų12571%0.71377%0.771SS**  trans-89177.6-176-350000117.3
496S37.9Very low37.6Very low121 Ų121123.6 Ų123.685%0.84677%0.766SS**  trans80.8156.3164.185.60000116.9
497S39.5Very low37.8Very low107 Ų107124.4 Ų124.475%0.74877%0.769SS**  cis-149.5-176.78670000113.9
498T37.6Very low37.7Very low138 Ų138118.7 Ų118.785%0.84776%0.762SS**  trans-57.3149.2-176.8490000117.6
499G37.1Very low37.7Very low82 Ų82120.4 Ų120.485%0.84577%0.77SS**  trans-162.1103.5170.300000115.7
500S36Very low37.7Very low114 Ų114119.1 Ų119.180%0.79777%0.773SS**  trans-82.1151.4-168.6-55.70000117.6
501V36.3Very low37.9Very low130 Ų130115.2 Ų115.279%0.78877%0.767SS**  trans67.2121.5139170.20000120.7
502L36.5Very low37.9Very low164 Ų164118 Ų11886%0.85978%0.775SS**  177.6150.4122.2-95178.7000112.3
503P42.9Very low38Very low112 Ų112118.9 Ų118.973%0.72777%0.774SS**  trans-113.9-175.817341-32.4000114.4
504N33.8Very low38.2Very low150 Ų150120.4 Ų120.480%0.80277%0.774SS**  trans103.7124.8150-153.951.7000120.7
505V36.7Very low38.4Very low110 Ų110118.3 Ų118.367%0.66777%0.769SS**  trans76107.5143.9157.30000123.4
506S36.4Very low38.8Very low103 Ų103118.2 Ų118.272%0.7277%0.768SS**  trans71.6-172.7130.9-49.50000120.7
507P43.5Very low39.2Very low126 Ų126117.6 Ų117.682%0.81876%0.764SS**  -140169.8-83.343.6-27.7000118.1
508G37.4Very low39.8Very low73 Ų73118.7 Ų118.775%0.75377%0.768SS**  trans104168.6136.200000120.7
509A39.2Very low40Very low98 Ų98115.5 Ų115.581%0.8176%0.763SS**  trans67.1143.3177.100000116.2
510T40.8Very low40.2Very low140 Ų140120 Ų12086%0.85976%0.764SS**  cis-166.4171.4-6.911.80000107.7
511A42.9Very low40.6Very low73 Ų73120.8 Ų120.860%0.60376%0.764SS**  cis-165.6169.4-1.100000110.1
512N37.7Very low40.9Very low154 Ų154120.9 Ų120.982%0.82476%0.764SS**  trans68.1141.6162.6-59.5-9.4000117.2
513I39.1Very low41.3Very low141 Ų141118 Ų11872%0.72376%0.756SS**  cis-168.8164-0.8-114.7-64.3000106
514L39.4Very low41.2Very low130 Ų130119.5 Ų119.568%0.68176%0.762SS**  cis-144.914114.7-142.7117000106.7
515V41.3Very low41.4Very low117 Ų117116 Ų11671%0.70975%0.754SS**  43.9129.298.3159.50000116.3
516S44Very low41.5Very low99 Ų99115.8 Ų115.869%0.69276%0.758SS**  cis-158.1153.9-3.6-95.50000109.7
517S44.4Very low41.9Very low109 Ų109117.3 Ų117.376%0.76276%0.763SS**  cis77.715346.4-89.50000115.8
518P52.1Low42.2Very low129 Ų129117 Ų11784%0.83876%0.761SS**  cis-145.9-177.8-17.540.8-21.7000117
519G41.7Very low42.7Very low72 Ų72119.2 Ų119.274%0.74276%0.762SS**  trans125.2144.6151.100000117.4
520M41.8Very low42.6Very low176 Ų176120.6 Ų120.687%0.86776%0.761SS**  cis-159.4161.9-7.8-142.9-160.6-61.500112.9
521V44.4Very low42.6Very low131 Ų131120.4 Ų120.479%0.79476%0.759SS**  trans63.4113.4163-63.50000123.4
522T42.1Very low42.4Very low131 Ų131122.2 Ų122.280%0.80477%0.767SS**  trans-95-158.1155.448.20000109.8
523P45.4Very low42.8Very low105 Ų105120.4 Ų120.468%0.68276%0.764SS**  cis-135.3-169.5-25.728.1-4.4000114.6
524V40.3Very low42.6Very low142 Ų142118 Ų11886%0.86177%0.765SS**  trans78.6154.1140.4113.30000118.7
525A37.9Very low42.7Very low77 Ų77119.4 Ų119.464%0.63677%0.771SS**  cis-151.4157.7-1.500000113.8
526S39Very low42.5Very low105 Ų105121.3 Ų121.373%0.73478%0.777SS**  trans31.3124.4143-51.40000123.2
527T46.2Very low42.1Very low136 Ų136121.4 Ų121.483%0.83478%0.775SS**  166.1139.8106.736.50000114.1
528P49.4Very low41.6Very low119 Ų119121.5 Ų121.577%0.77378%0.776SS**  trans-119.1153.1146.537-28.6000110.9
529P48.3Very low41Very low120 Ų120120.5 Ų120.578%0.77977%0.769SS**  -155.4166.2100.340.1-21.9000118
530T35.7Very low40.5Very low127 Ų127124 Ų12478%0.77977%0.77SS**  trans-3.7133.4145.5-49.40000120.8
531V41.4Very low40.1Very low136 Ų136121.5 Ų121.582%0.82476%0.764SS**  -156.4138.8129.3165.70000110.3
532S38.9Very low39.4Very low111 Ų111121.6 Ų121.678%0.77676%0.76SS**  trans-124.4148.6163-53.40000109.4
533P45.1Very low39.1Very low115 Ų115123.6 Ų123.675%0.74776%0.76SS**  -141.3148.5102.819.82.4000112.9
534A36.1Very low39.2Very low90 Ų90123.5 Ų123.574%0.74476%0.76SS**  78.7162.566.100000115
535I40.4Very low39.1Very low160 Ų160123.1 Ų123.182%0.82176%0.757SS**  trans88.7134.1-173.3-56.3167.4000114.5
536L37.3Very low39.2Very low158 Ų158122.3 Ų122.383%0.82776%0.757SS**  cis-157.2166.8-26.3-99.2-176.8000108
537P37.1Very low39.2Very low101 Ų101125.1 Ų125.166%0.65676%0.763SS**  trans-113.1168.9-16940.8-33.2000117.2
538S33.4Very low38.8Very low110 Ų110128.8 Ų128.877%0.76976%0.763SS**  trans70.6171.1165.20.60000116.9
539P40Very low38.1Very low108 Ų108126.8 Ų126.870%0.70176%0.757SS**  cis-134.2-179.2-16.136.4-16.9000115.1
540I30.2Very low37.6Very low147 Ų147125.2 Ų125.275%0.75475%0.754SS**  trans10.8128.3145.3-47.5155.5000118.8
541T33.7Very low37.5Very low123 Ų123123.7 Ų123.776%0.75575%0.754SS**  169.7126.3125.3-70.80000115.2
542N30.1Very low37.1Very low133 Ų133123.2 Ų123.271%0.71175%0.751SS**  trans-1.1134.4152.4-43.7-18.2000123.2
543E34.1Very low36.8Very low172 Ų172122.4 Ų122.480%0.80475%0.751SS**  56.5-176120.4-67.4-68.3115.400120.5
544P48.5Very low36.4Very low103 Ų103124.2 Ų124.267%0.66975%0.753SS**  cis-132.8-170.4-9.223.42.7000115.8
545V38.6Very low36.3Very low134 Ų134127.5 Ų127.581%0.81275%0.754SS**  trans82.1131.5155.6-162.10000117.1
546G40.3Very low35.9Very low61 Ų61126.1 Ų126.163%0.62975%0.748SS**  cis158.7-158.3-4.900000113.7
547L38.6Very low36.2Very low164 Ų164124.1 Ų124.186%0.85974%0.744SS**  trans80.2129.8-176.7-52.9173000114.9
548Y37.6Very low35.9Very low213 Ų213125.1 Ų125.184%0.83575%0.748SS**  cis-153.2163.3-4.1-164.2-113.6000113.9
549A34.6Very low35.7Very low77 Ų77124.3 Ų124.364%0.63675%0.749SS**  trans-54.6-179.8-170.900000118.2
550A38Very low35.2Very low87 Ų87125.9 Ų125.972%0.71976%0.756SS**  cis-152.2151.212.600000111
551A32.7Very low35.1Very low95 Ų95121.9 Ų121.979%0.78575%0.751SS**  57.8143.988.100000114.8
552V33.7Very low35.1Very low126 Ų126123.9 Ų123.976%0.76475%0.752SS**  cis-148.6119.922.9171.50000107.6
553A31.8Very low35.2Very low94 Ų94123.4 Ų123.478%0.77775%0.754SS**  71.2164.692.600000118.5
554L37.3Very low35.2Very low152 Ų152122.3 Ų122.380%0.79675%0.754SS**  trans93.9123167.8-63.8172.7000121.7
555Q34.9Very low35.2Very low160 Ų160122.1 Ų122.175%0.74875%0.752SS**  trans66.2111.2140.6-106.962-10.800124.2
556N30.8Very low34.9Very low131 Ų131123.5 Ų123.570%0.70176%0.755SS**  trans-49.4145.3139.3-176.428.8000111.2T558N556-T558 PolarHBondContact OD1-N 3.01Å
557P43.7Very low34.6Very low115 Ų115124.1 Ų124.175%0.74775%0.754SS**  -145.2154.2104.938.6-25000116.2
558T30.4Very low34.8Very low122 Ų122123.7 Ų123.775%0.74875%0.752SS**  trans-69.2133.3157.549.70000112N556N556-T558 PolarHBondContact OD1-N 3.01Å
559A30.4Very low34.6Very low94 Ų94121.2 Ų121.278%0.77775%0.748SS**  trans-174.7119.9144.800000115.4
560V29.2Very low34.6Very low140 Ų140126.6 Ų126.685%0.84876%0.757SS**  trans15.1123.4136.8-164.10000121.1
561G29Very low34.6Very low64 Ų64127.4 Ų127.466%0.6676%0.755SS**  trans87.2167.515000000117.3
562H33.9Very low34.4Very low164 Ų164130.4 Ų130.476%0.75975%0.753SS**  cis-164.3144.5-12-108.1115.4000109.7
563T31.2Very low34.5Very low124 Ų124132.8 Ų132.876%0.76176%0.761SS**  trans61.3168.9161.158.90000117.2
564N34.4Very low34.5Very low149 Ų149136 Ų13680%0.79776%0.759SS**  cis-142.4169.90.2-132.714.2000110.4
565P47.3Very low34.7Very low99 Ų99133 Ų13364%0.64375%0.749SS**  trans-118.7-176.7-15844.9-38.2000115.7
566N33.9Very low34.5Very low162 Ų162130 Ų13087%0.86675%0.746SS**  trans-176.8152.5139.7-94-19.8000109.7
567A33.9Very low34.4Very low74 Ų74133.8 Ų133.861%0.61276%0.756SS**  cis-165.6166.6-21.900000109.4
568L41.6Very low33.6Very low155 Ų155132.5 Ų132.581%0.81276%0.755SS**  trans71.7140.7169.5-45.6177.6000117.8
569Q34.9Very low33.4Very low161 Ų161131.5 Ų131.575%0.75276%0.76SS**  cis-156.3121.5-31.5-162.4153.4-72.300112
570F32.7Very low33.2Very low190 Ų190131.4 Ų131.483%0.83376%0.759SS**  trans13.1156.5136.3-73.2-109.4000121.3
571P38.7Very low33Very low104 Ų104129.3 Ų129.368%0.67576%0.756SS**  cis-149.2171.5-24.739.8-20.4000118.4
572Q29.1Very low32.9Very low159 Ų159130.5 Ų130.574%0.74376%0.76SS**  trans3.5134.3138.1-175.8-163.758.200120
573L35.3Very low32.5Very low176 Ų176127.7 Ų127.792%0.92177%0.765SS**  trans-133155.4132.6-81.8-176.5000110.4
574H31.2Very low32.3Very low160 Ų160126 Ų12674%0.74176%0.764SS**  trans-139.4-156.6-171.6-159.2-137.7000109.6
575P42.3Very low31.9Very low91 Ų91123.7 Ų123.759%0.59177%0.765SS**  -107.3-174.1-113.541.5-28.4000115.2
576S30.5Very low31Very low97 Ų97122.4 Ų122.468%0.67876%0.763SS**  trans99.1163.8156.6-40.30000118.2
577F28.2Very low30.8Very low209 Ų209123.3 Ų123.392%0.91776%0.762SS**  trans70.7146.7177.5-63.7-96.4000116.8
578A27.2Very low30.6Very low88 Ų88125.1 Ų125.173%0.72777%0.77SS**  cis-165.1170.3-24.200000111.7
579A26.6Very low30.1Very low102 Ų102125.4 Ų125.484%0.84377%0.77SS**  trans-42.8139.6175.500000118
580A26.7Very low30Very low91 Ų91123.5 Ų123.575%0.75277%0.769SS**  -166131.4125.700000106.6
581A25.2Very low30.4Very low97 Ų97119.8 Ų119.880%0.80276%0.764SS**  57.9139.25000000112.7
582A25.5Very low30Very low89 Ų89120.6 Ų120.674%0.73677%0.772SS**  cis-172.1174.5-17.800000105.5
583A25.8Very low30.5Very low104 Ų104118.8 Ų118.886%0.8677%0.774SS**  trans62.8164.3170.700000115
584A26.4Very low30.4Very low89 Ų89117.1 Ų117.174%0.73677%0.771SS**  cis-162.6175.8-3000000107.8
585A26.9Very low30.5Very low100 Ų100117 Ų11783%0.82678%0.776SS**  trans68.6152.6159.400000116.5
