G4VEY8_SCHMA Loading...

Putative early growth response protein

AlphaFold DB , UniProt , Accession G4VEY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 905 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M38.4Very low33.8Very low238 Ų238143.5 Ų143.5100%1.17285%0.853SS**  0123.30-67167.2-174.600108
2A29.4Very low33.6Very low88 Ų88144.3 Ų144.373%0.72785%0.85SS**  cis59.6132.20.400000115.9
3N31.6Very low33.6Very low157 Ų157141.3 Ų141.384%0.8483%0.828SS**  cis-148.4-166.8-6.2-144.73.7000110.1
4E37.2Very low33.4Very low178 Ų178142.4 Ų142.483%0.83281%0.812SS**  trans74.8142.2-179.7-47.6-175.6-177.200114.5
5I42.2Very low33.9Very low155 Ų155145.7 Ų145.780%0.79582%0.817SS**  cis-125.91355.7-62.8168.7000109.8
6S33.1Very low33.9Very low127 Ų127142.5 Ų142.589%0.88880%0.802SS**  trans-81.1128.9168.2-64.70000111.2
7G32.9Very low34Very low73 Ų73139.6 Ų139.675%0.75379%0.794SS**  trans-164.192.7-175.600000117.3
8A34.2Very low33.7Very low109 Ų109141.9 Ų141.990%0.90179%0.793SS**  trans66149.7165.200000118.6
9Q31.5Very low33.8Very low195 Ų195141.1 Ų141.191%0.91179%0.787SS**  trans-113.9169.4-167.5-64.6170.5-23.400113.2
10S30Very low33.7Very low116 Ų116139.3 Ų139.381%0.81178%0.784SS**  trans78.594.5166.3-160.60000117.1
11L31.4Very low33.7Very low143 Ų143142 Ų14275%0.74979%0.788SS**  trans-150.325.9167-129.4168.4000114.2
12D31.4Very low33.4Very low153 Ų153139.4 Ų139.482%0.81877%0.773SS**  trans-99.688.1-173-59.7-41.1000113.4
13D34Very low33.8Very low105 Ų105141.2 Ų141.256%0.56178%0.78SS**  trans-154.845.2158.3-145.825.9000110.7R512D13-R512 IonicContact OD1-NH1 2.93Å; D13-R512 IonicContact OD2-CZ 3.79Å; D13-R512 IonicContact OD2-NH1 3.65Å; D13-R512 PolarHBondContact OD2-NH1 2.6Å
14Y30.9Very low33.8Very low156 Ų156136.9 Ų136.961%0.61277%0.773SS**  trans-130.166-179.4-90-76.3000112.1V16 D542Y14-V16 PolarHBondContact O-N 3.23Å; Y14-D542 PolarHBondContact OH-OD2 3.19Å
15H40Very low33.6Very low192 Ų192137.3 Ų137.389%0.88977%0.774SS**  trans-81.1108.3162.7-125.5-87.3000109.5
16V34.1Very low33.3Very low95 Ų95136.4 Ų136.458%0.57678%0.777SS**  trans-84.2113.7170179.30000107.7Y14 F18Y14-V16 PolarHBondContact O-N 3.23Å; V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CG1-CD2 3.79Å; V16-F18 HydrophobicContact CG1-CE2 3.97Å; V16-F18 PolarHBondContact O-N 3.33Å
17S35.7Very low33.3Very low94 Ų94136.2 Ų136.266%0.65777%0.772SS**  trans-66.496.7171.3-98.20000110.6D19S17-D19 WeakPolarHBondContact CB-OD2 3.12Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-D19 PolarHBondContact OG-OD2 2.87Å
18F28.4Very low33.7Very low180 Ų180142.6 Ų142.679%0.78978%0.779SS**  trans-88.458.4165.5-100.5-80000110.2V16 S20V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CG1-CD2 3.79Å; V16-F18 HydrophobicContact CG1-CE2 3.97Å; V16-F18 PolarHBondContact O-N 3.33Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 3.48Å; F18-S20 VanDerWaalsContact O-N 3.12Å
19D36.5Very low33.8Very low127 Ų127144.1 Ų144.168%0.67978%0.777SS**  trans-88.973.2179.5-64.4-57.7000110.2S17S17-D19 WeakPolarHBondContact CB-OD2 3.12Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-D19 PolarHBondContact OG-OD2 2.87Å
20S31Very low34.1Very low104 Ų104139.1 Ų139.173%0.72777%0.77SS**  trans-105.983.8172.5-69.40000110.5F18F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 3.48Å; F18-S20 VanDerWaalsContact O-N 3.12Å
