A0A087XTY7_POEFO Loading...

PR domain containing 2, with ZNF domain a

AlphaFold DB , UniProt , Accession A0A087XTY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,130 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
1H25.5Very low30.8Very low239 Ų239151.1 Ų151.1100%1.10682%0.822SS**  0153.20-76.5-98.4000109.8
2P32.4Very low30.6Very low108 Ų108148.3 Ų148.370%0.70182%0.822SS**  cis-123.4130.2-40.930.1-13.7000110.8
3C29.1Very low30.8Very low122 Ų122149.2 Ų149.282%0.82482%0.82SS**  57.4115.189.9-63.60000116.6
4K30.5Very low30.9Very low185 Ų185149.4 Ų149.480%0.80482%0.819SS**  -160.3158.7109.1-102.6177.3-175.1-171.50111.3H448K4-H448 PolarHBondContact NZ-O 2.83Å
5S30.3Very low31Very low111 Ų111155.9 Ų155.978%0.77683%0.827SS**  trans-131.1-160.3-168.262.90000109.3
6P44Very low31Very low106 Ų106158.3 Ų158.369%0.68883%0.831SS**  cis-131.2174.8-20.438.7-23.3000113.6
7E30.1Very low31.3Very low195 Ų195160.3 Ų160.391%0.91184%0.835SS**  trans-105.6159.4156.7-79.9-155.9130.500112.2
8K29.5Very low31.6Very low197 Ų197161.9 Ų161.986%0.85784%0.838SS**  trans-113.2114.5-176.2-66.2178.5-180178.20111.3
9I30.7Very low31.8Very low164 Ų164164.2 Ų164.284%0.84184%0.844SS**  trans-84.8128163.8-62.4176.8000108.3
10S27.8Very low31.6Very low104 Ų104160 Ų16073%0.72784%0.843SS**  trans-104102.2179.650.80000111.4S12S10-S12 VanDerWaalsContact C-N 3.35Å; S10-S12 PolarHBondContact O-N 3.4Å
11T29Very low31.7Very low131 Ų131163.8 Ų163.880%0.80485%0.846SS**  trans-74.782.7173.835.70000111M13T11-M13 PolarHBondContact O-N 2.83Å; T11-M13 VanDerWaalsContact O-N 3.13Å
12S29Very low31.9Very low118 Ų118159.5 Ų159.583%0.82583%0.83SS**  trans-82.480.1176.350.60000112.3S10S10-S12 VanDerWaalsContact C-N 3.35Å; S10-S12 PolarHBondContact O-N 3.4Å
13M32.3Very low32Very low160 Ų160159.7 Ų159.779%0.78883%0.831SS**  trans-92.7158.2169-74.5-114.259.300112T11T11-M13 PolarHBondContact O-N 2.83Å; T11-M13 VanDerWaalsContact O-N 3.13Å
14N32.2Very low32.1Very low152 Ų152161.4 Ų161.481%0.81383%0.832SS**  trans60.376.9175.4-67.4-12.3000117.2
15R32.6Very low32Very low247 Ų247155.7 Ų155.793%0.93283%0.826SS**  trans-149.659.5150.4-149.5179.9-170.9-159.31.5115.5
16Q31.8Very low32.2Very low193 Ų193159.5 Ų159.590%0.90283%0.831SS**  trans-149.1114.8165.7-109166.8-4.200110
17H35.4Very low31.5Very low193 Ų193162.3 Ų162.389%0.89484%0.84SS**  trans-153.244.3170.2-149.6-72.9000111.5
18E37Very low31.5Very low189 Ų189160.9 Ų160.988%0.88383%0.833SS**SBendtrans-157.864.6176.1-149.7178.6-158.500111.8
19E34.8Very low31.8Very low206 Ų206156.9 Ų156.996%0.96383%0.827SS**  trans-168.7132.2151-112.3167.8-176.200110
20G28.4Very low31.5Very low80 Ų80154.8 Ų154.883%0.82582%0.822SS**  trans-170.737.3-167.300000114.5
21R33Very low31.5Very low240 Ų240156.3 Ų156.391%0.90683%0.827SS**  trans-116.182.6174.7-164.7-179.6-155.6157.710109.6P23R21-P23 WeakPolarHBondContact O-CD 3.32Å
22I30Very low31.5Very low148 Ų148158.4 Ų158.476%0.75983%0.825SS**  trans-64.3130.2180-62.8174.9000109.4
23P34.8Very low31.5Very low112 Ų112161.3 Ų161.373%0.72783%0.825SS**  trans-88.5125161.332.9-27.2000109.5R21 G25R21-P23 WeakPolarHBondContact O-CD 3.32Å; P23-G25 PolarHBondContact O-N 3.38Å; P23-G25 VanDerWaalsContact O-N 3.12Å
24D30.3Very low31.3Very low158 Ų158160.8 Ų160.885%0.84583%0.826SS**  trans-61.6115.5175.9-69-33.9000110.9
25G30.1Very low31.2Very low66 Ų66158.4 Ų158.468%0.6883%0.827SS**  trans-128.194.3174.700000109.2P23 L27P23-G25 PolarHBondContact O-N 3.38Å; P23-G25 VanDerWaalsContact O-N 3.12Å; G25-L27 PolarHBondContact O-N 3.34Å
26Q33.5Very low31Very low190 Ų190155.1 Ų155.189%0.88882%0.819SS**PPolyproline II helixtrans-75.5118-169.5-162.61670.800111.4
27L28.8Very low30.8Very low166 Ų166154 Ų15487%0.86982%0.819SS**PPolyproline II helixtrans-87119.6175.3-77.6167000110.2G25G25-L27 PolarHBondContact O-N 3.34Å
28H31.2Very low30.4Very low165 Ų165149.8 Ų149.876%0.76481%0.807SS**PPolyproline II helixtrans-76129.8169-100.4-96.3000111
29P34.6Very low30Very low112 Ų112149.9 Ų149.973%0.72781%0.807SS**PPolyproline II helixtrans-71.9124.2158.230.2-30.8000109
30T25.8Very low29.6Very low121 Ų121148.4 Ų148.474%0.74280%0.8SS**  trans-9398.2172.2410000109.7K32T30-K32 PolarHBondContact O-N 2.72Å
31V27.6Very low29.4Very low136 Ų136153.8 Ų153.882%0.82480%0.804SS**  trans-66.9119.1166.5179.60000107.8
32K27.9Very low29Very low175 Ų175148.6 Ų148.676%0.76180%0.798SS**  trans-101.5101.2169.8-76.5-173176.4-176.80109T30T30-K32 PolarHBondContact O-N 2.72Å
33E28.9Very low29.7Very low178 Ų178146.4 Ų146.483%0.83279%0.794SS**  trans-90.3118.7168.1-168.8158.7-144.900109.5A35E33-A35 PolarHBondContact O-N 3.24Å
34N29.5Very low29.3Very low150 Ų150149.7 Ų149.780%0.80280%0.799SS**  trans-95.974.3-176.3-73.2-41.1000110.9K36N34-K36 PolarHBondContact O-N 3.33Å
35A30Very low29.2Very low101 Ų101150.4 Ų150.484%0.83580%0.798SS**  trans-78.899.3167.500000109.9E33E33-A35 PolarHBondContact O-N 3.24Å
36K27.1Very low29.1Very low179 Ų179155.5 Ų155.578%0.77880%0.804SS**  trans-110.599.5175.9-175-164.8175.8-1670110.2N34N34-K36 PolarHBondContact O-N 3.33Å
37L27.2Very low28.7Very low169 Ų169152 Ų15289%0.88580%0.796SS**  trans-110.5144.3160.8-141.175.8000109.3
38T28.2Very low28.7Very low105 Ų105153 Ų15364%0.64480%0.796SS**  trans-134.8128.7-179.9-560000108.1
39Q28Very low28.4Very low190 Ų190148.7 Ų148.789%0.88879%0.789SS**  trans-149.9148.5161-121.7167.1-13.300109.2
40E27.4Very low27.9Very low176 Ų176149.4 Ų149.482%0.82279%0.792SS**  trans-103.9149.9-173.7-61.3171.7101.800109.8
41E22.9Very low27.9Very low193 Ų193153.4 Ų153.490%0.90280%0.798SS**  -178.4174.6115.8-97-169.6150.300112.5
42V25.8Very low27.8Very low130 Ų130152.9 Ų152.979%0.78880%0.796SS**  trans-159.4162.7-153.8-179.30000107.8
43P43.6Very low27.7Very low102 Ų102152.6 Ų152.666%0.66280%0.801SS**  cis-126.6178.9-34.338.3-23.2000114
44Q27.5Very low27.4Very low181 Ų181148.7 Ų148.785%0.84679%0.793SS**  trans-169.3129.1142.8-103.1147.764.800108.3
45Q27.4Very low27.1Very low174 Ų174147.8 Ų147.881%0.81379%0.793SS**  50129.273.2-59.4-164.818.400112.3
46Q28.2Very low27Very low172 Ų172147.8 Ų147.880%0.80479%0.793SS**  cis-162.3122.238.5-16717032.400108.9
47T24.3Very low27Very low118 Ų118144.8 Ų144.872%0.72479%0.789SS**  72.8143.497-38.20000117.1
48Q29.4Very low27.2Very low185 Ų185144.4 Ų144.486%0.86479%0.788SS**  trans82.6149.7170.5-54.9-16417.700117.9
49A26.1Very low27.3Very low75 Ų75146.8 Ų146.862%0.6279%0.791SS**  cis-162.6152.5-27.400000112.1
50T23.4Very low27.5Very low128 Ų128143.3 Ų143.379%0.78578%0.779SS**  trans22123.9151.158.10000120.9
51K26.6Very low27.6Very low204 Ų204142.1 Ų142.189%0.88778%0.778SS**  -159.7125.4106.1-112.5169.4-175.1174.30113.9
52T24.1Very low27.9Very low126 Ų126136.1 Ų136.177%0.77377%0.768SS**  trans-75.4145159.48.10000110.3
53I25.2Very low28.2Very low169 Ų169138.8 Ų138.887%0.86777%0.772SS**  trans-158.7149139.6-100151.3000106.9
54S22.7Very low27.7Very low96 Ų96142.8 Ų142.867%0.67178%0.782SS**  trans-138.3169.8-174.4-55.10000111.2
55T25Very low27.8Very low131 Ų131139.1 Ų139.180%0.80478%0.782SS**  trans94.2101.3151.7-26.50000118.7V57T55-V57 HydrophobicContact CG2-CG2 4.2Å
56A26Very low28.1Very low100 Ų100140.1 Ų140.183%0.82679%0.787SS**  trans172.4104.5139.300000106.9
57V27.3Very low28.3Very low116 Ų116140.6 Ų140.670%0.70379%0.789SS**  cis86.78643-174.50000114.1T55T55-V57 HydrophobicContact CG2-CG2 4.2Å
58L31.6Very low28.8Very low162 Ų162144.9 Ų144.985%0.84879%0.794SS**  trans-165113.8140.3-133.368.3000105.3
59E30.9Very low28.9Very low154 Ų154144.1 Ų144.172%0.7279%0.792SS**  61.7126.466.2-71.3-147-152.500114.1
60N33Very low29.6Very low117 Ų117147.7 Ų147.763%0.62680%0.8SS**  cis-162.3171.5-0.6-145.6-26.6000113
61N29.7Very low30.1Very low152 Ų152147.5 Ų147.581%0.81380%0.795SS**  trans67157.1166.1-53.3-32.8000118.6
62G29.2Very low30.8Very low67 Ų67144 Ų14469%0.69179%0.79SS**  cis162.9122-11.600000115.6
63E31.1Very low31.7Very low185 Ų185141.5 Ų141.586%0.86478%0.777SS**  trans66.7117.6152.5-51.5-164.1140.700124.1
64Q34Very low32.5Very low186 Ų186136.8 Ų136.887%0.86976%0.76SS**  trans34.1122.5135.5-54.8-179.72500123.4
65A29.8Very low33.4Very low104 Ų104138 Ų13886%0.8676%0.758SS**  trans177.3166135.600000111.5
66E33.7Very low34.3Very low196 Ų196137.9 Ų137.992%0.91675%0.752SS**  -151.5163.4-60.2-145.2-176.5-160.500109.3
67Q31.8Very low35.3Very low181 Ų181136.5 Ų136.585%0.84674%0.736SS**  trans-89.1117.1-170.9-169.610820.800113
68Y34.6Very low36.2Very low208 Ų208137 Ų13782%0.81673%0.73SS**  trans-74.3130.5176.5-143.1-99.8000112.2L70Y68-L70 HydrophobicContact CD1-CD2 4.48Å; Y68-L70 HydrophobicContact CD1-CG 4.43Å; Y68-L70 HydrophobicContact CE1-CD2 3.88Å; Y68-L70 HydrophobicContact CE1-CG 4.31Å
69M32.1Very low36.6Very low169 Ų169135.1 Ų135.183%0.83372%0.721SS**  trans-133.7121.7173.9-80.3-107.4-64.700109.2
70L39.4Very low37.3Very low150 Ų150133.4 Ų133.479%0.78572%0.717SS**  trans-83.2132175.6-72.8168000110.8Y68Y68-L70 HydrophobicContact CD1-CD2 4.48Å; Y68-L70 HydrophobicContact CD1-CG 4.43Å; Y68-L70 HydrophobicContact CE1-CD2 3.88Å; Y68-L70 HydrophobicContact CE1-CG 4.31Å
71D34.3Very low37.6Very low125 Ų125131.4 Ų131.467%0.66871%0.712SS**  trans-105.6114.9178.9-169.4-15.5000110.6S73D71-S73 VanDerWaalsContact C-N 3.32Å; D71-S73 VanDerWaalsContact CG-OG 3.29Å; D71-S73 VanDerWaalsContact OD1-CB 3.25Å; D71-S73 WeakPolarHBondContact OD1-CB 3.11Å; D71-S73 PolarHBondContact OD1-N 3.47Å; D71-S73 PolarHBondContact OD1-OG 3.38Å; D71-S73 PolarHBondContact OD2-OG 3.03Å
72V42.6Very low38.2Very low129 Ų129133.1 Ų133.178%0.78271%0.712SS**  trans-86.1-3-177.7-1750000111.9S74V72-S74 PolarHBondContact O-N 2.77Å
73S42.7Very low38.9Very low74 Ų74140.4 Ų140.452%0.51772%0.72SS.*  trans-76.5-17.1-173.467.20000115.6D71 N75D71-S73 VanDerWaalsContact C-N 3.32Å; D71-S73 VanDerWaalsContact CG-OG 3.29Å; D71-S73 VanDerWaalsContact OD1-CB 3.25Å; D71-S73 WeakPolarHBondContact OD1-CB 3.11Å; D71-S73 PolarHBondContact OD1-N 3.47Å; D71-S73 PolarHBondContact OD1-OG 3.38Å; D71-S73 PolarHBondContact OD2-OG 3.03Å; S73-N75 PolarHBondContact O-N 3.28Å
74S42.2Very low39.6Very low71 Ų71138.2 Ų138.250%0.49771%0.713SS.*Hα-helixtrans-63.3-41.5-173-160.80000114.3V72 I76 S77V72-S74 PolarHBondContact O-N 2.77Å; S74-I76 VanDerWaalsContact C-N 3.32Å; S74-I76 PolarHBondContact O-N 2.75Å; S74-S77 PolarHBondContact O-N 3.11Å; S74-S77 PolarHBondContact O-OG 3.01Å
75N41.6Very low40Very low120 Ų120135.2 Ų135.264%0.64270%0.703SS**Hα-helixtrans-74.8-18.4-166.1-151.7-12.3000114S73S73-N75 PolarHBondContact O-N 3.28Å
76I43.8Very low40.1Very low130 Ų130134 Ų13467%0.66770%0.701SS**Hα-helixtrans-84.8-27.8176.2-54.4178.5000110.6S74S74-I76 VanDerWaalsContact C-N 3.32Å; S74-I76 PolarHBondContact O-N 2.75Å
77S46.6Very low40.2Very low71 Ų71132.8 Ų132.850%0.49769%0.692SS.*Hα-helixtrans-73.2-34.3-179.246.20000114.7S74 S81S74-S77 PolarHBondContact O-N 3.11Å; S74-S77 PolarHBondContact O-OG 3.01Å; S77-S81 PolarHBondContact O-OG 3.34Å
78E45.8Very low40.3Very low125 Ų125131.4 Ų131.458%0.58469%0.689SS**Hα-helixtrans-77.5-29.3-174.1-71.4-175117.900113.9L80 S81E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.11Å; E78-S81 WeakPolarHBondContact CA-OG 3.2Å; E78-S81 PolarHBondContact O-OG 2.74Å
79N40.4Very low40.1Very low123 Ų123129.5 Ų129.566%0.65869%0.692SS**Hα-helixtrans-71.6-25.1175.6-89.3-68.8000113.6
80L44.3Very low40.1Very low119 Ų119126.7 Ų126.762%0.62369%0.689SS**Hα-helixtrans-85.8-16.8178.3-74.4168000113.6E78 F82E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.11Å; L80-F82 VanDerWaalsContact C-N 3.34Å; L80-F82 PolarHBondContact O-N 2.92Å
81S39.9Very low39.8Very low75 Ų75126.3 Ų126.352%0.52469%0.693SS.*G310 helixtrans-70.5-22.4177.9200000114.9S77 E78 Y83S77-S81 PolarHBondContact O-OG 3.34Å; E78-S81 WeakPolarHBondContact CA-OG 3.2Å; E78-S81 PolarHBondContact O-OG 2.74Å; S81-Y83 PolarHBondContact O-N 3.1Å
82F43.1Very low39.8Very low187 Ų187125.6 Ų125.682%0.8270%0.698SS**G310 helixtrans-80.5-11.1-174.3-89-80.5000115.3L80L80-F82 VanDerWaalsContact C-N 3.34Å; L80-F82 PolarHBondContact O-N 2.92Å
83Y43.4Very low39.3Very low220 Ų220125.7 Ų125.786%0.86370%0.699SS**G310 helixtrans-107.47.7-170.3-108.7-81.4000116S81S81-Y83 PolarHBondContact O-N 3.1Å
84I46.1Very low38.7Very low139 Ų139129.6 Ų129.671%0.71371%0.713SS**SBendtrans-117.4-22.2-166.2-62.2-178.8000114.9
85D42.9Very low38.3Very low123 Ų123132.8 Ų132.866%0.65872%0.724SS**  trans-11223.7-169.5-122.5-37.4000116K87D85-K87 PolarHBondContact O-N 2.78Å; D85-K87 IonicContact OD1-NZ 2.7Å; D85-K87 PolarHBondContact OD1-NZ 3.1Å
86G31.3Very low37.5Very low78 Ų78133.4 Ų133.480%0.80473%0.728SS**  trans-82.589175.100000113.4
87K35.4Very low36.7Very low171 Ų171131.4 Ų131.474%0.74372%0.724SS**  trans-80.1137.1-179.1-63.8-176178.3720113D85D85-K87 PolarHBondContact O-N 2.78Å; D85-K87 IonicContact OD1-NZ 2.7Å; D85-K87 PolarHBondContact OD1-NZ 3.1Å
88I34.2Very low35.7Very low152 Ų152136.5 Ų136.578%0.77974%0.74SS**  trans-75138.1178.7-54.6166.7000110.4
89L30.4Very low34.8Very low169 Ų169138.8 Ų138.889%0.88575%0.753SS**  trans-126.2128.8165.3-84.8168000109.6
90S31.5Very low34.1Very low110 Ų110141.4 Ų141.477%0.76976%0.761SS**  trans-104.7128.3179.4-57.80000110.9
91T34.1Very low33.4Very low141 Ų141142 Ų14287%0.86576%0.763SS**  trans-134.2106.916951.50000110.1
92S33.8Very low32.7Very low110 Ų110148 Ų14877%0.76978%0.775SS**  trans-106.4116.8177.954.70000111.1
93T32.2Very low32.1Very low132 Ų132145.1 Ų145.181%0.8178%0.778SS**  trans-167.8147.4157.510.30000113.9
94I30.6Very low31.4Very low156 Ų156138.6 Ų138.680%0.878%0.777SS**  trans73.495151.7-59.5158000118.8
95N31.9Very low31.1Very low138 Ų138138 Ų13874%0.73879%0.785SS**  trans-4133.9132.2-121.162000119.1
96N26.1Very low30.7Very low133 Ų133136.8 Ų136.871%0.71179%0.787SS**  179.4159101.9-109.719.4000115.6
97C26.9Very low30.9Very low87 Ų87138.3 Ų138.359%0.58878%0.78SS**  trans58.497.9150.2-67.40000122.8
98E25.6Very low30.9Very low179 Ų179137.7 Ų137.784%0.83678%0.784SS**  79153.2109.7-74.7173.2119.500124.8
99M26.8Very low30.7Very low173 Ų173137.1 Ų137.185%0.85279%0.787SS**  trans71.299.7165.9-93.9-177.2173.900121.2
100E25.8Very low30.5Very low178 Ų178132.5 Ų132.583%0.83278%0.781SS**  trans-62.3154.6140.8-50.3174.1103.100110.9
101I28.4Very low30.5Very low130 Ų130134.3 Ų134.367%0.66778%0.779SS**  -167.8115.2127.1-100.6153.5000112.9
102R27Very low30.2Very low203 Ų203133.6 Ų133.677%0.76677%0.77SS**  trans39.5114.4144.8-61.3-178.217374.211.6122.2
103S30.3Very low30.2Very low126 Ų126133.5 Ų133.588%0.88177%0.765SS**  45.2131.5106.5-44.80000121.5
104G28.9Very low30.3Very low83 Ų83134.3 Ų134.386%0.85676%0.763SS**  trans-155.4132.1155.800000112.7
105S38.3Very low30.3Very low125 Ų125133.1 Ų133.187%0.87476%0.757SS**  trans-153.9163.116766.70000110.2
106S35.2Very low30.3Very low99 Ų99134 Ų13469%0.69276%0.761SS**  trans116.6111.7159.7-154.60000118.2
107T36.1Very low30.6Very low109 Ų109130.7 Ų130.767%0.66976%0.759SS**  trans70.8123130.154.90000125.2
108L34.9Very low31.4Very low158 Ų158132.3 Ų132.383%0.82777%0.768SS**  69.3133.4124.9-62.5168000121.9
109V29.3Very low31.6Very low140 Ų140128.2 Ų128.285%0.84877%0.765SS**  171.7144.9101.8155.80000110.8
110G27.5Very low32Very low72 Ų72127.7 Ų127.774%0.74276%0.76SS**  trans122.3139.415600000117.4
111M30Very low32.5Very low149 Ų149126 Ų12673%0.73476%0.756SS**  cis-170.6140.9-43.8-89.1-121.37500106.3
112D29.5Very low32.7Very low125 Ų125124.1 Ų124.167%0.66875%0.753SS**  trans47.1147.8145.6-64-3.8000122.3
113T32.5Very low33.1Very low108 Ų108122.5 Ų122.566%0.66376%0.755SS**  cis-167.1157.41.2160000112.8
114L34.6Very low33Very low150 Ų150121.2 Ų121.279%0.78574%0.742SS**  trans67.3161.1150.1-62.7162.6000118
115I31.9Very low33.1Very low130 Ų130124.8 Ų124.867%0.66774%0.74SS**  cis-151.6151.712.8-145.8151.3000114.4
116L29.9Very low32.6Very low156 Ų156125.2 Ų125.282%0.81773%0.733SS**  trans61.6128.7157.8-75.7158.3000124.1
117G32.4Very low32.4Very low65 Ų65125.5 Ų125.567%0.6773%0.73SS**  trans-101.3-134.9149.900000110.6
118P43.7Very low31.9Very low121 Ų121126.8 Ų126.879%0.78673%0.733SS**  cis-145-178.67.744.7-26.3000117.6
119A31.6Very low31.7Very low92 Ų92124.1 Ų124.176%0.7672%0.723SS**  trans70.8156.1152.600000118.5
120Q34.6Very low31.4Very low163 Ų163126.3 Ų126.376%0.76272%0.724SS**  cis-136.9148.314.7-81.2-174.6-6.900113.8
121I36.3Very low31.4Very low143 Ų143127 Ų12773%0.73372%0.723SS**  50.2123.8129.1-54.8170.6000116.8
122S33.3Very low31.8Very low89 Ų89126.2 Ų126.262%0.62273%0.729SS**  cis-161.8178.629.2-126.40000109.5
123Q34.3Very low31.7Very low169 Ų169123.6 Ų123.679%0.7973%0.731SS**  cis-168176.5-12.6-128.2171.3-58.100105.9
124V28.4Very low31.6Very low100 Ų100126 Ų12661%0.60674%0.735SS**  cis-149.7156.2-6.9680000108.1
125L30.7Very low31.2Very low157 Ų157125.8 Ų125.882%0.82273%0.73SS**  trans-145.7146.9160.1-83.9171.2000108.2
126N27.7Very low31Very low135 Ų135126.8 Ų126.872%0.72273%0.732SS**  trans-107115.9158.7-65.37000104.9
127T31.6Very low30.9Very low104 Ų104123.4 Ų123.464%0.63872%0.722SS**  60.9138.873.581.60000111.2
128D26.2Very low31.1Very low137 Ų137129 Ų12973%0.73373%0.727SS**  cis-149.1165.722.6-85.7-76.6000111.4
129T29.3Very low30.4Very low101 Ų101132.9 Ų132.962%0.6273%0.726SS**  cis-171.8162.4-25.6-93.20000109.2
130E24.4Very low30.5Very low187 Ų187137.9 Ų137.987%0.87473%0.726SS**  trans75.6142.6163.3-90169.2-171.900123.8
131A26.9Very low30.2Very low87 Ų87136.4 Ų136.472%0.71973%0.728SS**  trans-136.3-165166.200000105.3
132P39.1Very low29.9Very low131 Ų131134.1 Ų134.185%0.85173%0.73SS**  cis-140.7-1781.343.2-24.9000116.2
133G26.3Very low29.9Very low70 Ų70136.2 Ų136.272%0.72274%0.74SS**  trans124.4160.5147.500000116.8
134Q29.5Very low31Very low158 Ų158133.8 Ų133.874%0.73874%0.738SS**  cis-171.3119.1-20.9173.3176.5-25.900109.1
135Q26.7Very low31.8Very low147 Ų147133.9 Ų133.969%0.68774%0.741SS**  trans60.4171.6158.8-64.1173.9-30.100117
136Q28.1Very low31.7Very low150 Ų150134.3 Ų134.370%0.70174%0.744SS**  cis-154.5136-33.2-112.2178.716.800112.5
137S28.6Very low31.9Very low86 Ų86135.4 Ų135.460%0.60175%0.748SS**  trans76.7152.2135.987.40000123.4
138K35.2Very low32.8Very low181 Ų181134.9 Ų134.979%0.78775%0.747SS**  trans79.7103.5148.7-70160.4-171.1160.60122
139R30.3Very low33.1Very low203 Ų203137.4 Ų137.477%0.76675%0.754SS**  86121.9123.7-76.9-172.4170.1-171.7-0.2122
140R33.6Very low33.2Very low197 Ų197139 Ų13974%0.74376%0.757SS**  81.5106129.2-74.2-176.2173.3-169-4121.2
141T28.8Very low33.6Very low132 Ų132139.3 Ų139.381%0.8176%0.756SS**  76.4140.2120.3-42.60000120
142A28.8Very low33.9Very low95 Ų95140.2 Ų140.279%0.78575%0.753SS**  trans81.7132.816600000118.7
143T32.7Very low33.5Very low133 Ų133142.3 Ų142.382%0.81675%0.751SS**  trans-86.4169.4161.335.60000110.4
144P58Low33.7Very low118 Ų118144.5 Ų144.577%0.76675%0.746SS**  cis-118.9-139-14.637.1-16.2000108.5
145P46.2Very low33.6Very low103 Ų103144.9 Ų144.967%0.66975%0.748SS**  cis-137.1-174.5-20.743.3-25.9000116.1
146L28.1Very low33.9Very low166 Ų166142.3 Ų142.387%0.86975%0.746SS**  trans72.9159.4151.3-74.7171.2000122.3
147L32.1Very low33.9Very low157 Ų157144 Ų14482%0.82275%0.753SS**  trans-95.2-167.2-170-71165000112.3
148P50.2Low33.9Very low93 Ų93145.8 Ų145.860%0.60476%0.761SS**  cis-135.4168.6-45.133.4-16.8000114.6
149Q31.6Very low33.5Very low191 Ų191142.6 Ų142.689%0.89376%0.756SS**  trans-146.4128.4147.5-65.3-169.9-9.100107.3
150I32.4Very low33.3Very low133 Ų133140.9 Ų140.968%0.68276%0.759SS**  cis84.696.135.3-54.8172.8000114.3T152I150-T152 HydrophobicContact CG2-CG2 4.26Å
151K32.3Very low33Very low195 Ų195136.3 Ų136.385%0.84876%0.757SS**  -143.1120.3129.3-75.9-165.5178.3179.40106.3
152T33Very low33.2Very low106 Ų106135.3 Ų135.365%0.6576%0.755SS**  56.3116.570.166.30000111.4I150I150-T152 HydrophobicContact CG2-CG2 4.26Å
153E30.2Very low33.7Very low174 Ų174136.8 Ų136.881%0.81376%0.757SS**  cis-148.2-179.79.5-100.4169150.300108.4
154L31.8Very low33.4Very low116 Ų116135.9 Ų135.961%0.60776%0.756SS**  cis-161.6147.924.4-16374.8000109.7
155Q27.9Very low32Very low167 Ų167136.4 Ų136.478%0.7876%0.763SS**  trans55.7141.2157.3-75.2161.71200119.9
156S32.2Very low31.2Very low93 Ų93136.3 Ų136.365%0.6576%0.764SS**  cis-157152.9-6.5-82.70000110.3
157E28.8Very low31.1Very low184 Ų184135.5 Ų135.586%0.8676%0.76SS**  trans51.4140.9148.2-68.9173-164.100122.1
158V26.7Very low30.8Very low124 Ų124135 Ų13575%0.75276%0.758SS**  cis-163.8142.6-23.9105.60000109.4
159V27.6Very low29.6Very low114 Ų114135.3 Ų135.369%0.69176%0.762SS**  trans49.2107.6160.2-176.40000118.7
160M26.7Very low29.4Very low168 Ų168131.2 Ų131.283%0.82875%0.754SS**  53.1150.998.1-50.4176.456.100117.2
161S26.3Very low29.2Very low100 Ų100132.6 Ų132.670%0.69976%0.762SS**  cis-152.9166.921.4-46.50000112.7
162S34Very low29.1Very low111 Ų111130.7 Ų130.778%0.77676%0.759SS**  trans-74.9160.1156.6-400000110.6
163P38.2Very low28.9Very low127 Ų127132.2 Ų132.283%0.82576%0.759SS**  -154.4-167.880.142.7-22.7000115.7
164S28.1Very low28.8Very low114 Ų114131.1 Ų131.180%0.79776%0.759SS**  trans-73154.5176.9-29.10000114.7
165S28.2Very low28.7Very low129 Ų129131.3 Ų131.390%0.90276%0.76SS**  trans-177.4-171.8134.151.20000110.9
166S29.7Very low28.8Very low100 Ų100131.8 Ų131.870%0.69976%0.76SS**  trans-140.8164.1-168.156.30000113.2
167L25.6Very low29.8Very low150 Ų150132.1 Ų132.179%0.78576%0.76SS**  trans84.1120.5167.3-55178.4000119.3
168L25.5Very low30Very low147 Ų147130.8 Ų130.877%0.7775%0.753SS**  trans69.1117.5132.5-63.7171.7000122
169S25.2Very low30.1Very low99 Ų99130.7 Ų130.769%0.69275%0.749SS**  76109.5128.8-57.30000121.6
170S27.2Very low30.4Very low105 Ų105131.1 Ų131.173%0.73475%0.752SS**  72.2124.9127.6-54.80000122.1
171L28.3Very low30.5Very low161 Ų161132.1 Ų132.184%0.84376%0.755SS**  trans74.9159.2143.5-75.6164.4000120.1
172I30.6Very low31Very low155 Ų155132.8 Ų132.880%0.79576%0.759SS**  trans72.5141.7166.8-67.2155.3000116
173E28.1Very low30.9Very low139 Ų139135.5 Ų135.565%0.6576%0.759SS**  cis-171.6153.5-28.1-171.2169.9148.600107.6
174N28.6Very low30.4Very low151 Ų151136.4 Ų136.481%0.80776%0.756SS**  trans-165.6105.8154.1-100.9-47.6000113.1
175L30.1Very low30.4Very low119 Ų119137.5 Ų137.562%0.62376%0.758SS**  8.3143.6125-44.7179.4000116.6
176F29.2Very low30.5Very low178 Ų178140.3 Ų140.378%0.78176%0.756SS**  cis-173.8176.217.5-135.5-137.5000107.6
177P54Low30.6Very low99 Ų99145.1 Ų145.164%0.64377%0.768SS**  cis-123.4-164.3-44.542-25000110.8
178Q32.4Very low31.2Very low156 Ų156147.1 Ų147.173%0.72977%0.773SS**  cis-160160.17-147-17830.600112.6
179N29Very low31.7Very low123 Ų123151.8 Ų151.866%0.65878%0.781SS**  trans94.8130.9150.2-65.2-33.5000124.1
180T32.4Very low32.3Very low122 Ų122153 Ų15375%0.74878%0.784SS**  trans77.394.9149.145.50000123.6
181E29.8Very low32.9Very low190 Ų190154.5 Ų154.589%0.88879%0.788SS**  trans85.9163.2132.3-57.5-167.7152.400122.2
182S37.7Very low33.5Very low114 Ų114156 Ų15680%0.79779%0.789SS**  trans-121.5-178.3-147.6-47.10000112.6
183E30.5Very low34.7Very low167 Ų167155.2 Ų155.278%0.7879%0.785SS**  cis-145147.716.2-72-169.9110.800114.5
184I27.3Very low36.1Very low146 Ų146152.1 Ų152.175%0.74978%0.778SS**  trans35.7122.9130.7-47.3170.7000121
185V28.3Very low37.7Very low138 Ų138150.2 Ų150.284%0.83677%0.774SS**  -174.4147.6118.6147.40000109.7
186Q30.5Very low39Very low188 Ų188152.6 Ų152.688%0.87978%0.78SS**  trans-120.7153.7-178.1-64179-45.200112.4
187E33.1Very low40.2Very low200 Ų200148.3 Ų148.394%0.93576%0.764SS**  trans-154.7147.2150.2-136.2175.7-165.100112.1
188E36.9Very low40.7Very low192 Ų192150.7 Ų150.790%0.89777%0.765SS**  trans-91.6161.9-171-65.7-172.3109.900114.4
189R35.6Very low42.4Very low246 Ų246149.9 Ų149.993%0.92876%0.761SS**  trans-113.6124.7171.5-73.4-175.6175.4174.40111.9
190T39.3Very low43.5Very low124 Ų124150.5 Ų150.576%0.76176%0.764SS**  trans-85.3146.3-178.349.50000113
191V39.9Very low44.2Very low136 Ų136149.9 Ų149.982%0.82476%0.755SS**  trans-107.8123.8178.7178.70000110.1
192F40.7Very low45.3Very low194 Ų194147.8 Ų147.885%0.85175%0.745SS**PPolyproline II helixtrans-85.6118.2-178.1-92.4-97.1000113.2
193L55.2Low46Very low138 Ų138151.4 Ų151.472%0.72375%0.746SS**PPolyproline II helixtrans-83.8153.2171.8-74165.8000112.3L197L193-L197 HydrophobicContact CD1-CD2 4.34Å; L193-L197 HydrophobicContact CD2-CD2 4.33Å
194S57.8Low46.7Very low73 Ų73152.1 Ų152.151%0.5175%0.75SS.*PPolyproline II helixtrans-72.5148.7-17079.60000114.5K196 L197S194-K196 VanDerWaalsContact C-N 3.28Å; S194-K196 PolarHBondContact O-N 3.38Å; S194-K196 VanDerWaalsContact O-N 3.12Å; S194-L197 PolarHBondContact O-N 3.37Å; S194-L197 VanDerWaalsContact O-N 3.08Å
195P62.7Low47Very low111 Ų111154.2 Ų154.272%0.72176%0.756SS**Hα-helixtrans-59.5-28.8-173.2-27.635.7000116L197 K198 Q199P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 2.78Å; P195-K198 PolarHBondContact O-N 3.43Å; P195-Q199 PolarHBondContact O-N 3.13Å; P195-Q199 VanDerWaalsContact O-N 3.15Å
196K56.9Low47.3Very low170 Ų170150.4 Ų150.474%0.73975%0.746SS**Hα-helixtrans-71.1-26.9178.7-83.7-167.6172.9-1750113.5S194S194-K196 VanDerWaalsContact C-N 3.28Å; S194-K196 PolarHBondContact O-N 3.38Å; S194-K196 VanDerWaalsContact O-N 3.12Å
197L54.2Low47.5Very low87 Ų87151.9 Ų151.946%0.45575%0.749SS.*Hα-helixtrans-71.5-42.9174.3-162.972.4000109.9L193 S194 P195 Q199 L200 L201L193-L197 HydrophobicContact CD1-CD2 4.34Å; L193-L197 HydrophobicContact CD2-CD2 4.33Å; S194-L197 PolarHBondContact O-N 3.37Å; S194-L197 VanDerWaalsContact O-N 3.08Å; P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 2.78Å; L197-Q199 PolarHBondContact O-N 2.99Å; L197-L200 PolarHBondContact O-N 2.99Å; L197-L201 HydrophobicContact CD2-CD1 4.42Å; L197-L201 HydrophobicContact CG-CD1 4.02Å; L197-L201 PolarHBondContact O-N 2.97Å