586A28.4Very low29.9Very low73 Ų73119.4 Ų119.460%0.60379%0.789SS**  cis-160.4144.2-18.700000111
587Q28.8Very low29.9Very low180 Ų180118.7 Ų118.784%0.84179%0.789SS**  trans58.8149.2136.2-61.4171.659.200121
588S30.8Very low30.3Very low113 Ų113116 Ų11679%0.7978%0.783SS**  trans81.5141.2160.580.90000119.6
589M30.4Very low30.6Very low161 Ų161119.2 Ų119.279%0.79379%0.788SS**  cis-166112.6-37.8-111.1-149.8-178.900108.7
590T33.2Very low30.8Very low120 Ų120118.6 Ų118.674%0.73678%0.778SS**  trans68174.8131.4750000117.5
591P40.2Very low31.1Very low112 Ų112124.3 Ų124.373%0.72778%0.781SS**  -136.6-178.9-113.129.7-3.4000115.3
592S31.5Very low31.5Very low122 Ų122127.1 Ų127.185%0.85378%0.782SS**  trans-168.5139.4137.3-84.90000112
593P39.7Very low32Very low120 Ų120128.3 Ų128.378%0.77978%0.781SS**  trans-104.5145.4176.937.5-31.1000113.4
594V32.3Very low32.3Very low141 Ų141131 Ų13186%0.85578%0.775SS**  trans-153.7154.3159.6-93.70000110.1
595N33.2Very low32.7Very low159 Ų159133.1 Ų133.185%0.8577%0.774SS**  trans66.948.7172.5-87.22.9000119.3
596T31.1Very low33.1Very low140 Ų140132.1 Ų132.186%0.85977%0.766SS**  trans-107.768.2152.3-510000110.1
597A30.1Very low33.5Very low83 Ų83132.3 Ų132.369%0.68677%0.768SS**  trans-156.172.1-176.700000113.6
598L36Very low34.1Very low151 Ų151130.4 Ų130.479%0.79176%0.762SS**SBendtrans-164.4-36.9158.8-117.5169.6000114.4S600L598-S600 PolarHBondContact O-N 2.9Å; L598-S600 VanDerWaalsContact O-N 3.09Å
599N32.6Very low34.5Very low157 Ų157132.7 Ų132.784%0.8476%0.76SS**THydrogen-bonded Turntrans-76.911.3-176.1-91.64.3000115.8
600S31.8Very low34.7Very low89 Ų89128.3 Ų128.362%0.62275%0.75SS**THydrogen-bonded Turntrans-111.514.6-172.1-49.50000114.5L598L598-S600 PolarHBondContact O-N 2.9Å; L598-S600 VanDerWaalsContact O-N 3.09Å
601Y32.5Very low34.8Very low210 Ų210125.8 Ų125.882%0.82474%0.741SS**SBendtrans-124.912.6-171.6-128.3-97.7000115.3
602L34Very low34.6Very low157 Ų157123.8 Ų123.882%0.82273%0.734SS**SBendtrans-120.1-6.6-178.3-82.6146.1000114.1
603T35.5Very low34.9Very low114 Ų114124.5 Ų124.570%0.69973%0.728SS**SBendtrans-97.6-17.3-173-44.10000113.4
604E32.4Very low34.7Very low159 Ų159122.4 Ų122.474%0.74372%0.72SS**THydrogen-bonded Turntrans-88.9-12.5-165.7-151.4168.2171.500114.8
605N35.5Very low34.9Very low135 Ų135119 Ų11972%0.72271%0.708SS**THydrogen-bonded Turntrans-92.6-11.2178.7-78.6-55000114.7
606A35.6Very low35Very low78 Ų78114.7 Ų114.765%0.64569%0.694SS**SBendtrans-75.8-26.8-176.600000113.8
607A35.7Very low35.2Very low78 Ų78111.9 Ų111.965%0.64569%0.685SS**Hα-helixtrans-73.3-31.4-172.400000114.1
608L42.5Very low35.3Very low139 Ų139112.4 Ų112.473%0.72869%0.689SS**Hα-helixtrans-81.3-18.8-173.6-81.4163.2000114.1
609Q39Very low35.1Very low161 Ų161109.4 Ų109.475%0.75269%0.686SS**Hα-helixtrans-87.8-22.3-177.1-155.4152.519.300113.4
610A33.2Very low35.3Very low69 Ų69107.4 Ų107.457%0.5768%0.684SS**Hα-helixtrans-70.8-36.7173.900000112.8A612 L613 A614A610-A612 VanDerWaalsContact C-N 3.34Å; A610-A612 PolarHBondContact O-N 2.81Å; A610-L613 PolarHBondContact O-N 2.85Å; A610-A614 PolarHBondContact O-N 3.14Å
611A35.8Very low35.2Very low67 Ų67106 Ų10655%0.55468%0.684SS**Hα-helixtrans-65.5-35-179.200000113.1
612A36.2Very low35.4Very low70 Ų70104.4 Ų104.458%0.57968%0.684SS**Hα-helixtrans-68.4-33.4179.200000113A610A610-A612 VanDerWaalsContact C-N 3.34Å; A610-A612 PolarHBondContact O-N 2.81Å
613L37.2Very low35.1Very low137 Ų137100.8 Ų100.872%0.71767%0.672SS**Hα-helixtrans-78.5-34.4-177.8-16168000112.2A610 A615 A616A610-L613 PolarHBondContact O-N 2.85Å; L613-A615 VanDerWaalsContact C-N 3.26Å; L613-A615 PolarHBondContact O-N 3.12Å; L613-A616 PolarHBondContact O-N 3.4Å
614A36.6Very low35Very low76 Ų76104.8 Ų104.863%0.62868%0.68SS**Hα-helixtrans-63.2-31.1174.900000113A610A610-A614 PolarHBondContact O-N 3.14Å
615A36.7Very low35Very low71 Ų71102.3 Ų102.359%0.58768%0.676SS**Hα-helixtrans-71.1-26.5177.600000113.7L613L613-A615 VanDerWaalsContact C-N 3.26Å; L613-A615 PolarHBondContact O-N 3.12Å
616A35.9Very low34.6Very low67 Ų67102.9 Ų102.955%0.55468%0.679SS**Hα-helixtrans-74.3-29.4-178.700000113.2L613 A618 A619L613-A616 PolarHBondContact O-N 3.4Å; A616-A618 PolarHBondContact O-N 3.18Å; A616-A619 PolarHBondContact O-N 3.39Å
617A33.9Very low34.5Very low82 Ų82105.7 Ų105.768%0.67868%0.683SS**THydrogen-bonded Turntrans-71.4-11.7-178.500000114.2
618A32.8Very low34.6Very low93 Ų93107.5 Ų107.577%0.76969%0.689SS**THydrogen-bonded Turntrans-87.20.1-179.800000114.3A616A616-A618 PolarHBondContact O-N 3.18Å
619A32.6Very low34.4Very low88 Ų88107.7 Ų107.773%0.72769%0.689SS**SBendtrans-99.4-9.3-166.400000115.9A616A616-A619 PolarHBondContact O-N 3.39Å
620S36Very low34.6Very low115 Ų115105.4 Ų105.480%0.80469%0.685SS**  trans-107.653-172.963.40000113.8
621G29.9Very low35Very low61 Ų61110.7 Ų110.763%0.62970%0.698SS**  trans-98.8102.2177.600000113.3
622Q36Very low35.1Very low176 Ų176115.5 Ų115.582%0.82271%0.709SS**  trans-149.7149.9160.4-64.1-61.1-14.800109.3
623S27.6Very low35.2Very low81 Ų81119.7 Ų119.757%0.56672%0.721SS**  cis166.384.2-25.6-93.40000107
624F34.1Very low35Very low198 Ų198123.9 Ų123.987%0.86873%0.729SS**  trans-149.387.3168.2-75.8-68.7000108.1
625T31.3Very low35.3Very low107 Ų107124.5 Ų124.566%0.65673%0.734SS**  80.811684.956.40000115.2
626N28.9Very low35.1Very low147 Ų147124.5 Ų124.579%0.78674%0.741SS**  trans66.7119.4165.8-47.6-23.7000115.5
627D33.1Very low35.5Very low137 Ų137129.6 Ų129.673%0.73376%0.758SS**  cis-152.1150.847.2-89.6-42.6000114.2I629D627-I629 PolarHBondContact O-N 2.89Å
628P37.6Very low35.5Very low116 Ų116134.8 Ų134.875%0.75377%0.768SS**  trans-89.58-167.335.7-37.9000117
629I39Very low35.6Very low143 Ų143134.3 Ų134.373%0.73376%0.764SS**SBendtrans-93.6-26.4-168.5-67.2178000114.1D627 H631D627-I629 PolarHBondContact O-N 2.89Å; I629-H631 PolarHBondContact O-N 3.18Å
630V42.5Very low35.6Very low112 Ų112141.3 Ų141.368%0.67977%0.773SS**G310 helixtrans-76.4-26.3-170.6-174.90000113.5Q632 L633V630-Q632 VanDerWaalsContact C-N 3.26Å; V630-Q632 PolarHBondContact O-N 3.14Å; V630-Q632 VanDerWaalsContact O-N 3.14Å; V630-L633 PolarHBondContact O-N 3.26Å
631H41.5Very low35.3Very low181 Ų181139 Ų13984%0.83877%0.767SS**G310 helixtrans-69.7-10.7-170.8-99.879.6000116I629I629-H631 PolarHBondContact O-N 3.18Å
632Q38.9Very low35.3Very low168 Ų168144.4 Ų144.479%0.78578%0.781SS**G310 helixtrans-77.8-23.4175.2-85.9-87.17.300113.6V630 Y634V630-Q632 VanDerWaalsContact C-N 3.26Å; V630-Q632 PolarHBondContact O-N 3.14Å; V630-Q632 VanDerWaalsContact O-N 3.14Å; Q632-Y634 PolarHBondContact O-N 3.08Å
633L37.5Very low35.1Very low157 Ų157139.9 Ų139.982%0.82277%0.773SS**THydrogen-bonded Turntrans-89.71.4-166.2-74.6170000115.7V630V630-L633 PolarHBondContact O-N 3.26Å
634Y33.3Very low35.3Very low225 Ų225146.6 Ų146.688%0.88279%0.788SS**THydrogen-bonded Turntrans-118.49.4-176.8-147.8-101.7000114.8Q632Q632-Y634 PolarHBondContact O-N 3.08Å
635A41.5Very low35.6Very low89 Ų89142.6 Ų142.674%0.73678%0.782SS**SBendtrans-95.7-1.2-176.600000114.9
636G34.4Very low35.6Very low71 Ų71144.3 Ų144.373%0.73279%0.792SS**  trans-118.959.4-160.800000116.7
637L43.9Very low35.7Very low175 Ų175141.2 Ų141.292%0.91680%0.795SS**  trans-155.362.2169-113.4160.9000112.9
638Q33.3Very low35.6Very low191 Ų191138.4 Ų138.489%0.89380%0.799SS**  trans-137.579.8178.1-85.5-84.12.900110.4
639A34Very low35.3Very low82 Ų82136.3 Ų136.368%0.67880%0.798SS**  trans-164.6151.4170.100000112.4
640Y32.7Very low34.8Very low236 Ų236134.6 Ų134.693%0.92581%0.806SS**  trans64.3128.3176.2-59.5-87.5000117
641G30.4Very low34.5Very low65 Ų65138.5 Ų138.567%0.6781%0.809SS**  cis-179.6129.9-900000116.1
642L30.2Very low34.2Very low175 Ų175135.9 Ų135.992%0.91681%0.806SS**  trans56.7128.6134.9-58174000123.5
643A30.9Very low33.9Very low81 Ų81132.6 Ų132.667%0.66980%0.798SS**  trans89.296.3137.100000122.8
644Y33Very low33.8Very low222 Ų222133.8 Ų133.887%0.87180%0.797SS**  32.3159.3122.3-47.1-63.5000123.1
645P40.3Very low34Very low114 Ų114127.6 Ų127.674%0.7478%0.784SS**  cis-131.3155.51.834.5-15000117.9
646T29.8Very low33.7Very low143 Ų143129.2 Ų129.288%0.87778%0.78SS**  trans17.7121142.6-47.90000120.8
647G32.8Very low34.1Very low82 Ų82132.4 Ų132.485%0.84578%0.78SS**  trans-1507178.500000119.6
648G29.4Very low34.2Very low79 Ų79131.6 Ų131.681%0.81477%0.771SS**  trans79.3164.2171.200000117.5
649G31.2Very low34.9Very low72 Ų72130.3 Ų130.374%0.74277%0.765SS**  trans101121.9-179.300000113.6
650A28.5Very low35.1Very low107 Ų107132.1 Ų132.188%0.88476%0.759SS**  trans-97.6114.7-176.400000112.3
651Y37.3Very low35.6Very low193 Ų193124.8 Ų124.876%0.75775%0.747SS**  trans-151.6135.9159.144.8-89.3000109.4T653Y651-T653 PolarHBondContact O-N 3.12Å
652T35.5Very low36.5Very low126 Ų126128.9 Ų128.977%0.77375%0.753SS**  trans-81.587.5-175.938.60000111.1F654T652-F654 WeakPolarHBondContact O-CD2 3.15Å; T652-F654 PolarHBondContact O-N 2.9Å
653T31.2Very low37Very low99 Ų99124.3 Ų124.361%0.60774%0.736SS**  trans-59.1113.1176.7-65.20000112Y651 P655Y651-T653 PolarHBondContact O-N 3.12Å; T653-P655 HydrophobicContact CG2-CG 3.68Å; T653-P655 WeakPolarHBondContact O-CD 3.46Å
654F37.1Very low37.3Very low183 Ų183127.6 Ų127.680%0.80374%0.739SS**  trans-113.286.5173.1-82.8-80.8000112.2T652T652-F654 WeakPolarHBondContact O-CD2 3.15Å; T652-F654 PolarHBondContact O-N 2.9Å
655P36.6Very low37.5Very low94 Ų94122.7 Ų122.761%0.6173%0.734SS**  trans-117.690.1178.337.2-21.9000111.5T653T653-P655 HydrophobicContact CG2-CG 3.68Å; T653-P655 WeakPolarHBondContact O-CD 3.46Å