21F33.9Very low34.5Very low198 Ų198138.5 Ų138.587%0.86877%0.765SS**  trans-124.1132.1167.4-88.8-82.4000111.7
22H31.9Very low34.6Very low183 Ų183139.3 Ų139.385%0.84777%0.771SS**  trans-120162.5171.6-111.121.5000107.7
23S38.2Very low34.7Very low126 Ų126136.4 Ų136.488%0.88177%0.767SS**  trans78.5144.5-166.282.20000113.9
24G31.9Very low34.8Very low66 Ų66137.1 Ų137.168%0.6878%0.776SS**  cis149.296.4-4.700000112.6
25E32.4Very low35Very low186 Ų186138.4 Ų138.487%0.86979%0.785SS**  trans44.4120.3162.2-59-172.1146.900119.6
26T36.6Very low34.3Very low137 Ų137137.4 Ų137.484%0.8478%0.778SS**  -173.3112.9126.217.40000111.6
27P31.7Very low34.2Very low123 Ų123142.8 Ų142.880%0.79979%0.794SS**  trans-95.7141.5161.934.5-29000110.9
28K43Very low33.9Very low206 Ų206145.1 Ų145.190%0.89680%0.798SS**  trans-135145.8162.5-76.7-170.1176.1179.10110.3
29T36Very low34.1Very low141 Ų141144 Ų14487%0.86580%0.799SS**  trans-96.9151.2-160.849.50000114.3
30A37.6Very low33.8Very low91 Ų91145 Ų14575%0.75281%0.805SS**  trans-167.7141.6131.900000114
31S37.1Very low34.1Very low102 Ų102144 Ų14471%0.71380%0.802SS**  trans51.290148.963.70000122
32D33.7Very low34Very low161 Ų161141.6 Ų141.686%0.86180%0.799SS**  60.2145.4105-64.6-50.1000125.3
33A34Very low33.8Very low91 Ų91141.3 Ų141.375%0.75280%0.798SS**  trans75.2138.8158.500000117.9
34T35.9Very low33.5Very low121 Ų121140.5 Ų140.574%0.74279%0.787SS**  cis-150.8144.813.7-30.50000114
35K34.5Very low33.5Very low182 Ų182144 Ų14479%0.79179%0.789SS**  trans55.597.8153-83.6168.3-178178.10121.1
36F26.5Very low33.4Very low172 Ų172141.3 Ų141.375%0.75478%0.781SS**  -3.9141.4123.3-58.7-94.4000118.7
37F32.6Very low33Very low207 Ų207140.6 Ų140.691%0.90878%0.777SS**  -139136.1112.6-101.9-77.2000110.4
38L27.8Very low32.9Very low143 Ų143140.7 Ų140.775%0.74978%0.777SS**  trans-106.5130.8169.8-81161.5000108.3
39I34.2Very low32.2Very low157 Ų157137.3 Ų137.381%0.80577%0.774SS**  trans-136.5119.8146.9-60.3-175.9000106.4
40D28.9Very low31.9Very low149 Ų149134.9 Ų134.980%0.79777%0.768SS**  trans-96.7132.3168.2-169.83.8000107.7
41A38.2Very low31.4Very low82 Ų82137.7 Ų137.768%0.67877%0.769SS**  trans-148.2113.2-174.400000110.1
42N30.4Very low31Very low148 Ų148136.4 Ų136.479%0.79176%0.76SS**  trans-67.6171.5-176.7-81.3-63000114.2
43E29.6Very low30.9Very low177 Ų177137.4 Ų137.483%0.82776%0.756SS**  trans94.4137.9142-95.5178.4-159.200121.8
44V30.5Very low30.6Very low109 Ų109138.8 Ų138.866%0.66176%0.756SS**  trans87100141.7170.20000120.6
45L31.3Very low30.5Very low138 Ų138138.4 Ų138.472%0.72376%0.758SS**  trans76.9107.4134.1-88.656.2000123.3
46N30.9Very low30.4Very low130 Ų130134.4 Ų134.470%0.69575%0.753SS**  61.9109.7109.7-64.90.5000122.7
47T28.2Very low30.8Very low122 Ų122132.3 Ų132.375%0.74876%0.76SS**  72.1130.4129.158.20000121.2
48P29Very low30.7Very low125 Ų125126.3 Ų126.381%0.81276%0.756SS**  trans-86.8162.6170.837.3-35.4000112.6
49T30.2Very low30.8Very low136 Ų136123.1 Ų123.183%0.83476%0.758SS**  trans-142.4145165.1-53.40000110.3
50A28.7Very low30.6Very low89 Ų89122.6 Ų122.674%0.73676%0.756SS**  trans-105.7-152.4-175.900000112.1
51I27.7Very low30.7Very low151 Ų151123.9 Ų123.977%0.77476%0.755SS**  trans102.7135.9166.8-58.5164.2000114.6
