A0A5K4F1J6_SCHMA Loading...

Bruno-like rna binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1J6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 756 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
1M46.5Very low45Very low196 Ų196111.9 Ų111.997%0.96660%0.602SS**  0-60.90-75.7160.1172.800110.8I3 M4M1-I3 PolarHBondContact O-N 3.16Å; M1-M4 PolarHBondContact O-N 3.45Å
2T40.2Very low44.9Very low110 Ų110112.3 Ų112.368%0.67560%0.603SS**Hα-helixtrans-48.5-21.7-175.6-28.10000117.7T5T2-T5 WeakPolarHBondContact CA-OG1 3.36Å; T2-T5 PolarHBondContact O-OG1 3.44Å
3I46.4Very low44.8Very low143 Ų143111.2 Ų111.273%0.73361%0.609SS**Hα-helixtrans-79.7-35.9175.5-61.6176.1000111.4M1M1-I3 PolarHBondContact O-N 3.16Å
4M48.2Very low44.3Very low128 Ų128117.4 Ų117.463%0.63162%0.618SS**Hα-helixtrans-74.8-31.3-179.7-64.4-174.1-65.500112.4M1 N6 E7 I8M1-M4 PolarHBondContact O-N 3.45Å; M4-N6 VanDerWaalsContact C-N 3.3Å; M4-N6 PolarHBondContact O-N 3.04Å; M4-E7 PolarHBondContact O-N 3.49Å; M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.23Å
5T50.8Low43.9Very low74 Ų74119.5 Ų119.545%0.45463%0.63SS.*Hα-helixtrans-62.4-37.5175.644.30000112.1T2 I8 C9T2-T5 WeakPolarHBondContact CA-OG1 3.36Å; T2-T5 PolarHBondContact O-OG1 3.44Å; T5-I8 PolarHBondContact O-N 2.91Å; T5-C9 PolarHBondContact O-N 3.06Å
6N40.7Very low43.6Very low105 Ų105119.3 Ų119.356%0.56164%0.636SS**Hα-helixtrans-71.8-33.6-178.6-66.3-4.6000112.7M4 S10M4-N6 VanDerWaalsContact C-N 3.3Å; M4-N6 PolarHBondContact O-N 3.04Å; N6-S10 WeakPolarHBondContact O-CB 3.37Å; N6-S10 PolarHBondContact O-N 3.17Å; N6-S10 VanDerWaalsContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 2.93Å
7E46.3Very low43.1Very low134 Ų134120.9 Ų120.963%0.62665%0.645SS**Hα-helixtrans-66.6-46.1172.9-65.9-106.1106.200110.5M4 S10 I11M4-E7 PolarHBondContact O-N 3.49Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.14Å; E7-I11 WeakPolarHBondContact O-CG1 3.35Å; E7-I11 PolarHBondContact O-N 3.28Å
8I49.2Very low42.7Very low100 Ų100121.4 Ų121.451%0.51365%0.653SS.*Hα-helixtrans-62.4-47.2179.8-67166.6000111.2M4 T5 S10 I11 L12M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.23Å; T5-I8 PolarHBondContact O-N 2.91Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 2.96Å; I8-I11 PolarHBondContact O-N 3.37Å; I8-I11 VanDerWaalsContact O-N 3.11Å; I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 VanDerWaalsContact O-CD1 3.22Å; I8-L12 WeakPolarHBondContact O-CD1 3.33Å; I8-L12 PolarHBondContact O-N 3.1Å; I8-L12 VanDerWaalsContact O-N 3.07Å
9C37.9Very low42.3Very low80 Ų80121.5 Ų121.554%0.54166%0.658SS.*Hα-helixtrans-59.8-38.8173.7-71.50000112.3T5 I11 L12 S13T5-C9 PolarHBondContact O-N 3.06Å; C9-I11 VanDerWaalsContact C-N 3.26Å; C9-I11 PolarHBondContact O-N 2.97Å; C9-L12 PolarHBondContact O-N 3.45Å; C9-S13 PolarHBondContact O-N 3.05Å; C9-S13 PolarHBondContact O-OG 3.4Å
10S43.3Very low41.8Very low51 Ų51123.7 Ų123.736%0.35767%0.67SS.*Hα-helixtrans-66.5-25176.8-63.30000113.7N6 E7 I8 R14N6-S10 WeakPolarHBondContact O-CB 3.37Å; N6-S10 PolarHBondContact O-N 3.17Å; N6-S10 VanDerWaalsContact O-N 3.1Å; N6-S10 PolarHBondContact O-OG 2.93Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.14Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 2.96Å; S10-R14 VanDerWaalsContact O-CD 3.27Å; S10-R14 WeakPolarHBondContact O-CD 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-NE 2.88Å
11I45.8Very low41.2Very low110 Ų110124 Ų12456%0.56468%0.676SS**Hα-helixtrans-79.6-45.6175.3-69.1163.2000110.3E7 I8 C9 S13 R14E7-I11 WeakPolarHBondContact O-CG1 3.35Å; E7-I11 PolarHBondContact O-N 3.28Å; I8-I11 PolarHBondContact O-N 3.37Å; I8-I11 VanDerWaalsContact O-N 3.11Å; C9-I11 VanDerWaalsContact C-N 3.26Å; C9-I11 PolarHBondContact O-N 2.97Å; I11-S13 PolarHBondContact O-N 3.14Å; I11-R14 PolarHBondContact O-N 3.05Å
12L43.7Very low40.6Very low117 Ų117121.1 Ų121.161%0.61367%0.67SS**Hα-helixtrans-62.4-42.7178.3-8680.3000112.2I8 C9 R14 N15I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 VanDerWaalsContact O-CD1 3.22Å; I8-L12 WeakPolarHBondContact O-CD1 3.33Å; I8-L12 PolarHBondContact O-N 3.1Å; I8-L12 VanDerWaalsContact O-N 3.07Å; C9-L12 PolarHBondContact O-N 3.45Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-R14 VanDerWaalsContact O-N 3.14Å; L12-N15 PolarHBondContact O-N 3.33Å
13S42.8Very low40.2Very low97 Ų97123 Ų12368%0.67868%0.676SS**THydrogen-bonded Turntrans-69.3-6.2179.3-63.60000115.3C9 I11C9-S13 PolarHBondContact O-N 3.05Å; C9-S13 PolarHBondContact O-OG 3.4Å; I11-S13 PolarHBondContact O-N 3.14Å
14R39Very low39.5Very low198 Ų198123.8 Ų123.875%0.74768%0.679SS**THydrogen-bonded Turntrans-97.4-15.6178.4-72.3175-162.5173.29.6114.2S10 I11 L12S10-R14 VanDerWaalsContact O-CD 3.27Å; S10-R14 WeakPolarHBondContact O-CD 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-NE 2.88Å; I11-R14 PolarHBondContact O-N 3.05Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-R14 VanDerWaalsContact O-N 3.14Å
15N38Very low38.6Very low149 Ų149125.2 Ų125.280%0.79769%0.689SS**SBendtrans-98.20-171.6-144.29000114L12 N17L12-N15 PolarHBondContact O-N 3.33Å; N15-N17 PolarHBondContact O-N 3.5Å
16T39.2Very low37.8Very low117 Ų117127.2 Ų127.272%0.71870%0.702SS**  trans-98.861-176.856.90000112.4
17N34.3Very low37.3Very low147 Ų147128 Ų12879%0.78671%0.711SS**  trans-149.248-179.4-158.215.8000116.7N15N15-N17 PolarHBondContact O-N 3.5Å
18T36.5Very low36.5Very low129 Ų129132.8 Ų132.879%0.79173%0.725SS**SBendtrans-150.1114.9157.56.20000113.3
19T34.8Very low35.4Very low124 Ų124135.7 Ų135.776%0.76174%0.741SS**  trans4097.1146.156.40000119.4
20N31.8Very low35.3Very low165 Ų165136.4 Ų136.488%0.88275%0.747SS**  -155.4143.899.4-122.1-18.5000112.2
21T29.7Very low34.6Very low131 Ų131141.9 Ų141.980%0.80477%0.772SS**  trans-108.4111.6-169.8480000113.7
22T34.3Very low33.9Very low135 Ų135142.8 Ų142.883%0.82879%0.787SS**  trans-159.4148149.212.70000109.9
23N30.8Very low33.6Very low150 Ų150142.9 Ų142.980%0.80279%0.793SS**  trans-5.1132.8169.3-53.5-29.1000117
24I31.9Very low33.3Very low158 Ų158145 Ų14581%0.8180%0.801SS**  cis-138.1143.548.3-69.4149000111.5
25N28.9Very low33.2Very low158 Ų158142.2 Ų142.285%0.84580%0.802SS**  trans-119.491.2-177.3177.430000112
26T34.6Very low33.3Very low117 Ų117138.4 Ų138.472%0.71879%0.786SS**  trans-160.8128.8161.919.80000112.2
27T30.3Very low33.3Very low122 Ų122140.5 Ų140.575%0.74879%0.79SS**  trans59.584.6146.6-420000118.8
28Y29.2Very low33.6Very low234 Ų234139.9 Ų139.992%0.91879%0.787SS**  trans-142.7106.7136.3-103.9-77.8000108.7
29N27.2Very low33.9Very low160 Ų160139.4 Ų139.486%0.85678%0.779SS**  trans-16157.3-178.9-162.754.4000112
30S35.9Very low34.2Very low95 Ų95138.5 Ų138.566%0.66477%0.769SS**SBendtrans-161.5113.1172.155.30000111.5
31D28.7Very low34.7Very low166 Ų166136.6 Ų136.689%0.88876%0.758SS**  trans3.8113.4151.8-45.2-55.2000118.4
32C30.7Very low35.1Very low130 Ų130136.6 Ų136.688%0.87875%0.753SS**  trans-124.5125.4156.4-83.10000109.8
33T37.1Very low35.3Very low118 Ų118133.9 Ų133.972%0.72474%0.744SS**  trans-79.2165.717844.70000112.3D35T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 3.37Å
34T36.1Very low35.5Very low141 Ų141133.1 Ų133.187%0.86574%0.739SS**SBendtrans-76.265.4-177.354.30000113
35D37.1Very low35.8Very low141 Ų141130.7 Ų130.775%0.75473%0.731SS**SBendtrans-14520.8179.3-78.5-63.3000113.1T33T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 3.37Å
36S40Very low36.1Very low68 Ų68130.8 Ų130.848%0.47673%0.732SS.*  trans-153.242.8-176-162.60000113.9
37M40Very low36.3Very low161 Ų161134 Ų13479%0.79374%0.738SS**SBendtrans-106.7-19.7172.8-80.3-173169.900113.9
38D40.4Very low36.5Very low134 Ų134135.3 Ų135.372%0.71774%0.741SS**SBendtrans-75.2-43.6176.8-57-85.9000111.5I40 L41D38-I40 PolarHBondContact O-N 3.2Å; D38-L41 PolarHBondContact O-N 3.39Å; D38-L41 VanDerWaalsContact O-N 3.1Å
39D43.2Very low36.7Very low119 Ų119132.1 Ų132.164%0.63674%0.74SS**Hα-helixtrans-61.7-17.4-179.7-62.6-46000114.7
40I41.6Very low37Very low106 Ų106133.1 Ų133.154%0.54474%0.739SS.*Hα-helixtrans-91.9-16.7-178.4-63.2178.1000111.7D38D38-I40 PolarHBondContact O-N 3.2Å
41L41.8Very low36.9Very low125 Ų125134.5 Ų134.565%0.65474%0.744SS**Hα-helixtrans-89-30.6178.2-72171.6000113.1D38 A43D38-L41 PolarHBondContact O-N 3.39Å; D38-L41 VanDerWaalsContact O-N 3.1Å; L41-A43 VanDerWaalsContact C-N 3.32Å
42D37.8Very low37.1Very low131 Ų131134.4 Ų134.470%0.70174%0.741SS**Hα-helixtrans-69.1-31.7170.7-82.4-6.9000111.6I44 V45D42-I44 PolarHBondContact O-N 3.27Å; D42-V45 PolarHBondContact O-N 3.42Å
43A37.3Very low37.1Very low77 Ų77134.1 Ų134.164%0.63674%0.741SS**THydrogen-bonded Turntrans-70.84-177.700000115.8L41L41-A43 VanDerWaalsContact C-N 3.32Å
44I36.1Very low36.8Very low134 Ų134131.4 Ų131.469%0.68774%0.736SS**THydrogen-bonded Turntrans-116.7-1.9-178.4-65.4176.8000111.9D42D42-I44 PolarHBondContact O-N 3.27Å
45V38.9Very low36.6Very low108 Ų108131.6 Ų131.666%0.65574%0.737SS**THydrogen-bonded Turntrans-95.4-21.2-176.7-177.40000113.1D42 E47D42-V45 PolarHBondContact O-N 3.42Å; V45-E47 PolarHBondContact O-N 3.45Å
46D34.3Very low36.4Very low160 Ų160130.9 Ų130.986%0.85674%0.738SS**SBendtrans-90.413.9-162.9-108.15.3000116.6
47E38.5Very low36Very low183 Ų183135 Ų13586%0.85575%0.747SS**SBendtrans-114.523.4-174.3-149.3177.5-156.500115.1V45V45-E47 PolarHBondContact O-N 3.45Å
48N34.3Very low35.7Very low150 Ų150133.9 Ų133.980%0.80274%0.74SS**  trans-135.417.5-178-77.5-87.3000115.9
49D34.5Very low35.3Very low168 Ų168134 Ų13490%0.89874%0.736SS**  trans-11055.3-174.6-128.9-25000113.9
50E33.5Very low34.6Very low181 Ų181137.8 Ų137.885%0.84674%0.742SS**  trans-146.1160.8159.1-141.3179-157.700111.1
51V33.1Very low34.3Very low124 Ų124137.9 Ų137.975%0.75275%0.747SS**SBendtrans71.170.7-179.5-163.90000115.7
52I33.6Very low33.9Very low163 Ų163138.2 Ų138.284%0.83675%0.75SS**  -171.7104.2110.9-89.6149.6000109.6
53S30.3Very low33.5Very low125 Ų125138.2 Ų138.287%0.87475%0.75SS**  trans-110.7104.4164.862.80000109.1
54G30.9Very low33.3Very low61 Ų61140.7 Ų140.763%0.62975%0.752SS**  trans-172.8139.3-178.900000116.3
55V32.2Very low33Very low144 Ų144140.5 Ų140.587%0.87375%0.752SS**  trans64.389.3162.6-164.30000116.8
56T31.7Very low32.6Very low126 Ų126145.7 Ų145.777%0.77376%0.762SS**  trans-97.9143.3156.457.70000110.7
57K31.9Very low32.2Very low154 Ų154144.3 Ų144.367%0.6776%0.755SS**  trans69.2155.1166.5-58.9171.3145.5-87.30115.2
58E33.4Very low32Very low138 Ų138142.6 Ų142.665%0.64575%0.75SS**  cis-154.7158.1-10.9-132.1114.8-132.300105.4
59E32.7Very low31.7Very low137 Ų137144.4 Ų144.464%0.6475%0.753SS**  cis-154-143.44.8-150.8-159.6117.800110.9
60R28.6Very low31.5Very low199 Ų199139.7 Ų139.775%0.75174%0.744SS**  trans-49.6165.2170.3-65.4172.1161.398.3-4.3114.8
61T34Very low31.5Very low108 Ų108140.6 Ų140.666%0.66375%0.745SS**  cis-168.7167.433.4-22.50000113.3
62N33.8Very low31.2Very low132 Ų132141.3 Ų141.371%0.70675%0.75SS**  trans7399.8147.2-68.2-24.6000122.6
63N30.8Very low31.2Very low131 Ų131139 Ų13970%0.70175%0.748SS**  53122.3110.5-69.29.6000123.3
64N31.9Very low31Very low128 Ų128139.5 Ų139.568%0.68474%0.741SS**  trans78.5128.5133.1-57.9-6.2000121.2
65N29.2Very low31Very low130 Ų130144.4 Ų144.470%0.69575%0.753SS**  trans51.1124.6150.2-51.2-12.2000117.8
66Y32Very low30.9Very low218 Ų218144.1 Ų144.186%0.85575%0.752SS**  -160.5165.860.2-106.7-85.7000113.8
67N25.9Very low31Very low131 Ų131143.4 Ų143.470%0.70175%0.749SS**  trans-68.1155.4166.7-177.910.3000112
68I34.2Very low30.8Very low146 Ų146142.5 Ų142.575%0.74976%0.761SS**  trans163.4120.5135-84.2157.4000112.9
69H27.3Very low30.5Very low188 Ų188141.6 Ų141.687%0.8777%0.77SS**  trans25.3138.7148.8-84.368.1000123.1
70G31.3Very low30.4Very low70 Ų70140.6 Ų140.672%0.72278%0.778SS**  trans178.375.615500000119.8
71K32.1Very low30.4Very low199 Ų199136.5 Ų136.587%0.86578%0.78SS**  trans43.6112.6152.4-58.1178.5-177.9179.60118.7
72V27.9Very low30.4Very low139 Ų139139.3 Ų139.384%0.84279%0.789SS**  56.8104.478.7-178.70000114.9
73S32.2Very low30.3Very low116 Ų116142.1 Ų142.181%0.81180%0.798SS**  -157.3146129.2-173.10000110.1
74N27.9Very low30.3Very low135 Ų135143.6 Ų143.672%0.72280%0.8SS**  trans-80.3156.1178.2-54.8-30.2000111.2
75N30.6Very low30.1Very low163 Ų163145 Ų14587%0.87281%0.807SS**  175.6109.5127.2-87.6-11.5000113.2
76T29.1Very low30Very low139 Ų139145.6 Ų145.685%0.85382%0.815SS**  trans-115.6168.3150.829.70000107.5
77P34.3Very low29.9Very low111 Ų111139.5 Ų139.572%0.72181%0.81SS**  cis-129.1-178.25.842.5-28.1000114.1
78C27.8Very low30Very low135 Ų135141.8 Ų141.891%0.91282%0.821SS**  trans-172.7137.5131.9-98.10000110.9
79S26.8Very low29.8Very low119 Ų119142 Ų14283%0.83282%0.824SS**  trans-101.2141.1-179.2-49.40000112.1
80S31.1Very low29.9Very low115 Ų115139 Ų13980%0.80482%0.824SS**  trans-177.8154.7144.331.20000112.5
81S28.9Very low29.8Very low113 Ų113140.6 Ų140.679%0.7982%0.824SS**  trans64.576159.9-550000119.3
82I33Very low29.7Very low167 Ų167141.2 Ų141.286%0.85683%0.827SS**  trans-129.3103.9137.4-61.8-176.8000107.8
83E31.9Very low29.8Very low192 Ų192143.3 Ų143.390%0.89783%0.828SS**  trans-115.283.2168.4-77.5-167.3150.400109.7
84H30.4Very low29.6Very low162 Ų162143.5 Ų143.575%0.7583%0.828SS**SBendtrans-165.7157.3151.7-129.2-121.2000110.9
85L27.4Very low29.6Very low158 Ų158144 Ų14483%0.82783%0.831SS**  trans62.460.9165.4-57.9165.1000116.1
86T28.5Very low29.6Very low142 Ų142142.6 Ų142.687%0.87182%0.822SS**  trans-135.3100.9151.4-56.40000109.9
87A29.3Very low29.7Very low89 Ų89145.1 Ų145.174%0.73682%0.823SS**  trans-134.2161.3168.400000108.2
88L27.9Very low29.7Very low180 Ų180148.6 Ų148.694%0.94283%0.83SS**SBendtrans70.644.9-177.1-49.2-178.4000116.6
89N29.8Very low29.8Very low150 Ų150147.5 Ų147.580%0.80282%0.824SS**  trans-14980.6150-164.5-3.3000111.8
90S30.6Very low30.2Very low124 Ų124148.9 Ų148.987%0.86783%0.828SS**  trans-162.769.2179.4-76.60000113.1
91S29.1Very low30.1Very low104 Ų104148.7 Ų148.773%0.72783%0.826SS**SBendtrans-159.850.9168.367.50000115.2
92F28.7Very low30.3Very low213 Ų213151.7 Ų151.793%0.93483%0.833SS**  trans-167.362.2157.3-97.4-57.3000112.6
93Q31.1Very low30.3Very low182 Ų182152.5 Ų152.585%0.8583%0.83SS**  trans-129.3112.9167.7-157.377.12600108.8
94C27.4Very low30.5Very low120 Ų120150.5 Ų150.581%0.81183%0.825SS**  trans-99.8120.4-179.5-171.80000110.3
95N28.3Very low30.6Very low147 Ų147147.8 Ų147.879%0.78682%0.82SS**  trans-75.6126.3179.4-73.5-5.3000111.9
96I30.7Very low30.9Very low133 Ų133145.6 Ų145.668%0.68281%0.814SS**  trans-134.987.5152.1-55.1-179000108.1P135I96-P135 HydrophobicContact CD1-CG 3.88Å
97E30.6Very low31.1Very low191 Ų191146 Ų14689%0.89381%0.81SS**  trans-111.6122.2160.3-75.3-165.4114.200109
98Q34.1Very low31.3Very low184 Ų184145.6 Ų145.686%0.8681%0.807SS**  trans-136101.2159.4-78.5-163.4300110.8
99S30Very low31.7Very low112 Ų112144 Ų14478%0.78380%0.799SS**  42.597.4128-51.60000119.4
100T35.5Very low32Very low149 Ų149142.8 Ų142.891%0.91479%0.793SS**  -142.8124.7124.145.50000110
101S29.1Very low32.3Very low110 Ų110142.9 Ų142.977%0.76978%0.784SS**  trans-88.4138.917365.30000111.4
102L32.5Very low32.7Very low177 Ų177144.8 Ų144.893%0.92779%0.786SS**  trans-145.1133.4145.5-104.5144000108.1
103K33.4Very low32.9Very low183 Ų183139.4 Ų139.480%0.79677%0.774SS**  trans-99.9172.4176.6-69.6178.9177.4177.50109.2
104D35.3Very low33.1Very low150 Ų150137.7 Ų137.780%0.80277%0.771SS**  trans105.3138.1157.3-64.4-40.3000118.4
105T33.4Very low33.5Very low105 Ų105140.8 Ų140.864%0.64477%0.773SS**  cis-165.2129.8-27.2-112.30000110.5
106T34.3Very low34Very low113 Ų113140.8 Ų140.869%0.69377%0.773SS**  trans53.4146.4161.159.90000123
107N31.4Very low34.4Very low149 Ų149141.5 Ų141.580%0.79778%0.778SS**  trans65.5126.3152.2-61.8-8.3000118.7
108A34.2Very low34.9Very low81 Ų81139.5 Ų139.567%0.66977%0.773SS**  cis104.4153.321.800000114.4
109N36.6Very low34.9Very low146 Ų146137.9 Ų137.978%0.78177%0.771SS**  trans89.8117.8168-62.7-3.6000118.7
110N36.5Very low35.3Very low126 Ų126139.4 Ų139.467%0.67477%0.77SS**  trans91.499.2139.7-62.924.8000121.1
111D36.8Very low35Very low126 Ų126139.4 Ų139.467%0.67477%0.765SS**  72.6142.9111.1-50.3-26.1000123
112N37.2Very low35.3Very low143 Ų143139.4 Ų139.477%0.76576%0.76SS**  trans79102.2153.2-62.1-23.2000120.2
113C31.9Very low35.1Very low100 Ų100138.4 Ų138.468%0.67676%0.755SS**  64.4112111.6-73.30000121.3
114D34.9Very low35Very low147 Ų147136.8 Ų136.879%0.78675%0.754SS**  86145.9122.2-59.7-40.8000121.8
115E36.9Very low35Very low185 Ų185134.6 Ų134.686%0.86475%0.75SS**  trans75.1152.3163.8-74-176.2162.200122.3
116D39.1Very low35Very low146 Ų146139.4 Ų139.478%0.78176%0.762SS**  trans67105.2166.6-65.4-8.8000122.4
117D39.1Very low34.9Very low149 Ų149141.8 Ų141.880%0.79777%0.771SS**  trans-17.7129.2140.4-74.3-51.7000115.3
118N40.7Very low34.9Very low148 Ų148139 Ų13979%0.79176%0.763SS**  -163103.1127.7-109.8-72.8000113.7N120N118-N120 PolarHBondContact O-N 2.92Å
119N34.6Very low34.6Very low151 Ų151142.2 Ų142.281%0.80777%0.768SS**  trans-5.2104.4146.2-174.813.2000116
120N38.2Very low34.2Very low144 Ų144143.5 Ų143.577%0.7777%0.767SS**  trans-139.6120.4167.5-106-59.2000112.2N118 V122N118-N120 PolarHBondContact O-N 2.92Å; N120-V122 PolarHBondContact O-N 3.36Å
121N29.4Very low34Very low149 Ų149144.3 Ų144.380%0.79777%0.77SS**  trans-8893.7-172.2-173.75.5000110.9
122V34.8Very low33.6Very low109 Ų109143.8 Ų143.866%0.66177%0.771SS**  trans-100.5105.1-176.1-1760000111.5N120 I124N120-V122 PolarHBondContact O-N 3.36Å; V122-I124 HydrophobicContact CG1-CG1 4.11Å; V122-I124 PolarHBondContact O-N 3.08Å
123N27.9Very low33.4Very low156 Ų156144.2 Ų144.283%0.83477%0.774SS**  trans-62.8115167.6-113.9-55.5000110.4
124I32.7Very low33.5Very low150 Ų150147 Ų14777%0.76978%0.78SS**  trans-108.1110.4169.7-60.4-175.9000109V122V122-I124 HydrophobicContact CG1-CG1 4.11Å; V122-I124 PolarHBondContact O-N 3.08Å
125S34.1Very low33.6Very low104 Ų104144 Ų14473%0.72777%0.769SS**  trans-66.1146.4-179.8-1730000112.2N127S125-N127 PolarHBondContact O-N 3.47Å
126K33.9Very low33.4Very low206 Ų206145.4 Ų145.490%0.89677%0.772SS**  trans-65.7101.3174.9-67.7179.8179.4179.20110.2
127N31.7Very low33.1Very low163 Ų163142.7 Ų142.787%0.87277%0.77SS**  trans-86.1115.2175.3-137.629.3000110.2S125 L129S125-N127 PolarHBondContact O-N 3.47Å; N127-L129 PolarHBondContact O-N 3.25Å
128S31.4Very low32.8Very low91 Ų91143.1 Ų143.164%0.63677%0.772SS**  trans-74.3109.7-178.2159.50000111.4F130S128-F130 WeakPolarHBondContact OG-CD2 3.49Å
129L28.9Very low32.5Very low147 Ų147141.1 Ų141.177%0.7777%0.765SS**  trans-100.299.8172.6-169.766.6000111.2N127 I131N127-L129 PolarHBondContact O-N 3.25Å; L129-I131 HydrophobicContact CD2-CD1 4.04Å; L129-I131 HydrophobicContact CD2-CG1 4.28Å; L129-I131 HydrophobicContact CG-CD1 4.41Å; L129-I131 HydrophobicContact CG-CG1 4.1Å
130F27.6Very low32.3Very low173 Ų173142 Ų14276%0.75977%0.769SS**  trans-76.7121.8166-83.7-98.5000109.6S128S128-F130 WeakPolarHBondContact OG-CD2 3.49Å
131I32.1Very low32Very low144 Ų144140.2 Ų140.274%0.73877%0.767SS**  trans-115.5111.7164.5-58.5-176.4000107.8L129L129-I131 HydrophobicContact CD2-CD1 4.04Å; L129-I131 HydrophobicContact CD2-CG1 4.28Å; L129-I131 HydrophobicContact CG-CD1 4.41Å; L129-I131 HydrophobicContact CG-CG1 4.1Å
132T28.8Very low31.9Very low114 Ų114138.3 Ų138.370%0.69976%0.764SS**  trans-115.387.9-178.539.90000110.5
133N32.5Very low31.9Very low152 Ų152142.6 Ų142.681%0.81378%0.776SS**  trans-169.5120.5152.6-113.7-82.2000110.1
134I34.1Very low32.2Very low158 Ų158140 Ų14081%0.8177%0.771SS**  trans-134.7120.8165.9-59.9179.9000106.4
135P37.5Very low32Very low85 Ų85142.8 Ų142.855%0.55277%0.773SS**  trans-73.7146.9-175.128.8-34.1000112.6I96 A137I96-P135 HydrophobicContact CD1-CG 3.88Å; P135-A137 PolarHBondContact O-N 3.5Å; P135-A137 VanDerWaalsContact O-N 3.09Å
136K32Very low31.9Very low214 Ų214147.3 Ų147.393%0.9378%0.783SS**SBendtrans-76.991.8178.8-66.3-179.9179179.80111.2
137A33.3Very low31.9Very low90 Ų90146.5 Ų146.574%0.74478%0.779SS**  trans-146.224.5174.600000114P135P135-A137 PolarHBondContact O-N 3.5Å; P135-A137 VanDerWaalsContact O-N 3.09Å
138L33.2Very low31.8Very low158 Ų158145.5 Ų145.583%0.82777%0.773SS**  trans-148.999.7176.2-98.8165.1000108.9