656N35.8Very low37.5Very low124 Ų124123.1 Ų123.166%0.66374%0.735SS**SBendtrans-168.3-55.3150.8-117.8-86.7000113.8H658 H659N656-H658 VanDerWaalsContact C-N 3.28Å; N656-H658 PolarHBondContact O-N 2.78Å; N656-H659 PolarHBondContact O-N 2.69Å
657L41.3Very low37.8Very low138 Ų138125.3 Ų125.372%0.72374%0.735SS**G310 helixtrans-58.1-29.9-161.8-113.868.1000115.9H659 Q660L657-H659 VanDerWaalsContact C-N 3.28Å; L657-H659 PolarHBondContact O-N 3.43Å; L657-Q660 PolarHBondContact O-N 2.69Å
658H47.4Very low37.7Very low158 Ų158130.3 Ų130.373%0.73174%0.736SS**G310 helixtrans-70.5-16.5-176.5-63.2112.8000114.9N656N656-H658 VanDerWaalsContact C-N 3.28Å; N656-H658 PolarHBondContact O-N 2.78Å
659H47.1Very low38.1Very low164 Ų164135.7 Ų135.776%0.75974%0.737SS**G310 helixtrans-87.4-16.6178.5-82.286000114.1N656 L657N656-H659 PolarHBondContact O-N 2.69Å; L657-H659 VanDerWaalsContact C-N 3.28Å; L657-H659 PolarHBondContact O-N 3.43Å
660Q38.9Very low37.9Very low120 Ų120141.1 Ų141.156%0.56174%0.743SS**G310 helixtrans-83.5-20.4-177.6-69.6-177.5-46.200113.7L657 L662 S663L657-Q660 PolarHBondContact O-N 2.69Å; Q660-L662 PolarHBondContact O-N 2.83Å; Q660-S663 PolarHBondContact O-N 3.12Å; Q660-S663 PolarHBondContact O-OG 2.81Å
661A44.1Very low38Very low82 Ų82139.6 Ų139.668%0.67874%0.738SS**G310 helixtrans-68.1-20.3179.800000113.9
662L49.1Very low38.1Very low150 Ų150135.7 Ų135.779%0.78574%0.735SS**G310 helixtrans-100.24.4179.8-60.5177.5000113.2Q660Q660-L662 PolarHBondContact O-N 2.83Å
663S39Very low38.6Very low80 Ų80140.5 Ų140.556%0.55974%0.739SS**  trans-128.740.1-173.571.50000113.5Q660Q660-S663 PolarHBondContact O-N 3.12Å; Q660-S663 PolarHBondContact O-OG 2.81Å
664M38.7Very low39.4Very low149 Ų149142.1 Ų142.173%0.73474%0.739SS**  trans-87.9121.3170.4-71.3-102.882.500110.1V666M664-V666 PolarHBondContact O-N 2.95Å
665P35.7Very low40.3Very low119 Ų119140.3 Ų140.377%0.77374%0.737SS**  trans-75.188.6176.430.7-34000110.7Q667P665-Q667 PolarHBondContact O-N 3.38Å
666V40.6Very low41.5Very low124 Ų124137.9 Ų137.975%0.75272%0.719SS**  trans-60.1118.3168.4176.20000108.5M664 Q668M664-V666 PolarHBondContact O-N 2.95Å; V666-Q668 PolarHBondContact O-N 3.02Å; V666-Q668 VanDerWaalsContact O-N 3.12Å
667Q36.3Very low43Very low188 Ų188137.5 Ų137.588%0.87972%0.716SS**  trans-61119.6174.2-74.5-159.81400109.7P665 K669P665-Q667 PolarHBondContact O-N 3.38Å; Q667-K669 PolarHBondContact O-N 2.83Å
668Q31.2Very low44.7Very low187 Ų187134.8 Ų134.887%0.87471%0.705SS**  trans-72.299.9-171.3-67.1170.3-58.300110.6V666V666-Q668 PolarHBondContact O-N 3.02Å; V666-Q668 VanDerWaalsContact O-N 3.12Å
669K37.4Very low46.2Very low193 Ų193127.8 Ų127.884%0.83968%0.676SS**  trans-96.393163.9-162.1159.9-169.9163.80109.4Q667Q667-K669 PolarHBondContact O-N 2.83Å
670E27.5Very low47.8Very low185 Ų185123.5 Ų123.586%0.86466%0.663SS**THydrogen-bonded Turntrans-36.4131.2179.4-150.677-146.100113.6
671G31.3Very low49.8Very low75 Ų75126.5 Ų126.577%0.77368%0.677SS**THydrogen-bonded Turntrans115.8-16.2161.600000118.3
672T38.2Very low51.8Low112 Ų112123.8 Ų123.869%0.68766%0.657SS**  trans-78.8126.5-178.6-49.50000111.8L675T672-L675 HydrophobicContact CG2-CD1 4.44Å
673R46.8Very low53.8Low227 Ų227116.9 Ų116.986%0.85762%0.621SS**  trans-63.5135174-57168.184.6149.54.1108.8L675R673-L675 PolarHBondContact O-N 3.21Å
674E47.5Very low56.4Low133 Ų133113.6 Ų113.662%0.62160%0.597SS**  trans-45.1110-174.3-62.2170.9118.300112.5I676 K713E674-I676 VanDerWaalsContact C-N 3.26Å; E674-I676 PolarHBondContact O-N 3.01Å; E674-K713 VanDerWaalsContact CD-NZ 3.29Å; E674-K713 IonicContact OE1-NZ 3.63Å; E674-K713 PolarHBondContact OE1-NZ 3.26Å; E674-K713 WeakPolarHBondContact OE2-CE 3.48Å; E674-K713 IonicContact OE2-NZ 2.69Å; E674-K713 PolarHBondContact OE2-NZ 2.95Å; E674-K713 VanDerWaalsContact OE2-NZ 3.12Å
675L55.2Low59.1Low144 Ų144106.5 Ų106.575%0.75456%0.562SS**  trans-7586.4170.3-73.9165.7000107.5T672 R673 L677T672-L675 HydrophobicContact CG2-CD1 4.44Å; R673-L675 PolarHBondContact O-N 3.21Å; L675-L677 WeakPolarHBondContact O-CD1 3.41Å; L675-L677 PolarHBondContact O-N 3.47Å
676I63.6Low61.9Low44 Ų44103.4 Ų103.423%0.22654%0.537CS..  trans-59.8105.5170.7-58.6173.5000107.1E674 T678 S711 K713 F728E674-I676 VanDerWaalsContact C-N 3.26Å; E674-I676 PolarHBondContact O-N 3.01Å; I676-T678 PolarHBondContact O-N 2.81Å; I676-S711 WeakPolarHBondContact CG2-OG 3.49Å; I676-K713 HydrophobicContact CD1-CB 3.84Å; I676-K713 HydrophobicContact CD1-CG 3.94Å; I676-K713 HydrophobicContact CG1-CB 4.26Å; I676-K713 HydrophobicContact CG1-CG 4.45Å; I676-F728 HydrophobicContact CG2-CD1 3.59Å; I676-F728 HydrophobicContact CG2-CE1 3.52Å
677L66.3Low64.4Low115 Ų11597.5 Ų97.560%0.60250%0.501SS*.  trans-62.2109175.3-83.581.6000108.6L675 I710 S711L675-L677 WeakPolarHBondContact O-CD1 3.41Å; L675-L677 PolarHBondContact O-N 3.47Å; L677-I710 HydrophobicContact CB-CG2 3.59Å; L677-I710 HydrophobicContact CD2-CG2 4.4Å; L677-I710 WeakPolarHBondContact O-CG2 3.16Å; L677-S711 WeakPolarHBondContact O-CB 3.45Å
678T77.8Confident67.2Low81 Ų8192.2 Ų92.250%0.49747%0.473SS..  trans-88.2116.3171.654.70000108.7I676 F728I676-T678 PolarHBondContact O-N 2.81Å; T678-F728 HydrophobicContact CG2-CE1 4.24Å; T678-F728 HydrophobicContact CG2-CZ 4.03Å
679G77Confident70.2Confident12 Ų1287.8 Ų87.812%0.12445%0.453CS..  trans-64.5-178.8166.100000112.3N684 S730G679-N684 PolarHBondContact O-ND2 3.39Å; G679-S730 WeakPolarHBondContact CA-OG 3.38Å; G679-S730 PolarHBondContact N-OG 3.15Å
680P82.7Confident72.8Confident74 Ų7478.6 Ų78.648%0.48141%0.413SS..SBendtrans-58.1159.4-171.616.1-25.2000113.8C683 N684 D732P680-C683 HydrophobicContact CG-CB 4.34Å; P680-C683 WeakPolarHBondContact O-CB 3.32Å; P680-C683 PolarHBondContact O-N 3.38Å; P680-N684 PolarHBondContact O-ND2 2.9Å; P680-D732 VanDerWaalsContact CG-O 3.24Å; P680-D732 WeakPolarHBondContact CG-O 3.11Å
681E80.6Confident75.8Confident182 Ų18270.2 Ų70.285%0.8537%0.374SS*.THydrogen-bonded Turntrans-57.4150.9177.763.6177.7171.100111.7C683E681-C683 PolarHBondContact O-N 3.44Å; E681-C683 VanDerWaalsContact O-N 3.07Å; E681-C683 PolarHBondContact O-SG 3.45Å; E681-C683 VanDerWaalsContact O-SG 3.4Å
682G85Confident78.6Confident25 Ų2571.5 Ų71.526%0.25836%0.36SS..THydrogen-bonded Turntrans70.4-7.8-169.800000115.4H734 L758G682-H734 PolarHBondContact O-ND1 3.29Å; G682-L758 WeakPolarHBondContact O-CD1 3.48Å
683C91.9Very high81.1Confident5 Ų573.3 Ų73.33%0.03436%0.361CS..  trans-103.34.4-179.2-46.60000113.2P680 E681 F731 H734P680-C683 HydrophobicContact CG-CB 4.34Å; P680-C683 WeakPolarHBondContact O-CB 3.32Å; P680-C683 PolarHBondContact O-N 3.38Å; E681-C683 PolarHBondContact O-N 3.44Å; E681-C683 VanDerWaalsContact O-N 3.07Å; E681-C683 PolarHBondContact O-SG 3.45Å; E681-C683 VanDerWaalsContact O-SG 3.4Å; C683-F731 WeakPolarHBondContact CB-O 3.38Å; C683-F731 PolarHBondContact O-N 2.94Å; C683-H734 VanDerWaalsContact SG-CA 3.56Å; C683-H734 PolarHBondContact SG-N 2.72Å
684N93.5Very high83.1Confident11 Ų1164.2 Ų64.26%0.05933%0.327CS..EExtended strand (participates in β ladder)trans-104.1129.6-171.7-77.2-127.3000111G679 P680 F728 L758 K759G679-N684 PolarHBondContact O-ND2 3.39Å; P680-N684 PolarHBondContact O-ND2 2.9Å; N684-F728 HydrophobicContact CB-CE2 3.97Å; N684-F728 HydrophobicContact CB-CZ 4.14Å; N684-F728 WeakPolarHBondContact OD1-CZ 3.46Å; N684-L758 WeakPolarHBondContact O-CD1 3.12Å; N684-K759 HydrophobicContact CB-CB 3.73Å; N684-K759 HydrophobicContact CB-CD 3.89Å; N684-K759 HydrophobicContact CB-CG 4.32Å; N684-K759 WeakPolarHBondContact O-CB 3.4Å; N684-K759 PolarHBondContact O-N 3.13Å; N684-K759 PolarHBondContact OD1-NZ 3.04Å
685L94.4Very high85.2Confident0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-120.7147.3-176.9-57.1-174.4000113.6I687 F703 F728 V729 F731 A737 A740 I741 V756 Q757 L758L685-I687 HydrophobicContact CB-CD1 4.04Å; L685-F703 HydrophobicContact CD1-CD1 4.35Å; L685-F703 HydrophobicContact CD1-CE1 4.1Å; L685-F728 WeakPolarHBondContact O-CA 3.25Å; L685-F728 WeakPolarHBondContact O-CD2 3.36Å; L685-V729 PolarHBondContact N-O 2.93Å; L685-V729 PolarHBondContact O-N 3.4Å; L685-F731 HydrophobicContact CD1-CD2 4.14Å; L685-F731 HydrophobicContact CD1-CE2 3.72Å; L685-F731 HydrophobicContact CG-CD2 4.49Å; L685-A737 HydrophobicContact CD2-CB 4.09Å; L685-A737 HydrophobicContact CG-CB 4.34Å; L685-A740 HydrophobicContact CD1-CB 3.91Å; L685-I741 HydrophobicContact CD1-CG1 4.37Å; L685-I741 HydrophobicContact CD2-CD1 3.58Å; L685-I741 HydrophobicContact CD2-CG1 3.66Å; L685-V756 HydrophobicContact CB-CG1 4.45Å; L685-V756 HydrophobicContact CD1-CG1 3.82Å; L685-Q757 CarbonylContact C-O 3.51Å; L685-Q757 WeakPolarHBondContact CA-O 3.32Å; L685-L758 HydrophobicContact CD2-CD1 4.28Å
686F94.5Very high87Confident55 Ų5554.5 Ų54.524%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-108.4134.7160.5-77.7-63.8000110.7Y688 F728 V756 Q757 K759F686-Y688 HydrophobicContact CB-CD2 4.4Å; F686-Y688 HydrophobicContact CB-CE2 3.6Å; F686-Y688 HydrophobicContact CG-CE2 4.49Å; F686-F728 HydrophobicContact CD1-CB 4.35Å; F686-F728 HydrophobicContact CD1-CD2 4.22Å; F686-F728 HydrophobicContact CE1-CB 4.37Å; F686-F728 HydrophobicContact CE1-CD2 4.1Å; F686-V756 WeakPolarHBondContact O-CA 3.29Å; F686-Q757 PolarHBondContact N-O 3.02Å; F686-Q757 PolarHBondContact O-N 2.86Å; F686-K759 HydrophobicContact CD2-CB 4.03Å; F686-K759 HydrophobicContact CD2-CG 4.37Å; F686-K759 HydrophobicContact CE2-CB 3.97Å; F686-K759 HydrophobicContact CE2-CD 4.37Å; F686-K759 HydrophobicContact CE2-CG 3.79Å; F686-K759 HydrophobicContact CZ-CG 4.41Å