52S28.7Very low30.2Very low74 Ų74129.4 Ų129.452%0.51776%0.764SS.*  cis-179.4174.6-24.764.20000111.8
53K31.3Very low30.4Very low182 Ų182124.7 Ų124.779%0.79175%0.746SS**  trans77.3153.3152.2-66.6161.5-166.1170.70118.5
54T28.4Very low30.4Very low121 Ų121119.5 Ų119.574%0.74272%0.724SS**  cis-166.3171.3-10.921.80000113
55S32.5Very low30.5Very low112 Ų112117.1 Ų117.178%0.78371%0.707SS**  trans79.9146.4153.571.90000118.8
56S33.3Very low30.5Very low99 Ų99117.4 Ų117.469%0.69270%0.703SS**  cis-169.2157.9-11.341.50000113.4
57S34.1Very low30.7Very low128 Ų128117.8 Ų117.890%0.89570%0.7SS**  trans68.8150.9164.871.40000118.9
58G30.6Very low31.1Very low80 Ų80119.2 Ų119.283%0.82570%0.696SS**  cis168.7127.6-15.700000116.5
59G30.4Very low31.2Very low76 Ų76124.8 Ų124.878%0.78470%0.701SS**  trans86.2163.6164.300000119.1
60L29.4Very low31.2Very low147 Ų147126.3 Ų126.377%0.7770%0.703SS**  cis-166.7147.5-12-102.1178.4000113.2
61F30.4Very low31.5Very low175 Ų175127.3 Ų127.377%0.76870%0.702SS**  trans77.8172.2155.9-64.8-53.3000125.4
62F29.6Very low31.8Very low198 Ų198127 Ų12787%0.86871%0.707SS**  trans-132-172.1-153.8-70.3-73000113.3
63A32.6Very low31.8Very low50 Ų50130.8 Ų130.841%0.41372%0.72SS.*  cis-142.9-130.124.500000112.8V429 S430A63-V429 HydrophobicContact CB-CG1 4.32Å; A63-V429 WeakPolarHBondContact O-CG1 3.14Å; A63-S430 WeakPolarHBondContact O-CB 2.98Å; A63-S430 PolarHBondContact O-N 3.13Å
64D30.6Very low31.9Very low68 Ų68129.1 Ų129.136%0.36472%0.72SS.*  cis14755.12.367.9-78.1000118.2R431D64-R431 HydrophobicContact CB-CB 4.21Å; D64-R431 HydrophobicContact CB-CG 3.1Å; D64-R431 VanDerWaalsContact CG-CG 3.5Å; D64-R431 IonicContact OD2-CZ 3.58Å; D64-R431 IonicContact OD2-NE 3.37Å; D64-R431 PolarHBondContact OD2-NE 3.16Å; D64-R431 IonicContact OD2-NH2 2.6Å; D64-R431 PolarHBondContact OD2-NH2 3.49Å
65D32.7Very low32.1Very low59 Ų59128.5 Ų128.532%0.31672%0.72SS.*  trans80.2163.1162-77.6-23.3000123.6V429 S430 R431D65-V429 CarbonylContact C-O 3.56Å; D65-V429 WeakPolarHBondContact CA-O 3.41Å; D65-V429 VanDerWaalsContact N-C 3.33Å; D65-V429 PolarHBondContact N-O 2.89Å; D65-S430 VanDerWaalsContact CA-O 3.31Å; D65-S430 WeakPolarHBondContact CA-O 3.27Å; D65-S430 PolarHBondContact N-O 3.14Å; D65-R431 VanDerWaalsContact CG-CG 3.49Å; D65-R431 WeakPolarHBondContact OD1-CB 3.19Å; D65-R431 WeakPolarHBondContact OD1-CG 3.3Å; D65-R431 PolarHBondContact OD1-N 3.43Å; D65-R431 VanDerWaalsContact OD2-CD 3.25Å; D65-R431 WeakPolarHBondContact OD2-CD 3.25Å; D65-R431 IonicContact OD2-CZ 3.84Å; D65-R431 IonicContact OD2-NE 2.69Å; D65-R431 IonicContact OD2-NH1 2.76Å; D65-R431 PolarHBondContact OD2-NH1 3.42Å
66F31.2Very low32.1Very low144 Ų144130 Ų13063%0.63272%0.719SS**  cis168.4135.2-34.8-144.8-80.5000111.1S430F66-S430 WeakPolarHBondContact CD2-O 3.3Å
67H35.7Very low32.5Very low137 Ų137131.3 Ų131.363%0.63473%0.725SS**  trans141.2130.4143.6-86.1-32.7000122.8
68K35Very low32.5Very low153 Ų153130.7 Ų130.767%0.66571%0.712SS**  69.9129.1128-70.2166.1179151.50125.5
69R31.7Very low32.8Very low242 Ų242133.2 Ų133.291%0.91371%0.707SS**  trans105.5147.8132.4-84.6175.7174.9-168.7-3.9121.1
70L29.8Very low33.1Very low167 Ų167136.8 Ų136.887%0.87470%0.702SS**  trans-107.8-166.6-168.6-61.9151.7000110.1
71P36.6Very low33.4Very low110 Ų110138.2 Ų138.271%0.71471%0.705SS**  -131.2169.1-68.639.6-24.3000113.2