198K65.1Low47.9Very low149 Ų149152 Ų15265%0.64875%0.747SS**Hα-helixtrans-56.8-49176.2-168.5171.1-177.6174.90111.9P195 L200 L201 E202P195-K198 PolarHBondContact O-N 3.43Å; K198-L200 PolarHBondContact O-N 3.15Å; K198-L201 PolarHBondContact O-N 2.99Å; K198-E202 VanDerWaalsContact O-CB 3.23Å; K198-E202 WeakPolarHBondContact O-CB 3.06Å; K198-E202 PolarHBondContact O-N 3Å
199Q66.6Low48.2Very low140 Ų140149 Ų14965%0.65474%0.744SS**Hα-helixtrans-69.6-14.6-177.2-162.5172.833.900114.9P195 L197P195-Q199 PolarHBondContact O-N 3.13Å; P195-Q199 VanDerWaalsContact O-N 3.15Å; L197-Q199 PolarHBondContact O-N 2.99Å
200L52.6Low48Very low136 Ų136142 Ų14271%0.71274%0.739SS**Hα-helixtrans-95.4-37.1173.4-74.6171.2000112.4L197 K198 E202 K203L197-L200 PolarHBondContact O-N 2.99Å; K198-L200 PolarHBondContact O-N 3.15Å; L200-E202 VanDerWaalsContact C-N 3.35Å; L200-K203 PolarHBondContact O-N 2.88Å
201L48.2Very low47.5Very low108 Ų108143.4 Ų143.457%0.56575%0.747SS**Hα-helixtrans-62.2-42171.9-75.8164.6000111.7L197 K198 K203 Q204L197-L201 HydrophobicContact CD2-CD1 4.42Å; L197-L201 HydrophobicContact CG-CD1 4.02Å; L197-L201 PolarHBondContact O-N 2.97Å; K198-L201 PolarHBondContact O-N 2.99Å; L201-K203 PolarHBondContact O-N 3.16Å; L201-Q204 PolarHBondContact O-N 3.46Å; L201-Q204 VanDerWaalsContact O-N 3.12Å
202E51.5Low47.1Very low146 Ų146141 Ų14168%0.68274%0.741SS**THydrogen-bonded Turntrans-63.52.7179-167.8167.1-142.200114.4K198 L200K198-E202 VanDerWaalsContact O-CB 3.23Å; K198-E202 WeakPolarHBondContact O-CB 3.06Å; K198-E202 PolarHBondContact O-N 3Å; L200-E202 VanDerWaalsContact C-N 3.35Å
203K52.2Low46.5Very low190 Ų190138.9 Ų138.983%0.82674%0.738SS**THydrogen-bonded Turntrans-125.65.6174.8-83-163.5170.9-170.50115.9L200 L201L200-K203 PolarHBondContact O-N 2.88Å; L201-K203 PolarHBondContact O-N 3.16Å
204Q45.3Very low45.3Very low182 Ų182138.8 Ų138.885%0.8574%0.737SS**THydrogen-bonded Turntrans-143.219.5179.9-139.8172.647.500117.3L201 G206L201-Q204 PolarHBondContact O-N 3.46Å; L201-Q204 VanDerWaalsContact O-N 3.12Å; Q204-G206 PolarHBondContact O-N 3.26Å
205E34.8Very low43.9Very low190 Ų190142.1 Ų142.189%0.88875%0.754SS**  trans-77.798.5158.3-68.1-155.1131.500110
206G34.3Very low42.1Very low59 Ų59144.3 Ų144.361%0.60876%0.76SS**  trans-142.956.8-168.600000113.8Q204Q204-G206 PolarHBondContact O-N 3.26Å
207F35.2Very low40.6Very low218 Ų218139.2 Ų139.296%0.95676%0.755SS**  trans78.5146.9173.5-62.2-84.6000118.8
208K41.6Very low39.5Very low203 Ų203143.8 Ų143.888%0.88377%0.774SS**  trans-101.8157-171.3-48.1170.8-176.3177.90110.8
209P42.4Very low37.8Very low130 Ų130145.8 Ų145.884%0.84478%0.783SS**  trans-118.1114.7157.234.1-21.9000111.9
210A31.1Very low35.9Very low99 Ų99144.2 Ų144.282%0.81879%0.787SS**  trans-160.780.2168.500000112.4
211V30Very low34.5Very low153 Ų153142.5 Ų142.593%0.92779%0.787SS**  trans-136.9139.6153.6-1770000106.5
212A31.3Very low33.9Very low84 Ų84142.6 Ų142.669%0.69480%0.796SS**  trans-124-179.2-171.600000112
213L27.2Very low34Very low151 Ų151140.4 Ų140.479%0.79180%0.795SS**  trans89.2105.6165.1-51.3175.4000118.3
214I29.7Very low32.7Very low136 Ų136138.7 Ų138.770%0.69779%0.794SS**  62116124.7-58.2166000118.5
215T28.7Very low32Very low142 Ų142134.3 Ų134.387%0.87178%0.783SS**  -161.2157117.27.40000111.4
216D25Very low32.1Very low158 Ų158132.4 Ų132.485%0.84578%0.779SS**  trans-75.9158.4-173.9-70.1-86.3000115.6
217G26.6Very low32Very low62 Ų62136.4 Ų136.464%0.63979%0.786SS**  98.579.3126.800000118.9
218Q29.5Very low31.6Very low183 Ų183132.4 Ų132.486%0.85578%0.779SS**  trans-137.8159.6136.1-93.5-43.8-46.200113.9
219K30.9Very low31.2Very low191 Ų191129.8 Ų129.883%0.8377%0.774SS**  trans-81.2162.7-162-70.2177.6176.8175.90115.1
220S26.3Very low31.9Very low107 Ų107128.8 Ų128.875%0.74877%0.768SS**  trans-73.4174165.7510000113.2
221S23.1Very low31.8Very low101 Ų101130.1 Ų130.171%0.70677%0.771SS**  trans8389.7162.972.50000120.4
222S35.8Very low31.7Very low109 Ų109125.5 Ų125.576%0.76275%0.754SS**  65.5-177.4119.278.70000118.9
223P52.8Low31.9Very low101 Ų101128.8 Ų128.866%0.65677%0.766SS**  cis-133.3-162.9-5.533.5-10.2000114.3
224L25.9Very low32.1Very low153 Ų153124.7 Ų124.780%0.80176%0.76SS**  trans71.6107.5163.4-57.9174.5000116.5
225S31Very low32.3Very low90 Ų90127.5 Ų127.563%0.62977%0.767SS**  81.712163.474.70000112.9
226L36.4Very low32.5Very low151 Ų151130 Ų13079%0.79177%0.766SS**  60.4133.469.9-81.6173.7000114.4
227N32.2Very low33.1Very low142 Ų142131.7 Ų131.776%0.75976%0.76SS**  trans70.7159.5176.4-50.4-33000113.3
228V26.9Very low33.6Very low135 Ų135137 Ų13782%0.81876%0.761SS**  cis-137.8162.122.1-161.50000112.6
229L32.9Very low33.9Very low148 Ų148138.2 Ų138.278%0.77576%0.758SS**  trans-57-172.1155-79.281.8000112.1
230P55.9Low34Very low109 Ų109135.8 Ų135.871%0.70876%0.759SS**  -134.1172.9-51.137-22.5000112.5
231S30.7Very low34.2Very low127 Ų127134.4 Ų134.489%0.88876%0.762SS**  trans-172.6155.3141.3-87.70000111.3
232G28.1Very low34.6Very low55 Ų55135.3 Ų135.357%0.56777%0.769SS**  cis146.5109.8-5.900000112.5
233T33.8Very low35.2Very low154 Ų154135.1 Ų135.195%0.94577%0.765SS**  trans66.6147.4-176.879.90000115
234G31.6Very low33.9Very low64 Ų64136.6 Ų136.666%0.6677%0.772SS**  cis-168.1145.2-11.500000108.8
235K35.2Very low33.8Very low195 Ų195132.3 Ų132.385%0.84876%0.764SS**  168.8145.792-81.2172-174.7175.10105.8
236F32.9Very low33.7Very low196 Ų196134.4 Ų134.486%0.8677%0.774SS**  cis-144.8177.9-2.1-133.4-91.9000110.6
237R36.3Very low33.4Very low192 Ų192132.4 Ų132.473%0.72577%0.772SS**  trans-96.8166.5-177.6-73.9-179.7168.5-170.31.6111.7
238R37.1Very low33.3Very low174 Ų174134 Ų13466%0.65778%0.775SS**  cis-170.8163.5-9.5-113.3176.8-178.8-177-2.6110.5
239R37.2Very low33.3Very low208 Ų208135.8 Ų135.879%0.78578%0.775SS**  trans80.1131.8145.5-85.6-179175.5176.8-3.3122.2
240T32.7Very low32.9Very low140 Ų140135.5 Ų135.586%0.85977%0.773SS**  trans62.1128.4141.653.30000121.7
241G29.5Very low31.5Very low78 Ų78137.8 Ų137.880%0.80478%0.778SS**  trans141.2131160.300000114.2
242S32.7Very low31.3Very low121 Ų121138 Ų13885%0.84677%0.773SS**  trans-82.7177153.4-42.70000108.7
243P46.9Very low31.3Very low105 Ų105139.1 Ų139.168%0.68278%0.777SS**  cis-140.6-154.54.935.6-10.3000113.6
244T25.9Very low31Very low132 Ų132137.8 Ų137.881%0.8176%0.764SS**  trans42.2139148.252.10000123.4
245G24.2Very low31Very low62 Ų62142.5 Ų142.564%0.63977%0.769SS**  128.4102.711300000121.2
246T29.2Very low30.8Very low135 Ų135141.4 Ų141.483%0.82877%0.767SS**  56.2145.7125.638.90000125.3
247S28.7Very low30.5Very low108 Ų108138.8 Ų138.876%0.75577%0.767SS**  trans76.6162.6146.2-65.80000117.6
248Q30.3Very low30Very low177 Ų177133.2 Ų133.283%0.82777%0.77SS**  cis-127.5154.415.2-61.9166.2-0.800111.3
249Q26.7Very low29.6Very low172 Ų172133.4 Ų133.480%0.80478%0.778SS**  -166.9152.779.9-86.1178.80.100108.4
250I26.2Very low29.9Very low142 Ų142128.4 Ų128.473%0.72877%0.773SS**  cis-152.1157.913.1-110.4152.1000108.8
251L26.1Very low29.6Very low157 Ų157128.4 Ų128.482%0.82277%0.768SS**  trans-89.7168.3173.5-74.683.7000111.2
252V26.7Very low30.4Very low130 Ų130129.1 Ų129.179%0.78876%0.758SS**  -178.1144.169.2161.60000110.4
253A28.5Very low30.2Very low79 Ų79130.5 Ų130.565%0.65376%0.755SS**  trans17.9159.3148.600000123.9
254N27.7Very low29.4Very low126 Ų126132.2 Ų132.267%0.67476%0.759SS**  cis-162.8158.4-14-106.426000109.7
255E30.2Very low29.7Very low164 Ų164133.2 Ų133.277%0.76676%0.758SS**  trans36.4158.8134.1-52.1175.8134.300122.4
256E31.3Very low29.8Very low172 Ų172133.3 Ų133.380%0.80476%0.76SS**  cis-14417116.6-84-166.5103.600113.9
257T26.2Very low29.7Very low140 Ų140135.1 Ų135.186%0.85976%0.764SS**  trans103121.8146.2-38.70000119.6
258G25.7Very low29.6Very low76 Ų76133.1 Ų133.178%0.78476%0.76SS**  trans142.183.7150.600000119.3
259E29.9Very low29.5Very low177 Ų177129.9 Ų129.983%0.82776%0.757SS**  trans-69.6173.8163.9-79.8-84.6102.400113.5
260P42.3Very low29.4Very low104 Ų104130 Ų13068%0.67576%0.755SS**  cis-133.1158.3-12.527.3-5.2000117.1
261D27.1Very low29.5Very low139 Ų139133.8 Ų133.874%0.74376%0.76SS**  11.4168.7125.2-123.824.5000122.8
262P45.1Very low29.5Very low93 Ų93133.7 Ų133.760%0.60476%0.755SS**  cis-147.9174.85.748-29.7000120.3
263L30Very low29.6Very low150 Ų150135.1 Ų135.179%0.78576%0.757SS**  trans63.7143.4158.8-44.5-169000120
264D29.1Very low29.4Very low141 Ų141137.3 Ų137.375%0.75476%0.758SS**  cis75.1154.37.9-141.436.4000117.1
265L31.9Very low29.3Very low153 Ų153135.7 Ų135.780%0.80176%0.762SS**  cis-125.3-178.410.8-8478.1000110.9
266G27.4Very low29Very low65 Ų65137.2 Ų137.267%0.6777%0.769SS**  cis149.8142.1-900000114.9
267D27.6Very low29Very low173 Ų173139.9 Ų139.993%0.92577%0.772SS**  trans63.5167.9166.3-160.327.3000121
268G26.6Very low28.9Very low65 Ų65140.6 Ų140.667%0.6777%0.77SS**  trans157.6125.4169.700000116.9
269S27.5Very low29.2Very low110 Ų110142 Ų14277%0.76977%0.769SS**  trans-120.3138.9-169.5-95.40000117.5
270K25.7Very low29.6Very low173 Ų173139.2 Ų139.275%0.75277%0.765SS**  64.2157.8129.2-151.1172.4-175177.10120.8
271R26.8Very low28.9Very low223 Ų223139.7 Ų139.784%0.84277%0.766SS**  trans71.6141.7-178.9-67-168.6179.5-155.21.2114.6
272Q27.5Very low29.1Very low154 Ų154139 Ų13972%0.7276%0.759SS**  cis75.6109.319.8-163.5-169.21.300116.8
273I27.9Very low28.5Very low160 Ų160140.1 Ų140.182%0.82176%0.756SS**  trans-149.5148.4147.9-95.2143000107.1
274D25Very low28.4Very low126 Ų126136.9 Ų136.967%0.67474%0.742SS**  trans-98.8172.8-177.2-82.1-87.2000113.2
275A24.9Very low28.4Very low92 Ų92131.7 Ų131.776%0.7672%0.722SS**  trans106.4151.5140.400000121.1
276Q24.7Very low28.4Very low196 Ų196131.2 Ų131.292%0.91672%0.721SS**  trans76.1126.8166.6-59.7-170.6-13.600119.5
277R31Very low28.6Very low227 Ų227134.9 Ų134.986%0.85772%0.72SS**  trans-88151.3168.9-64.8174166.9-173.8-3.7109.8
278N24.2Very low28.8Very low155 Ų155132.7 Ų132.783%0.82971%0.708SS**  -179.7164108.6-87.2-21.2000111.9
279S31.6Very low28.9Very low107 Ų107136.2 Ų136.275%0.74871%0.712SS**  trans-89.9169.5-178.6-49.50000112.7
280P38.1Very low29Very low117 Ų117137.3 Ų137.376%0.7671%0.709SS**  -151.81569238-19.2000118.5
281V28.3Very low29.3Very low114 Ų114132.7 Ų132.769%0.69170%0.703SS**  27.6141.1126.4-169.80000119.7
282Q31.3Very low30.1Very low125 Ų125128 Ų12858%0.58470%0.701SS**  cis-136.1-116.120.9-148.8-175.433.900115.2K1096Q282-K1096 PolarHBondContact O-N 3.19Å
283Q32Very low30.2Very low116 Ų116129.2 Ų129.254%0.54271%0.707SS.*  cis-158.8134.9-6.9-159.4140.975.600114.9S1094 T1095Q283-S1094 CarbonylContact O-C 2.97Å; Q283-S1094 WeakPolarHBondContact O-CA 3.06Å; Q283-S1094 PolarHBondContact O-N 3.37Å; Q283-S1094 VanDerWaalsContact O-O 3.11Å; Q283-T1095 WeakPolarHBondContact O-CA 3.23Å; Q283-T1095 PolarHBondContact O-N 3.19Å
284T28.4Very low30.1Very low82 Ų82125.3 Ų125.350%0.50369%0.694SS.*  trans59.5103.6155.352.50000126.8G1093 S1094 T1095T284-G1093 CarbonylContact O-C 3.53Å; T284-S1094 WeakPolarHBondContact O-CB 3.44Å; T284-S1094 PolarHBondContact O-N 2.87Å; T284-T1095 VanDerWaalsContact N-CG2 3.35Å
285G27.1Very low30.4Very low32 Ų32125.2 Ų125.233%0.3370%0.697SS.*  trans90.3172.3139.100000120.6S1094G285-S1094 WeakPolarHBondContact O-CB 3.5Å; G285-S1094 PolarHBondContact O-OG 2.98Å; G285-S1094 VanDerWaalsContact O-OG 3.11Å
286N32Very low30.4Very low144 Ų144127.2 Ų127.277%0.7770%0.7SS**  cis-177150.5-6.3-110.440.8000106.1
287E31.7Very low30.8Very low141 Ų141123.4 Ų123.466%0.65969%0.69SS**  cis-155.3-177.9-1.9-46-170.7-174.600111.3
288N33.2Very low31.3Very low127 Ų127117.5 Ų117.568%0.67968%0.681SS**  trans31.6140.4145-50.5-14.5000122.2
289N28.8Very low31.4Very low139 Ų139119.5 Ų119.574%0.74369%0.685SS**  cis-167.6-177.7-0.4-115.336.8000108.6
290D29.3Very low31.2Very low134 Ų134118.3 Ų118.372%0.71769%0.69SS**  cis-178.9164-47.9-174.832.3000109.6
291A31.8Very low30.8Very low75 Ų75118 Ų11862%0.6269%0.691SS**  trans65.5148.315800000121.2
292P44.3Very low31.2Very low124 Ų124117.3 Ų117.381%0.80569%0.689SS**  cis-127.7-156.9-15.644.9-27.8000110.7
293H29Very low30.9Very low180 Ų180118.2 Ų118.283%0.83370%0.696SS**  cis-145.4-110-3.1-168.226.8000113.5
294S25.6Very low30.6Very low79 Ų79119.6 Ų119.655%0.55271%0.706SS**  trans-171.9141.7-160.9-168.90000106.2
295V31.4Very low30.4Very low123 Ų123120.4 Ų120.475%0.74572%0.715SS**  cis70.7115.448.8178.90000114.2V297V295-V297 HydrophobicContact CG1-CG2 4.36Å
296V25.3Very low30.3Very low134 Ų134127.3 Ų127.381%0.81274%0.739SS**  trans-179.1125.2150.7150.10000104.7
297V32.7Very low30Very low116 Ų116125.1 Ų125.170%0.70374%0.735SS**  cis81145.336.8-179.50000111.5V295V295-V297 HydrophobicContact CG1-CG2 4.36Å
298P41.3Very low29.6Very low104 Ų104129 Ų12968%0.67574%0.743SS**  cis-128-178.41.928.1-3.6000116.9
299E26.1Very low29.4Very low196 Ų196126.6 Ų126.692%0.91674%0.741SS**  trans7.8149.7142-52.6174.812700123.4
300G27.1Very low30.1Very low82 Ų82125 Ų12585%0.84574%0.739SS**  trans-168.3110.4160.300000113.1
301S29.6Very low30.2Very low112 Ų112121.4 Ų121.478%0.78373%0.728SS**  trans-111.7-156.4169.965.60000108.3
302P37.5Very low30.2Very low99 Ų99123 Ų12364%0.64373%0.73SS**  cis-119.2-161.6-18.219.67.3000110.5
303I25.3Very low29.6Very low144 Ų144120 Ų12074%0.73872%0.721SS**  -179.8129.374.6-98.4167.5000106.2
304L25Very low29.5Very low145 Ų145114.7 Ų114.776%0.75972%0.715SS**  65.8140.780.5-95.788.6000114.3
305S24.7Very low29.8Very low98 Ų98118 Ų11869%0.68573%0.727SS**  cis-170.4-168.2-12.2-144.50000112
306E24.5Very low31.2Very low177 Ų177116.1 Ų116.183%0.82772%0.717SS**  trans77.1140.5164.5-46.6-155.8145.200115.8
307S25.6Very low31.4Very low98 Ų98114.4 Ų114.469%0.68571%0.71SS**  cis-166.8157.2-8.7-109.30000109
308W23.5Very low31.4Very low223 Ų223114.7 Ų114.785%0.84571%0.707SS**  cis-152.2-150.3-2.7-15459.6000110.2P310W308-P310 HydrophobicContact CZ3-CG 4.21Å
309A29.7Very low31.1Very low77 Ų77118.1 Ų118.164%0.63671%0.714SS**  trans-125.2-15316800000108.6
310P42.5Very low31.5Very low105 Ų105117.4 Ų117.468%0.68271%0.711SS**  cis-125.4-156-6.940.3-18.7000111W308W308-P310 HydrophobicContact CZ3-CG 4.21Å
311A32.7Very low32.4Very low59 Ų59118.3 Ų118.349%0.48870%0.702SS.*  cis-150.5142.21.400000109.7
312T31.3Very low32.6Very low108 Ų108120.2 Ų120.266%0.66370%0.703SS**  59.8131.590.8-52.90000115.2I1116T312-I1116 HydrophobicContact CG2-CG1 4.45Å
313G30.6Very low32.2Very low60 Ų60121.6 Ų121.662%0.61970%0.704SS**  cis168.5-175.62.700000109.5
314G28.5Very low32.6Very low69 Ų69121 Ų12171%0.71170%0.702SS**  cis162160.1-7.600000113.1
315N31.7Very low33Very low149 Ų149118.5 Ų118.580%0.79770%0.697SS**  trans43.3153.2141-67.3-12.8000124.1
316P60.1Low33.3Very low83 Ų83120.8 Ų120.854%0.53970%0.701SS.*  cis-145.9-142.4-38.943.5-23.2000111.4K1113P316-K1113 VanDerWaalsContact CD-NZ 3.3Å
317C29.4Very low33.8Very low98 Ų98117.8 Ų117.866%0.66270%0.695SS**  trans93.8141168.3-61.80000116.2
318N32Very low34Very low123 Ų123118.9 Ų118.966%0.65870%0.698SS**  cis-156.4145.2-3.4-119.30000114.5
319Q35.1Very low34.4Very low175 Ų175117.4 Ų117.482%0.81870%0.697SS**  trans51.7116.1140.8-67.4176.9-20.500123.2
320Q35.1Very low34.5Very low182 Ų182125.1 Ų125.185%0.8571%0.71SS**  trans-73.5-179.1142.6-83.3-176.8-11.200111.7
321P46.9Very low34Very low100 Ų100127.1 Ų127.165%0.64972%0.715SS**  cis-136.8-160.8-29.231.6-8.5000112.9
322L33Very low33.9Very low153 Ų153133.3 Ų133.380%0.80173%0.734SS**  trans71.6153.5156.3-63.8166.4000118.8
323D30.1Very low33.9Very low127 Ų127135.9 Ų135.968%0.67974%0.743SS**  cis-160.1160.3-34.4-15417.5000112.7
324L31.9Very low33.9Very low133 Ų133142.2 Ų142.270%0.69676%0.757SS**  trans30104.9160.3-68.7172.1000123.2
325S33.6Very low34.1Very low91 Ų91142.9 Ų142.964%0.63676%0.756SS**  67.7144.4108.8-57.20000124.9
326N31.7Very low33.9Very low146 Ų146141.5 Ų141.578%0.78176%0.758SS**  trans81.1140.5153.7-58.4-24.5000119.3
327T34.1Very low32.5Very low115 Ų115141.8 Ų141.871%0.70677%0.767SS**  cis-165.6148.7-14.118.70000112.2
328V30.8Very low32.5Very low121 Ų121144.5 Ų144.573%0.73378%0.775SS**  trans73.5113.8142.5171.20000121
329K32.9Very low32.6Very low192 Ų192143.2 Ų143.284%0.83578%0.781SS**  trans58.1113.4147.3-70177.2179.7-176.90121
330R31.3Very low32.3Very low239 Ų239138.9 Ų138.990%0.90278%0.775SS**  -145.4168108.1-107.9177.4-164.8135.66.3110.6
331N30.9Very low32Very low147 Ų147138 Ų13879%0.78678%0.775SS**  trans-88.4149.9166.4-54.4-0.7000107.8
332E30.3Very low31.3Very low189 Ų189139.4 Ų139.488%0.88378%0.777SS**  trans-133127.9167.6-63.7-172.6155.500108.1
333D31.3Very low31.1Very low162 Ų162138.9 Ų138.987%0.86678%0.775SS**  trans-93174.2175.8-70.2-62.5000110.4
334E32.4Very low31.3Very low193 Ų193137 Ų13790%0.90277%0.771SS**  trans-71.8164.4-164.6-63-179.885.300117.2
335A32.5Very low31.2Very low83 Ų83137.3 Ų137.369%0.68677%0.773SS**  trans85.7100.7138.800000121.5
336S26.3Very low31.1Very low120 Ų120139 Ų13984%0.83977%0.771SS**  83.5162110.8-60.10000122.3
337A30.7Very low30.9Very low88 Ų88142.4 Ų142.473%0.72777%0.773SS**  trans87.7101.9160.600000119.5
338D30Very low30.6Very low156 Ų156145.9 Ų145.983%0.83478%0.778SS**  57.5129.1123.5-70.4-47.1000123.8
339A33Very low30.6Very low96 Ų96144.6 Ų144.679%0.79377%0.774SS**  62.8153.9129.300000121.2
340A28.9Very low31.3Very low84 Ų84141.3 Ų141.369%0.69477%0.773SS**  cis-171.6177.7-25.700000107.6
341L30.6Very low31Very low162 Ų162133.4 Ų133.485%0.84877%0.765SS**  trans71.4142162.4-62.6-179.7000116.5
342D30.7Very low30.7Very low130 Ų130135.2 Ų135.270%0.69577%0.769SS**  cis-163.4179.7-10-172.421.3000110.3
343L30.3Very low30.4Very low143 Ų143131.5 Ų131.575%0.74976%0.764SS**  trans81.6136.4160.7-57.5-178.6000117.7
344S33.4Very low30.1Very low87 Ų87131 Ų13161%0.60876%0.762SS**  cis-164.1133.4-9.3-169.70000114.5
345L29.6Very low30.4Very low140 Ų140127 Ų12773%0.73375%0.752SS**  trans55.7134.3141-67.4175.6000125.7
346Q30.8Very low30Very low125 Ų125130.4 Ų130.458%0.58476%0.756SS**  trans80.1118.7139.8-73.1-175.370.300120.4
347R29Very low30Very low218 Ų218129.9 Ų129.982%0.82375%0.751SS**  79.6149.597.3-72.7-178.8-172.5178.7-2.6114.2
348K27.2Very low29.8Very low189 Ų189135.6 Ų135.682%0.82276%0.76SS**  cis-167.1156.2-15.9175.181.4174.3-174.90106.2
349S31.3Very low29.6Very low93 Ų93130.9 Ų130.965%0.6575%0.748SS**  trans-69.8179.4171.855.80000112.9
350P46.1Very low29.4Very low123 Ų123131.5 Ų131.580%0.79975%0.747SS**  cis-146.9-171.515.945.5-25.1000118.4
351G25.8Very low29.3Very low73 Ų73134.6 Ų134.675%0.75375%0.751SS**  trans82.7169.1156.600000117.6
352E24.9Very low29.3Very low185 Ų185131.2 Ų131.286%0.86474%0.741SS**  cis-169.1154.4-24.2-170.5162.2-156.100109
353S24.6Very low29Very low112 Ų112132.1 Ų132.178%0.78375%0.746SS**  trans64.3151.8163.760.20000122.7
354D23.3Very low28.9Very low151 Ų151131.6 Ų131.681%0.80775%0.749SS**  trans-62.7179.2156.3-69.2-73.8000112
355P40.1Very low28.5Very low109 Ų109131.2 Ų131.271%0.70875%0.751SS**  cis-148.617316.247.3-28.1000119.6
356M23.3Very low28.2Very low154 Ų154131.8 Ų131.876%0.75975%0.75SS**  trans46.2118.2131.1-171.6163.848.400123.5
357C25.9Very low28.2Very low110 Ų110133 Ų13374%0.74375%0.753SS**  trans33.7139.9135.6-53.30000123.7
358K26.3Very low27.9Very low207 Ų207128.2 Ų128.290%0.975%0.748SS**  -178.8155.6113.9-93.6148.9-171.6173.30110.7
359G26.4Very low27.8Very low57 Ų57126 Ų12659%0.58874%0.743SS**  cis165.9-162.9-300000112.5
360S28.8Very low27.4Very low110 Ų110129.3 Ų129.377%0.76975%0.751SS**  trans79.7137.4176.378.50000117.4
361N27.9Very low26.4Very low148 Ų148127.6 Ų127.679%0.79174%0.741SS**  cis-162.1146.8-5.9-114.72.1000113.9
362S29.7Very low26.5Very low91 Ų91128.4 Ų128.464%0.63674%0.736SS**  trans46.6136.3140.667.90000121.6
363N24.7Very low26.5Very low150 Ų150128.1 Ų128.180%0.80273%0.734SS**  cis-147.9177.86.6-69.6-54.6000108.2
364V27.9Very low26.6Very low132 Ų132130.3 Ų130.380%0.873%0.732SS**  cis-154.7147.331.91740000110.7
365A24.8Very low26.8Very low79 Ų79130.2 Ų130.265%0.65373%0.727SS**  trans39.1116.4159.500000120.5
366E24.6Very low26.1Very low152 Ų152131.4 Ų131.471%0.7173%0.726SS**  70.5137.178.3-77.7-156.2121.700114.6
367K28.8Very low26.3Very low150 Ų150130.6 Ų130.665%0.65272%0.723SS**  cis-154.9144.422.5-121.9165.8175.2110.20109.9
368V24.1Very low26.3Very low118 Ų118130.2 Ų130.272%0.71572%0.722SS**  62.9135.4101.5160.50000114.5
369I24.3Very low26.3Very low142 Ų142128.4 Ų128.473%0.72872%0.716SS**  cis-165.2-175-8.5-117.7171.4000108.2
370M24Very low26.3Very low163 Ų163131.8 Ų131.880%0.80373%0.725SS**  trans-31.4166.7158.5-56.5173.266.400116.6
371S25.2Very low26.1Very low86 Ų86133.2 Ų133.260%0.60172%0.724SS**  cis-174.6174.6-2.938.90000109.7
372S26.6Very low27.1Very low91 Ų91129.9 Ų129.964%0.63671%0.711SS**  trans61.1164.7142.756.20000121
373E24.8Very low27Very low178 Ų178128.6 Ų128.683%0.83269%0.694SS**  trans67.9117.3170.4-65.1168167.200114.3
374E26.8Very low27.2Very low158 Ų158125.8 Ų125.874%0.73868%0.683SS**  81.7125.167-82.7-143.3177.100115.5
375Q27.1Very low27.9Very low149 Ų149124.8 Ų124.870%0.69668%0.679SS**  trans77.7140.1149.9-68.4-174.748.400122.5
376I26.6Very low28.2Very low134 Ų134126.3 Ų126.369%0.68768%0.68SS**  trans98.6106.6135.8-84.4165.2000121.5
377I26.6Very low28.4Very low138 Ų138124.9 Ų124.971%0.70868%0.682SS**  trans78.297.3135.2-64.4-179.6000120.9
378S25.8Very low28.6Very low102 Ų102123.9 Ų123.971%0.71369%0.688SS**  69.4165.1122.996.70000120
379H27.3Very low28.7Very low168 Ų168125 Ų12578%0.77869%0.69SS**  cis-161.4179.3-8.3-149.1-111.4000110.7
380V26.6Very low28.9Very low129 Ų129125.1 Ų125.178%0.78269%0.691SS**  trans79.1140.2165.2-177.70000117.6
381N23.9Very low29.1Very low140 Ų140123.4 Ų123.475%0.74969%0.69SS**  trans-146.7-138.2-170.3-160.417.6000105.1
382P49.3Very low29.3Very low77 Ų77127.1 Ų127.150%0.570%0.702SS.*  -90.7-130.7-61.98.410.7000112.6
383E27.1Very low29.4Very low64 Ų64129.7 Ų129.730%0.29971%0.714SS.*  cis-147.6-179.812.9-85.4-176.3-141.500113.5A507 S508 A509 N510E383-A507 HydrophobicContact CB-CB 3.87Å; E383-S508 WeakPolarHBondContact OE2-CA 3.29Å; E383-S508 PolarHBondContact OE2-N 2.83Å; E383-A509 VanDerWaalsContact OE1-CA 3.32Å; E383-A509 WeakPolarHBondContact OE1-CA 3.46Å; E383-A509 VanDerWaalsContact OE2-C 3.3Å; E383-A509 WeakPolarHBondContact OE2-CA 3.2Å; E383-A509 PolarHBondContact OE2-N 2.82Å; E383-N510 PolarHBondContact OE1-N 2.99Å; E383-N510 PolarHBondContact OE1-ND2 2.78Å; E383-N510 PolarHBondContact OE2-N 3.46Å
384T29.6Very low29.4Very low92 Ų92127.8 Ų127.856%0.56472%0.715SS**  trans-123.6177.2-16261.50000112.6
385P42.8Very low29.5Very low110 Ų110124 Ų12471%0.71472%0.719SS**  -111157.796.5-14.533.3000114.6
386V29.8Very low29.4Very low112 Ų112122.3 Ų122.368%0.67972%0.723SS**  cis71.411029.2170.70000112.1
387V29.6Very low29.3Very low122 Ų122122.9 Ų122.974%0.73973%0.728SS**  cis-151.7175.93.6-101.80000108.2
388T32.7Very low29.3Very low128 Ų128122.2 Ų122.279%0.78573%0.729SS**  cis-156.4145.719.7-22.90000110.8
389D26Very low29.5Very low142 Ų142123.3 Ų123.376%0.75973%0.732SS**  trans-163.4165.8131.4-141.9-18.2000111.2
390L28.3Very low29.5Very low144 Ų144121.7 Ų121.775%0.75473%0.729SS**  trans-9.6132.4170.1-67.5152.9000121.1
391T27.8Very low29.5Very low128 Ų128123.1 Ų123.179%0.78573%0.727SS**  176.4126.3118.726.70000111.5
392L31.1Very low29.7Very low163 Ų163123.5 Ų123.585%0.85373%0.728SS**  55.2120.395.7-72.9176.4000117.5
393V27.4Very low28.5Very low145 Ų145128 Ų12888%0.87974%0.742SS**  -164.5160128.6133.40000110.9
394T25.6Very low28.5Very low139 Ų139133 Ų13385%0.85377%0.766SS**  trans-85.4153.3-173.449.20000115.1
395G27.6Very low28.3Very low79 Ų79135.1 Ų135.181%0.81478%0.778SS**  trans-168.5124.816100000112.4
396S26.1Very low27.6Very low113 Ų113133.9 Ų133.979%0.7978%0.777SS**  trans-103.7142.7169.2-63.60000109.7
397D24.2Very low27.5Very low146 Ų146137.4 Ų137.478%0.78179%0.786SS**  169.4118.9123.4-87.9-4.3000110.3
398V27.7Very low27.5Very low123 Ų123134 Ų13475%0.74578%0.776SS**  94.415691.91690000112.1
399V28.9Very low27.4Very low126 Ų126135.5 Ų135.576%0.76478%0.778SS**  trans77.8110.2-174.3-160.80000112.5
400N27.7Very low27.4Very low134 Ų134134.1 Ų134.172%0.71778%0.775SS**  58.814077.8-81.9-3000113.9
401Q26.5Very low27.4Very low158 Ų158138.5 Ų138.574%0.73878%0.783SS**  cis-140.5155-0.8-98145.811.900107.2
402L27.8Very low27.3Very low149 Ų149135.4 Ų135.478%0.7878%0.776SS**  58.3134.570.8-166.363.3000115.3
403E23.9Very low27.2Very low170 Ų170135.2 Ų135.279%0.79478%0.775SS**  trans63.1120.5178.6-77.2162.8-157.300116.4
404H26.9Very low27.1Very low171 Ų171132.4 Ų132.479%0.79277%0.767SS**  cis87.2127.615.7-142.9-65.4000115.4
405V24.9Very low27.5Very low136 Ų136133.5 Ų133.582%0.82477%0.767SS**  trans73.8149.1178.2-168.30000115.1
406A28.3Very low28.1Very low84 Ų84135.8 Ų135.869%0.69477%0.768SS**  cis-172.4176.4-41.500000107
407E27.9Very low28.8Very low185 Ų185135 Ų13586%0.86476%0.76SS**  cis-157.6-173.2-3.8-147-137-9800110
408G29.6Very low29Very low51 Ų51135.4 Ų135.453%0.52676%0.762SS.*  trans95.5150.2162.600000117.1
409L30.3Very low29.2Very low159 Ų159134.9 Ų134.983%0.83276%0.764SS**  cis-144.6132-0.3-77.7173.1000113.3
410V27.8Very low29.2Very low113 Ų113136.3 Ų136.369%0.68577%0.766SS**  trans58.1114.8131.4-176.70000121.3