687I94.4Very high88.4Confident0 Ų057.4 Ų57.40%030%0.303CS..EExtended strand (participates in β ladder)trans-117.2125.6-180-56.674.4000107.9L685 L690 L699 F703 F726 G727 V729 L754 V756L685-I687 HydrophobicContact CB-CD1 4.04Å; I687-L690 HydrophobicContact CG2-CD1 4.47Å; I687-L690 HydrophobicContact CG2-CD2 3.79Å; I687-L690 HydrophobicContact CG2-CG 4Å; I687-L699 HydrophobicContact CB-CD1 4.37Å; I687-L699 HydrophobicContact CD1-CD1 4.37Å; I687-L699 HydrophobicContact CG1-CD1 4.15Å; I687-L699 HydrophobicContact CG2-CD1 4.49Å; I687-F703 HydrophobicContact CD1-CE1 4.48Å; I687-F703 HydrophobicContact CD1-CZ 4.25Å; I687-F703 HydrophobicContact CG1-CE1 4.11Å; I687-F703 HydrophobicContact CG1-CE2 3.87Å; I687-F703 HydrophobicContact CG1-CZ 3.47Å; I687-F703 VanDerWaalsContact CG1-CZ 3.47Å; I687-F703 HydrophobicContact CG2-CZ 4.42Å; I687-F726 CarbonylContact O-C 3.6Å; I687-F726 WeakPolarHBondContact O-CA 2.99Å; I687-F726 WeakPolarHBondContact O-CB 3.34Å; I687-G727 PolarHBondContact N-O 3.49Å; I687-G727 PolarHBondContact O-N 3.14Å; I687-V729 HydrophobicContact CD1-CB 3.85Å; I687-V729 HydrophobicContact CD1-CG2 3.61Å; I687-L754 HydrophobicContact CG2-CD2 4.37Å; I687-V756 HydrophobicContact CG1-CG1 4.42Å; I687-V756 HydrophobicContact CG1-CG2 4.29Å; I687-V756 HydrophobicContact CG2-CG2 4.31Å
688Y95.1Very high89.7Confident76 Ų7655.5 Ų55.530%0.29829%0.291SS..EExtended strand (participates in β ladder)trans-119.3159.2179-58.9-94.6000111.5F686 L690 F726 L754 K755 Q757F686-Y688 HydrophobicContact CB-CD2 4.4Å; F686-Y688 HydrophobicContact CB-CE2 3.6Å; F686-Y688 HydrophobicContact CG-CE2 4.49Å; Y688-L690 VanDerWaalsContact C-N 3.31Å; Y688-F726 HydrophobicContact CD1-CB 3.81Å; Y688-F726 HydrophobicContact CD1-CG 4.48Å; Y688-F726 HydrophobicContact CE1-CB 4.32Å; Y688-F726 HydrophobicContact CG-CB 4.43Å; Y688-L754 WeakPolarHBondContact O-CA 3.31Å; Y688-K755 PolarHBondContact N-O 2.95Å; Y688-K755 PolarHBondContact O-N 3.25Å; Y688-Q757 VanDerWaalsContact CD2-NE2 3.29Å
689H93.3Very high90.5Very high95 Ų9551.7 Ų51.744%0.4427%0.267SS..SBendtrans64.729.5-177-41143.1000114.4C725 K752 R753H689-C725 WeakPolarHBondContact CA-O 3.27Å; H689-C725 PolarHBondContact N-O 3.17Å; H689-K752 HydrophobicContact CB-CB 4.21Å; H689-K752 HydrophobicContact CB-CD 4.3Å; H689-R753 WeakPolarHBondContact CB-O 3.21Å; H689-R753 PolarHBondContact ND1-O 3.07Å
690L93.3Very high91.3Very high0 Ų052.3 Ų52.30%027%0.271CS..  trans-54.3149.8166.6-68.5169.3000110I687 Y688 F694 L699 V714 C725 L754I687-L690 HydrophobicContact CG2-CD1 4.47Å; I687-L690 HydrophobicContact CG2-CD2 3.79Å; I687-L690 HydrophobicContact CG2-CG 4Å; Y688-L690 VanDerWaalsContact C-N 3.31Å; L690-F694 HydrophobicContact CB-CB 4.33Å; L690-F694 HydrophobicContact CD2-CD1 4.08Å; L690-F694 HydrophobicContact CD2-CG 4.48Å; L690-L699 HydrophobicContact CD1-CD1 4.22Å; L690-L699 HydrophobicContact CD1-CD2 4.43Å; L690-L699 HydrophobicContact CD2-CD1 4.09Å; L690-V714 HydrophobicContact CD1-CG2 3.93Å; L690-C725 PolarHBondContact N-O 3.03Å; L690-C725 VanDerWaalsContact O-CB 3.27Å; L690-C725 WeakPolarHBondContact O-CB 3.38Å; L690-C725 PolarHBondContact O-SG 3.18Å; L690-L754 HydrophobicContact CD2-CD2 3.84Å; L690-L754 HydrophobicContact CG-CD2 4.41Å
691P90.4Very high91.8Very high9 Ų954.3 Ų54.36%0.05827%0.274CS..  trans-59.2163.8165.4-19.132.3000111.4E693 F694 I749P691-E693 VanDerWaalsContact C-N 3.31Å; P691-E693 HydrophobicContact CB-CG 3.94Å; P691-E693 VanDerWaalsContact CB-OE1 3.29Å; P691-E693 WeakPolarHBondContact CB-OE1 3.32Å; P691-E693 WeakPolarHBondContact CB-OE2 3.39Å; P691-F694 HydrophobicContact CB-CD2 3.9Å; P691-F694 HydrophobicContact CG-CD2 3.6Å; P691-F694 HydrophobicContact CG-CE2 3.94Å; P691-F694 HydrophobicContact CG-CG 4.33Å; P691-I749 HydrophobicContact CG-CB 4.4Å; P691-I749 HydrophobicContact CG-CD1 3.63Å; P691-I749 HydrophobicContact CG-CG1 3.7Å; P691-I749 HydrophobicContact CG-CG2 3.88Å
692Q90.2Very high92.3Very high102 Ų10247 Ų4748%0.47724%0.24SC..THydrogen-bonded Turntrans-73.9-32.3-177.9-169.9170.8-41.800111F694 Q722 S723Q692-F694 VanDerWaalsContact C-N 3.28Å; Q692-F694 PolarHBondContact O-N 3.16Å; Q692-Q722 VanDerWaalsContact NE2-CD 3.25Å; Q692-S723 VanDerWaalsContact CA-OG 3.3Å; Q692-S723 WeakPolarHBondContact CA-OG 3.4Å; Q692-S723 PolarHBondContact O-OG 3.36Å
693E89Confident92.8Very high149 Ų14945.8 Ų45.870%0.69623%0.228SC*.THydrogen-bonded Turntrans-74.8-2.2177.164.8-87.5-153.600115P691P691-E693 VanDerWaalsContact C-N 3.31Å; P691-E693 HydrophobicContact CB-CG 3.94Å; P691-E693 VanDerWaalsContact CB-OE1 3.29Å; P691-E693 WeakPolarHBondContact CB-OE1 3.32Å; P691-E693 WeakPolarHBondContact CB-OE2 3.39Å
694F90.2Very high92.8Very high36 Ų3650.1 Ų50.116%0.15825%0.248CC..  trans-86121.3176.1-99.4-114.4000111.7L690 P691 Q692 E698 M702 I749L690-F694 HydrophobicContact CB-CB 4.33Å; L690-F694 HydrophobicContact CD2-CD1 4.08Å; L690-F694 HydrophobicContact CD2-CG 4.48Å; P691-F694 HydrophobicContact CB-CD2 3.9Å; P691-F694 HydrophobicContact CG-CD2 3.6Å; P691-F694 HydrophobicContact CG-CE2 3.94Å; P691-F694 HydrophobicContact CG-CG 4.33Å; Q692-F694 VanDerWaalsContact C-N 3.28Å; Q692-F694 PolarHBondContact O-N 3.16Å; F694-E698 HydrophobicContact CD1-CB 3.68Å; F694-E698 HydrophobicContact CE1-CB 3.79Å; F694-E698 HydrophobicContact CG-CB 4.13Å; F694-E698 HydrophobicContact CZ-CB 4.31Å; F694-M702 HydrophobicContact CE1-CB 4.43Å; F694-M702 HydrophobicContact CE1-CE 3.43Å; F694-M702 VanDerWaalsContact CE1-CE 3.43Å; F694-M702 HydrophobicContact CE1-SD 3.94Å; F694-M702 HydrophobicContact CZ-CE 3.46Å; F694-M702 VanDerWaalsContact CZ-CE 3.46Å; F694-I749 HydrophobicContact CD2-CD1 4.49Å; F694-I749 HydrophobicContact CE2-CD1 3.65Å; F694-I749 HydrophobicContact CZ-CD1 3.7Å
695G91.8Very high92.8Very high25 Ų2553.7 Ų53.726%0.25827%0.272SS..  trans-104-168.2170.100000113.1N697 E698 L699 V714G695-N697 PolarHBondContact O-N 2.64Å; G695-E698 WeakPolarHBondContact CA-OE2 3.29Å; G695-E698 PolarHBondContact N-OE2 3.09Å; G695-L699 WeakPolarHBondContact O-CB 3.49Å; G695-L699 PolarHBondContact O-N 3.43Å; G695-L699 VanDerWaalsContact O-N 3.09Å; G695-V714 VanDerWaalsContact C-CG2 3.49Å; G695-V714 VanDerWaalsContact O-CG2 3.27Å; G695-V714 WeakPolarHBondContact O-CG2 3.49Å
696D93.2Very high92.8Very high49 Ų4955.5 Ų55.526%0.26228%0.28SS..Hα-helixtrans-64.4-38.8-176.3-54.4-47.4000112.4A700 K713 V714D696-A700 WeakPolarHBondContact O-CB 3.49Å; D696-A700 PolarHBondContact O-N 2.85Å; D696-K713 WeakPolarHBondContact OD1-CA 3.48Å; D696-K713 VanDerWaalsContact OD1-CD 3.31Å; D696-K713 WeakPolarHBondContact OD1-CD 3.42Å; D696-K713 VanDerWaalsContact OD1-CE 3.29Å; D696-K713 WeakPolarHBondContact OD1-CE 3.11Å; D696-K713 IonicContact OD1-NZ 2.99Å; D696-K713 PolarHBondContact OD1-NZ 2.93Å; D696-K713 IonicContact OD2-NZ 2.67Å; D696-K713 PolarHBondContact OD2-NZ 3.41Å; D696-V714 PolarHBondContact OD1-N 2.99Å
697N92.7Very high92.7Very high105 Ų10554 Ų5456%0.56128%0.28SS*.Hα-helixtrans-70.1-42.9-178.2-65.3-63.6000111.4G695 L699 A700 Q701G695-N697 PolarHBondContact O-N 2.64Å; N697-L699 VanDerWaalsContact C-N 3.34Å; N697-A700 PolarHBondContact O-N 3.38Å; N697-Q701 WeakPolarHBondContact O-CB 3.39Å; N697-Q701 VanDerWaalsContact O-CG 3.23Å; N697-Q701 WeakPolarHBondContact O-CG 3.34Å; N697-Q701 PolarHBondContact O-N 3.21Å
698E92.9Very high92.6Very high75 Ų7558.2 Ų58.235%0.3531%0.306SS..Hα-helixtrans-68.7-38.1-179.7-59.865.7-138.700110F694 G695 M702F694-E698 HydrophobicContact CD1-CB 3.68Å; F694-E698 HydrophobicContact CE1-CB 3.79Å; F694-E698 HydrophobicContact CG-CB 4.13Å; F694-E698 HydrophobicContact CZ-CB 4.31Å; G695-E698 WeakPolarHBondContact CA-OE2 3.29Å; G695-E698 PolarHBondContact N-OE2 3.09Å; E698-M702 WeakPolarHBondContact O-CB 3.5Å; E698-M702 PolarHBondContact O-N 2.91Å
699L93.9Very high92.5Very high0 Ų056.1 Ų56.10%030%0.301CS..Hα-helixtrans-64.9-41.8171.5-179.262.9000112I687 L690 G695 N697 F703 A712 V714 V729I687-L699 HydrophobicContact CB-CD1 4.37Å; I687-L699 HydrophobicContact CD1-CD1 4.37Å; I687-L699 HydrophobicContact CG1-CD1 4.15Å; I687-L699 HydrophobicContact CG2-CD1 4.49Å; L690-L699 HydrophobicContact CD1-CD1 4.22Å; L690-L699 HydrophobicContact CD1-CD2 4.43Å; L690-L699 HydrophobicContact CD2-CD1 4.09Å; G695-L699 WeakPolarHBondContact O-CB 3.49Å; G695-L699 PolarHBondContact O-N 3.43Å; G695-L699 VanDerWaalsContact O-N 3.09Å; N697-L699 VanDerWaalsContact C-N 3.34Å; L699-F703 HydrophobicContact CD1-CD2 3.92Å; L699-F703 HydrophobicContact CD1-CE2 3.85Å; L699-F703 WeakPolarHBondContact O-CD2 3.39Å; L699-F703 PolarHBondContact O-N 3.24Å; L699-A712 HydrophobicContact CD2-CB 4.37Å; L699-A712 HydrophobicContact CG-CB 4.26Å; L699-V714 HydrophobicContact CB-CG2 3.96Å; L699-V714 HydrophobicContact CD2-CG2 3.72Å; L699-V714 HydrophobicContact CG-CG2 4.44Å; L699-V729 HydrophobicContact CD1-CG2 3.86Å; L699-V729 HydrophobicContact CD2-CG2 3.89Å; L699-V729 HydrophobicContact CG-CG2 3.62Å
700A94.1Very high92.5Very high25 Ų2554.8 Ų54.821%0.20730%0.296CS..Hα-helixtrans-62.2-53.5174.500000111.3D696 N697 M702 F703 M704 A712D696-A700 WeakPolarHBondContact O-CB 3.49Å; D696-A700 PolarHBondContact O-N 2.85Å; N697-A700 PolarHBondContact O-N 3.38Å; A700-M702 VanDerWaalsContact C-N 3.3Å; A700-M702 PolarHBondContact O-N 2.78Å; A700-F703 CarbonylContact O-C 3.53Å; A700-F703 PolarHBondContact O-N 2.82Å; A700-M704 WeakPolarHBondContact O-CG 3.39Å; A700-M704 PolarHBondContact O-N 2.96Å; A700-A712 HydrophobicContact CB-CB 3.84Å