72V33.2Very low33.4Very low146 Ų146134.7 Ų134.789%0.88570%0.702SS**  trans-142.8155.8168.1-173.80000112.1
73L28.7Very low33.5Very low152 Ų152130.2 Ų130.280%0.79670%0.695SS**  trans-86.6-176.7-168.1-67.9144.9000116.3
74N33.2Very low33.2Very low148 Ų148134.6 Ų134.679%0.79172%0.716SS**  trans97.8140.9159.9-54.2-19.5000116.6
75S33.5Very low33.2Very low107 Ų107135.7 Ų135.775%0.74874%0.735SS**  cis-163.3167.9-11.2-97.10000112.7
76L32.6Very low32.9Very low145 Ų145138.6 Ų138.676%0.75976%0.755SS**  trans-62.5161.5172.5-91.583.5000113.7
77P41.6Very low32.9Very low125 Ų125140 Ų14081%0.81276%0.763SS**  -138.4-171.558.527-2.9000115.3
78N32.9Very low32.4Very low115 Ų115139.1 Ų139.162%0.61577%0.771SS**  cis172.8176.2-41.3-139.740000106.7
79D37.2Very low32.2Very low134 Ų134140.9 Ų140.972%0.71778%0.781SS**  trans73.2150.9165.5-52-16.2000119.2
80H36.5Very low32.2Very low150 Ų150137.8 Ų137.869%0.69478%0.777SS**  cis-170.6147.3-44.3-124.5-76.2000109.6
81H36.7Very low32.7Very low178 Ų178134.4 Ų134.482%0.82477%0.765SS**  trans111.6159.1163.5-69.9-73.4000120.4
82S29.8Very low32.4Very low100 Ų100135.6 Ų135.670%0.69977%0.765SS**  trans-148.3-172.8-15361.70000112.3
83S32.2Very low32.3Very low104 Ų104134 Ų13473%0.72776%0.757SS**  trans86.5121.3178.4-31.60000113
84V26.1Very low32.6Very low142 Ų142132.5 Ų132.586%0.86175%0.754SS**  cis90.814034.6178.10000112.8
85A30.2Very low32.5Very low91 Ų91131.4 Ų131.475%0.75275%0.748SS**  trans79.7151.2-173.500000115.1
86V27.1Very low32.5Very low121 Ų121132 Ų13273%0.73374%0.742SS**  cis-179.6169.8-38.31300000105.9
87E29.9Very low32.4Very low173 Ų173130.5 Ų130.581%0.80874%0.74SS**  trans70.9120.9-179.8-75.2149-157.200113.9
88C26.5Very low32Very low118 Ų118133.4 Ų133.480%0.79774%0.742SS**  86.3103.653.5-72.20000112.8
89E30.7Very low31.9Very low190 Ų190137.2 Ų137.289%0.88875%0.753SS**  -169.5171.2121.3-105.6173.9-168.700113.2
90H31.3Very low31.7Very low177 Ų177136.7 Ų136.782%0.81976%0.757SS**  trans-148.6172.1-177.9-100.846.3000105.9
91P39.4Very low31.6Very low96 Ų96133.1 Ų133.162%0.62376%0.761SS**  cis-131.9-142.2-5.933.1-9.4000111.1
92N30.8Very low31.5Very low135 Ų135131.2 Ų131.272%0.72276%0.761SS**  trans85.4137.5167.2-53.6-32.4000115.7
93T32.1Very low31.9Very low114 Ų114131.4 Ų131.470%0.69976%0.76SS**  cis-158.9157.82.6-1.70000111.2
94T33.5Very low31.9Very low120 Ų120134.8 Ų134.874%0.73676%0.764SS**  trans61.1140.9158.754.20000118.4
95D32.3Very low32.1Very low125 Ų125131.3 Ų131.367%0.66876%0.757SS**  cis-159.6154.5-4.2-128.220.5000111.8
96N32.7Very low32.2Very low118 Ų118134.2 Ų134.263%0.63176%0.76SS**  trans54.1110.6155-54.7-38.8000119.6
97T31.6Very low32.5Very low115 Ų115133.4 Ų133.471%0.70676%0.758SS**  60135.583.961.30000115
98E32.2Very low32.4Very low185 Ų185134.1 Ų134.186%0.86476%0.761SS**  cis-156.7172.58.9-128.9163-159.300113.5
99K30.2Very low32.4Very low196 Ų196136.2 Ų136.285%0.85276%0.762SS**  trans-149.5168.6178.3-140-166.5178.6177.10107
100P34.4Very low32.2Very low122 Ų122133.9 Ų133.979%0.79276%0.755SS**  cis-129-176.5-10.442.7-26.9000114.3
101G33Very low32.1Very low75 Ų75133.1 Ų133.177%0.77375%0.752SS**  trans-170.2101.8170.700000116
102V36.3Very low31.4Very low138 Ų138134.3 Ų134.384%0.83676%0.757SS**  trans-145.1156.9-176.9159.50000106.8