411Y27.7Very low29.1Very low237 Ų237135.3 Ų135.393%0.92977%0.765SS**  173132.8118-102-76.1000108.2
412G26.5Very low29.1Very low63 Ų63135.7 Ų135.765%0.64977%0.767SS**  cis175.3165.3-10.300000111.8
413L27.2Very low29.2Very low159 Ų159133.7 Ų133.783%0.83277%0.765SS**  trans90.7122.4168.9-56.1176000121.7
414A26Very low30.5Very low86 Ų86131.1 Ų131.171%0.71176%0.763SS**  trans70100.414200000122
415L34.8Very low30.6Very low162 Ų162127.2 Ų127.285%0.84876%0.761SS**  trans-100.5166.9151.7-64169.7000109.7
416P39.3Very low31Very low127 Ų127126 Ų12683%0.82576%0.758SS**  -140.9171.992.730-11000115.1
417P41.5Very low31.2Very low97 Ų97130.7 Ų130.763%0.6377%0.771SS**  trans-130.5-161.2-156.843.5-27000115.7
418N27.9Very low31Very low154 Ų154126 Ų12682%0.82476%0.764SS**  trans85.4165156.3-68.9-5.2000120.1
419S32Very low31.9Very low111 Ų111128.9 Ų128.978%0.77677%0.773SS**  trans-132.2169.9-167.8-66.60000111.6
420L28Very low31.7Very low157 Ų157129.1 Ų129.182%0.82278%0.775SS**  trans105.2133.6159-57171.4000119.6
421T25.9Very low31.8Very low112 Ų112127.4 Ų127.469%0.68777%0.772SS**  trans73.8113.1143.144.70000124.9
422Q26.9Very low31.9Very low167 Ų167124 Ų12478%0.7877%0.769SS**  73.7102.8127.6-71.9175.8-73.700124.9
423S30.8Very low32Very low107 Ų107128.6 Ų128.675%0.74877%0.774SS**  69.3174.5126.8770000119.6
424P51.2Low32.6Very low115 Ų115126.5 Ų126.575%0.74777%0.77SS**  cis-136.3-168.9-1.443.9-26.3000116.3
425A28.5Very low32.5Very low90 Ų90127.2 Ų127.274%0.74477%0.769SS**  trans72.1163.7156.500000120.3
426S32.2Very low33.4Very low110 Ų110123.6 Ų123.677%0.76976%0.755SS**  cis-176.8148.5-36.9-85.90000109.8
427L32.5Very low33Very low182 Ų182125.9 Ų125.995%0.95376%0.755SS**  trans169.2165144.8-95166.6000113.8
428A25.6Very low32.3Very low87 Ų87127 Ų12772%0.71976%0.764SS**  trans-144-160.2-176.300000109.4
429P46.7Very low32.3Very low112 Ų112123.8 Ų123.873%0.72776%0.758SS**  cis-142.1-154.7-1.939.6-15.5000115.7
430L27.1Very low32.1Very low164 Ų164126.3 Ų126.386%0.85976%0.762SS**  trans96.5145.6165.3-54.3169.5000118.4
431A30.7Very low32.1Very low76 Ų76122.2 Ų122.263%0.62875%0.751SS**  cis-172.8158.6-28.700000112.4
432L28.5Very low32.2Very low165 Ų165126.7 Ų126.786%0.86476%0.761SS**  trans76.3102.5154.9-68.2151.9000123
433E28.3Very low32.2Very low161 Ų161123.2 Ų123.275%0.75276%0.761SS**  7.7165.4116-72-60.3121.600122.1
434P39.9Very low32Very low115 Ų115123.7 Ų123.775%0.74776%0.764SS**  cis-136.1-169.51.2260.5000117.5
435S24.2Very low32.3Very low100 Ų100124.2 Ų124.270%0.69977%0.768SS**  trans-89.9-155.8-179.859.30000113.8
436P53.9Low32.4Very low87 Ų87127.9 Ų127.957%0.56577%0.773SS**  cis-147.1-171.3-2.444.6-24.1000118.7
437Q30.8Very low32.2Very low174 Ų174127.1 Ų127.181%0.81376%0.764SS**  trans68.8157.1148.4-75.1156.340.400120.2
438C26.5Very low32.3Very low121 Ų121125.5 Ų125.582%0.81875%0.751SS**  cis-152.9179.1-1.2-134.50000114.5
439A27.9Very low32.4Very low86 Ų86126.7 Ų126.771%0.71175%0.749SS**  trans-77-169.1-173.300000114.7
440I28.4Very low31.6Very low165 Ų165127.8 Ų127.885%0.84675%0.754SS**  cis-150.8165.428-35.9161.6000111.7
441A27.1Very low31.6Very low71 Ų71127.5 Ų127.559%0.58775%0.752SS**  trans-76.3173.1168.600000112.6
442F28.2Very low32.3Very low205 Ų205129.2 Ų129.290%0.89976%0.757SS**  -167.4-177.850.6-96.2-76000113.6
443A27.3Very low32.3Very low94 Ų94126.2 Ų126.278%0.77776%0.756SS**  trans96.7159.8154.100000119.9
444S27.3Very low32.4Very low117 Ų117123 Ų12382%0.81876%0.757SS**  trans-159.9-171-168.8-63.30000109.9
445P55.6Low32.6Very low127 Ų127122.9 Ų122.983%0.82576%0.756SS**  -122179.4-74.739.1-25.9000113
446I30.8Very low33Very low167 Ų167123 Ų12386%0.85676%0.757SS**  trans-143.1179.6169.3-149.5162.7000112.6
447T29Very low31.9Very low94 Ų94125.8 Ų125.858%0.57777%0.767SS**  trans-127.6-174.4-144.551.50000115.8
448H34Very low31.8Very low147 Ų147124 Ų12468%0.68176%0.761SS**  trans69.9163.4160.6-58.8-47.6000119.6K4K4-H448 PolarHBondContact NZ-O 2.83Å
449T27.9Very low32Very low112 Ų112124.5 Ų124.569%0.68776%0.761SS**  cis-157.3172.2-48.9-61.20000106.4
450V30.7Very low32.1Very low135 Ų135125.9 Ų125.982%0.81876%0.76SS**  trans94.5151159.9-165.80000117.9
451L26.2Very low32.1Very low158 Ų158125.7 Ų125.783%0.82776%0.76SS**  trans-113.3-164.3-173.7-92.1151.8000109.4
452P46.6Very low32.3Very low112 Ų112128 Ų12873%0.72777%0.767SS**  cis-131.5-168-15.625.5-0.7000114.1
453A28Very low33.5Very low103 Ų103123.8 Ų123.885%0.85176%0.76SS**  trans106.5148.9143.400000119.9
454A30.7Very low34.6Very low93 Ų93125 Ų12577%0.76976%0.76SS**  trans-117.7-169.9-179.600000108.9
455P44.6Very low35.6Very low112 Ų112124.3 Ų124.373%0.72775%0.753SS**  cis-146.1178.634.842.9-21.6000118.2
456S31.1Very low34.3Very low102 Ų102123.2 Ų123.271%0.71375%0.748SS**  trans26144.5144.2-49.80000121.7
457L31.1Very low34.2Very low147 Ų147122.9 Ų122.977%0.7775%0.747SS**  -172.3150.467.3-79.2166.8000113
458I29.8Very low34.2Very low136 Ų136123.3 Ų123.370%0.69775%0.754SS**  trans46.6128135-54.8176.4000118.1
459T29.2Very low34.1Very low132 Ų132123.5 Ų123.581%0.8176%0.76SS**  -165.1142.491.3-59.90000115.4
460V30.1Very low34.9Very low115 Ų115123.7 Ų123.770%0.69776%0.763SS**  trans-54.9143.91711760000115.2
461L29.9Very low34.9Very low160 Ų160121.8 Ų121.884%0.83876%0.756SS**  -175.6175.8121.9-117.4104.2000114.1
462T29.6Very low35Very low121 Ų121121.6 Ų121.674%0.74276%0.756SS**  trans-111.2165.9-168.433.10000114.4
463P54Low34.4Very low116 Ų116125 Ų12575%0.75376%0.762SS**  trans-80.6-164.717839.5-41.3000111.4
464P50.6Low34.9Very low118 Ų118125.1 Ų125.177%0.76675%0.754SS**  cis-127.3-141.81.939.5-15.8000110.8
465P48.7Very low34.7Very low104 Ų104128.4 Ų128.468%0.67576%0.757SS**  cis-138.3-176.3-1441.7-23.4000117.1
466S28Very low34.3Very low104 Ų104131.6 Ų131.673%0.72776%0.762SS**  trans72.7160.2150.274.70000119.2
467L27.9Very low34.2Very low160 Ų160133.3 Ų133.384%0.83877%0.768SS**  cis-140.3-178.85.3-154.952.8000106.7
468S29.4Very low34.1Very low103 Ų103133.7 Ų133.772%0.7277%0.77SS**  cis-157.9169.618.4-51.10000111.9
469N32.1Very low34.1Very low151 Ų151131.6 Ų131.681%0.80777%0.773SS**  trans-155.7147.2161.1-174.625.9000109.6
470P44.4Very low35.1Very low115 Ų115130.4 Ų130.475%0.74777%0.767SS**  trans-133.8141.1152.136.4-22.6000114.6
471S30.5Very low34.9Very low95 Ų95131.2 Ų131.266%0.66477%0.768SS**  trans-77.3151162.3161.20000110.7
472N28.6Very low34.9Very low155 Ų155130.8 Ų130.883%0.82977%0.765SS**  178.7137.6121.7-85.8-11000114.4
473Q35Very low34.8Very low182 Ų182129.9 Ų129.985%0.8576%0.763SS**  trans-82.9172.1153.8-76.4-175.2-12.900108.7
474P37.9Very low34.7Very low106 Ų106130.4 Ų130.469%0.68877%0.767SS**  cis-157.1-161.537.541.7-16.2000118.6
475I25.4Very low33.8Very low162 Ų162133.3 Ų133.383%0.83177%0.77SS**  trans89.5153.4159.3-66.6165000118.2
476Q36.8Very low33.7Very low180 Ų180133.8 Ų133.884%0.84177%0.773SS**  trans-125.3160.3-160.8-52.6156.6-39.600112
477V29.5Very low33.8Very low138 Ų138136.2 Ų136.284%0.83678%0.777SS**  trans-143.6151162-174.60000111.4
478L28Very low33.9Very low155 Ų155134.1 Ų134.181%0.81277%0.771SS**  trans-55.2153.7-175.1-67.960.8000114.8
479A30.5Very low33.8Very low91 Ų91136.8 Ų136.875%0.75278%0.775SS**  cis80.4156.33400000115.1
480P50.3Low33.8Very low107 Ų107134.7 Ų134.770%0.69577%0.771SS**  cis-135.3-180-18.439.8-22.1000115.5
481N25.6Very low33.2Very low133 Ų133135.3 Ų135.371%0.71177%0.773SS**  158131.3128.3-86.5-26.5000119.4
482I29.2Very low33Very low151 Ų151138 Ų13877%0.77478%0.775SS**  trans60.9146.8130.7-48.1164.1000121.7
483S28.4Very low33.1Very low102 Ų102137.2 Ų137.271%0.71377%0.771SS**  trans-86.9-168.5173.254.60000113.8
484P50.8Low33.8Very low127 Ų127133.5 Ų133.583%0.82576%0.763SS**  -150.7176.390.239.6-21.2000116
485E31.8Very low33.3Very low179 Ų179136.8 Ų136.884%0.83677%0.773SS**  trans-145144.7171.8-179.6-175.7-119.900111.2
486P47.2Very low33.3Very low113 Ų113135.8 Ų135.873%0.73477%0.77SS**  trans-140.2170.3152.439.7-26.3000114.1
487L30.6Very low32.8Very low156 Ų156131.9 Ų131.982%0.81776%0.762SS**  cis-177.5165-30.2-88.5-166.6000105.6
488V29.5Very low32.8Very low115 Ų115130.4 Ų130.470%0.69776%0.758SS**  -169.5150.2-51.269.10000107.5
489I28.2Very low32.7Very low160 Ų160131 Ų13182%0.82176%0.757SS**  trans-175.2145.4145.3-96.2153.6000112.3
490C31.5Very low32.5Very low107 Ų107131 Ų13172%0.72375%0.75SS**  trans-37.4173.3-178.1-49.10000120
491T31Very low31.2Very low127 Ų127132.1 Ų132.178%0.77975%0.75SS**  cis-156.4150.136.9400000116.4
492E27.9Very low31.2Very low151 Ų151132.7 Ų132.771%0.70675%0.753SS**  trans47.4110.4139.2-57.2-52126.800125
493N30.6Very low31.1Very low140 Ų140131.2 Ų131.275%0.74975%0.751SS**  66162.7103.3-91-31000123.6
494P49.3Very low31.1Very low104 Ų104132.9 Ų132.968%0.67576%0.757SS**  -132.7-173.9-123.646.1-31.2000116
495L26.1Very low29.9Very low174 Ų174130.2 Ų130.291%0.91175%0.745SS**  trans-173.2-171.8137.2-105.3167.4000113.9
496N27.2Very low29.7Very low142 Ų142131 Ų13176%0.75975%0.746SS**  trans-135.5151.6-153.5-135.9-12.8000114.8
497S25.6Very low28.6Very low97 Ų97127.1 Ų127.168%0.67872%0.724SS**  trans67.5141.8146.667.80000124.5
498S28.6Very low28.5Very low108 Ų108124.8 Ų124.876%0.75572%0.721SS**  trans73159.7150.586.50000117.8
499Q27.4Very low28.5Very low167 Ų167123.4 Ų123.478%0.7872%0.721SS**  cis-159.1170.6-17.7-134.5178.7-92.700110.6
500C25.8Very low28.4Very low90 Ų90121.2 Ų121.261%0.60871%0.711SS**  trans53.7119.1150.7-76.10000123.1
501D22.6Very low28.3Very low132 Ų132121.9 Ų121.971%0.70672%0.717SS**  48.6116.2115.8-64.6-53.6000123.2
502L25.8Very low28.1Very low145 Ų145119.9 Ų119.976%0.75971%0.713SS**  77.3135.2122.5-71.6168.5000123.5
503T26.5Very low28.1Very low120 Ų120119.5 Ų119.574%0.73672%0.716SS**  trans81143.2142.547.70000122.5
504T28.6Very low27.9Very low137 Ų137119.4 Ų119.484%0.8471%0.714SS**  trans87.2134.2158.2-38.40000116.5
505A27.2Very low26.8Very low70 Ų70120.2 Ų120.258%0.57972%0.717SS**  cis-168.7176.5-30.700000109.4
506F26.5Very low26.7Very low196 Ų196117.7 Ų117.786%0.8671%0.709SS**  trans59.2105.5160.6-66.7-72.9000120.6
507A25.2Very low26.6Very low31 Ų31118.1 Ų118.126%0.25671%0.71SS.*  39.4140.9108.900000121.3E383E383-A507 HydrophobicContact CB-CB 3.87Å
508S27.9Very low26.7Very low108 Ų108118.9 Ų118.976%0.75572%0.715SS**  trans106.9133.7179.8-490000112.3E383E383-S508 WeakPolarHBondContact OE2-CA 3.29Å; E383-S508 PolarHBondContact OE2-N 2.83Å
509A29Very low26.7Very low85 Ų85121.5 Ų121.570%0.70272%0.716SS**  cis-140.4151.65.900000113.4E383E383-A509 VanDerWaalsContact OE1-CA 3.32Å; E383-A509 WeakPolarHBondContact OE1-CA 3.46Å; E383-A509 VanDerWaalsContact OE2-C 3.3Å; E383-A509 WeakPolarHBondContact OE2-CA 3.2Å; E383-A509 PolarHBondContact OE2-N 2.82Å
510N26.8Very low27.2Very low114 Ų114118.7 Ų118.761%0.6171%0.712SS**  trans-49145.8163.4-78.7-93.5000113.2E383E383-N510 PolarHBondContact OE1-N 2.99Å; E383-N510 PolarHBondContact OE1-ND2 2.78Å; E383-N510 PolarHBondContact OE2-N 3.46Å
511S29.1Very low27.3Very low121 Ų121121 Ų12185%0.84672%0.718SS**  trans-160.1128.4133.457.20000111.9
512A27.1Very low27.6Very low86 Ų86121.2 Ų121.271%0.71172%0.719SS**  trans-110.4151.2156.400000109.2
513N28.4Very low28.6Very low143 Ų143118.9 Ų118.977%0.76571%0.713SS**  trans83.1117.1142.2-87-10.5000123.3
514I24.8Very low28.8Very low138 Ų138119.4 Ų119.471%0.70872%0.716SS**  trans87155.7134.1-50.4155.7000118.6
515V26.1Very low28.8Very low121 Ų121120 Ų12073%0.73371%0.713SS**  trans84.792.8173-160.90000113.8
516T24.5Very low28.9Very low120 Ų120123.5 Ų123.574%0.73672%0.722SS**  cis83.8149.848-50.90000113.5
517L25.1Very low29Very low152 Ų152121 Ų12180%0.79672%0.717SS**  trans101.5134.3-177.1-57.9168.7000112.8
518S28.6Very low29.7Very low112 Ų112124.8 Ų124.878%0.78374%0.739SS**  cis-133148.822.5-600000115.1
519Q28.4Very low29.6Very low163 Ų163123 Ų12376%0.76273%0.727SS**  trans-78166.1160.4-145.3-179.4-1200109.4
520P38.2Very low29.8Very low109 Ų109126.9 Ų126.971%0.70873%0.729SS**  -150.2153.987.938.6-20.6000117
521L26.3Very low29.9Very low137 Ų137126.6 Ų126.672%0.71773%0.732SS**  trans27.7149.9134.2-71.986.6000122.4
522D28.6Very low29.9Very low138 Ų138129.5 Ų129.574%0.73873%0.729SS**  cis-170.5-150.8-14.9-161.931.6000109.1
523P48.1Very low30.1Very low96 Ų96132.6 Ų132.662%0.62373%0.733SS**  -114.1165.5-103.938.7-25.2000117
524T30.2Very low30.2Very low131 Ų131131 Ų13180%0.80473%0.729SS**  trans-154.3124.4137.744.10000113.4
525L29.2Very low30.2Very low149 Ų149130.5 Ų130.578%0.7873%0.728SS**  trans20.9138.5131-50.8178000119.2
526N28.9Very low30.4Very low143 Ų143131.2 Ų131.277%0.76572%0.723SS**  cis-158.3159.76.7-136.2-16.4000113.8
527L29.3Very low30.5Very low145 Ų145132 Ų13276%0.75972%0.722SS**  trans-79176.4164.5-128.277.7000109.7
528P40.1Very low30.5Very low110 Ų110129 Ų12971%0.71472%0.719SS**  -155.6158.854.446.6-25.6000120.2
529S25.3Very low30.5Very low71 Ų71130.5 Ų130.550%0.49772%0.717SS.*  trans32.4138.9138.764.90000121.7
530H33.3Very low30.5Very low165 Ų165129.1 Ų129.176%0.76472%0.715SS**  -171.8144.775.5-93-69.2000114.4
531V29.3Very low30.1Very low109 Ų109129.8 Ų129.866%0.66172%0.717SS**  trans62.2116.9130.2171.60000119
532F28.3Very low30.8Very low181 Ų181129.4 Ų129.479%0.79472%0.723SS**  85.8138.654.7-95.9-65.5000114.7
533L31.1Very low30.7Very low151 Ų151130.6 Ų130.679%0.79173%0.726SS**  trans68.2163.5156.7-57.5155.7000116
534T31.4Very low29.8Very low109 Ų109131.4 Ų131.467%0.66973%0.729SS**  cis-162.9163.5-30-91.50000110.1
535D24.8Very low29.7Very low129 Ų129133.3 Ų133.369%0.6973%0.729SS**  trans-40-176.7159-165.715000117.3
536Q30.2Very low29.9Very low135 Ų135131.9 Ų131.963%0.63173%0.731SS**  trans83.6113.8172.3-49.5-68.220.700116.3
537I26.1Very low30.2Very low138 Ų138129.6 Ų129.671%0.70873%0.732SS**  87.199.669.9-72.9-168.9000114.8
538A25.3Very low31Very low89 Ų89127.9 Ų127.974%0.73673%0.73SS**  trans55.7169.4130.500000124.3
539L29.1Very low30.8Very low142 Ų142129.3 Ų129.374%0.74374%0.736SS**  trans98.9101.4160.3-59.1165.2000119.7
540N26.7Very low31.3Very low134 Ų134129.6 Ų129.672%0.71774%0.738SS**  75.3118.6124.5-62.10.1000122.9
541T31.6Very low31.5Very low123 Ų123129.5 Ų129.576%0.75574%0.738SS**  20.4139125.834.30000120.7
542P40.8Very low31.9Very low129 Ų129130.9 Ų130.984%0.83875%0.746SS**  -133.5-172.699.739.3-30.2000115.6
543M25.4Very low31.9Very low163 Ų163127 Ų12780%0.80374%0.741SS**  trans-97.2159.2-156.2-56.3170.454.800115.8
544V30.1Very low32Very low114 Ų114129.1 Ų129.169%0.69175%0.745SS**  trans56.2132130.6170.30000118
545E27.3Very low33Very low171 Ų171128.7 Ų128.780%0.79974%0.744SS**  cis-157.1169.832.5-152.7154.7-16600114.1
546S33.3Very low34Very low119 Ų119128.6 Ų128.683%0.83275%0.75SS**  trans77.8150.3161.5-62.50000120.4
547A35.6Very low33.8Very low94 Ų94127.7 Ų127.778%0.77775%0.754SS**  trans-111.2-172.3-17100000110.8
548P46.5Very low33.8Very low110 Ų110127.1 Ų127.171%0.71476%0.757SS**  cis-140.7158.419.441.4-21.9000119.1
549V34.5Very low34Very low139 Ų139128.6 Ų128.684%0.84276%0.757SS**  trans68.7148.1152.9163.40000116.9
550S36.8Very low33.8Very low77 Ų77130 Ų13054%0.53876%0.764SS.*  cis-178158.3-21.9-82.30000106.5
551E36.5Very low34Very low163 Ų163130.2 Ų130.276%0.76277%0.765SS**  cis-152.8177.1-9.8-136.56688.700109.5
552V38.3Very low33.8Very low138 Ų138131.3 Ų131.384%0.83677%0.766SS**  trans-139.8172.7-172.4-60.30000112.1
553S27.5Very low33.3Very low100 Ų100129.7 Ų129.770%0.69976%0.758SS**  cis-156176.612.1-156.10000113.9
554F35Very low33.5Very low195 Ų195129.1 Ų129.186%0.85576%0.758SS**  trans-133.1179.7167.1-73.5-80.8000109
555P52.1Low33.5Very low101 Ų101131.7 Ų131.766%0.65677%0.767SS**  cis-116.2-140.8-2.637.7-18.9000112.2
556P44.8Very low33.6Very low127 Ų127132 Ų13283%0.82577%0.766SS**  -140.2157.6104.739.9-28.8000115.4
557T26.6Very low33.3Very low115 Ų115134.3 Ų134.371%0.70677%0.768SS**  trans-159.1136.9-177-45.80000112.9
558V26.7Very low32.9Very low126 Ų126133.7 Ų133.776%0.76476%0.762SS**  trans30.7141.6148.8179.40000120.5
559T27.9Very low32.2Very low121 Ų121133.2 Ų133.274%0.74276%0.761SS**  cis177.5160.2-41.3410000107.5
560L25.1Very low32Very low172 Ų172134.3 Ų134.390%0.90176%0.763SS**  trans-141.4158.6173.5-102.2174.9000115.1
561N31Very low31.7Very low138 Ų138137 Ų13774%0.73878%0.776SS**  trans-129.6158.3-170.4-62.4-44.3000112.6
562D27.6Very low31.5Very low145 Ų145135.9 Ų135.978%0.77578%0.78SS**  169.8132.7120.7-99.8-44.2000110.7
563S30.1Very low30.9Very low96 Ų96137 Ų13767%0.67178%0.781SS**  63134.385.6-550000114.3
564L31.2Very low31.1Very low151 Ų151139.3 Ų139.379%0.79178%0.784SS**  cis-167.8147-2.8-128.2174.8000108.8
565L29.3Very low30.9Very low167 Ų167137.9 Ų137.987%0.87478%0.78SS**  trans-159.4169.1155.4-114.9178.2000113.3
566K29.5Very low29.8Very low179 Ų179138.5 Ų138.578%0.77879%0.785SS**  trans-119.4147.5-156-62.7176.2178.7172.60115.7
567L27Very low29.3Very low167 Ų167138.4 Ų138.487%0.87478%0.782SS**  trans72.9133.2142.4-111.370.5000123
568A27.7Very low29.7Very low81 Ų81140.8 Ų140.867%0.66979%0.789SS**  98106.4129.900000121.7
569S30.7Very low29.7Very low99 Ų99139.5 Ų139.569%0.69279%0.792SS**  trans74.6117.5140.245.70000122.2
570N30.2Very low29.9Very low162 Ų162140.8 Ų140.887%0.86679%0.793SS**  trans73.362136.1-56.1-11.9000119.5
571T30.2Very low30.1Very low134 Ų134140.5 Ų140.582%0.82279%0.787SS**  trans-124.8120.315752.60000111
572V32.1Very low30.1Very low140 Ų140138.3 Ų138.385%0.84879%0.788SS**  trans-82.8122.6173175.90000109.1
573L26.2Very low30.9Very low162 Ų162137.6 Ų137.685%0.84879%0.791SS**  trans-70.4128.7172.4-92.3157000110.7
574I33Very low30.9Very low148 Ų148136.6 Ų136.676%0.75980%0.797SS**  trans-113106.3161.6-61.6177.1000105.7
575E28.9Very low30.7Very low165 Ų165134.6 Ų134.677%0.77180%0.795SS**  trans-83.7129.1-177.7-166.8169.2-162.200110.4T577E575-T577 HydrophobicContact CG-CG2 4.49Å
576C29.2Very low30.8Very low114 Ų114133.5 Ų133.577%0.7779%0.789SS**  trans-142.892.5-179.9-81.50000109
577T35.7Very low30.9Very low125 Ų125131.3 Ų131.377%0.76779%0.79SS**  trans-92.3126.5-178.137.10000111.8E575E575-T577 HydrophobicContact CG-CG2 4.49Å
578I33.6Very low32Very low164 Ų164129 Ų12984%0.84179%0.785SS**  trans-127.3133.2168.5-60.1175.2000106.6
579A28.6Very low32.1Very low100 Ų100130 Ų13083%0.82679%0.793SS**  trans-140.3152.117200000109.7
580L31.3Very low32.2Very low147 Ų147129 Ų12977%0.7779%0.791SS**  trans-119.4145.8-170.7-75.8167.1000112.6
581E28.9Very low32.1Very low166 Ų166128.8 Ų128.878%0.77679%0.788SS**  trans50.2104.6144.3-62.9-175.111700121.4
582A30.8Very low32Very low92 Ų92127.4 Ų127.476%0.7678%0.78SS**  66.1170.9110.600000120.7
583P44.6Very low31.9Very low130 Ų130127.7 Ų127.784%0.84478%0.776SS**  cis-129.8164.2-31.126.5-7.2000114.7
584G29.6Very low32.1Very low76 Ų76128.2 Ų128.278%0.78477%0.774SS**  trans129.7149.3132.700000121
585S28.1Very low31.9Very low108 Ų108128.1 Ų128.176%0.75577%0.77SS**  trans87.399.6148.1-141.10000122.8
586I30.4Very low31.9Very low145 Ų145126 Ų12674%0.74477%0.765SS**  71.4103.5125.2-63.5176.8000121.2
587V31.9Very low31.6Very low133 Ų133126.7 Ų126.781%0.80677%0.765SS**  69.3142.8129.5179.30000120.6
588P51.2Low31.1Very low118 Ų118125.1 Ų125.177%0.76677%0.765SS**  trans-121.1165.2-165.243-29.7000116.8
589A29.6Very low30.8Very low101 Ų101126.1 Ų126.184%0.83577%0.766SS**  trans-162.6163.315200000108.5
590A31.2Very low31.3Very low80 Ų80126.3 Ų126.366%0.66176%0.759SS**  cis178.5178.3-31.700000105.9
591I29.6Very low31.1Very low156 Ų156124.9 Ų124.980%0.875%0.751SS**  trans72.1138160.7-57.1164.3000116.2
592T28.3Very low31.1Very low105 Ų105118.5 Ų118.564%0.64473%0.727SS**  cis-170.3153.1-35.542.60000108
593L29.5Very low31.6Very low147 Ų147117.7 Ų117.777%0.7771%0.714SS**  trans65.9166156.4-64.5154.7000115.5
594Q30.7Very low30.8Very low172 Ų172116.5 Ų116.580%0.80471%0.705SS**  cis-138.6155.7-0.8-157.6155.7-38.500113.9
595E28Very low30.7Very low147 Ų147120.6 Ų120.669%0.68770%0.703SS**  trans-64.1157.9169.1-100.4176.297.800117
596N28.3Very low30.6Very low121 Ų121122.7 Ų122.765%0.64770%0.703SS**  trans79.9110136-67.7-14.3000123.8
597T24.2Very low30.4Very low127 Ų127121.1 Ų121.178%0.77970%0.7SS**  90.8144.5107.3-60.20000121.6
598A24.7Very low30.2Very low92 Ų92122 Ų12276%0.7670%0.698SS**  trans102.2114.6157.800000119.6
599E26.6Very low29.1Very low185 Ų185123.1 Ų123.186%0.86470%0.698SS**  trans-50.9179140.9-73.8-179.810900113.1
600P40.8Very low29.1Very low105 Ų105126.2 Ų126.268%0.68270%0.695SS**  cis-139-166.812.136.3-13.6000116.4
601L25.7Very low29Very low116 Ų116129.7 Ų129.761%0.60770%0.698SS**  trans93.4139.2142.4-128.173.5000120D832 M833L601-D832 WeakPolarHBondContact CD1-OD2 3.33Å; L601-D832 WeakPolarHBondContact CG-OD2 3.35Å; L601-M833 HydrophobicContact CD1-SD 4.11Å; L601-M833 HydrophobicContact CD2-SD 4.25Å; L601-M833 HydrophobicContact CG-SD 4.46Å
602A28.9Very low29.1Very low33 Ų33128.5 Ų128.527%0.27369%0.689SS.*  trans-100.7-161.8165.300000108.9D830 D832A602-D830 VanDerWaalsContact CB-OD1 3.23Å; A602-D830 WeakPolarHBondContact CB-OD1 3.34Å; A602-D832 HydrophobicContact CB-CB 4.42Å; A602-D832 PolarHBondContact N-OD2 2.89Å
603P41.1Very low29.4Very low74 Ų74130.1 Ų130.148%0.48169%0.689SS.*  cis-133.8167.8-11.941.8-25.7000115.6V831P603-V831 HydrophobicContact CB-CG2 3.94Å
604T27.8Very low29.5Very low106 Ų106130.6 Ų130.665%0.6569%0.688SS**  trans43.1128.2135.9-57.20000123.1
605Q28.9Very low29.4Very low162 Ų162128.8 Ų128.876%0.75768%0.682SS**  trans119.2137131.9-113.9-176.217.900122.4
606M24.8Very low29.1Very low152 Ų152127.7 Ų127.775%0.74969%0.685SS**  trans65.2155.7152.5-58.8-15877.400120.5
607V27.1Very low29Very low112 Ų112127 Ų12768%0.67969%0.69SS**  cis-164.5-177.6-40.694.80000108.4
608I26.7Very low29.2Very low150 Ų150128.2 Ų128.277%0.76969%0.691SS**  trans79.9127177.3-45.6-176.6000113.9
609N28.5Very low29.7Very low142 Ų142129.5 Ų129.576%0.75969%0.692SS**  cis106.8110.69.1-171.928.5000116.5
610Q29.9Very low29.5Very low167 Ų167127 Ų12778%0.7868%0.684SS**  trans-153.7119.8158.8-99.8165.535.400107.5
611Q29.9Very low29.5Very low153 Ų153127.4 Ų127.472%0.71569%0.687SS**  71.913999.7-70177.5-1500114.1
612Q30.5Very low29.5Very low131 Ų131127.3 Ų127.361%0.61268%0.683SS**  cis-162.7150.721.6-156.5139.5-21.200114.8
613Q35.2Very low30Very low138 Ų138130.7 Ų130.765%0.64570%0.703SS**  trans55.9118.9147-77.2167.3-4.800121.9
614Q31.8Very low29.2Very low158 Ų158132.7 Ų132.774%0.73871%0.713SS**  84.2150.593.1-76.6-179.7-24.700114.6
615I27.1Very low29.1Very low134 Ų134134.5 Ų134.569%0.68772%0.719SS**  cis-160.5150.524.2-138.3158.6000112.8
616T23.8Very low29Very low124 Ų124132.6 Ų132.676%0.76172%0.718SS**  trans61.5139.5148.2-56.50000120.6
617S25.7Very low29.7Very low107 Ų107131.7 Ų131.775%0.74872%0.724SS**  cis-158166.4-3.246.90000114.1
618L27.1Very low29.6Very low152 Ų152129.8 Ų129.880%0.79673%0.727SS**  trans-66.4177.5159.5-118.475.1000112.2
619P35.8Very low29.7Very low119 Ų119130.1 Ų130.177%0.77373%0.728SS**  cis-139.3169.334.744-25.2000119.7
620D23.4Very low30.2Very low131 Ų131128.9 Ų128.970%0.70173%0.728SS**  trans-65.6-178.5156.3-134.82.6000110.1
621P39.5Very low30.2Very low114 Ų114129 Ų12974%0.7473%0.728SS**  cis-148.1177.430.543.4-20.7000119.3
622Q25.5Very low30.2Very low115 Ų115125.9 Ų125.954%0.53772%0.724SS.*  trans-59.2175.7147.9-72.4-89.9-19.500111
623P40.2Very low30Very low104 Ų104125.5 Ų125.568%0.67573%0.73SS**  cis-151.2-174.722.541.2-17.8000118.3
624V25Very low29.5Very low115 Ų115124.7 Ų124.770%0.69774%0.735SS**  trans78.2145.6135.6150.50000122.7
625D25.6Very low29.4Very low144 Ų144123.8 Ų123.877%0.7774%0.735SS**  trans72122.9161.3-76.2-18.7000124.3
626T26.4Very low29.3Very low123 Ų123121.4 Ų121.476%0.75574%0.735SS**  trans-49.8157.2146.832.90000113
627P38.4Very low29.5Very low132 Ų132119.9 Ų119.986%0.85773%0.729SS**  cis-149.9-164.345.943.3-22.9000115.5
628G26.5Very low29.8Very low72 Ų72122.4 Ų122.474%0.74273%0.734SS**  trans140.1119.6148.800000116.7
629I27.1Very low30.1Very low157 Ų157121.3 Ų121.381%0.80573%0.734SS**  trans-90.3145.3157-47.3165.2000106.1
630P39.8Very low30.4Very low116 Ų116120.8 Ų120.875%0.75373%0.731SS**  -115.7152.8102.6-12.131.8000113
631E30.3Very low30.6Very low169 Ų169122.3 Ų122.379%0.7974%0.736SS**  cis64.4138.249.1-112.5178.4-137.600112
632S30Very low30.1Very low89 Ų89122.8 Ų122.862%0.62274%0.737SS**  cis-150.4144.82.1-18.80000107.1
633V25.5Very low30.3Very low122 Ų122122.2 Ų122.274%0.73975%0.745SS**  67.1113.371.9-177.90000114.7
634T26Very low30Very low122 Ų122124.3 Ų124.375%0.74875%0.751SS**  trans67.1175.516163.90000117.6
635L29Very low30.5Very low139 Ų139123.7 Ų123.773%0.72875%0.752SS**  cis-152.6118.210-149.6130.8000107.8
636A25.3Very low32Very low84 Ų84122.2 Ų122.269%0.69475%0.75SS**  73155.181.300000117.1
637S27.6Very low33.2Very low92 Ų92121.4 Ų121.464%0.64375%0.747SS**  trans78.5113.2161.1-50.60000120.1
638N32.3Very low33Very low159 Ų159121.7 Ų121.785%0.8575%0.746SS**  -175.3153.594.1-90.1-39.6000115
639T32.3Very low33.2Very low129 Ų129122.1 Ų122.179%0.79174%0.742SS**  trans-91.8-172.8171.746.50000109.6
640P42.5Very low33.3Very low109 Ų109121.3 Ų121.371%0.70874%0.74SS**  cis-153.4-17220.146.2-23.8000120.5
641M27.1Very low32.7Very low163 Ų163120.9 Ų120.980%0.80374%0.739SS**  trans87.8128.1144.8-90.6-171.3162.600124
642T30.3Very low32.7Very low124 Ų124122.2 Ų122.276%0.76174%0.742SS**  trans66.3147.5145.552.10000119.8
643S29.7Very low33.5Very low102 Ų102123.6 Ų123.671%0.71375%0.749SS**  cis177.5156.6-10.849.60000109.8