701Q93.8Very high92.3Very high117 Ų11755.9 Ų55.955%0.54730%0.304SS..Hα-helixtrans-58.3-39.6-178.7-71.4169.929.700112.7N697 F703 M704 P705N697-Q701 WeakPolarHBondContact O-CB 3.39Å; N697-Q701 VanDerWaalsContact O-CG 3.23Å; N697-Q701 WeakPolarHBondContact O-CG 3.34Å; N697-Q701 PolarHBondContact O-N 3.21Å; Q701-F703 PolarHBondContact O-N 3.12Å; Q701-M704 HydrophobicContact CB-CE 4.34Å; Q701-M704 HydrophobicContact CG-CE 3.95Å; Q701-P705 WeakPolarHBondContact O-CD 3.33Å
702M91.7Very high92.5Very high27 Ų2756.3 Ų56.313%0.13331%0.308CS..Hα-helixtrans-62.1-28.7175175.3175.6-82.800113.2F694 E698 A700 F706 M744 I749 L754F694-M702 HydrophobicContact CE1-CB 4.43Å; F694-M702 HydrophobicContact CE1-CE 3.43Å; F694-M702 VanDerWaalsContact CE1-CE 3.43Å; F694-M702 HydrophobicContact CE1-SD 3.94Å; F694-M702 HydrophobicContact CZ-CE 3.46Å; F694-M702 VanDerWaalsContact CZ-CE 3.46Å; E698-M702 WeakPolarHBondContact O-CB 3.5Å; E698-M702 PolarHBondContact O-N 2.91Å; A700-M702 VanDerWaalsContact C-N 3.3Å; A700-M702 PolarHBondContact O-N 2.78Å; M702-F706 WeakPolarHBondContact O-CE2 3.11Å; M702-M744 HydrophobicContact CE-CE 4.19Å; M702-M744 HydrophobicContact CG-CE 3.56Å; M702-M744 HydrophobicContact SD-CE 3.57Å; M702-M744 VanDerWaalsContact SD-CE 3.57Å; M702-I749 HydrophobicContact CE-CD1 3.74Å; M702-L754 HydrophobicContact CE-CD1 4.19Å; M702-L754 HydrophobicContact SD-CD1 3.69Å
703F93.8Very high92.7Very high0 Ų052.9 Ų52.90%029%0.292CS..Hα-helixtrans-104.3-18.8-174.7-81.6-99.8000114.6L685 I687 L699 A700 Q701 F706 V709 V729 F731 A740 M744 V756L685-F703 HydrophobicContact CD1-CD1 4.35Å; L685-F703 HydrophobicContact CD1-CE1 4.1Å; I687-F703 HydrophobicContact CD1-CE1 4.48Å; I687-F703 HydrophobicContact CD1-CZ 4.25Å; I687-F703 HydrophobicContact CG1-CE1 4.11Å; I687-F703 HydrophobicContact CG1-CE2 3.87Å; I687-F703 HydrophobicContact CG1-CZ 3.47Å; I687-F703 VanDerWaalsContact CG1-CZ 3.47Å; I687-F703 HydrophobicContact CG2-CZ 4.42Å; L699-F703 HydrophobicContact CD1-CD2 3.92Å; L699-F703 HydrophobicContact CD1-CE2 3.85Å; L699-F703 WeakPolarHBondContact O-CD2 3.39Å; L699-F703 PolarHBondContact O-N 3.24Å; A700-F703 CarbonylContact O-C 3.53Å; A700-F703 PolarHBondContact O-N 2.82Å; Q701-F703 PolarHBondContact O-N 3.12Å; F703-F706 HydrophobicContact CD1-CD2 4.45Å; F703-F706 WeakPolarHBondContact O-CD2 3.48Å; F703-F706 PolarHBondContact O-N 2.87Å; F703-V709 HydrophobicContact CB-CG2 4.06Å; F703-V729 HydrophobicContact CB-CG1 4.06Å; F703-V729 HydrophobicContact CB-CG2 4.42Å; F703-V729 HydrophobicContact CD1-CG1 4.39Å; F703-V729 HydrophobicContact CD2-CG2 4.29Å; F703-V729 HydrophobicContact CG-CG1 4.31Å; F703-V729 HydrophobicContact CG-CG2 4.15Å; F703-F731 HydrophobicContact CB-CZ 3.93Å; F703-F731 HydrophobicContact CD1-CE2 4.02Å; F703-F731 AromaticContact CD1-CZ 3.96Å; F703-F731 HydrophobicContact CD1-CZ 3.96Å; F703-F731 HydrophobicContact CG-CZ 4.46Å; F703-F731 WeakPolarHBondContact O-CE1 3.3Å; F703-F731 WeakPolarHBondContact O-CZ 3.38Å; F703-A740 HydrophobicContact CD1-CB 3.9Å; F703-A740 HydrophobicContact CE1-CB 4.05Å; F703-M744 HydrophobicContact CE1-CB 4.25Å; F703-M744 HydrophobicContact CE1-CG 4.2Å; F703-M744 HydrophobicContact CZ-CB 3.97Å; F703-M744 HydrophobicContact CZ-CG 4.08Å; F703-V756 HydrophobicContact CE1-CG1 4.15Å; F703-V756 HydrophobicContact CE1-CG2 4.4Å; F703-V756 HydrophobicContact CZ-CG1 4.41Å; F703-V756 HydrophobicContact CZ-CG2 3.93Å
704M93.3Very high92.9Very high96 Ų9645.8 Ų45.847%0.47326%0.259SS..G310 helixtrans-48.1-40.7171.7-73.7-157.3-70.900115.9A700 Q701 F706 G707 V709A700-M704 WeakPolarHBondContact O-CG 3.39Å; A700-M704 PolarHBondContact O-N 2.96Å; Q701-M704 HydrophobicContact CB-CE 4.34Å; Q701-M704 HydrophobicContact CG-CE 3.95Å; M704-F706 PolarHBondContact O-N 3Å; M704-G707 PolarHBondContact O-N 2.9Å; M704-G707 VanDerWaalsContact O-N 3.17Å; M704-G707 VanDerWaalsContact O-O 3.08Å; M704-V709 HydrophobicContact CG-CG2 4.43Å
705P93.8Very high93Very high86 Ų8648.4 Ų48.456%0.55827%0.268SS*.G310 helixtrans-66.5-6.9-177.824.9-35.2000115Q701Q701-P705 WeakPolarHBondContact O-CD 3.33Å
706F94.1Very high93.1Very high39 Ų3951 Ų5117%0.17128%0.279CS..G310 helixtrans-99.5-11.4177.1-49.8-65.2000113.6M702 F703 M704 F731 S736 A740 A743 M744M702-F706 WeakPolarHBondContact O-CE2 3.11Å; F703-F706 HydrophobicContact CD1-CD2 4.45Å; F703-F706 WeakPolarHBondContact O-CD2 3.48Å; F703-F706 PolarHBondContact O-N 2.87Å; M704-F706 PolarHBondContact O-N 3Å; F706-F731 HydrophobicContact CB-CE1 4.3Å; F706-F731 HydrophobicContact CB-CZ 4.15Å; F706-S736 WeakPolarHBondContact O-CA 3.35Å; F706-S736 WeakPolarHBondContact O-CB 3.37Å; F706-S736 PolarHBondContact O-OG 3.24Å; F706-A740 HydrophobicContact CB-CB 3.76Å; F706-A740 HydrophobicContact CD2-CB 3.82Å; F706-A740 HydrophobicContact CG-CB 3.85Å; F706-A743 HydrophobicContact CD1-CB 4.15Å; F706-A743 HydrophobicContact CE1-CB 3.35Å; F706-A743 HydrophobicContact CZ-CB 3.72Å; F706-M744 HydrophobicContact CD2-CG 4.27Å; F706-M744 HydrophobicContact CE2-CG 3.36Å; F706-M744 HydrophobicContact CE2-SD 3.7Å; F706-M744 HydrophobicContact CZ-CG 3.64Å; F706-M744 HydrophobicContact CZ-SD 3.62Å
707G91.3Very high93Very high23 Ų2350.6 Ų50.624%0.23728%0.277CS..SBendtrans152.4-176.4179.200000113.5M704 V709 F731 S736M704-G707 PolarHBondContact O-N 2.9Å; M704-G707 VanDerWaalsContact O-N 3.17Å; M704-G707 VanDerWaalsContact O-O 3.08Å; G707-V709 PolarHBondContact O-N 2.85Å; G707-V709 VanDerWaalsContact O-N 3.16Å; G707-F731 WeakPolarHBondContact O-CE1 3.34Å; G707-S736 WeakPolarHBondContact CA-OG 3.27Å
708T92.6Very high92.8Very high88 Ų8856.5 Ų56.554%0.5429%0.291SS..  trans-71.8110.9-176.1-30.80000110.7I710 F731 D732T708-I710 PolarHBondContact O-N 2.73Å; T708-F731 WeakPolarHBondContact O-CA 3.27Å; T708-D732 VanDerWaalsContact CB-CG 3.41Å; T708-D732 WeakPolarHBondContact CB-OD2 3.36Å; T708-D732 PolarHBondContact O-N 3.03Å; T708-D732 VanDerWaalsContact O-N 3.08Å; T708-D732 PolarHBondContact OG1-OD2 2.96Å
709V93.9Very high92.6Very high32 Ų3257.4 Ų57.419%0.19431%0.311CS..EExtended strand (participates in β ladder)trans-78.1113.5173.4175.10000109F703 M704 G707 A712 V729 S730 F731F703-V709 HydrophobicContact CB-CG2 4.06Å; M704-V709 HydrophobicContact CG-CG2 4.43Å; G707-V709 PolarHBondContact O-N 2.85Å; G707-V709 VanDerWaalsContact O-N 3.16Å; V709-A712 HydrophobicContact CG1-CB 4.21Å; V709-V729 HydrophobicContact CG1-CG1 4Å; V709-V729 HydrophobicContact CG2-CG1 4.08Å; V709-S730 CarbonylContact C-O 3.48Å; V709-S730 WeakPolarHBondContact CA-O 3.41Å; V709-F731 HydrophobicContact CG2-CD1 4.26Å; V709-F731 HydrophobicContact CG2-CE1 3.76Å; V709-F731 HydrophobicContact CG2-CZ 4.17Å
710I91.5Very high92.6Very high67 Ų6761.2 Ų61.234%0.34434%0.335SS..EExtended strand (participates in β ladder)trans-75.8-36.5175.1-70.9-177.9000110.9L677 T708 S730 D732L677-I710 HydrophobicContact CB-CG2 3.59Å; L677-I710 HydrophobicContact CD2-CG2 4.4Å; L677-I710 WeakPolarHBondContact O-CG2 3.16Å; T708-I710 PolarHBondContact O-N 2.73Å; I710-S730 PolarHBondContact N-O 3.49Å; I710-D732 HydrophobicContact CD1-CB 3.99Å; I710-D732 HydrophobicContact CG1-CB 4.28Å
711S91.1Very high92.3Very high24 Ų2466.1 Ų66.117%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-160.2144.2175.6-166.20000111.1I676 L677 V729 S730I676-S711 WeakPolarHBondContact CG2-OG 3.49Å; L677-S711 WeakPolarHBondContact O-CB 3.45Å; S711-V729 CarbonylContact O-C 3.52Å; S711-V729 WeakPolarHBondContact O-CA 3.44Å; S711-S730 PolarHBondContact N-O 2.79Å; S711-S730 PolarHBondContact O-N 3.12Å
712A93.9Very high92Very high17 Ų1765.1 Ų65.114%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-129.8140.8169.600000109.4L699 A700 V709 F728 V729L699-A712 HydrophobicContact CD2-CB 4.37Å; L699-A712 HydrophobicContact CG-CB 4.26Å; A700-A712 HydrophobicContact CB-CB 3.84Å; V709-A712 HydrophobicContact CG1-CB 4.21Å; A712-F728 CarbonylContact C-O 3.52Å; A712-F728 WeakPolarHBondContact CA-O 3.34Å; A712-V729 HydrophobicContact CB-CG2 4.09Å
713K93.3Very high92Very high30 Ų3064.6 Ų64.613%0.1335%0.352CS..EExtended strand (participates in β ladder)trans-148.8121.5175.5-167.973.5-152.8171.70112.3E674 I676 D696 G727 F728E674-K713 VanDerWaalsContact CD-NZ 3.29Å; E674-K713 IonicContact OE1-NZ 3.63Å; E674-K713 PolarHBondContact OE1-NZ 3.26Å; E674-K713 WeakPolarHBondContact OE2-CE 3.48Å; E674-K713 IonicContact OE2-NZ 2.69Å; E674-K713 PolarHBondContact OE2-NZ 2.95Å; E674-K713 VanDerWaalsContact OE2-NZ 3.12Å; I676-K713 HydrophobicContact CD1-CB 3.84Å; I676-K713 HydrophobicContact CD1-CG 3.94Å; I676-K713 HydrophobicContact CG1-CB 4.26Å; I676-K713 HydrophobicContact CG1-CG 4.45Å; D696-K713 WeakPolarHBondContact OD1-CA 3.48Å; D696-K713 VanDerWaalsContact OD1-CD 3.31Å; D696-K713 WeakPolarHBondContact OD1-CD 3.42Å; D696-K713 VanDerWaalsContact OD1-CE 3.29Å; D696-K713 WeakPolarHBondContact OD1-CE 3.11Å; D696-K713 IonicContact OD1-NZ 2.99Å; D696-K713 PolarHBondContact OD1-NZ 2.93Å; D696-K713 IonicContact OD2-NZ 2.67Å; D696-K713 PolarHBondContact OD2-NZ 3.41Å; K713-G727 CarbonylContact O-C 3.57Å; K713-G727 WeakPolarHBondContact O-CA 3.43Å; K713-F728 PolarHBondContact N-O 3.02Å; K713-F728 PolarHBondContact O-N 3.03Å
714V94.2Very high92Very high1 Ų169.3 Ų69.31%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-84.7135.6165.4178.20000109L690 G695 D696 L699L690-V714 HydrophobicContact CD1-CG2 3.93Å; G695-V714 VanDerWaalsContact C-CG2 3.49Å; G695-V714 VanDerWaalsContact O-CG2 3.27Å; G695-V714 WeakPolarHBondContact O-CG2 3.49Å; D696-V714 PolarHBondContact OD1-N 2.99Å; L699-V714 HydrophobicContact CB-CG2 3.96Å; L699-V714 HydrophobicContact CD2-CG2 3.72Å; L699-V714 HydrophobicContact CG-CG2 4.44Å