139T34Very low31.9Very low106 Ų106149 Ų14965%0.6578%0.784SS**  trans-145.3-25.9177-53.30000112.1C141T139-C141 VanDerWaalsContact C-N 3.33Å; T139-C141 PolarHBondContact O-N 3.27Å; T139-C141 VanDerWaalsContact O-N 3.16Å
140D31Very low32Very low169 Ų169149.7 Ų149.790%0.90479%0.789SS**THydrogen-bonded Turntrans-88.753.5176.4-60.5-65.4000113.8
141C30.6Very low32.4Very low106 Ų106147.2 Ų147.272%0.71679%0.793SS**THydrogen-bonded Turntrans-149.37.1168.9-140.80000114.4T139 H143T139-C141 VanDerWaalsContact C-N 3.33Å; T139-C141 PolarHBondContact O-N 3.27Å; T139-C141 VanDerWaalsContact O-N 3.16Å; C141-H143 PolarHBondContact O-N 2.95Å
142C28.2Very low32.6Very low109 Ų109150 Ų15074%0.73680%0.802SS**THydrogen-bonded Turntrans-83.176.7-173.8-66.50000112.8
143H34.2Very low32.9Very low199 Ų199151.9 Ų151.992%0.92180%0.803SS**THydrogen-bonded Turntrans-145.76.9167.3-102.677.2000115.1C141C141-H143 PolarHBondContact O-N 2.95Å
144S34.7Very low32.9Very low102 Ų102152.8 Ų152.871%0.71381%0.807SS**SBendtrans-136.425.5-171.6-166.20000115.5
145Y29Very low32.9Very low209 Ų209152.1 Ų152.182%0.8280%0.798SS**  trans-137.264.4179.6-88.1-80.6000113.5L148Y145-L148 HydrophobicContact CE1-CD1 4.45Å
146E31.2Very low32.6Very low198 Ų198155.9 Ų155.993%0.92581%0.813SS**  trans-11181.8154-87-152.112100109.5
147F32.9Very low32.6Very low189 Ų189153.8 Ų153.883%0.82981%0.806SS**SBendtrans-155.27.9169.4-143.1-102000116
148L31.5Very low32.4Very low143 Ų143153 Ų15375%0.74981%0.807SS**SBendtrans-128.140.4-171.1-71.3174.8000114.2Y145Y145-L148 HydrophobicContact CE1-CD1 4.45Å
149L32.7Very low32.5Very low165 Ų165153.6 Ų153.686%0.86481%0.809SS**SBendtrans-134.92.9174.4-75.3177.1000115.6
150N30.8Very low32.4Very low161 Ų161157.6 Ų157.686%0.86182%0.82SS**  trans-113.152.9-177-74.9-14000112.9
151S36.8Very low32.5Very low121 Ų121157.4 Ų157.485%0.84682%0.819SS**  trans-150.447.9178.4-67.30000114.4H153S151-H153 PolarHBondContact O-N 3.44Å
152E36Very low32.6Very low201 Ų201157.3 Ų157.394%0.93982%0.82SS**  trans-79.492162.5-74.8-162.6114.300111
153H34.7Very low32.7Very low154 Ų154157 Ų15771%0.71382%0.82SS**  trans-148.159.1159.4-160.3-145.5000113.5S151 K155S151-H153 PolarHBondContact O-N 3.44Å; H153-K155 VanDerWaalsContact C-N 3.29Å; H153-K155 PolarHBondContact O-N 2.97Å
154L31.9Very low32.7Very low172 Ų172154 Ų15490%0.90182%0.815SS**  trans-71.982.7165.8-91.6160.5000110.5L156L154-L156 PolarHBondContact O-N 2.8Å
155K33.6Very low32.3Very low143 Ų143158.7 Ų158.762%0.62283%0.825SS**  trans-86.783.7175.3-168.876.3174.7-168.30110.7H153 E157H153-K155 VanDerWaalsContact C-N 3.29Å; H153-K155 PolarHBondContact O-N 2.97Å; K155-E157 HydrophobicContact CG-CG 4.48Å; K155-E157 PolarHBondContact O-N 2.9Å
156L31.2Very low32.4Very low165 Ų165153.4 Ų153.486%0.86482%0.819SS**  trans-71.4111.6165.2-77.1163.6000109.4L154L154-L156 PolarHBondContact O-N 2.8Å
157E32.3Very low32.4Very low169 Ų169150.9 Ų150.979%0.7981%0.812SS**  trans-109.9150.1160.4-75.1-160.4138.400110K155K155-E157 HydrophobicContact CG-CG 4.48Å; K155-E157 PolarHBondContact O-N 2.9Å
158G30.2Very low32.1Very low73 Ų73147.3 Ų147.375%0.75382%0.817SS**  trans9670.1171.600000115.6
159I34.9Very low31.9Very low171 Ų171145.4 Ų145.488%0.87782%0.816SS**  -161.3129.1123.5-95.4148.4000107.3
160E32.9Very low31.7Very low190 Ų190145.9 Ų145.989%0.88882%0.816SS**  trans-87.4123.8174.7-5717613500108.6
161D32.2Very low31.7Very low165 Ų165146.3 Ų146.388%0.88282%0.816SS**  trans-161.7159.7136.5-129.8-36.3000114
162S31.7Very low31.1Very low104 Ų104148.7 Ų148.773%0.72782%0.818SS**  trans-80.5122.9-171.6148.90000113.7
163S30.7Very low30.7Very low104 Ų104144.9 Ų144.973%0.72781%0.814SS**  174.4171.9124500000114.7
164V34Very low30.5Very low135 Ų135143.7 Ų143.782%0.81882%0.822SS**  trans69.585.6167.1-163.70000117.1
165Q26.8Very low30.2Very low200 Ų200145.4 Ų145.494%0.93582%0.822SS**  trans-73.9124.7152.8-63167.1-81.300110.4
166S31.5Very low30.2Very low98 Ų98144.3 Ų144.369%0.68583%0.827SS**  trans-170.9163.4136.8-155.50000112.2
167N31.9Very low30Very low146 Ų146142.1 Ų142.178%0.78182%0.821SS**  trans73.758.7158.3-52.7-12.4000118.3S169N167-S169 PolarHBondContact O-N 3.14Å
168A25.6Very low30Very low113 Ų113141.3 Ų141.393%0.93482%0.821SS**  trans-84.889.4155.700000110.4
169S27.7Very low30Very low104 Ų104143.1 Ų143.173%0.72782%0.817SS**  trans-164.4141.2174.3-178.20000111.7N167N167-S169 PolarHBondContact O-N 3.14Å
170M28.4Very low29.8Very low175 Ų175141.1 Ų141.186%0.86282%0.815SS**  trans8273.9178.9-51-167.1-149.500119.4
171I30Very low29.7Very low169 Ų169136.7 Ų136.787%0.86781%0.805SS**  trans-139.375.9139.8-51.6-178.9000109.4
172L25.8Very low29.8Very low171 Ų171134.1 Ų134.190%0.89580%0.8SS**  trans-163.963.4167.9-148.477.7000114.8
173S26.8Very low29.9Very low122 Ų122135.2 Ų135.285%0.85380%0.802SS**  trans-172.685.9161.8-87.30000113.9
174C30.6Very low30Very low129 Ų129135.3 Ų135.387%0.87280%0.803SS**  trans-136.136.1172.7-72.50000113.6T176C174-T176 PolarHBondContact O-N 3.39Å
175K25.9Very low29.9Very low208 Ų208134.3 Ų134.390%0.90480%0.802SS**  trans-91.367.4176.6-165.2164.3-175.2168.20111.7
176T32.6Very low30.1Very low120 Ų120132.7 Ų132.774%0.73680%0.8SS**  trans-83.2115.9-178.4-60.40000111.5C174C174-T176 PolarHBondContact O-N 3.39Å
177T28Very low30.1Very low118 Ų118133.6 Ų133.672%0.72480%0.801SS**  trans-68.4131.2170.5-61.60000110.1T179T177-T179 HydrophobicContact CG2-CG2 4.21Å
178I32.9Very low30Very low153 Ų153134 Ų13479%0.78580%0.802SS**  trans-114109167.4-60.7-178.8000108.5
179T29Very low30.4Very low111 Ų111133.3 Ų133.368%0.68179%0.788SS**  trans-83.8126.1173.745.30000110.9T177T177-T179 HydrophobicContact CG2-CG2 4.21Å
180P31.9Very low30.4Very low129 Ų129134.4 Ų134.484%0.83879%0.79SS**  trans-83.6134.4168.832.8-31.6000110.7
181S30.1Very low30.5Very low97 Ų97136.5 Ų136.568%0.67879%0.79SS**  trans-151124.7176.859.40000112.7
182S34Very low30.4Very low111 Ų111133.3 Ų133.378%0.77678%0.779SS**  trans65.1143.9166.974.90000116.5
183T33.6Very low30.7Very low126 Ų126131.7 Ų131.777%0.77378%0.776SS**  cis-159.3177.4-7.24.30000109.4
184S32.3Very low30.7Very low107 Ų107130.8 Ų130.875%0.74877%0.77SS**  trans60.9107.3-178.548.60000114.5
185S32.6Very low30.8Very low113 Ų113136.1 Ų136.179%0.7977%0.772SS**  78.387.557.1-60.90000113.3
186D31.1Very low30.9Very low167 Ų167133.1 Ų133.189%0.89377%0.765SS**  -147.4176.5118.9-112-39.7000110.3
187T31.7Very low31Very low116 Ų116135.6 Ų135.671%0.71277%0.772SS**  trans-120.4168.1-147.5-43.90000114.4
188I29.8Very low31.3Very low154 Ų154135.7 Ų135.779%0.7977%0.768SS**  trans91.6129.4162.8-49.7151.9000115.5
189P33.3Very low31.1Very low99 Ų99140.2 Ų140.264%0.64378%0.775SS**  cis-132.9146.8-45.137.5-19.1000113.3Y191P189-Y191 PolarHBondContact O-N 3.18Å
190T28.6Very low31.8Very low127 Ų127140.3 Ų140.378%0.77978%0.776SS**  trans-79.3124.2179.4-47.70000113.2
191Y29.1Very low32.1Very low219 Ų219139 Ų13986%0.85976%0.762SS**  trans-93103.1162.3-91.1-84.9000110.5P189P189-Y191 PolarHBondContact O-N 3.18Å
192T29.2Very low32.8Very low103 Ų103141.4 Ų141.463%0.63277%0.766SS**  trans-92.8116.1179.5-53.50000111.4S194T192-S194 WeakPolarHBondContact CG2-OG 3.35Å
193T30.8Very low33.5Very low137 Ų137141.8 Ų141.884%0.8476%0.759SS**  trans-108.870.417151.80000111.5R195T193-R195 PolarHBondContact O-N 3.04Å
194S27.6Very low34.1Very low102 Ų102140.1 Ų140.171%0.71375%0.746SS**  trans-68.4117.9175-58.90000111.7T192T192-S194 WeakPolarHBondContact CG2-OG 3.35Å
195R32.4Very low35.2Very low242 Ų242139.1 Ų139.191%0.91374%0.735SS**  trans-135.6147.5154.2-75.4-162.2172.1-167.9-2110.8T193T193-R195 PolarHBondContact O-N 3.04Å
196L28.5Very low36.1Very low145 Ų145138.5 Ų138.576%0.75972%0.723SS**  trans-66.1138.9-166.1-71.957.9000112.2
197I35.5Very low37.6Very low171 Ų171136.9 Ų136.988%0.87771%0.709SS**  trans-124126.4135.5-61.9-178.7000105.3
198D32.5Very low39.2Very low121 Ų121136.9 Ų136.965%0.64770%0.703SS**  trans-76.1151.1-171.8-109.3-56.6000113T200D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 PolarHBondContact O-N 3.02Å; D198-T200 VanDerWaalsContact O-N 3.17Å
199R30.5Very low40.9Very low247 Ų247135.8 Ų135.893%0.93269%0.694SS**  trans-86.569.4172.1-75.2-175.4173.2178.4-1.9110.8
200T42.1Very low42.6Very low113 Ų113137.5 Ų137.569%0.69369%0.694SS**  trans-76.4144.7164.847.60000110.5D198D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 PolarHBondContact O-N 3.02Å; D198-T200 VanDerWaalsContact O-N 3.17Å
201N39.1Very low44.7Very low102 Ų102136.6 Ų136.655%0.54568%0.681SS.*  trans-52.2136.4-165.7-75.4-77.7000114.8N203 D204N201-N203 HydrophobicContact CB-CB 4.31Å; N201-N203 PolarHBondContact O-N 3.48Å; N201-D204 WeakPolarHBondContact CB-OD2 3.45Å
202L44.5Very low46.7Very low147 Ų147133 Ų13377%0.7767%0.667SS**THydrogen-bonded Turntrans-67.5-15.1165.4-82.175.9000112.8D204L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.37Å
203N49.1Very low48.8Very low119 Ų119134.4 Ų134.464%0.63667%0.666SS**Hα-helixtrans-74-20.2-179.4-58.8-26.6000113.7N201N201-N203 HydrophobicContact CB-CB 4.31Å; N201-N203 PolarHBondContact O-N 3.48Å
204D46.8Very low51.1Low92 Ų92133.3 Ų133.349%0.49265%0.651SS.*Hα-helixtrans-79-28-176.4-64.4-43.6000111.7N201 L202 F207 I208N201-D204 WeakPolarHBondContact CB-OD2 3.45Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.37Å; D204-F207 PolarHBondContact O-N 3.41Å; D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.44Å; D204-I208 VanDerWaalsContact O-N 3.16Å
205T54.1Low53.4Low86 Ų86133.5 Ų133.553%0.52864%0.643SS.*Hα-helixtrans-64.8-49.8179.8-40.30000111.9F207 I208 E209T205-F207 PolarHBondContact O-N 2.95Å; T205-I208 PolarHBondContact O-N 3.48Å; T205-I208 VanDerWaalsContact O-N 3.1Å; T205-E209 PolarHBondContact O-N 3.15Å
206D51.5Low55.5Low100 Ų100125.9 Ų125.954%0.53562%0.619SS.*Hα-helixtrans-59.3-36.1179.4-67.60.2000111.7Q210D206-Q210 WeakPolarHBondContact O-CB 3.11Å; D206-Q210 WeakPolarHBondContact O-CG 3.43Å; D206-Q210 PolarHBondContact O-N 3.43Å
207F63Low57.8Low133 Ų133122.9 Ų122.958%0.58360%0.604SS**Hα-helixtrans-71.8-35.1178.6-160.3-91.5000112.1D204 T205 Q211D204-F207 PolarHBondContact O-N 3.41Å; T205-F207 PolarHBondContact O-N 2.95Å; F207-Q211 HydrophobicContact CD1-CG 4.17Å; F207-Q211 HydrophobicContact CE1-CG 3.98Å; F207-Q211 WeakPolarHBondContact O-CB 3.45Å; F207-Q211 WeakPolarHBondContact O-CG 3.49Å; F207-Q211 PolarHBondContact O-N 3.29Å
208I65Low59.8Low115 Ų115119.5 Ų119.559%0.5958%0.584SS**Hα-helixtrans-69.1-42.9174.2-68.6168.5000110.7D204 T205 Q211 Y212D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.44Å; D204-I208 VanDerWaalsContact O-N 3.16Å; T205-I208 PolarHBondContact O-N 3.48Å; T205-I208 VanDerWaalsContact O-N 3.1Å; I208-Q211 PolarHBondContact O-N 2.94Å; I208-Y212 WeakPolarHBondContact O-CB 3.47Å; I208-Y212 PolarHBondContact O-N 3.24Å
209E65.1Low61.7Low132 Ų132117.8 Ų117.862%0.61757%0.573SS**Hα-helixtrans-61.7-45.5174-79.4-156.7123.100112.1T205 Q211 Y212 H213T205-E209 PolarHBondContact O-N 3.15Å; E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.05Å; E209-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 VanDerWaalsContact O-N 3.14Å; E209-H213 PolarHBondContact O-N 3.32Å
210Q70Confident63.8Low134 Ų134112.2 Ų112.263%0.62656%0.557SS**Hα-helixtrans-61.8-39177.3-74.9-178.221.900112.7D206 H214D206-Q210 WeakPolarHBondContact O-CB 3.11Å; D206-Q210 WeakPolarHBondContact O-CG 3.43Å; D206-Q210 PolarHBondContact O-N 3.43Å; Q210-H214 WeakPolarHBondContact O-CB 3.45Å; Q210-H214 PolarHBondContact O-N 3.47Å
211Q71.4Confident65.3Low109 Ų109113.6 Ų113.651%0.50956%0.555SS.*Hα-helixtrans-65.3-40.9172.8-76.2-63.3-56.900112.2F207 I208 E209 H214 L215F207-Q211 HydrophobicContact CD1-CG 4.17Å; F207-Q211 HydrophobicContact CE1-CG 3.98Å; F207-Q211 WeakPolarHBondContact O-CB 3.45Å; F207-Q211 WeakPolarHBondContact O-CG 3.49Å; F207-Q211 PolarHBondContact O-N 3.29Å; I208-Q211 PolarHBondContact O-N 2.94Å; E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.05Å; Q211-H214 PolarHBondContact O-N 2.87Å; Q211-L215 WeakPolarHBondContact O-CB 3.5Å; Q211-L215 PolarHBondContact O-N 3.44Å
212Y71.5Confident66.7Low143 Ų143113.9 Ų113.956%0.56155%0.553SS**Hα-helixtrans-66.4-42.2179.5-152.7-93.6000111.9I208 E209 L215 M216I208-Y212 WeakPolarHBondContact O-CB 3.47Å; I208-Y212 PolarHBondContact O-N 3.24Å; E209-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 VanDerWaalsContact O-N 3.14Å; Y212-L215 PolarHBondContact O-N 3.49Å; Y212-M216 HydrophobicContact CD1-CE 4.42Å; Y212-M216 HydrophobicContact CD1-CG 4.31Å; Y212-M216 HydrophobicContact CE1-CE 3.56Å; Y212-M216 HydrophobicContact CE1-CG 4.3Å; Y212-M216 WeakPolarHBondContact O-CG 3.27Å; Y212-M216 PolarHBondContact O-N 3.15Å
213H74Confident67.7Low133 Ų133111.7 Ų111.762%0.61654%0.539SS*.Hα-helixtrans-62.3-47.7174.9-123-70.9000111.6E209 L215 M216 D217E209-H213 PolarHBondContact O-N 3.32Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 3.47Å; H213-M216 PolarHBondContact O-N 3.21Å; H213-D217 PolarHBondContact O-N 3.14Å
214H78Confident68.4Low113 Ų113111.8 Ų111.852%0.52354%0.536SS..Hα-helixtrans-63.3-35.8179-17167.9000112.8Q210 Q211 Q218Q210-H214 WeakPolarHBondContact O-CB 3.45Å; Q210-H214 PolarHBondContact O-N 3.47Å; Q211-H214 PolarHBondContact O-N 2.87Å; H214-Q218 WeakPolarHBondContact O-CB 3.33Å; H214-Q218 PolarHBondContact O-N 2.95Å
215L77.2Confident69Low107 Ų107110.9 Ų110.956%0.5654%0.537SS*.Hα-helixtrans-68.5-37.5176-168.367.8000111.9Q211 Y212 H213 Q218 Q219Q211-L215 WeakPolarHBondContact O-CB 3.5Å; Q211-L215 PolarHBondContact O-N 3.44Å; Y212-L215 PolarHBondContact O-N 3.49Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 3.47Å; L215-Q218 PolarHBondContact O-N 3.12Å; L215-Q219 PolarHBondContact O-N 3.19Å
216M76.6Confident69.1Low82 Ų82112.2 Ų112.240%0.40454%0.538SS..Hα-helixtrans-68-44.7175.3-74.3-64.1175.200112.3Y212 H213 Q218 Q219 Q220Y212-M216 HydrophobicContact CD1-CE 4.42Å; Y212-M216 HydrophobicContact CD1-CG 4.31Å; Y212-M216 HydrophobicContact CE1-CE 3.56Å; Y212-M216 HydrophobicContact CE1-CG 4.3Å; Y212-M216 WeakPolarHBondContact O-CG 3.27Å; Y212-M216 PolarHBondContact O-N 3.15Å; H213-M216 PolarHBondContact O-N 3.21Å; M216-Q218 VanDerWaalsContact C-N 3.3Å; M216-Q218 PolarHBondContact O-N 3.28Å; M216-Q219 PolarHBondContact O-N 3.33Å; M216-Q219 VanDerWaalsContact O-N 3.14Å; M216-Q220 WeakPolarHBondContact O-CB 3.39Å; M216-Q220 PolarHBondContact O-N 2.74Å
217D75.8Confident69.2Low81 Ų81113 Ų11343%0.43354%0.539SS..Hα-helixtrans-58.7-42.2173.6-78.1-41.4000111.6H213 Q219 Q220 Q221H213-D217 PolarHBondContact O-N 3.14Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 3.03Å; D217-Q220 PolarHBondContact O-N 3.38Å; D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.36Å
218Q78.3Confident68.9Low100 Ų100110.9 Ų110.947%0.46754%0.537SS..Hα-helixtrans-66.4-31.9177.4-164.7-175.6115.900112.7H214 L215 M216 Q222H214-Q218 WeakPolarHBondContact O-CB 3.33Å; H214-Q218 PolarHBondContact O-N 2.95Å; L215-Q218 PolarHBondContact O-N 3.12Å; M216-Q218 VanDerWaalsContact C-N 3.3Å; M216-Q218 PolarHBondContact O-N 3.28Å; Q218-Q222 WeakPolarHBondContact O-CG 3.5Å; Q218-Q222 PolarHBondContact O-N 2.83Å; Q218-Q222 PolarHBondContact O-NE2 3.48Å
219Q72.4Confident68.3Low86 Ų86108.5 Ų108.540%0.40253%0.53SS..Hα-helixtrans-72.4-42.7173-157.5-162.610500111.1L215 M216 D217 Q221 Q222 Q223L215-Q219 PolarHBondContact O-N 3.19Å; M216-Q219 PolarHBondContact O-N 3.33Å; M216-Q219 VanDerWaalsContact O-N 3.14Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 3.03Å; Q219-Q221 PolarHBondContact O-N 3.33Å; Q219-Q222 WeakPolarHBondContact O-CB 3.44Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q219-Q222 VanDerWaalsContact O-N 3.13Å; Q219-Q223 PolarHBondContact O-N 3.09Å; Q219-Q223 VanDerWaalsContact OE1-NE2 3.14Å
220Q74.2Confident67.7Low129 Ų129106.8 Ų106.860%0.60353%0.525SS*.Hα-helixtrans-67-37.2-178.1-156.5167.5102.700112.1M216 D217 Q222 Q223 H224M216-Q220 WeakPolarHBondContact O-CB 3.39Å; M216-Q220 PolarHBondContact O-N 2.74Å; D217-Q220 PolarHBondContact O-N 3.38Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 3.47Å; Q220-Q223 PolarHBondContact O-N 3.01Å; Q220-H224 PolarHBondContact O-N 3.28Å
221Q73Confident66.8Low142 Ų142105.6 Ų105.666%0.66452%0.523SS*.Hα-helixtrans-65.5-32.4171.1-73-172.27.800113.5D217 Q219 S225D217-Q221 WeakPolarHBondContact O-CG 3.43Å; D217-Q221 PolarHBondContact O-N 3.36Å; Q219-Q221 PolarHBondContact O-N 3.33Å; Q221-S225 WeakPolarHBondContact O-CB 3.49Å; Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 3.48Å
222Q69.9Low65.8Low108 Ų108106.1 Ų106.151%0.50553%0.529SS..Hα-helixtrans-69.4-41.1173.5-76.4173.787.600111.7Q218 Q219 Q220 S225 M226Q218-Q222 WeakPolarHBondContact O-CG 3.5Å; Q218-Q222 PolarHBondContact O-N 2.83Å; Q218-Q222 PolarHBondContact O-NE2 3.48Å; Q219-Q222 WeakPolarHBondContact O-CB 3.44Å; Q219-Q222 PolarHBondContact O-N 3.13Å; Q219-Q222 VanDerWaalsContact O-N 3.13Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 3.47Å; Q222-S225 PolarHBondContact O-N 3Å; Q222-M226 WeakPolarHBondContact O-CE 3.46Å; Q222-M226 WeakPolarHBondContact O-CG 3.46Å; Q222-M226 PolarHBondContact O-N 3.09Å; Q222-M226 VanDerWaalsContact O-N 3.09Å
223Q63.9Low64.7Low101 Ų101102.9 Ų102.947%0.47253%0.527SS..Hα-helixtrans-61-48.5173.6-64.5-169.527.100111.4Q219 Q220 S225 M226 E227Q219-Q223 PolarHBondContact O-N 3.09Å; Q219-Q223 VanDerWaalsContact OE1-NE2 3.14Å; Q220-Q223 PolarHBondContact O-N 3.01Å; Q223-S225 VanDerWaalsContact C-N 3.27Å; Q223-S225 PolarHBondContact O-N 2.74Å; Q223-M226 PolarHBondContact O-N 3.32Å; Q223-E227 PolarHBondContact O-N 3.38Å
224H65.9Low63.5Low121 Ų121103.2 Ų103.256%0.5653%0.529SS*.Hα-helixtrans-61.6-32176.2-102.9-24.5000113.6Q220 E227 T228Q220-H224 PolarHBondContact O-N 3.28Å; H224-E227 IonicContact ND1-OE2 2.69Å; H224-T228 WeakPolarHBondContact O-CB 3.41Å; H224-T228 VanDerWaalsContact O-CG2 3.31Å; H224-T228 WeakPolarHBondContact O-CG2 3.41Å; H224-T228 PolarHBondContact O-N 3.02Å; H224-T228 PolarHBondContact O-OG1 3.38Å
225S57.8Low62Low73 Ų73107.7 Ų107.751%0.5154%0.541SS..Hα-helixtrans-68.8-32173.4-60.80000112.8Q221 Q222 Q223 T228 S229Q221-S225 WeakPolarHBondContact O-CB 3.49Å; Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 3.48Å; Q222-S225 PolarHBondContact O-N 3Å; Q223-S225 VanDerWaalsContact C-N 3.27Å; Q223-S225 PolarHBondContact O-N 2.74Å; S225-T228 PolarHBondContact O-OG1 3.04Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 3.17Å
226M56Low60.6Low114 Ų114106.5 Ų106.556%0.56254%0.542SS*.Hα-helixtrans-78.6-32.2176.5-71.5-173.4-76.300113.3Q222 Q223 S229 N230Q222-M226 WeakPolarHBondContact O-CE 3.46Å; Q222-M226 WeakPolarHBondContact O-CG 3.46Å; Q222-M226 PolarHBondContact O-N 3.09Å; Q222-M226 VanDerWaalsContact O-N 3.09Å; Q223-M226 PolarHBondContact O-N 3.32Å; M226-S229 PolarHBondContact O-OG 2.84Å; M226-S229 VanDerWaalsContact O-OG 3.14Å; M226-N230 PolarHBondContact O-N 3.27Å; M226-N230 PolarHBondContact O-ND2 3.49Å
227E53.8Low59.2Low117 Ų117107.3 Ų107.355%0.54756%0.556SS.*Hα-helixtrans-73.2-46.4172.4-79.2-168.4102.900112.8Q223 H224 S229 N230 L231Q223-E227 PolarHBondContact O-N 3.38Å; H224-E227 IonicContact ND1-OE2 2.69Å; E227-S229 VanDerWaalsContact C-N 3.28Å; E227-S229 PolarHBondContact O-N 2.97Å; E227-N230 PolarHBondContact O-N 3.37Å; E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 WeakPolarHBondContact O-CG 3.31Å; E227-L231 PolarHBondContact O-N 2.8Å
228T57.3Low57.8Low88 Ų88112.7 Ų112.754%0.5458%0.575SS.*Hα-helixtrans-63-33.8-178.649.10000112.7H224 S225 N232H224-T228 WeakPolarHBondContact O-CB 3.41Å; H224-T228 VanDerWaalsContact O-CG2 3.31Å; H224-T228 WeakPolarHBondContact O-CG2 3.41Å; H224-T228 PolarHBondContact O-N 3.02Å; H224-T228 PolarHBondContact O-OG1 3.38Å; S225-T228 PolarHBondContact O-OG1 3.04Å; T228-N232 PolarHBondContact O-N 2.95Å
229S52.9Low56.1Low65 Ų65119 Ų11946%0.45560%0.595SS.*Hα-helixtrans-70.9-42.8173.449.80000112.8S225 M226 E227 N232 S233S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 2.8Å; S225-S229 PolarHBondContact O-OG 3.17Å; M226-S229 PolarHBondContact O-OG 2.84Å; M226-S229 VanDerWaalsContact O-OG 3.14Å; E227-S229 VanDerWaalsContact C-N 3.28Å; E227-S229 PolarHBondContact O-N 2.97Å; S229-N232 PolarHBondContact O-N 2.74Å; S229-S233 PolarHBondContact O-N 3.3Å; S229-S233 PolarHBondContact O-OG 3.34Å