103P38.1Very low31.3Very low104 Ų104134.9 Ų134.968%0.67576%0.756SS**  cis-114.5-148.74.333.2-10.5000110.9
104H31Very low31Very low175 Ų175135.4 Ų135.481%0.8176%0.755SS**  cis-162.1175.26.8-143.80.8000112.1
105G31.1Very low30.7Very low69 Ų69135.9 Ų135.971%0.71175%0.752SS**  trans135.989.6169.700000113.5
106N31Very low30.4Very low153 Ų153138 Ų13882%0.81876%0.755SS**  trans-90165.6-168.4-107.626.5000115.3
107P34.3Very low30.1Very low104 Ų104139 Ų13968%0.67576%0.759SS**  trans-112.6-173.1-157.744.1-36.9000114.4
108E28.6Very low30Very low188 Ų188138 Ų13888%0.87976%0.757SS**  trans-178.598.6132.2-102.9174.6-167.200112
109I25.1Very low29.7Very low161 Ų161138.1 Ų138.183%0.82676%0.758SS**  trans-145.2154.5167-60.2-176.1000108.2
110L28.3Very low29.6Very low142 Ų142138 Ų13874%0.74376%0.757SS**  trans82.9111.3-171.3-54169.8000111.9
111Q27.5Very low29.3Very low161 Ų161135.5 Ų135.575%0.75276%0.755SS**  76.5135.851.8-67.8-170.8-37.400114.6
112T25.8Very low29.2Very low120 Ų120139.8 Ų139.874%0.73676%0.759SS**  trans65140159.348.20000116.9
113E28.3Very low28.7Very low148 Ų148140.4 Ų140.469%0.69276%0.757SS**  cis-161.91660.4-138.5173.8-124.400112.9
114N26.1Very low28.4Very low125 Ų125143.5 Ų143.567%0.66876%0.763SS**  trans67.9162.5159.2-59.5-42.5000117.4
115L26.9Very low28.1Very low130 Ų130145.2 Ų145.268%0.68176%0.762SS**  cis-153159.914.8-162.366.5000111.8
116F26.9Very low27.8Very low169 Ų169146.5 Ų146.574%0.74176%0.76SS**  trans59.8113.5174.5-71.9-74.3000118.1
117I25.7Very low27.6Very low138 Ų138148.8 Ų148.871%0.70877%0.766SS**  cis74.696.935.5-46.1163.3000114
118S28.5Very low27.1Very low96 Ų96149.2 Ų149.267%0.67177%0.766SS**  170.8130.592.6-147.30000113.2
119Q26.9Very low27Very low187 Ų187148.3 Ų148.387%0.87477%0.767SS**  trans-103.1139.2163.5-75.5178.8-27.900109.5
120F28.7Very low27Very low192 Ų192146.5 Ų146.584%0.84276%0.764SS**  trans-145.8130.3158.1-97.7-77.1000110.6
121G27.8Very low27Very low71 Ų71144.9 Ų144.973%0.73277%0.765SS**  trans-137.8136.3167.600000109.1
122L30.9Very low26.9Very low164 Ų164144.3 Ų144.386%0.85977%0.772SS**  trans-136.1120.3174.5-75.4177.3000110.2
123N25.4Very low27Very low151 Ų151141.8 Ų141.881%0.80777%0.77SS**  trans-84.6136155.8-75.6-57.7000108.3
124Q30.6Very low26.8Very low169 Ų169139.3 Ų139.379%0.7977%0.769SS**  -174.6143.3108.3-101.4174.992.800114.8
125R26.5Very low26.8Very low212 Ų212138.7 Ų138.780%0.878%0.775SS**  trans32.199.4146.9-73.6-179.8165.7162.4-4.9119.9
126S23.1Very low26.8Very low95 Ų95138.3 Ų138.366%0.66478%0.778SS**  29.9118.411063.80000119.4
127E26.8Very low26.6Very low202 Ų202138 Ų13894%0.94478%0.783SS**  -115.7153129.1-70.6-166.9141.700108.8
128V24Very low26.4Very low113 Ų113141.5 Ų141.569%0.68579%0.788SS**  trans-110.2130.8-175.7174.90000109.4T130V128-T130 HydrophobicContact CG1-CG2 4.17Å
129N26.7Very low26.3Very low168 Ų168145.1 Ų145.190%0.89880%0.799SS**  trans-144.3149.8151.8-97.6-50.6000110
130T24.6Very low26.2Very low123 Ų123141.9 Ų141.976%0.75579%0.788SS**  trans-109.3126.6-149.742.40000114.7V128V128-T130 HydrophobicContact CG1-CG2 4.17Å
131S28.7Very low26.1Very low109 Ų109142 Ų14276%0.76279%0.791SS**  trans-156.2105.9154.8490000112.6
132T26.4Very low26.1Very low148 Ų148147 Ų14791%0.90880%0.8SS**  trans32.191150.356.20000118.8
133G27.9Very low25.9Very low67 Ų67143.6 Ų143.669%0.69179%0.79SS**  trans-176.397.1168.100000115S135G133-S135 PolarHBondContact O-N 2.71Å