715Y92.8Very high91.9Very high91 Ų9166.1 Ų66.136%0.35736%0.359SS..EExtended strand (participates in β ladder)trans-85.2119.3175.7-74.1-91.4000110K724 F726 F728Y715-K724 VanDerWaalsContact O-CB 3.29Å; Y715-K724 WeakPolarHBondContact O-CB 3.2Å; Y715-K724 WeakPolarHBondContact O-CG 3.43Å; Y715-K724 PolarHBondContact O-N 2.98Å; Y715-F726 HydrophobicContact CD1-CE2 4.33Å; Y715-F726 AromaticContact CD2-CD2 3.69Å; Y715-F726 HydrophobicContact CD2-CD2 3.69Å; Y715-F726 AromaticContact CD2-CE2 3.31Å; Y715-F726 HydrophobicContact CD2-CE2 3.31Å; Y715-F726 HydrophobicContact CD2-CZ 4.24Å; Y715-F726 HydrophobicContact CE2-CD2 4.5Å; Y715-F726 HydrophobicContact CE2-CE2 4.06Å; Y715-F726 HydrophobicContact CG-CD2 4.17Å; Y715-F726 AromaticContact CG-CE2 3.47Å; Y715-F726 HydrophobicContact CG-CE2 3.47Å; Y715-F726 VanDerWaalsContact CG-CE2 3.47Å; Y715-F726 AromaticContact CG-CZ 3.95Å; Y715-F726 HydrophobicContact CG-CZ 3.95Å; Y715-F726 PolarHBondContact N-O 3.28Å; Y715-F728 HydrophobicContact CE2-CB 4.15Å
716V93.1Very high91.9Very high78 Ų7865 Ų6547%0.47335%0.346SS..EExtended strand (participates in β ladder)trans-100.5148176.4-1790000110.3N721 K724V716-N721 WeakPolarHBondContact CG1-O 3.33Å; V716-K724 WeakPolarHBondContact O-CE 3.44Å
717D91.5Very high91.9Very high42 Ų4263.1 Ų63.123%0.22534%0.337CS..PPolyproline II helixtrans-82.7122.8171.2-171.958000112.3A719 T720 N721 Q722 K724D717-A719 VanDerWaalsContact C-N 3.32Å; D717-A719 PolarHBondContact O-N 2.97Å; D717-A719 WeakPolarHBondContact OD2-CB 3.5Å; D717-A719 PolarHBondContact OD2-N 2.93Å; D717-T720 WeakPolarHBondContact CB-OG1 3.12Å; D717-T720 PolarHBondContact OD2-N 3.44Å; D717-T720 VanDerWaalsContact OD2-N 3.09Å; D717-T720 PolarHBondContact OD2-OG1 3.2Å; D717-N721 WeakPolarHBondContact O-CA 3.29Å; D717-N721 PolarHBondContact O-N 3.32Å; D717-Q722 WeakPolarHBondContact CB-O 3.46Å; D717-Q722 PolarHBondContact N-O 3.31Å; D717-K724 VanDerWaalsContact CB-CE 3.47Å; D717-K724 HydrophobicContact CB-CG 4.25Å; D717-K724 WeakPolarHBondContact OD1-CE 3.38Å; D717-K724 IonicContact OD1-NZ 2.85Å; D717-K724 PolarHBondContact OD1-NZ 3.28Å
718R89Confident92.1Very high228 Ų22862.2 Ų62.286%0.8633%0.327SS*.THydrogen-bonded Turntrans-71.9-22.4-175.7-175.5174.9-72.4-162.1-5.9113.7
719A88.5Confident92.2Very high94 Ų9458 Ų5878%0.77730%0.301SS*.THydrogen-bonded Turntrans-81.4-35.118000000112.1D717D717-A719 VanDerWaalsContact C-N 3.32Å; D717-A719 PolarHBondContact O-N 2.97Å; D717-A719 WeakPolarHBondContact OD2-CB 3.5Å; D717-A719 PolarHBondContact OD2-N 2.93Å
720T92.4Very high92.2Very high81 Ų8156.5 Ų56.550%0.49729%0.292SS..THydrogen-bonded Turntrans-109.4-11.5-175.7570000114.4D717 Q722D717-T720 WeakPolarHBondContact CB-OG1 3.12Å; D717-T720 PolarHBondContact OD2-N 3.44Å; D717-T720 VanDerWaalsContact OD2-N 3.09Å; D717-T720 PolarHBondContact OD2-OG1 3.2Å; T720-Q722 PolarHBondContact O-N 2.89Å; T720-Q722 VanDerWaalsContact O-N 3.15Å; T720-Q722 PolarHBondContact OG1-N 2.96Å
721N88.1Confident92.3Very high128 Ų12853.3 Ų53.368%0.68428%0.276SS*.  trans55.415.3-167.7-63.3-63.5000115V716 D717V716-N721 WeakPolarHBondContact CG1-O 3.33Å; D717-N721 WeakPolarHBondContact O-CA 3.29Å; D717-N721 PolarHBondContact O-N 3.32Å
722Q89.2Confident92.4Very high95 Ų9554.2 Ų54.244%0.44428%0.279SS..  trans-88.2142.6176.7-56.6-60.4-9.300111.2Q692 D717 T720Q692-Q722 VanDerWaalsContact NE2-CD 3.25Å; D717-Q722 WeakPolarHBondContact CB-O 3.46Å; D717-Q722 PolarHBondContact N-O 3.31Å; T720-Q722 PolarHBondContact O-N 2.89Å; T720-Q722 VanDerWaalsContact O-N 3.15Å; T720-Q722 PolarHBondContact OG1-N 2.96Å
723S91.2Very high92.3Very high16 Ų1657.4 Ų57.411%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-66.8139.7175.773.60000110.9Q692 C725Q692-S723 VanDerWaalsContact CA-OG 3.3Å; Q692-S723 WeakPolarHBondContact CA-OG 3.4Å; Q692-S723 PolarHBondContact O-OG 3.36Å; S723-C725 PolarHBondContact O-N 3.3Å
724K92.5Very high92.2Very high100 Ų10060.2 Ų60.244%0.43531%0.307SS..EExtended strand (participates in β ladder)trans-75.913.1-179.5-58.2-167.8-178.3-146.90112.8Y715 V716 D717 F726Y715-K724 VanDerWaalsContact O-CB 3.29Å; Y715-K724 WeakPolarHBondContact O-CB 3.2Å; Y715-K724 WeakPolarHBondContact O-CG 3.43Å; Y715-K724 PolarHBondContact O-N 2.98Å; V716-K724 WeakPolarHBondContact O-CE 3.44Å; D717-K724 VanDerWaalsContact CB-CE 3.47Å; D717-K724 HydrophobicContact CB-CG 4.25Å; D717-K724 WeakPolarHBondContact OD1-CE 3.38Å; D717-K724 IonicContact OD1-NZ 2.85Å; D717-K724 PolarHBondContact OD1-NZ 3.28Å; K724-F726 HydrophobicContact CB-CD1 3.65Å; K724-F726 HydrophobicContact CB-CE1 3.49Å; K724-F726 VanDerWaalsContact CB-CE1 3.49Å; K724-F726 HydrophobicContact CB-CZ 4.37Å; K724-F726 HydrophobicContact CD-CE1 4.07Å; K724-F726 HydrophobicContact CD-CZ 4.42Å; K724-F726 HydrophobicContact CG-CE1 4.36Å; K724-F726 WeakPolarHBondContact O-CD1 3.44Å; K724-F726 PolarHBondContact O-N 3.43Å; K724-F726 VanDerWaalsContact O-N 3.12Å
725C91.9Very high92.2Very high29 Ų2964.7 Ų64.720%0.19633%0.334CS..EExtended strand (participates in β ladder)trans55.123.5-175.4-59.80000113.9H689 L690 S723 K752H689-C725 WeakPolarHBondContact CA-O 3.27Å; H689-C725 PolarHBondContact N-O 3.17Å; L690-C725 PolarHBondContact N-O 3.03Å; L690-C725 VanDerWaalsContact O-CB 3.27Å; L690-C725 WeakPolarHBondContact O-CB 3.38Å; L690-C725 PolarHBondContact O-SG 3.18Å; S723-C725 PolarHBondContact O-N 3.3Å; C725-K752 PolarHBondContact SG-NZ 3.19Å
726F94.6Very high92.3Very high61 Ų6161.2 Ų61.227%0.26832%0.323SS..EExtended strand (participates in β ladder)trans-143.7152.1173.276.5-98.3000112I687 Y688 Y715 K724I687-F726 CarbonylContact O-C 3.6Å; I687-F726 WeakPolarHBondContact O-CA 2.99Å; I687-F726 WeakPolarHBondContact O-CB 3.34Å; Y688-F726 HydrophobicContact CD1-CB 3.81Å; Y688-F726 HydrophobicContact CD1-CG 4.48Å; Y688-F726 HydrophobicContact CE1-CB 4.32Å; Y688-F726 HydrophobicContact CG-CB 4.43Å; Y715-F726 HydrophobicContact CD1-CE2 4.33Å; Y715-F726 AromaticContact CD2-CD2 3.69Å; Y715-F726 HydrophobicContact CD2-CD2 3.69Å; Y715-F726 AromaticContact CD2-CE2 3.31Å; Y715-F726 HydrophobicContact CD2-CE2 3.31Å; Y715-F726 HydrophobicContact CD2-CZ 4.24Å; Y715-F726 HydrophobicContact CE2-CD2 4.5Å; Y715-F726 HydrophobicContact CE2-CE2 4.06Å; Y715-F726 HydrophobicContact CG-CD2 4.17Å; Y715-F726 AromaticContact CG-CE2 3.47Å; Y715-F726 HydrophobicContact CG-CE2 3.47Å; Y715-F726 VanDerWaalsContact CG-CE2 3.47Å; Y715-F726 AromaticContact CG-CZ 3.95Å; Y715-F726 HydrophobicContact CG-CZ 3.95Å; Y715-F726 PolarHBondContact N-O 3.28Å; K724-F726 HydrophobicContact CB-CD1 3.65Å; K724-F726 HydrophobicContact CB-CE1 3.49Å; K724-F726 VanDerWaalsContact CB-CE1 3.49Å; K724-F726 HydrophobicContact CB-CZ 4.37Å; K724-F726 HydrophobicContact CD-CE1 4.07Å; K724-F726 HydrophobicContact CD-CZ 4.42Å; K724-F726 HydrophobicContact CG-CE1 4.36Å; K724-F726 WeakPolarHBondContact O-CD1 3.44Å; K724-F726 PolarHBondContact O-N 3.43Å; K724-F726 VanDerWaalsContact O-N 3.12Å
727G94.4Very high92.4Very high0 Ų057.5 Ų57.50%030%0.301CS..EExtended strand (participates in β ladder)trans-148.9178.6-178.100000112.9I687 K713I687-G727 PolarHBondContact N-O 3.49Å; I687-G727 PolarHBondContact O-N 3.14Å; K713-G727 CarbonylContact O-C 3.57Å; K713-G727 WeakPolarHBondContact O-CA 3.43Å
728F94.6Very high92.5Very high5 Ų558.4 Ų58.42%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-130.2138.5-177.9171.8-96.9000108.8I676 T678 N684 L685 F686 A712 K713 Y715 K759I676-F728 HydrophobicContact CG2-CD1 3.59Å; I676-F728 HydrophobicContact CG2-CE1 3.52Å; T678-F728 HydrophobicContact CG2-CE1 4.24Å; T678-F728 HydrophobicContact CG2-CZ 4.03Å; N684-F728 HydrophobicContact CB-CE2 3.97Å; N684-F728 HydrophobicContact CB-CZ 4.14Å; N684-F728 WeakPolarHBondContact OD1-CZ 3.46Å; L685-F728 WeakPolarHBondContact O-CA 3.25Å; L685-F728 WeakPolarHBondContact O-CD2 3.36Å; F686-F728 HydrophobicContact CD1-CB 4.35Å; F686-F728 HydrophobicContact CD1-CD2 4.22Å; F686-F728 HydrophobicContact CE1-CB 4.37Å; F686-F728 HydrophobicContact CE1-CD2 4.1Å; A712-F728 CarbonylContact C-O 3.52Å; A712-F728 WeakPolarHBondContact CA-O 3.34Å; K713-F728 PolarHBondContact N-O 3.02Å; K713-F728 PolarHBondContact O-N 3.03Å; Y715-F728 HydrophobicContact CE2-CB 4.15Å; F728-K759 HydrophobicContact CD2-CD 4.29Å; F728-K759 HydrophobicContact CE2-CB 4.47Å; F728-K759 HydrophobicContact CE2-CD 3.56Å; F728-K759 HydrophobicContact CZ-CD 4.34Å
729V94.5Very high92.8Very high0 Ų051.1 Ų51.10%028%0.282CS..EExtended strand (participates in β ladder)trans-134.3135173.4174.20000108.1L685 I687 L699 F703 V709 S711 A712 F731L685-V729 PolarHBondContact N-O 2.93Å; L685-V729 PolarHBondContact O-N 3.4Å; I687-V729 HydrophobicContact CD1-CB 3.85Å; I687-V729 HydrophobicContact CD1-CG2 3.61Å; L699-V729 HydrophobicContact CD1-CG2 3.86Å; L699-V729 HydrophobicContact CD2-CG2 3.89Å; L699-V729 HydrophobicContact CG-CG2 3.62Å; F703-V729 HydrophobicContact CB-CG1 4.06Å; F703-V729 HydrophobicContact CB-CG2 4.42Å; F703-V729 HydrophobicContact CD1-CG1 4.39Å; F703-V729 HydrophobicContact CD2-CG2 4.29Å; F703-V729 HydrophobicContact CG-CG1 4.31Å; F703-V729 HydrophobicContact CG-CG2 4.15Å; V709-V729 HydrophobicContact CG1-CG1 4Å; V709-V729 HydrophobicContact CG2-CG1 4.08Å; S711-V729 CarbonylContact O-C 3.52Å; S711-V729 WeakPolarHBondContact O-CA 3.44Å; A712-V729 HydrophobicContact CB-CG2 4.09Å; V729-F731 HydrophobicContact CG1-CD2 4.25Å; V729-F731 HydrophobicContact CG1-CE2 3.88Å; V729-F731 HydrophobicContact CG1-CZ 4.29Å