644D33.4Very low33.5Very low148 Ų148121 Ų12179%0.79175%0.747SS**  cis-174.3178.5-27.1-147-72.6000109.6
645S34.7Very low33.5Very low103 Ų103122.7 Ų122.772%0.7275%0.75SS**  trans80.8174.1154.883.10000120
646P58.4Low33.3Very low113 Ų113124 Ų12473%0.73475%0.752SS**  -133.7-156.4-100.843.3-22.1000113
647P51.3Low33.3Very low106 Ų106127.3 Ų127.369%0.68876%0.757SS**  cis-140.1168-4.344.6-27.1000118.3
648V33.3Very low33.2Very low138 Ų138128.4 Ų128.484%0.83676%0.76SS**  trans53.8139.4135.6172.10000119.9
649A31.7Very low32.8Very low80 Ų80126.1 Ų126.166%0.66176%0.756SS**  cis-154.615328.300000115.6
650D28.1Very low32.6Very low141 Ų141124.1 Ų124.175%0.75475%0.753SS**  49146.7123.9-74.5-73.9000125.2
651S28.8Very low31.8Very low107 Ų107128 Ų12875%0.74876%0.762SS**  cis-158.2175.1-0-135.20000115.3
652K29.1Very low31.7Very low196 Ų196127.7 Ų127.785%0.85276%0.763SS**  trans-97.5-172.7168.3-82.1-178.9175.8178.10110.6
653P46.4Very low32.1Very low119 Ų119126.8 Ų126.877%0.77376%0.759SS**  cis-120.6-160.6-7.344.7-29.3000111.9
654G25.6Very low31.8Very low67 Ų67127.2 Ų127.269%0.69176%0.757SS**  cis119151-1200000117.1
655I25.7Very low31.6Very low157 Ų157128.9 Ų128.981%0.80576%0.758SS**  trans95130.8161.7-57.4179.3000119.7
656E25.2Very low31.2Very low167 Ų167133.5 Ų133.578%0.7877%0.765SS**  trans71.6112.1156.4-81.3171.7-162.500126.6
657L26.1Very low29.6Very low153 Ų153134 Ų13480%0.80177%0.765SS**  83.2153.7111.5-145.172.7000123
658V24.4Very low28.6Very low115 Ų115137.2 Ų137.270%0.69777%0.771SS**  trans86.798161-167.50000119.8
659S25.4Very low28.2Very low111 Ų111138.9 Ų138.978%0.77677%0.77SS**  41.6147.2124.2-46.60000125.4
660A27.1Very low28Very low88 Ų88140 Ų14073%0.72777%0.768SS**  trans96.1114.9138.700000121.7
661E25.5Very low28.1Very low190 Ų190142 Ų14289%0.88877%0.771SS**  trans62.8158.6137.6-62-161.9108.600124.4
662L25.8Very low28Very low157 Ų157143.6 Ų143.682%0.82277%0.771SS**  trans-55.4166.4170.4-86.872000112.7
663P39.1Very low28Very low104 Ų104137.4 Ų137.468%0.67576%0.763SS**  cis-156.6165.538.544.4-22.6000121.3
664T23.7Very low27.1Very low111 Ų111136.6 Ų136.668%0.68176%0.759SS**  trans56.1132.913956.40000126
665K27.4Very low27.3Very low184 Ų184139.9 Ų139.980%0.877%0.766SS**  trans76.2109.7130.4-73.5171.4-178.6174.10122.9
666K27.3Very low27.3Very low199 Ų199137.7 Ų137.787%0.86577%0.765SS**  64.6172.8122-80.9-160.4170.2-1600121.2
667V25.3Very low27.8Very low123 Ų123137.4 Ų137.475%0.74577%0.765SS**  trans82.6112.6179.3-170.20000110
668E28.7Very low28.3Very low175 Ų175134.7 Ų134.782%0.81876%0.759SS**  63.3140.272.6-69.4168.7-172.500112.4
669E26.3Very low28.9Very low172 Ų172137.3 Ų137.380%0.80476%0.764SS**  cis-166-176.2-20.4-152.7-168-172.500107.8
670V26.5Very low28.9Very low104 Ų104137.8 Ų137.863%0.6376%0.762SS**  trans76.8116.7147.6163.20000121.4
671F30.2Very low29.2Very low184 Ų184137.2 Ų137.281%0.80776%0.757SS**  trans70.6151.4142.3-85.9-129.5000121
672D27.2Very low29.8Very low140 Ų140134.2 Ų134.275%0.74975%0.754SS**  cis-157.2168.1-15.2-158.7-8.1000109.5
673G28.3Very low30.1Very low66 Ų66136.1 Ų136.168%0.6876%0.756SS**  trans-166.17.5-168.600000124.2
674S28.2Very low29.7Very low101 Ų101137.7 Ų137.771%0.70676%0.764SS**  trans59.3109.9158.6174.60000122.7
675V30.9Very low30.3Very low136 Ų136137.8 Ų137.882%0.82477%0.766SS**  trans61.5128.3133.3-172.90000118.6
676S24.8Very low30.8Very low112 Ų112135.4 Ų135.478%0.78377%0.77SS**  cis-149.7-175.346.2-154.70000116.1
677M36.5Very low31.1Very low160 Ų160130.9 Ų130.979%0.78877%0.77SS**  trans-90.5170.9-165.6-55.8-106.862.200113.6
678S35.4Very low31.4Very low97 Ų97130.1 Ų130.168%0.67877%0.77SS**  cis-152.7145.125.5-60.50000115.7
679E36.8Very low32Very low170 Ų170127.1 Ų127.179%0.79477%0.765SS**  trans49.6153.7141.7-60.4-164.992.600123.9
680T26.1Very low32.5Very low121 Ų121125.1 Ų125.174%0.74277%0.767SS**  cis-165146.6-27-820000107.7
681A32.6Very low32.9Very low75 Ų75127.5 Ų127.562%0.6278%0.776SS**  trans-110.3166.2-177.300000114.1
682P39Very low33.1Very low127 Ų127128.2 Ų128.283%0.82578%0.779SS**  -143.6140.510136.9-22.6000113.7
683K31.5Very low33.5Very low198 Ų198131.3 Ų131.386%0.86179%0.786SS**  cis85.5109.749.7-81.8-165.8172.5-179.20116.5
684T31.3Very low33.8Very low137 Ų137136.1 Ų136.184%0.8479%0.791SS**  trans-85.5155.6170.5-18.80000112.6
685P35.4Very low34.2Very low113 Ų113138.8 Ų138.873%0.73479%0.792SS**  trans-91.6154.7156.534.9-32.4000112.6
686P37.9Very low34.5Very low134 Ų134136.9 Ų136.987%0.8778%0.781SS**  trans-92.8178.5-170.737.5-37.5000115.6
687A33.2Very low35.2Very low104 Ų104140.8 Ų140.886%0.8678%0.784SS**  trans-86.9166.6-165.100000116.9
688S31.6Very low35.7Very low107 Ų107136.9 Ų136.975%0.74877%0.769SS**  trans-110.6152.2160.656.90000110.3
689P41.5Very low37.2Very low112 Ų112139.8 Ų139.873%0.72777%0.77SS**PPolyproline II helixtrans-68.9157.7-173.328.9-36.3000113.1D691P689-D691 PolarHBondContact O-N 2.89Å
690P37.9Very low39.3Very low130 Ų130134.4 Ų134.484%0.84475%0.746SS**PPolyproline II helixtrans-70.7120.4177.428.8-33.8000111K692P690-K692 PolarHBondContact O-N 3.12Å
691D33.9Very low42Very low154 Ų154131.2 Ų131.282%0.82472%0.722SS**PPolyproline II helixtrans-56.7137.7168-83-51000110.6P689 K693P689-D691 PolarHBondContact O-N 2.89Å; D691-K693 PolarHBondContact O-N 3.38Å
692K34.1Very low44.5Very low198 Ų198131.9 Ų131.986%0.86172%0.715SS**  trans-59.4114.2166.1-68178.2-179.2177.60107P690 E694P690-K692 PolarHBondContact O-N 3.12Å; K692-E694 PolarHBondContact O-N 3.39Å
693K35.8Very low46.6Very low205 Ų205125.9 Ų125.989%0.89168%0.675SS**  trans-6489.9170.1-76-176.6178.2176.10108.6D691 Q695D691-K693 PolarHBondContact O-N 3.38Å; K693-Q695 PolarHBondContact O-N 3.45Å
694E34.7Very low48.9Very low167 Ų167121.3 Ų121.378%0.7866%0.66SS**  trans-54.3111.3160.2-67-169.1155.500106.8K692 T696K692-E694 PolarHBondContact O-N 3.39Å; E694-T696 PolarHBondContact O-N 2.98Å
695Q37Very low51.1Low158 Ų158116.4 Ų116.474%0.73863%0.63SS**  trans-70.679168.5-173.9173.5-500107.2K693 F697K693-Q695 PolarHBondContact O-N 3.45Å; Q695-F697 PolarHBondContact O-N 2.83Å; Q695-F697 VanDerWaalsContact O-N 3.11Å
696T36.7Very low53.4Low95 Ų95113.1 Ų113.158%0.58361%0.61SS**  trans-52.8120.9168.554.80000107E694 T698E694-T696 PolarHBondContact O-N 2.98Å; T696-T698 PolarHBondContact O-N 3.48Å
697F40.9Very low55.6Low194 Ų194114.4 Ų114.485%0.85160%0.604SS**  trans-7469.8-177.8-70.4-85.5000109.8Q695 K699Q695-F697 PolarHBondContact O-N 2.83Å; Q695-F697 VanDerWaalsContact O-N 3.11Å; F697-K699 PolarHBondContact O-N 2.84Å; F697-K699 VanDerWaalsContact O-N 3.1Å
698T46.3Very low58Low78 Ų78116.5 Ų116.548%0.47959%0.59SS.*  trans-61113.5168.158.30000107T696 N700T696-T698 PolarHBondContact O-N 3.48Å; T698-N700 WeakPolarHBondContact CB-OD1 3.37Å; T698-N700 PolarHBondContact O-N 2.85Å; T698-N700 PolarHBondContact O-OD1 3.29Å; T698-N700 VanDerWaalsContact O-OD1 3.1Å; T698-N700 PolarHBondContact OG1-OD1 3.43Å
699K66.6Low60.8Low159 Ų159116.2 Ų116.269%0.69158%0.579SS**  trans-71.383.5179.3-174.7173-179.1172.80108.3F697 F701F697-K699 PolarHBondContact O-N 2.84Å; F697-K699 VanDerWaalsContact O-N 3.1Å; K699-F701 VanDerWaalsContact O-CD2 3.3Å; K699-F701 WeakPolarHBondContact O-CD2 3.08Å; K699-F701 WeakPolarHBondContact O-CE2 3.41Å
700N80.9Confident63Low57 Ų57112.4 Ų112.431%0.30555%0.551SS.*PPolyproline II helixtrans-66.6139.6-179.1-64.3-9.4000109.5T698 F710 H711T698-N700 WeakPolarHBondContact CB-OD1 3.37Å; T698-N700 PolarHBondContact O-N 2.85Å; T698-N700 PolarHBondContact O-OD1 3.29Å; T698-N700 VanDerWaalsContact O-OD1 3.1Å; T698-N700 PolarHBondContact OG1-OD1 3.43Å; N700-F710 CarbonylContact C-O 2.98Å; N700-F710 VanDerWaalsContact CA-O 3.29Å; N700-F710 WeakPolarHBondContact CA-O 3.23Å; N700-H711 PolarHBondContact OD1-CD2 3.01Å
701F82.8Confident65.3Low54 Ų54112.3 Ų112.324%0.23754%0.539CS..EExtended strand (participates in β ladder)trans-103.1129.8179.1-58.6-86000108.6K699 F710 M713 L716K699-F701 VanDerWaalsContact O-CD2 3.3Å; K699-F701 WeakPolarHBondContact O-CD2 3.08Å; K699-F701 WeakPolarHBondContact O-CE2 3.41Å; F701-F710 PolarHBondContact N-O 3.01Å; F701-F710 PolarHBondContact O-N 3.37Å; F701-M713 HydrophobicContact CD1-CG 3.59Å; F701-M713 HydrophobicContact CD2-CG 4.11Å; F701-M713 HydrophobicContact CE1-CG 3.29Å; F701-M713 HydrophobicContact CE1-SD 3.94Å; F701-M713 HydrophobicContact CE2-CG 3.84Å; F701-M713 HydrophobicContact CG-CG 4Å; F701-M713 HydrophobicContact CZ-CG 3.44Å; F701-M713 VanDerWaalsContact CZ-CG 3.44Å; F701-M713 HydrophobicContact CZ-SD 4.27Å; F701-L716 HydrophobicContact CB-CB 4.23Å; F701-L716 HydrophobicContact CB-CD2 3.72Å
702I84.6Confident67.9Low89 Ų89106.6 Ų106.646%0.45651%0.511SS..EExtended strand (participates in β ladder)trans-98.2140-174.1-46.8-167.5000109.5E707 L709I702-E707 HydrophobicContact CG2-CB 4.41Å; I702-E707 WeakPolarHBondContact CG2-O 3.44Å; I702-L709 HydrophobicContact CB-CD2 4.49Å; I702-L709 HydrophobicContact CD1-CD2 3.94Å; I702-L709 HydrophobicContact CG1-CD2 3.7Å; I702-L709 HydrophobicContact CG2-CD2 4.44Å
703C85Confident70.3Confident0 Ų0103.5 Ų103.50%050%0.501CS..PPolyproline II helixtrans-79.5118.7170.1-178.80000111.5V705 C706 E707 R708 F710 L716C703-V705 PolarHBondContact O-N 3.38Å; C703-C706 PolarHBondContact O-N 2.93Å; C703-E707 VanDerWaalsContact O-CA 3.23Å; C703-E707 WeakPolarHBondContact O-CA 3.1Å; C703-E707 PolarHBondContact O-N 3.05Å; C703-R708 PolarHBondContact N-O 3.5Å; C703-F710 HydrophobicContact CB-CE2 3.96Å; C703-L716 HydrophobicContact CB-CD1 3.78Å
704N78.1Confident72.7Confident102 Ų102101.6 Ų101.655%0.54549%0.493SS..THydrogen-bonded Turntrans-67.71.6178.8-61.3-1.9000114.9L736N704-L736 HydrophobicContact CB-CD2 4Å
705V78.5Confident75.2Confident34 Ų3497.7 Ų97.721%0.20648%0.475CS..THydrogen-bonded Turntrans-111.5-33.8-179-173.40000112.3C703 H723 W727 L737C703-V705 PolarHBondContact O-N 3.38Å; V705-H723 WeakPolarHBondContact CG1-ND1 3.28Å; V705-H723 HydrophobicContact CG2-CB 4.48Å; V705-W727 HydrophobicContact CG1-CD2 3.76Å; V705-W727 HydrophobicContact CG1-CE3 4.41Å; V705-W727 HydrophobicContact CG1-CG 3.92Å; V705-W727 HydrophobicContact CG1-CZ2 4.18Å; V705-L737 HydrophobicContact CG2-CB 4.18Å; V705-L737 HydrophobicContact CG2-CD1 3.86Å
706C83Confident77.6Confident45 Ų4591.7 Ų91.730%0.30445%0.448SS..THydrogen-bonded Turntrans-142.617.7-178.470.60000114.5C703 R708 H719 H723C703-C706 PolarHBondContact O-N 2.93Å; C706-R708 PolarHBondContact O-N 3.36Å; C706-H719 PolarHBondContact SG-NE2 3.07Å; C706-H723 VanDerWaalsContact SG-CE1 3.6Å; C706-H723 PolarHBondContact SG-NE2 2.81Å
707E83.9Confident79.9Confident160 Ų16089.4 Ų89.475%0.74844%0.443SS*.  trans57.55.9170.4-55.7-170.4168.800117.2I702 C703I702-E707 HydrophobicContact CG2-CB 4.41Å; I702-E707 WeakPolarHBondContact CG2-O 3.44Å; C703-E707 VanDerWaalsContact O-CA 3.23Å; C703-E707 WeakPolarHBondContact O-CA 3.1Å; C703-E707 PolarHBondContact O-N 3.05Å
708R85.1Confident82.1Confident149 Ų14986.9 Ų86.956%0.56243%0.433SS*.  trans-58.4138.9174.8-66.2178.9-162.91807.1111.5C703 C706 F710C703-R708 PolarHBondContact N-O 3.5Å; C706-R708 PolarHBondContact O-N 3.36Å; R708-F710 HydrophobicContact CB-CE2 3.54Å; R708-F710 HydrophobicContact CB-CZ 3.68Å; R708-F710 WeakPolarHBondContact O-CD2 3.12Å; R708-F710 VanDerWaalsContact O-CE2 3.26Å; R708-F710 WeakPolarHBondContact O-CE2 3.09Å
709L89.3Confident84Confident100 Ų10083.7 Ų83.752%0.52441%0.413SS..EExtended strand (participates in β ladder)trans-89.2133.8177.3-56.1-178.3000110.9I702I702-L709 HydrophobicContact CB-CD2 4.49Å; I702-L709 HydrophobicContact CD1-CD2 3.94Å; I702-L709 HydrophobicContact CG1-CD2 3.7Å; I702-L709 HydrophobicContact CG2-CD2 4.44Å
710F88Confident84.7Confident32 Ų3277.8 Ų77.814%0.1439%0.39CS..EExtended strand (participates in β ladder)trans-125142.6177.3-63.3-79.7000110.6N700 F701 C703 R708 S712 E715 L716 H719N700-F710 CarbonylContact C-O 2.98Å; N700-F710 VanDerWaalsContact CA-O 3.29Å; N700-F710 WeakPolarHBondContact CA-O 3.23Å; F701-F710 PolarHBondContact N-O 3.01Å; F701-F710 PolarHBondContact O-N 3.37Å; C703-F710 HydrophobicContact CB-CE2 3.96Å; R708-F710 HydrophobicContact CB-CE2 3.54Å; R708-F710 HydrophobicContact CB-CZ 3.68Å; R708-F710 WeakPolarHBondContact O-CD2 3.12Å; R708-F710 VanDerWaalsContact O-CE2 3.26Å; R708-F710 WeakPolarHBondContact O-CE2 3.09Å; F710-S712 VanDerWaalsContact C-N 3.26Å; F710-S712 PolarHBondContact O-N 3.38Å; F710-E715 HydrophobicContact CB-CB 4.03Å; F710-E715 HydrophobicContact CD1-CB 3.75Å; F710-E715 HydrophobicContact CG-CB 4.23Å; F710-L716 HydrophobicContact CB-CB 4.1Å; F710-L716 HydrophobicContact CD2-CB 4.07Å; F710-L716 HydrophobicContact CD2-CD1 3.88Å; F710-L716 HydrophobicContact CE2-CD1 4.21Å; F710-L716 HydrophobicContact CG-CB 4.15Å; F710-H719 HydrophobicContact CE1-CB 3.92Å; F710-H719 AromaticContact CE1-CG 3.99Å; F710-H719 HydrophobicContact CE2-CB 4.22Å; F710-H719 AromaticContact CE2-CD2 3.29Å; F710-H719 WeakPolarHBondContact CE2-CD2 3.26Å; F710-H719 AromaticContact CE2-CG 3.91Å; F710-H719 HydrophobicContact CZ-CB 3.68Å; F710-H719 AromaticContact CZ-CD2 3.09Å; F710-H719 WeakPolarHBondContact CZ-CD2 3.29Å; F710-H719 AromaticContact CZ-CG 3.32Å; F710-H719 AromaticContact CZ-NE2 3.76Å
711H86.8Confident84.7Confident129 Ų12977.9 Ų77.960%0.59740%0.398SS*.SBendtrans-85.8-5.7-177.1-56.392.7000111.7N700 E715N700-H711 PolarHBondContact OD1-CD2 3.01Å; H711-E715 PolarHBondContact N-OE2 3.08Å
712S88.1Confident84.7Confident33 Ų3380.5 Ų80.523%0.23142%0.415CS..SBendtrans-144.4142.5-179.1-177.10000112.7F710 K714 E715 L716F710-S712 VanDerWaalsContact C-N 3.26Å; F710-S712 PolarHBondContact O-N 3.38Å; S712-K714 PolarHBondContact O-N 2.9Å; S712-K714 VanDerWaalsContact O-N 3.11Å; S712-K714 PolarHBondContact OG-N 3.11Å; S712-E715 VanDerWaalsContact CB-CD 3.42Å; S712-E715 WeakPolarHBondContact CB-OE1 3.33Å; S712-E715 PolarHBondContact N-OE2 3.33Å; S712-E715 VanDerWaalsContact N-OE2 3.16Å; S712-E715 PolarHBondContact O-N 2.93Å; S712-E715 VanDerWaalsContact O-N 3.1Å; S712-L716 PolarHBondContact O-N 3.38Å; S712-L716 VanDerWaalsContact O-N 3.08Å
713M84.8Confident84.5Confident134 Ų13477 Ų7766%0.6640%0.397SS*.Hα-helixtrans-57.5-22.8167.7-68.2-171.7-69.900113.2F701 G717F701-M713 HydrophobicContact CD1-CG 3.59Å; F701-M713 HydrophobicContact CD2-CG 4.11Å; F701-M713 HydrophobicContact CE1-CG 3.29Å; F701-M713 HydrophobicContact CE1-SD 3.94Å; F701-M713 HydrophobicContact CE2-CG 3.84Å; F701-M713 HydrophobicContact CG-CG 4Å; F701-M713 HydrophobicContact CZ-CG 3.44Å; F701-M713 VanDerWaalsContact CZ-CG 3.44Å; F701-M713 HydrophobicContact CZ-SD 4.27Å; M713-G717 PolarHBondContact O-N 3.13Å
714K86.3Confident84Confident164 Ų16479 Ų7971%0.71341%0.414SS*.Hα-helixtrans-72.6-44.3175-67.6-173.2176.8-174.60111.7S712 G717 H718S712-K714 PolarHBondContact O-N 2.9Å; S712-K714 VanDerWaalsContact O-N 3.11Å; S712-K714 PolarHBondContact OG-N 3.11Å; K714-G717 PolarHBondContact O-N 2.86Å; K714-H718 PolarHBondContact O-CD2 3.28Å; K714-H718 PolarHBondContact O-N 3.12Å
715E86.8Confident83.8Confident86 Ų8681.6 Ų81.640%0.40243%0.427SS..Hα-helixtrans-63.1-47.9177.3-67.2147.7-145.600109.8F710 H711 S712 G717 H718 H719F710-E715 HydrophobicContact CB-CB 4.03Å; F710-E715 HydrophobicContact CD1-CB 3.75Å; F710-E715 HydrophobicContact CG-CB 4.23Å; H711-E715 PolarHBondContact N-OE2 3.08Å; S712-E715 VanDerWaalsContact CB-CD 3.42Å; S712-E715 WeakPolarHBondContact CB-OE1 3.33Å; S712-E715 PolarHBondContact N-OE2 3.33Å; S712-E715 VanDerWaalsContact N-OE2 3.16Å; S712-E715 PolarHBondContact O-N 2.93Å; S712-E715 VanDerWaalsContact O-N 3.1Å; E715-G717 VanDerWaalsContact C-N 3.31Å; E715-G717 PolarHBondContact O-N 3.28Å; E715-H718 PolarHBondContact O-N 2.86Å; E715-H719 VanDerWaalsContact O-CB 3.3Å; E715-H719 WeakPolarHBondContact O-CB 3.23Å; E715-H719 PolarHBondContact O-N 3.18Å
716L88.2Confident83.8Confident32 Ų3286.2 Ų86.217%0.16845%0.447CS..Hα-helixtrans-59-41.3172.3175.661.8000111.9F701 C703 F710 S712 H719 V720F701-L716 HydrophobicContact CB-CB 4.23Å; F701-L716 HydrophobicContact CB-CD2 3.72Å; C703-L716 HydrophobicContact CB-CD1 3.78Å; F710-L716 HydrophobicContact CB-CB 4.1Å; F710-L716 HydrophobicContact CD2-CB 4.07Å; F710-L716 HydrophobicContact CD2-CD1 3.88Å; F710-L716 HydrophobicContact CE2-CD1 4.21Å; F710-L716 HydrophobicContact CG-CB 4.15Å; S712-L716 PolarHBondContact O-N 3.38Å; S712-L716 VanDerWaalsContact O-N 3.08Å; L716-H719 PolarHBondContact O-N 3.11Å; L716-V720 HydrophobicContact CD1-CG2 3.64Å; L716-V720 HydrophobicContact CG-CG2 4.22Å; L716-V720 WeakPolarHBondContact O-CB 3.06Å; L716-V720 VanDerWaalsContact O-CG2 3.32Å; L716-V720 WeakPolarHBondContact O-CG2 3.3Å; L716-V720 PolarHBondContact O-N 3.1Å
717G85Confident83.7Confident46 Ų4688 Ų8847%0.47445%0.447SS..Hα-helixtrans-66.9-34.9-179.600000114M713 K714 E715M713-G717 PolarHBondContact O-N 3.13Å; K714-G717 PolarHBondContact O-N 2.86Å; E715-G717 VanDerWaalsContact C-N 3.31Å; E715-G717 PolarHBondContact O-N 3.28Å
718H85.3Confident83.6Confident141 Ų14184.2 Ų84.265%0.65344%0.436SS*.Hα-helixtrans-70-46.3169.4-78.4-131.4000110.2K714 E715 V720 A721 D722K714-H718 PolarHBondContact O-CD2 3.28Å; K714-H718 PolarHBondContact O-N 3.12Å; E715-H718 PolarHBondContact O-N 2.86Å; H718-V720 VanDerWaalsContact C-N 3.33Å; H718-V720 PolarHBondContact O-N 2.89Å; H718-A721 WeakPolarHBondContact O-CA 3.49Å; H718-A721 WeakPolarHBondContact O-CB 3.44Å; H718-A721 PolarHBondContact O-N 3.21Å; H718-D722 PolarHBondContact O-N 2.91Å
719H86.7Confident83.6Confident12 Ų1281.6 Ų81.66%0.05643%0.427CS..Hα-helixtrans-64.4-35.3-177.7-179.551.4000113.8C706 F710 E715 L716 A721 D722 H723C706-H719 PolarHBondContact SG-NE2 3.07Å; F710-H719 HydrophobicContact CE1-CB 3.92Å; F710-H719 AromaticContact CE1-CG 3.99Å; F710-H719 HydrophobicContact CE2-CB 4.22Å; F710-H719 AromaticContact CE2-CD2 3.29Å; F710-H719 WeakPolarHBondContact CE2-CD2 3.26Å; F710-H719 AromaticContact CE2-CG 3.91Å; F710-H719 HydrophobicContact CZ-CB 3.68Å; F710-H719 AromaticContact CZ-CD2 3.09Å; F710-H719 WeakPolarHBondContact CZ-CD2 3.29Å; F710-H719 AromaticContact CZ-CG 3.32Å; F710-H719 AromaticContact CZ-NE2 3.76Å; E715-H719 VanDerWaalsContact O-CB 3.3Å; E715-H719 WeakPolarHBondContact O-CB 3.23Å; E715-H719 PolarHBondContact O-N 3.18Å; L716-H719 PolarHBondContact O-N 3.11Å; H719-A721 PolarHBondContact O-N 3.2Å; H719-D722 WeakPolarHBondContact CA-OD2 3.32Å; H719-D722 IonicContact CE1-OD2 2.85Å; H719-D722 IonicContact CG-OD2 2.69Å; H719-D722 IonicContact ND1-OD2 3.19Å; H719-D722 PolarHBondContact ND1-OD2 2.76Å; H719-D722 VanDerWaalsContact O-CB 3.28Å; H719-D722 WeakPolarHBondContact O-CB 3.42Å; H719-D722 PolarHBondContact O-N 2.83Å; H719-D722 VanDerWaalsContact O-N 3.1Å; H719-H723 AromaticContact CD2-CD2 3.94Å; H719-H723 AromaticContact CD2-NE2 3.77Å; H719-H723 AromaticContact CE1-CD2 3.75Å; H719-H723 AromaticContact CE1-NE2 3.2Å; H719-H723 PolarHBondContact CE1-NE2 2.88Å; H719-H723 AromaticContact NE2-CD2 3.57Å; H719-H723 AromaticContact NE2-NE2 2.95Å; H719-H723 PolarHBondContact NE2-NE2 3.38Å; H719-H723 PolarHBondContact O-CD2 3.43Å; H719-H723 PolarHBondContact O-N 3.18Å
720V81.5Confident83.4Confident35 Ų3582.4 Ų82.421%0.21243%0.426CS..Hα-helixtrans-70.7-14.5172.2170.50000112.1L716 H718 A724 L737L716-V720 HydrophobicContact CD1-CG2 3.64Å; L716-V720 HydrophobicContact CG-CG2 4.22Å; L716-V720 WeakPolarHBondContact O-CB 3.06Å; L716-V720 VanDerWaalsContact O-CG2 3.32Å; L716-V720 WeakPolarHBondContact O-CG2 3.3Å; L716-V720 PolarHBondContact O-N 3.1Å; H718-V720 VanDerWaalsContact C-N 3.33Å; H718-V720 PolarHBondContact O-N 2.89Å; V720-A724 PolarHBondContact O-N 2.94Å; V720-L737 HydrophobicContact CG1-CD1 3.85Å; V720-L737 HydrophobicContact CG1-CD2 4.06Å
721A80.8Confident83.2Confident58 Ų5881 Ų8148%0.47942%0.42SS..Hα-helixtrans-80.1-33165.900000112.1H718 H719 H723 A724H718-A721 WeakPolarHBondContact O-CA 3.49Å; H718-A721 WeakPolarHBondContact O-CB 3.44Å; H718-A721 PolarHBondContact O-N 3.21Å; H719-A721 PolarHBondContact O-N 3.2Å; A721-H723 PolarHBondContact O-N 2.95Å; A721-A724 WeakPolarHBondContact O-CB 3.38Å; A721-A724 PolarHBondContact O-N 3.21Å
722D82.7Confident82.8Confident109 Ų10981.7 Ų81.758%0.58342%0.424SS*.Hα-helixtrans-57-38.7168.7-45.4-27.6000110.7H718 H719 A724H718-D722 PolarHBondContact O-N 2.91Å; H719-D722 WeakPolarHBondContact CA-OD2 3.32Å; H719-D722 IonicContact CE1-OD2 2.85Å; H719-D722 IonicContact CG-OD2 2.69Å; H719-D722 IonicContact ND1-OD2 3.19Å; H719-D722 PolarHBondContact ND1-OD2 2.76Å; H719-D722 VanDerWaalsContact O-CB 3.28Å; H719-D722 WeakPolarHBondContact O-CB 3.42Å; H719-D722 PolarHBondContact O-N 2.83Å; H719-D722 VanDerWaalsContact O-N 3.1Å; D722-A724 VanDerWaalsContact C-N 3.27Å; D722-A724 PolarHBondContact O-N 3.36Å
723H80.3Confident82.2Confident16 Ų1683.9 Ų83.97%0.07443%0.429CS..THydrogen-bonded Turntrans-72.4-10.9174.6-71.9-69000114.3V705 C706 H719 A721 D725 E726 W727V705-H723 WeakPolarHBondContact CG1-ND1 3.28Å; V705-H723 HydrophobicContact CG2-CB 4.48Å; C706-H723 VanDerWaalsContact SG-CE1 3.6Å; C706-H723 PolarHBondContact SG-NE2 2.81Å; H719-H723 AromaticContact CD2-CD2 3.94Å; H719-H723 AromaticContact CD2-NE2 3.77Å; H719-H723 AromaticContact CE1-CD2 3.75Å; H719-H723 AromaticContact CE1-NE2 3.2Å; H719-H723 PolarHBondContact CE1-NE2 2.88Å; H719-H723 AromaticContact NE2-CD2 3.57Å; H719-H723 AromaticContact NE2-NE2 2.95Å; H719-H723 PolarHBondContact NE2-NE2 3.38Å; H719-H723 PolarHBondContact O-CD2 3.43Å; H719-H723 PolarHBondContact O-N 3.18Å; A721-H723 PolarHBondContact O-N 2.95Å; H723-D725 VanDerWaalsContact C-N 3.28Å; H723-D725 PolarHBondContact O-N 3.3Å; H723-E726 PolarHBondContact O-N 3.27Å; H723-W727 AromaticContact ND1-CD1 3.83Å; H723-W727 AromaticContact ND1-NE1 3.98Å; H723-W727 WeakPolarHBondContact O-CA 3.42Å; H723-W727 VanDerWaalsContact O-CB 3.29Å; H723-W727 WeakPolarHBondContact O-CB 3.48Å; H723-W727 PolarHBondContact O-N 2.91Å
724A75.1Confident81.6Confident43 Ų4379 Ų7936%0.35541%0.408SS..THydrogen-bonded Turntrans-70.1-25.5-175.300000113.1V720 A721 D722 P728V720-A724 PolarHBondContact O-N 2.94Å; A721-A724 WeakPolarHBondContact O-CB 3.38Å; A721-A724 PolarHBondContact O-N 3.21Å; D722-A724 VanDerWaalsContact C-N 3.27Å; D722-A724 PolarHBondContact O-N 3.36Å; A724-P728 WeakPolarHBondContact O-CA 3.22Å
725D73.9Confident81Confident156 Ų15675 Ų7583%0.83440%0.397SS*.THydrogen-bonded Turntrans-77.1-32.9178.3-67.6-26.2000112.4H723H723-D725 VanDerWaalsContact C-N 3.28Å; H723-D725 PolarHBondContact O-N 3.3Å
726E78Confident80.7Confident131 Ų13173.5 Ų73.561%0.61239%0.392SS*.THydrogen-bonded Turntrans-91.6-29176.6-174-176.9-140.700112.5H723 P728 G739H723-E726 PolarHBondContact O-N 3.27Å; E726-P728 WeakPolarHBondContact O-CD 3.38Å; E726-G739 WeakPolarHBondContact O-CA 3.38Å
727W81.6Confident80.5Confident83 Ų8372.9 Ų72.931%0.31439%0.388SS..  trans-123.956.8-175.3-51.279.4000112.8V705 H723 Y729 L737 F738 G739V705-W727 HydrophobicContact CG1-CD2 3.76Å; V705-W727 HydrophobicContact CG1-CE3 4.41Å; V705-W727 HydrophobicContact CG1-CG 3.92Å; V705-W727 HydrophobicContact CG1-CZ2 4.18Å; H723-W727 AromaticContact ND1-CD1 3.83Å; H723-W727 AromaticContact ND1-NE1 3.98Å; H723-W727 WeakPolarHBondContact O-CA 3.42Å; H723-W727 VanDerWaalsContact O-CB 3.29Å; H723-W727 WeakPolarHBondContact O-CB 3.48Å; H723-W727 PolarHBondContact O-N 2.91Å; W727-Y729 PolarHBondContact O-N 3.49Å; W727-Y729 VanDerWaalsContact O-N 3.09Å; W727-L737 HydrophobicContact CB-CB 3.66Å; W727-L737 HydrophobicContact CB-CD2 4.42Å; W727-F738 CarbonylContact C-O 3.59Å; W727-G739 VanDerWaalsContact CE3-N 3.25Å
728P81.3Confident80.5Confident79 Ų7972.1 Ų72.151%0.51337%0.372SS..  trans-67-13.9-170.626.6-36.2000115A724 E726A724-P728 WeakPolarHBondContact O-CA 3.22Å; E726-P728 WeakPolarHBondContact O-CD 3.38Å
729Y85.9Confident80.5Confident95 Ų9567 Ų6737%0.37336%0.357SS..EExtended strand (participates in β ladder)trans-97.796.8-177.2-56.6-76000111.3W727 L737 F738 K740 P741W727-Y729 PolarHBondContact O-N 3.49Å; W727-Y729 VanDerWaalsContact O-N 3.09Å; Y729-L737 CarbonylContact O-C 3.55Å; Y729-F738 WeakPolarHBondContact CB-O 3.36Å; Y729-F738 WeakPolarHBondContact CD2-O 3.3Å; Y729-F738 PolarHBondContact N-O 3.28Å; Y729-F738 VanDerWaalsContact N-O 3.07Å; Y729-F738 WeakPolarHBondContact O-CB 3.06Å; Y729-F738 WeakPolarHBondContact O-CD2 3.4Å; Y729-F738 PolarHBondContact O-N 3.13Å; Y729-K740 VanDerWaalsContact CD2-C 3.45Å; Y729-P741 HydrophobicContact CD1-CB 4.03Å; Y729-P741 HydrophobicContact CD2-CB 4.47Å; Y729-P741 HydrophobicContact CE1-CB 3.78Å; Y729-P741 HydrophobicContact CE1-CG 4.38Å; Y729-P741 HydrophobicContact CE2-CB 4.24Å; Y729-P741 VanDerWaalsContact CE2-CD 3.47Å; Y729-P741 HydrophobicContact CE2-CG 4.25Å; Y729-P741 HydrophobicContact CG-CB 4.37Å
730K84.3Confident80.4Confident117 Ų11773.3 Ų73.351%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-90.6137.1179.1-177.9174.4-179.8172.50113
731C84.3Confident80.7Confident2 Ų274.6 Ų74.61%0.01439%0.393CS..  trans-76.5127.2170.2-175.40000112.2F733 C734 V735 L736 F738 L744 H747 H752C731-F733 PolarHBondContact O-N 3.41Å; C731-F733 PolarHBondContact SG-N 3.49Å; C731-C734 VanDerWaalsContact SG-SG 3.6Å; C731-V735 PolarHBondContact O-N 2.9Å; C731-L736 PolarHBondContact N-O 3.07Å; C731-F738 HydrophobicContact CB-CE2 4.15Å; C731-L744 HydrophobicContact CB-CD1 3.72Å; C731-H747 PolarHBondContact SG-NE2 3.1Å; C731-H752 PolarHBondContact SG-NE2 2.97Å