230N51.9Low54.5Low96 Ų96118.3 Ų118.351%0.51361%0.611SS.*Hα-helixtrans-63.5-44.3176-91.2-76.2000113.2M226 E227 N232 S233 Q234M226-N230 PolarHBondContact O-N 3.27Å; M226-N230 PolarHBondContact O-ND2 3.49Å; E227-N230 PolarHBondContact O-N 3.37Å; N230-N232 VanDerWaalsContact C-N 3.26Å; N230-N232 PolarHBondContact O-N 2.91Å; N230-S233 PolarHBondContact O-N 3.21Å; N230-Q234 PolarHBondContact O-N 3.49Å
231L51.7Low52.9Low109 Ų109117.5 Ų117.557%0.57162%0.62SS**Hα-helixtrans-62.8-32.8-179.7-74.6168.1000112.5E227 R235E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 WeakPolarHBondContact O-CG 3.31Å; E227-L231 PolarHBondContact O-N 2.8Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.36Å; L231-R235 VanDerWaalsContact O-N 3.14Å
232N49.6Very low51.4Low121 Ų121120 Ų12065%0.64763%0.628SS**Hα-helixtrans-76.5-40.2178.7-133.60.5000112T228 S229 N230 R235 S236T228-N232 PolarHBondContact O-N 2.95Å; S229-N232 PolarHBondContact O-N 2.74Å; N230-N232 VanDerWaalsContact C-N 3.26Å; N230-N232 PolarHBondContact O-N 2.91Å; N232-R235 PolarHBondContact O-N 3.34Å; N232-S236 PolarHBondContact O-N 2.95Å; N232-S236 VanDerWaalsContact O-N 3.11Å
233S48.3Very low50.1Low74 Ų74121.8 Ų121.852%0.51765%0.646SS.*Hα-helixtrans-58-50.4171.9-69.30000111.5S229 N230 R235 S236 S237S229-S233 PolarHBondContact O-N 3.3Å; S229-S233 PolarHBondContact O-OG 3.34Å; N230-S233 PolarHBondContact O-N 3.21Å; S233-R235 VanDerWaalsContact C-N 3.34Å; S233-R235 PolarHBondContact O-N 3.22Å; S233-S236 PolarHBondContact O-N 3.42Å; S233-S236 PolarHBondContact O-OG 3.4Å; S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.33Å
234Q49.6Very low48.9Very low141 Ų141122.7 Ų122.766%0.65966%0.664SS**Hα-helixtrans-67-28.8-179.5-67.2-167.311.300114.1N230N230-Q234 PolarHBondContact O-N 3.49Å
235R46.2Very low48.1Very low207 Ų207124.6 Ų124.678%0.78168%0.677SS**Hα-helixtrans-73.8-29.1173.1-87.7-174.7164.5-172.1-2113.6L231 N232 S233L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.36Å; L231-R235 VanDerWaalsContact O-N 3.14Å; N232-R235 PolarHBondContact O-N 3.34Å; S233-R235 VanDerWaalsContact C-N 3.34Å; S233-R235 PolarHBondContact O-N 3.22Å
236S47.5Very low47.4Very low82 Ų82129 Ų12957%0.57370%0.695SS**Hα-helixtrans-71.8-45.7177.575.20000112.5N232 S233 K238N232-S236 PolarHBondContact O-N 2.95Å; N232-S236 VanDerWaalsContact O-N 3.11Å; S233-S236 PolarHBondContact O-N 3.42Å; S233-S236 PolarHBondContact O-OG 3.4Å; S236-K238 PolarHBondContact O-N 3.11Å
237S48.1Very low46.6Very low99 Ų99128.6 Ų128.669%0.69270%0.704SS**THydrogen-bonded Turntrans-72.80.2-172.1-49.30000115.4S233S233-S237 PolarHBondContact O-N 3.32Å; S233-S237 PolarHBondContact O-OG 3.33Å
238K46.3Very low46.1Very low193 Ų193131 Ų13184%0.83972%0.717SS**THydrogen-bonded Turntrans-114.112.4-178.1-109.1171.1-177.9169.50115.5S236S236-K238 PolarHBondContact O-N 3.11Å
239R42.1Very low45.2Very low233 Ų233134.3 Ų134.388%0.87973%0.731SS**THydrogen-bonded Turntrans-117.8-12.8171.4-71.5-172.4174.8-171.7-1.3115.4S241R239-S241 PolarHBondContact O-N 3.01Å; R239-S241 VanDerWaalsContact O-N 3.15Å
240G38.1Very low44.6Very low72 Ų72139.6 Ų139.674%0.74275%0.751SS**  trans-85.963-179.300000114.8
241S42Very low43.9Very low112 Ų112140.7 Ų140.778%0.78377%0.765SS**  trans-157.862.2174.5-80.70000113.8R239R239-S241 PolarHBondContact O-N 3.01Å; R239-S241 VanDerWaalsContact O-N 3.15Å
242K41.5Very low43.4Very low195 Ų195143 Ų14385%0.84878%0.778SS**SBendtrans-168.9166.2157.3-101.3142.1-171.8176.50108.3
243T42.4Very low42.7Very low144 Ų144143.5 Ų143.588%0.88378%0.78SS**  trans52.385179.459.80000115.6
244S39.1Very low42.3Very low120 Ų120144.6 Ų144.684%0.83979%0.788SS**  trans-134.277156.9179.40000109.4
245L48.1Very low41.8Very low161 Ų161145.3 Ų145.384%0.84380%0.796SS**  trans-138.1126.7165.7-77.5179.2000108.9
246N42.2Very low41.3Very low166 Ų166143 Ų14389%0.88880%0.798SS**  trans63.3118.2168.9-56.6-8.1000117.3
247S40.6Very low40.8Very low106 Ų106142.2 Ų142.274%0.74180%0.803SS**  trans-103.2-171.3166.9-166.20000109.4
248M42.4Very low40.4Very low166 Ų166142.9 Ų142.982%0.81881%0.808SS**  trans72.6133.7-174.6-55.5124-165.700113.1
249D39.3Very low40.3Very low158 Ų158139.5 Ų139.585%0.84581%0.809SS**  cis-124.8169.611.3-81.2-60.4000114.6
250M38.9Very low40.2Very low177 Ų177135.2 Ų135.287%0.87280%0.803SS**  trans-115.5169.3174.2-91.9-160.6-178.700111.9
251C38.5Very low40.6Very low119 Ų119137.7 Ų137.780%0.80480%0.798SS**  trans74.8158.3170.3-53.90000115.1
252N40.1Very low40.6Very low156 Ų156139.1 Ų139.183%0.83480%0.797SS**  cis-142.21705.8-152.20.1000114.3
253N36.1Very low40.7Very low132 Ų132134.4 Ų134.471%0.70679%0.788SS**  trans-61155.9-174.8-168.933.8000117.8
254S39.4Very low40.8Very low98 Ų98132 Ų13269%0.68578%0.777SS**  trans35.7133.8156-64.20000122.5
255N38.8Very low41.3Very low155 Ų155133.9 Ų133.983%0.82977%0.772SS**  -168.8-179.895.4-151.90.5000113.5
256I35.3Very low41Very low159 Ų159132.7 Ų132.782%0.81577%0.767SS**  trans-88.4144.5-169.5-68.3161.8000114.3
257G38.6Very low41Very low66 Ų66131.3 Ų131.368%0.6876%0.759SS**  trans86163.4157.800000116
258S39.4Very low41.2Very low112 Ų112131.1 Ų131.178%0.78376%0.758SS**  cis-166.1157.5-11.9-88.30000108.8
259S43.1Very low41Very low123 Ų123129.9 Ų129.986%0.8676%0.755SS**  trans70152.5165.9-61.20000117.5
260N40.9Very low41.3Very low142 Ų142126.7 Ų126.776%0.75975%0.745SS**  cis-171.2178.4-20.3-177.322.4000108.6
261I46.1Very low41.4Very low124 Ų124125 Ų12564%0.63674%0.739SS**  trans92.896156.4-52.1-176.5000118.2
262N41.9Very low41.6Very low143 Ų143125.8 Ų125.877%0.76574%0.736SS**  trans62.8154.7135.6-58.72000121.5
263S43.7Very low41.8Very low96 Ų96125.4 Ų125.467%0.67173%0.734SS**  cis-168.6148.4-24.9-82.60000106
264S44.4Very low42Very low92 Ų92125 Ų12564%0.64374%0.741SS**  169.5142.275.7-102.40000109.7
265H48.4Very low41.9Very low160 Ų160123.8 Ų123.874%0.74174%0.744SS**  trans42.4144.4141.8-50.9104.2000121.4
266N43.6Very low41.9Very low136 Ų136123.8 Ų123.873%0.72774%0.744SS**  cis-162.6128.1-6.8-102.3-17.5000105.9
267N41.3Very low42.1Very low137 Ų137122.3 Ų122.373%0.73374%0.743SS**  90.9135.773.9-168.228.7000114.2
268S45.4Very low42.1Very low103 Ų103124.2 Ų124.272%0.7275%0.746SS**  trans68.1148.2171-66.50000119.6
269N38.1Very low41.8Very low140 Ų140128.2 Ų128.275%0.74975%0.75SS**  cis-165.7134.2-24.2-17121000111.7
270S44.6Very low41.5Very low90 Ų90129.5 Ų129.563%0.62975%0.747SS**  trans31.3151.9151.9-54.60000126.2
271N42.8Very low41.2Very low141 Ų141128 Ų12875%0.75474%0.743SS**  trans96.690.9145.8-65.9-21.8000123.1
272N42.7Very low40.6Very low137 Ų137129.4 Ų129.473%0.73375%0.752SS**  52.4133110.4-60.1-5.6000124.8
273N43.1Very low40.3Very low147 Ų147127.7 Ų127.779%0.78675%0.748SS**  trans82.4111.1141-74.22.6000123.7
274S40.2Very low39.9Very low124 Ų124133 Ų13387%0.86776%0.759SS**  50.7124.8125.2-54.40000122.9
275G38.2Very low39.3Very low73 Ų73133.9 Ų133.975%0.75377%0.766SS**  trans172.1102.315800000117.7
276N38.8Very low39Very low154 Ų154137.9 Ų137.982%0.82477%0.774SS**  trans51.3116.3145.6-68.75.5000123.9
277T38.6Very low38.6Very low128 Ų128137.2 Ų137.279%0.78577%0.771SS**  33.1129.5125.762.90000122
278S38.9Very low38.5Very low106 Ų106137.9 Ų137.974%0.74177%0.773SS**  -174.1175107.4-158.30000112.1
279F32.8Very low38.1Very low197 Ų197139.8 Ų139.886%0.86478%0.776SS**  trans-93.5145-169.9-47.9-100.1000113.9
280N37.1Very low38.1Very low150 Ų150137.4 Ų137.480%0.80278%0.775SS**  -162.5164.4124.6-140.4-10.7000115.2
281T34.8Very low37.9Very low111 Ų111139.2 Ų139.268%0.68178%0.782SS**  trans-27126.9174.244.90000120
282N33.8Very low37.7Very low153 Ų153138.6 Ų138.682%0.81878%0.783SS**  -167.1173.690.3-117.7-18.6000110.4
283P35.5Very low37.6Very low107 Ų107137.8 Ų137.870%0.69578%0.779SS**  trans-94.4-168.8-16137.3-37.4000114.2
284K34.7Very low37.4Very low207 Ų207135.9 Ų135.990%0.978%0.777SS**  trans88.344.4149.6-149.8175.6-175.2177.40117.9
285S32.4Very low37.5Very low111 Ų111137 Ų13778%0.77677%0.774SS**  trans-146.251.7164.952.70000114.1N287S285-N287 PolarHBondContact O-N 3.16Å
286R41.7Very low37.8Very low243 Ų243138.4 Ų138.492%0.91776%0.764SS**  trans-66.793.9166.2-84.9-170.8-78.2152.4-6.1109.7
287N35.6Very low37.8Very low123 Ų123137.8 Ų137.866%0.65876%0.76SS**  trans-64.2131.5178.4-175.7-86000110.8S285 N289S285-N287 PolarHBondContact O-N 3.16Å; N287-N289 VanDerWaalsContact C-N 3.28Å; N287-N289 PolarHBondContact O-N 3.17Å; N287-N289 PolarHBondContact OD1-ND2 3.19Å
288L39.3Very low37.8Very low150 Ų150140.3 Ų140.379%0.78576%0.761SS**SBendtrans-80.674-179.6-74.882.8000111.1
289N37.4Very low37.8Very low144 Ų144138.3 Ų138.377%0.7775%0.747SS**  trans-122.849.7163.7-85-60.3000110.5N287N287-N289 VanDerWaalsContact C-N 3.28Å; N287-N289 PolarHBondContact O-N 3.17Å; N287-N289 PolarHBondContact OD1-ND2 3.19Å
290A37.4Very low38.2Very low89 Ų89131.1 Ų131.174%0.73672%0.721SS**  trans-129.938174.400000111
291V40.9Very low38.8Very low129 Ų129128.7 Ų128.778%0.78271%0.708SS**  trans-114.256.5173-169.80000108.7
292T38.1Very low39.7Very low127 Ų127125.8 Ų125.878%0.77969%0.69SS**SBendtrans-152133.2174.9-49.40000108.4
293N40.6Very low40.9Very low121 Ų121122.1 Ų122.165%0.64767%0.671SS**SBendtrans6845.7167.1-153.635.4000119.4N296N293-N296 PolarHBondContact OD1-ND2 3.26Å
294S38.9Very low42.1Very low106 Ų106121.1 Ų121.174%0.74166%0.659SS**SBendtrans-105.4-13.6161.1-58.40000114.3N296S294-N296 PolarHBondContact O-N 3.02Å
295N42.5Very low43.6Very low148 Ų148113 Ų11379%0.79163%0.629SS**THydrogen-bonded Turntrans-91.19.2-174.7-67.512.6000114.1
296N43.2Very low45.6Very low103 Ų103110.1 Ų110.155%0.55160%0.603SS**THydrogen-bonded Turntrans-103.7-0.1-176-75.4-32.3000114.6N293 S294N293-N296 PolarHBondContact OD1-ND2 3.26Å; S294-N296 PolarHBondContact O-N 3.02Å
297N39.1Very low47.6Very low140 Ų140102.4 Ų102.475%0.74958%0.578SS**THydrogen-bonded Turntrans-976-176.5-107.4-17.8000115.8S300N297-S300 PolarHBondContact OD1-OG 3.38Å
298F39.9Very low50.3Low181 Ų18198.1 Ų98.179%0.79455%0.552SS**THydrogen-bonded Turntrans-94.3-31.4164.2-161.9-106.2000111.6
299S38.8Very low53Low64 Ų6493.4 Ų93.445%0.44853%0.525SS..Hα-helixtrans-76.8-30.1-179.2-50.10000113.7N301 T302 N303S299-N301 PolarHBondContact O-N 3.16Å; S299-T302 PolarHBondContact O-N 3.02Å; S299-T302 PolarHBondContact O-OG1 3.34Å; S299-N303 PolarHBondContact O-N 3.4Å
300S41.1Very low55.8Low46 Ų4686.6 Ų86.632%0.32249%0.489SS..Hα-helixtrans-59.3-46177.448.40000112.4N297 T302 N304N297-S300 PolarHBondContact OD1-OG 3.38Å; S300-T302 VanDerWaalsContact C-N 3.28Å; S300-T302 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-N 3.19Å; S300-N304 PolarHBondContact O-OD1 3.05Å
301N49.6Very low58.6Low100 Ų10084.7 Ų84.754%0.53546%0.464SS..Hα-helixtrans-73-19.1-178.7-154.44.9000113.2S299 S305S299-N301 PolarHBondContact O-N 3.16Å; N301-S305 VanDerWaalsContact O-CB 3.28Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.48Å; N301-S305 PolarHBondContact O-OG 3.05Å
302T54Low61.2Low50 Ų5078.5 Ų78.531%0.30743%0.427SS..Hα-helixtrans-72.7-46.9174.461.20000112.3S299 S300 S305 E306S299-T302 PolarHBondContact O-N 3.02Å; S299-T302 PolarHBondContact O-OG1 3.34Å; S300-T302 VanDerWaalsContact C-N 3.28Å; S300-T302 PolarHBondContact O-N 3.09Å; T302-S305 PolarHBondContact O-N 2.97Å; T302-E306 PolarHBondContact O-N 2.74Å
303N57.3Low64Low76 Ų7672.7 Ų72.741%0.40639%0.392SS..Hα-helixtrans-62.6-49.3179.5-61.55.3000110.3S299 S305 E306 E307S299-N303 PolarHBondContact O-N 3.4Å; N303-S305 PolarHBondContact O-N 3.32Å; N303-E306 PolarHBondContact O-N 3.36Å; N303-E306 VanDerWaalsContact O-N 3.1Å; N303-E307 PolarHBondContact O-N 2.98Å
304N60.9Low66.6Low85 Ų8571.1 Ų71.146%0.45538%0.382SS..Hα-helixtrans-59.4-21.4174.7-64.918.5000113.2S300 R308S300-N304 PolarHBondContact O-N 3.19Å; S300-N304 PolarHBondContact O-OD1 3.05Å; N304-R308 WeakPolarHBondContact O-CB 3.4Å; N304-R308 WeakPolarHBondContact O-CD 3.43Å; N304-R308 WeakPolarHBondContact O-CG 3.49Å; N304-R308 PolarHBondContact O-NE 3.32Å
305S67.6Low69.2Low36 Ų3666.4 Ų66.425%0.25235%0.348SS..Hα-helixtrans-89-32.4176.6-63.90000113N301 T302 N303 R308 K309N301-S305 VanDerWaalsContact O-CB 3.28Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.48Å; N301-S305 PolarHBondContact O-OG 3.05Å; T302-S305 PolarHBondContact O-N 2.97Å; N303-S305 PolarHBondContact O-N 3.32Å; S305-R308 PolarHBondContact O-N 3.37Å; S305-R308 PolarHBondContact OG-NH2 3.14Å; S305-R308 VanDerWaalsContact OG-NH2 3.15Å; S305-K309 PolarHBondContact O-N 3.43Å
306E74.1Confident71.6Confident52 Ų5259.9 Ų59.924%0.24331%0.314CS..Hα-helixtrans-66.2-45.6170.7-68.2173.4-169.700109.3T302 N303 R308 K309 S388 K390T302-E306 PolarHBondContact O-N 2.74Å; N303-E306 PolarHBondContact O-N 3.36Å; N303-E306 VanDerWaalsContact O-N 3.1Å; E306-R308 PolarHBondContact O-N 3.24Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-S388 WeakPolarHBondContact OE2-CB 3.46Å; E306-S388 PolarHBondContact OE2-OG 2.82Å; E306-K390 IonicContact OE1-NZ 3.47Å; E306-K390 PolarHBondContact OE1-NZ 3.1Å; E306-K390 IonicContact OE2-NZ 2.68Å
307E83.1Confident73.9Confident81 Ų8163 Ų6338%0.37932%0.323SS..THydrogen-bonded Turntrans-71.4-6.3177.7-67.4170.8-148.300114.8N303 Q358 F385N303-E307 PolarHBondContact O-N 2.98Å; E307-Q358 HydrophobicContact CB-CG 4.42Å; E307-Q358 PolarHBondContact OE2-NE2 3.41Å; E307-F385 WeakPolarHBondContact O-CE1 3.48Å
308R92.9Very high76.4Confident33 Ų3364.1 Ų64.113%0.12532%0.324CS..THydrogen-bonded Turntrans-101.4-9.7172.7-80.9-175.7-64.1149.94.9114.2N304 S305 E306 E335 K354 F355 S356 Q358N304-R308 WeakPolarHBondContact O-CB 3.4Å; N304-R308 WeakPolarHBondContact O-CD 3.43Å; N304-R308 WeakPolarHBondContact O-CG 3.49Å; N304-R308 PolarHBondContact O-NE 3.32Å; S305-R308 PolarHBondContact O-N 3.37Å; S305-R308 PolarHBondContact OG-NH2 3.14Å; S305-R308 VanDerWaalsContact OG-NH2 3.15Å; E306-R308 PolarHBondContact O-N 3.24Å; R308-E335 IonicContact NH1-OE1 3.92Å; R308-E335 PolarHBondContact NH1-OE1 3.34Å; R308-K354 HydrophobicContact CB-CG 4.45Å; R308-K354 WeakPolarHBondContact O-CA 3.46Å; R308-F355 WeakPolarHBondContact CD-O 3.22Å; R308-F355 PolarHBondContact O-N 2.88Å; R308-F355 VanDerWaalsContact O-N 3.13Å; R308-S356 WeakPolarHBondContact CD-O 3.07Å; R308-S356 PolarHBondContact NH1-O 3.17Å; R308-Q358 HydrophobicContact CG-CB 4.26Å
309K94.7Very high78.8Confident51 Ų5157.3 Ų57.322%0.22229%0.294CS..EExtended strand (participates in β ladder)trans-98.7126.1-179.1-162.1155.9-169.9155.40109.9S305 E306 E336 F352 K354 A386S305-K309 PolarHBondContact O-N 3.43Å; E306-K309 PolarHBondContact O-N 3.32Å; K309-E336 IonicContact NZ-OE1 2.76Å; K309-E336 PolarHBondContact NZ-OE1 2.95Å; K309-E336 IonicContact NZ-OE2 2.69Å; K309-E336 PolarHBondContact NZ-OE2 3.47Å; K309-F352 HydrophobicContact CG-CB 4.38Å; K309-F352 HydrophobicContact CG-CD1 4.42Å; K309-K354 HydrophobicContact CB-CG 4.45Å; K309-K354 HydrophobicContact CG-CB 4.44Å; K309-A386 HydrophobicContact CB-CB 4.12Å; K309-A386 HydrophobicContact CG-CB 4.08Å; K309-A386 VanDerWaalsContact O-CB 3.31Å; K309-A386 WeakPolarHBondContact O-CB 3.34Å; K309-A386 PolarHBondContact O-N 2.91Å
310L96.3Very high81.4Confident0 Ų058.1 Ų58.10%029%0.293CS..EExtended strand (participates in β ladder)trans-103.2136.6177.8-57.9-172.8000110.3F328 F352 V353 F355 A361 A364 I365 V383 K384 F385L310-F328 HydrophobicContact CD1-CD1 4.44Å; L310-F328 HydrophobicContact CD1-CE1 4.02Å; L310-F352 VanDerWaalsContact O-CA 3.27Å; L310-F352 WeakPolarHBondContact O-CA 3.36Å; L310-F352 WeakPolarHBondContact O-CD1 3.24Å; L310-V353 PolarHBondContact N-O 3.03Å; L310-V353 PolarHBondContact O-N 2.96Å; L310-F355 HydrophobicContact CD1-CD2 4.07Å; L310-F355 HydrophobicContact CD1-CE2 3.71Å; L310-A361 HydrophobicContact CD1-CB 4.43Å; L310-A361 HydrophobicContact CD2-CB 4.02Å; L310-A361 HydrophobicContact CG-CB 4.25Å; L310-A364 HydrophobicContact CD1-CB 4.02Å; L310-I365 HydrophobicContact CD1-CG1 4.22Å; L310-I365 HydrophobicContact CD2-CD1 3.55Å; L310-I365 HydrophobicContact CD2-CG1 3.7Å; L310-V383 HydrophobicContact CD1-CG1 3.82Å; L310-K384 CarbonylContact C-O 3.55Å; L310-K384 VanDerWaalsContact CA-O 3.22Å; L310-K384 WeakPolarHBondContact CA-O 3.21Å; L310-F385 HydrophobicContact CD2-CD1 3.82Å; L310-F385 HydrophobicContact CD2-CE1 4.12Å
311F96.5Very high83.9Confident49 Ų4959.7 Ų59.722%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-86.3127158.7174.9-89.1000108.9C350 F352 K384 A386F311-C350 HydrophobicContact CE2-CB 3.78Å; F311-C350 HydrophobicContact CZ-CB 3.63Å; F311-F352 HydrophobicContact CB-CD1 4.26Å; F311-F352 HydrophobicContact CB-CE1 4Å; F311-F352 HydrophobicContact CD2-CD1 4.43Å; F311-F352 AromaticContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CZ 4.23Å; F311-F352 HydrophobicContact CG-CE1 4.44Å; F311-K384 HydrophobicContact CB-CG 4.33Å; F311-K384 HydrophobicContact CD1-CD 4.48Å; F311-K384 VanDerWaalsContact CD1-CE 3.47Å; F311-K384 HydrophobicContact CD1-CG 4.17Å; F311-K384 PolarHBondContact N-O 2.86Å; F311-K384 PolarHBondContact O-N 2.83Å; F311-A386 HydrophobicContact CB-CB 4.46Å
312V96.4Very high86.1Confident0 Ų060 Ų600%029%0.294CS..EExtended strand (participates in β ladder)trans-112.4128.7174.6-171.60000107.9L315 F328 C350 A351 V353 I381 V382 V383V312-L315 HydrophobicContact CB-CD1 4.4Å; V312-L315 HydrophobicContact CG1-CD1 3.95Å; V312-L315 HydrophobicContact CG1-CD2 3.86Å; V312-L315 HydrophobicContact CG1-CG 3.94Å; V312-F328 HydrophobicContact CB-CZ 4.27Å; V312-F328 HydrophobicContact CG1-CE2 4.01Å; V312-F328 HydrophobicContact CG1-CZ 3.83Å; V312-F328 HydrophobicContact CG2-CE1 3.9Å; V312-F328 HydrophobicContact CG2-CE2 4.02Å; V312-F328 HydrophobicContact CG2-CZ 3.38Å; V312-C350 CarbonylContact O-C 3.53Å; V312-C350 WeakPolarHBondContact O-CA 3.41Å; V312-C350 WeakPolarHBondContact O-CB 3.36Å; V312-A351 HydrophobicContact CB-CB 4.27Å; V312-A351 PolarHBondContact N-O 2.77Å; V312-A351 PolarHBondContact O-N 3.1Å; V312-V353 HydrophobicContact CG2-CB 4.35Å; V312-V353 HydrophobicContact CG2-CG2 3.79Å; V312-I381 HydrophobicContact CG1-CD1 3.74Å; V312-I381 HydrophobicContact CG1-CG1 3.89Å; V312-V382 CarbonylContact C-O 3.52Å; V312-V382 WeakPolarHBondContact CA-O 3.22Å; V312-V383 HydrophobicContact CG1-CG2 4.42Å
313G95.9Very high88Confident5 Ų560.2 Ų60.25%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-135.5169.7179.800000112.9L315 G349 V382G313-L315 PolarHBondContact O-N 3.41Å; G313-G349 CarbonylContact C-O 3.54Å; G313-V382 PolarHBondContact N-O 3.02Å; G313-V382 PolarHBondContact O-N 3.44Å
314M95.2Very high89.8Confident88 Ų8856.6 Ų56.643%0.43327%0.274SS..SBendtrans60.631.7-171.4-49.5-56.8168.400113.2G349 A377 S380 V382M314-G349 PolarHBondContact N-O 3.17Å; M314-A377 WeakPolarHBondContact O-CB 3.46Å; M314-S380 WeakPolarHBondContact CB-O 3.14Å; M314-V382 HydrophobicContact CB-CG2 4.49Å; M314-V382 HydrophobicContact CG-CG2 3.74Å
315L94.3Very high91.5Very high7 Ų757.5 Ų57.54%0.03727%0.271CS..  trans-73.5152.4165.5-62.6172.7000110V312 G313 V324 I339 G349 A351 I381V312-L315 HydrophobicContact CB-CD1 4.4Å; V312-L315 HydrophobicContact CG1-CD1 3.95Å; V312-L315 HydrophobicContact CG1-CD2 3.86Å; V312-L315 HydrophobicContact CG1-CG 3.94Å; G313-L315 PolarHBondContact O-N 3.41Å; L315-V324 HydrophobicContact CD1-CG2 3.68Å; L315-V324 HydrophobicContact CD2-CG2 4.13Å; L315-I339 HydrophobicContact CD1-CD1 4.18Å; L315-G349 PolarHBondContact N-O 3Å; L315-G349 WeakPolarHBondContact O-CA 3.21Å; L315-A351 HydrophobicContact CD1-CB 3.73Å; L315-I381 HydrophobicContact CD2-CD1 3.72Å; L315-I381 HydrophobicContact CD2-CG1 4.16Å
316S93.1Very high92.8Very high11 Ų1160.5 Ų60.58%0.07728%0.284CS..  trans-69.9151171.4-169.10000111.2Q318 Q319 P375S316-Q318 PolarHBondContact O-N 3.14Å; S316-Q319 WeakPolarHBondContact O-CB 3.24Å; S316-Q319 PolarHBondContact O-N 3.33Å; S316-Q319 VanDerWaalsContact O-N 3.15Å; S316-P375 WeakPolarHBondContact CB-O 3.35Å; S316-P375 PolarHBondContact OG-O 3.47Å
317K91.5Very high93.8Very high169 Ų16959.5 Ų59.574%0.73528%0.28SS*.THydrogen-bonded Turntrans-66.8-19.1-179.3-66.9-175.3179.3179.40113.7S347K317-S347 WeakPolarHBondContact O-CB 3.27Å
318Q91.3Very high94.5Very high163 Ų16355.6 Ų55.676%0.76226%0.262SS*.THydrogen-bonded Turntrans-85.9-10.1177.7-69.3168.5-27.300113.2S316 N320S316-Q318 PolarHBondContact O-N 3.14Å; Q318-N320 PolarHBondContact O-ND2 3.43Å