730S93.6Very high93.2Very high0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-114.4132.6168.2-1620000110.6G679 V709 I710 S711G679-S730 WeakPolarHBondContact CA-OG 3.38Å; G679-S730 PolarHBondContact N-OG 3.15Å; V709-S730 CarbonylContact C-O 3.48Å; V709-S730 WeakPolarHBondContact CA-O 3.41Å; I710-S730 PolarHBondContact N-O 3.49Å; S711-S730 PolarHBondContact N-O 2.79Å; S711-S730 PolarHBondContact O-N 3.12Å
731F94.4Very high93.3Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-93.7167.1167.5-72.1-83.7000111.4C683 L685 F703 F706 G707 T708 V709 V729 A737 A740C683-F731 WeakPolarHBondContact CB-O 3.38Å; C683-F731 PolarHBondContact O-N 2.94Å; L685-F731 HydrophobicContact CD1-CD2 4.14Å; L685-F731 HydrophobicContact CD1-CE2 3.72Å; L685-F731 HydrophobicContact CG-CD2 4.49Å; F703-F731 HydrophobicContact CB-CZ 3.93Å; F703-F731 HydrophobicContact CD1-CE2 4.02Å; F703-F731 AromaticContact CD1-CZ 3.96Å; F703-F731 HydrophobicContact CD1-CZ 3.96Å; F703-F731 HydrophobicContact CG-CZ 4.46Å; F703-F731 WeakPolarHBondContact O-CE1 3.3Å; F703-F731 WeakPolarHBondContact O-CZ 3.38Å; F706-F731 HydrophobicContact CB-CE1 4.3Å; F706-F731 HydrophobicContact CB-CZ 4.15Å; G707-F731 WeakPolarHBondContact O-CE1 3.34Å; T708-F731 WeakPolarHBondContact O-CA 3.27Å; V709-F731 HydrophobicContact CG2-CD1 4.26Å; V709-F731 HydrophobicContact CG2-CE1 3.76Å; V709-F731 HydrophobicContact CG2-CZ 4.17Å; V729-F731 HydrophobicContact CG1-CD2 4.25Å; V729-F731 HydrophobicContact CG1-CE2 3.88Å; V729-F731 HydrophobicContact CG1-CZ 4.29Å; F731-A737 HydrophobicContact CB-CB 4.43Å; F731-A737 HydrophobicContact CD2-CB 3.97Å; F731-A740 HydrophobicContact CE2-CB 3.65Å; F731-A740 HydrophobicContact CZ-CB 3.77Å
732D92.9Very high93.6Very high42 Ų4245 Ų4523%0.22523%0.228CC..SBendtrans-70-40.6164.359.1-9.9000113P680 T708 I710P680-D732 VanDerWaalsContact CG-O 3.24Å; P680-D732 WeakPolarHBondContact CG-O 3.11Å; T708-D732 VanDerWaalsContact CB-CG 3.41Å; T708-D732 WeakPolarHBondContact CB-OD2 3.36Å; T708-D732 PolarHBondContact O-N 3.03Å; T708-D732 VanDerWaalsContact O-N 3.08Å; T708-D732 PolarHBondContact OG1-OD2 2.96Å; I710-D732 HydrophobicContact CD1-CB 3.99Å; I710-D732 HydrophobicContact CG1-CB 4.28Å
733N91.3Very high93.8Very high85 Ų8542.6 Ų42.646%0.45522%0.224SC..  trans-122.3142.7-167.9-69.6-63.1000113.1T735 S736 A737N733-T735 VanDerWaalsContact C-N 3.32Å; N733-T735 PolarHBondContact O-N 2.93Å; N733-S736 PolarHBondContact O-N 3.28Å; N733-A737 PolarHBondContact O-N 3.45Å; N733-A737 VanDerWaalsContact O-N 3.14Å
734H92.2Very high94Very high89 Ų8942 Ų4241%0.41222%0.22SC..Hα-helixtrans-61.9-41.2177.5-177.169000111.6G682 C683 S736 A737 Q738G682-H734 PolarHBondContact O-ND1 3.29Å; C683-H734 VanDerWaalsContact SG-CA 3.56Å; C683-H734 PolarHBondContact SG-N 2.72Å; H734-S736 VanDerWaalsContact C-N 3.32Å; H734-S736 PolarHBondContact O-N 3.41Å; H734-A737 WeakPolarHBondContact O-CB 3.22Å; H734-A737 PolarHBondContact O-N 2.82Å; H734-Q738 PolarHBondContact CE1-NE2 2.99Å; H734-Q738 PolarHBondContact NE2-NE2 2.87Å; H734-Q738 VanDerWaalsContact NE2-NE2 3.14Å; H734-Q738 WeakPolarHBondContact O-CG 3.41Å; H734-Q738 PolarHBondContact O-N 2.83Å
735T94.4Very high94.1Very high95 Ų9541.1 Ų41.158%0.58322%0.22SC*.Hα-helixtrans-58.2-43.2177.9-44.50000111.7N733 Q738 N739N733-T735 VanDerWaalsContact C-N 3.32Å; N733-T735 PolarHBondContact O-N 2.93Å; T735-Q738 PolarHBondContact O-N 3.41Å; T735-N739 WeakPolarHBondContact O-CB 3.07Å; T735-N739 PolarHBondContact O-N 3.33Å; T735-N739 PolarHBondContact O-OD1 3.48Å
736S93.9Very high94.1Very high17 Ų1741 Ų4112%0.11922%0.224CC..Hα-helixtrans-65-42175.9-69.20000112.4F706 G707 N733 H734 Q738 N739 A740F706-S736 WeakPolarHBondContact O-CA 3.35Å; F706-S736 WeakPolarHBondContact O-CB 3.37Å; F706-S736 PolarHBondContact O-OG 3.24Å; G707-S736 WeakPolarHBondContact CA-OG 3.27Å; N733-S736 PolarHBondContact O-N 3.28Å; H734-S736 VanDerWaalsContact C-N 3.32Å; H734-S736 PolarHBondContact O-N 3.41Å; S736-Q738 VanDerWaalsContact C-N 3.34Å; S736-Q738 PolarHBondContact O-N 2.78Å; S736-N739 PolarHBondContact O-N 3.2Å; S736-A740 WeakPolarHBondContact O-CB 3.42Å; S736-A740 PolarHBondContact O-N 3.09Å
737A94.6Very high94.1Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-62.4-38.3173.800000112.6L685 F731 N733 H734 I741L685-A737 HydrophobicContact CD2-CB 4.09Å; L685-A737 HydrophobicContact CG-CB 4.34Å; F731-A737 HydrophobicContact CB-CB 4.43Å; F731-A737 HydrophobicContact CD2-CB 3.97Å; N733-A737 PolarHBondContact O-N 3.45Å; N733-A737 VanDerWaalsContact O-N 3.14Å; H734-A737 WeakPolarHBondContact O-CB 3.22Å; H734-A737 PolarHBondContact O-N 2.82Å; A737-I741 VanDerWaalsContact O-CG1 3.29Å; A737-I741 WeakPolarHBondContact O-CG1 3.34Å; A737-I741 PolarHBondContact O-N 2.94Å
738Q95Very high94Very high61 Ų6145.4 Ų45.429%0.28524%0.244SC..Hα-helixtrans-69.1-43.5175.1-68.2-63.9-8.600112.7H734 T735 S736 A740 I741 Q742H734-Q738 PolarHBondContact CE1-NE2 2.99Å; H734-Q738 PolarHBondContact NE2-NE2 2.87Å; H734-Q738 VanDerWaalsContact NE2-NE2 3.14Å; H734-Q738 WeakPolarHBondContact O-CG 3.41Å; H734-Q738 PolarHBondContact O-N 2.83Å; T735-Q738 PolarHBondContact O-N 3.41Å; S736-Q738 VanDerWaalsContact C-N 3.34Å; S736-Q738 PolarHBondContact O-N 2.78Å; Q738-A740 VanDerWaalsContact C-N 3.31Å; Q738-A740 PolarHBondContact O-N 3.29Å; Q738-I741 PolarHBondContact O-N 3.49Å; Q738-Q742 WeakPolarHBondContact O-CG 3.23Å; Q738-Q742 PolarHBondContact O-N 2.88Å
739N95.1Very high93.6Very high75 Ų7546.5 Ų46.540%0.40125%0.25SS..Hα-helixtrans-60.5-42.7175.8-68.7-9.9000111T735 S736 Q742 A743T735-N739 WeakPolarHBondContact O-CB 3.07Å; T735-N739 PolarHBondContact O-N 3.33Å; T735-N739 PolarHBondContact O-OD1 3.48Å; S736-N739 PolarHBondContact O-N 3.2Å; N739-Q742 PolarHBondContact O-N 2.97Å; N739-A743 WeakPolarHBondContact O-CB 3.46Å; N739-A743 PolarHBondContact O-N 3.21Å
740A95.7Very high93.3Very high0 Ų048.5 Ų48.50%027%0.271CS..Hα-helixtrans-62.6-40.9174.300000112.8L685 F703 F706 F731 S736 Q738 M744L685-A740 HydrophobicContact CD1-CB 3.91Å; F703-A740 HydrophobicContact CD1-CB 3.9Å; F703-A740 HydrophobicContact CE1-CB 4.05Å; F706-A740 HydrophobicContact CB-CB 3.76Å; F706-A740 HydrophobicContact CD2-CB 3.82Å; F706-A740 HydrophobicContact CG-CB 3.85Å; F731-A740 HydrophobicContact CE2-CB 3.65Å; F731-A740 HydrophobicContact CZ-CB 3.77Å; S736-A740 WeakPolarHBondContact O-CB 3.42Å; S736-A740 PolarHBondContact O-N 3.09Å; Q738-A740 VanDerWaalsContact C-N 3.31Å; Q738-A740 PolarHBondContact O-N 3.29Å; A740-M744 VanDerWaalsContact O-CB 3.25Å; A740-M744 WeakPolarHBondContact O-CB 3.4Å; A740-M744 PolarHBondContact O-N 3.29Å
741I95.3Very high93Very high28 Ų2857.9 Ų57.914%0.14432%0.317CS..Hα-helixtrans-60-49.6172.4-70.1160.9000110.2L685 A737 Q738 A743 N745 V756 L758L685-I741 HydrophobicContact CD1-CG1 4.37Å; L685-I741 HydrophobicContact CD2-CD1 3.58Å; L685-I741 HydrophobicContact CD2-CG1 3.66Å; A737-I741 VanDerWaalsContact O-CG1 3.29Å; A737-I741 WeakPolarHBondContact O-CG1 3.34Å; A737-I741 PolarHBondContact O-N 2.94Å; Q738-I741 PolarHBondContact O-N 3.49Å; I741-A743 PolarHBondContact O-N 3.21Å; I741-N745 HydrophobicContact CG2-CB 4.41Å; I741-N745 WeakPolarHBondContact O-CB 3.4Å; I741-N745 PolarHBondContact O-N 2.79Å; I741-V756 HydrophobicContact CG1-CG1 3.94Å; I741-L758 HydrophobicContact CD1-CB 4.49Å
742Q95.1Very high92.9Very high148 Ų14862 Ų6269%0.69234%0.335SS*.Hα-helixtrans-64.6-38.2-175.3-70.4175.344.600113.1Q738 N739Q738-Q742 WeakPolarHBondContact O-CG 3.23Å; Q738-Q742 PolarHBondContact O-N 2.88Å; N739-Q742 PolarHBondContact O-N 2.97Å
743A93.8Very high92.9Very high44 Ų4467 Ų6736%0.36435%0.351SS..Hα-helixtrans-82.1-38.6-179.700000113.9F706 N739 I741F706-A743 HydrophobicContact CD1-CB 4.15Å; F706-A743 HydrophobicContact CE1-CB 3.35Å; F706-A743 HydrophobicContact CZ-CB 3.72Å; N739-A743 WeakPolarHBondContact O-CB 3.46Å; N739-A743 PolarHBondContact O-N 3.21Å; I741-A743 PolarHBondContact O-N 3.21Å
744M93.8Very high93.1Very high3 Ų363 Ų632%0.01533%0.329CS..Hα-helixtrans-100.8-17.1-170.2-60.4-58.2-59.500114.4M702 F703 F706 A740 G746 F747 L754 V756M702-M744 HydrophobicContact CE-CE 4.19Å; M702-M744 HydrophobicContact CG-CE 3.56Å; M702-M744 HydrophobicContact SD-CE 3.57Å; M702-M744 VanDerWaalsContact SD-CE 3.57Å; F703-M744 HydrophobicContact CE1-CB 4.25Å; F703-M744 HydrophobicContact CE1-CG 4.2Å; F703-M744 HydrophobicContact CZ-CB 3.97Å; F703-M744 HydrophobicContact CZ-CG 4.08Å; F706-M744 HydrophobicContact CD2-CG 4.27Å; F706-M744 HydrophobicContact CE2-CG 3.36Å; F706-M744 HydrophobicContact CE2-SD 3.7Å; F706-M744 HydrophobicContact CZ-CG 3.64Å; F706-M744 HydrophobicContact CZ-SD 3.62Å; A740-M744 VanDerWaalsContact O-CB 3.25Å; A740-M744 WeakPolarHBondContact O-CB 3.4Å; A740-M744 PolarHBondContact O-N 3.29Å; M744-G746 PolarHBondContact O-N 3.08Å; M744-F747 HydrophobicContact CE-CB 4.21Å; M744-F747 HydrophobicContact CE-CD1 4Å; M744-F747 HydrophobicContact CE-CD2 4.34Å; M744-F747 HydrophobicContact CE-CE1 4.49Å; M744-F747 HydrophobicContact CE-CG 3.93Å; M744-F747 VanDerWaalsContact O-CB 3.27Å; M744-F747 WeakPolarHBondContact O-CB 3.42Å; M744-F747 PolarHBondContact O-N 3.35Å; M744-F747 HydrophobicContact SD-CD2 4.48Å; M744-L754 HydrophobicContact CE-CD1 3.78Å; M744-V756 HydrophobicContact CB-CG2 3.79Å