134S23.8Very low26Very low96 Ų96142.5 Ų142.567%0.67179%0.791SS**  trans-60.7120.4-177.9-52.70000112.6
135S26.7Very low25.9Very low113 Ų113140.5 Ų140.579%0.7979%0.786SS**  trans-132.8114.6178.5-63.60000110.6G133G133-S135 PolarHBondContact O-N 2.71Å
136V25.2Very low26Very low122 Ų122135.5 Ų135.574%0.73978%0.783SS**  trans-111.7120.8173.6179.20000108.4
137L23Very low26.4Very low161 Ų161136.7 Ų136.784%0.84379%0.787SS**  trans-95.5125.6-178.8-73.9168000111.1
138Y23.3Very low26.3Very low212 Ų212133.8 Ų133.883%0.83178%0.783SS**  trans-87.1121.1165.4-84.3-90.3000110.1
139L26.1Very low26.6Very low172 Ų172133 Ų13390%0.90179%0.788SS**  trans-98.884.1172.1-87.5159000110.7
140N24.7Very low26.6Very low119 Ų119134 Ų13464%0.63679%0.785SS**  trans-106.9117.8156.5-80.7-45.9000107.2
141H25.9Very low26.9Very low194 Ų194136.1 Ų136.190%0.89879%0.789SS**  trans161.182.9154.4-83.4-49000110.2
142L28Very low27.1Very low178 Ų178137.1 Ų137.193%0.93279%0.786SS**  trans-133.1131.3158.2-76.9174.4000108.2
143S26.9Very low27.1Very low92 Ų92134 Ų13464%0.64377%0.77SS**  trans-82.7138.9173.2-166.90000109D145S143-D145 PolarHBondContact O-N 3.18Å; S143-D145 PolarHBondContact OG-OD2 2.99Å; S143-D145 VanDerWaalsContact OG-OD2 3.06Å
144P28.2Very low27.2Very low127 Ų127136.7 Ų136.783%0.82577%0.773SS**  trans-82.378.8-179.733.8-34.7000111.3
145D27.7Very low27.3Very low127 Ų127136 Ų13668%0.67977%0.766SS**  trans-124.5140.4173.1-70.2-72.4000111.3S143S143-D145 PolarHBondContact O-N 3.18Å; S143-D145 PolarHBondContact OG-OD2 2.99Å; S143-D145 VanDerWaalsContact OG-OD2 3.06Å
146S29.5Very low27.2Very low108 Ų108134.4 Ų134.476%0.75575%0.752SS**SBendtrans60.1116.7178.273.90000120.5
147T30.9Very low27.3Very low120 Ų120132.5 Ų132.574%0.73674%0.744SS**  trans57.991136.458.90000120.7
148T25.3Very low27.4Very low141 Ų141130.6 Ų130.687%0.86573%0.734SS**  29.4106.5125.954.20000119.3
149A29.3Very low27.6Very low95 Ų95127.2 Ų127.279%0.78572%0.723SS**  trans-131.4126.8150.400000109
150K27.7Very low27.8Very low191 Ų191124.6 Ų124.683%0.8371%0.71SS**  trans-75.6138.1173.3-74.2-175.9176.2-177.50109.8
151I30.5Very low28Very low166 Ų166125.5 Ų125.585%0.85171%0.71SS**  trans-132.7116.5160.8-60.2179000105.3
152D31.4Very low28.3Very low131 Ų131118.7 Ų118.770%0.70168%0.684SS**PPolyproline II helixtrans-78.5165.1-169.5-64.6-62.2000113.5
153S28.4Very low28.7Very low81 Ų81114 Ų11457%0.56668%0.678SS**PPolyproline II helixtrans-60.9131.4-169.2-51.20000114.1
154V28.5Very low29.1Very low124 Ų124115.6 Ų115.675%0.75268%0.68SS**PPolyproline II helixtrans-85.2121167.8-1800000109.2
155P26.5Very low29.4Very low82 Ų82117.3 Ų117.353%0.53268%0.682SS.*PPolyproline II helixtrans-73.5128.3173.429.8-32.9000110.4
156V25.3Very low29.4Very low80 Ų80115.7 Ų115.749%0.48568%0.677SS.*EExtended strand (participates in β ladder)trans-107111.9169.8-179.10000108.2L158V156-L158 HydrophobicContact CG1-CD2 4.47Å; V156-L158 HydrophobicContact CG1-CG 4.41Å
157S26.2Very low29.3Very low81 Ų81114.7 Ų114.757%0.56667%0.666SS**EExtended strand (participates in β ladder)trans-95.6114.7173.6-60.70000109.5
158L25.2Very low29.2Very low122 Ų122110.9 Ų110.964%0.63965%0.648SS**EExtended strand (participates in β ladder)trans-96.8117.5169.8-67.4176.1000108.9V156V156-L158 HydrophobicContact CG1-CD2 4.47Å; V156-L158 HydrophobicContact CG1-CG 4.41Å