319Q90.1Very high94.6Very high37 Ų3759.2 Ų59.217%0.17328%0.28CS..  trans-76.9130.3-177-69.4-85.6-89.200111.7S316 D323S316-Q319 WeakPolarHBondContact O-CB 3.24Å; S316-Q319 PolarHBondContact O-N 3.33Å; S316-Q319 VanDerWaalsContact O-N 3.15Å; Q319-D323 WeakPolarHBondContact CA-OD2 3.27Å; Q319-D323 VanDerWaalsContact NE2-CB 3.3Å; Q319-D323 VanDerWaalsContact NE2-CG 3.33Å; Q319-D323 PolarHBondContact NE2-OD2 3.11Å
320N92.8Very high94.7Very high81 Ų8161.7 Ų61.743%0.43330%0.301SS..  trans-99176.7179.1-62.2-70.4000111.4Q318 E322 D323 V324Q318-N320 PolarHBondContact O-ND2 3.43Å; N320-E322 PolarHBondContact O-N 3.36Å; N320-D323 PolarHBondContact N-OD2 3.41Å; N320-D323 PolarHBondContact ND2-OD2 3.14Å; N320-D323 PolarHBondContact O-N 3.35Å; N320-V324 WeakPolarHBondContact O-CG2 3.46Å; N320-V324 PolarHBondContact O-N 3.06Å
321E94.9Very high94.7Very high79 Ų7963.9 Ų63.937%0.36931%0.311SS..Hα-helixtrans-64-32.3-179.2-68.2174.416800111.7R325 C337 T338 I339E321-R325 WeakPolarHBondContact O-CB 3.38Å; E321-R325 PolarHBondContact O-N 3.47Å; E321-C337 PolarHBondContact O-SG 3.39Å; E321-C337 VanDerWaalsContact O-SG 3.34Å; E321-T338 WeakPolarHBondContact OE1-CA 3.32Å; E321-I339 HydrophobicContact CG-CB 4.16Å; E321-I339 HydrophobicContact CG-CG1 3.61Å; E321-I339 PolarHBondContact OE1-N 2.94Å
322E95.5Very high94.6Very high106 Ų10662.4 Ų62.450%0.49531%0.309SS..Hα-helixtrans-75-39.4178.1-156.862.9-165.300112.8N320 V324 R325 L326N320-E322 PolarHBondContact O-N 3.36Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 3.25Å; E322-R325 WeakPolarHBondContact O-CA 3.07Å; E322-R325 WeakPolarHBondContact O-CB 3.4Å; E322-R325 PolarHBondContact O-N 2.95Å; E322-R325 VanDerWaalsContact O-N 3.08Å; E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CG 3.05Å; E322-L326 PolarHBondContact O-N 3.32Å
323D94.1Very high94.6Very high56 Ų5666.7 Ų66.730%0.29934%0.335SS..Hα-helixtrans-60.8-41.7175.1-54.2-53.7000111.1Q319 N320 L327Q319-D323 WeakPolarHBondContact CA-OD2 3.27Å; Q319-D323 VanDerWaalsContact NE2-CB 3.3Å; Q319-D323 VanDerWaalsContact NE2-CG 3.33Å; Q319-D323 PolarHBondContact NE2-OD2 3.11Å; N320-D323 PolarHBondContact N-OD2 3.41Å; N320-D323 PolarHBondContact ND2-OD2 3.14Å; N320-D323 PolarHBondContact O-N 3.35Å; D323-L327 WeakPolarHBondContact O-CB 3.42Å; D323-L327 PolarHBondContact O-N 3.07Å; D323-L327 VanDerWaalsContact O-N 3.15Å
324V95.5Very high94.6Very high0 Ų067.1 Ų67.10%034%0.336CS..Hα-helixtrans-70.4-34174.9177.40000111.1L315 N320 E322 L327 F328 I339 A351 V353L315-V324 HydrophobicContact CD1-CG2 3.68Å; L315-V324 HydrophobicContact CD2-CG2 4.13Å; N320-V324 WeakPolarHBondContact O-CG2 3.46Å; N320-V324 PolarHBondContact O-N 3.06Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.43Å; V324-F328 HydrophobicContact CG1-CD2 4.04Å; V324-F328 HydrophobicContact CG1-CE2 4.19Å; V324-F328 VanDerWaalsContact O-CD2 3.25Å; V324-F328 WeakPolarHBondContact O-CD2 3.34Å; V324-F328 PolarHBondContact O-N 3.32Å; V324-I339 HydrophobicContact CG2-CD1 3.84Å; V324-A351 HydrophobicContact CG1-CB 4.45Å; V324-V353 HydrophobicContact CG1-CG2 3.62Å
325R96.2Very high94.6Very high103 Ų10367.5 Ų67.539%0.38934%0.337SS..Hα-helixtrans-61.7-53.8174.4-168.3-173.7-164.7133.213.1110.8E321 E322 L327 F328 E329 I334E321-R325 WeakPolarHBondContact O-CB 3.38Å; E321-R325 PolarHBondContact O-N 3.47Å; E322-R325 WeakPolarHBondContact O-CA 3.07Å; E322-R325 WeakPolarHBondContact O-CB 3.4Å; E322-R325 PolarHBondContact O-N 2.95Å; E322-R325 VanDerWaalsContact O-N 3.08Å; R325-L327 PolarHBondContact O-N 3.28Å; R325-F328 PolarHBondContact O-N 3.09Å; R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 PolarHBondContact O-N 3.27Å; R325-I334 HydrophobicContact CB-CD1 4.44Å; R325-I334 HydrophobicContact CG-CD1 3.82Å; R325-I334 WeakPolarHBondContact O-CD1 3.42Å
326L95.6Very high94.6Very high100 Ų10070.7 Ų70.752%0.52435%0.352SS..Hα-helixtrans-60-32.8179.8-68.7166.8000112.6E322 P330E322-L326 HydrophobicContact CG-CD1 4.46Å; E322-L326 WeakPolarHBondContact O-CG 3.05Å; E322-L326 PolarHBondContact O-N 3.32Å; L326-P330 WeakPolarHBondContact O-CD 3.39Å
327L94.6Very high94.7Very high30 Ų3071.5 Ų71.516%0.15736%0.357CS..Hα-helixtrans-71.7-28175.1-17959.8000113.4D323 V324 R325 L368 M374 I381D323-L327 WeakPolarHBondContact O-CB 3.42Å; D323-L327 PolarHBondContact O-N 3.07Å; D323-L327 VanDerWaalsContact O-N 3.15Å; V324-L327 PolarHBondContact O-N 3.43Å; R325-L327 PolarHBondContact O-N 3.28Å; L327-L368 HydrophobicContact CD1-CD2 3.96Å; L327-L368 HydrophobicContact CG-CD1 4.32Å; L327-L368 HydrophobicContact CG-CD2 4.31Å; L327-M374 HydrophobicContact CD2-CE 4.24Å; L327-M374 HydrophobicContact CD2-SD 4.27Å; L327-I381 HydrophobicContact CD2-CD1 3.73Å
328F96.5Very high94.9Very high0 Ų066 Ų660%034%0.338CS..Hα-helixtrans-103-21.6-175.2-82.3-107000113.8L310 V312 V324 R325 P330 F331 I334 V353 F355 A364 L368 I381 V383L310-F328 HydrophobicContact CD1-CD1 4.44Å; L310-F328 HydrophobicContact CD1-CE1 4.02Å; V312-F328 HydrophobicContact CB-CZ 4.27Å; V312-F328 HydrophobicContact CG1-CE2 4.01Å; V312-F328 HydrophobicContact CG1-CZ 3.83Å; V312-F328 HydrophobicContact CG2-CE1 3.9Å; V312-F328 HydrophobicContact CG2-CE2 4.02Å; V312-F328 HydrophobicContact CG2-CZ 3.38Å; V324-F328 HydrophobicContact CG1-CD2 4.04Å; V324-F328 HydrophobicContact CG1-CE2 4.19Å; V324-F328 VanDerWaalsContact O-CD2 3.25Å; V324-F328 WeakPolarHBondContact O-CD2 3.34Å; V324-F328 PolarHBondContact O-N 3.32Å; R325-F328 PolarHBondContact O-N 3.09Å; F328-P330 VanDerWaalsContact C-CD 3.44Å; F328-F331 PolarHBondContact O-N 2.97Å; F328-F331 VanDerWaalsContact O-N 3.09Å; F328-I334 HydrophobicContact CB-CD1 3.64Å; F328-I334 HydrophobicContact CB-CG1 4.48Å; F328-V353 HydrophobicContact CB-CG1 4.24Å; F328-V353 HydrophobicContact CD1-CB 4.38Å; F328-V353 HydrophobicContact CD1-CG1 4.04Å; F328-V353 HydrophobicContact CD1-CG2 4.42Å; F328-V353 HydrophobicContact CG-CG1 4.24Å; F328-V353 HydrophobicContact CG-CG2 4.4Å; F328-F355 HydrophobicContact CB-CZ 4.02Å; F328-F355 AromaticContact CD1-CE2 3.9Å; F328-F355 HydrophobicContact CD1-CE2 3.9Å; F328-F355 AromaticContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CG-CZ 4.47Å; F328-A364 HydrophobicContact CD1-CB 4.11Å; F328-A364 HydrophobicContact CE1-CB 4.3Å; F328-L368 HydrophobicContact CD1-CD1 3.87Å; F328-L368 HydrophobicContact CD2-CD1 3.81Å; F328-L368 HydrophobicContact CE1-CD1 3.68Å; F328-L368 HydrophobicContact CE2-CD1 3.62Å; F328-L368 HydrophobicContact CG-CD1 3.94Å; F328-L368 HydrophobicContact CZ-CD1 3.55Å; F328-I381 HydrophobicContact CE2-CD1 4.26Å; F328-V383 HydrophobicContact CE1-CG1 3.73Å; F328-V383 HydrophobicContact CE1-CG2 4.32Å; F328-V383 HydrophobicContact CZ-CG1 3.94Å; F328-V383 HydrophobicContact CZ-CG2 3.71Å
329E96.4Very high95.1Very high109 Ų10958.6 Ų58.651%0.50930%0.303SS..G310 helixtrans-55.1-37.5178.6177.4170-132.100114.7R325 F331 G332R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 PolarHBondContact O-N 3.27Å; E329-F331 PolarHBondContact O-N 3.15Å; E329-G332 PolarHBondContact O-N 2.99Å; E329-G332 VanDerWaalsContact O-N 3.1Å
330P95.9Very high95.3Very high102 Ų10259 Ų5966%0.66231%0.307SS*.G310 helixtrans-61-13.6175.3-26.136.3000115.2L326 F328L326-P330 WeakPolarHBondContact O-CD 3.39Å; F328-P330 VanDerWaalsContact C-CD 3.44Å
331F95.7Very high95.4Very high47 Ų4761.2 Ų61.221%0.20631%0.309CS..G310 helixtrans-100.8-8.1179.7-55.8-75.6000113.7F328 E329 F355 E360 A364 T367 L368F328-F331 PolarHBondContact O-N 2.97Å; F328-F331 VanDerWaalsContact O-N 3.09Å; E329-F331 PolarHBondContact O-N 3.15Å; F331-F355 HydrophobicContact CB-CE1 4.38Å; F331-F355 HydrophobicContact CB-CZ 4.17Å; F331-E360 WeakPolarHBondContact O-CA 3.43Å; F331-E360 VanDerWaalsContact O-CB 3.29Å; F331-E360 WeakPolarHBondContact O-CB 3.43Å; F331-E360 WeakPolarHBondContact O-CG 3.48Å; F331-A364 HydrophobicContact CB-CB 3.79Å; F331-A364 HydrophobicContact CD2-CB 4.27Å; F331-A364 HydrophobicContact CG-CB 3.97Å; F331-T367 HydrophobicContact CE1-CG2 3.64Å; F331-T367 HydrophobicContact CZ-CG2 3.82Å; F331-L368 HydrophobicContact CD2-CD1 4.01Å; F331-L368 HydrophobicContact CD2-CG 4.33Å; F331-L368 HydrophobicContact CE2-CD1 3.66Å; F331-L368 HydrophobicContact CE2-CD2 3.8Å; F331-L368 HydrophobicContact CE2-CG 3.61Å; F331-L368 HydrophobicContact CZ-CD1 4.48Å; F331-L368 HydrophobicContact CZ-CD2 4.04Å; F331-L368 HydrophobicContact CZ-CG 3.96Å
332G95.3Very high95.4Very high17 Ų1760.7 Ų60.718%0.17531%0.308CS..SBendtrans150.1-179.7179.400000115.7E329 I334 F355 E360E329-G332 PolarHBondContact O-N 2.99Å; E329-G332 VanDerWaalsContact O-N 3.1Å; G332-I334 PolarHBondContact O-N 3.4Å; G332-F355 WeakPolarHBondContact O-CE1 3.14Å; G332-E360 WeakPolarHBondContact CA-OE1 3.18Å
333T96.4Very high95.3Very high90 Ų9062.2 Ų62.255%0.55232%0.316SS*.  trans-76.7121.3-178.4-53.20000111.1F355 S356 E360T333-F355 CarbonylContact O-C 3.59Å; T333-F355 WeakPolarHBondContact O-CA 3.4Å; T333-F355 WeakPolarHBondContact O-CD1 3.42Å; T333-S356 PolarHBondContact O-N 3.25Å; T333-S356 PolarHBondContact O-OG 2.82Å; T333-E360 PolarHBondContact N-OE1 3.06Å
334I96Very high95.2Very high15 Ų1565.5 Ų65.58%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-90.9116.9179.1-60.4167.1000109.9R325 F328 G332 C337 V353 K354 F355R325-I334 HydrophobicContact CB-CD1 4.44Å; R325-I334 HydrophobicContact CG-CD1 3.82Å; R325-I334 WeakPolarHBondContact O-CD1 3.42Å; F328-I334 HydrophobicContact CB-CD1 3.64Å; F328-I334 HydrophobicContact CB-CG1 4.48Å; G332-I334 PolarHBondContact O-N 3.4Å; I334-C337 HydrophobicContact CG2-CB 4.37Å; I334-V353 HydrophobicContact CD1-CG1 4.28Å; I334-V353 HydrophobicContact CG1-CG1 4.15Å; I334-V353 HydrophobicContact CG2-CG1 4.04Å; I334-K354 CarbonylContact C-O 3.45Å; I334-K354 WeakPolarHBondContact CA-O 3.34Å; I334-F355 HydrophobicContact CG1-CD1 4.27Å; I334-F355 HydrophobicContact CG1-CE1 3.93Å; I334-F355 HydrophobicContact CG1-CZ 4.43Å
335E94.8Very high95Very high96 Ų9667.2 Ų67.245%0.44935%0.351SS..EExtended strand (participates in β ladder)trans-77.8-37.5173-69.2-173.1-175.300112.4R308 K354 S356R308-E335 IonicContact NH1-OE1 3.92Å; R308-E335 PolarHBondContact NH1-OE1 3.34Å; E335-K354 HydrophobicContact CB-CD 4.25Å; E335-K354 PolarHBondContact N-O 2.76Å; E335-K354 WeakPolarHBondContact OE2-CD 3.14Å; E335-K354 WeakPolarHBondContact OE2-CE 3.44Å; E335-K354 IonicContact OE2-NZ 3.81Å; E335-K354 PolarHBondContact OE2-NZ 3.17Å; E335-S356 WeakPolarHBondContact OE1-CA 3.22Å
336E94.2Very high94.8Very high74 Ų7467.3 Ų67.335%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-149.5130.4-171.3-169.5-166.4171.500109.7K309 V353 K354K309-E336 IonicContact NZ-OE1 2.76Å; K309-E336 PolarHBondContact NZ-OE1 2.95Å; K309-E336 IonicContact NZ-OE2 2.69Å; K309-E336 PolarHBondContact NZ-OE2 3.47Å; E336-V353 CarbonylContact O-C 3.53Å; E336-V353 WeakPolarHBondContact O-CA 3.24Å; E336-K354 HydrophobicContact CB-CB 3.8Å; E336-K354 HydrophobicContact CB-CD 4.31Å; E336-K354 PolarHBondContact N-O 2.95Å; E336-K354 PolarHBondContact O-N 2.9Å
337C95.3Very high94.7Very high27 Ų2763 Ų6318%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-126.1139.9168-174.60000107.9E321 I334 F352E321-C337 PolarHBondContact O-SG 3.39Å; E321-C337 VanDerWaalsContact O-SG 3.34Å; I334-C337 HydrophobicContact CG2-CB 4.37Å; C337-F352 CarbonylContact C-O 3.44Å; C337-F352 WeakPolarHBondContact CA-O 3.42Å
338T95.3Very high94.7Very high54 Ų5466.9 Ų66.933%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-152.5120.1176.8-49.60000111E321 A351 F352E321-T338 WeakPolarHBondContact OE1-CA 3.32Å; T338-A351 CarbonylContact O-C 3.56Å; T338-A351 WeakPolarHBondContact O-CA 3.47Å; T338-A351 WeakPolarHBondContact O-CB 3.29Å; T338-F352 PolarHBondContact N-O 3.22Å; T338-F352 PolarHBondContact O-N 3.45Å
339I95.6Very high94.6Very high7 Ų767.4 Ų67.44%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-76.3131.1171.8-65.7-57.2000109.4L315 E321 V324 R341 S347 A351L315-I339 HydrophobicContact CD1-CD1 4.18Å; E321-I339 HydrophobicContact CG-CB 4.16Å; E321-I339 HydrophobicContact CG-CG1 3.61Å; E321-I339 PolarHBondContact OE1-N 2.94Å; V324-I339 HydrophobicContact CG2-CD1 3.84Å; I339-R341 HydrophobicContact CG2-CG 4.13Å; I339-R341 PolarHBondContact O-N 3.01Å; I339-S347 WeakPolarHBondContact CG2-OG 3.5Å; I339-A351 HydrophobicContact CD1-CB 3.72Å
340L94.4Very high94.5Very high47 Ų4763 Ų6325%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-76.2111.1170.4-95.460.7000109.2K348 C350 F352L340-K348 VanDerWaalsContact O-CB 3.26Å; L340-K348 WeakPolarHBondContact O-CB 3.27Å; L340-K348 VanDerWaalsContact O-CG 3.32Å; L340-K348 WeakPolarHBondContact O-CG 3.34Å; L340-K348 PolarHBondContact O-N 2.95Å; L340-C350 PolarHBondContact N-O 2.97Å; L340-F352 HydrophobicContact CD1-CD2 3.48Å; L340-F352 VanDerWaalsContact CD1-CD2 3.48Å; L340-F352 HydrophobicContact CD1-CE2 3.65Å; L340-F352 HydrophobicContact CD1-CG 4.5Å; L340-F352 HydrophobicContact CD2-CE2 4.06Å; L340-F352 HydrophobicContact CG-CE2 4.48Å
341R95.3Very high94.5Very high127 Ų12758.2 Ų58.248%0.47931%0.308SS..EExtended strand (participates in β ladder)trans-99.2154174.9-63.7174.5-177.1-910.9110.8I339 G345 N346I339-R341 HydrophobicContact CG2-CG 4.13Å; I339-R341 PolarHBondContact O-N 3.01Å; R341-G345 WeakPolarHBondContact CD-O 3.39Å; R341-G345 WeakPolarHBondContact CG-O 3.23Å; R341-G345 PolarHBondContact NH1-O 3.33Å; R341-G345 VanDerWaalsContact NH1-O 3.08Å; R341-N346 CarbonylContact C-O 3.54Å; R341-N346 VanDerWaalsContact CA-O 3.27Å; R341-N346 WeakPolarHBondContact CA-O 3.41Å
342D94.2Very high94.6Very high67 Ų6758.2 Ų58.236%0.35831%0.308SS..  trans-92.9176.6174.7-142.421.2000111.6N344 G345 N346 K348D342-N344 PolarHBondContact O-N 3.17Å; D342-G345 PolarHBondContact O-N 2.76Å; D342-N346 PolarHBondContact N-O 3.34Å; D342-K348 HydrophobicContact CB-CD 3.96Å; D342-K348 HydrophobicContact CB-CG 3.86Å; D342-K348 IonicContact OD1-NZ 2.63Å; D342-K348 PolarHBondContact OD1-NZ 3.26Å
343Q93.8Very high94.6Very high139 Ų13957.4 Ų57.465%0.6530%0.3SS*.THydrogen-bonded Turntrans-48.5-29.2177.974.8-57.481.500115.3
344N92.2Very high94.6Very high124 Ų12454.8 Ų54.866%0.66328%0.281SS*.THydrogen-bonded Turntrans-89.98177.9-66.6121.8000113.8D342 N346D342-N344 PolarHBondContact O-N 3.17Å; N344-N346 PolarHBondContact O-N 2.96Å; N344-N346 VanDerWaalsContact O-N 3.16Å
345G90.9Very high94.6Very high37 Ų3754.1 Ų54.138%0.38128%0.277SS..SBendtrans78.2-13.5-176.900000115.3R341 D342R341-G345 WeakPolarHBondContact CD-O 3.39Å; R341-G345 WeakPolarHBondContact CG-O 3.23Å; R341-G345 PolarHBondContact NH1-O 3.33Å; R341-G345 VanDerWaalsContact NH1-O 3.08Å; D342-G345 PolarHBondContact O-N 2.76Å
346N92.6Very high94.6Very high104 Ų10451.4 Ų51.456%0.55627%0.269SS*.  trans-59.5137.7176.1-71.2-44.4000112.4R341 D342 N344R341-N346 CarbonylContact C-O 3.54Å; R341-N346 VanDerWaalsContact CA-O 3.27Å; R341-N346 WeakPolarHBondContact CA-O 3.41Å; D342-N346 PolarHBondContact N-O 3.34Å; N344-N346 PolarHBondContact O-N 2.96Å; N344-N346 VanDerWaalsContact O-N 3.16Å
347S94Very high94.6Very high9 Ų950.9 Ų50.96%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-62.7135.7171.6176.10000111.3K317 I339 G349K317-S347 WeakPolarHBondContact O-CB 3.27Å; I339-S347 WeakPolarHBondContact CG2-OG 3.5Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 3.15Å; S347-G349 PolarHBondContact OG-N 3.47Å
348K94Very high94.5Very high113 Ų11352.7 Ų52.749%0.49128%0.277SS..EExtended strand (participates in β ladder)trans-85.14.6177.5-59.3-176.373.3141.40113L340 D342 C350L340-K348 VanDerWaalsContact O-CB 3.26Å; L340-K348 WeakPolarHBondContact O-CB 3.27Å; L340-K348 VanDerWaalsContact O-CG 3.32Å; L340-K348 WeakPolarHBondContact O-CG 3.34Å; L340-K348 PolarHBondContact O-N 2.95Å; D342-K348 HydrophobicContact CB-CD 3.96Å; D342-K348 HydrophobicContact CB-CG 3.86Å; D342-K348 IonicContact OD1-NZ 2.63Å; D342-K348 PolarHBondContact OD1-NZ 3.26Å; K348-C350 VanDerWaalsContact C-N 3.29Å
349G93.9Very high94.5Very high10 Ų1057 Ų5710%0.10329%0.293CS..EExtended strand (participates in β ladder)trans71.224.7-175.200000113.3G313 M314 L315 S347G313-G349 CarbonylContact C-O 3.54Å; M314-G349 PolarHBondContact N-O 3.17Å; L315-G349 PolarHBondContact N-O 3Å; L315-G349 WeakPolarHBondContact O-CA 3.21Å; S347-G349 VanDerWaalsContact C-N 3.26Å; S347-G349 PolarHBondContact O-N 3.15Å; S347-G349 PolarHBondContact OG-N 3.47Å
350C94.9Very high94.5Very high18 Ų1858.3 Ų58.312%0.12230%0.299CS..EExtended strand (participates in β ladder)trans-147158.2175.557.90000112.3F311 V312 L340 K348F311-C350 HydrophobicContact CE2-CB 3.78Å; F311-C350 HydrophobicContact CZ-CB 3.63Å; V312-C350 CarbonylContact O-C 3.53Å; V312-C350 WeakPolarHBondContact O-CA 3.41Å; V312-C350 WeakPolarHBondContact O-CB 3.36Å; L340-C350 PolarHBondContact N-O 2.97Å; K348-C350 VanDerWaalsContact C-N 3.29Å
351A96.6Very high94.6Very high0 Ų056 Ų560%029%0.287CS..EExtended strand (participates in β ladder)trans-144.6165-176.600000110.7V312 L315 V324 T338 I339V312-A351 HydrophobicContact CB-CB 4.27Å; V312-A351 PolarHBondContact N-O 2.77Å; V312-A351 PolarHBondContact O-N 3.1Å; L315-A351 HydrophobicContact CD1-CB 3.73Å; V324-A351 HydrophobicContact CG1-CB 4.45Å; T338-A351 CarbonylContact O-C 3.56Å; T338-A351 WeakPolarHBondContact O-CA 3.47Å; T338-A351 WeakPolarHBondContact O-CB 3.29Å; I339-A351 HydrophobicContact CD1-CB 3.72Å
352F96.4Very high94.7Very high47 Ų4753.9 Ų53.921%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-110.4137.5156.8-67.3-69.7000110.1K309 L310 F311 C337 T338 L340 A386K309-F352 HydrophobicContact CG-CB 4.38Å; K309-F352 HydrophobicContact CG-CD1 4.42Å; L310-F352 VanDerWaalsContact O-CA 3.27Å; L310-F352 WeakPolarHBondContact O-CA 3.36Å; L310-F352 WeakPolarHBondContact O-CD1 3.24Å; F311-F352 HydrophobicContact CB-CD1 4.26Å; F311-F352 HydrophobicContact CB-CE1 4Å; F311-F352 HydrophobicContact CD2-CD1 4.43Å; F311-F352 AromaticContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CE1 3.85Å; F311-F352 HydrophobicContact CD2-CZ 4.23Å; F311-F352 HydrophobicContact CG-CE1 4.44Å; C337-F352 CarbonylContact C-O 3.44Å; C337-F352 WeakPolarHBondContact CA-O 3.42Å; T338-F352 PolarHBondContact N-O 3.22Å; T338-F352 PolarHBondContact O-N 3.45Å; L340-F352 HydrophobicContact CD1-CD2 3.48Å; L340-F352 VanDerWaalsContact CD1-CD2 3.48Å; L340-F352 HydrophobicContact CD1-CE2 3.65Å; L340-F352 HydrophobicContact CD1-CG 4.5Å; L340-F352 HydrophobicContact CD2-CE2 4.06Å; L340-F352 HydrophobicContact CG-CE2 4.48Å; F352-A386 HydrophobicContact CD1-CB 3.82Å; F352-A386 HydrophobicContact CE1-CB 3.66Å
353V96.3Very high94.8Very high0 Ų053.3 Ų53.30%028%0.283CS..EExtended strand (participates in β ladder)trans-124.9134.1173.5179.50000107.7L310 V312 V324 F328 I334 E336 F355L310-V353 PolarHBondContact N-O 3.03Å; L310-V353 PolarHBondContact O-N 2.96Å; V312-V353 HydrophobicContact CG2-CB 4.35Å; V312-V353 HydrophobicContact CG2-CG2 3.79Å; V324-V353 HydrophobicContact CG1-CG2 3.62Å; F328-V353 HydrophobicContact CB-CG1 4.24Å; F328-V353 HydrophobicContact CD1-CB 4.38Å; F328-V353 HydrophobicContact CD1-CG1 4.04Å; F328-V353 HydrophobicContact CD1-CG2 4.42Å; F328-V353 HydrophobicContact CG-CG1 4.24Å; F328-V353 HydrophobicContact CG-CG2 4.4Å; I334-V353 HydrophobicContact CD1-CG1 4.28Å; I334-V353 HydrophobicContact CG1-CG1 4.15Å; I334-V353 HydrophobicContact CG2-CG1 4.04Å; E336-V353 CarbonylContact O-C 3.53Å; E336-V353 WeakPolarHBondContact O-CA 3.24Å; V353-F355 HydrophobicContact CG1-CE2 4.18Å
354K95.5Very high94.9Very high36 Ų3646.7 Ų46.716%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-121.9123.8179.1-168.4-164.9178-160.10109.7R308 K309 I334 E335 E336R308-K354 HydrophobicContact CB-CG 4.45Å; R308-K354 WeakPolarHBondContact O-CA 3.46Å; K309-K354 HydrophobicContact CB-CG 4.45Å; K309-K354 HydrophobicContact CG-CB 4.44Å; I334-K354 CarbonylContact C-O 3.45Å; I334-K354 WeakPolarHBondContact CA-O 3.34Å; E335-K354 HydrophobicContact CB-CD 4.25Å; E335-K354 PolarHBondContact N-O 2.76Å; E335-K354 WeakPolarHBondContact OE2-CD 3.14Å; E335-K354 WeakPolarHBondContact OE2-CE 3.44Å; E335-K354 IonicContact OE2-NZ 3.81Å; E335-K354 PolarHBondContact OE2-NZ 3.17Å; E336-K354 HydrophobicContact CB-CB 3.8Å; E336-K354 HydrophobicContact CB-CD 4.31Å; E336-K354 PolarHBondContact N-O 2.95Å; E336-K354 PolarHBondContact O-N 2.9Å