732E78.6Confident81.1Confident143 Ų14374.8 Ų74.867%0.66839%0.391SS*.THydrogen-bonded Turntrans-63.4-24.2179.2-58.2179.5116.800113.5R748E732-R748 IonicContact OE2-CZ 2.71Å; E732-R748 IonicContact OE2-NH1 2.69Å; E732-R748 PolarHBondContact OE2-NH1 3.39Å; E732-R748 IonicContact OE2-NH2 2.62Å; E732-R748 PolarHBondContact OE2-NH2 3.49Å
733F75Confident81.3Confident79 Ų7971.3 Ų71.335%0.34638%0.378SS..THydrogen-bonded Turntrans-105.3-31.8-166.5-60.3-65.1000114.8C731 R748 H752 Y769C731-F733 PolarHBondContact O-N 3.41Å; C731-F733 PolarHBondContact SG-N 3.49Å; F733-R748 HydrophobicContact CE2-CG 4.43Å; F733-H752 WeakPolarHBondContact CB-CE1 3.15Å; F733-H752 VanDerWaalsContact CB-ND1 3.28Å; F733-H752 WeakPolarHBondContact CB-ND1 3.47Å; F733-H752 HydrophobicContact CD2-CB 3.74Å; F733-H752 AromaticContact CD2-CG 3.59Å; F733-H752 AromaticContact CD2-ND1 3.74Å; F733-H752 HydrophobicContact CE2-CB 4.07Å; F733-H752 HydrophobicContact CG-CB 4.49Å; F733-H752 AromaticContact CG-ND1 3.71Å; F733-Y769 HydrophobicContact CD1-CE2 4.23Å; F733-Y769 HydrophobicContact CE1-CE2 4.38Å
734C73.1Confident81.6Confident31 Ų3172 Ų7221%0.20938%0.382CS..THydrogen-bonded Turntrans-130.36.1-174.9670000114.4C731 L736 H747 H752C731-C734 VanDerWaalsContact SG-SG 3.6Å; C734-L736 PolarHBondContact O-N 3.23Å; C734-H747 PolarHBondContact SG-CE1 2.93Å; C734-H747 PolarHBondContact SG-NE2 3.49Å; C734-H752 PolarHBondContact SG-NE2 2.82Å; C734-H752 VanDerWaalsContact SG-NE2 3.37Å
735V73.3Confident82.2Confident80 Ų8075.2 Ų75.249%0.48539%0.393SS..  trans67.4-2174.1-155.40000115.1C731 L737C731-V735 PolarHBondContact O-N 2.9Å; V735-L737 WeakPolarHBondContact O-CD1 3.3Å
736L79.4Confident82.8Confident56 Ų5672.6 Ų72.629%0.29338%0.378SS..  trans-57.7148.1169.4-79.1164.5000111.8N704 C731 C734 F738N704-L736 HydrophobicContact CB-CD2 4Å; C731-L736 PolarHBondContact N-O 3.07Å; C734-L736 PolarHBondContact O-N 3.23Å; L736-F738 HydrophobicContact CB-CE2 3.71Å; L736-F738 HydrophobicContact CB-CZ 3.86Å; L736-F738 HydrophobicContact CD1-CZ 4.47Å
737L84.6Confident83.1Confident18 Ų1867.1 Ų67.19%0.09435%0.353CS..EExtended strand (participates in β ladder)trans-116.8150.4178.6-58.891000110.1V705 V720 W727 Y729 V735V705-L737 HydrophobicContact CG2-CB 4.18Å; V705-L737 HydrophobicContact CG2-CD1 3.86Å; V720-L737 HydrophobicContact CG1-CD1 3.85Å; V720-L737 HydrophobicContact CG1-CD2 4.06Å; W727-L737 HydrophobicContact CB-CB 3.66Å; W727-L737 HydrophobicContact CB-CD2 4.42Å; Y729-L737 CarbonylContact O-C 3.55Å; V735-L737 WeakPolarHBondContact O-CD1 3.3Å
738F85.1Confident83.2Confident31 Ų3167.6 Ų67.614%0.13636%0.355CS..EExtended strand (participates in β ladder)trans-137.3134.1-173.9-60.6-88.1000109.8W727 Y729 C731 L736 K740 A743 L744 H747W727-F738 CarbonylContact C-O 3.59Å; Y729-F738 WeakPolarHBondContact CB-O 3.36Å; Y729-F738 WeakPolarHBondContact CD2-O 3.3Å; Y729-F738 PolarHBondContact N-O 3.28Å; Y729-F738 VanDerWaalsContact N-O 3.07Å; Y729-F738 WeakPolarHBondContact O-CB 3.06Å; Y729-F738 WeakPolarHBondContact O-CD2 3.4Å; Y729-F738 PolarHBondContact O-N 3.13Å; C731-F738 HydrophobicContact CB-CE2 4.15Å; L736-F738 HydrophobicContact CB-CE2 3.71Å; L736-F738 HydrophobicContact CB-CZ 3.86Å; L736-F738 HydrophobicContact CD1-CZ 4.47Å; F738-K740 PolarHBondContact O-N 3.01Å; F738-A743 HydrophobicContact CB-CB 4.36Å; F738-A743 HydrophobicContact CD1-CB 3.86Å; F738-A743 HydrophobicContact CG-CB 4.46Å; F738-L744 HydrophobicContact CB-CB 4.14Å; F738-L744 HydrophobicContact CD2-CB 3.96Å; F738-L744 HydrophobicContact CD2-CD1 3.75Å; F738-L744 HydrophobicContact CD2-CG 4.45Å; F738-L744 HydrophobicContact CE2-CD1 3.97Å; F738-L744 HydrophobicContact CG-CB 4.11Å; F738-H747 HydrophobicContact CE1-CB 3.85Å; F738-H747 HydrophobicContact CE2-CB 4.24Å; F738-H747 AromaticContact CE2-CD2 3.56Å; F738-H747 AromaticContact CE2-CG 3.81Å; F738-H747 HydrophobicContact CZ-CB 3.58Å; F738-H747 AromaticContact CZ-CD2 3.52Å; F738-H747 AromaticContact CZ-CE1 4Å; F738-H747 AromaticContact CZ-CG 3.26Å; F738-H747 AromaticContact CZ-ND1 3.59Å; F738-H747 AromaticContact CZ-NE2 3.97Å
739G84.3Confident83.2Confident33 Ų3367.6 Ų67.634%0.3436%0.356SS..SBendtrans-75-9.3173.600000114.6E726 W727E726-G739 WeakPolarHBondContact O-CA 3.38Å; W727-G739 VanDerWaalsContact CE3-N 3.25Å
740K86.4Confident83Confident144 Ų14466.1 Ų66.163%0.62636%0.36SS*.SBendtrans-135.4142.7-177.8-65178.3-176.6173.20111.1Y729 F738 S742 A743 L744Y729-K740 VanDerWaalsContact CD2-C 3.45Å; F738-K740 PolarHBondContact O-N 3.01Å; K740-S742 VanDerWaalsContact C-N 3.33Å; K740-S742 PolarHBondContact O-N 2.8Å; K740-A743 HydrophobicContact CB-CB 4.34Å; K740-A743 PolarHBondContact O-N 3.04Å; K740-L744 PolarHBondContact O-N 3.43Å
741P87.5Confident82.7Confident62 Ų6262.3 Ų62.340%0.40335%0.345SS..Hα-helixtrans-71.3-29.6-179.128.9-32.5000112.1Y729 L744 L745Y729-P741 HydrophobicContact CD1-CB 4.03Å; Y729-P741 HydrophobicContact CD2-CB 4.47Å; Y729-P741 HydrophobicContact CE1-CB 3.78Å; Y729-P741 HydrophobicContact CE1-CG 4.38Å; Y729-P741 HydrophobicContact CE2-CB 4.24Å; Y729-P741 VanDerWaalsContact CE2-CD 3.47Å; Y729-P741 HydrophobicContact CE2-CG 4.25Å; Y729-P741 HydrophobicContact CG-CB 4.37Å; P741-L744 PolarHBondContact O-N 3.34Å; P741-L745 WeakPolarHBondContact O-CG 3.44Å; P741-L745 PolarHBondContact O-N 3.01Å
742S88.3Confident82.4Confident62 Ų6262.4 Ų62.443%0.43435%0.346SS..Hα-helixtrans-60.2-51.9171.8480000111.1K740 L744 L745 D746K740-S742 VanDerWaalsContact C-N 3.33Å; K740-S742 PolarHBondContact O-N 2.8Å; S742-L744 VanDerWaalsContact C-N 3.25Å; S742-L744 PolarHBondContact O-N 3.17Å; S742-L745 CarbonylContact O-C 3.51Å; S742-L745 WeakPolarHBondContact O-CA 3.32Å; S742-L745 WeakPolarHBondContact O-CB 3.39Å; S742-L745 PolarHBondContact O-N 3.47Å; S742-D746 VanDerWaalsContact O-CG 3.23Å; S742-D746 PolarHBondContact O-N 2.89Å; S742-D746 VanDerWaalsContact O-OD2 3.07Å
743A86.9Confident82.2Confident37 Ų3756.6 Ų56.631%0.30632%0.324SS..Hα-helixtrans-57.5-37178.500000112.7F738 K740 H747F738-A743 HydrophobicContact CB-CB 4.36Å; F738-A743 HydrophobicContact CD1-CB 3.86Å; F738-A743 HydrophobicContact CG-CB 4.46Å; K740-A743 HydrophobicContact CB-CB 4.34Å; K740-A743 PolarHBondContact O-N 3.04Å; A743-H747 WeakPolarHBondContact O-CB 3.15Å; A743-H747 PolarHBondContact O-N 3.31Å
744L87.9Confident81.7Confident29 Ų2958.2 Ų58.215%0.15234%0.34CS..Hα-helixtrans-65.7-40.6171173.962.2000112.5C731 F738 K740 P741 S742 R748C731-L744 HydrophobicContact CB-CD1 3.72Å; F738-L744 HydrophobicContact CB-CB 4.14Å; F738-L744 HydrophobicContact CD2-CB 3.96Å; F738-L744 HydrophobicContact CD2-CD1 3.75Å; F738-L744 HydrophobicContact CD2-CG 4.45Å; F738-L744 HydrophobicContact CE2-CD1 3.97Å; F738-L744 HydrophobicContact CG-CB 4.11Å; K740-L744 PolarHBondContact O-N 3.43Å; P741-L744 PolarHBondContact O-N 3.34Å; S742-L744 VanDerWaalsContact C-N 3.25Å; S742-L744 PolarHBondContact O-N 3.17Å; L744-R748 WeakPolarHBondContact O-CB 3.32Å; L744-R748 PolarHBondContact O-N 3.48Å
745L86.9Confident81.3Confident112 Ų11258 Ų5859%0.58634%0.343SS*.Hα-helixtrans-68.7-42.2178.1-73.4168.7000112.4P741 S742 R748 S749P741-L745 WeakPolarHBondContact O-CG 3.44Å; P741-L745 PolarHBondContact O-N 3.01Å; S742-L745 CarbonylContact O-C 3.51Å; S742-L745 WeakPolarHBondContact O-CA 3.32Å; S742-L745 WeakPolarHBondContact O-CB 3.39Å; S742-L745 PolarHBondContact O-N 3.47Å; L745-R748 CarbonylContact O-C 3.58Å; L745-R748 PolarHBondContact O-N 3.32Å; L745-R748 VanDerWaalsContact O-N 3.16Å; L745-S749 PolarHBondContact O-N 3.37Å; L745-S749 PolarHBondContact O-OG 2.79Å
746D85.8Confident81.2Confident100 Ų10058.2 Ų58.254%0.53534%0.337SS..Hα-helixtrans-67.1-39.3177.5-59.1-36.6000111S742 S749 S750S742-D746 VanDerWaalsContact O-CG 3.23Å; S742-D746 PolarHBondContact O-N 2.89Å; S742-D746 VanDerWaalsContact O-OD2 3.07Å; D746-S749 WeakPolarHBondContact CA-OG 3.5Å; D746-S749 PolarHBondContact O-OG 3.42Å; D746-S750 VanDerWaalsContact O-CB 3.27Å; D746-S750 WeakPolarHBondContact O-CB 3.41Å; D746-S750 PolarHBondContact O-N 3.24Å; D746-S750 PolarHBondContact O-OG 3.25Å
747H85.8Confident81.1Confident16 Ų1656.3 Ų56.37%0.07433%0.328CS..Hα-helixtrans-62.5-42.6168.4165.877.2000112.2C731 C734 F738 A743 S750 L751 H752C731-H747 PolarHBondContact SG-NE2 3.1Å; C734-H747 PolarHBondContact SG-CE1 2.93Å; C734-H747 PolarHBondContact SG-NE2 3.49Å; F738-H747 HydrophobicContact CE1-CB 3.85Å; F738-H747 HydrophobicContact CE2-CB 4.24Å; F738-H747 AromaticContact CE2-CD2 3.56Å; F738-H747 AromaticContact CE2-CG 3.81Å; F738-H747 HydrophobicContact CZ-CB 3.58Å; F738-H747 AromaticContact CZ-CD2 3.52Å; F738-H747 AromaticContact CZ-CE1 4Å; F738-H747 AromaticContact CZ-CG 3.26Å; F738-H747 AromaticContact CZ-ND1 3.59Å; F738-H747 AromaticContact CZ-NE2 3.97Å; A743-H747 WeakPolarHBondContact O-CB 3.15Å; A743-H747 PolarHBondContact O-N 3.31Å; H747-S750 PolarHBondContact O-OG 3.34Å; H747-L751 PolarHBondContact O-N 3.01Å; H747-H752 AromaticContact CD2-CD2 3.94Å; H747-H752 AromaticContact CE1-CD2 3.94Å; H747-H752 AromaticContact CE1-NE2 3.59Å; H747-H752 AromaticContact NE2-CD2 3.42Å; H747-H752 PolarHBondContact NE2-CD2 3.19Å; H747-H752 AromaticContact NE2-NE2 3.19Å; H747-H752 PolarHBondContact NE2-NE2 2.95Å; H747-H752 VanDerWaalsContact NE2-NE2 3.19Å
748R83.6Confident81.1Confident93 Ų9355.9 Ų55.935%0.35133%0.326SS..Hα-helixtrans-67.7-36.9178.6-170.4-176.2-170119.56.8112.1E732 F733 L744 L745 H752 G753E732-R748 IonicContact OE2-CZ 2.71Å; E732-R748 IonicContact OE2-NH1 2.69Å; E732-R748 PolarHBondContact OE2-NH1 3.39Å; E732-R748 IonicContact OE2-NH2 2.62Å; E732-R748 PolarHBondContact OE2-NH2 3.49Å; F733-R748 HydrophobicContact CE2-CG 4.43Å; L744-R748 WeakPolarHBondContact O-CB 3.32Å; L744-R748 PolarHBondContact O-N 3.48Å; L745-R748 CarbonylContact O-C 3.58Å; L745-R748 PolarHBondContact O-N 3.32Å; L745-R748 VanDerWaalsContact O-N 3.16Å; R748-H752 HydrophobicContact CG-CB 4.28Å; R748-H752 CarbonylContact O-C 3.54Å; R748-H752 WeakPolarHBondContact O-CA 3.16Å; R748-H752 VanDerWaalsContact O-CB 3.29Å; R748-H752 WeakPolarHBondContact O-CB 3.2Å; R748-H752 PolarHBondContact O-N 2.87Å; R748-H752 VanDerWaalsContact O-N 3.14Å; R748-G753 PolarHBondContact O-N 3.35Å
749S81.4Confident81Confident79 Ų7955.4 Ų55.455%0.55233%0.325SS*.Hα-helixtrans-74-43.9177.563.10000111.8L745 D746 G753L745-S749 PolarHBondContact O-N 3.37Å; L745-S749 PolarHBondContact O-OG 2.79Å; D746-S749 WeakPolarHBondContact CA-OG 3.5Å; D746-S749 PolarHBondContact O-OG 3.42Å; S749-G753 VanDerWaalsContact O-CA 3.26Å; S749-G753 WeakPolarHBondContact O-CA 3.33Å; S749-G753 PolarHBondContact O-N 3.12Å
750S80.9Confident81.1Confident65 Ų6554 Ų5446%0.45531%0.31SS..Hα-helixtrans-76-41.7-176.559.50000114.3D746 H747D746-S750 VanDerWaalsContact O-CB 3.27Å; D746-S750 WeakPolarHBondContact O-CB 3.41Å; D746-S750 PolarHBondContact O-N 3.24Å; D746-S750 PolarHBondContact O-OG 3.25Å; H747-S750 PolarHBondContact O-OG 3.34Å
751L78.1Confident80.9Confident36 Ų3650 Ų5019%0.18830%0.3CS..Hα-helixtrans-103.3-24.8-176.6-58.7-171.2000114H747 Y769 L770 C771H747-L751 PolarHBondContact O-N 3.01Å; L751-Y769 WeakPolarHBondContact O-CB 3.42Å; L751-L770 HydrophobicContact CD2-CB 4.26Å; L751-L770 HydrophobicContact CD2-CD2 3.93Å; L751-L770 HydrophobicContact CD2-CG 4.18Å; L751-L770 PolarHBondContact O-N 3.3Å; L751-C771 HydrophobicContact CB-CB 4.26Å
752H77.7Confident80.6Confident5 Ų549.3 Ų49.32%0.02330%0.3CS..Hα-helixtrans-11916.8-177.9-55.2-75.5000113.5C731 F733 C734 H747 R748 V754 Y769 C771C731-H752 PolarHBondContact SG-NE2 2.97Å; F733-H752 WeakPolarHBondContact CB-CE1 3.15Å; F733-H752 VanDerWaalsContact CB-ND1 3.28Å; F733-H752 WeakPolarHBondContact CB-ND1 3.47Å; F733-H752 HydrophobicContact CD2-CB 3.74Å; F733-H752 AromaticContact CD2-CG 3.59Å; F733-H752 AromaticContact CD2-ND1 3.74Å; F733-H752 HydrophobicContact CE2-CB 4.07Å; F733-H752 HydrophobicContact CG-CB 4.49Å; F733-H752 AromaticContact CG-ND1 3.71Å; C734-H752 PolarHBondContact SG-NE2 2.82Å; C734-H752 VanDerWaalsContact SG-NE2 3.37Å; H747-H752 AromaticContact CD2-CD2 3.94Å; H747-H752 AromaticContact CE1-CD2 3.94Å; H747-H752 AromaticContact CE1-NE2 3.59Å; H747-H752 AromaticContact NE2-CD2 3.42Å; H747-H752 PolarHBondContact NE2-CD2 3.19Å; H747-H752 AromaticContact NE2-NE2 3.19Å; H747-H752 PolarHBondContact NE2-NE2 2.95Å; H747-H752 VanDerWaalsContact NE2-NE2 3.19Å; R748-H752 HydrophobicContact CG-CB 4.28Å; R748-H752 CarbonylContact O-C 3.54Å; R748-H752 WeakPolarHBondContact O-CA 3.16Å; R748-H752 VanDerWaalsContact O-CB 3.29Å; R748-H752 WeakPolarHBondContact O-CB 3.2Å; R748-H752 PolarHBondContact O-N 2.87Å; R748-H752 VanDerWaalsContact O-N 3.14Å; H752-V754 PolarHBondContact O-N 3.37Å; H752-Y769 HydrophobicContact CB-CD1 4.15Å; H752-Y769 HydrophobicContact CB-CE1 4.39Å; H752-Y769 VanDerWaalsContact O-CE1 3.31Å; H752-Y769 WeakPolarHBondContact O-CE1 3.26Å; H752-C771 PolarHBondContact CE1-SG 3.37Å; H752-C771 PolarHBondContact ND1-SG 2.89Å
753G74.8Confident80.5Confident20 Ų2048.3 Ų48.321%0.20629%0.292CS..  trans-63.5122.3-179.200000112.4R748 S749 G755R748-G753 PolarHBondContact O-N 3.35Å; S749-G753 VanDerWaalsContact O-CA 3.26Å; S749-G753 WeakPolarHBondContact O-CA 3.33Å; S749-G753 PolarHBondContact O-N 3.12Å; G753-G755 PolarHBondContact O-N 3.44Å
754V64.5Low80.4Confident114 Ų11452 Ų5269%0.69131%0.311SS*.THydrogen-bonded Turntrans-81.2117.8178-179.20000109.7H752 Y769H752-V754 PolarHBondContact O-N 3.37Å; V754-Y769 HydrophobicContact CG2-CE1 4.23Å
755G64.5Low80.2Confident27 Ų2755.7 Ų55.728%0.27833%0.326SS..THydrogen-bonded Turntrans144.4-18176.400000114.6G753G753-G755 PolarHBondContact O-N 3.44Å
756K70Confident80.2Confident83 Ų8356.7 Ų56.736%0.36133%0.327SS..  trans-111132.2179.1-65.3172.8171.6-134.10109.7Y758 E790K756-Y758 HydrophobicContact CB-CE1 4.47Å; K756-Y758 HydrophobicContact CB-CE2 3.92Å; K756-E790 HydrophobicContact CB-CG 4.04Å; K756-E790 VanDerWaalsContact CD-CD 3.4Å; K756-E790 HydrophobicContact CD-CG 4.09Å; K756-E790 VanDerWaalsContact CD-OE1 3.3Å; K756-E790 WeakPolarHBondContact CD-OE1 3.27Å; K756-E790 WeakPolarHBondContact CD-OE2 3.43Å; K756-E790 WeakPolarHBondContact CE-OE1 3.43Å; K756-E790 HydrophobicContact CG-CG 4.05Å; K756-E790 IonicContact NZ-OE1 3.92Å; K756-E790 PolarHBondContact NZ-OE1 2.65Å; K756-E790 IonicContact NZ-OE2 2.77Å; K756-E790 PolarHBondContact NZ-OE2 3.14Å
757T78.4Confident80.1Confident17 Ų1753.6 Ų53.610%0.10431%0.309CS..EExtended strand (participates in β ladder)trans-103.7126.4170.339.20000110.1E791T757-E791 PolarHBondContact N-O 3.34Å; T757-E791 PolarHBondContact O-N 3.34Å; T757-E791 VanDerWaalsContact O-N 3.15Å; T757-E791 PolarHBondContact OG1-O 3.4Å
758Y83.8Confident79.9Confident9 Ų956.3 Ų56.34%0.03533%0.327CS..EExtended strand (participates in β ladder)trans-104.1110.5-174.4-59.3-84.8000109.7K756 F767 L770 H788K756-Y758 HydrophobicContact CB-CE1 4.47Å; K756-Y758 HydrophobicContact CB-CE2 3.92Å; Y758-F767 PolarHBondContact N-O 3.15Å; Y758-F767 PolarHBondContact O-N 3.41Å; Y758-L770 HydrophobicContact CD1-CB 4.07Å; Y758-L770 HydrophobicContact CD1-CD1 3.81Å; Y758-L770 HydrophobicContact CD1-CG 4.4Å; Y758-L770 HydrophobicContact CD2-CB 4.2Å; Y758-L770 HydrophobicContact CE1-CB 3.85Å; Y758-L770 HydrophobicContact CE1-CD1 4.12Å; Y758-L770 HydrophobicContact CE1-CD2 4.25Å; Y758-L770 HydrophobicContact CE1-CG 4.29Å; Y758-L770 HydrophobicContact CE2-CB 3.98Å; Y758-L770 HydrophobicContact CG-CB 4.24Å; Y758-L770 HydrophobicContact CG-CD1 4.35Å; Y758-H788 AromaticContact CD1-CD2 3.64Å
759V83.2Confident79.9Confident21 Ų2154.1 Ų54.113%0.12732%0.319CS..EExtended strand (participates in β ladder)trans-93.3132.1179.5-164.50000110.4S761 K765 E766 H788 T789V759-S761 PolarHBondContact O-N 3.35Å; V759-K765 WeakPolarHBondContact CA-O 3.47Å; V759-E766 HydrophobicContact CG2-CG 4.33Å; V759-H788 WeakPolarHBondContact O-CA 3.25Å; V759-T789 WeakPolarHBondContact CB-OG1 3.46Å; V759-T789 PolarHBondContact N-O 2.8Å
760C86.8Confident80Confident2 Ų251.3 Ų51.31%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-73.5120.7169.8-173.80000110.7A762 T764 K765 F767 L773C760-A762 VanDerWaalsContact C-N 3.3Å; C760-A762 PolarHBondContact O-N 2.82Å; C760-T764 WeakPolarHBondContact O-CA 3.42Å; C760-T764 PolarHBondContact O-N 2.71Å; C760-K765 PolarHBondContact N-O 3.38Å; C760-F767 HydrophobicContact CB-CE2 4.25Å; C760-L773 HydrophobicContact CB-CD1 3.43Å; C760-L773 VanDerWaalsContact CB-CD1 3.43Å
761S83.1Confident80Confident62 Ų6249 Ų4943%0.43428%0.281SS..THydrogen-bonded Turntrans-59.6-36.7173.952.90000113.6V759 C763 S787V759-S761 PolarHBondContact O-N 3.35Å; S761-C763 PolarHBondContact O-N 2.87Å; S761-S787 VanDerWaalsContact CB-O 3.22Å; S761-S787 WeakPolarHBondContact CB-O 3.04Å; S761-S787 VanDerWaalsContact CB-OG 3.28Å; S761-S787 WeakPolarHBondContact CB-OG 3.03Å; S761-S787 PolarHBondContact N-O 3.28Å; S761-S787 PolarHBondContact OG-O 3.05Å; S761-S787 VanDerWaalsContact OG-O 3.05Å; S761-S787 PolarHBondContact OG-OG 2.99Å
762A81.2Confident80.3Confident47 Ų4750.2 Ų50.239%0.38829%0.288SS..THydrogen-bonded Turntrans-74.7-23.7-173.100000114.9C760 H781C760-A762 VanDerWaalsContact C-N 3.3Å; C760-A762 PolarHBondContact O-N 2.82Å; A762-H781 HydrophobicContact CB-CB 4.18Å
763C86.3Confident80.7Confident41 Ų4150 Ų5028%0.27729%0.287SS..THydrogen-bonded Turntrans-147.918178.481.30000115.4S761 K765 H776 H781S761-C763 PolarHBondContact O-N 2.87Å; C763-K765 PolarHBondContact O-N 3.42Å; C763-K765 VanDerWaalsContact SG-CD 3.54Å; C763-K765 WeakPolarHBondContact SG-CG 3.39Å; C763-H776 VanDerWaalsContact SG-CE1 3.51Å; C763-H776 PolarHBondContact SG-NE2 3.11Å; C763-H781 WeakPolarHBondContact CB-NE2 3.44Å; C763-H781 PolarHBondContact SG-NE2 2.8Å; C763-H781 VanDerWaalsContact SG-NE2 3.38Å
764T83.7Confident81.1Confident113 Ų11353.6 Ų53.669%0.69330%0.297SS*.  trans50.524177.260.10000116.4C760C760-T764 WeakPolarHBondContact O-CA 3.42Å; C760-T764 PolarHBondContact O-N 2.71Å
765K84.2Confident82Confident108 Ų10853.3 Ų53.347%0.4729%0.288SS..  trans-76.2129173.6-75.8178.7-164.9-54.90110.8V759 C760 C763 F767V759-K765 WeakPolarHBondContact CA-O 3.47Å; C760-K765 PolarHBondContact N-O 3.38Å; C763-K765 PolarHBondContact O-N 3.42Å; C763-K765 VanDerWaalsContact SG-CD 3.54Å; C763-K765 WeakPolarHBondContact SG-CG 3.39Å; K765-F767 HydrophobicContact CB-CD2 4.4Å; K765-F767 HydrophobicContact CB-CE2 3.45Å; K765-F767 VanDerWaalsContact CB-CE2 3.45Å; K765-F767 HydrophobicContact CB-CZ 3.73Å; K765-F767 HydrophobicContact CD-CZ 4.18Å; K765-F767 WeakPolarHBondContact O-CD2 3.49Å; K765-F767 WeakPolarHBondContact O-CE2 3.47Å
766E85.6Confident83.1Confident132 Ų13252.7 Ų52.762%0.61728%0.278SS*.EExtended strand (participates in β ladder)trans-83.2136.6172.6-58.5178.6-170.400111.1V759V759-E766 HydrophobicContact CG2-CG 4.33Å
767F84.6Confident83.8Confident35 Ų3549.5 Ų49.515%0.15426%0.264CS..EExtended strand (participates in β ladder)trans-128.2135.9174.6-61.8-88.5000110.4Y758 C760 K765 Y769 N772 L773 H776Y758-F767 PolarHBondContact N-O 3.15Å; Y758-F767 PolarHBondContact O-N 3.41Å; C760-F767 HydrophobicContact CB-CE2 4.25Å; K765-F767 HydrophobicContact CB-CD2 4.4Å; K765-F767 HydrophobicContact CB-CE2 3.45Å; K765-F767 VanDerWaalsContact CB-CE2 3.45Å; K765-F767 HydrophobicContact CB-CZ 3.73Å; K765-F767 HydrophobicContact CD-CZ 4.18Å; K765-F767 WeakPolarHBondContact O-CD2 3.49Å; K765-F767 WeakPolarHBondContact O-CE2 3.47Å; F767-Y769 PolarHBondContact O-N 3.48Å; F767-N772 HydrophobicContact CB-CB 4.4Å; F767-N772 HydrophobicContact CD1-CB 3.77Å; F767-N772 HydrophobicContact CG-CB 4.4Å; F767-L773 HydrophobicContact CB-CB 4.19Å; F767-L773 HydrophobicContact CD2-CB 3.88Å; F767-L773 HydrophobicContact CD2-CD1 3.87Å; F767-L773 HydrophobicContact CD2-CG 4.41Å; F767-L773 HydrophobicContact CE2-CD1 3.97Å; F767-L773 HydrophobicContact CG-CB 4.09Å; F767-H776 HydrophobicContact CE1-CB 3.91Å; F767-H776 HydrophobicContact CE2-CB 4.25Å; F767-H776 AromaticContact CE2-CD2 3.2Å; F767-H776 WeakPolarHBondContact CE2-CD2 3.19Å; F767-H776 AromaticContact CE2-CG 3.86Å; F767-H776 AromaticContact CE2-NE2 3.91Å; F767-H776 HydrophobicContact CZ-CB 3.57Å; F767-H776 AromaticContact CZ-CD2 3.16Å; F767-H776 WeakPolarHBondContact CZ-CD2 3.34Å; F767-H776 AromaticContact CZ-CG 3.32Å; F767-H776 AromaticContact CZ-NE2 3.91Å
768V81.9Confident84Confident74 Ų7454.4 Ų54.445%0.44829%0.29SS..SBendtrans-73.4-17.5176.9-1740000111.9
769Y82.9Confident84Confident46 Ų4660 Ų6018%0.1832%0.317CS..SBendtrans-137135.1-174.6-55.3-47.6000111.1F733 L751 H752 V754 F767 C771 N772 L773F733-Y769 HydrophobicContact CD1-CE2 4.23Å; F733-Y769 HydrophobicContact CE1-CE2 4.38Å; L751-Y769 WeakPolarHBondContact O-CB 3.42Å; H752-Y769 HydrophobicContact CB-CD1 4.15Å; H752-Y769 HydrophobicContact CB-CE1 4.39Å; H752-Y769 VanDerWaalsContact O-CE1 3.31Å; H752-Y769 WeakPolarHBondContact O-CE1 3.26Å; V754-Y769 HydrophobicContact CG2-CE1 4.23Å; F767-Y769 PolarHBondContact O-N 3.48Å; Y769-C771 VanDerWaalsContact C-N 3.28Å; Y769-C771 VanDerWaalsContact CB-SG 3.52Å; Y769-C771 PolarHBondContact O-N 2.64Å; Y769-N772 WeakPolarHBondContact O-CB 3.28Å; Y769-N772 PolarHBondContact O-N 3.35Å; Y769-L773 PolarHBondContact O-N 3.19Å
770L83.5Confident83.9Confident20 Ų2064.1 Ų64.111%0.10534%0.337CS..Hα-helixtrans-65.7-30.4-176.2-179.557.5000112.5L751 Y758 N772 L773 K774L751-L770 HydrophobicContact CD2-CB 4.26Å; L751-L770 HydrophobicContact CD2-CD2 3.93Å; L751-L770 HydrophobicContact CD2-CG 4.18Å; L751-L770 PolarHBondContact O-N 3.3Å; Y758-L770 HydrophobicContact CD1-CB 4.07Å; Y758-L770 HydrophobicContact CD1-CD1 3.81Å; Y758-L770 HydrophobicContact CD1-CG 4.4Å; Y758-L770 HydrophobicContact CD2-CB 4.2Å; Y758-L770 HydrophobicContact CE1-CB 3.85Å; Y758-L770 HydrophobicContact CE1-CD1 4.12Å; Y758-L770 HydrophobicContact CE1-CD2 4.25Å; Y758-L770 HydrophobicContact CE1-CG 4.29Å; Y758-L770 HydrophobicContact CE2-CB 3.98Å; Y758-L770 HydrophobicContact CG-CB 4.24Å; Y758-L770 HydrophobicContact CG-CD1 4.35Å; L770-N772 VanDerWaalsContact C-N 3.28Å; L770-N772 PolarHBondContact O-N 3.18Å; L770-L773 HydrophobicContact CD1-CD2 4.38Å; L770-L773 PolarHBondContact O-N 3.34Å; L770-K774 HydrophobicContact CD1-CG 4.46Å; L770-K774 HydrophobicContact CG-CD 4.43Å; L770-K774 WeakPolarHBondContact O-CG 3.28Å; L770-K774 PolarHBondContact O-N 3.21Å
771C82.1Confident83.8Confident17 Ų1766 Ų6612%0.11535%0.346CS..Hα-helixtrans-58.4-38.9171.357.90000112.7L751 H752 Y769 K774 Q775L751-C771 HydrophobicContact CB-CB 4.26Å; H752-C771 PolarHBondContact CE1-SG 3.37Å; H752-C771 PolarHBondContact ND1-SG 2.89Å; Y769-C771 VanDerWaalsContact C-N 3.28Å; Y769-C771 VanDerWaalsContact CB-SG 3.52Å; Y769-C771 PolarHBondContact O-N 2.64Å; C771-K774 PolarHBondContact O-N 2.86Å; C771-Q775 WeakPolarHBondContact O-CB 3.22Å; C771-Q775 PolarHBondContact O-N 3.08Å
772N83.9Confident83.6Confident61 Ų6167.7 Ų67.733%0.32636%0.356SS..Hα-helixtrans-74.6-36-176.4-67.310.9000110.1F767 Y769 L770 H776F767-N772 HydrophobicContact CB-CB 4.4Å; F767-N772 HydrophobicContact CD1-CB 3.77Å; F767-N772 HydrophobicContact CG-CB 4.4Å; Y769-N772 WeakPolarHBondContact O-CB 3.28Å; Y769-N772 PolarHBondContact O-N 3.35Å; L770-N772 VanDerWaalsContact C-N 3.28Å; L770-N772 PolarHBondContact O-N 3.18Å; N772-H776 WeakPolarHBondContact O-CB 3.46Å; N772-H776 PolarHBondContact O-N 3.46Å
773L86.4Confident82.9Confident2 Ų269.5 Ų69.51%0.0138%0.379CS..Hα-helixtrans-62.6-49.3169.4174.354.7000111.2C760 F767 Y769 L770 Q775 H776 Q777 H788C760-L773 HydrophobicContact CB-CD1 3.43Å; C760-L773 VanDerWaalsContact CB-CD1 3.43Å; F767-L773 HydrophobicContact CB-CB 4.19Å; F767-L773 HydrophobicContact CD2-CB 3.88Å; F767-L773 HydrophobicContact CD2-CD1 3.87Å; F767-L773 HydrophobicContact CD2-CG 4.41Å; F767-L773 HydrophobicContact CE2-CD1 3.97Å; F767-L773 HydrophobicContact CG-CB 4.09Å; Y769-L773 PolarHBondContact O-N 3.19Å; L770-L773 HydrophobicContact CD1-CD2 4.38Å; L770-L773 PolarHBondContact O-N 3.34Å; L773-Q775 PolarHBondContact O-N 3.37Å; L773-H776 PolarHBondContact O-N 3.09Å; L773-Q777 WeakPolarHBondContact O-CB 3.39Å; L773-Q777 PolarHBondContact O-N 3.47Å; L773-H788 HydrophobicContact CD2-CB 3.5Å; L773-H788 VanDerWaalsContact CD2-CB 3.5Å
774K83.3Confident82.1Confident95 Ų9573.5 Ų73.541%0.41339%0.393SS..Hα-helixtrans-59.1-44.2178.1-74.5-179.6176.6-176.10112.3L770 C771 Q777 N778L770-K774 HydrophobicContact CD1-CG 4.46Å; L770-K774 HydrophobicContact CG-CD 4.43Å; L770-K774 WeakPolarHBondContact O-CG 3.28Å; L770-K774 PolarHBondContact O-N 3.21Å; C771-K774 PolarHBondContact O-N 2.86Å; K774-Q777 PolarHBondContact O-N 3.38Å; K774-N778 WeakPolarHBondContact O-CB 3.29Å; K774-N778 PolarHBondContact O-N 2.82Å; K774-N778 PolarHBondContact O-OD1 3.28Å
775Q83.6Confident80.8Confident107 Ų10776.1 Ų76.150%0.540%0.398SS..Hα-helixtrans-62.4-50.9174.6-179.1177.4-1.100111.3C771 L773 Q777 N778 E779C771-Q775 WeakPolarHBondContact O-CB 3.22Å; C771-Q775 PolarHBondContact O-N 3.08Å; L773-Q775 PolarHBondContact O-N 3.37Å; Q775-Q777 VanDerWaalsContact C-N 3.27Å; Q775-Q777 PolarHBondContact O-N 2.96Å; Q775-N778 PolarHBondContact O-N 3.22Å; Q775-E779 HydrophobicContact CG-CG 4.28Å; Q775-E779 WeakPolarHBondContact CG-OE1 3.49Å; Q775-E779 PolarHBondContact NE2-OE1 3.41Å; Q775-E779 WeakPolarHBondContact O-CB 3.38Å; Q775-E779 WeakPolarHBondContact O-CG 3.5Å; Q775-E779 PolarHBondContact O-N 3.49Å