745N94.4Very high93.2Very high81 Ų8163.4 Ų63.443%0.43333%0.33SS..THydrogen-bonded Turntrans-73.2116.6176.7-173.245.6000111I741 K755 V756I741-N745 HydrophobicContact CG2-CB 4.41Å; I741-N745 WeakPolarHBondContact O-CB 3.4Å; I741-N745 PolarHBondContact O-N 2.79Å; N745-K755 WeakPolarHBondContact OD1-CA 3.24Å; N745-V756 HydrophobicContact CB-CB 4.1Å; N745-V756 PolarHBondContact OD1-N 3.28Å; N745-V756 PolarHBondContact OD1-O 3.44Å
746G93.6Very high93.3Very high28 Ų2859 Ų5929%0.28930%0.303SS..THydrogen-bonded Turntrans93-5-174.400000114.6M744 Q748 R753 L754M744-G746 PolarHBondContact O-N 3.08Å; G746-Q748 PolarHBondContact O-N 3.02Å; G746-R753 PolarHBondContact O-NH1 3.49Å; G746-L754 WeakPolarHBondContact CA-O 3.12Å; G746-L754 PolarHBondContact N-O 3.32Å
747F92.9Very high93.3Very high48 Ų4861 Ų6121%0.21131%0.31CS..  trans-57.4128.3178.1-177.9-89.5000111M325 M744 I749 R753 L754M325-F747 HydrophobicContact SD-CE2 3.73Å; M325-F747 HydrophobicContact SD-CZ 3.64Å; M744-F747 HydrophobicContact CE-CB 4.21Å; M744-F747 HydrophobicContact CE-CD1 4Å; M744-F747 HydrophobicContact CE-CD2 4.34Å; M744-F747 HydrophobicContact CE-CE1 4.49Å; M744-F747 HydrophobicContact CE-CG 3.93Å; M744-F747 VanDerWaalsContact O-CB 3.27Å; M744-F747 WeakPolarHBondContact O-CB 3.42Å; M744-F747 PolarHBondContact O-N 3.35Å; M744-F747 HydrophobicContact SD-CD2 4.48Å; F747-I749 HydrophobicContact CD1-CB 4.35Å; F747-I749 HydrophobicContact CE1-CB 4.25Å; F747-R753 CarbonylContact O-C 3.59Å; F747-R753 WeakPolarHBondContact O-CA 3.44Å; F747-L754 HydrophobicContact CB-CB 4.47Å; F747-L754 HydrophobicContact CB-CD1 4.39Å; F747-L754 HydrophobicContact CD1-CD1 3.93Å; F747-L754 HydrophobicContact CD1-CG 4.47Å; F747-L754 PolarHBondContact O-N 3.36Å
748Q92.3Very high93.2Very high104 Ų10464.3 Ų64.349%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-88.5124.9-176.6-175.4171.6-34.900110.9G746 K752 R753G746-Q748 PolarHBondContact O-N 3.02Å; Q748-K752 WeakPolarHBondContact CA-O 3.29Å; Q748-R753 HydrophobicContact CB-CG 4.16Å; Q748-R753 HydrophobicContact CG-CG 4.39Å; Q748-R753 VanDerWaalsContact OE1-NH2 3.13Å
749I87.7Confident92.9Very high29 Ų2964.8 Ų64.815%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-133.8120.6178.3-167.9163.9000109.8P691 F694 M702 F747 M751 K752 L754P691-I749 HydrophobicContact CG-CB 4.4Å; P691-I749 HydrophobicContact CG-CD1 3.63Å; P691-I749 HydrophobicContact CG-CG1 3.7Å; P691-I749 HydrophobicContact CG-CG2 3.88Å; F694-I749 HydrophobicContact CD2-CD1 4.49Å; F694-I749 HydrophobicContact CE2-CD1 3.65Å; F694-I749 HydrophobicContact CZ-CD1 3.7Å; M702-I749 HydrophobicContact CE-CD1 3.74Å; F747-I749 HydrophobicContact CD1-CB 4.35Å; F747-I749 HydrophobicContact CE1-CB 4.25Å; I749-M751 PolarHBondContact O-N 3.07Å; I749-K752 PolarHBondContact N-O 3.06Å; I749-K752 PolarHBondContact O-N 3.37Å; I749-K752 VanDerWaalsContact O-O 3.13Å; I749-L754 HydrophobicContact CG2-CD1 4.38Å; I749-L754 HydrophobicContact CG2-CD2 3.72Å; I749-L754 HydrophobicContact CG2-CG 3.78Å
750G86.6Confident92.3Very high42 Ų4270 Ų7043%0.43334%0.343SS..THydrogen-bonded Turntrans52.4-122.9-166.500000111.4
751M88.1Confident91.2Very high197 Ų19774 Ų7497%0.9737%0.369SS*.THydrogen-bonded Turntrans-92.61.7177.9-59.1175.971.700114I749I749-M751 PolarHBondContact O-N 3.07Å
752K92.1Very high89.8Confident86 Ų8679.6 Ų79.637%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-114.8164-173.5-67.3176.9-174.5167.50111.3H689 C725 Q748 I749H689-K752 HydrophobicContact CB-CB 4.21Å; H689-K752 HydrophobicContact CB-CD 4.3Å; C725-K752 PolarHBondContact SG-NZ 3.19Å; Q748-K752 WeakPolarHBondContact CA-O 3.29Å; I749-K752 PolarHBondContact N-O 3.06Å; I749-K752 PolarHBondContact O-N 3.37Å; I749-K752 VanDerWaalsContact O-O 3.13Å
753R93.3Very high88.2Confident146 Ų14677.3 Ų77.355%0.55139%0.385SS*.EExtended strand (participates in β ladder)trans-118121.6168.4-73.6179.4176.6-95-0.1109.9H689 G746 F747 Q748H689-R753 WeakPolarHBondContact CB-O 3.21Å; H689-R753 PolarHBondContact ND1-O 3.07Å; G746-R753 PolarHBondContact O-NH1 3.49Å; F747-R753 CarbonylContact O-C 3.59Å; F747-R753 WeakPolarHBondContact O-CA 3.44Å; Q748-R753 HydrophobicContact CB-CG 4.16Å; Q748-R753 HydrophobicContact CG-CG 4.39Å; Q748-R753 VanDerWaalsContact OE1-NH2 3.13Å
754L95.1Very high86.5Confident2 Ų279.3 Ų79.31%0.0140%0.396CS..  trans-57.8138.8175.6-63.7-178.2000109.8I687 Y688 L690 M702 M744 G746 F747 I749I687-L754 HydrophobicContact CG2-CD2 4.37Å; Y688-L754 WeakPolarHBondContact O-CA 3.31Å; L690-L754 HydrophobicContact CD2-CD2 3.84Å; L690-L754 HydrophobicContact CG-CD2 4.41Å; M702-L754 HydrophobicContact CE-CD1 4.19Å; M702-L754 HydrophobicContact SD-CD1 3.69Å; M744-L754 HydrophobicContact CE-CD1 3.78Å; G746-L754 WeakPolarHBondContact CA-O 3.12Å; G746-L754 PolarHBondContact N-O 3.32Å; F747-L754 HydrophobicContact CB-CB 4.47Å; F747-L754 HydrophobicContact CB-CD1 4.39Å; F747-L754 HydrophobicContact CD1-CD1 3.93Å; F747-L754 HydrophobicContact CD1-CG 4.47Å; F747-L754 PolarHBondContact O-N 3.36Å; I749-L754 HydrophobicContact CG2-CD1 4.38Å; I749-L754 HydrophobicContact CG2-CD2 3.72Å; I749-L754 HydrophobicContact CG2-CG 3.78Å
755K95.3Very high84.8Confident97 Ų9789.7 Ų89.742%0.42244%0.435SS..EExtended strand (participates in β ladder)trans-120.2112.4172-173.3-178.1-177-177.20108.9Y688 N745 Q757Y688-K755 PolarHBondContact N-O 2.95Å; Y688-K755 PolarHBondContact O-N 3.25Å; N745-K755 WeakPolarHBondContact OD1-CA 3.24Å; K755-Q757 HydrophobicContact CG-CG 4.42Å
756V95.4Very high82.7Confident2 Ų294.1 Ų94.11%0.01245%0.45CS..EExtended strand (participates in β ladder)trans-107.5126.3-176.5-173.20000108.5L685 F686 I687 F703 I741 M744 N745L685-V756 HydrophobicContact CB-CG1 4.45Å; L685-V756 HydrophobicContact CD1-CG1 3.82Å; F686-V756 WeakPolarHBondContact O-CA 3.29Å; I687-V756 HydrophobicContact CG1-CG1 4.42Å; I687-V756 HydrophobicContact CG1-CG2 4.29Å; I687-V756 HydrophobicContact CG2-CG2 4.31Å; F703-V756 HydrophobicContact CE1-CG1 4.15Å; F703-V756 HydrophobicContact CE1-CG2 4.4Å; F703-V756 HydrophobicContact CZ-CG1 4.41Å; F703-V756 HydrophobicContact CZ-CG2 3.93Å; I741-V756 HydrophobicContact CG1-CG1 3.94Å; M744-V756 HydrophobicContact CB-CG2 3.79Å; N745-V756 HydrophobicContact CB-CB 4.1Å; N745-V756 PolarHBondContact OD1-N 3.28Å; N745-V756 PolarHBondContact OD1-O 3.44Å
757Q93.6Very high81.3Confident59 Ų5998.9 Ų98.928%0.27648%0.476SS..EExtended strand (participates in β ladder)trans-137.7149-175.8-74.3160.1104.500109.8L685 F686 Y688 K755L685-Q757 CarbonylContact C-O 3.51Å; L685-Q757 WeakPolarHBondContact CA-O 3.32Å; F686-Q757 PolarHBondContact N-O 3.02Å; F686-Q757 PolarHBondContact O-N 2.86Å; Y688-Q757 VanDerWaalsContact CD2-NE2 3.29Å; K755-Q757 HydrophobicContact CG-CG 4.42Å
758L92.7Very high78.9Confident70 Ų70111 Ų11137%0.36652%0.523SS..EExtended strand (participates in β ladder)trans-62.2138.6168.3-167.872000110.7G682 N684 L685 I741 R760G682-L758 WeakPolarHBondContact O-CD1 3.48Å; N684-L758 WeakPolarHBondContact O-CD1 3.12Å; L685-L758 HydrophobicContact CD2-CD1 4.28Å; I741-L758 HydrophobicContact CD1-CB 4.49Å; L758-R760 PolarHBondContact O-N 2.88Å; L758-R760 VanDerWaalsContact O-N 3.08Å
759K88.9Confident78.2Confident71 Ų71111.4 Ų111.431%0.30953%0.525SS..  trans-63109.1170.5169.2171.9153.3-158.10108.7N684 F686 F728N684-K759 HydrophobicContact CB-CB 3.73Å; N684-K759 HydrophobicContact CB-CD 3.89Å; N684-K759 HydrophobicContact CB-CG 4.32Å; N684-K759 WeakPolarHBondContact O-CB 3.4Å; N684-K759 PolarHBondContact O-N 3.13Å; N684-K759 PolarHBondContact OD1-NZ 3.04Å; F686-K759 HydrophobicContact CD2-CB 4.03Å; F686-K759 HydrophobicContact CD2-CG 4.37Å; F686-K759 HydrophobicContact CE2-CB 3.97Å; F686-K759 HydrophobicContact CE2-CD 4.37Å; F686-K759 HydrophobicContact CE2-CG 3.79Å; F686-K759 HydrophobicContact CZ-CG 4.41Å; F728-K759 HydrophobicContact CD2-CD 4.29Å; F728-K759 HydrophobicContact CE2-CB 4.47Å; F728-K759 HydrophobicContact CE2-CD 3.56Å; F728-K759 HydrophobicContact CZ-CD 4.34Å
760R82.5Confident77.7Confident186 Ų186115.7 Ų115.770%0.70254%0.544SS*.  trans-57.4138169.6-75.8-178.4-85.8178.5-8.1109.5L758L758-R760 PolarHBondContact O-N 2.88Å; L758-R760 VanDerWaalsContact O-N 3.08Å
761P73.6Confident77.3Confident83 Ų83119.8 Ų119.854%0.53955%0.551SS.*  trans-55.7149.9170.7-20.331.3000110.3D763 S764P761-D763 PolarHBondContact O-N 2.89Å; P761-S764 WeakPolarHBondContact CB-OG 3.32Å
762K65.3Low76.6Confident145 Ų145115.3 Ų115.363%0.6353%0.526SS*.SBendtrans-66.9-26.3-173.7-166.9178.4178.2-172.70111.7
763D61.2Low75.6Confident100 Ų100117.1 Ų117.154%0.53554%0.535SS..SBendtrans-102.1-12.8-161.7-45.8-71.4000112.7P761 R765P761-D763 PolarHBondContact O-N 2.89Å; D763-R765 PolarHBondContact O-N 3.39Å
764S57.5Low74.5Confident86 Ų86115.2 Ų115.260%0.60153%0.534SS*.THydrogen-bonded Turntrans-70.626.5175.2-42.40000114.6P761P761-S764 WeakPolarHBondContact CB-OG 3.32Å
765R57.9Low73Confident221 Ų221123.3 Ų123.383%0.83457%0.572SS**THydrogen-bonded Turntrans-101.16.8-174.3-82.2-160.1179.4-146.44.8115.1D763D763-R765 PolarHBondContact O-N 3.39Å
766K50.8Low71.3Confident174 Ų174125.3 Ų125.376%0.75758%0.583SS**SBendtrans-125.2130.6169.8-63179.1-179.9179.20108.7
767P63.7Low69.3Low128 Ų128135.6 Ų135.683%0.83163%0.631SS**  trans-61.6150.7151.931.3-32.6000108.4
768Y43.7Very low67.1Low304 Ų304142.5 Ų142.5100%1.19266%0.663SS**  trans-78.90-179.4-135.3-76.8000111.2

Retrieved 768 of 768 residues in 371.8 ms (Link to these results)