159K28.5Very low29.3Very low141 Ų141108.8 Ų108.861%0.61364%0.638SS**EExtended strand (participates in β ladder)trans-96118.8172.5-164.8-171.9-170.9-165.20108.3E161K159-E161 WeakPolarHBondContact CE-OE1 3.12Å; K159-E161 IonicContact NZ-OE1 3.67Å; K159-E161 PolarHBondContact NZ-OE1 3.01Å
160L30.1Very low29.2Very low117 Ų117111.1 Ų111.161%0.61363%0.631SS**EExtended strand (participates in β ladder)trans-103.6123.4169.9-73.9164.2000108.4A168L160-A168 PolarHBondContact N-O 3.27Å; L160-A168 PolarHBondContact O-N 3.04Å
161E28.6Very low29.1Very low137 Ų137108.1 Ų108.164%0.6462%0.62SS**  trans-106.6116172.4-80.2172179.300108.2K159 T167K159-E161 WeakPolarHBondContact CE-OE1 3.12Å; K159-E161 IonicContact NZ-OE1 3.67Å; K159-E161 PolarHBondContact NZ-OE1 3.01Å; E161-T167 HydrophobicContact CG-CG2 3.84Å
162S32Very low28.9Very low51 Ų51104 Ų10436%0.35761%0.606SS.*  trans-77.9160.6165.960.50000109.9D164 T166S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 3.09Å; S162-T166 PolarHBondContact OG-N 3.29Å; S162-T166 PolarHBondContact OG-O 3.34Å; S162-T166 PolarHBondContact OG-OG1 2.98Å
163G35.3Very low28.6Very low79 Ų79105 Ų10581%0.81461%0.605SS**THydrogen-bonded Turntrans-62-21.1168.500000113.1N165G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.39Å
164D35.6Very low28.6Very low126 Ų126107.6 Ų107.667%0.67461%0.61SS**THydrogen-bonded Turntrans-9539.3-175.1-54.1-60.3000112.9S162 T166S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 3.09Å; D164-T166 PolarHBondContact O-N 3.27Å; D164-T166 PolarHBondContact O-OG1 3.1Å
165N34.1Very low28.6Very low163 Ų163107.4 Ų107.487%0.87261%0.61SS**SBendtrans50.220.7174.1-81.1-40000116.2G163G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.39Å
166T29.3Very low28.9Very low94 Ų94111.9 Ų111.958%0.57762%0.621SS**  trans-109.783.1-169.829.60000110.8S162 D164 A168S162-T166 PolarHBondContact OG-N 3.29Å; S162-T166 PolarHBondContact OG-O 3.34Å; S162-T166 PolarHBondContact OG-OG1 2.98Å; D164-T166 PolarHBondContact O-N 3.27Å; D164-T166 PolarHBondContact O-OG1 3.1Å; T166-A168 PolarHBondContact O-N 3.07Å; T166-A168 VanDerWaalsContact O-N 3.16Å
167T27.7Very low29.1Very low86 Ų86110.9 Ų110.953%0.52863%0.627SS.*  trans-69106.1176.550.60000111.7E161E161-T167 HydrophobicContact CG-CG2 3.84Å
168A28.5Very low29.4Very low41 Ų41114.2 Ų114.234%0.33964%0.638SS.*EExtended strand (participates in β ladder)trans-89.9122.7166.200000109.7L160 T166 F170L160-A168 PolarHBondContact N-O 3.27Å; L160-A168 PolarHBondContact O-N 3.04Å; T166-A168 PolarHBondContact O-N 3.07Å; T166-A168 VanDerWaalsContact O-N 3.16Å; A168-F170 HydrophobicContact CB-CD2 4.35Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 4.45Å
169S27.4Very low29.6Very low96 Ų96114 Ų11467%0.67164%0.638SS**EExtended strand (participates in β ladder)trans-110.4108.4177.7176.60000109.8
170F26.7Very low29.6Very low144 Ų144114.4 Ų114.463%0.63265%0.647SS**EExtended strand (participates in β ladder)trans-101.1135.2175.5-67-82.3000110.8A168A168-F170 HydrophobicContact CB-CD2 4.35Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 4.45Å
171Q26.2Very low29.6Very low129 Ų129112.7 Ų112.760%0.60365%0.649SS**EExtended strand (participates in β ladder)trans-127.6111.8178-166.817430.900108.4