355F96.8Very high95.1Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-90.2160175.1-75.1-82.7000112.2R308 L310 F328 F331 G332 T333 I334 V353 T357 E360 A361 A364R308-F355 WeakPolarHBondContact CD-O 3.22Å; R308-F355 PolarHBondContact O-N 2.88Å; R308-F355 VanDerWaalsContact O-N 3.13Å; L310-F355 HydrophobicContact CD1-CD2 4.07Å; L310-F355 HydrophobicContact CD1-CE2 3.71Å; F328-F355 HydrophobicContact CB-CZ 4.02Å; F328-F355 AromaticContact CD1-CE2 3.9Å; F328-F355 HydrophobicContact CD1-CE2 3.9Å; F328-F355 AromaticContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CD1-CZ 3.89Å; F328-F355 HydrophobicContact CG-CZ 4.47Å; F331-F355 HydrophobicContact CB-CE1 4.38Å; F331-F355 HydrophobicContact CB-CZ 4.17Å; G332-F355 WeakPolarHBondContact O-CE1 3.14Å; T333-F355 CarbonylContact O-C 3.59Å; T333-F355 WeakPolarHBondContact O-CA 3.4Å; T333-F355 WeakPolarHBondContact O-CD1 3.42Å; I334-F355 HydrophobicContact CG1-CD1 4.27Å; I334-F355 HydrophobicContact CG1-CE1 3.93Å; I334-F355 HydrophobicContact CG1-CZ 4.43Å; V353-F355 HydrophobicContact CG1-CE2 4.18Å; F355-T357 VanDerWaalsContact C-N 3.35Å; F355-T357 WeakPolarHBondContact CB-O 3.27Å; F355-E360 HydrophobicContact CB-CB 3.95Å; F355-E360 HydrophobicContact CD1-CB 3.64Å; F355-E360 HydrophobicContact CE1-CB 4.28Å; F355-E360 HydrophobicContact CG-CB 3.84Å; F355-A361 HydrophobicContact CB-CB 4.25Å; F355-A361 HydrophobicContact CD2-CB 3.83Å; F355-A361 HydrophobicContact CG-CB 4.39Å; F355-A364 HydrophobicContact CE2-CB 3.6Å; F355-A364 HydrophobicContact CZ-CB 3.73Å
356S95Very high95.4Very high40 Ų4047.4 Ų47.428%0.2825%0.247SC..SBendtrans-64-38.2172.3-68.10000112.4R308 T333 E335R308-S356 WeakPolarHBondContact CD-O 3.07Å; R308-S356 PolarHBondContact NH1-O 3.17Å; T333-S356 PolarHBondContact O-N 3.25Å; T333-S356 PolarHBondContact O-OG 2.82Å; E335-S356 WeakPolarHBondContact OE1-CA 3.22Å
357T93.9Very high95.5Very high62 Ų6245.9 Ų45.938%0.3824%0.241SC..SBendtrans-122.7161.4177.976.70000112.5F355 E360F355-T357 VanDerWaalsContact C-N 3.35Å; F355-T357 WeakPolarHBondContact CB-O 3.27Å; T357-E360 WeakPolarHBondContact CA-OE2 3.22Å; T357-E360 VanDerWaalsContact CB-OE2 3.24Å; T357-E360 WeakPolarHBondContact CB-OE2 3.31Å; T357-E360 WeakPolarHBondContact CG2-OE2 3.07Å; T357-E360 PolarHBondContact N-OE2 2.99Å; T357-E360 VanDerWaalsContact OG1-CD 3.24Å; T357-E360 VanDerWaalsContact OG1-CG 3.24Å; T357-E360 WeakPolarHBondContact OG1-CG 3.27Å; T357-E360 PolarHBondContact OG1-N 3.47Å; T357-E360 PolarHBondContact OG1-OE2 3.46Å
358Q93.3Very high95.6Very high66 Ų6645.7 Ų45.731%0.30824%0.24SC..Hα-helixtrans-72.9-28.1176.3-177.8178.219.100112.7E307 R308 A361 Q362E307-Q358 HydrophobicContact CB-CG 4.42Å; E307-Q358 PolarHBondContact OE2-NE2 3.41Å; R308-Q358 HydrophobicContact CG-CB 4.26Å; Q358-A361 PolarHBondContact O-N 3.35Å; Q358-Q362 WeakPolarHBondContact O-CG 3.46Å; Q358-Q362 PolarHBondContact O-N 3.37Å
359Q95.1Very high95.7Very high145 Ų14545.1 Ų45.168%0.67824%0.238SC*.Hα-helixtrans-72.4-39.1-177.5-69.4175.1-20.600111.7Q362 S363Q359-Q362 PolarHBondContact O-N 3.23Å; Q359-S363 WeakPolarHBondContact O-CB 3.25Å; Q359-S363 PolarHBondContact O-N 3.04Å; Q359-S363 PolarHBondContact O-OG 2.71Å
360E96.3Very high95.8Very high33 Ų3346.4 Ų46.415%0.15425%0.252CS..Hα-helixtrans-58.8-47.8168.9-65.5162.6124.500110.6F331 G332 T333 F355 T357 Q362 S363 A364F331-E360 WeakPolarHBondContact O-CA 3.43Å; F331-E360 VanDerWaalsContact O-CB 3.29Å; F331-E360 WeakPolarHBondContact O-CB 3.43Å; F331-E360 WeakPolarHBondContact O-CG 3.48Å; G332-E360 WeakPolarHBondContact CA-OE1 3.18Å; T333-E360 PolarHBondContact N-OE1 3.06Å; F355-E360 HydrophobicContact CB-CB 3.95Å; F355-E360 HydrophobicContact CD1-CB 3.64Å; F355-E360 HydrophobicContact CE1-CB 4.28Å; F355-E360 HydrophobicContact CG-CB 3.84Å; T357-E360 WeakPolarHBondContact CA-OE2 3.22Å; T357-E360 VanDerWaalsContact CB-OE2 3.24Å; T357-E360 WeakPolarHBondContact CB-OE2 3.31Å; T357-E360 WeakPolarHBondContact CG2-OE2 3.07Å; T357-E360 PolarHBondContact N-OE2 2.99Å; T357-E360 VanDerWaalsContact OG1-CD 3.24Å; T357-E360 VanDerWaalsContact OG1-CG 3.24Å; T357-E360 WeakPolarHBondContact OG1-CG 3.27Å; T357-E360 PolarHBondContact OG1-N 3.47Å; T357-E360 PolarHBondContact OG1-OE2 3.46Å; E360-Q362 PolarHBondContact O-N 2.82Å; E360-S363 PolarHBondContact O-N 2.74Å; E360-S363 VanDerWaalsContact O-N 3.17Å; E360-A364 WeakPolarHBondContact O-CB 3.41Å; E360-A364 PolarHBondContact O-N 3.11Å
361A96Very high95.7Very high0 Ų049.2 Ų49.20%027%0.272CS..Hα-helixtrans-60.6-40.617800000113.2L310 F355 Q358 I365 F385L310-A361 HydrophobicContact CD1-CB 4.43Å; L310-A361 HydrophobicContact CD2-CB 4.02Å; L310-A361 HydrophobicContact CG-CB 4.25Å; F355-A361 HydrophobicContact CB-CB 4.25Å; F355-A361 HydrophobicContact CD2-CB 3.83Å; F355-A361 HydrophobicContact CG-CB 4.39Å; Q358-A361 PolarHBondContact O-N 3.35Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.39Å; A361-I365 VanDerWaalsContact O-N 3.11Å; A361-F385 HydrophobicContact CB-CE1 4.45Å
362Q96Very high95.4Very high82 Ų8252.8 Ų52.838%0.38329%0.288SS..Hα-helixtrans-64.4-44.9173.1-76.5173.1-2.300111.9Q358 Q359 E360 A364 I365 L366 F385Q358-Q362 WeakPolarHBondContact O-CG 3.46Å; Q358-Q362 PolarHBondContact O-N 3.37Å; Q359-Q362 PolarHBondContact O-N 3.23Å; E360-Q362 PolarHBondContact O-N 2.82Å; Q362-A364 VanDerWaalsContact C-N 3.34Å; Q362-A364 PolarHBondContact O-N 3.5Å; Q362-I365 PolarHBondContact O-N 2.85Å; Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.41Å; Q362-F385 HydrophobicContact CG-CZ 3.77Å
363S96.6Very high95.2Very high54 Ų5454.6 Ų54.638%0.37830%0.303SS..Hα-helixtrans-63.2-39.8-179.8-56.10000112Q359 E360 L366 T367Q359-S363 WeakPolarHBondContact O-CB 3.25Å; Q359-S363 PolarHBondContact O-N 3.04Å; Q359-S363 PolarHBondContact O-OG 2.71Å; E360-S363 PolarHBondContact O-N 2.74Å; E360-S363 VanDerWaalsContact O-N 3.17Å; S363-L366 PolarHBondContact O-N 2.92Å; S363-T367 PolarHBondContact O-N 2.9Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.34Å
364A96.8Very high94.8Very high0 Ų055.6 Ų55.60%031%0.308CS..Hα-helixtrans-64-43.8173.100000112.4L310 F328 F331 F355 E360 Q362 L368L310-A364 HydrophobicContact CD1-CB 4.02Å; F328-A364 HydrophobicContact CD1-CB 4.11Å; F328-A364 HydrophobicContact CE1-CB 4.3Å; F331-A364 HydrophobicContact CB-CB 3.79Å; F331-A364 HydrophobicContact CD2-CB 4.27Å; F331-A364 HydrophobicContact CG-CB 3.97Å; F355-A364 HydrophobicContact CE2-CB 3.6Å; F355-A364 HydrophobicContact CZ-CB 3.73Å; E360-A364 WeakPolarHBondContact O-CB 3.41Å; E360-A364 PolarHBondContact O-N 3.11Å; Q362-A364 VanDerWaalsContact C-N 3.34Å; Q362-A364 PolarHBondContact O-N 3.5Å; A364-L368 VanDerWaalsContact O-CB 3.27Å; A364-L368 WeakPolarHBondContact O-CB 3.41Å; A364-L368 PolarHBondContact O-N 2.63Å
365I96.6Very high94.5Very high29 Ų2959 Ų5915%0.14933%0.334CS..Hα-helixtrans-58.4-52.7173.9-68.2163000110.3L310 A361 Q362 T367 H369 V383 F385L310-I365 HydrophobicContact CD1-CG1 4.22Å; L310-I365 HydrophobicContact CD2-CD1 3.55Å; L310-I365 HydrophobicContact CD2-CG1 3.7Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.39Å; A361-I365 VanDerWaalsContact O-N 3.11Å; Q362-I365 PolarHBondContact O-N 2.85Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.36Å; I365-H369 HydrophobicContact CG2-CB 4.45Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; I365-V383 HydrophobicContact CG1-CG1 4.01Å; I365-F385 HydrophobicContact CD1-CD1 3.9Å; I365-F385 HydrophobicContact CD1-CD2 3.75Å; I365-F385 HydrophobicContact CD1-CE1 3.67Å; I365-F385 HydrophobicContact CD1-CE2 3.52Å; I365-F385 HydrophobicContact CD1-CG 3.94Å; I365-F385 HydrophobicContact CD1-CZ 3.48Å; I365-F385 VanDerWaalsContact CD1-CZ 3.48Å
366L96.2Very high94.1Very high147 Ų14762.8 Ų62.877%0.7737%0.373SS*.Hα-helixtrans-61.3-32.5-173.4-71169.8000113.1Q362 S363Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.41Å; S363-L366 PolarHBondContact O-N 2.92Å
367T96Very high93.8Very high72 Ų7261.9 Ų61.944%0.44237%0.368SS..Hα-helixtrans-96.6-34.6-175.5-420000113.4F331 S363 I365 S371F331-T367 HydrophobicContact CE1-CG2 3.64Å; F331-T367 HydrophobicContact CZ-CG2 3.82Å; S363-T367 PolarHBondContact O-N 2.9Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.34Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.36Å; T367-S371 VanDerWaalsContact O-CB 3.22Å; T367-S371 WeakPolarHBondContact O-CB 3.08Å; T367-S371 PolarHBondContact O-OG 2.7Å
368L95.8Very high93.6Very high6 Ų664.3 Ų64.33%0.03139%0.388CS..Hα-helixtrans-91.9-28.1-178.3-65.3176.5000113.3L327 F328 F331 A364 G370 S371 I381 V383L327-L368 HydrophobicContact CD1-CD2 3.96Å; L327-L368 HydrophobicContact CG-CD1 4.32Å; L327-L368 HydrophobicContact CG-CD2 4.31Å; F328-L368 HydrophobicContact CD1-CD1 3.87Å; F328-L368 HydrophobicContact CD2-CD1 3.81Å; F328-L368 HydrophobicContact CE1-CD1 3.68Å; F328-L368 HydrophobicContact CE2-CD1 3.62Å; F328-L368 HydrophobicContact CG-CD1 3.94Å; F328-L368 HydrophobicContact CZ-CD1 3.55Å; F331-L368 HydrophobicContact CD2-CD1 4.01Å; F331-L368 HydrophobicContact CD2-CG 4.33Å; F331-L368 HydrophobicContact CE2-CD1 3.66Å; F331-L368 HydrophobicContact CE2-CD2 3.8Å; F331-L368 HydrophobicContact CE2-CG 3.61Å; F331-L368 HydrophobicContact CZ-CD1 4.48Å; F331-L368 HydrophobicContact CZ-CD2 4.04Å; F331-L368 HydrophobicContact CZ-CG 3.96Å; A364-L368 VanDerWaalsContact O-CB 3.27Å; A364-L368 WeakPolarHBondContact O-CB 3.41Å; A364-L368 PolarHBondContact O-N 2.63Å; L368-G370 PolarHBondContact O-N 3.1Å; L368-S371 WeakPolarHBondContact CA-OG 3.48Å; L368-S371 PolarHBondContact O-N 2.71Å; L368-S371 PolarHBondContact O-OG 3.44Å; L368-I381 WeakPolarHBondContact O-CG2 3.33Å; L368-V383 HydrophobicContact CB-CB 4.42Å; L368-V383 HydrophobicContact CB-CG2 3.63Å
369H95.9Very high93.7Very high101 Ų10164 Ų6447%0.46839%0.392SS..THydrogen-bonded Turntrans-63.2113-177.8-173105000111.5I365 S371 V383I365-H369 HydrophobicContact CG2-CB 4.45Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; H369-S371 VanDerWaalsContact C-N 3.27Å; H369-S371 PolarHBondContact O-N 3.09Å; H369-V383 HydrophobicContact CB-CB 4.39Å; H369-V383 PolarHBondContact ND1-O 2.83Å
370G94.9Very high93.7Very high37 Ų3759 Ų5938%0.38137%0.374SS..THydrogen-bonded Turntrans80.2-6.9176.400000115.8L368 S380 I381L368-G370 PolarHBondContact O-N 3.1Å; G370-S380 WeakPolarHBondContact O-CB 3.44Å; G370-I381 PolarHBondContact N-O 2.75Å
371S93.5Very high93.7Very high77 Ų7757.4 Ų57.454%0.53837%0.366SS..THydrogen-bonded Turntrans-77.5-40.5-170.557.60000114.3T367 L368 H369T367-S371 VanDerWaalsContact O-CB 3.22Å; T367-S371 WeakPolarHBondContact O-CB 3.08Å; T367-S371 PolarHBondContact O-OG 2.7Å; L368-S371 WeakPolarHBondContact CA-OG 3.48Å; L368-S371 PolarHBondContact O-N 2.71Å; L368-S371 PolarHBondContact O-OG 3.44Å; H369-S371 VanDerWaalsContact C-N 3.27Å; H369-S371 PolarHBondContact O-N 3.09Å
372Q90.9Very high93.7Very high75 Ų7559.3 Ų59.335%0.3538%0.378SS..  trans-126.9145.6-179.865.8-174.458.400113.6M374 S380 I381Q372-M374 HydrophobicContact CG-SD 4.27Å; Q372-M374 PolarHBondContact NE2-SD 2.68Å; Q372-S380 CarbonylContact O-C 3.56Å; Q372-S380 VanDerWaalsContact O-CA 3.27Å; Q372-S380 WeakPolarHBondContact O-CA 3.43Å; Q372-I381 HydrophobicContact CG-CG2 4Å; Q372-I381 WeakPolarHBondContact O-CG2 3.34Å; Q372-I381 PolarHBondContact O-N 2.96Å
373T92.3Very high93.7Very high85 Ų8555.4 Ų55.452%0.52136%0.36SS..PPolyproline II helixtrans-102.2118.7169-64.40000108.8A377 S380T373-A377 HydrophobicContact CG2-CB 4.36Å; T373-S380 WeakPolarHBondContact OG1-CA 3.34Å; T373-S380 PolarHBondContact OG1-N 3.47Å
374M87.8Confident93.7Very high20 Ų2057 Ų5710%0.09936%0.359CS..PPolyproline II helixtrans-68147.8-179.8-58.1-55.3-78.400111.3L327 Q372 G376 A377L327-M374 HydrophobicContact CD2-CE 4.24Å; L327-M374 HydrophobicContact CD2-SD 4.27Å; Q372-M374 HydrophobicContact CG-SD 4.27Å; Q372-M374 PolarHBondContact NE2-SD 2.68Å; M374-G376 PolarHBondContact O-N 2.61Å; M374-A377 HydrophobicContact CB-CB 4.06Å; M374-A377 VanDerWaalsContact O-CB 3.27Å; M374-A377 WeakPolarHBondContact O-CB 3.46Å; M374-A377 PolarHBondContact O-N 3.19Å
375P88.8Confident93.6Very high108 Ų10861 Ų6170%0.70138%0.377SS*.THydrogen-bonded Turntrans-54.7122.4174.1-26.735.6000112S316 A377S316-P375 WeakPolarHBondContact CB-O 3.35Å; S316-P375 PolarHBondContact OG-O 3.47Å; P375-A377 VanDerWaalsContact C-N 3.33Å
376G87.8Confident93.5Very high80 Ų8060.2 Ų60.283%0.82538%0.375SS*.THydrogen-bonded Turntrans83-3.7-17500000115.7M374M374-G376 PolarHBondContact O-N 2.61Å
377A89.2Confident93Very high21 Ų2156.4 Ų56.417%0.17436%0.356CS..  trans-80.7146.8167.900000111.3M314 T373 M374 P375M314-A377 WeakPolarHBondContact O-CB 3.46Å; T373-A377 HydrophobicContact CG2-CB 4.36Å; M374-A377 HydrophobicContact CB-CB 4.06Å; M374-A377 VanDerWaalsContact O-CB 3.27Å; M374-A377 WeakPolarHBondContact O-CB 3.46Å; M374-A377 PolarHBondContact O-N 3.19Å; P375-A377 VanDerWaalsContact C-N 3.33Å
378S90.1Very high91.9Very high113 Ų11354.7 Ų54.779%0.7935%0.346SS*.SBendtrans-89.3-0.9-179.360.70000114.1
379S94.4Very high90.7Very high58 Ų5858.7 Ų58.741%0.40637%0.365SS..SBendtrans-161165.3-176.6-72.40000109.9
380S95.4Very high89.1Confident41 Ų4159.6 Ų59.629%0.28737%0.368SS..  trans-57.2149.7171.651.80000112.4M314 G370 Q372 T373 V382M314-S380 WeakPolarHBondContact CB-O 3.14Å; G370-S380 WeakPolarHBondContact O-CB 3.44Å; Q372-S380 CarbonylContact O-C 3.56Å; Q372-S380 VanDerWaalsContact O-CA 3.27Å; Q372-S380 WeakPolarHBondContact O-CA 3.43Å; T373-S380 WeakPolarHBondContact OG1-CA 3.34Å; T373-S380 PolarHBondContact OG1-N 3.47Å; S380-V382 PolarHBondContact O-N 2.88Å
381I96.1Very high88Confident0 Ų062.3 Ų62.30%037%0.371CS..  trans-57.9135176.6-167177.9000110.6V312 L315 L327 F328 L368 G370 Q372 V383V312-I381 HydrophobicContact CG1-CD1 3.74Å; V312-I381 HydrophobicContact CG1-CG1 3.89Å; L315-I381 HydrophobicContact CD2-CD1 3.72Å; L315-I381 HydrophobicContact CD2-CG1 4.16Å; L327-I381 HydrophobicContact CD2-CD1 3.73Å; F328-I381 HydrophobicContact CE2-CD1 4.26Å; L368-I381 WeakPolarHBondContact O-CG2 3.33Å; G370-I381 PolarHBondContact N-O 2.75Å; Q372-I381 HydrophobicContact CG-CG2 4Å; Q372-I381 WeakPolarHBondContact O-CG2 3.34Å; Q372-I381 PolarHBondContact O-N 2.96Å; I381-V383 HydrophobicContact CD1-CG2 4.24Å; I381-V383 HydrophobicContact CG1-CG2 4.11Å; I381-V383 HydrophobicContact CG2-CG2 4.47Å
382V96.6Very high86.9Confident40 Ų4064 Ų6424%0.24237%0.365CS..EExtended strand (participates in β ladder)trans-11099.3-175.8177.50000108.4V312 G313 M314 S380V312-V382 CarbonylContact C-O 3.52Å; V312-V382 WeakPolarHBondContact CA-O 3.22Å; G313-V382 PolarHBondContact N-O 3.02Å; G313-V382 PolarHBondContact O-N 3.44Å; M314-V382 HydrophobicContact CB-CG2 4.49Å; M314-V382 HydrophobicContact CG-CG2 3.74Å; S380-V382 PolarHBondContact O-N 2.88Å
383V96.5Very high86.1Confident0 Ų065.6 Ų65.60%037%0.372CS..EExtended strand (participates in β ladder)trans-105.5127.3179.2-170.60000109.4L310 V312 F328 I365 L368 H369 I381L310-V383 HydrophobicContact CD1-CG1 3.82Å; V312-V383 HydrophobicContact CG1-CG2 4.42Å; F328-V383 HydrophobicContact CE1-CG1 3.73Å; F328-V383 HydrophobicContact CE1-CG2 4.32Å; F328-V383 HydrophobicContact CZ-CG1 3.94Å; F328-V383 HydrophobicContact CZ-CG2 3.71Å; I365-V383 HydrophobicContact CG1-CG1 4.01Å; L368-V383 HydrophobicContact CB-CB 4.42Å; L368-V383 HydrophobicContact CB-CG2 3.63Å; H369-V383 HydrophobicContact CB-CB 4.39Å; H369-V383 PolarHBondContact ND1-O 2.83Å; I381-V383 HydrophobicContact CD1-CG2 4.24Å; I381-V383 HydrophobicContact CG1-CG2 4.11Å; I381-V383 HydrophobicContact CG2-CG2 4.47Å
384K95.6Very high85.2Confident86 Ų8665.9 Ų65.937%0.37437%0.374SS..EExtended strand (participates in β ladder)trans-158165.7-179.851.2168.6-177.8153.20110L310 F311L310-K384 CarbonylContact C-O 3.55Å; L310-K384 VanDerWaalsContact CA-O 3.22Å; L310-K384 WeakPolarHBondContact CA-O 3.21Å; F311-K384 HydrophobicContact CB-CG 4.33Å; F311-K384 HydrophobicContact CD1-CD 4.48Å; F311-K384 VanDerWaalsContact CD1-CE 3.47Å; F311-K384 HydrophobicContact CD1-CG 4.17Å; F311-K384 PolarHBondContact N-O 2.86Å; F311-K384 PolarHBondContact O-N 2.83Å
385F95.5Very high84.6Confident84 Ų8469.5 Ų69.537%0.36839%0.386SS..EExtended strand (participates in β ladder)trans-56.5145.1169-63.4-66.9000111.3E307 L310 A361 Q362 I365E307-F385 WeakPolarHBondContact O-CE1 3.48Å; L310-F385 HydrophobicContact CD2-CD1 3.82Å; L310-F385 HydrophobicContact CD2-CE1 4.12Å; A361-F385 HydrophobicContact CB-CE1 4.45Å; Q362-F385 HydrophobicContact CG-CZ 3.77Å; I365-F385 HydrophobicContact CD1-CD1 3.9Å; I365-F385 HydrophobicContact CD1-CD2 3.75Å; I365-F385 HydrophobicContact CD1-CE1 3.67Å; I365-F385 HydrophobicContact CD1-CE2 3.52Å; I365-F385 HydrophobicContact CD1-CG 3.94Å; I365-F385 HydrophobicContact CD1-CZ 3.48Å; I365-F385 VanDerWaalsContact CD1-CZ 3.48Å
386A93.7Very high84Confident14 Ų1468.5 Ų68.512%0.11637%0.371CS..PPolyproline II helixtrans-77.3133.2176.600000110.6K309 F311 F352 S388K309-A386 HydrophobicContact CB-CB 4.12Å; K309-A386 HydrophobicContact CG-CB 4.08Å; K309-A386 VanDerWaalsContact O-CB 3.31Å; K309-A386 WeakPolarHBondContact O-CB 3.34Å; K309-A386 PolarHBondContact O-N 2.91Å; F311-A386 HydrophobicContact CB-CB 4.46Å; F352-A386 HydrophobicContact CD1-CB 3.82Å; F352-A386 HydrophobicContact CE1-CB 3.66Å; A386-S388 PolarHBondContact O-N 2.77Å
387D86.4Confident83.3Confident67 Ų6768.5 Ų68.536%0.35835%0.351SS..PPolyproline II helixtrans-49.5121.4169.3-5924.6000110.9E389 R395D387-E389 PolarHBondContact O-N 2.94Å; D387-R395 VanDerWaalsContact CG-NH2 3.26Å; D387-R395 IonicContact OD2-CZ 3.34Å; D387-R395 IonicContact OD2-NE 3.47Å; D387-R395 PolarHBondContact OD2-NE 3.35Å; D387-R395 IonicContact OD2-NH2 3.45Å; D387-R395 PolarHBondContact OD2-NH2 2.8Å
388S74Confident82.5Confident35 Ų3573.2 Ų73.225%0.24537%0.37CS..PPolyproline II helixtrans-52.6135.2171.8-550000110.5E306 A386 K390 E391 R392E306-S388 WeakPolarHBondContact OE2-CB 3.46Å; E306-S388 PolarHBondContact OE2-OG 2.82Å; A386-S388 PolarHBondContact O-N 2.77Å; S388-K390 PolarHBondContact O-N 3.18Å; S388-E391 WeakPolarHBondContact O-CA 3.48Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 3.06Å; S388-R392 PolarHBondContact O-N 2.88Å
389E70.6Confident81.5Confident91 Ų9175 Ų7543%0.42537%0.365SS..Hα-helixtrans-61.2-25.3-178.1-174.165.1-12800111.9D387 R392 H393 K396D387-E389 PolarHBondContact O-N 2.94Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-NH1 2.74Å; E389-R392 WeakPolarHBondContact OE2-CD 3.5Å; E389-R392 IonicContact OE2-CZ 2.99Å; E389-R392 IonicContact OE2-NE 3.68Å; E389-R392 IonicContact OE2-NH1 2.7Å; E389-R392 PolarHBondContact OE2-NH1 3.22Å; E389-H393 VanDerWaalsContact O-CB 3.27Å; E389-H393 WeakPolarHBondContact O-CB 3.42Å; E389-H393 PolarHBondContact O-N 3.02Å; E389-K396 IonicContact OE1-NZ 2.82Å; E389-K396 PolarHBondContact OE1-NZ 3.28Å
390K62.1Low80.1Confident120 Ų12078.9 Ų78.952%0.52238%0.381SS..Hα-helixtrans-57.6-45.8168.5-58.9173.4-169.7116.50112.2E306 S388 H393 T394E306-K390 IonicContact OE1-NZ 3.47Å; E306-K390 PolarHBondContact OE1-NZ 3.1Å; E306-K390 IonicContact OE2-NZ 2.68Å; S388-K390 PolarHBondContact O-N 3.18Å; K390-H393 PolarHBondContact O-N 3.19Å; K390-T394 WeakPolarHBondContact O-CB 3.45Å; K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.49Å
391E70.7Confident78.5Confident94 Ų9481.7 Ų81.744%0.43939%0.392SS..Hα-helixtrans-72.3-40.7178.5-153.7-163.1177.500110.5S388 H393 T394 R395S388-E391 WeakPolarHBondContact O-CA 3.48Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 3.06Å; E391-H393 VanDerWaalsContact C-N 3.31Å; E391-H393 PolarHBondContact O-N 2.78Å; E391-T394 CarbonylContact O-C 3.52Å; E391-T394 WeakPolarHBondContact O-CB 3.28Å; E391-T394 PolarHBondContact O-N 3.13Å; E391-T394 VanDerWaalsContact O-N 3.11Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 PolarHBondContact O-N 2.79Å; E391-R395 IonicContact OE1-CZ 3.5Å; E391-R395 IonicContact OE1-NH1 3.44Å; E391-R395 PolarHBondContact OE1-NH1 3.28Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.15Å; E391-R395 IonicContact OE2-CZ 3.68Å; E391-R395 IonicContact OE2-NH1 2.7Å; E391-R395 PolarHBondContact OE2-NH1 3.35Å; E391-R395 IonicContact OE2-NH2 3.47Å; E391-R395 PolarHBondContact OE2-NH2 3.21Å