776H85.8Confident79.5Confident14 Ų1473.4 Ų73.47%0.06539%0.392CS..Hα-helixtrans-55.5-42.1178157.650.9000112.6C763 F767 N772 L773 E779 L780 H781C763-H776 VanDerWaalsContact SG-CE1 3.51Å; C763-H776 PolarHBondContact SG-NE2 3.11Å; F767-H776 HydrophobicContact CE1-CB 3.91Å; F767-H776 HydrophobicContact CE2-CB 4.25Å; F767-H776 AromaticContact CE2-CD2 3.2Å; F767-H776 WeakPolarHBondContact CE2-CD2 3.19Å; F767-H776 AromaticContact CE2-CG 3.86Å; F767-H776 AromaticContact CE2-NE2 3.91Å; F767-H776 HydrophobicContact CZ-CB 3.57Å; F767-H776 AromaticContact CZ-CD2 3.16Å; F767-H776 WeakPolarHBondContact CZ-CD2 3.34Å; F767-H776 AromaticContact CZ-CG 3.32Å; F767-H776 AromaticContact CZ-NE2 3.91Å; N772-H776 WeakPolarHBondContact O-CB 3.46Å; N772-H776 PolarHBondContact O-N 3.46Å; L773-H776 PolarHBondContact O-N 3.09Å; H776-E779 PolarHBondContact O-N 2.86Å; H776-L780 WeakPolarHBondContact O-CB 3.34Å; H776-L780 PolarHBondContact O-N 3Å; H776-H781 AromaticContact CE1-CD2 3.49Å; H776-H781 PolarHBondContact CE1-CD2 3.07Å; H776-H781 VanDerWaalsContact CE1-CD2 3.49Å; H776-H781 AromaticContact CE1-NE2 3.36Å; H776-H781 PolarHBondContact CE1-NE2 3.09Å; H776-H781 AromaticContact NE2-CD2 3.6Å; H776-H781 AromaticContact NE2-NE2 3.65Å
777Q85.2Confident78.3Confident16 Ų1670.6 Ų70.68%0.07539%0.386CS..Hα-helixtrans-67.9-44.6178-177.6-179.1-23.500111.5L773 K774 Q775 E779 H781 Q784 Q785 C786L773-Q777 WeakPolarHBondContact O-CB 3.39Å; L773-Q777 PolarHBondContact O-N 3.47Å; K774-Q777 PolarHBondContact O-N 3.38Å; Q775-Q777 VanDerWaalsContact C-N 3.27Å; Q775-Q777 PolarHBondContact O-N 2.96Å; Q777-E779 VanDerWaalsContact C-N 3.28Å; Q777-E779 PolarHBondContact O-N 3.2Å; Q777-H781 HydrophobicContact CG-CB 4.19Å; Q777-H781 CarbonylContact O-C 3.37Å; Q777-H781 WeakPolarHBondContact O-CA 3.47Å; Q777-H781 PolarHBondContact O-N 3.29Å; Q777-Q784 PolarHBondContact NE2-O 3.42Å; Q777-Q785 PolarHBondContact NE2-O 3.42Å; Q777-C786 VanDerWaalsContact NE2-CA 3.29Å; Q777-C786 VanDerWaalsContact OE1-CA 3.3Å; Q777-C786 PolarHBondContact OE1-SG 2.83Å
778N83.9Confident77.4Confident121 Ų12172.2 Ų72.265%0.64740%0.395SS*.Hα-helixtrans-62.5-35.1175.7-70.1-3.4000112.3K774 Q775K774-N778 WeakPolarHBondContact O-CB 3.29Å; K774-N778 PolarHBondContact O-N 2.82Å; K774-N778 PolarHBondContact O-OD1 3.28Å; Q775-N778 PolarHBondContact O-N 3.22Å
779E83Confident76.5Confident126 Ų12673 Ų7359%0.58940%0.399SS*.Hα-helixtrans-82.6-39.6-178.3-72.4178-179.700114Q775 H776 Q777Q775-E779 HydrophobicContact CG-CG 4.28Å; Q775-E779 WeakPolarHBondContact CG-OE1 3.49Å; Q775-E779 PolarHBondContact NE2-OE1 3.41Å; Q775-E779 WeakPolarHBondContact O-CB 3.38Å; Q775-E779 WeakPolarHBondContact O-CG 3.5Å; Q775-E779 PolarHBondContact O-N 3.49Å; H776-E779 PolarHBondContact O-N 2.86Å; Q777-E779 VanDerWaalsContact C-N 3.28Å; Q777-E779 PolarHBondContact O-N 3.2Å
780L82.1Confident75.5Confident108 Ų10874.7 Ų74.757%0.56541%0.409SS*.Hα-helixtrans-115.2-15.3-171.6-55.9-171.1000114.6H776 P782H776-L780 WeakPolarHBondContact O-CB 3.34Å; H776-L780 PolarHBondContact O-N 3Å; L780-P782 VanDerWaalsContact C-CD 3.42Å
781H83.7Confident74.3Confident40 Ų4077 Ų7719%0.18542%0.419CS..SBendtrans-133.148.1-179.5-57.6-57.5000112.9A762 C763 H776 Q777 G783 Q784A762-H781 HydrophobicContact CB-CB 4.18Å; C763-H781 WeakPolarHBondContact CB-NE2 3.44Å; C763-H781 PolarHBondContact SG-NE2 2.8Å; C763-H781 VanDerWaalsContact SG-NE2 3.38Å; H776-H781 AromaticContact CE1-CD2 3.49Å; H776-H781 PolarHBondContact CE1-CD2 3.07Å; H776-H781 VanDerWaalsContact CE1-CD2 3.49Å; H776-H781 AromaticContact CE1-NE2 3.36Å; H776-H781 PolarHBondContact CE1-NE2 3.09Å; H776-H781 AromaticContact NE2-CD2 3.6Å; H776-H781 AromaticContact NE2-NE2 3.65Å; Q777-H781 HydrophobicContact CG-CB 4.19Å; Q777-H781 CarbonylContact O-C 3.37Å; Q777-H781 WeakPolarHBondContact O-CA 3.47Å; Q777-H781 PolarHBondContact O-N 3.29Å; H781-G783 PolarHBondContact O-N 3.19Å; H781-Q784 HydrophobicContact CB-CB 4.18Å; H781-Q784 HydrophobicContact CB-CG 4.2Å; H781-Q784 WeakPolarHBondContact O-CB 3.43Å; H781-Q784 PolarHBondContact O-N 2.86Å; H781-Q784 VanDerWaalsContact O-N 3.13Å
782P78.1Confident72.9Confident99 Ų9983.7 Ų83.764%0.64345%0.449SS*.THydrogen-bonded Turntrans-57.4134-179.726.4-35.5000111.1L780 Q784L780-P782 VanDerWaalsContact C-CD 3.42Å; P782-Q784 VanDerWaalsContact C-N 3.31Å; P782-Q784 PolarHBondContact O-N 3.26Å
783G66.8Low71.1Confident85 Ų8585.8 Ų85.888%0.87646%0.455SS*.THydrogen-bonded Turntrans82-7.4-178.600000115.9H781H781-G783 PolarHBondContact O-N 3.19Å
784Q70.4Confident69.4Low125 Ų12588.1 Ų88.158%0.58448%0.479SS*.  trans-81.3148.3170.5-63.9-62.1-35.600111Q777 H781 P782Q777-Q784 PolarHBondContact NE2-O 3.42Å; H781-Q784 HydrophobicContact CB-CB 4.18Å; H781-Q784 HydrophobicContact CB-CG 4.2Å; H781-Q784 WeakPolarHBondContact O-CB 3.43Å; H781-Q784 PolarHBondContact O-N 2.86Å; H781-Q784 VanDerWaalsContact O-N 3.13Å; P782-Q784 VanDerWaalsContact C-N 3.31Å; P782-Q784 PolarHBondContact O-N 3.26Å
785Q56.9Low67.4Low168 Ų16893.2 Ų93.279%0.78550%0.502SS*.  trans-78.7148.8178.4-74.9-162.7-0.300113.1Q777 S787Q777-Q785 PolarHBondContact NE2-O 3.42Å; Q785-S787 PolarHBondContact O-N 3.01Å
786C55.5Low65.3Low51 Ų5193.2 Ų93.235%0.34550%0.504SS..  trans-80.550-175.8-169.30000113.2Q777 H788Q777-C786 VanDerWaalsContact NE2-CA 3.29Å; Q777-C786 VanDerWaalsContact OE1-CA 3.3Å; Q777-C786 PolarHBondContact OE1-SG 2.83Å; C786-H788 PolarHBondContact O-N 3.49Å; C786-H788 PolarHBondContact O-ND1 3.02Å
787S61.9Low62.6Low72 Ų72101.9 Ų101.950%0.50354%0.537SS..  trans-69.6102168.447.20000109.2S761 Q785S761-S787 VanDerWaalsContact CB-O 3.22Å; S761-S787 WeakPolarHBondContact CB-O 3.04Å; S761-S787 VanDerWaalsContact CB-OG 3.28Å; S761-S787 WeakPolarHBondContact CB-OG 3.03Å; S761-S787 PolarHBondContact N-O 3.28Å; S761-S787 PolarHBondContact OG-O 3.05Å; S761-S787 VanDerWaalsContact OG-O 3.05Å; S761-S787 PolarHBondContact OG-OG 2.99Å; Q785-S787 PolarHBondContact O-N 3.01Å
788H63.9Low60.1Low70 Ų70107.4 Ų107.432%0.32457%0.574SS.*EExtended strand (participates in β ladder)trans-109.1129.4173.264.8-84.3000108.8Y758 V759 L773 C786 E790Y758-H788 AromaticContact CD1-CD2 3.64Å; V759-H788 WeakPolarHBondContact O-CA 3.25Å; L773-H788 HydrophobicContact CD2-CB 3.5Å; L773-H788 VanDerWaalsContact CD2-CB 3.5Å; C786-H788 PolarHBondContact O-N 3.49Å; C786-H788 PolarHBondContact O-ND1 3.02Å; H788-E790 PolarHBondContact O-N 2.96Å
789T63.9Low57.5Low90 Ų90107.9 Ų107.955%0.55257%0.572SS**EExtended strand (participates in β ladder)trans-80.4112.616452.60000107.1V759 E791V759-T789 WeakPolarHBondContact CB-OG1 3.46Å; V759-T789 PolarHBondContact N-O 2.8Å; T789-E791 PolarHBondContact O-N 3.05Å
790E62.5Low54.9Low82 Ų82108.8 Ų108.838%0.38358%0.581SS.*EExtended strand (participates in β ladder)trans-77.6109167.8-170-167.4121.500108.6K756 H788K756-E790 HydrophobicContact CB-CG 4.04Å; K756-E790 VanDerWaalsContact CD-CD 3.4Å; K756-E790 HydrophobicContact CD-CG 4.09Å; K756-E790 VanDerWaalsContact CD-OE1 3.3Å; K756-E790 WeakPolarHBondContact CD-OE1 3.27Å; K756-E790 WeakPolarHBondContact CD-OE2 3.43Å; K756-E790 WeakPolarHBondContact CE-OE1 3.43Å; K756-E790 HydrophobicContact CG-CG 4.05Å; K756-E790 IonicContact NZ-OE1 3.92Å; K756-E790 PolarHBondContact NZ-OE1 2.65Å; K756-E790 IonicContact NZ-OE2 2.77Å; K756-E790 PolarHBondContact NZ-OE2 3.14Å; H788-E790 PolarHBondContact O-N 2.96Å
791E57.9Low52.5Low67 Ų67113.2 Ų113.231%0.31359%0.592SS.*EExtended strand (participates in β ladder)trans-94.3109.6170.1-70.2-175.7120.300109.6T757 T789 K793T757-E791 PolarHBondContact N-O 3.34Å; T757-E791 PolarHBondContact O-N 3.34Å; T757-E791 VanDerWaalsContact O-N 3.15Å; T757-E791 PolarHBondContact OG1-O 3.4Å; T789-E791 PolarHBondContact O-N 3.05Å; E791-K793 HydrophobicContact CB-CD 4.31Å; E791-K793 HydrophobicContact CB-CG 4.32Å; E791-K793 PolarHBondContact O-N 3.16Å; E791-K793 VanDerWaalsContact OE1-CE 3.31Å; E791-K793 WeakPolarHBondContact OE1-CE 3.49Å; E791-K793 IonicContact OE1-NZ 3.81Å; E791-K793 PolarHBondContact OE1-NZ 3.04Å; E791-K793 WeakPolarHBondContact OE2-CE 3.4Å; E791-K793 IonicContact OE2-NZ 2.93Å; E791-K793 PolarHBondContact OE2-NZ 3.49Å
792E51.4Low49.9Very low158 Ų158117.9 Ų117.974%0.73862%0.618SS**  trans-74.572.3167.3-162.6-159.8150.300110.1G794E792-G794 PolarHBondContact O-N 3.4Å
793K47.3Very low47.6Very low105 Ų105120.6 Ų120.646%0.45763%0.627SS.*  trans-75.670.1171.3-80.9168.8178.5160.10109.9E791 K795E791-K793 HydrophobicContact CB-CD 4.31Å; E791-K793 HydrophobicContact CB-CG 4.32Å; E791-K793 PolarHBondContact O-N 3.16Å; E791-K793 VanDerWaalsContact OE1-CE 3.31Å; E791-K793 WeakPolarHBondContact OE1-CE 3.49Å; E791-K793 IonicContact OE1-NZ 3.81Å; E791-K793 PolarHBondContact OE1-NZ 3.04Å; E791-K793 WeakPolarHBondContact OE2-CE 3.4Å; E791-K793 IonicContact OE2-NZ 2.93Å; E791-K793 PolarHBondContact OE2-NZ 3.49Å; K793-K795 PolarHBondContact O-N 3.29Å
794G50.1Low46.1Very low51 Ų51122.5 Ų122.553%0.52662%0.622SS.*  trans-49.9135.417800000112E792E792-G794 PolarHBondContact O-N 3.4Å
795K41.3Very low44.1Very low203 Ų203121.6 Ų121.688%0.88363%0.629SS**  trans81.149.7-171.5-50168.3-175.6168.30115.8K793 R797K793-K795 PolarHBondContact O-N 3.29Å; K795-R797 PolarHBondContact O-N 2.86Å
796L39.1Very low43.1Very low106 Ų106122.3 Ų122.356%0.55563%0.63SS**  trans-69.359.4152.7-73.3-179000112.7
797R29.6Very low41.8Very low197 Ų197126.3 Ų126.374%0.74365%0.646SS**SBendtrans-134.1113.7156.5-173.4-175.8-171.699.2-1.5107K795 Q799K795-R797 PolarHBondContact O-N 2.86Å; R797-Q799 PolarHBondContact O-N 3.29Å
798P32.6Very low40Very low132 Ų132129 Ų12986%0.85766%0.655SS**  trans-60.895.7175.6-25.535.7000111.4N800P798-N800 PolarHBondContact O-N 2.69Å
799Q30.1Very low38.3Very low130 Ų130131.9 Ų131.961%0.60768%0.678SS**  trans-69.1126.7165.3-80.4-7320.500108.2R797 Y801R797-Q799 PolarHBondContact O-N 3.29Å; Q799-Y801 HydrophobicContact CB-CD2 3.58Å; Q799-Y801 HydrophobicContact CB-CE2 3.38Å; Q799-Y801 HydrophobicContact CG-CE2 4.07Å; Q799-Y801 PolarHBondContact O-N 3.32Å
800N28.5Very low36.6Very low145 Ų145134.5 Ų134.578%0.77569%0.689SS**  trans-79.469.6-174.8-172.19.4000111P798 N802P798-N800 PolarHBondContact O-N 2.69Å; N800-N802 VanDerWaalsContact C-N 3.35Å; N800-N802 PolarHBondContact O-N 3.13Å
801Y30.9Very low35.5Very low201 Ų201135.9 Ų135.979%0.78871%0.705SS**  trans-76.581.9178.5-78.5-71.5000111.8Q799 N803Q799-Y801 HydrophobicContact CB-CD2 3.58Å; Q799-Y801 HydrophobicContact CB-CE2 3.38Å; Q799-Y801 HydrophobicContact CG-CE2 4.07Å; Q799-Y801 PolarHBondContact O-N 3.32Å; Y801-N803 PolarHBondContact O-N 2.98Å
802N30.2Very low34.2Very low139 Ų139136.9 Ų136.974%0.74372%0.719SS**  trans-8780.9161.2-177.529.9000110.7N800N800-N802 VanDerWaalsContact C-N 3.35Å; N800-N802 PolarHBondContact O-N 3.13Å
803N29Very low33.2Very low156 Ų156135.3 Ų135.383%0.83472%0.72SS**  trans-157.2152.9147.7-127.4-41.6000112.6Y801Y801-N803 PolarHBondContact O-N 2.98Å
804T34.4Very low32.1Very low124 Ų124135.4 Ų135.476%0.76173%0.73SS**  trans-129.8110.7-169.2-50.20000112.6
805S30.1Very low30.9Very low106 Ų106142.1 Ų142.174%0.74174%0.744SS**  trans-130105.4155.150.30000106.7
806K34Very low30.1Very low183 Ų183137.7 Ų137.780%0.79674%0.739SS**  67.1126.892.6-71.1177.4179.7-178.80111.2
807I28.1Very low29.9Very low135 Ų135138.5 Ų138.569%0.69275%0.75SS**  cis-155.4172.210-126.7160.2000110.8
808N24.8Very low29.6Very low128 Ų128138.5 Ų138.568%0.68476%0.759SS**  trans-15.7153.2163.4-36.2-26.5000116.7
809T28Very low29.2Very low132 Ų132140.7 Ų140.781%0.8176%0.757SS**  cis-161.2119.838.2-39.70000112.3
810D28.2Very low29Very low145 Ų145138.4 Ų138.478%0.77576%0.756SS**  trans-68.7155.2153-117.7-36.4000108.4
811P40.8Very low29.1Very low111 Ų111140.3 Ų140.372%0.72176%0.757SS**  cis-155.7164.348.247.6-27.7000119
812S29.6Very low28.8Very low88 Ų88140.2 Ų140.262%0.61576%0.761SS**  65.3114.5123.2-1770000120.5
813V30Very low28.6Very low125 Ų125138.3 Ų138.376%0.75876%0.759SS**  107.6143.4101.2145.50000113.8
814T25.2Very low28.5Very low107 Ų107136.4 Ų136.466%0.65675%0.752SS**  cis-145.5169.75-3.50000113
815K24.1Very low28.2Very low192 Ų192139.6 Ų139.684%0.83576%0.755SS**  trans-6.2144138.6-57.6166.7-172.9178.70115.6
816S23.8Very low28.2Very low110 Ų110142 Ų14277%0.76975%0.753SS**  cis-154.116246.6480000115
817P35.8Very low28Very low122 Ų122139.5 Ų139.579%0.79274%0.744SS**  trans-87.9147.9164.436.2-31.8000111.4
818E23.5Very low28.1Very low198 Ų198140.9 Ų140.993%0.92575%0.747SS**  trans-151.3162.8156.5-147.4163.5-128.300110.3
819E25.1Very low28.1Very low177 Ų177140.1 Ų140.183%0.82775%0.751SS**  trans-103.2158.4-151.7-58.2-179.1109.700116
820S24.8Very low28Very low82 Ų82138.5 Ų138.557%0.57374%0.737SS**  trans72.4116.4147.777.90000118.3
821K30.7Very low28.1Very low185 Ų185136 Ų13680%0.80473%0.727SS**  177.3169.799.9-90.4145.4-161.3125.70113.1
822K24.8Very low27.4Very low200 Ų200134 Ų13487%0.8771%0.71SS**  trans-21.2149.3151.7-74.1179.7178.2-178.10115.1
823S26Very low27.5Very low99 Ų99135.5 Ų135.569%0.69271%0.709SS**  cis-179.2152.83.243.70000113.8
824V25.8Very low27.6Very low115 Ų115134.8 Ų134.870%0.69771%0.705SS**  trans55.1112.1135.3176.10000119.9
825K28.7Very low28Very low191 Ų191133.1 Ų133.183%0.8370%0.702SS**  trans57.8160.1144.8-64.5176.1-171.7-179.40117.2
826K30.8Very low28.8Very low158 Ų158130.1 Ų130.169%0.68770%0.695SS**  cis-156.3155.4-2.3-116.3-154.9-169.7-78.30104.1
827E29.4Very low29.7Very low129 Ų129132.5 Ų132.560%0.60369%0.694SS**  cis-170.4-156.2-12.7-146.7159.5-117.900109.4
828E30.2Very low29.7Very low164 Ų164132 Ų13277%0.76668%0.684SS**  trans-28.9156.3150.5-81.5170.2127.700117.1
829C25.3Very low30.2Very low113 Ų113131.7 Ų131.776%0.76468%0.68SS**  cis-166.1-178.5-7.2-164.20000110
830D25.8Very low30.7Very low98 Ų98128.1 Ų128.152%0.52467%0.67SS.*  trans82.7163.7142.2-148.26.4000120.5A602A602-D830 VanDerWaalsContact CB-OD1 3.23Å; A602-D830 WeakPolarHBondContact CB-OD1 3.34Å
831V29.7Very low31.3Very low91 Ų91130 Ų13055%0.55268%0.679SS**  trans70.1101.4174.9-1590000114.7P603P603-V831 HydrophobicContact CB-CG2 3.94Å
832D27.1Very low31.7Very low70 Ų70128.2 Ų128.237%0.37468%0.677SS.*  cis81146.238.1-152.8-1.7000113.8L601 A602L601-D832 WeakPolarHBondContact CD1-OD2 3.33Å; L601-D832 WeakPolarHBondContact CG-OD2 3.35Å; A602-D832 HydrophobicContact CB-CB 4.42Å; A602-D832 PolarHBondContact N-OD2 2.89Å
833M31.8Very low32Very low120 Ų120127.6 Ų127.659%0.59167%0.674SS**  trans66.4144.5176.2-49.9-67.7-84.300115.9L601L601-M833 HydrophobicContact CD1-SD 4.11Å; L601-M833 HydrophobicContact CD2-SD 4.25Å; L601-M833 HydrophobicContact CG-SD 4.46Å
834T32.5Very low32.3Very low109 Ų109129.6 Ų129.667%0.66968%0.675SS**  cis-165.6179.9-9.213.10000108.8
835A33.1Very low32.5Very low72 Ų72131.8 Ų131.860%0.59568%0.68SS**  trans63.5107.1141.700000117.5
836D39.8Very low32.5Very low129 Ų129128.6 Ų128.669%0.6968%0.676SS**  98159.488.2-78.1-47.3000110.6
837E42.5Very low32.8Very low161 Ų161125.3 Ų125.375%0.75267%0.673SS**  cis-131.7128.311-142.8153.5-147.300111.1
838L35.8Very low33Very low111 Ų111127 Ų12758%0.58169%0.687SS**  trans21.2128.9131.1-55.8167.1000118.6
839F34.1Very low33.1Very low192 Ų192122.1 Ų122.184%0.84268%0.68SS**  179.590.3114.4-90.5-65.5000107.7
840T36.7Very low33.5Very low101 Ų101120 Ų12062%0.6268%0.678SS**  63.2106.379.9-580000113.9
841T36.4Very low34.2Very low123 Ų123124.7 Ų124.776%0.75569%0.693SS**  -170.2152.1127.69.30000113.4
842I39.3Very low34.5Very low147 Ų147127 Ų12775%0.75470%0.701SS**  trans63.9102150.4-65.5162.4000115.3
843K32.5Very low34.9Very low186 Ų186133.7 Ų133.781%0.80973%0.727SS**  63.7129.559.4-146.4-174.2-178.5178.60109.9
844I31.8Very low34.9Very low141 Ų141131.3 Ų131.372%0.72373%0.733SS**  -150.1165.851.5-68.3156.7000110.3
845M29.6Very low35.5Very low161 Ų161131.7 Ų131.779%0.79374%0.737SS**  trans-44.6165.2164.1-55.5141.172.400113.1
846T29.1Very low35.4Very low124 Ų124134.9 Ų134.976%0.76174%0.744SS**  -170.3163.562.647.40000109.3
847S37.6Very low35.3Very low89 Ų89134.4 Ų134.462%0.62275%0.746SS**  cis-179.4150.1-11.648.20000107.5
848D32.2Very low35Very low166 Ų166138.3 Ų138.389%0.88875%0.754SS**  trans59.6148.2155.2-64.9-54.1000121.6
849G33.5Very low35.1Very low61 Ų61140.3 Ų140.363%0.62977%0.765SS**  cis167.8137.4-8.600000115.7
850G32.5Very low35.4Very low69 Ų69134.9 Ų134.971%0.71176%0.762SS**  trans71.5173.2172.500000115.5
851K40.8Very low35.3Very low195 Ų195137.3 Ų137.385%0.84877%0.77SS**  cis-142.2118.1-0.6-57.3172.1-171.6173.90106.3
852I35.6Very low35.4Very low141 Ų141138.7 Ų138.772%0.72377%0.773SS**  59.3103.980.7-53.8162.3000113.5
853K35Very low35.1Very low209 Ų209139.2 Ų139.291%0.90977%0.772SS**  trans59.2140.8162.3-61.5173.1-179.8179.10116.6
854G33.3Very low35.1Very low70 Ų70137.7 Ų137.772%0.72277%0.768SS**  cis158.9-158.5500000107.3
855P45.3Very low35Very low117 Ų117141.1 Ų141.176%0.7677%0.773SS**  cis-122.8-163.8-31.341.7-26.1000111.3
856D29.7Very low35.7Very low139 Ų139137.6 Ų137.674%0.74376%0.762SS**  trans32.4112.2159.6-65.9-39.6000120.7
857V38.1Very low36Very low119 Ų119137.7 Ų137.772%0.72177%0.768SS**  65.1113.874.7176.20000113.4
858R35.5Very low36Very low243 Ų243142.8 Ų142.892%0.91778%0.779SS**  trans-143.7137.4139.7-145.8160.877.5130.1-0.5111.2
859L39Very low36.2Very low154 Ų154143.7 Ų143.781%0.80678%0.775SS**  trans-71.1152.3-175.6-63167.3000111.3
860G39.1Very low36.6Very low77 Ų77146.3 Ų146.379%0.79478%0.781SS**  trans-79.3166.7-17400000114.7
861I35.8Very low37.1Very low152 Ų152147.8 Ų147.878%0.77978%0.778SS**  trans-122.4124.5168.3-75.785.1000107.5
862N37.6Very low37.1Very low152 Ų152144.1 Ų144.181%0.81377%0.774SS**  trans-87.8169.7161.7-101.8-60.2000109.4
863Q33.7Very low37.4Very low159 Ų159146.5 Ų146.574%0.74378%0.78SS**  trans86.9132.1-170.5-54.5173.313.200112
864H32.7Very low37.7Very low154 Ų154141.4 Ų141.471%0.71377%0.768SS**  cis-153.917110.6-103.7-24.9000113
865Y29Very low37.8Very low212 Ų212149 Ų14983%0.83178%0.777SS**  trans75.2151152.8-102.3-126000120
866P44.6Very low37.6Very low88 Ų88151.3 Ų151.357%0.57178%0.777SS**  cis-134.6165.5-44.438.7-24.6000114.2F868P866-F868 PolarHBondContact O-N 2.62Å
867S36.6Very low37.8Very low125 Ų125152 Ų15287%0.87478%0.781SS**  trans-70.6121.8172.5-44.70000112.6
868F37.6Very low37.6Very low197 Ų197158.1 Ų158.186%0.86479%0.79SS**  trans-93.2115.8169.3-108.5-88.5000111.9P866P866-F868 PolarHBondContact O-N 2.62Å
869K34.9Very low37.3Very low184 Ų184151.8 Ų151.880%0.878%0.784SS**PPolyproline II helixtrans-71.1135.1169.6-65173179.7174.20109.4
870P42.2Very low37.7Very low117 Ų117150.6 Ų150.676%0.7679%0.785SS**PPolyproline II helixtrans-65.9137.216129.1-32.5000109.1
871P44.2Very low37.3Very low99 Ų99151.8 Ų151.864%0.64379%0.787SS**PPolyproline II helixtrans-71.8151.6179.129.7-34.8000111.5F873P871-F873 PolarHBondContact O-N 2.85Å
872P40.3Very low37.1Very low119 Ų119148.1 Ų148.177%0.77379%0.787SS**PPolyproline II helixtrans-71.3129.4176.829.8-33.8000110.7P874P872-P874 VanDerWaalsContact O-CD 3.29Å; P872-P874 WeakPolarHBondContact O-CD 3.43Å
873F41.7Very low37Very low191 Ų191146.2 Ų146.284%0.83879%0.786SS**  trans-83113.5169.8-79.2-82.1000110.2P871 Y875P871-F873 PolarHBondContact O-N 2.85Å; F873-Y875 PolarHBondContact O-N 3.21Å
874P41.4Very low37.7Very low102 Ų102146.7 Ų146.766%0.66279%0.793SS**  trans-81112.2-179.9-9.128.1000110.3P872 H876P872-P874 VanDerWaalsContact O-CD 3.29Å; P872-P874 WeakPolarHBondContact O-CD 3.43Å; P874-H876 VanDerWaalsContact C-N 3.32Å; P874-H876 PolarHBondContact O-N 3.08Å
875Y34.6Very low37.8Very low230 Ų230143.9 Ų143.990%0.90280%0.796SS**  trans-74.685167.6-108.9-91.3000109.7F873F873-Y875 PolarHBondContact O-N 3.21Å
876H41.3Very low38.3Very low165 Ų165138.7 Ų138.776%0.76479%0.791SS**  trans-97.6128.7169.3-85.7-62.6000111.8P874 R878P874-H876 VanDerWaalsContact C-N 3.32Å; P874-H876 PolarHBondContact O-N 3.08Å; H876-R878 PolarHBondContact O-N 3.19Å
877N33.6Very low37.9Very low154 Ų154138.8 Ų138.882%0.82480%0.799SS**  trans-59.9128.1-176.7-59.2-48.4000112.2
878R33.5Very low38.4Very low246 Ų246137.5 Ų137.593%0.92879%0.786SS**  trans-112.198.1160.1-86.3-166.3170.8-141.9-1110.4H876H876-R878 PolarHBondContact O-N 3.19Å
879S31Very low38.5Very low111 Ų111135 Ų13578%0.77678%0.782SS**  trans-69.6157.3158.4-73.40000110.6
880P46.1Very low38.5Very low129 Ų129135.5 Ų135.584%0.83878%0.784SS**  trans-91.9134.9-158.133.7-35000114.9
881A31.5Very low38.5Very low101 Ų101135.8 Ų135.884%0.83578%0.784SS**  trans-146.1164.1160.200000109.1
882G31.9Very low38.7Very low76 Ų76136.8 Ų136.878%0.78479%0.788SS**  trans-64.4174.8-172.500000115.9
883S35.2Very low39.1Very low111 Ų111139.1 Ų139.178%0.77679%0.788SS**  cis-152.3166.718.6-161.80000114.6
884L47.8Very low39.1Very low170 Ų170137.8 Ų137.889%0.8979%0.79SS**  trans-11.3115165.2-68155.9000117.6
885A35.4Very low39Very low95 Ų95139.2 Ų139.279%0.78579%0.791SS**  trans-131.3107.6155.100000109.1A887A885-A887 PolarHBondContact O-N 2.94Å; A885-A887 VanDerWaalsContact O-N 3.11Å
886S39.8Very low39.2Very low103 Ų103133.1 Ų133.172%0.7278%0.779SS**  trans-83.185.9-175.5-175.60000111.6T888S886-T888 PolarHBondContact O-N 3.08Å
887A34.8Very low39.5Very low89 Ų89134.8 Ų134.874%0.73679%0.787SS**  trans-77.250.6178.200000113.6A885A885-A887 PolarHBondContact O-N 2.94Å; A885-A887 VanDerWaalsContact O-N 3.11Å
888T47.3Very low39.8Very low98 Ų98132.2 Ų132.260%0.60178%0.778SS**  trans-74.8138.3163.146.60000109.7S886S886-T888 PolarHBondContact O-N 3.08Å
889N40.6Very low40.1Very low146 Ų146128.8 Ų128.878%0.78177%0.77SS**  trans77.568.3177.1-44.4-34.9000116.1
890F34Very low40.8Very low194 Ų194128.4 Ų128.485%0.85177%0.767SS**  trans-86.4114.4142.3-92.4-82.9000108.8T892F890-T892 PolarHBondContact O-N 3.43Å
891T41.8Very low41.4Very low123 Ų123127.9 Ų127.976%0.75576%0.762SS**  trans-73.7115.3-176.132.90000111.4H893T891-H893 VanDerWaalsContact C-N 3.31Å; T891-H893 PolarHBondContact O-N 3.43Å
892T48.5Very low43.4Very low119 Ų119124.2 Ų124.273%0.7373%0.731SS**  trans-77.178.3175.853.80000111.4F890F890-T892 PolarHBondContact O-N 3.43Å
893H49.7Very low45.6Very low168 Ų168123.9 Ų123.978%0.77871%0.711SS**  trans-121.9142.4163.1-96.1-102.2000109.5T891T891-H893 VanDerWaalsContact C-N 3.31Å; T891-H893 PolarHBondContact O-N 3.43Å
894N40.4Very low47.9Very low163 Ų163126.3 Ų126.387%0.87270%0.703SS**SBendtrans6537.8-173.5-60.5-34.3000116.4
895I40.9Very low49.8Very low133 Ų133118.3 Ų118.368%0.68266%0.661SS**SBendtrans-102.2129.9145.2-60.9177.2000106.6Q897I895-Q897 PolarHBondContact O-N 3.07Å
896P37.3Very low51.9Low102 Ų102120.2 Ų120.266%0.66266%0.663SS**  trans-63.3123.5-176.923.8-33.2000111.8T898P896-T898 PolarHBondContact O-N 3.44Å
897Q48.7Very low53.8Low199 Ų199122.4 Ų122.493%0.9366%0.66SS**THydrogen-bonded Turntrans-8051.5-171.6-161.9-176.615.400112.8I895I895-Q897 PolarHBondContact O-N 3.07Å
898T39.3Very low56.2Low101 Ų101120.9 Ų120.962%0.6264%0.643SS**THydrogen-bonded Turntrans-112.8-10.4-172.849.60000115P896P896-T898 PolarHBondContact O-N 3.44Å
899F40.8Very low57.9Low174 Ų174118.2 Ų118.276%0.76364%0.635SS**  trans-132.879.1176.4-62.4-73.3000111.9T901F899-T901 PolarHBondContact O-N 3.06Å
900S45Very low59.9Low102 Ų102117.3 Ų117.371%0.71362%0.624SS**  trans-67.5101.2158.946.30000108.6A902S900-A902 PolarHBondContact O-N 3Å
901T59.3Low62.3Low119 Ų119110.6 Ų110.673%0.7360%0.601SS**  trans-74.555.8175.852.80000110.6F899 I903F899-T901 PolarHBondContact O-N 3.06Å; T901-I903 WeakPolarHBondContact O-CG1 3.5Å; T901-I903 PolarHBondContact O-N 2.69Å
902A73.6Confident64.4Low24 Ų24106.4 Ų106.420%0.19857%0.572CS.*  trans-60.6104.4-169.200000111S900 R904 F912 D913S900-A902 PolarHBondContact O-N 3Å; A902-R904 PolarHBondContact O-N 3.34Å; A902-F912 CarbonylContact C-O 3.23Å; A902-D913 VanDerWaalsContact CB-OD1 3.3Å; A902-D913 WeakPolarHBondContact CB-OD1 3.32Å
903I77.5Confident65.9Low69 Ų69106.8 Ų106.835%0.35457%0.57SS.*EExtended strand (participates in β ladder)trans-76.8125.6-159.3-49176000108.9T901 S911 F912 M915 L918T901-I903 WeakPolarHBondContact O-CG1 3.5Å; T901-I903 PolarHBondContact O-N 2.69Å; I903-S911 WeakPolarHBondContact O-CA 3.42Å; I903-F912 PolarHBondContact N-O 3.08Å; I903-F912 PolarHBondContact O-N 2.77Å; I903-M915 HydrophobicContact CD1-CG 3.7Å; I903-M915 HydrophobicContact CD1-SD 3.45Å; I903-M915 WeakPolarHBondContact CD1-SD 3.18Å; I903-M915 HydrophobicContact CG2-SD 4.48Å; I903-L918 HydrophobicContact CB-CD2 3.93Å; I903-L918 HydrophobicContact CG2-CD2 3.46Å; I903-L918 VanDerWaalsContact CG2-CD2 3.46Å
904R84.4Confident67.2Low162 Ų162103.2 Ų103.261%0.61156%0.556SS**EExtended strand (participates in β ladder)trans-92.2129.9-170.3-67.1180-175-87.2-1112.3A902 T906 G909 K910A902-R904 PolarHBondContact O-N 3.34Å; R904-T906 PolarHBondContact O-N 2.83Å; R904-T906 VanDerWaalsContact O-N 3.15Å; R904-G909 PolarHBondContact NH1-O 3.29Å; R904-G909 VanDerWaalsContact NH1-O 3.09Å; R904-K910 CarbonylContact C-O 3.47Å; R904-K910 WeakPolarHBondContact CA-O 3.1Å
905C86.4Confident69.2Low1 Ų1100.3 Ų100.31%0.00754%0.539CS..  trans-66.5110.6168.1177.10000109.8K907 C908 G909 K910 F912 L918 I922C905-K907 PolarHBondContact O-N 2.92Å; C905-C908 PolarHBondContact O-N 2.92Å; C905-C908 VanDerWaalsContact SG-SG 3.64Å; C905-G909 PolarHBondContact O-N 2.95Å; C905-K910 PolarHBondContact N-O 3.48Å; C905-F912 HydrophobicContact CB-CE2 4.18Å; C905-L918 HydrophobicContact CB-CD1 3.77Å; C905-I922 HydrophobicContact CB-CG1 4.49Å
906T80.6Confident71.3Confident136 Ų13697.4 Ų97.483%0.83453%0.529SS*.THydrogen-bonded Turntrans-58.2-23.1-177.555.60000113.8R904R904-T906 PolarHBondContact O-N 2.83Å; R904-T906 VanDerWaalsContact O-N 3.15Å