392R71Confident76.9Confident113 Ų11384 Ų8443%0.42642%0.416SS..Hα-helixtrans-59.8-39173.2-168.2177.6174.5-142.611.5112.2S388 E389 K396S388-R392 PolarHBondContact O-N 2.88Å; E389-R392 PolarHBondContact O-N 2.79Å; E389-R392 IonicContact OE1-NH1 2.74Å; E389-R392 WeakPolarHBondContact OE2-CD 3.5Å; E389-R392 IonicContact OE2-CZ 2.99Å; E389-R392 IonicContact OE2-NE 3.68Å; E389-R392 IonicContact OE2-NH1 2.7Å; E389-R392 PolarHBondContact OE2-NH1 3.22Å; R392-K396 VanDerWaalsContact O-CG 3.28Å; R392-K396 WeakPolarHBondContact O-CG 3.35Å; R392-K396 PolarHBondContact O-N 3Å; R392-K396 VanDerWaalsContact O-N 3.1Å
393H73.3Confident75.1Confident107 Ų10787.5 Ų87.550%0.49544%0.439SS..Hα-helixtrans-68.7-39.3173-162.6-74.6000112E389 K390 E391 K396 I397E389-H393 VanDerWaalsContact O-CB 3.27Å; E389-H393 WeakPolarHBondContact O-CB 3.42Å; E389-H393 PolarHBondContact O-N 3.02Å; K390-H393 PolarHBondContact O-N 3.19Å; E391-H393 VanDerWaalsContact C-N 3.31Å; E391-H393 PolarHBondContact O-N 2.78Å; H393-K396 WeakPolarHBondContact O-CB 3.5Å; H393-K396 PolarHBondContact O-N 3.48Å; H393-I397 PolarHBondContact O-N 2.73Å
394T72.9Confident73Confident91 Ų9194.2 Ų94.256%0.55847%0.473SS*.Hα-helixtrans-64.8-41175.4-55.10000111.3K390 E391 I397 Q398K390-T394 WeakPolarHBondContact O-CB 3.45Å; K390-T394 PolarHBondContact O-N 2.75Å; K390-T394 PolarHBondContact O-OG1 3.49Å; E391-T394 CarbonylContact O-C 3.52Å; E391-T394 WeakPolarHBondContact O-CB 3.28Å; E391-T394 PolarHBondContact O-N 3.13Å; E391-T394 VanDerWaalsContact O-N 3.11Å; T394-I397 PolarHBondContact O-N 3.47Å; T394-Q398 WeakPolarHBondContact O-CB 3.47Å; T394-Q398 PolarHBondContact O-N 2.81Å
395R75.1Confident71Confident96 Ų9693.9 Ų93.936%0.36249%0.494SS..Hα-helixtrans-60.2-43.6171.4-71.6-164.4-113.7-71.23.7112.3D387 E391 Q398 Q399D387-R395 VanDerWaalsContact CG-NH2 3.26Å; D387-R395 IonicContact OD2-CZ 3.34Å; D387-R395 IonicContact OD2-NE 3.47Å; D387-R395 PolarHBondContact OD2-NE 3.35Å; D387-R395 IonicContact OD2-NH2 3.45Å; D387-R395 PolarHBondContact OD2-NH2 2.8Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 PolarHBondContact O-N 2.79Å; E391-R395 IonicContact OE1-CZ 3.5Å; E391-R395 IonicContact OE1-NH1 3.44Å; E391-R395 PolarHBondContact OE1-NH1 3.28Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.15Å; E391-R395 IonicContact OE2-CZ 3.68Å; E391-R395 IonicContact OE2-NH1 2.7Å; E391-R395 PolarHBondContact OE2-NH1 3.35Å; E391-R395 IonicContact OE2-NH2 3.47Å; E391-R395 PolarHBondContact OE2-NH2 3.21Å; R395-Q398 PolarHBondContact O-N 2.9Å; R395-Q399 WeakPolarHBondContact O-CB 3.14Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.82Å
396K77Confident69Low87 Ų8795.5 Ų95.538%0.37851%0.506SS..Hα-helixtrans-58.8-46.9175.2-69163.2-169160.30111.6E389 R392 H393 Q399 L400E389-K396 IonicContact OE1-NZ 2.82Å; E389-K396 PolarHBondContact OE1-NZ 3.28Å; R392-K396 VanDerWaalsContact O-CG 3.28Å; R392-K396 WeakPolarHBondContact O-CG 3.35Å; R392-K396 PolarHBondContact O-N 3Å; R392-K396 VanDerWaalsContact O-N 3.1Å; H393-K396 WeakPolarHBondContact O-CB 3.5Å; H393-K396 PolarHBondContact O-N 3.48Å; K396-Q399 PolarHBondContact O-N 3.47Å; K396-L400 WeakPolarHBondContact O-CG 3.35Å; K396-L400 PolarHBondContact O-N 3.43Å
397I74.1Confident66.9Low80 Ų80103.1 Ų103.141%0.4154%0.536SS..Hα-helixtrans-62.8-46.5175.7-69.6174.2000110.9H393 T394 Q399 L400 I401H393-I397 PolarHBondContact O-N 2.73Å; T394-I397 PolarHBondContact O-N 3.47Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 3.47Å; I397-L400 WeakPolarHBondContact O-CB 3.5Å; I397-L400 PolarHBondContact O-N 2.8Å; I397-I401 HydrophobicContact CG2-CD1 3.67Å; I397-I401 HydrophobicContact CG2-CG1 4.37Å; I397-I401 PolarHBondContact O-N 3.49Å
398Q71.9Confident64.9Low120 Ų120103.9 Ų103.956%0.56155%0.547SS*.Hα-helixtrans-64-32.9-177.2-173.858.787.100112.4T394 R395 I401 G402T394-Q398 WeakPolarHBondContact O-CB 3.47Å; T394-Q398 PolarHBondContact O-N 2.81Å; R395-Q398 PolarHBondContact O-N 2.9Å; Q398-I401 PolarHBondContact O-N 2.88Å; Q398-G402 PolarHBondContact O-N 2.97Å
399Q69.1Low63.8Low150 Ų150107.9 Ų107.970%0.70157%0.572SS**Hα-helixtrans-69.5-33172.7-74.1174.1-16.800112.8R395 K396 I397R395-Q399 WeakPolarHBondContact O-CB 3.14Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 2.82Å; K396-Q399 PolarHBondContact O-N 3.47Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 3.47Å
400L63.9Low63Low141 Ų141109 Ų10974%0.73859%0.585SS**Hα-helixtrans-74-28.8174.1-70.7166.3000113.1K396 I397 P403K396-L400 WeakPolarHBondContact O-CG 3.35Å; K396-L400 PolarHBondContact O-N 3.43Å; I397-L400 WeakPolarHBondContact O-CB 3.5Å; I397-L400 PolarHBondContact O-N 2.8Å; L400-P403 WeakPolarHBondContact O-CD 3.35Å
401I62.4Low62.6Low99 Ų99109.7 Ų109.751%0.50859%0.593SS.*Hα-helixtrans-85.3-19.6175-63.6174.8000111.8I397 Q398 P403 M404I397-I401 HydrophobicContact CG2-CD1 3.67Å; I397-I401 HydrophobicContact CG2-CG1 4.37Å; I397-I401 PolarHBondContact O-N 3.49Å; Q398-I401 PolarHBondContact O-N 2.88Å; I401-P403 WeakPolarHBondContact O-CD 3.48Å; I401-P403 VanDerWaalsContact O-N 3.15Å; I401-M404 PolarHBondContact O-N 3.32Å; I401-M404 VanDerWaalsContact O-N 3.12Å
402G63.1Low61.4Low50 Ų50108.5 Ų108.552%0.51560%0.6SS.*THydrogen-bonded Turntrans-49.6-31.5-178.100000118.9Q398 M404Q398-G402 PolarHBondContact O-N 2.97Å; G402-M404 VanDerWaalsContact C-N 3.27Å; G402-M404 PolarHBondContact O-N 3.47Å
403P57.6Low60.5Low112 Ų112110.6 Ų110.673%0.72762%0.619SS**THydrogen-bonded Turntrans-76.9-6.1178.729.6-34.8000114.6L400 I401 G405L400-P403 WeakPolarHBondContact O-CD 3.35Å; I401-P403 WeakPolarHBondContact O-CD 3.48Å; I401-P403 VanDerWaalsContact O-N 3.15Å; P403-G405 PolarHBondContact O-N 2.78Å
404M53.5Low59.4Low141 Ų141110.3 Ų110.370%0.69563%0.629SS**  trans-93.285.1170.8-78.2-66.7-67.200110.2I401 G402 L406I401-M404 PolarHBondContact O-N 3.32Å; I401-M404 VanDerWaalsContact O-N 3.12Å; G402-M404 VanDerWaalsContact C-N 3.27Å; G402-M404 PolarHBondContact O-N 3.47Å; M404-L406 PolarHBondContact O-N 2.8Å
405G52.7Low58Low80 Ų80114.8 Ų114.883%0.82564%0.643SS**  trans-70.664.2-179.100000114.4P403P403-G405 PolarHBondContact O-N 2.78Å
406L53.2Low56.5Low117 Ų117117.3 Ų117.361%0.61366%0.663SS**  trans-136.2123.6-176.1-147.470.4000112.2M404M404-L406 PolarHBondContact O-N 2.8Å
407F51Low54.9Low174 Ų174120.1 Ų120.176%0.76368%0.682SS**  trans79.1119.1173.9-52-63.2000119.2
408S43.1Very low53.3Low83 Ų83119.6 Ų119.658%0.5870%0.697SS**  trans-64.5147.7168.1-43.70000112.1T410S408-T410 PolarHBondContact O-N 3.34Å
409P52.3Low52.4Low119 Ų119120.6 Ų120.677%0.77371%0.706SS**THydrogen-bonded Turntrans-64.7-12.2-174.425.9-35.7000115.1
410T52Low51Low114 Ų114119.6 Ų119.670%0.69970%0.703SS**THydrogen-bonded Turntrans-77.6-24-174.7-53.10000114.7S408S408-T410 PolarHBondContact O-N 3.34Å
411I54Low50.1Low135 Ų135121.3 Ų121.369%0.69270%0.701SS**THydrogen-bonded Turntrans-104.3-27.7-168.1-62-179.3000113.2L413I411-L413 PolarHBondContact O-N 2.75Å
412A47.2Very low49.6Very low70 Ų70120.1 Ų120.158%0.57970%0.701SS**THydrogen-bonded Turntrans-74.3-23.3-176.400000114.6
413L51Low49.1Very low157 Ų157123.5 Ų123.582%0.82270%0.704SS**THydrogen-bonded Turntrans-93.20.7-166.6-140.674000115.3I411I411-L413 PolarHBondContact O-N 2.75Å
414S50.7Low48.8Very low101 Ų101123.8 Ų123.871%0.70670%0.697SS**SBendtrans-105.5-6-171.6-54.50000115.8
415Q43.8Very low48.9Very low184 Ų184122.2 Ų122.286%0.8669%0.69SS**SBendtrans-128.6-5.1-174-69.9-163-37.900116.4
416L43Very low48.8Very low149 Ų149123.8 Ų123.878%0.7868%0.676SS**SBendtrans-107.2110.1178-65.8179.1000111.6
417N42.9Very low48.7Very low146 Ų146123.7 Ų123.778%0.78168%0.676SS**  trans-56.8136.7174-89.7-28.1000111.2N419N417-N419 PolarHBondContact O-N 3.11Å
418G41.5Very low48.4Very low70 Ų70122.2 Ų122.272%0.72267%0.673SS**THydrogen-bonded Turntrans-64.111.8-172.500000117.8
419N51.6Low48.8Very low141 Ų141122.2 Ų122.275%0.75468%0.678SS**THydrogen-bonded Turntrans-92.3-13-179.6-66.310.9000113.3N417N417-N419 PolarHBondContact O-N 3.11Å
420M41.1Very low48.6Very low128 Ų128123.9 Ų123.963%0.63168%0.676SS**Hα-helixtrans-86.2-23.4-177.2-67.5-90.661.200114S422 Q423M420-S422 VanDerWaalsContact C-N 3.3Å; M420-S422 PolarHBondContact O-N 3.39Å; M420-Q423 HydrophobicContact CE-CB 4.18Å; M420-Q423 HydrophobicContact CE-CG 4.19Å; M420-Q423 PolarHBondContact O-N 2.96Å
421Y45.2Very low48.4Very low177 Ų177122.6 Ų122.669%0.69467%0.668SS**Hα-helixtrans-67.2-28.2-176.9-133.7-88.2000113.4M424 I425Y421-M424 WeakPolarHBondContact O-CG 3.5Å; Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 WeakPolarHBondContact O-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.42Å
422S51.5Low47.9Very low74 Ų74118.8 Ų118.852%0.51765%0.651SS.*Hα-helixtrans-72.9-45.3176.7162.30000112.2M420 M424 I425 E426M420-S422 VanDerWaalsContact C-N 3.3Å; M420-S422 PolarHBondContact O-N 3.39Å; S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.4Å; S422-I425 PolarHBondContact O-N 3.5Å; S422-I425 VanDerWaalsContact O-N 3.14Å; S422-E426 PolarHBondContact O-N 3.4Å; S422-E426 VanDerWaalsContact O-N 3.12Å
423Q52.5Low47.6Very low121 Ų121118.7 Ų118.757%0.56566%0.657SS**Hα-helixtrans-62.5-35.1-175.7-73.4-76.9-26.600113.1M420 N427M420-Q423 HydrophobicContact CE-CB 4.18Å; M420-Q423 HydrophobicContact CE-CG 4.19Å; M420-Q423 PolarHBondContact O-N 2.96Å; Q423-N427 PolarHBondContact O-N 2.95Å
424M51.5Low47.2Very low118 Ų118122.9 Ų122.958%0.58166%0.663SS**Hα-helixtrans-74.7-24.2177.968.2-178.7-67.600113.9Y421 S422 M428Y421-M424 WeakPolarHBondContact O-CG 3.5Å; S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.4Å; M424-M428 PolarHBondContact O-N 2.82Å
425I56.1Low47Very low108 Ų108122.4 Ų122.455%0.55465%0.652SS**Hα-helixtrans-79.1-42.4176.1-66.3172.8000109.8Y421 S422 N427 M428 A429Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 WeakPolarHBondContact O-CD1 3.49Å; Y421-I425 WeakPolarHBondContact O-CG1 3.42Å; S422-I425 PolarHBondContact O-N 3.5Å; S422-I425 VanDerWaalsContact O-N 3.14Å; I425-N427 VanDerWaalsContact C-N 3.33Å; I425-N427 PolarHBondContact O-N 3.21Å; I425-M428 PolarHBondContact O-N 2.82Å; I425-A429 PolarHBondContact O-N 3.05Å; I425-A429 VanDerWaalsContact O-N 3.12Å
426E50.2Low47.3Very low113 Ų113118.7 Ų118.753%0.52864%0.638SS.*Hα-helixtrans-57.1-43.7176.3-157.777-144.300112S422 A429S422-E426 PolarHBondContact O-N 3.4Å; S422-E426 VanDerWaalsContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.47Å
427N49.9Very low47.9Very low116 Ų116116.4 Ų116.462%0.6263%0.632SS**Hα-helixtrans-74.9-26.2-179.1-117-106.9000113.9Q423 I425Q423-N427 PolarHBondContact O-N 2.95Å; I425-N427 VanDerWaalsContact C-N 3.33Å; I425-N427 PolarHBondContact O-N 3.21Å
428M46.3Very low48.7Very low142 Ų142114.9 Ų114.970%0.763%0.628SS**Hα-helixtrans-80.1-22175.1-167.3165.9-74.200112.4M424 I425 Q430M424-M428 PolarHBondContact O-N 2.82Å; I425-M428 PolarHBondContact O-N 2.82Å; M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.28Å
429A49.7Very low49.7Very low83 Ų83113.3 Ų113.369%0.68661%0.608SS**THydrogen-bonded Turntrans-74.6-17.8176.800000114.3I425 E426I425-A429 PolarHBondContact O-N 3.05Å; I425-A429 VanDerWaalsContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.47Å
430Q48.9Very low50Low154 Ų154108.3 Ų108.372%0.7259%0.586SS**THydrogen-bonded Turntrans-95.62.5-175.1-63.5-174.814.400114.1M428M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.28Å
431T47.9Very low51Low88 Ų88107.5 Ų107.554%0.5458%0.584SS.*SBendtrans-139147.8177.1-173.60000111.6
432T44.5Very low51.7Low55 Ų55101.2 Ų101.234%0.33757%0.569SS.*  trans65.143.9177.468.50000117.8Y434 I435T432-Y434 PolarHBondContact O-N 2.9Å; T432-I435 HydrophobicContact CG2-CD1 3.96Å; T432-I435 HydrophobicContact CG2-CG1 4.35Å
433G39.7Very low52.3Low67 Ų67102.3 Ų102.369%0.69157%0.568SS**THydrogen-bonded Turntrans-54.6133.2147.900000110
434Y42.3Very low52.6Low246 Ų246103.2 Ų103.297%0.96557%0.572SS**THydrogen-bonded Turntrans61.932.6178.7-61.3-85000117.7T432T432-Y434 PolarHBondContact O-N 2.9Å
435I47.4Very low53Low90 Ų90103 Ų10346%0.46257%0.573SS.*  trans-125.9133.9168.1-33.1-173000112.5T432 A439T432-I435 HydrophobicContact CG2-CD1 3.96Å; T432-I435 HydrophobicContact CG2-CG1 4.35Å; I435-A439 HydrophobicContact CG2-CB 3.7Å
436N49.1Very low53.1Low107 Ų107103.8 Ų103.857%0.57257%0.574SS**  trans-56.6134.1179.3-170.4-40.1000111.2V438 A439 A440N436-V438 PolarHBondContact O-N 3.05Å; N436-V438 PolarHBondContact OD1-N 2.79Å; N436-A439 WeakPolarHBondContact O-CB 3.44Å; N436-A439 PolarHBondContact O-N 3.28Å; N436-A440 PolarHBondContact O-N 3.47Å
437P55.9Low53.4Low101 Ų101105.2 Ų105.266%0.65658%0.58SS**Hα-helixtrans-56.8-26.3-172.719.6-33.8000114.8A439 A440 L441P437-A439 VanDerWaalsContact C-N 3.31Å; P437-A439 PolarHBondContact O-N 2.97Å; P437-A440 PolarHBondContact O-N 3.46Å; P437-L441 PolarHBondContact O-N 3.15Å; P437-L441 VanDerWaalsContact O-N 3.15Å
438V59.9Low53.3Low113 Ų113103.4 Ų103.469%0.68558%0.582SS**Hα-helixtrans-59.3-39.1172.1168.40000112.3N436 A442N436-V438 PolarHBondContact O-N 3.05Å; N436-V438 PolarHBondContact OD1-N 2.79Å; V438-A442 PolarHBondContact O-N 2.93Å; V438-A442 VanDerWaalsContact O-N 3.09Å
439A61.5Low53.5Low38 Ų38100.7 Ų100.731%0.31458%0.577SS.*Hα-helixtrans-77.3-33.7-178.900000112.6I435 N436 P437 L441 A442 L443I435-A439 HydrophobicContact CG2-CB 3.7Å; N436-A439 WeakPolarHBondContact O-CB 3.44Å; N436-A439 PolarHBondContact O-N 3.28Å; P437-A439 VanDerWaalsContact C-N 3.31Å; P437-A439 PolarHBondContact O-N 2.97Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-A442 PolarHBondContact O-N 2.91Å; A439-L443 PolarHBondContact O-N 3.49Å; A439-L443 VanDerWaalsContact O-N 3.09Å
440A58.7Low53.5Low35 Ų35103.7 Ų103.729%0.28958%0.577SS.*Hα-helixtrans-62.3-42172.200000111.2N436 P437 L443 Q444N436-A440 PolarHBondContact O-N 3.47Å; P437-A440 PolarHBondContact O-N 3.46Å; A440-L443 PolarHBondContact O-N 3.1Å; A440-Q444 PolarHBondContact O-N 3.05Å; A440-Q444 VanDerWaalsContact O-N 3.13Å
441L62.5Low53.2Low112 Ų112104.2 Ų104.259%0.58658%0.584SS**Hα-helixtrans-67.5-36.6175.7-174.160000112.7P437 A439 Q444 L445P437-L441 PolarHBondContact O-N 3.15Å; P437-L441 VanDerWaalsContact O-N 3.15Å; A439-L441 VanDerWaalsContact C-N 3.33Å; L441-Q444 PolarHBondContact O-N 3.22Å; L441-L445 HydrophobicContact CG-CD1 4.38Å; L441-L445 PolarHBondContact O-N 2.68Å; L441-L445 VanDerWaalsContact O-N 3.1Å
442A60.8Low52.9Low45 Ų45104.5 Ų104.537%0.37260%0.595SS.*Hα-helixtrans-62.2-44.7175.300000112.4V438 A439 L445 Q446V438-A442 PolarHBondContact O-N 2.93Å; V438-A442 VanDerWaalsContact O-N 3.09Å; A439-A442 PolarHBondContact O-N 2.91Å; A442-L445 PolarHBondContact O-N 3.15Å; A442-Q446 PolarHBondContact O-N 3.27Å
443L62.7Low52.5Low97 Ų97107.6 Ų107.651%0.50861%0.614SS.*Hα-helixtrans-62.6-42.5175.1-81165.6000112.2A439 A440 L445 Q446 H447A439-L443 PolarHBondContact O-N 3.49Å; A439-L443 VanDerWaalsContact O-N 3.09Å; A440-L443 PolarHBondContact O-N 3.1Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.22Å; L443-Q446 PolarHBondContact O-N 2.96Å; L443-H447 PolarHBondContact O-N 3.36Å
444Q59.7Low52.5Low139 Ų139111.3 Ų111.365%0.6562%0.623SS**Hα-helixtrans-60.7-38.9177.9-169.470.6-9.200112.2A440 L441 H447 A448A440-Q444 PolarHBondContact O-N 3.05Å; A440-Q444 VanDerWaalsContact O-N 3.13Å; L441-Q444 PolarHBondContact O-N 3.22Å; Q444-H447 PolarHBondContact O-N 2.8Å; Q444-A448 PolarHBondContact O-N 3.49Å
445L59.4Low52.6Low115 Ų115106.5 Ų106.560%0.60261%0.614SS**Hα-helixtrans-69.6-32.1177.1-81.2163.5000113.4L441 A442 L443 H447 A448 S449L441-L445 HydrophobicContact CG-CD1 4.38Å; L441-L445 PolarHBondContact O-N 2.68Å; L441-L445 VanDerWaalsContact O-N 3.1Å; A442-L445 PolarHBondContact O-N 3.15Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.22Å; L445-H447 VanDerWaalsContact C-N 3.32Å; L445-A448 PolarHBondContact O-N 3.38Å; L445-S449 PolarHBondContact O-OG 3.25Å
446Q59.2Low52.1Low124 Ų124110 Ų11058%0.57963%0.633SS**Hα-helixtrans-73.6-21.1175.5-71.1-172.7-100.400113.7A442 L443 S449 Q450A442-Q446 PolarHBondContact O-N 3.27Å; L443-Q446 PolarHBondContact O-N 2.96Å; Q446-S449 PolarHBondContact O-OG 2.9Å; Q446-Q450 PolarHBondContact O-NE2 2.76Å
447H54.7Low51.8Low142 Ų142110 Ų11066%0.65764%0.638SS**Hα-helixtrans-85.8-28.9172.9-85.2-139.9000113L443 Q444 L445 S449L443-H447 PolarHBondContact O-N 3.36Å; Q444-H447 PolarHBondContact O-N 2.8Å; L445-H447 VanDerWaalsContact C-N 3.32Å; H447-S449 VanDerWaalsContact C-N 3.25Å; H447-S449 PolarHBondContact O-N 3.36Å
448A48.8Very low51.2Low79 Ų79111.1 Ų111.165%0.65364%0.643SS**Hα-helixtrans-69.5-17.2178.400000114.6Q444 L445Q444-A448 PolarHBondContact O-N 3.49Å; L445-A448 PolarHBondContact O-N 3.38Å
449S50.2Low50.3Low85 Ų85112.8 Ų112.859%0.59465%0.649SS**THydrogen-bonded Turntrans-99.74.8-169.745.20000115.5L445 Q446 H447L445-S449 PolarHBondContact O-OG 3.25Å; Q446-S449 PolarHBondContact O-OG 2.9Å; H447-S449 VanDerWaalsContact C-N 3.25Å; H447-S449 PolarHBondContact O-N 3.36Å
450Q48.9Very low49.2Very low145 Ų145116.8 Ų116.868%0.67867%0.669SS**SBendtrans-120.215.7-170.2-63.6-174.282.700115Q446Q446-Q450 PolarHBondContact O-NE2 2.76Å
451L43.6Very low48.6Very low166 Ų166120.4 Ų120.487%0.86969%0.688SS**SBendtrans-125.312.1-178.4-92.7159.8000114.3
452A42.5Very low47.6Very low94 Ų94121.6 Ų121.678%0.77769%0.694SS**SBendtrans-10611.4-175.400000114.5
453T36Very low46.5Very low119 Ų119126.5 Ų126.573%0.7371%0.714SS**SBendtrans-127.3144.418044.80000111.1
454V39.3Very low45.2Very low146 Ų146125.8 Ų125.889%0.88572%0.722SS**SBendtrans70.784.1-174-166.30000114
455N44.7Very low44.1Very low145 Ų145127.6 Ų127.678%0.77573%0.732SS**  171.791.7115.4-175.436.7000112.6
456L36.6Very low43.4Very low164 Ų164130 Ų13086%0.85974%0.744SS**  trans-157.2121157.1-148.673.8000108.7
457P41.8Very low42.2Very low105 Ų105129.5 Ų129.568%0.68275%0.754SS**  -141150.6101.839.3-25.7000111.9
458T43.9Very low41.4Very low125 Ų125127.2 Ų127.277%0.76776%0.76SS**  -177.7168.47330.80000111.3
459N40.1Very low40.9Very low149 Ų149131.3 Ų131.380%0.79777%0.77SS**  trans84.3145157.3-146.94.9000117.9
460V40.2Very low40.2Very low121 Ų121134.1 Ų134.173%0.73378%0.784SS**  trans-116.6-170.8-171.9-73.80000109.6
461T44.7Very low39.7Very low112 Ų112135.5 Ų135.569%0.68780%0.796SS**  trans8474.1166.6-29.10000116.5
462N41Very low39.4Very low136 Ų136131.3 Ų131.373%0.72779%0.792SS**  -168.8128111.1-90.8-28000109
463L39.1Very low39.5Very low149 Ų149132.1 Ų132.178%0.7879%0.792SS**  6384.573.4-155.478.5000109.1
464A35.3Very low39.7Very low82 Ų82132.5 Ų132.568%0.67880%0.8SS**  70.7149.87600000113.5
465M37.2Very low39.6Very low176 Ų176129.1 Ų129.187%0.86779%0.794SS**  trans77.992.6-173.6-52.6-62.4-136.800116.6
466I44Very low39.2Very low167 Ų167130 Ų13086%0.85679%0.794SS**  trans-174.385.2135-92.3151.8000104.3
467S34Very low39.1Very low112 Ų112129.6 Ų129.678%0.78379%0.792SS**  79.984.989.7-66.40000112.6
468A38.6Very low38.9Very low95 Ų95128.3 Ų128.379%0.78580%0.797SS**  trans-84.3135.3160.400000109.8
469L37.1Very low38.5Very low165 Ų165128.3 Ų128.386%0.86480%0.801SS**  trans-174.3124.4151-132.277.2000110.7
470T36.1Very low38.6Very low144 Ų144125.7 Ų125.788%0.88380%0.8SS**  trans-17278.6143.7360000110.7
471N38.2Very low38.7Very low174 Ų174125.5 Ų125.593%0.9380%0.801SS**  trans-165.6141.5152.7-117.1-9.8000109
472G37.5Very low38.5Very low77 Ų77127.6 Ų127.679%0.79481%0.807SS**  trans114.9106.9-178.600000113.2
473S43.7Very low38.4Very low111 Ų111127.4 Ų127.478%0.77681%0.806SS**  trans-85.4162.1-175.8-48.90000113.7
474S41.3Very low38.2Very low128 Ų128128.4 Ų128.490%0.89581%0.806SS**  trans74.3138.4152.2-51.70000119.3
475G36.8Very low38.5Very low74 Ų74129.7 Ų129.776%0.76381%0.81SS**  trans129.246.7144.900000121.9
476H36.2Very low39Very low164 Ų164126.8 Ų126.876%0.75980%0.804SS**  trans50.4106.3137.7-177.3-71.9000121.4
477L34.6Very low38.7Very low156 Ų156129.6 Ų129.682%0.81780%0.804SS**  trans50.1137.8147.5-47.1-175.6000121.5
478G37.3Very low39.1Very low78 Ų78128.9 Ų128.980%0.80480%0.799SS**  trans163.849.4161.900000121.3
479C35.3Very low39.2Very low125 Ų125127.5 Ų127.585%0.84579%0.794SS**  trans15.4115.7161.5-156.10000122.2
480A42.7Very low39.4Very low94 Ų94126.2 Ų126.278%0.77779%0.793SS**  trans69.1145.4143.500000122.1
481P42.7Very low39.7Very low116 Ų116124 Ų12475%0.75379%0.79SS**  trans-114154.2-174.540.8-31.9000115.6
482L39.5Very low39.6Very low156 Ų156122.1 Ų122.182%0.81778%0.78SS**  trans-154.1124.5155-80.8-172.1000114
483L40.4Very low39.8Very low132 Ų132125.6 Ų125.669%0.69178%0.779SS**  trans66.2156.8139.6-60.1166.3000123
484H34.7Very low39.5Very low171 Ų171125 Ų12579%0.79278%0.775SS**  trans78.6108.8157.9-57.7121.2000121.9
485S40.6Very low39.7Very low109 Ų109124.4 Ų124.476%0.76277%0.768SS**  trans-89.7-163.6149-33.20000109.6
486P48.3Very low39.7Very low114 Ų114127.9 Ų127.974%0.7477%0.769SS**  cis-135.1-142.3-16.634.5-10.4000111.6
487R38.2Very low39.4Very low226 Ų226124.7 Ų124.785%0.85376%0.764SS**  trans76.7145.4168.6-67.7169.863.6109.4-4.7116
488S40.8Very low39.5Very low98 Ų98125.2 Ų125.269%0.68576%0.762SS**  cis-158.4163-9.4-91.10000107.1
489G42.2Very low39.5Very low65 Ų65127 Ų12767%0.6776%0.758SS**  cis178-160.24.900000107.9
490T40.9Very low39.5Very low139 Ų139128.6 Ų128.685%0.85376%0.758SS**  cis-179.4104.8-2623.90000109.3
491A42Very low39.5Very low98 Ų98129.8 Ų129.881%0.8176%0.758SS**  trans-173.5112.8159.900000107.2
492N36.8Very low39.1Very low134 Ų134133.3 Ų133.372%0.71777%0.766SS**  cis68.9113.548.3-150.120.7000110.4
493L40.6Very low38.9Very low150 Ų150130.4 Ų130.479%0.78577%0.765SS**  -144.6132.851.2-71.9136000111
494S37.3Very low38.6Very low99 Ų99128.7 Ų128.769%0.69277%0.769SS**  93152.184.3-72.40000115.1
495P45.5Very low38.5Very low114 Ų114125.3 Ų125.374%0.7477%0.771SS**  trans-132.5-154.2-13445.3-29.6000115.8
496N37.5Very low38.1Very low148 Ų148125 Ų12579%0.79178%0.775SS**  trans79.9145.5-179.8-75.9-10.7000116
497C30.6Very low37.3Very low97 Ų97124.1 Ų124.166%0.65578%0.778SS**  cis-162.5149-7.246.20000114.5
498H36.1Very low37.1Very low167 Ų167118.2 Ų118.277%0.77378%0.777SS**  trans55.5132.9146.6-63.5121.5000124.3
499T36.2Very low36.8Very low116 Ų116117.8 Ų117.871%0.71278%0.78SS**  trans72.4106.4141.748.90000122.9
500N36.6Very low36.5Very low157 Ų157119.3 Ų119.384%0.8479%0.786SS**  trans74.4155.5135.2-66.36.5000121
501P42.1Very low36.1Very low120 Ų120118.5 Ų118.578%0.77978%0.78SS**  trans-127179.5-156.842.1-26000116.3
502M33.7Very low35.9Very low190 Ų190121.2 Ų121.294%0.93678%0.781SS**  trans97.5141.3157.3-157.3171-173.100118.5
503A35.2Very low35.9Very low95 Ų95117.8 Ų117.879%0.78578%0.776SS**  trans94.6136.2164.500000120.8
504A34.7Very low35.9Very low95 Ų95118.9 Ų118.979%0.78578%0.78SS**  trans64.185.8148.200000122.3
505A33.3Very low35.9Very low101 Ų101119.8 Ų119.884%0.83579%0.786SS**  46.3136.2112.200000124.2
506A32.2Very low35.4Very low101 Ų101117.4 Ų117.484%0.83578%0.782SS**  trans71.4119.5142.700000121.9
507A31.6Very low35.5Very low97 Ų97116.1 Ų116.180%0.80279%0.785SS**  178.8150.511200000113.3
508A33.8Very low35.7Very low102 Ų102118.9 Ų118.984%0.84379%0.793SS**  trans62.5156159.100000119.8
509A34.3Very low36Very low89 Ų89115.9 Ų115.974%0.73679%0.789SS**  cis-169.8162.1-27.500000110.5
510A35.1Very low35.9Very low97 Ų97119.1 Ų119.180%0.80280%0.795SS**  trans70.9157.2157.600000117.1
511V34.1Very low35.9Very low121 Ų121118.4 Ų118.473%0.73379%0.791SS**  cis-158.2148-498.80000111.8
512L36.9Very low35.5Very low156 Ų156117.9 Ų117.982%0.81779%0.785SS**  trans53.1143.3162.4-59171.5000120.7
513G35.9Very low35.6Very low61 Ų61117 Ų11763%0.62978%0.779SS**  cis169.2171.1-8.700000114.4
514M41.2Very low35.5Very low174 Ų174119.7 Ų119.786%0.85778%0.779SS**  trans61.2132.4149.8-6415568.600119.3
515S36.6Very low35.5Very low118 Ų118120.3 Ų120.383%0.82578%0.777SS**  cis-163.1160.5-4.3-73.50000108.1
516G36.6Very low36Very low64 Ų64119.9 Ų119.966%0.6677%0.766SS**  cis170.5176.3-2.900000111.6
517S39.4Very low36.1Very low121 Ų121123 Ų12385%0.84676%0.763SS**  trans66.7132.4170.5-57.80000119
518N34.1Very low36.2Very low155 Ų155126 Ų12683%0.82976%0.763SS**  cis-156.1152.7-18.9-138.417.4000110.6
519P41.9Very low36.2Very low104 Ų104125.6 Ų125.668%0.67576%0.76SS**  trans-125.2168.9-164.943.2-32000116.7
520Q34.9Very low36.3Very low183 Ų183126.1 Ų126.186%0.85576%0.764SS**  trans-178.5150.9140.1-101.8174.9-63.200108.1
521L35.4Very low36.1Very low143 Ų143129.5 Ų129.575%0.74977%0.768SS**  cis-143.1139.410.4-156.8141.4000111.6
522T35.6Very low36.2Very low108 Ų108129.7 Ų129.766%0.66377%0.774SS**  trans-59.9173.7179.246.20000114.9
523Q33.8Very low36Very low173 Ų173130 Ų13081%0.80878%0.777SS**  cis-168.9134.936.3178.8-179.4-11.700107.1
524I34.3Very low36.2Very low150 Ų150133.9 Ų133.977%0.76979%0.788SS**  cis94.8131.742-65.4174.8000114.7
525S33.9Very low35.9Very low108 Ų108132.8 Ų132.876%0.75579%0.786SS**  trans-132.7-164.6179.3-146.60000107.8
526P44.4Very low35.7Very low93 Ų93131.4 Ų131.460%0.60478%0.776SS**  cis-135.2-158.2-20.238.7-17.2000113.2
527Q34Very low35.5Very low166 Ų166134.4 Ų134.478%0.77678%0.782SS**  trans68.3157.9153.2-71.3170.9-21.700120.3
528M33.1Very low35Very low159 Ų159134.5 Ų134.578%0.78378%0.781SS**  cis-168.1156.9-29.4-169.9-169.8-71.900110.6
529A34.8Very low34.9Very low95 Ų95133.3 Ų133.379%0.78578%0.779SS**  trans97.2168.4150.300000121.4
530A36.4Very low34.4Very low99 Ų99134 Ų13482%0.81879%0.786SS**  trans92.474.6172.100000121.1
531L31Very low34.5Very low169 Ų169128.3 Ų128.389%0.88578%0.776SS**  trans1137.6140.5-55.3167000120.8
532S36.1Very low34.4Very low125 Ų125130.1 Ų130.187%0.87478%0.781SS**  173.5154.7113.5-76.90000114.9
533N33.4Very low34.5Very low163 Ų163131 Ų13187%0.87279%0.786SS**  trans-98.7138.4-176.6-73.6-6.4000114.8
534V38.6Very low34.6Very low141 Ų141126.3 Ų126.386%0.85579%0.785SS**  trans-168.7117.7139.4-95.80000106
535N34.6Very low34.9Very low152 Ų152124.3 Ų124.381%0.81378%0.784SS**  73.9139.858.9-162.533.6000114.8
536S32.9Very low35.2Very low88 Ų88125.8 Ų125.862%0.61578%0.784SS**  trans68.8121.7-177-69.10000115.8
537T33.1Very low35Very low128 Ų128128.3 Ų128.379%0.78579%0.792SS**  62131.364.668.80000113.1
538C29.4Very low35.8Very low123 Ų123124.9 Ų124.983%0.83178%0.784SS**  cis-159.7-17219.450.30000114.5
539V30.3Very low36.2Very low130 Ų130123.4 Ų123.479%0.78878%0.784SS**  trans-57.8155.8-174.3-69.60000119.8
540S33.5Very low36.4Very low118 Ų118125.5 Ų125.583%0.82578%0.782SS**  156151.3119.7-66.10000116.4
541G35.2Very low36.6Very low63 Ų63128.2 Ų128.265%0.64978%0.783SS**  trans85.4130163.400000117.3
542E34.5Very low37Very low181 Ų181123.2 Ų123.285%0.84677%0.772SS**  cis89.3136.431.893-174.496.900114.4
543T36.2Very low37.1Very low126 Ų126124.9 Ų124.977%0.77377%0.771SS**  cis-156.5159.623.328.70000114.5
544G37.9Very low37.5Very low75 Ų75121.6 Ų121.677%0.77376%0.761SS**  trans71.1158.9158.600000118.7
545S40.1Very low37.4Very low108 Ų108120.5 Ų120.576%0.75576%0.755SS**  cis179.7163.7-11.4-104.50000107.2
546N39.9Very low37.3Very low140 Ų140118.2 Ų118.275%0.74976%0.757SS**  cis-156.8152.2-1.2-93.9-9.2000106.9
547N39.3Very low37.3Very low145 Ų145118.4 Ų118.478%0.77576%0.764SS**  74.8138.161.5-152.142.3000114.8
548P52.6Low37.2Very low94 Ų94116.8 Ų116.861%0.6176%0.764SS**  cis-134.6-176.63.935.4-13.8000118.8
549T39.7Very low37.2Very low129 Ų129115.6 Ų115.679%0.79176%0.762SS**  trans83.5160.6168.377.60000115.8
550N39.2Very low37Very low138 Ų138114.2 Ų114.274%0.73877%0.765SS**  cis-145.6-178.110.6-152.8-10.4000113.4
551N40.8Very low36.9Very low157 Ų157113 Ų11384%0.8476%0.762SS**  trans-68.3154.1-175.7-62.6-25.9000115.2
552G39.9Very low36.5Very low64 Ų64114.3 Ų114.366%0.6677%0.766SS**  cis158165.7-10.100000115.4
553N38.8Very low36.2Very low160 Ų160113.7 Ų113.786%0.85677%0.768SS**  trans66.7141.2164-60.61.4000117.7
554S40.8Very low35.9Very low93 Ų93113 Ų11365%0.6577%0.769SS**  cis-170.5158.5-0.4-1160000111.4
555T37.7Very low35.7Very low119 Ų119116.5 Ų116.573%0.7378%0.775SS**  cis-169.2125.2-26.614.70000110.2
556A31.8Very low35.2Very low104 Ų104118.8 Ų118.886%0.8678%0.779SS**  trans67.6163.1150.400000119.2
557A32.1Very low34.7Very low91 Ų91116.4 Ų116.475%0.75278%0.779SS**  cis-154.3165.45.900000113
558A32.5Very low34.2Very low95 Ų95114.2 Ų114.279%0.78578%0.78SS**  trans49.7133.215700000120.1
559A28.7Very low33.2Very low97 Ų97119 Ų11980%0.80280%0.797SS**  cis83.5132.520.900000117.5
560A26.8Very low32.7Very low102 Ų102117.6 Ų117.684%0.84380%0.799SS**  trans78.9156173.100000119
561A29.8Very low32.2Very low93 Ų93116 Ų11677%0.76981%0.805SS**  trans62.1135.7-170.400000115
562A26.7Very low31.8Very low89 Ų89113.5 Ų113.574%0.73681%0.805SS**  cis80149.526.400000115.5
563L28.7Very low31.3Very low169 Ų169114.9 Ų114.989%0.88581%0.81SS**  trans77.4131.4-172-71.277.5000116.6
564S29.6Very low31Very low112 Ų112112.1 Ų112.178%0.78381%0.81SS**  trans-69.9148.1165.964.90000111.7
565T34.8Very low30.6Very low147 Ų147112.3 Ų112.390%0.90282%0.817SS**  trans-127.2114.6156.235.50000109.8
566N28.9Very low30.3Very low156 Ų156112.8 Ų112.883%0.83482%0.82SS**  trans-98.8144.8173.4-164.919.5000108.9
567A28.9Very low30.2Very low91 Ų91114 Ų11475%0.75282%0.816SS**  trans56128.9170.500000119.2
568A28.6Very low30.4Very low98 Ų98114 Ų11481%0.8182%0.816SS**  171.3128.4107.800000112.6
569M33.3Very low30.3Very low196 Ų196118.5 Ų118.597%0.96682%0.823SS**  trans-154.3101.8149.2-114.2-60.2-135.100108.1
570A28.1Very low30.7Very low99 Ų99118.6 Ų118.682%0.81882%0.824SS**  trans-147.1117.3-178.600000110
571A29.3Very low30.9Very low105 Ų105122.2 Ų122.287%0.86883%0.829SS**  trans-175.4111.6161.400000112
572A32.1Very low31.1Very low103 Ų103121.3 Ų121.385%0.85183%0.829SS**  trans166.4146.413900000111.5
573A29.7Very low31.3Very low93 Ų93124.6 Ų124.677%0.76983%0.834SS**  cis-163.5123.2-31.200000110.7
574A31.1Very low31.6Very low102 Ų102121.6 Ų121.684%0.84382%0.823SS**  trans61.1153.2154.200000123.1
575A33.7Very low31.7Very low98 Ų98123 Ų12381%0.8183%0.826SS**  trans71138.5163.700000119.3
576V31.7Very low31.7Very low128 Ų128119 Ų11978%0.77682%0.815SS**  cis-155.2140.4-10.6112.70000112.3
577V30.1Very low31.8Very low131 Ų131119.2 Ų119.279%0.79482%0.816SS**  trans8.6136.7140.6-176.20000117.8
578A34.4Very low31.9Very low90 Ų90120.8 Ų120.874%0.74482%0.816SS**  cis-160.2175.811.700000116
579M32.1Very low32.1Very low189 Ų189123.7 Ų123.793%0.93182%0.818SS**  trans-42.5156.6170.8-50.9166.4178.500119.6
580A35.3Very low32.2Very low100 Ų100119.1 Ų119.183%0.82681%0.805SS**  -168.9160.412400000112.7
581N31.2Very low32.5Very low178 Ų178122.5 Ų122.595%0.95281%0.81SS**  trans-114.8162-173.8-71.9-38.5000113.9
582G34.1Very low32.9Very low73 Ų73120.2 Ų120.275%0.75380%0.796SS**  trans124.9112.9165.300000113
583N31.7Very low33.1Very low158 Ų158121.7 Ų121.785%0.84580%0.795SS**  cis91.114937.5-163.425.2000114.3
584V35.6Very low33.5Very low107 Ų107124.2 Ų124.265%0.64880%0.801SS**  trans86.191167.9-166.90000118.9
585T30.8Very low33.9Very low140 Ų140123 Ų12386%0.85980%0.798SS**  56.5139.4117.1-45.40000123.4
586G34Very low34.3Very low65 Ų65121.4 Ų121.467%0.6779%0.791SS**  trans111.586.7150.900000114.7
587N31.7Very low34.7Very low160 Ų160123.7 Ų123.786%0.85680%0.799SS**  80.1133.280.9-16648.8000115
588V31.3Very low35.2Very low124 Ų124122 Ų12275%0.75280%0.798SS**  trans-68.5145.3-166.3-75.70000116.1
589N33.4Very low35.5Very low158 Ų158121.1 Ų121.185%0.84580%0.798SS**  -159176.8114.7-138.5-25.4000113.2
590S35.7Very low35.9Very low101 Ų101120.8 Ų120.871%0.70679%0.794SS**  trans-110.3158.6-153.2-48.50000117.8
591N33.6Very low35.8Very low170 Ų170120.7 Ų120.791%0.90978%0.783SS**  trans93.8137.2136.7-151.420.9000122.1
592G37.6Very low36.1Very low57 Ų57119.9 Ų119.959%0.58878%0.777SS**  trans84.3156.516000000119.2
593T36.7Very low36.2Very low133 Ų133119.2 Ų119.282%0.81677%0.77SS**  cis-170.9171-18.2-1.80000111.8
594T38.7Very low36.5Very low146 Ų146120.5 Ų120.590%0.89678%0.776SS**  trans76.3148.5167.7730000119.3
595G39.5Very low36.5Very low77 Ų77118.6 Ų118.679%0.79478%0.778SS**  cis166.9167.6-12.300000116
596G41.2Very low37.1Very low64 Ų64117.6 Ų117.666%0.6678%0.777SS**  trans89.5156.9168.800000116.4
597L40.8Very low37.5Very low177 Ų177121.1 Ų121.193%0.92779%0.788SS**  cis-158.4170.4-6.4-74.9179.7000107.5
598A40.6Very low37.7Very low94 Ų94117.2 Ų117.278%0.77779%0.786SS**  cis-176.9143.1-38.600000107.8
599G39.4Very low37.9Very low72 Ų72118 Ų11874%0.74279%0.791SS**  trans-178.484.9-179.100000119.6
600Q40.1Very low38.1Very low182 Ų182116 Ų11685%0.8579%0.79SS**  trans53145.2142.9-51.6-78.144.900121.7
601T35Very low37.9Very low99 Ų99114.6 Ų114.661%0.60779%0.791SS**  cis-170.5156.4-24.9-159.10000110.2
602I37.3Very low38.2Very low161 Ų161114.6 Ų114.683%0.82679%0.785SS**  trans59129167.2-56.6165.3000117.3
603G36.1Very low37.8Very low59 Ų59118.6 Ų118.661%0.60880%0.798SS**  cis156.5152.3-10.100000114.5
604L37Very low37.8Very low184 Ų184119.4 Ų119.496%0.96380%0.796SS**  trans64.1129.7159.2-47.9176.2000118.4
605G36Very low37.5Very low67 Ų67116.5 Ų116.569%0.69179%0.787SS**  cis175.5152.5-800000114.5
606S43.7Very low37.4Very low120 Ų120120.9 Ų120.984%0.83979%0.791SS**  trans43135159.4-58.60000122.8
607P41.4Very low37Very low138 Ų138126.3 Ų126.390%0.89680%0.799SS**  trans-85.1166.2172.737.2-36.3000113.4
608G37Very low36.8Very low79 Ų79121.9 Ų121.981%0.81479%0.788SS**  trans-149.2143.1174.200000113.3
609T35.8Very low36.9Very low140 Ų140123.6 Ų123.686%0.85979%0.788SS**  trans-89.9137.8179.444.70000112.6
610S36.9Very low36.7Very low117 Ų117126.1 Ų126.182%0.81879%0.792SS**  trans169155.3141.240.50000109.8
611G32.7Very low36.7Very low70 Ų70121 Ų12172%0.72279%0.788SS**  trans-102.5158.3-177.100000113
612H39.1Very low36.7Very low170 Ų170122.8 Ų122.879%0.78780%0.798SS**  trans-131110.5170.9-84.9-63.9000112.3
613T29.2Very low37Very low141 Ų141123 Ų12387%0.86580%0.796SS**  trans-72.3116.8154.9-54.80000108.3
614I37.2Very low37.4Very low150 Ų150126.1 Ų126.177%0.76980%0.803SS**  trans-132.7131.7163.5-62.2-177.5000107.5
615A31.7Very low37.8Very low85 Ų85122.7 Ų122.770%0.70279%0.792SS**  trans-117.1134.6-175.300000111.4
616L36.6Very low37.8Very low169 Ų169125.1 Ų125.189%0.88580%0.798SS**  trans-145.4134.3160.9-67.3176.3000107.1
617H33.3Very low37.7Very low178 Ų178124.1 Ų124.182%0.82480%0.797SS**  cis159.4133.1-30.8173.4-139.7000105.2
618A37.8Very low37.5Very low84 Ų84124 Ų12469%0.69479%0.789SS**  trans68.5152.5-174.500000115.1
619V40.6Very low37.6Very low131 Ų131127.2 Ų127.279%0.79479%0.787SS**  cis-139.6141.33.7-176.30000109.3
620P36Very low37.7Very low125 Ų125127.7 Ų127.781%0.81278%0.784SS**  trans-92.7143.9166.135.4-31.7000112.5
621G40.9Very low37.7Very low74 Ų74125.8 Ų125.876%0.76378%0.783SS**  trans-149.8141.3177.900000113.2
622T34.8Very low38Very low136 Ų136131.2 Ų131.283%0.83480%0.795SS**  trans-126.9145.8-17249.20000113
623H43.2Very low37.9Very low167 Ų167126.7 Ų126.777%0.77379%0.794SS**  trans-166.2132.8161.339.6-85.2000106.9
624T43.9Very low38.4Very low123 Ų123124.4 Ų124.476%0.75579%0.789SS**  cis81.5144.930.482.40000113.6
625P45.2Very low38.4Very low113 Ų113124 Ų12473%0.73479%0.793SS**  -141.1-172-88.135.1-13000116.3
626S36.8Very low38.7Very low118 Ų118124.8 Ų124.883%0.82579%0.794SS**  trans81.5108.8148.3-57.80000122.3
627A41.1Very low38.8Very low99 Ų99125 Ų12582%0.81880%0.795SS**  trans-166.5112.7135.100000107.9
628N37Very low39.3Very low135 Ų135121.5 Ų121.572%0.72279%0.788SS**  82.697.253.1-172.223.7000114.5
629L39.9Very low39.4Very low146 Ų146125.7 Ų125.776%0.76480%0.798SS**  -168.5123.1124.4-126.272.8000114.1
630N37Very low39.2Very low150 Ų150125.5 Ų125.580%0.80279%0.793SS**  trans27.4123.8147.6-57.1-18.6000122.8
631G38.2Very low39.2Very low78 Ų78127.8 Ų127.880%0.80479%0.793SS**  trans-171.2103.5159.400000111.3
632L38.5Very low38.9Very low184 Ų184128.7 Ų128.796%0.96379%0.793SS**  trans-86.9132.3-162.7-71.1166.1000115.4
633G37.8Very low38.9Very low75 Ų75129.6 Ų129.677%0.77379%0.791SS**  trans101.5147.1143.600000117.7
634A37.9Very low38.6Very low92 Ų92126.6 Ų126.676%0.7679%0.789SS**  cis-161.9166.1-800000112.9
635V39.2Very low38Very low141 Ų141128.7 Ų128.786%0.85580%0.795SS**  trans68.8124.9166.1-166.10000117.6
636S36.7Very low37.7Very low103 Ų103128 Ų12872%0.7280%0.8SS**  trans-112.7166.2170.5-43.70000110.4
637L38Very low37.5Very low172 Ų172127.9 Ų127.990%0.90180%0.798SS**  178.8140.1119.2-94.4165.8000111.9
638P44.9Very low37.3Very low106 Ų106133.5 Ų133.569%0.68881%0.805SS**  trans-116.2159.8179.340.7-32000114.5
639L40.1Very low37Very low171 Ų171130.5 Ų130.590%0.89581%0.805SS**  trans-173.6115.9149.8-122.559.7000106.9
640N35.9Very low36.8Very low128 Ų128131.5 Ų131.568%0.68481%0.811SS**  94.793.268.1-169.669.8000114.9
641Q36Very low36.5Very low173 Ų173131 Ų13181%0.80881%0.808SS**  trans46.1129.3138.5-58.4-169.90.300123.1
642A34Very low36.3Very low93 Ų93133.1 Ų133.177%0.76981%0.805SS**  trans95.4162.5132.300000121.5
643I36.7Very low36.2Very low154 Ų154131.9 Ų131.979%0.7980%0.799SS**  trans88.484.7172.3-48.1179.2000117
644S36.7Very low36.2Very low104 Ų104134.5 Ų134.573%0.72780%0.8SS**  48.5118.1121.9-49.80000122.5
645N31.3Very low36.1Very low167 Ų167135.2 Ų135.289%0.89380%0.8SS**  trans31.1103.5133.4-59.16.6000119.8
646A38.1Very low36.5Very low100 Ų100134.2 Ų134.283%0.82680%0.796SS**  trans-152.1125.9141.800000110.7
647S32.4Very low36.6Very low114 Ų114137.6 Ų137.680%0.79781%0.805SS**  trans-93.3116.4175.6-540000110.7
648F37.3Very low36.6Very low218 Ų218136 Ų13696%0.95680%0.802SS**  trans-150.9136.2152.3-80.4-65.8000109.4
649G30.5Very low36.5Very low71 Ų71134.4 Ų134.473%0.73281%0.806SS**  trans-122.3148.3170.400000110.3
650L35.9Very low36.3Very low168 Ų168133.9 Ų133.988%0.8880%0.803SS**  trans-163.9153.7146.6-107.5170.3000109.4
651N29.6Very low36.7Very low140 Ų140133 Ų13375%0.74980%0.804SS**  trans-75.5164.7-178.7-43.3-76.6000111.3
652T35.7Very low37.1Very low121 Ų121129.6 Ų129.674%0.74280%0.795SS**  152.2105.3129.3-65.30000114.3
653L36.4Very low37.2Very low158 Ų158132.5 Ų132.583%0.82780%0.798SS**  trans67.3151.3144.9-62.7172.7000124.1
654T37Very low37.3Very low130 Ų130129.7 Ų129.780%0.79880%0.798SS**  trans85.6115.8149-58.60000120.1
655S36.7Very low37.3Very low108 Ų108133 Ų13376%0.75581%0.807SS**  trans-103.2-161.8165-30.90000109.4
656P47.7Very low37.3Very low120 Ų120129.7 Ų129.778%0.77980%0.796SS**  cis-128.2-177.5-26.639.2-24.1000112.3
657L37.4Very low37.5Very low173 Ų173133.5 Ų133.591%0.90680%0.797SS**  trans-151.8162.8152.7-154.154.2000113.2
658T38.4Very low37.9Very low138 Ų138135.8 Ų135.885%0.84780%0.799SS**  trans-109.9156.6-161.345.70000115.4
659G41.9Very low38Very low74 Ų74135.8 Ų135.876%0.76379%0.794SS**  trans-169.5120.3165.700000114.4
660L35.8Very low38.5Very low160 Ų160137.9 Ų137.984%0.83880%0.795SS**  trans-106.9177.3170.2-110.687.5000108.9
661P45.2Very low38.9Very low108 Ų108135.3 Ų135.370%0.70179%0.791SS**  cis-153.4166.13545.6-24.1000121.3
662T43.9Very low39.5Very low102 Ų102135.1 Ų135.163%0.62680%0.795SS**  trans20.5129.3144.961.90000125.3
663D35.8Very low39.8Very low155 Ų155134.9 Ų134.983%0.82980%0.795SS**  60.4126124.9-60.9-64.8000124.6
664A40.2Very low39.7Very low95 Ų95133.4 Ų133.479%0.78579%0.793SS**  trans-160.9161.2142.500000112.3
665L36.3Very low39.7Very low174 Ų174137.9 Ų137.991%0.91180%0.797SS**  trans70.576.3166.4-68.8164.6000118.7
666S32.2Very low39.6Very low97 Ų97135.7 Ų135.768%0.67879%0.791SS**  trans-72.8-173.6154.4-40.50000112.7
667H40.7Very low39Very low179 Ų179138.5 Ų138.583%0.82980%0.798SS**  trans86.5100.1167.2-47.8-77000118.1
668L41.3Very low39Very low162 Ų162135.8 Ų135.885%0.84879%0.794SS**SBend-169.7149.9117.9-99.7159.8000110.6
669Y38.7Very low38.4Very low219 Ų219139 Ų13986%0.85979%0.792SS**  trans62.7109.1179.9-79.4-83.7000119.4
670P42.4Very low38.3Very low114 Ų114141.2 Ų141.274%0.7479%0.793SS**  trans-113.4-171.6176.142.5-34.1000114.5
671S42.9Very low38.3Very low115 Ų115138.3 Ų138.380%0.80479%0.786SS**  trans78.1141.3-179.577.80000115.1
672V42.5Very low37.9Very low136 Ų136138.8 Ų138.882%0.82479%0.789SS**  cis-124.3-17512.1-126.30000111.2
673P42Very low37.4Very low115 Ų115140.5 Ų140.575%0.74780%0.799SS**  -107.8167.7-128.341.8-31.6000117.5
674T35.4Very low37.3Very low127 Ų127139 Ų13978%0.77980%0.796SS**  trans-100.3142.1-176.4-52.20000114.1
675Y37.4Very low36.8Very low225 Ų225140.3 Ų140.388%0.88280%0.8SS**  trans-122.4132.6142.6-62.2-91.3000105
676G33.1Very low36.8Very low62 Ų62136.8 Ų136.864%0.63980%0.795SS**  cis93.7108.54400000107.1