907K79.1Confident73.5Confident148 Ų14897.6 Ų97.664%0.64352%0.521SS*.THydrogen-bonded Turntrans-79.1-17.7177.6-64.5-66.3-174.5-177.20114.7C905 C925C905-K907 PolarHBondContact O-N 2.92Å; K907-C925 VanDerWaalsContact CB-SG 3.57Å
908C85.1Confident75.5Confident58 Ų5888.6 Ų88.639%0.39248%0.479SS..THydrogen-bonded Turntrans-147.3-3.2-173.172.50000116.3C905 K910 H921C905-C908 PolarHBondContact O-N 2.92Å; C905-C908 VanDerWaalsContact SG-SG 3.64Å; C908-K910 PolarHBondContact O-N 3.21Å; C908-K910 VanDerWaalsContact O-N 3.17Å; C908-H921 PolarHBondContact SG-NE2 2.93Å
909G82.6Confident77.7Confident41 Ų4189.2 Ų89.242%0.42348%0.475SS..  trans75.7-9.2178.300000116.2R904 C905 S911R904-G909 PolarHBondContact NH1-O 3.29Å; R904-G909 VanDerWaalsContact NH1-O 3.09Å; C905-G909 PolarHBondContact O-N 2.95Å; G909-S911 PolarHBondContact O-N 2.72Å
910K84.1Confident79.9Confident128 Ų12888.2 Ų88.256%0.55747%0.47SS*.  trans-63.5126.7177-67.4-168.8174.3-159.70110.7R904 C905 C908 F912R904-K910 CarbonylContact C-O 3.47Å; R904-K910 WeakPolarHBondContact CA-O 3.1Å; C905-K910 PolarHBondContact N-O 3.48Å; C908-K910 PolarHBondContact O-N 3.21Å; C908-K910 VanDerWaalsContact O-N 3.17Å; K910-F912 HydrophobicContact CB-CE2 3.61Å; K910-F912 HydrophobicContact CB-CZ 3.84Å; K910-F912 HydrophobicContact CD-CZ 4.35Å; K910-F912 WeakPolarHBondContact O-CD2 3.22Å; K910-F912 WeakPolarHBondContact O-CE2 3.41Å
911S83.6Confident82Confident52 Ų5285.3 Ų85.336%0.36445%0.445SS..EExtended strand (participates in β ladder)trans-83.4145.8171.444.70000111.1I903 G909I903-S911 WeakPolarHBondContact O-CA 3.42Å; G909-S911 PolarHBondContact O-N 2.72Å
912F85.4Confident83.4Confident35 Ų3582.6 Ų82.615%0.15443%0.425CS..EExtended strand (participates in β ladder)trans-133.9135.8175.2-63.2-88.8000109.1A902 I903 C905 K910 N914 E917 L918 H921A902-F912 CarbonylContact C-O 3.23Å; I903-F912 PolarHBondContact N-O 3.08Å; I903-F912 PolarHBondContact O-N 2.77Å; C905-F912 HydrophobicContact CB-CE2 4.18Å; K910-F912 HydrophobicContact CB-CE2 3.61Å; K910-F912 HydrophobicContact CB-CZ 3.84Å; K910-F912 HydrophobicContact CD-CZ 4.35Å; K910-F912 WeakPolarHBondContact O-CD2 3.22Å; K910-F912 WeakPolarHBondContact O-CE2 3.41Å; F912-N914 VanDerWaalsContact C-N 3.25Å; F912-N914 PolarHBondContact O-N 3.39Å; F912-E917 HydrophobicContact CD1-CB 4.2Å; F912-L918 HydrophobicContact CB-CB 4.07Å; F912-L918 HydrophobicContact CD2-CB 4.33Å; F912-L918 HydrophobicContact CD2-CD1 3.7Å; F912-L918 HydrophobicContact CE2-CD1 4.33Å; F912-L918 HydrophobicContact CG-CB 4.34Å; F912-H921 HydrophobicContact CD1-CB 4.49Å; F912-H921 HydrophobicContact CD2-CB 4.48Å; F912-H921 HydrophobicContact CE1-CB 3.83Å; F912-H921 AromaticContact CE1-CG 3.89Å; F912-H921 HydrophobicContact CE2-CB 3.83Å; F912-H921 AromaticContact CE2-CD2 3.37Å; F912-H921 WeakPolarHBondContact CE2-CD2 3.41Å; F912-H921 AromaticContact CE2-CG 3.52Å; F912-H921 HydrophobicContact CZ-CB 3.48Å; F912-H921 VanDerWaalsContact CZ-CB 3.48Å; F912-H921 AromaticContact CZ-CD2 3.4Å; F912-H921 WeakPolarHBondContact CZ-CD2 3.26Å; F912-H921 AromaticContact CZ-CG 3.11Å; F912-H921 AromaticContact CZ-ND1 3.55Å; F912-H921 AromaticContact CZ-NE2 3.98Å
913D80.9Confident83.9Confident127 Ų12786.1 Ų86.168%0.67944%0.44SS*.SBendtrans-80.8-7-175.6-57.6-62.4000113A902A902-D913 VanDerWaalsContact CB-OD1 3.3Å; A902-D913 WeakPolarHBondContact CB-OD1 3.32Å
914N76.8Confident84.2Confident93 Ų9385.5 Ų85.550%0.49745%0.446SS..SBendtrans-140.8140178.2-160.8-4.4000113.3F912 P916 E917 L918F912-N914 VanDerWaalsContact C-N 3.25Å; F912-N914 PolarHBondContact O-N 3.39Å; N914-P916 WeakPolarHBondContact OD1-CD 3.5Å; N914-E917 HydrophobicContact CB-CG 4.4Å; N914-E917 PolarHBondContact O-N 2.81Å; N914-E917 VanDerWaalsContact O-N 3.16Å; N914-L918 PolarHBondContact O-N 2.97Å; N914-L918 VanDerWaalsContact O-N 3.09Å
915M81.1Confident84.2Confident103 Ų10378.5 Ų78.551%0.50742%0.421SS..Hα-helixtrans-60.1-40.8-175.4-85.7-65.1-73.200115.1I903 E917 L918 H919I903-M915 HydrophobicContact CD1-CG 3.7Å; I903-M915 HydrophobicContact CD1-SD 3.45Å; I903-M915 WeakPolarHBondContact CD1-SD 3.18Å; I903-M915 HydrophobicContact CG2-SD 4.48Å; M915-E917 VanDerWaalsContact C-N 3.27Å; M915-E917 PolarHBondContact O-N 2.98Å; M915-L918 WeakPolarHBondContact O-CB 3.39Å; M915-L918 PolarHBondContact O-N 3.34Å; M915-L918 HydrophobicContact SD-CD2 3.8Å; M915-H919 WeakPolarHBondContact O-CB 3.27Å; M915-H919 PolarHBondContact O-N 2.8Å
916P86.4Confident84.1Confident72 Ų7280.2 Ų80.247%0.46844%0.436SS..Hα-helixtrans-66-28.3176.5-22.836000113.1N914 K920N914-P916 WeakPolarHBondContact OD1-CD 3.5Å; P916-K920 WeakPolarHBondContact O-CB 3.28Å; P916-K920 WeakPolarHBondContact O-CD 3.21Å; P916-K920 WeakPolarHBondContact O-CG 3.29Å; P916-K920 PolarHBondContact O-N 3.27Å
917E83.6Confident83.4Confident106 Ų10679.2 Ų79.250%0.49543%0.425SS..Hα-helixtrans-75-42.9174.9-59.9-165.3157.700111.4F912 N914 M915 H919 K920 H921F912-E917 HydrophobicContact CD1-CB 4.2Å; N914-E917 HydrophobicContact CB-CG 4.4Å; N914-E917 PolarHBondContact O-N 2.81Å; N914-E917 VanDerWaalsContact O-N 3.16Å; M915-E917 VanDerWaalsContact C-N 3.27Å; M915-E917 PolarHBondContact O-N 2.98Å; E917-H919 VanDerWaalsContact C-N 3.26Å; E917-H919 PolarHBondContact O-N 3.48Å; E917-K920 PolarHBondContact O-N 2.83Å; E917-H921 VanDerWaalsContact O-CB 3.27Å; E917-H921 WeakPolarHBondContact O-CB 3.31Å; E917-H921 PolarHBondContact O-N 3.4Å
918L89.8Confident82.9Confident10 Ų1075 Ų755%0.05242%0.418CS..Hα-helixtrans-54.8-44.7168.3177.166.9000110.9I903 C905 F912 N914 M915 H921 I922I903-L918 HydrophobicContact CB-CD2 3.93Å; I903-L918 HydrophobicContact CG2-CD2 3.46Å; I903-L918 VanDerWaalsContact CG2-CD2 3.46Å; C905-L918 HydrophobicContact CB-CD1 3.77Å; F912-L918 HydrophobicContact CB-CB 4.07Å; F912-L918 HydrophobicContact CD2-CB 4.33Å; F912-L918 HydrophobicContact CD2-CD1 3.7Å; F912-L918 HydrophobicContact CE2-CD1 4.33Å; F912-L918 HydrophobicContact CG-CB 4.34Å; N914-L918 PolarHBondContact O-N 2.97Å; N914-L918 VanDerWaalsContact O-N 3.09Å; M915-L918 WeakPolarHBondContact O-CB 3.39Å; M915-L918 PolarHBondContact O-N 3.34Å; M915-L918 HydrophobicContact SD-CD2 3.8Å; L918-H921 CarbonylContact O-C 3.59Å; L918-H921 PolarHBondContact O-N 3.06Å; L918-I922 HydrophobicContact CD1-CD1 3.96Å; L918-I922 HydrophobicContact CD1-CG1 4.13Å; L918-I922 HydrophobicContact CD2-CD1 4.26Å; L918-I922 HydrophobicContact CG-CD1 3.75Å; L918-I922 HydrophobicContact CG-CG1 4.29Å; L918-I922 VanDerWaalsContact O-CG1 3.31Å; L918-I922 WeakPolarHBondContact O-CG1 3.03Å; L918-I922 PolarHBondContact O-N 3.42Å
919H85.8Confident81.7Confident114 Ų11474 Ų7453%0.52841%0.412SS..Hα-helixtrans-67.5-47.2-177.5-148.797.8000111.9M915 E917 H921 I922 L923M915-H919 WeakPolarHBondContact O-CB 3.27Å; M915-H919 PolarHBondContact O-N 2.8Å; E917-H919 VanDerWaalsContact C-N 3.26Å; E917-H919 PolarHBondContact O-N 3.48Å; H919-H921 PolarHBondContact O-N 2.76Å; H919-I922 PolarHBondContact O-N 3.39Å; H919-L923 WeakPolarHBondContact O-CD1 3.3Å; H919-L923 PolarHBondContact O-N 3.14Å; H919-L923 VanDerWaalsContact O-N 3.15Å
920K86.9Confident80.5Confident153 Ų15376.6 Ų76.667%0.66542%0.416SS*.Hα-helixtrans-53.8-42169.7-73.4167.3-176.6176.50111.2P916 E917 A924P916-K920 WeakPolarHBondContact O-CB 3.28Å; P916-K920 WeakPolarHBondContact O-CD 3.21Å; P916-K920 WeakPolarHBondContact O-CG 3.29Å; P916-K920 PolarHBondContact O-N 3.27Å; E917-K920 PolarHBondContact O-N 2.83Å; K920-A924 PolarHBondContact O-N 3.04Å; K920-A924 VanDerWaalsContact O-N 3.16Å
921H89.9Confident79.2Confident40 Ų4078.8 Ų78.819%0.18543%0.425CS..Hα-helixtrans-70.3-39.1178.6-175.370.3000113.3C908 F912 E917 L918 H919 L923 A924 C925C908-H921 PolarHBondContact SG-NE2 2.93Å; F912-H921 HydrophobicContact CD1-CB 4.49Å; F912-H921 HydrophobicContact CD2-CB 4.48Å; F912-H921 HydrophobicContact CE1-CB 3.83Å; F912-H921 AromaticContact CE1-CG 3.89Å; F912-H921 HydrophobicContact CE2-CB 3.83Å; F912-H921 AromaticContact CE2-CD2 3.37Å; F912-H921 WeakPolarHBondContact CE2-CD2 3.41Å; F912-H921 AromaticContact CE2-CG 3.52Å; F912-H921 HydrophobicContact CZ-CB 3.48Å; F912-H921 VanDerWaalsContact CZ-CB 3.48Å; F912-H921 AromaticContact CZ-CD2 3.4Å; F912-H921 WeakPolarHBondContact CZ-CD2 3.26Å; F912-H921 AromaticContact CZ-CG 3.11Å; F912-H921 AromaticContact CZ-ND1 3.55Å; F912-H921 AromaticContact CZ-NE2 3.98Å; E917-H921 VanDerWaalsContact O-CB 3.27Å; E917-H921 WeakPolarHBondContact O-CB 3.31Å; E917-H921 PolarHBondContact O-N 3.4Å; L918-H921 CarbonylContact O-C 3.59Å; L918-H921 PolarHBondContact O-N 3.06Å; H919-H921 PolarHBondContact O-N 2.76Å; H921-L923 VanDerWaalsContact C-N 3.34Å; H921-L923 PolarHBondContact O-N 2.99Å; H921-A924 CarbonylContact O-C 3.53Å; H921-A924 PolarHBondContact O-N 2.87Å; H921-C925 WeakPolarHBondContact O-CB 3.31Å; H921-C925 PolarHBondContact O-N 2.81Å
922I88Confident77.7Confident62 Ų6284.7 Ų84.732%0.31844%0.444SS..Hα-helixtrans-60.5-45.1177.5-76.1168.5000110.1C905 L918 H919 C925 A926C905-I922 HydrophobicContact CB-CG1 4.49Å; L918-I922 HydrophobicContact CD1-CD1 3.96Å; L918-I922 HydrophobicContact CD1-CG1 4.13Å; L918-I922 HydrophobicContact CD2-CD1 4.26Å; L918-I922 HydrophobicContact CG-CD1 3.75Å; L918-I922 HydrophobicContact CG-CG1 4.29Å; L918-I922 VanDerWaalsContact O-CG1 3.31Å; L918-I922 WeakPolarHBondContact O-CG1 3.03Å; L918-I922 PolarHBondContact O-N 3.42Å; H919-I922 PolarHBondContact O-N 3.39Å; I922-C925 PolarHBondContact O-N 2.91Å; I922-A926 WeakPolarHBondContact O-CB 3.4Å; I922-A926 PolarHBondContact O-N 3.49Å
923L84.6Confident76Confident98 Ų9893 Ų9351%0.51348%0.475SS..Hα-helixtrans-59.7-46.5174.7-90.460000111.6H919 H921 C925 N927H919-L923 WeakPolarHBondContact O-CD1 3.3Å; H919-L923 PolarHBondContact O-N 3.14Å; H919-L923 VanDerWaalsContact O-N 3.15Å; H921-L923 VanDerWaalsContact C-N 3.34Å; H921-L923 PolarHBondContact O-N 2.99Å; L923-C925 VanDerWaalsContact C-N 3.34Å; L923-C925 PolarHBondContact O-N 3.36Å; L923-N927 PolarHBondContact O-N 3.06Å; L923-N927 PolarHBondContact O-ND2 3.45Å; L923-N927 VanDerWaalsContact O-ND2 3.13Å
924A82.9Confident74Confident57 Ų5796.2 Ų96.247%0.47148%0.479SS..Hα-helixtrans-65.4-35.5175.800000113K920 H921 A928K920-A924 PolarHBondContact O-N 3.04Å; K920-A924 VanDerWaalsContact O-N 3.16Å; H921-A924 CarbonylContact O-C 3.53Å; H921-A924 PolarHBondContact O-N 2.87Å; A924-A928 WeakPolarHBondContact O-CB 3.37Å; A924-A928 PolarHBondContact O-N 3.13Å; A924-A928 VanDerWaalsContact O-N 3.13Å
925C85.8Confident72.2Confident14 Ų1496.6 Ų96.610%0.09549%0.485CS..Hα-helixtrans-73.3-41.7-177.4-169.70000111.8K907 H921 I922 L923 A928 S929K907-C925 VanDerWaalsContact CB-SG 3.57Å; H921-C925 WeakPolarHBondContact O-CB 3.31Å; H921-C925 PolarHBondContact O-N 2.81Å; I922-C925 PolarHBondContact O-N 2.91Å; L923-C925 VanDerWaalsContact C-N 3.34Å; L923-C925 PolarHBondContact O-N 3.36Å; C925-A928 PolarHBondContact O-N 2.89Å; C925-S929 VanDerWaalsContact O-CB 3.31Å; C925-S929 WeakPolarHBondContact O-CB 3.23Å; C925-S929 PolarHBondContact O-N 3.34Å; C925-S929 PolarHBondContact O-OG 3.47Å
926A82.8Confident70.2Confident37 Ų3797.5 Ų97.531%0.30650%0.498SS..Hα-helixtrans-53.8-56171.200000110.5I922 A928 S929 D930I922-A926 WeakPolarHBondContact O-CB 3.4Å; I922-A926 PolarHBondContact O-N 3.49Å; A926-A928 PolarHBondContact O-N 3.48Å; A926-A928 VanDerWaalsContact O-N 3.14Å; A926-S929 PolarHBondContact O-N 3.47Å; A926-S929 PolarHBondContact O-OG 3.15Å; A926-D930 PolarHBondContact O-N 3.23Å
927N67.1Low68.1Low115 Ų115105.7 Ų105.762%0.61552%0.52SS*.Hα-helixtrans-58.4-26.9179.3-71.7-26.1000114.5L923L923-N927 PolarHBondContact O-N 3.06Å; L923-N927 PolarHBondContact O-ND2 3.45Å; L923-N927 VanDerWaalsContact O-ND2 3.13Å
928A67.4Low65.9Low59 Ų59110 Ų11049%0.48854%0.537SS..Hα-helixtrans-86.4-26.6174.300000113.4A924 C925 A926A924-A928 WeakPolarHBondContact O-CB 3.37Å; A924-A928 PolarHBondContact O-N 3.13Å; A924-A928 VanDerWaalsContact O-N 3.13Å; C925-A928 PolarHBondContact O-N 2.89Å; A926-A928 PolarHBondContact O-N 3.48Å; A926-A928 VanDerWaalsContact O-N 3.14Å
929S60Low63.2Low38 Ų38116.3 Ų116.327%0.26657%0.571SS.*Hα-helixtrans-79.4-40.9-174.672.60000113.4C925 A926 K931 K932 R933C925-S929 VanDerWaalsContact O-CB 3.31Å; C925-S929 WeakPolarHBondContact O-CB 3.23Å; C925-S929 PolarHBondContact O-N 3.34Å; C925-S929 PolarHBondContact O-OG 3.47Å; A926-S929 PolarHBondContact O-N 3.47Å; A926-S929 PolarHBondContact O-OG 3.15Å; S929-K931 VanDerWaalsContact C-N 3.31Å; S929-K931 PolarHBondContact O-N 3.15Å; S929-K932 PolarHBondContact O-N 2.82Å; S929-R933 PolarHBondContact O-N 2.86Å
930D57.3Low61.1Low96 Ų96117 Ų11751%0.51359%0.585SS.*Hα-helixtrans-65.7-34.1-178.7-78.3-44.5000112.6A926 K932 R933 Y934A926-D930 PolarHBondContact O-N 3.23Å; D930-K932 PolarHBondContact O-N 3.24Å; D930-K932 VanDerWaalsContact O-N 3.08Å; D930-R933 PolarHBondContact O-N 3.13Å; D930-Y934 PolarHBondContact O-N 2.73Å
931K56.1Low58.7Low173 Ų173115 Ų11575%0.75259%0.585SS**Hα-helixtrans-59.5-21173-63.6-175.1-177.6-176.90113.1S929S929-K931 VanDerWaalsContact C-N 3.31Å; S929-K931 PolarHBondContact O-N 3.15Å
932K53Low56.3Low176 Ų176119 Ų11977%0.76562%0.616SS**Hα-helixtrans-97.6-11.7175.3-66.4-174.2177.9-178.50114.1S929 D930S929-K932 PolarHBondContact O-N 2.82Å; D930-K932 PolarHBondContact O-N 3.24Å; D930-K932 VanDerWaalsContact O-N 3.08Å
933R50.2Low53.8Low210 Ų210124 Ų12479%0.79264%0.642SS**Hα-helixtrans-90.7-15176.1-77.5-170.4166.3-140.8-5.4114.3S929 D930S929-R933 PolarHBondContact O-N 2.86Å; D930-R933 PolarHBondContact O-N 3.13Å
934Y37.8Very low51.5Low194 Ų194130 Ų13076%0.76166%0.658SS**SBendtrans-109.921.4-178.8-93.4-75.3000116.1D930D930-Y934 PolarHBondContact O-N 2.73Å
935T39.7Very low49.5Very low101 Ų101135.4 Ų135.462%0.6267%0.673SS**SBendtrans-110.3112.416144.40000109.7R937T935-R937 PolarHBondContact O-N 3.43Å; T935-R937 VanDerWaalsContact O-N 3.07Å
936P38.8Very low47Very low123 Ų123145.2 Ų145.280%0.79971%0.714SS**  trans-71.6106.6-179.427.8-32.9000110.1K938P936-K938 PolarHBondContact O-N 3.17Å
937R41.7Very low44.6Very low243 Ų243147.6 Ų147.692%0.91773%0.734SS**  trans-61.6108.6166.8-84.3-171.7163.8-154-5.3108.7T935T935-R937 PolarHBondContact O-N 3.43Å; T935-R937 VanDerWaalsContact O-N 3.07Å
938K39.1Very low43.3Very low198 Ų198151.3 Ų151.386%0.86175%0.745SS**  trans-64142.3168.5-67.2-174.5176.5-1760109.6P936P936-K938 PolarHBondContact O-N 3.17Å
939N33Very low41.9Very low142 Ų142153.9 Ų153.976%0.75975%0.754SS**  trans-58.8131.1177.9-75.3-12.8000111.5V941N939-V941 HydrophobicContact CB-CG2 4.34Å; N939-V941 PolarHBondContact O-N 3.39Å; N939-V941 VanDerWaalsContact O-N 3.11Å
940P40.6Very low40.7Very low128 Ų128160 Ų16083%0.83178%0.779SS**  trans-77.488.1163.432.1-31.2000109.2
941V35.8Very low39.6Very low110 Ų110162.8 Ų162.867%0.66779%0.794SS**  trans-71.5130.5170178.90000108.6N939 L943N939-V941 HydrophobicContact CB-CG2 4.34Å; N939-V941 PolarHBondContact O-N 3.39Å; N939-V941 VanDerWaalsContact O-N 3.11Å; V941-L943 PolarHBondContact O-N 3.09Å; V941-L943 VanDerWaalsContact O-N 3.09Å
942P40.7Very low38.6Very low126 Ų126157.7 Ų157.782%0.81879%0.79SS**  trans-77.298.8-174.230.2-35.1000111.9
943L35.6Very low37.5Very low166 Ų166156 Ų15687%0.86979%0.794SS**  trans-90.5120.4169.7-85.9163.2000110.7V941V941-L943 PolarHBondContact O-N 3.09Å; V941-L943 VanDerWaalsContact O-N 3.09Å
944R35.5Very low36.6Very low225 Ų225153 Ų15385%0.84979%0.793SS**  trans-78128.7174-71.6-170.9176.8-156.81.4110.7
945H40.4Very low36.3Very low170 Ų170147.8 Ų147.879%0.78779%0.785SS**  trans15.9112.4149.2-56.490.6000118.7
946F34.1Very low36Very low219 Ų219147.9 Ų147.996%0.96179%0.786SS**  trans-120.2150.4130.4-82.3-85.1000108.4
947A33.6Very low35.9Very low88 Ų88147.3 Ų147.373%0.72778%0.78SS**  trans-122.5-177.5-164.500000112.4
948K39.8Very low35.5Very low193 Ų193142.5 Ų142.584%0.83977%0.773SS**  trans75.5143.9166.2-77-174.6176.3179.90116.8
949T36.2Very low35.3Very low112 Ų112138 Ų13869%0.68777%0.767SS**  cis-164.7177.9-19.78.30000110.7
950Q36Very low35.3Very low168 Ų168135.3 Ų135.379%0.78576%0.764SS**  trans93.6112.5163.4-53.6-1590.300114.3
951N34.1Very low34.9Very low153 Ų153137.2 Ų137.282%0.81877%0.767SS**  81.1130.157.7-62.2-2.8000111
952G34.1Very low34.5Very low66 Ų66135.4 Ų135.468%0.6877%0.77SS**  cis169-158.4-100000110.7
953V31.3Very low34.3Very low141 Ų141137 Ų13786%0.85577%0.771SS**  trans71.2122.4168.6-177.50000114.8
954L31.2Very low34Very low146 Ų146135.2 Ų135.276%0.76476%0.763SS**  cis-145.7-153.8-5.6-114172.9000107.6T956L954-T956 HydrophobicContact CD2-CG2 4.23Å
955S31.1Very low33.7Very low86 Ų86131 Ų13160%0.60176%0.762SS**  cis-154.5148.77.2-126.20000109
956T33.7Very low33.1Very low102 Ų102127.6 Ų127.663%0.62676%0.757SS**  56.4135.983.485.80000115.9L954L954-T956 HydrophobicContact CD2-CG2 4.23Å
957T35.8Very low33.2Very low111 Ų111122.9 Ų122.968%0.68175%0.746SS**  cis-165.4175.513.7-11.20000113.7
958N33.9Very low33.2Very low142 Ų142128.8 Ų128.876%0.75975%0.75SS**  trans83.2147154.4-61.3-13.5000120.1
959S35.3Very low32.8Very low105 Ų105125.6 Ų125.673%0.73475%0.746SS**  cis-169.2165-16.9-101.20000114.6
960A33.2Very low32.6Very low85 Ų85124 Ų12470%0.70274%0.74SS**  trans88.5129150.600000122.5
961N31.8Very low32.6Very low168 Ų168124.8 Ų124.890%0.89874%0.743SS**  trans59.2144.6154-55.1-9.4000120.1
962G27.7Very low32.5Very low71 Ų71120.5 Ų120.573%0.73274%0.736SS**  cis171.5155.3-9.400000113.9
963L35.8Very low32.5Very low161 Ų161123.2 Ų123.284%0.84373%0.734SS**  trans74.2121.8167.2-63.1172.4000121.9
964N28.4Very low32.6Very low128 Ų128127 Ų12768%0.68473%0.733SS**  trans81117.2136.1-63-7.7000124.2
965T30.8Very low32.4Very low136 Ų136125 Ų12583%0.83473%0.731SS**  trans65.8145.7139.7550000120.8
966S28.1Very low32.2Very low98 Ų98130.2 Ų130.269%0.68574%0.743SS**  cis-173.2147.6-19.2-171.50000109.7
967V34.5Very low32.5Very low121 Ų121131 Ų13173%0.73375%0.75SS**  trans65.4137.8156.6160.40000116.8
968R34.1Very low32.1Very low212 Ų212131.3 Ų131.380%0.875%0.747SS**  cis-167.1163.6-4.8-116-178-163.2175.93.9110.3
969V31.9Very low32Very low125 Ų125132.2 Ų132.276%0.75875%0.747SS**  trans66.4135.5142.9165.30000118.4
970S31.7Very low31.7Very low80 Ų80135.8 Ų135.856%0.55975%0.752SS**  cis-166.2146.7-10.3-103.90000113.1
971Q36.9Very low32.6Very low183 Ų183136.9 Ų136.986%0.85575%0.752SS**  trans59.1149.9142.4-58.7174.614.700120.2
972G31.3Very low33.6Very low64 Ų64133.4 Ų133.466%0.6674%0.739SS**  cis-174.9140.4-7.800000115.8
973N33.5Very low33.7Very low122 Ų122137 Ų13765%0.65275%0.746SS**  73.1118.1125.6-71.7-38.1000123.8
974R33.2Very low33.6Very low221 Ų221136.7 Ų136.783%0.83474%0.738SS**  69.2152.4116.4-65.3175.6-171.4-154.3-2.7119.7
975S26.5Very low34.1Very low103 Ų103138.2 Ų138.272%0.7274%0.744SS**  cis-170.1158.6-14.447.50000113.2
976K27.6Very low34.2Very low197 Ų197140.2 Ų140.286%0.85774%0.742SS**  trans9.7154.3145.6-65.2-174.7177.6-174.90120.6
977P40.8Very low34.4Very low117 Ų117142.7 Ų142.776%0.7675%0.745SS**  cis-130.8-134.233.328.5-1.2000113.7
978N26.8Very low34.4Very low118 Ų118143.5 Ų143.563%0.63175%0.745SS**  cis-161.5165.63.2-152.316000116.4
979Q32.3Very low34.2Very low161 Ų161138.4 Ų138.475%0.75273%0.734SS**  trans33.196.7151.7-77.9162.120.100124.4
980E28.1Very low34.5Very low180 Ų180141.1 Ų141.184%0.84174%0.735SS**  -1.8172.4109.3-91.7-171174.300123.1
981P51.8Low34.8Very low109 Ų109148.2 Ų148.271%0.70875%0.75SS**  cis-135.7-131.8-15.134.7-8.9000115.2
982P53.4Low34.9Very low95 Ų95148.8 Ų148.862%0.61775%0.749SS**  -137.8171.8-118.343.6-22.1000119.9
983V29.5Very low35.1Very low146 Ų146155.6 Ų155.689%0.88576%0.761SS**  trans-130.8171.3167.587.20000112.8
984K33.7Very low35.6Very low154 Ų154159.2 Ų159.267%0.6777%0.771SS**  trans-145.6166.4-155.5-55.3112.4-176.9179.40115.1
985I38.7Very low35.5Very low160 Ų160158.8 Ų158.882%0.82178%0.775SS**  trans78154.1155.2-66.9152.1000118.2
986K32.9Very low35.9Very low178 Ų178160.1 Ų160.177%0.77478%0.779SS**  cis-178.9171.6-39.6-147.5175.2-173.6176.90109.6
987I33.1Very low36.3Very low150 Ų150159.8 Ų159.877%0.76978%0.781SS**  trans77.2156158-61.8154.6000118
988L33.9Very low36Very low139 Ų139165 Ų16573%0.72879%0.785SS**  cis-173.7159.9-44.9-16362.9000112.2
989N31.1Very low36.1Very low105 Ų105167 Ų16756%0.56179%0.794SS**  trans80.6115.7151.2-83.6-29.6000124.2
990K38.2Very low36.1Very low182 Ų182167.6 Ų167.679%0.79180%0.799SS**  40.8137.6117.3-55.8171.5-169.5159.20118.9
991R38Very low37.3Very low228 Ų228163.7 Ų163.786%0.8679%0.789SS**  171.3147.857.5-147.1174.9-172.2-178.2-0.2111.1
992K37.6Very low36.4Very low195 Ų195166.3 Ų166.385%0.84879%0.792SS**  trans1.6135.2160.3-62.8-177.5174.9-174.70121.1
993K36.6Very low35.3Very low208 Ų208170.8 Ų170.890%0.90480%0.796SS**  -167.8162.9102.6-103.4175-178-177.50112.2
994K43.4Very low35.5Very low198 Ų198169.7 Ų169.786%0.86179%0.786SS**  trans-97.3151.9168.7-58.5178.3179.5-178.50109
995F30.5Very low35.7Very low211 Ų211171 Ų17193%0.92579%0.791SS**  -164.2169.1127.7-121.8-85.4000110.5
996V36.2Very low35.2Very low131 Ų131167.9 Ų167.979%0.79478%0.784SS**  trans-111.4133.1-176.4172.30000109.9
997Q35.4Very low35.1Very low191 Ų191167.8 Ų167.889%0.89379%0.79SS**  trans-150.9147.5148.4-143159.41.300113.3
998R33.9Very low35.1Very low225 Ų225165.4 Ų165.485%0.84979%0.787SS**  trans-89.8139.1175.9161.5-160.9-73.4152.4-9.2108.5
999I30.6Very low35.1Very low162 Ų162164.5 Ų164.583%0.83179%0.792SS**  trans-179.3151145-96.8152.9000111.1
1000M30.9Very low35.1Very low172 Ų172163.3 Ų163.385%0.84780%0.797SS**  trans-113.5-169.8178.5-116-175.4162.500108.2
1001P54.9Low34.8Very low99 Ų99162.2 Ų162.264%0.64380%0.799SS**  cis-128.1176.3-45.636.9-21.3000111.8
1002H31.4Very low34.6Very low163 Ų163161.1 Ų161.176%0.75580%0.801SS**  trans175.3138.4141.9-102.5-146.5000108.2
1003R31.3Very low34.3Very low189 Ų189159.7 Ų159.771%0.71380%0.802SS**  cis99.9103.335.9-168.1179.6-164.7-161.54.2111.7
1004N33.6Very low34.1Very low124 Ų124155.1 Ų155.166%0.66380%0.796SS**  trans73.8154160.5-61.3-5.8000117.2
1005K36.7Very low33.9Very low180 Ų180151.3 Ų151.378%0.78379%0.792SS**  cis-152.71500.3-130.4170.5-176-174.50112.8
1006S29.9Very low34.3Very low95 Ų95145.7 Ų145.766%0.66478%0.784SS**  trans-8.3140.3158.955.90000122.3
1007I30.9Very low34.5Very low176 Ų176148.7 Ų148.790%0.90379%0.789SS**  trans-122.9139.9130.8-66.5-179.3000107.8
1008S32.6Very low35.2Very low101 Ų101144 Ų14471%0.70677%0.773SS**  trans-113.2134.6-178.349.70000110.6
1009S33.9Very low36.6Very low119 Ų119139.7 Ų139.783%0.83276%0.763SS**  156.6167.290.358.10000107.3
1010A31.7Very low38.7Very low81 Ų81136.6 Ų136.667%0.66975%0.747SS**  cis-146.7152.83.400000112.5
1011N31.3Very low41.1Very low158 Ų158129.9 Ų129.985%0.84571%0.713SS**  trans44.2110.3144.4-58.7-7.8000121.7
1012K32.9Very low42.7Very low206 Ų206127.9 Ų127.990%0.89670%0.699SS**  -146.3157.5123.9-114.9168.8-173.7174.30110.5
1013L32.3Very low45.4Very low165 Ų165120.1 Ų120.186%0.86466%0.663SS**PPolyproline II helixtrans-56.3135.2-162.9-77.862.4000113.6
1014S31.4Very low48Very low111 Ų111114.9 Ų114.978%0.77665%0.654SS**PPolyproline II helixtrans-78125.6165.952.70000110.8
1015P40.3Very low50.4Low119 Ų119112.1 Ų112.177%0.77364%0.637SS**PPolyproline II helixtrans-66.7159.7162.331.1-34000110.1
1016A37.3Very low52.9Low93 Ų93104.8 Ų104.877%0.76961%0.608SS**PPolyproline II helixtrans-54.2142.3-17600000112.9V1018A1016-V1018 PolarHBondContact O-N 2.99Å
1017Q41.7Very low55.4Low193 Ų193106.2 Ų106.290%0.90261%0.608SS**  trans-64.9103.8171.6-69.7-177.3-300109.3E1019Q1017-E1019 PolarHBondContact O-N 3.26Å; Q1017-E1019 VanDerWaalsContact O-N 3.15Å
1018V50.8Low58Low92 Ų92104.6 Ų104.656%0.55859%0.59SS**  trans-69.2108167.2178.80000107A1016 I1020 T1031A1016-V1018 PolarHBondContact O-N 2.99Å; V1018-I1020 WeakPolarHBondContact O-CG1 3.39Å; V1018-I1020 PolarHBondContact O-N 3.34Å; V1018-T1031 HydrophobicContact CG1-CG2 4.37Å
1019E63.3Low60.6Low135 Ų135105.9 Ų105.963%0.63159%0.585SS**  trans-59.5107.6172.1-72.7-162.1124.900109.5Q1017 F1021Q1017-E1019 PolarHBondContact O-N 3.26Å; Q1017-E1019 VanDerWaalsContact O-N 3.15Å; E1019-F1021 HydrophobicContact CB-CD2 4.34Å; E1019-F1021 HydrophobicContact CB-CE1 4.06Å; E1019-F1021 HydrophobicContact CB-CE2 3.69Å; E1019-F1021 HydrophobicContact CB-CZ 3.54Å; E1019-F1021 HydrophobicContact CG-CZ 4.36Å; E1019-F1021 WeakPolarHBondContact O-CD2 3.42Å; E1019-F1021 VanDerWaalsContact O-CE2 3.3Å; E1019-F1021 WeakPolarHBondContact O-CE2 3.31Å; E1019-F1021 PolarHBondContact O-N 2.7Å; E1019-F1021 VanDerWaalsContact O-N 3.11Å; E1019-F1021 WeakPolarHBondContact OE2-CZ 3.46Å
1020I73.3Confident63.2Low97 Ų97101.8 Ų101.850%0.49755%0.553SS.*  trans-80.397179.2-56.4-174.3000108.1V1018 V1022 E1029V1018-I1020 WeakPolarHBondContact O-CG1 3.39Å; V1018-I1020 PolarHBondContact O-N 3.34Å; I1020-V1022 VanDerWaalsContact C-N 3.34Å; I1020-V1022 HydrophobicContact CG2-CG2 4.4Å; I1020-V1022 PolarHBondContact O-N 3.43Å; I1020-E1029 HydrophobicContact CG2-CB 3.59Å; I1020-E1029 HydrophobicContact CG2-CG 3.58Å