677L36.3Very low37.1Very low178 Ų178140.1 Ų140.193%0.93281%0.805SS**  -150.5147.451.5-70.3164.1000115.2
678S37.1Very low36.8Very low117 Ų117136.4 Ų136.482%0.81879%0.791SS**  trans31.4126.4149.9-143.20000124.1
679Y26.6Very low37Very low204 Ų204132.6 Ų132.680%0.878%0.776SS**  trans-75.1163.2149.8-85.4-105.6000111.3
680P38.5Very low37Very low122 Ų122128.8 Ų128.879%0.79276%0.764SS**  -132.8132.181.333-17.7000113
681S35.8Very low37.1Very low98 Ų98125.9 Ų125.969%0.68575%0.75SS**  75.8142.377.9-66.70000115.4
682P38.2Very low37.3Very low118 Ų118124.2 Ų124.277%0.76674%0.735SS**  trans-121.7156.5-140.540.1-28.3000116.4
683V32.9Very low37.3Very low138 Ų138122.7 Ų122.784%0.83672%0.72SS**  trans-154.7143.6158.9-94.20000112.4
684T32.6Very low37.4Very low124 Ų124120 Ų12076%0.76171%0.707SS**  trans62.1101.1150.8-50.50000120.2
685S29.8Very low38Very low123 Ų123120.5 Ų120.586%0.8670%0.701SS**  trans46.380.7132.4-48.60000119.5
686A37Very low38.5Very low99 Ų99115.2 Ų115.282%0.81868%0.684SS**  trans-106.2134.1152.200000109.8N688A686-N688 PolarHBondContact O-N 3.08Å
687L37.9Very low39.2Very low167 Ų167115.2 Ų115.287%0.87468%0.678SS**  trans-62.4130.8177-76.6147.7000110.1P689L687-P689 VanDerWaalsContact O-CD 3.31Å; L687-P689 WeakPolarHBondContact O-CD 3.43Å
688N35Very low39.7Very low101 Ų101113.9 Ų113.954%0.5467%0.671SS.*  trans-67.8114.2-175.6-168.70.8000110.3A686 F690 A691A686-N688 PolarHBondContact O-N 3.08Å; N688-F690 PolarHBondContact O-N 3.38Å; N688-A691 WeakPolarHBondContact O-CB 3.46Å; N688-A691 PolarHBondContact O-N 3.34Å
689P44.6Very low40.6Very low83 Ų83113.6 Ų113.654%0.53966%0.664SS.*Hα-helixtrans-63.6-19.3-173.424.7-34.4000113.4L687 A691 T692 M693L687-P689 VanDerWaalsContact O-CD 3.31Å; L687-P689 WeakPolarHBondContact O-CD 3.43Å; P689-A691 VanDerWaalsContact C-N 3.31Å; P689-A691 PolarHBondContact O-N 3.44Å; P689-T692 PolarHBondContact O-N 2.99Å; P689-M693 PolarHBondContact O-N 3.25Å
690F38.7Very low41.1Very low138 Ų138107.3 Ų107.361%0.60564%0.643SS**Hα-helixtrans-60.7-35.2169.7-79.6-90.9000113.4N688 T692 M693 A694N688-F690 PolarHBondContact O-N 3.38Å; F690-T692 VanDerWaalsContact C-N 3.29Å; F690-T692 PolarHBondContact O-N 2.9Å; F690-M693 PolarHBondContact O-N 3.04Å; F690-A694 PolarHBondContact O-N 2.81Å; F690-A694 VanDerWaalsContact O-N 3.08Å
691A44.8Very low41.2Very low54 Ų54107 Ų10745%0.44664%0.641SS.*Hα-helixtrans-68.1-30.5177.800000112.3N688 P689 H695N688-A691 WeakPolarHBondContact O-CB 3.46Å; N688-A691 PolarHBondContact O-N 3.34Å; P689-A691 VanDerWaalsContact C-N 3.31Å; P689-A691 PolarHBondContact O-N 3.44Å; A691-H695 PolarHBondContact O-N 2.63Å; A691-H695 PolarHBondContact O-ND1 3.31Å
692T47.5Very low41.6Very low79 Ų79108.6 Ų108.649%0.48564%0.641SS.*Hα-helixtrans-72.8-42.7175-520000111.6P689 F690 A694 H695 Q696P689-T692 PolarHBondContact O-N 2.99Å; F690-T692 VanDerWaalsContact C-N 3.29Å; F690-T692 PolarHBondContact O-N 2.9Å; T692-A694 PolarHBondContact O-N 3.37Å; T692-H695 PolarHBondContact O-N 3.12Å; T692-Q696 WeakPolarHBondContact O-CG 3.28Å; T692-Q696 PolarHBondContact O-N 2.93Å
693M42.4Very low41.8Very low104 Ų104110 Ų11051%0.51264%0.637SS.*Hα-helixtrans-64.7-37175.9-79.9-176.5-74.800112.7P689 F690 H695 Q696 A697P689-M693 PolarHBondContact O-N 3.25Å; F690-M693 PolarHBondContact O-N 3.04Å; M693-H695 VanDerWaalsContact C-N 3.33Å; M693-H695 PolarHBondContact O-N 3Å; M693-Q696 PolarHBondContact O-N 3.35Å; M693-Q696 VanDerWaalsContact O-N 3.15Å; M693-A697 PolarHBondContact O-N 3.41Å
694A44.3Very low42.1Very low58 Ų58111 Ų11148%0.47963%0.632SS.*Hα-helixtrans-60.4-40.4173.500000112.5F690 T692F690-A694 PolarHBondContact O-N 2.81Å; F690-A694 VanDerWaalsContact O-N 3.08Å; T692-A694 PolarHBondContact O-N 3.37Å
695H47.1Very low42.6Very low138 Ų138111.2 Ų111.264%0.63962%0.623SS**Hα-helixtrans-71.3-30.9173.6-77.581.7000113.1A691 T692 M693 L698A691-H695 PolarHBondContact O-N 2.63Å; A691-H695 PolarHBondContact O-ND1 3.31Å; T692-H695 PolarHBondContact O-N 3.12Å; M693-H695 VanDerWaalsContact C-N 3.33Å; M693-H695 PolarHBondContact O-N 3Å; H695-L698 PolarHBondContact O-N 2.86Å
696Q49.3Very low43.1Very low115 Ų115114.3 Ų114.354%0.53762%0.624SS.*Hα-helixtrans-69.8-33.3175-75.6177.2-25.800112.7T692 M693 L698 T699T692-Q696 WeakPolarHBondContact O-CG 3.28Å; T692-Q696 PolarHBondContact O-N 2.93Å; M693-Q696 PolarHBondContact O-N 3.35Å; M693-Q696 VanDerWaalsContact O-N 3.15Å; Q696-L698 VanDerWaalsContact C-N 3.25Å; Q696-L698 PolarHBondContact O-N 3.1Å; Q696-T699 WeakPolarHBondContact O-CG2 3.48Å; Q696-T699 PolarHBondContact O-N 3.27Å
697A47.1Very low43.5Very low62 Ų62113.9 Ų113.951%0.51263%0.629SS.*Hα-helixtrans-61-35.6172.100000112.2M693 T699M693-A697 PolarHBondContact O-N 3.41Å; A697-T699 VanDerWaalsContact C-N 3.29Å; A697-T699 PolarHBondContact O-N 2.99Å
698L47Very low43.8Very low150 Ų150108.2 Ų108.279%0.78560%0.601SS**THydrogen-bonded Turntrans-75.4-8.5179.8-66173.2000114.7H695 Q696H695-L698 PolarHBondContact O-N 2.86Å; Q696-L698 VanDerWaalsContact C-N 3.25Å; Q696-L698 PolarHBondContact O-N 3.1Å
699T54.6Low44.3Very low110 Ų110111.1 Ų111.168%0.67561%0.609SS**THydrogen-bonded Turntrans-107.77.7175.8-168.70000113.9Q696 A697Q696-T699 WeakPolarHBondContact O-CG2 3.48Å; Q696-T699 PolarHBondContact O-N 3.27Å; A697-T699 VanDerWaalsContact C-N 3.29Å; A697-T699 PolarHBondContact O-N 2.99Å
700M38.9Very low44.1Very low73 Ų73110.2 Ų110.236%0.3660%0.6SS.*SBendtrans-69.5139175.7-63.8-148.5-56.900111.2I702 L713M700-I702 PolarHBondContact O-N 2.7Å; M700-I702 VanDerWaalsContact O-N 3.09Å; M700-L713 HydrophobicContact CE-CD2 3.69Å
701P39.9Very low44.3Very low114 Ų114109.5 Ų109.574%0.7460%0.602SS**  trans-68.4109.8-178.827.3-34000110.8Q703P701-Q703 PolarHBondContact O-N 2.78Å
702I43.1Very low44.4Very low133 Ų133111.3 Ų111.368%0.68260%0.603SS**  trans-72.395.7177.9-54.8176.4000108.9M700 Q704M700-I702 PolarHBondContact O-N 2.7Å; M700-I702 VanDerWaalsContact O-N 3.09Å; I702-Q704 VanDerWaalsContact C-N 3.28Å; I702-Q704 PolarHBondContact O-N 2.69Å
703Q42.8Very low44.1Very low146 Ų146113.5 Ų113.568%0.68261%0.611SS**  trans-73.882.2169.5-75.8-75.41200109.5P701 K705P701-Q703 PolarHBondContact O-N 2.78Å; Q703-K705 PolarHBondContact O-N 2.74Å; Q703-K705 VanDerWaalsContact O-N 3.09Å
704Q38.9Very low44.5Very low159 Ų159112.8 Ų112.874%0.74361%0.612SS**  trans-69.5103.8174.4-173.9174.46.800109.5I702 E706I702-Q704 VanDerWaalsContact C-N 3.28Å; I702-Q704 PolarHBondContact O-N 2.69Å; Q704-E706 PolarHBondContact O-N 2.86Å; Q704-E706 VanDerWaalsContact O-N 3.17Å
705K43.5Very low44.8Very low129 Ų129111.6 Ų111.656%0.56160%0.603SS**  trans-71.2110.8178.2-174.4-172.4172.7-162.30110.1Q703 G707 T708Q703-K705 PolarHBondContact O-N 2.74Å; Q703-K705 VanDerWaalsContact O-N 3.09Å; K705-G707 PolarHBondContact O-N 3.24Å; K705-T708 PolarHBondContact O-N 3.27Å
706E40.9Very low45.1Very low189 Ų189111.4 Ų111.488%0.88361%0.606SS**THydrogen-bonded Turntrans-39.7129.2177.2-148.494.6-125.300112Q704 T708Q704-E706 PolarHBondContact O-N 2.86Å; Q704-E706 VanDerWaalsContact O-N 3.17Å; E706-T708 VanDerWaalsContact C-N 3.32Å; E706-T708 PolarHBondContact O-N 2.9Å
707G45.1Very low45.3Very low90 Ų90113.8 Ų113.893%0.92862%0.623SS**THydrogen-bonded Turntrans75.82.9178.200000117.1K705K705-G707 PolarHBondContact O-N 3.24Å
708T44.3Very low45.7Very low47 Ų47114.5 Ų114.529%0.28862%0.618SS.*  trans-117.2141.7177.7-34.10000111.1K705 E706 D710K705-T708 PolarHBondContact O-N 3.27Å; E706-T708 VanDerWaalsContact C-N 3.32Å; E706-T708 PolarHBondContact O-N 2.9Å; T708-D710 HydrophobicContact CG2-CB 3.94Å; T708-D710 VanDerWaalsContact CG2-OD2 3.23Å; T708-D710 WeakPolarHBondContact CG2-OD2 3.27Å; T708-D710 PolarHBondContact O-N 2.69Å
709K45.8Very low46.3Very low163 Ų163111.1 Ų111.171%0.70960%0.603SS**  trans-76.7-8172.9-78.2-166.2-179.6-172.60113.4N754K709-N754 PolarHBondContact NZ-OD1 2.86Å
710D40.3Very low46.6Very low64 Ų64112.3 Ų112.334%0.34261%0.606SS.*  trans-80.4124.3-168.5-56.5-23.7000112.3T708T708-D710 HydrophobicContact CG2-CB 3.94Å; T708-D710 VanDerWaalsContact CG2-OD2 3.23Å; T708-D710 WeakPolarHBondContact CG2-OD2 3.27Å; T708-D710 PolarHBondContact O-N 2.69Å
711L41.7Very low47.7Very low123 Ų123113.6 Ų113.664%0.64461%0.614SS**  trans-81.1114.4166.8-99.368.6000110
712I48.4Very low48.6Very low91 Ų91112.8 Ų112.847%0.46760%0.6SS.*  trans-94.3108.6177.2-56.5177.6000109.6T714I712-T714 PolarHBondContact O-N 2.76Å
713L40.7Very low49.1Very low126 Ų126110.5 Ų110.566%0.6658%0.583SS**  trans-92.184.9176.2-76165.4000111.1M700 A715M700-L713 HydrophobicContact CE-CD2 3.69Å; L713-A715 PolarHBondContact O-N 3.02Å
714T51.2Low49.8Very low88 Ų88106.1 Ų106.154%0.5457%0.571SS.*  trans-74.785.3179.7-48.20000112.1I712 N716I712-T714 PolarHBondContact O-N 2.76Å; T714-N716 PolarHBondContact O-N 3.14Å
715A51.1Low50.5Low34 Ų34106.1 Ų106.128%0.28157%0.565SS.*  trans-87.595.3176.900000112.2L713 L718L713-A715 PolarHBondContact O-N 3.02Å; A715-L718 HydrophobicContact CB-CD1 3.71Å; A715-L718 HydrophobicContact CB-CG 4.33Å
716N52.5Low50.9Low133 Ų133101.8 Ų101.871%0.71156%0.556SS**THydrogen-bonded Turntrans-73.3147.9174.7-63.6-21.4000111.6T714 L718T714-N716 PolarHBondContact O-N 3.14Å; N716-L718 PolarHBondContact O-N 3.43Å
717N53.5Low51.2Low166 Ų16697 Ų9789%0.88854%0.535SS*.THydrogen-bonded Turntrans58.927172.7-69-17.2000117.6
718L54.4Low51.4Low77 Ų77100.1 Ų100.140%0.40353%0.526SS..  trans-85.6128.4162.6-65.8178.9000110.7A715 N716 Q722 R723A715-L718 HydrophobicContact CB-CD1 3.71Å; A715-L718 HydrophobicContact CB-CG 4.33Å; N716-L718 PolarHBondContact O-N 3.43Å; L718-Q722 HydrophobicContact CB-CB 4.36Å; L718-Q722 HydrophobicContact CD2-CB 4.06Å; L718-R723 HydrophobicContact CB-CB 4.45Å; L718-R723 HydrophobicContact CB-CG 4.46Å
719T60.5Low51.6Low79 Ų79102.1 Ų102.149%0.48554%0.541SS..  trans-64.8157165.660.20000110.6D721 Q722 R723T719-D721 PolarHBondContact O-N 3.31Å; T719-D721 VanDerWaalsContact O-N 3.17Å; T719-Q722 PolarHBondContact O-N 2.86Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.36Å; T719-Q722 PolarHBondContact OG1-N 2.86Å; T719-Q722 PolarHBondContact OG1-OE1 3.39Å; T719-R723 PolarHBondContact O-N 3.31Å
720N60.6Low51.2Low135 Ų135101.7 Ų101.772%0.72254%0.54SS*.Hα-helixtrans-54.9-36.4179.6-71.5-25.1000113R723 A724N720-R723 PolarHBondContact O-N 3.32Å; N720-A724 WeakPolarHBondContact O-CB 3.43Å; N720-A724 PolarHBondContact O-N 3.12Å
721D62.2Low51.1Low99 Ų99107.9 Ų107.953%0.52957%0.566SS.*Hα-helixtrans-64-46.9176.1-158.1-87.4000111.6T719 R723 A724 R725T719-D721 PolarHBondContact O-N 3.31Å; T719-D721 VanDerWaalsContact O-N 3.17Å; D721-R723 PolarHBondContact O-N 3.5Å; D721-A724 PolarHBondContact O-N 3.12Å; D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 VanDerWaalsContact O-CG 3.27Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.02Å; D721-R725 WeakPolarHBondContact OD1-CD 3.34Å; D721-R725 IonicContact OD1-NH1 3.47Å; D721-R725 PolarHBondContact OD1-NH1 3.39Å
722Q58.8Low51.1Low97 Ų97107.7 Ų107.745%0.45357%0.565SS.*Hα-helixtrans-65.8-37174.6-67.3165.9-54.600112.3L718 T719 R725 G726L718-Q722 HydrophobicContact CB-CB 4.36Å; L718-Q722 HydrophobicContact CD2-CB 4.06Å; T719-Q722 PolarHBondContact O-N 2.86Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.36Å; T719-Q722 PolarHBondContact OG1-N 2.86Å; T719-Q722 PolarHBondContact OG1-OE1 3.39Å; Q722-R725 PolarHBondContact O-N 3.16Å; Q722-G726 PolarHBondContact O-N 3.08Å
723R54.9Low50.6Low86 Ų86107.6 Ų107.633%0.32557%0.57SS.*Hα-helixtrans-63.9-42.3177.3-139.8172.8-173.1174.12.9110.3L718 T719 N720 D721 M727 D746L718-R723 HydrophobicContact CB-CB 4.45Å; L718-R723 HydrophobicContact CB-CG 4.46Å; T719-R723 PolarHBondContact O-N 3.31Å; N720-R723 PolarHBondContact O-N 3.32Å; D721-R723 PolarHBondContact O-N 3.5Å; R723-M727 PolarHBondContact O-N 3.15Å; R723-D746 IonicContact NH1-OD1 3.66Å; R723-D746 IonicContact NH2-OD1 3.84Å; R723-D746 PolarHBondContact NH2-OD1 3.23Å
724A56.2Low50.5Low53 Ų53108.3 Ų108.344%0.43858%0.582SS.*Hα-helixtrans-67.3-45174.700000112.9N720 D721 G726 M727 Q728N720-A724 WeakPolarHBondContact O-CB 3.43Å; N720-A724 PolarHBondContact O-N 3.12Å; D721-A724 PolarHBondContact O-N 3.12Å; A724-G726 PolarHBondContact O-N 3.38Å; A724-M727 PolarHBondContact O-N 3.1Å; A724-Q728 PolarHBondContact O-N 3.37Å; A724-Q728 VanDerWaalsContact O-N 3.12Å
725R53.2Low50.1Low160 Ų160108.8 Ų108.860%0.60459%0.585SS**Hα-helixtrans-71.4-28.8-179.2-67.7171.372.7172.84.6113.1D721 Q722 Q728 S729D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 VanDerWaalsContact O-CG 3.27Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.02Å; D721-R725 WeakPolarHBondContact OD1-CD 3.34Å; D721-R725 IonicContact OD1-NH1 3.47Å; D721-R725 PolarHBondContact OD1-NH1 3.39Å; Q722-R725 PolarHBondContact O-N 3.16Å; R725-Q728 PolarHBondContact O-N 3.35Å; R725-S729 PolarHBondContact O-OG 3.43Å
726G52.8Low49.5Very low37 Ų37114 Ų11438%0.38161%0.613SS.*Hα-helixtrans-61.9-43.5167.800000112.1Q722 A724 S729Q722-G726 PolarHBondContact O-N 3.08Å; A724-G726 PolarHBondContact O-N 3.38Å; G726-S729 WeakPolarHBondContact O-CB 3.27Å; G726-S729 PolarHBondContact O-N 3.02Å
727M46.2Very low48.7Very low88 Ų88110 Ų11043%0.43360%0.603SS.*Hα-helixtrans-67-35.2176.9-73.1-173.916300113.1R723 A724 S729 F730 Y748R723-M727 PolarHBondContact O-N 3.15Å; A724-M727 PolarHBondContact O-N 3.1Å; M727-S729 PolarHBondContact O-N 3.5Å; M727-S729 VanDerWaalsContact O-N 3.15Å; M727-F730 PolarHBondContact O-N 3.13Å; M727-Y748 HydrophobicContact CE-CD1 4.39Å
728Q50.3Low48Very low157 Ų157109.2 Ų109.273%0.73460%0.598SS**THydrogen-bonded Turntrans-63.8-14.5174-72.9-179.8-13.100114.4A724 R725 F730A724-Q728 PolarHBondContact O-N 3.37Å; A724-Q728 VanDerWaalsContact O-N 3.12Å; R725-Q728 PolarHBondContact O-N 3.35Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.48Å
729S47.5Very low47.1Very low88 Ų88115 Ų11562%0.61561%0.614SS**THydrogen-bonded Turntrans-77.9-13.9179.2-58.20000113.3R725 G726 M727 H731R725-S729 PolarHBondContact O-OG 3.43Å; G726-S729 WeakPolarHBondContact O-CB 3.27Å; G726-S729 PolarHBondContact O-N 3.02Å; M727-S729 PolarHBondContact O-N 3.5Å; M727-S729 VanDerWaalsContact O-N 3.15Å; S729-H731 PolarHBondContact O-N 3.43Å
730F38.9Very low46Very low155 Ų155121.4 Ų121.468%0.6863%0.63SS**  trans-88.385.1173.3-75.2-86.3000110.5M727 Q728 I732M727-F730 PolarHBondContact O-N 3.13Å; Q728-F730 VanDerWaalsContact C-N 3.3Å; Q728-F730 PolarHBondContact O-N 3.48Å; F730-I732 HydrophobicContact CB-CD1 4.29Å; F730-I732 HydrophobicContact CB-CG1 4.35Å; F730-I732 HydrophobicContact CD1-CD1 4.32Å; F730-I732 PolarHBondContact O-N 3.26Å
731H37.7Very low45Very low193 Ų193119.6 Ų119.689%0.89463%0.625SS**  trans-74.365.3173.4-166.8-106.1000111.3S729S729-H731 PolarHBondContact O-N 3.43Å
732I41Very low43.7Very low120 Ų120124.5 Ų124.562%0.61564%0.636SS**  trans-92.6131.5171.5-58.5174.6000106.8F730F730-I732 HydrophobicContact CB-CD1 4.29Å; F730-I732 HydrophobicContact CB-CG1 4.35Å; F730-I732 HydrophobicContact CD1-CD1 4.32Å; F730-I732 PolarHBondContact O-N 3.26Å
733P38Very low42.9Very low89 Ų89128 Ų12858%0.57866%0.656SS**  trans-60.5148.9179.425.4-34.6000111.4T735P733-T735 PolarHBondContact O-N 3.49Å
734P39.3Very low42.3Very low140 Ų140126.1 Ų126.191%0.90966%0.664SS**  trans-77.756.2-173.133-37.4000113.3T736P734-T736 PolarHBondContact O-N 3.38Å
735T42.1Very low41.7Very low98 Ų98128.5 Ų128.560%0.60168%0.678SS**  trans-83.6109.5171.152.50000110.4P733 G737P733-T735 PolarHBondContact O-N 3.49Å; T735-G737 PolarHBondContact O-N 3.45Å; T735-G737 VanDerWaalsContact O-N 3.17Å
736T39.6Very low41Very low143 Ų143127 Ų12788%0.87768%0.682SS**SBendtrans50.743.6156.249.40000117.8P734P734-T736 PolarHBondContact O-N 3.38Å
737G35.3Very low40.3Very low49 Ų49130.5 Ų130.551%0.50570%0.695SS.*  trans-120111.8171.400000113.7T735 W739T735-G737 PolarHBondContact O-N 3.45Å; T735-G737 VanDerWaalsContact O-N 3.17Å; G737-W739 PolarHBondContact O-N 3.38Å; G737-W739 VanDerWaalsContact O-N 3.16Å
738I38.9Very low40Very low151 Ų151130.9 Ų130.977%0.77469%0.693SS**  trans-80.494.8175.4-55.8179.4000110.2R740I738-R740 HydrophobicContact CG2-CG 4.13Å; I738-R740 PolarHBondContact O-N 3.19Å
739W34.5Very low39.6Very low197 Ų197126.1 Ų126.175%0.74668%0.68SS**  trans-77.4111173.4-68.888.3000111.3G737G737-W739 PolarHBondContact O-N 3.38Å; G737-W739 VanDerWaalsContact O-N 3.16Å
740R38.2Very low39.3Very low215 Ų215128 Ų12881%0.81168%0.682SS**  trans-116115.4168.7-69-172-173.8-103.53.5110.6I738 R742I738-R740 HydrophobicContact CG2-CG 4.13Å; I738-R740 PolarHBondContact O-N 3.19Å; R740-R742 PolarHBondContact O-N 3.31Å
741P39.3Very low39.1Very low97 Ų97129.8 Ų129.863%0.6368%0.684SS**PPolyproline II helixtrans-71118.6170.528.8-32.2000109.6Y748P741-Y748 WeakPolarHBondContact CA-OH 3.47Å; P741-Y748 HydrophobicContact CB-CE1 3.88Å; P741-Y748 WeakPolarHBondContact CB-OH 3.37Å
742R34.4Very low39Very low201 Ų201126.1 Ų126.176%0.75867%0.671SS**PPolyproline II helixtrans-88.4116.8169.6-157.4-166.3-64.3-1098.2108.5R740 G744 Y748R740-R742 PolarHBondContact O-N 3.31Å; R742-G744 PolarHBondContact O-N 2.92Å; R742-Y748 PolarHBondContact N-OH 3.21Å; R742-Y748 WeakPolarHBondContact O-CE2 3.36Å; R742-Y748 PolarHBondContact O-OH 3.22Å
743I42.3Very low39Very low170 Ų170122.9 Ų122.987%0.87266%0.659SS**PPolyproline II helixtrans-77117.3174.5-59.3174.4000107.6
744G42.8Very low39.2Very low47 Ų47123.7 Ų123.749%0.48566%0.659SS.*SBendtrans121.6129.5-178.100000113.4R742R742-G744 PolarHBondContact O-N 2.92Å
745S44.2Very low39.2Very low104 Ų104125.7 Ų125.773%0.72766%0.656SS**SBendtrans48.979.9169600000117.5V747S745-V747 VanDerWaalsContact C-N 3.32Å; S745-V747 PolarHBondContact O-N 3.28Å
746D38.2Very low39Very low129 Ų129129.1 Ų129.169%0.6968%0.682SS**SBendtrans36.533.8142.2-64.7-56.2000122R723R723-D746 IonicContact NH1-OD1 3.66Å; R723-D746 IonicContact NH2-OD1 3.84Å; R723-D746 PolarHBondContact NH2-OD1 3.23Å
747V37.8Very low39Very low109 Ų109128.4 Ų128.466%0.66167%0.672SS**  trans-128114.1164.9-174.10000110.3S745S745-V747 VanDerWaalsContact C-N 3.32Å; S745-V747 PolarHBondContact O-N 3.28Å
748Y39.2Very low39.2Very low97 Ų97132.6 Ų132.638%0.3868%0.681SS.*  trans-135.9143.9177-89.7-104.7000110.2M727 P741 R742M727-Y748 HydrophobicContact CE-CD1 4.39Å; P741-Y748 WeakPolarHBondContact CA-OH 3.47Å; P741-Y748 HydrophobicContact CB-CE1 3.88Å; P741-Y748 WeakPolarHBondContact CB-OH 3.37Å; R742-Y748 PolarHBondContact N-OH 3.21Å; R742-Y748 WeakPolarHBondContact O-CE2 3.36Å; R742-Y748 PolarHBondContact O-OH 3.22Å
749A42.6Very low39.2Very low57 Ų57131.6 Ų131.647%0.47168%0.675SS.*  trans64.1112.6-17000000114.9
750I40.4Very low39.5Very low127 Ų127127.7 Ų127.765%0.65167%0.671SS**  trans-111.8117.7158.8-61.6172.6000105.2
751W34.7Very low39.6Very low193 Ų193122.3 Ų122.373%0.73166%0.662SS**  trans-101.8110.8177.3-179.360.4000110.1S753W751-S753 WeakPolarHBondContact CH2-OG 3.44Å; W751-S753 PolarHBondContact O-N 3.34Å
752N36.1Very low39.6Very low116 Ų116123.9 Ų123.962%0.6267%0.665SS**  trans-94.696.3-180-171.1-5.8000110.7N754N752-N754 PolarHBondContact O-N 3.09Å; N752-N754 WeakPolarHBondContact OD1-CB 3.46Å; N752-N754 VanDerWaalsContact OD1-CG 3.22Å; N752-N754 PolarHBondContact OD1-N 3.09Å; N752-N754 PolarHBondContact OD1-ND2 3.49Å
753S41.1Very low39.9Very low51 Ų51118.4 Ų118.436%0.35766%0.658SS.*  trans-72.222.1-178.5-173.50000115W751 Q755W751-S753 WeakPolarHBondContact CH2-OG 3.44Å; W751-S753 PolarHBondContact O-N 3.34Å; S753-Q755 VanDerWaalsContact C-N 3.28Å; S753-Q755 PolarHBondContact O-N 3.38Å
754N42.3Very low39.8Very low107 Ų107114.5 Ų114.557%0.57264%0.641SS**  trans-85.417.5-175.3-76.8-0.1000114.5K709 N752K709-N754 PolarHBondContact NZ-OD1 2.86Å; N752-N754 PolarHBondContact O-N 3.09Å; N752-N754 WeakPolarHBondContact OD1-CB 3.46Å; N752-N754 VanDerWaalsContact OD1-CG 3.22Å; N752-N754 PolarHBondContact OD1-N 3.09Å; N752-N754 PolarHBondContact OD1-ND2 3.49Å
755Q38.7Very low39.5Very low182 Ų182120.1 Ų120.185%0.8565%0.654SS**  trans-131.996.6163.8-71.5-144.387.800110.2S753S753-Q755 VanDerWaalsContact C-N 3.28Å; S753-Q755 PolarHBondContact O-N 3.38Å
756C38.8Very low39.1Very low169 Ų169121.5 Ų121.5100%1.14265%0.648SS**  trans-145.70167-74.30000107.3

Retrieved 756 of 756 residues in 652.1 ms (Link to these results)