1021F82.7Confident65.6Low31 Ų31102.8 Ų102.814%0.13655%0.55CS.*  trans-7681.9-178.2-62.9-75.7000111.4E1019 C1023 F1030 M1032 R1033 R1036E1019-F1021 HydrophobicContact CB-CD2 4.34Å; E1019-F1021 HydrophobicContact CB-CE1 4.06Å; E1019-F1021 HydrophobicContact CB-CE2 3.69Å; E1019-F1021 HydrophobicContact CB-CZ 3.54Å; E1019-F1021 HydrophobicContact CG-CZ 4.36Å; E1019-F1021 WeakPolarHBondContact O-CD2 3.42Å; E1019-F1021 VanDerWaalsContact O-CE2 3.3Å; E1019-F1021 WeakPolarHBondContact O-CE2 3.31Å; E1019-F1021 PolarHBondContact O-N 2.7Å; E1019-F1021 VanDerWaalsContact O-N 3.11Å; E1019-F1021 WeakPolarHBondContact OE2-CZ 3.46Å; F1021-C1023 PolarHBondContact O-N 2.98Å; F1021-F1030 HydrophobicContact CB-CB 4.45Å; F1021-F1030 WeakPolarHBondContact CB-O 3.33Å; F1021-F1030 PolarHBondContact N-O 3.16Å; F1021-F1030 PolarHBondContact O-N 3.25Å; F1021-M1032 VanDerWaalsContact CD2-C 3.49Å; F1021-R1033 HydrophobicContact CD1-CB 4Å; F1021-R1033 HydrophobicContact CD1-CG 3.72Å; F1021-R1033 HydrophobicContact CD2-CB 4.02Å; F1021-R1033 HydrophobicContact CE1-CB 3.81Å; F1021-R1033 HydrophobicContact CE1-CG 3.58Å; F1021-R1033 HydrophobicContact CE2-CB 3.82Å; F1021-R1033 VanDerWaalsContact CE2-N 3.35Å; F1021-R1033 HydrophobicContact CG-CB 4.09Å; F1021-R1033 HydrophobicContact CG-CG 4.25Å; F1021-R1033 HydrophobicContact CZ-CB 3.69Å; F1021-R1033 HydrophobicContact CZ-CG 3.98Å; F1021-R1036 HydrophobicContact CB-CB 3.91Å; F1021-R1036 HydrophobicContact CB-CG 4.4Å; F1021-R1036 WeakPolarHBondContact O-CD 3.46Å; F1021-R1036 WeakPolarHBondContact O-CG 3.33Å
1022V87.4Confident68Low57 Ų57101.1 Ų101.135%0.34554%0.539SS..  trans-62.8130.7174.6-167.50000110.9I1020 P1024 N1027 E1029 R1036I1020-V1022 VanDerWaalsContact C-N 3.34Å; I1020-V1022 HydrophobicContact CG2-CG2 4.4Å; I1020-V1022 PolarHBondContact O-N 3.43Å; V1022-P1024 WeakPolarHBondContact O-CD 3.1Å; V1022-N1027 HydrophobicContact CG1-CB 4.27Å; V1022-E1029 HydrophobicContact CG2-CG 4.31Å; V1022-R1036 WeakPolarHBondContact O-CD 3.47Å; V1022-R1036 PolarHBondContact O-NH1 3.49Å
1023C88.9Confident70.5Confident0 Ų099.2 Ų99.20%053%0.526CS..  trans-76.2117.5171.3176.60000110.9F1021 H1025 C1026 N1027 R1028 F1030 R1036 M1040F1021-C1023 PolarHBondContact O-N 2.98Å; C1023-H1025 PolarHBondContact O-N 3.2Å; C1023-H1025 VanDerWaalsContact O-N 3.07Å; C1023-C1026 VanDerWaalsContact CB-SG 3.57Å; C1023-C1026 PolarHBondContact O-N 3.3Å; C1023-N1027 WeakPolarHBondContact O-CA 3.31Å; C1023-N1027 PolarHBondContact O-N 2.87Å; C1023-R1028 PolarHBondContact N-O 3.45Å; C1023-F1030 HydrophobicContact CB-CD2 4.4Å; C1023-F1030 HydrophobicContact CB-CE2 3.97Å; C1023-R1036 HydrophobicContact CB-CG 4.17Å; C1023-M1040 HydrophobicContact CB-CG 4.42Å; C1023-M1040 VanDerWaalsContact SG-CG 3.52Å
1024P84.7Confident73.1Confident80 Ų80101.2 Ų101.252%0.51952%0.523SS..THydrogen-bonded Turntrans-59.5-25.6-173.9-25.834.8000115.1V1022 M1040V1022-P1024 WeakPolarHBondContact O-CD 3.1Å; P1024-M1040 HydrophobicContact CG-CE 4.27Å
1025H85.4Confident75.8Confident66 Ų6698 Ų9831%0.30650%0.5SS..THydrogen-bonded Turntrans-85.3-21.1-175-56.3-52000113.9C1023 C1043 K1045 K1046C1023-H1025 PolarHBondContact O-N 3.2Å; C1023-H1025 VanDerWaalsContact O-N 3.07Å; H1025-C1043 HydrophobicContact CB-CB 4.4Å; H1025-K1045 WeakPolarHBondContact O-CB 3.48Å; H1025-K1046 HydrophobicContact CB-CB 4.04Å
1026C88.5Confident78.3Confident26 Ų2695.2 Ų95.218%0.17647%0.474CS..THydrogen-bonded Turntrans-136.7-3.8-173.564.80000115.2C1023 R1028 H1039 C1043 K1045C1023-C1026 VanDerWaalsContact CB-SG 3.57Å; C1023-C1026 PolarHBondContact O-N 3.3Å; C1026-R1028 PolarHBondContact O-N 3.38Å; C1026-R1028 WeakPolarHBondContact SG-CB 3.45Å; C1026-R1028 PolarHBondContact SG-N 2.76Å; C1026-H1039 PolarHBondContact SG-NE2 2.88Å; C1026-C1043 VanDerWaalsContact CB-SG 3.57Å; C1026-K1045 HydrophobicContact CB-CB 4.06Å; C1026-K1045 HydrophobicContact CB-CD 3.87Å; C1026-K1045 HydrophobicContact CB-CG 4.33Å
1027N83.2Confident80.8Confident124 Ų12494.8 Ų94.866%0.66346%0.462SS*.  trans53.226.9-172.4-60.1-7.1000113.8V1022 C1023V1022-N1027 HydrophobicContact CG1-CB 4.27Å; C1023-N1027 WeakPolarHBondContact O-CA 3.31Å; C1023-N1027 PolarHBondContact O-N 2.87Å
1028R83.9Confident83.1Confident142 Ų14293.1 Ų93.154%0.53645%0.452SS..  trans-81.4127.3171.9-171.4170.8-176.9162.62.7109.6C1023 C1026 F1030C1023-R1028 PolarHBondContact N-O 3.45Å; C1026-R1028 PolarHBondContact O-N 3.38Å; C1026-R1028 WeakPolarHBondContact SG-CB 3.45Å; C1026-R1028 PolarHBondContact SG-N 2.76Å; R1028-F1030 HydrophobicContact CB-CE2 3.92Å; R1028-F1030 HydrophobicContact CB-CZ 4.33Å; R1028-F1030 HydrophobicContact CG-CE2 3.85Å; R1028-F1030 HydrophobicContact CG-CZ 3.87Å; R1028-F1030 VanDerWaalsContact O-CD2 3.26Å; R1028-F1030 WeakPolarHBondContact O-CD2 3.4Å; R1028-F1030 VanDerWaalsContact O-CE2 3.28Å; R1028-F1030 WeakPolarHBondContact O-CE2 3.49Å
1029E87.9Confident85Confident128 Ų12890.4 Ų90.460%0.59843%0.433SS*.  trans-79144.9179.6-65.9178.3-176.200112I1020 V1022I1020-E1029 HydrophobicContact CG2-CB 3.59Å; I1020-E1029 HydrophobicContact CG2-CG 3.58Å; V1022-E1029 HydrophobicContact CG2-CG 4.31Å
1030F87.9Confident86Confident33 Ų3386.2 Ų86.215%0.14541%0.414CS..  trans-138.8132.2175.9-66.3-87.7000110F1021 C1023 R1028 M1032 R1036 H1039F1021-F1030 HydrophobicContact CB-CB 4.45Å; F1021-F1030 WeakPolarHBondContact CB-O 3.33Å; F1021-F1030 PolarHBondContact N-O 3.16Å; F1021-F1030 PolarHBondContact O-N 3.25Å; C1023-F1030 HydrophobicContact CB-CD2 4.4Å; C1023-F1030 HydrophobicContact CB-CE2 3.97Å; R1028-F1030 HydrophobicContact CB-CE2 3.92Å; R1028-F1030 HydrophobicContact CB-CZ 4.33Å; R1028-F1030 HydrophobicContact CG-CE2 3.85Å; R1028-F1030 HydrophobicContact CG-CZ 3.87Å; R1028-F1030 VanDerWaalsContact O-CD2 3.26Å; R1028-F1030 WeakPolarHBondContact O-CD2 3.4Å; R1028-F1030 VanDerWaalsContact O-CE2 3.28Å; R1028-F1030 WeakPolarHBondContact O-CE2 3.49Å; F1030-M1032 PolarHBondContact O-N 3.21Å; F1030-R1036 HydrophobicContact CB-CB 4.08Å; F1030-R1036 HydrophobicContact CD2-CB 3.99Å; F1030-R1036 HydrophobicContact CD2-CG 4.14Å; F1030-R1036 HydrophobicContact CG-CB 4.15Å; F1030-H1039 HydrophobicContact CE1-CB 3.92Å; F1030-H1039 HydrophobicContact CE2-CB 3.82Å; F1030-H1039 AromaticContact CE2-CD2 3.54Å; F1030-H1039 AromaticContact CE2-CG 3.86Å; F1030-H1039 HydrophobicContact CZ-CB 3.33Å; F1030-H1039 AromaticContact CZ-CD2 3.43Å; F1030-H1039 VanDerWaalsContact CZ-CD2 3.43Å; F1030-H1039 WeakPolarHBondContact CZ-CD2 3.06Å; F1030-H1039 AromaticContact CZ-CG 3.36Å
1031T83.2Confident86.5Confident102 Ų10285.5 Ų85.563%0.62642%0.423SS*.SBendtrans-72.8-7.7176.950.80000114V1018V1018-T1031 HydrophobicContact CG1-CG2 4.37Å
1032M81.5Confident86.5Confident124 Ų12489.7 Ų89.761%0.61145%0.45SS*.SBendtrans-139130.2-177-61.4-65.4-7900110.8F1021 F1030 R1034 S1035 R1036F1021-M1032 VanDerWaalsContact CD2-C 3.49Å; F1030-M1032 PolarHBondContact O-N 3.21Å; M1032-R1034 PolarHBondContact O-N 3.37Å; M1032-R1034 VanDerWaalsContact O-N 3.12Å; M1032-S1035 PolarHBondContact O-N 2.84Å; M1032-S1035 PolarHBondContact O-OG 3Å; M1032-R1036 PolarHBondContact O-N 3.33Å; M1032-R1036 VanDerWaalsContact O-N 3.17Å
1033R84.8Confident86.4Confident166 Ų16687.4 Ų87.463%0.62644%0.437SS*.Hα-helixtrans-52.9-38.9179.6-152.7172.5-166.9-1564.9112.2F1021 S1035 R1036 T1037F1021-R1033 HydrophobicContact CD1-CB 4Å; F1021-R1033 HydrophobicContact CD1-CG 3.72Å; F1021-R1033 HydrophobicContact CD2-CB 4.02Å; F1021-R1033 HydrophobicContact CE1-CB 3.81Å; F1021-R1033 HydrophobicContact CE1-CG 3.58Å; F1021-R1033 HydrophobicContact CE2-CB 3.82Å; F1021-R1033 VanDerWaalsContact CE2-N 3.35Å; F1021-R1033 HydrophobicContact CG-CB 4.09Å; F1021-R1033 HydrophobicContact CG-CG 4.25Å; F1021-R1033 HydrophobicContact CZ-CB 3.69Å; F1021-R1033 HydrophobicContact CZ-CG 3.98Å; R1033-S1035 PolarHBondContact O-N 3.15Å; R1033-R1036 WeakPolarHBondContact O-CB 3.27Å; R1033-R1036 PolarHBondContact O-N 3.09Å; R1033-T1037 PolarHBondContact O-N 2.8Å; R1033-T1037 PolarHBondContact O-OG1 3.05Å; R1033-T1037 VanDerWaalsContact O-OG1 3.13Å
1034R86.4Confident85.9Confident207 Ų20793.1 Ų93.178%0.78147%0.474SS*.Hα-helixtrans-67.9-30.7-179.7-150.7176.1-163.3179.66.9113.7M1032 K1038M1032-R1034 PolarHBondContact O-N 3.37Å; M1032-R1034 VanDerWaalsContact O-N 3.12Å; R1034-K1038 WeakPolarHBondContact O-CG 3.37Å; R1034-K1038 PolarHBondContact O-N 3.35Å
1035S89.6Confident85.5Confident44 Ų4496.5 Ų96.531%0.30848%0.48SS..Hα-helixtrans-81.5-32.3174.558.60000111.9M1032 R1033 H1039M1032-S1035 PolarHBondContact O-N 2.84Å; M1032-S1035 PolarHBondContact O-OG 3Å; R1033-S1035 PolarHBondContact O-N 3.15Å; S1035-H1039 WeakPolarHBondContact O-CB 3.34Å; S1035-H1039 PolarHBondContact O-N 3.45Å
1036R92.7Very high85.1Confident60 Ų6098.4 Ų98.423%0.22649%0.488CS..Hα-helixtrans-56.7-52.2166-172.1-169.965.8170.65.8111.1F1021 V1022 C1023 F1030 M1032 R1033 K1038 H1039 M1040F1021-R1036 HydrophobicContact CB-CB 3.91Å; F1021-R1036 HydrophobicContact CB-CG 4.4Å; F1021-R1036 WeakPolarHBondContact O-CD 3.46Å; F1021-R1036 WeakPolarHBondContact O-CG 3.33Å; V1022-R1036 WeakPolarHBondContact O-CD 3.47Å; V1022-R1036 PolarHBondContact O-NH1 3.49Å; C1023-R1036 HydrophobicContact CB-CG 4.17Å; F1030-R1036 HydrophobicContact CB-CB 4.08Å; F1030-R1036 HydrophobicContact CD2-CB 3.99Å; F1030-R1036 HydrophobicContact CD2-CG 4.14Å; F1030-R1036 HydrophobicContact CG-CB 4.15Å; M1032-R1036 PolarHBondContact O-N 3.33Å; M1032-R1036 VanDerWaalsContact O-N 3.17Å; R1033-R1036 WeakPolarHBondContact O-CB 3.27Å; R1033-R1036 PolarHBondContact O-N 3.09Å; R1036-K1038 PolarHBondContact O-N 2.84Å; R1036-H1039 CarbonylContact O-C 3.41Å; R1036-H1039 WeakPolarHBondContact O-CA 3.45Å; R1036-H1039 PolarHBondContact O-N 2.93Å; R1036-M1040 HydrophobicContact CG-CG 4.19Å; R1036-M1040 HydrophobicContact CG-SD 3.9Å; R1036-M1040 WeakPolarHBondContact O-CG 3.49Å; R1036-M1040 PolarHBondContact O-N 2.97Å
1037T88.4Confident84.1Confident84 Ų84101 Ų10152%0.51551%0.511SS..Hα-helixtrans-61.4-43.6-177.5-53.60000112R1033 H1039 M1040 A1041R1033-T1037 PolarHBondContact O-N 2.8Å; R1033-T1037 PolarHBondContact O-OG1 3.05Å; R1033-T1037 VanDerWaalsContact O-OG1 3.13Å; T1037-H1039 VanDerWaalsContact C-N 3.29Å; T1037-H1039 PolarHBondContact O-N 3.16Å; T1037-M1040 PolarHBondContact O-N 3.08Å; T1037-A1041 PolarHBondContact O-N 3.5Å
1038K90.6Very high82.8Confident157 Ų157104 Ų10468%0.68352%0.518SS*.Hα-helixtrans-58.8-39172.2-76.3-174.3175.8-1700112.4R1034 R1036R1034-K1038 WeakPolarHBondContact O-CG 3.37Å; R1034-K1038 PolarHBondContact O-N 3.35Å; R1036-K1038 PolarHBondContact O-N 2.84Å
1039H90.9Very high81Confident36 Ų36106.1 Ų106.117%0.16753%0.534CS..Hα-helixtrans-71-38.5175.3-174.355.3000113C1026 F1030 S1035 R1036 T1037 A1041 V1042 C1043C1026-H1039 PolarHBondContact SG-NE2 2.88Å; F1030-H1039 HydrophobicContact CE1-CB 3.92Å; F1030-H1039 HydrophobicContact CE2-CB 3.82Å; F1030-H1039 AromaticContact CE2-CD2 3.54Å; F1030-H1039 AromaticContact CE2-CG 3.86Å; F1030-H1039 HydrophobicContact CZ-CB 3.33Å; F1030-H1039 AromaticContact CZ-CD2 3.43Å; F1030-H1039 VanDerWaalsContact CZ-CD2 3.43Å; F1030-H1039 WeakPolarHBondContact CZ-CD2 3.06Å; F1030-H1039 AromaticContact CZ-CG 3.36Å; S1035-H1039 WeakPolarHBondContact O-CB 3.34Å; S1035-H1039 PolarHBondContact O-N 3.45Å; R1036-H1039 CarbonylContact O-C 3.41Å; R1036-H1039 WeakPolarHBondContact O-CA 3.45Å; R1036-H1039 PolarHBondContact O-N 2.93Å; T1037-H1039 VanDerWaalsContact C-N 3.29Å; T1037-H1039 PolarHBondContact O-N 3.16Å; H1039-A1041 VanDerWaalsContact C-N 3.28Å; H1039-A1041 PolarHBondContact O-N 3.15Å; H1039-V1042 CarbonylContact O-C 2.86Å; H1039-V1042 VanDerWaalsContact O-C 3.23Å; H1039-V1042 PolarHBondContact O-N 3.39Å; H1039-V1042 VanDerWaalsContact O-N 3.08Å; H1039-C1043 PolarHBondContact NE2-SG 3.39Å; H1039-C1043 VanDerWaalsContact NE2-SG 3.43Å; H1039-C1043 VanDerWaalsContact O-CA 3.27Å; H1039-C1043 WeakPolarHBondContact O-CA 3.29Å; H1039-C1043 VanDerWaalsContact O-CB 3.23Å; H1039-C1043 WeakPolarHBondContact O-CB 3.22Å; H1039-C1043 PolarHBondContact O-N 3.27Å
1040M84.4Confident78.7Confident47 Ų47108.2 Ų108.223%0.23255%0.546CS..Hα-helixtrans-60-36.5178.4-75.4174.667.700112.5C1023 P1024 R1036 T1037 V1042C1023-M1040 HydrophobicContact CB-CG 4.42Å; C1023-M1040 VanDerWaalsContact SG-CG 3.52Å; P1024-M1040 HydrophobicContact CG-CE 4.27Å; R1036-M1040 HydrophobicContact CG-CG 4.19Å; R1036-M1040 HydrophobicContact CG-SD 3.9Å; R1036-M1040 WeakPolarHBondContact O-CG 3.49Å; R1036-M1040 PolarHBondContact O-N 2.97Å; T1037-M1040 PolarHBondContact O-N 3.08Å; M1040-V1042 VanDerWaalsContact C-N 3.32Å; M1040-V1042 PolarHBondContact O-N 3.12Å
1041A83.4Confident76.5Confident82 Ų82116.2 Ų116.268%0.67858%0.581SS**Hα-helixtrans-64.7-33.3174.800000113.2T1037 H1039T1037-A1041 PolarHBondContact O-N 3.5Å; H1039-A1041 VanDerWaalsContact C-N 3.28Å; H1039-A1041 PolarHBondContact O-N 3.15Å
1042V82.2Confident74.5Confident118 Ų118121.3 Ų121.372%0.71559%0.594SS**THydrogen-bonded Turntrans-118.430.7-176.2-156.60000111.2H1039 M1040 P1044H1039-V1042 CarbonylContact O-C 2.86Å; H1039-V1042 VanDerWaalsContact O-C 3.23Å; H1039-V1042 PolarHBondContact O-N 3.39Å; H1039-V1042 VanDerWaalsContact O-N 3.08Å; M1040-V1042 VanDerWaalsContact C-N 3.32Å; M1040-V1042 PolarHBondContact O-N 3.12Å; V1042-P1044 WeakPolarHBondContact O-CD 3.3Å
1043C86.8Confident72.6Confident10 Ų10127 Ų1277%0.06861%0.609CS.*  trans-82.4118.4-172.8-169.20000110.1H1025 C1026 H1039 K1045 K1046H1025-C1043 HydrophobicContact CB-CB 4.4Å; C1026-C1043 VanDerWaalsContact CB-SG 3.57Å; H1039-C1043 PolarHBondContact NE2-SG 3.39Å; H1039-C1043 VanDerWaalsContact NE2-SG 3.43Å; H1039-C1043 VanDerWaalsContact O-CA 3.27Å; H1039-C1043 WeakPolarHBondContact O-CA 3.29Å; H1039-C1043 VanDerWaalsContact O-CB 3.23Å; H1039-C1043 WeakPolarHBondContact O-CB 3.22Å; H1039-C1043 PolarHBondContact O-N 3.27Å; C1043-K1045 PolarHBondContact O-N 3.11Å; C1043-K1045 VanDerWaalsContact O-N 3.08Å; C1043-K1046 HydrophobicContact CB-CB 3.96Å; C1043-K1046 WeakPolarHBondContact O-CB 3.5Å; C1043-K1046 PolarHBondContact O-N 2.91Å
1044P77.6Confident70.3Confident119 Ų119128.5 Ų128.577%0.77362%0.62SS**THydrogen-bonded Turntrans-69.5-10.2-176.529.3-36.5000113.8V1042V1042-P1044 WeakPolarHBondContact O-CD 3.3Å
1045K77.3Confident67.8Low151 Ų151127.5 Ų127.566%0.65762%0.624SS**THydrogen-bonded Turntrans-104.6-0.5171.3-66.8-175.8170.6-174.50113.6H1025 C1026 C1043 A1047H1025-K1045 WeakPolarHBondContact O-CB 3.48Å; C1026-K1045 HydrophobicContact CB-CB 4.06Å; C1026-K1045 HydrophobicContact CB-CD 3.87Å; C1026-K1045 HydrophobicContact CB-CG 4.33Å; C1043-K1045 PolarHBondContact O-N 3.11Å; C1043-K1045 VanDerWaalsContact O-N 3.08Å; K1045-A1047 PolarHBondContact O-N 3.4Å
1046K76.2Confident65.1Low106 Ų106129.1 Ų129.146%0.46165%0.648SS.*SBendtrans-64.7120.8165.6-179.6171.6-176.3-177.60106.1H1025 C1043 K1048H1025-K1046 HydrophobicContact CB-CB 4.04Å; C1043-K1046 HydrophobicContact CB-CB 3.96Å; C1043-K1046 WeakPolarHBondContact O-CB 3.5Å; C1043-K1046 PolarHBondContact O-N 2.91Å; K1046-K1048 PolarHBondContact O-N 2.94Å; K1046-K1048 VanDerWaalsContact O-N 3.08Å
1047A67.1Low62.1Low80 Ų80129.7 Ų129.766%0.66167%0.672SS**PPolyproline II helixtrans-54.4120.4173.900000107.9K1045 E1049K1045-A1047 PolarHBondContact O-N 3.4Å; A1047-E1049 PolarHBondContact O-N 3.04Å
1048K55.5Low59.7Low189 Ų189133.4 Ų133.482%0.82269%0.687SS**PPolyproline II helixtrans-65.9117.8166.4-70.7-175177.6-176.10105.9K1046 M1050K1046-K1048 PolarHBondContact O-N 2.94Å; K1046-K1048 VanDerWaalsContact O-N 3.08Å; K1048-M1050 PolarHBondContact O-N 3.35Å
1049E46.1Very low57Low185 Ų185130.8 Ų130.886%0.86469%0.689SS**  trans-60.5106.3167.5-70.5-170.8140.300108.1A1047 K1051A1047-E1049 PolarHBondContact O-N 3.04Å; E1049-K1051 VanDerWaalsContact C-N 3.26Å; E1049-K1051 PolarHBondContact O-N 3.26Å
1050M40.1Very low54.1Low172 Ų172136.9 Ų136.985%0.84772%0.722SS**  trans-73.287.7172.8-64.8-174.8-177.400107.5K1048 K1052K1048-M1050 PolarHBondContact O-N 3.35Å; M1050-K1052 PolarHBondContact O-N 3.22Å
1051K42Very low51.5Low201 Ų201140.1 Ų140.187%0.87474%0.744SS**  trans-48.7113.3157-82.2-169.5174.5-1770106.2E1049 R1053E1049-K1051 VanDerWaalsContact C-N 3.26Å; E1049-K1051 PolarHBondContact O-N 3.26Å; K1051-R1053 PolarHBondContact O-N 3.45Å
1052K40.3Very low49.1Very low209 Ų209145.9 Ų145.991%0.90975%0.754SS**  trans-59.495.1-170.4-77.6-176.9175.9177.70110.5M1050 K1054M1050-K1052 PolarHBondContact O-N 3.22Å; K1052-K1054 VanDerWaalsContact C-N 3.33Å; K1052-K1054 PolarHBondContact O-N 3.12Å
1053R43.2Very low46.7Very low244 Ų244147.3 Ų147.392%0.92175%0.753SS**  trans-7690.3166.2-161.9177-161.5171.86.1106.6K1051 E1055K1051-R1053 PolarHBondContact O-N 3.45Å; R1053-E1055 PolarHBondContact O-N 3Å
1054K35.6Very low44.2Very low198 Ų198153.7 Ų153.786%0.86179%0.786SS**PPolyproline II helixtrans-59.9135.1175.8-171.5173179.8178.60108.4K1052K1052-K1054 VanDerWaalsContact C-N 3.33Å; K1052-K1054 PolarHBondContact O-N 3.12Å
1055E34.2Very low42Very low185 Ų185155 Ų15586%0.86479%0.787SS**PPolyproline II helixtrans-74.9165.8-171.3-153.3153.6-159.200112.1R1053R1053-E1055 PolarHBondContact O-N 3Å
1056G31.7Very low39.8Very low78 Ų78155.1 Ų155.180%0.80479%0.79SS**PPolyproline II helixtrans-73.8162.9-16800000115.2
1057G30.4Very low37.6Very low72 Ų72157.5 Ų157.574%0.74280%0.802SS**  trans-146.3132.9171.500000110.5
1058I38.5Very low35.6Very low162 Ų162158.1 Ų158.183%0.83180%0.802SS**  trans-91.6174.6-167.7-51.1168.9000110.4
1059S33.8Very low34.2Very low102 Ų102157.8 Ų157.871%0.71380%0.803SS**  trans92160.3158.9-56.30000118.9
1060L30Very low33.3Very low165 Ų165161 Ų16186%0.86481%0.807SS**  trans-95.2-170-148.1-112.979000115.6
1061T30.4Very low32.8Very low114 Ų114155.8 Ų155.870%0.69980%0.797SS**  trans-49.8161.6168.844.20000115
1062K32.8Very low32.1Very low204 Ų204153 Ų15389%0.88780%0.797SS**  trans-143.1138.9163.9-176.2179.8-178.8-177.40108.4
1063E31.8Very low31.4Very low148 Ų148147.8 Ų147.869%0.69279%0.786SS**  trans-133.6144.9179.3-65.1172.8-135.300109
1064N33.5Very low30.6Very low144 Ų144144 Ų14477%0.7778%0.779SS**  trans29.5131.3150-54.7-9.8000119
1065N30.8Very low30.1Very low146 Ų146140.5 Ų140.578%0.78177%0.769SS**  cis-162.1162.241.1-113.4-9.2000114.4
1066E31.3Very low29.7Very low154 Ų154139 Ų13972%0.7276%0.76SS**  trans4.7121145.7-159177.9-124.500121.3
1067H29.6Very low29.4Very low155 Ų155141.1 Ų141.172%0.71875%0.749SS**  172.7142.7122-97.677.3000115
1068S25.1Very low29.3Very low94 Ų94144.9 Ų144.966%0.65774%0.744SS**  trans54.8132.7148.1-61.10000124.4
1069H27.5Very low28.9Very low182 Ų182143.5 Ų143.584%0.84374%0.738SS**  trans8.6139.7151.5-51.6-81.6000119.9
1070R26.9Very low28.6Very low252 Ų252146.8 Ų146.895%0.95174%0.742SS**  -177.415062.6-169.2-175.6-161.2-170.46.9111.4
1071G28.8Very low28.3Very low62 Ų62143.7 Ų143.764%0.63973%0.734SS**  trans94.9123.9173.600000112.9
1072V27Very low29.3Very low144 Ų144143.7 Ų143.787%0.87374%0.736SS**  cis65.7115.945.8-173.80000110.6
1073S26.4Very low30.2Very low98 Ų98138.5 Ų138.569%0.68572%0.724SS**  cis-156.1156.7-4520000109.1
1074H25.7Very low30.1Very low164 Ų164141.5 Ų141.576%0.75973%0.729SS**  41.8130.778.8-116.5-112.3000112.9
1075L25.9Very low29.9Very low126 Ų126140.5 Ų140.566%0.6672%0.719SS**  cis-174.7-171.2-17.2-145132000106.2
1076K25.7Very low29.9Very low153 Ų153139.7 Ų139.767%0.66571%0.714SS**  trans81.4128.2140.1-104.7166.3170-95.20120.6
1077E24.8Very low30Very low122 Ų122138.7 Ų138.757%0.5772%0.719SS**  trans70.5158.9138.7-81.4178.796.300117.4
1078K28.4Very low29.9Very low151 Ų151141.7 Ų141.766%0.65772%0.724SS**  cis-160-178.318.9-148.1176.5-173.683.80112
1079L30.2Very low30.1Very low133 Ų133142.8 Ų142.870%0.69672%0.722SS**  trans77.5143.5155.6-58.6147.5000117.1
1080Q28Very low30.3Very low172 Ų172142 Ų14280%0.80472%0.718SS**  cis-158.9170.9-25.8-141.9168.66.800111.1
1081S23.7Very low30.4Very low100 Ų100135.4 Ų135.470%0.69971%0.707SS**  trans-85.7-174.4171.263.20000110.8
1082P51.4Low30.4Very low113 Ų113138.1 Ų138.173%0.73472%0.716SS**  cis-139.1-154.318.948.1-27.2000112.7
1083P51.3Low30.5Very low96 Ų96134 Ų13462%0.62370%0.703SS**  cis-137.8147.6-5.635.3-14.3000119.2
1084R31Very low30.6Very low211 Ų211133.2 Ų133.280%0.79670%0.697SS**  trans68.5149137.9-65.7173.4-176.6-126.612.3119.5
1085H29.5Very low30.9Very low123 Ų123129.2 Ų129.257%0.56968%0.684SS**  cis-152.6146.3-4.5-111-43.2000111.8
1086N30.7Very low31.2Very low128 Ų128131.9 Ų131.968%0.68469%0.69SS**  trans36.5131.2140.2-52.610.4000119.5
1087T32.2Very low31.5Very low133 Ų133135.9 Ų135.982%0.81670%0.701SS**  cis-156.7-154.415.1-8.30000109.5
1088R28.1Very low32.2Very low219 Ų219134.6 Ų134.683%0.82670%0.704SS**  cis-142.5-101.611.9-162.8-170.3179.1-147.10.3114.1
1089L29.4Very low32.3Very low117 Ų117132.1 Ų132.161%0.61371%0.712SS**  trans-151130.2-162-74.2171.9000109.1
1090Q31.7Very low32.4Very low164 Ų164133.5 Ų133.577%0.76672%0.718SS**  67.7139.297.5-65.3-170.4-2.400114.9
1091T29.2Very low32.4Very low115 Ų115133 Ų13371%0.70672%0.72SS**  cis-163.9153.38.54.30000112
1092S28.6Very low34.1Very low118 Ų118133.4 Ų133.483%0.82572%0.72SS**  trans52.2143.315656.50000120.8
1093G28.4Very low33Very low58 Ų58134.4 Ų134.460%0.59872%0.724SS**  cis-143.8-143.61.500000111.8T284T284-G1093 CarbonylContact O-C 3.53Å
1094S28.6Very low32Very low82 Ų82137.8 Ų137.857%0.57373%0.731SS**  trans163.9108.2-177.5174.90000113.7Q283 T284 G285Q283-S1094 CarbonylContact O-C 2.97Å; Q283-S1094 WeakPolarHBondContact O-CA 3.06Å; Q283-S1094 PolarHBondContact O-N 3.37Å; Q283-S1094 VanDerWaalsContact O-O 3.11Å; T284-S1094 WeakPolarHBondContact O-CB 3.44Å; T284-S1094 PolarHBondContact O-N 2.87Å; G285-S1094 WeakPolarHBondContact O-CB 3.5Å; G285-S1094 PolarHBondContact O-OG 2.98Å; G285-S1094 VanDerWaalsContact O-OG 3.11Å
1095T31.6Very low32Very low80 Ų80134.2 Ų134.249%0.49173%0.733SS.*  trans-65.4148.5-169.3480000116Q283 T284Q283-T1095 WeakPolarHBondContact O-CA 3.23Å; Q283-T1095 PolarHBondContact O-N 3.19Å; T284-T1095 VanDerWaalsContact N-CG2 3.35Å
1096K32.8Very low32.1Very low181 Ų181134 Ų13479%0.78774%0.74SS**  trans-133.9146.8145-74-164.3177.1178.10115.7Q282Q282-K1096 PolarHBondContact O-N 3.19Å
1097R31.1Very low32Very low237 Ų237138.1 Ų138.189%0.89475%0.753SS**  trans-90.5147174.9176-169.6-166175.17.1110.1
1098P39.4Very low31.9Very low96 Ų96136.6 Ų136.662%0.62375%0.747SS**  trans-110.6167.9155.336-28.1000112.3
1099A32.4Very low32.1Very low99 Ų99130.7 Ų130.782%0.81874%0.739SS**  trans-103.2161.7179.900000112.3
1100I30.8Very low32.5Very low162 Ų162133.4 Ų133.483%0.83175%0.746SS**  trans-138.2141.2174.1-60.5-179.3000110.6
1101L28Very low32.6Very low160 Ų160136.5 Ų136.584%0.83875%0.751SS**  trans-143162.6158.4-77.8173.5000106.4
1102P60.1Low32.8Very low109 Ų109136.8 Ų136.871%0.70876%0.758SS**  cis-130.7-166.7-46.539.1-23.1000110.2
1103V27.8Very low33.3Very low135 Ų135138 Ų13882%0.81875%0.748SS**  trans163.4159.1140.1155.60000110.8
1104Q31.5Very low33.5Very low166 Ų166142 Ų14278%0.77675%0.754SS**  trans-98.9158.9-165.5-53.3139.8-61.600114.6
1105T29.9Very low33.6Very low136 Ų136145 Ų14583%0.83476%0.763SS**  171.8117.6125.528.70000107.7
1106V31.8Very low33.8Very low118 Ų118146.8 Ų146.872%0.71577%0.768SS**  68.592.762-176.80000112.8
1107F27.8Very low33.6Very low216 Ų216145 Ų14595%0.94776%0.76SS**  trans-144.1-179.9144.8-104.3-71.2000109.1
1108S31.3Very low33.5Very low100 Ų100140.5 Ų140.570%0.69975%0.749SS**  -157.8176.4-128.6-170.30000114.8
1109S31.7Very low33.1Very low95 Ų95140.7 Ų140.766%0.66475%0.752SS**  trans82.1149.9160.790.80000117
1110K37.3Very low33.1Very low175 Ų175144 Ų14476%0.76176%0.755SS**  cis-168.1154.6-5.3-122.6166.8-156.7161.90112.6
1111R35.5Very low33.1Very low228 Ų228144.5 Ų144.586%0.8675%0.754SS**  trans69162.7151.5-75.8177.3173.3-176.5-4.2116.6
1112S32.9Very low33.7Very low121 Ų121141.8 Ų141.885%0.84675%0.745SS**  cis-128.5-17719.9-69.10000115.3
1113K37.7Very low32.1Very low144 Ų144144.8 Ų144.863%0.62675%0.747SS**  trans-158.4162.8-169.5-162.4-167.3178-1680110.1P316P316-K1113 VanDerWaalsContact CD-NZ 3.3Å
1114I32.9Very low32.2Very low141 Ų141145.6 Ų145.672%0.72374%0.742SS**  trans87.9128.5161.2-50.1153.1000117.6
1115I31Very low32.1Very low147 Ų147147.2 Ų147.275%0.75475%0.75SS**  -172.3157123.1-93.9163.5000109.4
1116I35.4Very low32.2Very low117 Ų117144.9 Ų144.960%0.674%0.744SS**  trans-134.8138.6-179.2-59.5167.9000108.8T312T312-I1116 HydrophobicContact CG2-CG1 4.45Å
1117K30Very low33.3Very low142 Ų142144.8 Ų144.862%0.61775%0.746SS**  trans173.8158.4163.5-105.2179.6-179.1-76.90107.8
1118E29.2Very low33.6Very low144 Ų144139.6 Ų139.667%0.67373%0.732SS**  cis-157.5170.4-14.9-159.8143.4-129.300107.9
1119S31.1Very low34Very low99 Ų99142.8 Ų142.869%0.69274%0.74SS**  trans-90.3164.3172.655.50000112.3
1120I30.9Very low34.4Very low168 Ų168146.1 Ų146.186%0.86277%0.774SS**  trans-174.9148.3130.7-97155.9000112
1121Q32.2Very low34.3Very low174 Ų174144.7 Ų144.781%0.81378%0.775SS**  trans-84.3176.4179.4-131.5179.5-1.400110.5
1122P39.3Very low34.2Very low102 Ų102140.3 Ų140.366%0.66277%0.77SS**  -158.9-174.664.643.6-21.9000117.6
1123K27.9Very low34.3Very low172 Ų172141.4 Ų141.475%0.74877%0.766SS**  trans73.7147.8149.8-87.2-180171.9-156.30118.1
1124Q28.5Very low34.1Very low153 Ų153141.2 Ų141.272%0.71577%0.774SS**  cis-156.4134-8.3-156.8164.8-33.400110.5
1125E29.1Very low34.1Very low200 Ų200141.3 Ų141.394%0.93578%0.777SS**  trans-154.1135.9159.4-144.6169.8-130.500110.4
1126A33.3Very low34.3Very low86 Ų86140.9 Ų140.971%0.71178%0.779SS**  trans179.8163.7-179.100000108.8
1127P55.3Low34.3Very low116 Ų116142.6 Ų142.675%0.75379%0.792SS**  cis-111.1-149.5-10.926.3-2.4000109.2
1128T33.5Very low34.6Very low107 Ų107142.6 Ų142.666%0.65681%0.805SS**  cis-170.8159.225.5-20.80000111.6
1129L38.7Very low35Very low167 Ų167142.5 Ų142.587%0.87482%0.816SS**  trans68.6141.9160.3-64.8161000116.9
1130A41Very low35.4Very low166 Ų166146.5 Ų146.5100%1.37283%0.827SS**  cis-1390-0.800000111.2

Retrieved 1,130 of 1,130 residues in 119.7 ms (Link to these results)