172S25.8Very low29.5Very low79 Ų79112.8 Ų112.855%0.55266%0.659SS**EExtended strand (participates in β ladder)trans-120.9144.3179.859.80000111
173F25.4Very low29.2Very low153 Ų153115.8 Ų115.867%0.67168%0.675SS**  trans-98.8105178.6-64.9-83.2000109.4T175F173-T175 PolarHBondContact O-N 3.08Å
174I28.6Very low28.9Very low134 Ų134113.3 Ų113.369%0.68765%0.65SS**  trans-81.7105.1173.3-58.4176.7000108.3
175T27.9Very low28.7Very low120 Ų120115.4 Ų115.474%0.73666%0.66SS**  trans-78.4143.5168.147.80000110.2F173 G177F173-T175 PolarHBondContact O-N 3.08Å; T175-G177 PolarHBondContact O-N 3.14Å
176K32.8Very low28.7Very low176 Ų176115.1 Ų115.177%0.76566%0.659SS**  trans-85.998.5-164-170.3175.9-178.6179.40112.8N179K176-N179 WeakPolarHBondContact CE-OD1 3.13Å
177G29.6Very low28.9Very low60 Ų60116 Ų11662%0.61966%0.66SS**  trans-72.5166.5157.100000112.2T175T175-G177 PolarHBondContact O-N 3.14Å
178D31.8Very low29.1Very low150 Ų150116.9 Ų116.980%0.80266%0.661SS**  trans-63.9154.2-167.8-84.2-51.8000115.8N180D178-N180 PolarHBondContact O-N 3.15Å
179N29.4Very low29.2Very low119 Ų119120.7 Ų120.764%0.63668%0.682SS**THydrogen-bonded Turntrans-70.477.5-169.5-48.1-75.2000113.3K176K176-N179 WeakPolarHBondContact CE-OD1 3.13Å
180N29.8Very low29.5Very low149 Ų149123.4 Ų123.480%0.79769%0.688SS**THydrogen-bonded Turntrans-166.112.6153.9-98-45.4000114.1D178 T182D178-N180 PolarHBondContact O-N 3.15Å; N180-T182 PolarHBondContact O-N 3.19Å; N180-T182 VanDerWaalsContact O-N 3.07Å
181A28.7Very low29.8Very low80 Ų80120.3 Ų120.366%0.66168%0.678SS**  trans-72.799.3-179.100000112.6V183A181-V183 VanDerWaalsContact C-N 3.29Å; A181-V183 HydrophobicContact CB-CG2 4.39Å; A181-V183 PolarHBondContact O-N 2.66Å
182T26.3Very low30.1Very low139 Ų139119.6 Ų119.685%0.85368%0.682SS**  trans-70.289.9154.650.30000108.2N180 G184N180-T182 PolarHBondContact O-N 3.19Å; N180-T182 VanDerWaalsContact O-N 3.07Å; T182-G184 PolarHBondContact O-N 2.75Å; T182-G184 VanDerWaalsContact O-N 3.14Å
183V27.2Very low30.3Very low114 Ų114122.8 Ų122.869%0.69169%0.693SS**  trans-62.4113.9177.4179.70000108.9A181A181-V183 VanDerWaalsContact C-N 3.29Å; A181-V183 HydrophobicContact CB-CG2 4.39Å; A181-V183 PolarHBondContact O-N 2.66Å
184G27.4Very low30.6Very low27 Ų27118.1 Ų118.128%0.27868%0.683SS.*  trans-78.4146.1170.700000109.8T182 N186 D187T182-G184 PolarHBondContact O-N 2.75Å; T182-G184 VanDerWaalsContact O-N 3.14Å; G184-N186 PolarHBondContact O-N 3.07Å; G184-D187 PolarHBondContact N-OD2 2.84Å; G184-D187 VanDerWaalsContact N-OD2 3.08Å; G184-D187 PolarHBondContact O-N 3.06Å
185L32.1Very low30.8Very low171 Ų171117.4 Ų117.490%0.89568%0.68SS**THydrogen-bonded Turntrans-62.7-7.4171.6-66.8172.5000113.2
186N34Very low31.2Very low157 Ų157115.3 Ų115.384%0.8467%0.67SS**THydrogen-bonded Turntrans-83.3-13.5176.5-57.1-15.4000113.1G184 L188G184-N186 PolarHBondContact O-N 3.07Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.4Å
187D32.9Very low31.2Very low112 Ų112113.4 Ų113.460%0.59967%0.668SS**  trans-92.219.8-171.6-58.1-51.7000113.4G184 P189G184-D187 PolarHBondContact N-OD2 2.84Å; G184-D187 VanDerWaalsContact N-OD2 3.08Å; G184-D187 PolarHBondContact O-N 3.06Å; D187-P189 VanDerWaalsContact O-CD 3.3Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å
188L32.1Very low31.4Very low105 Ų105115.5 Ų115.555%0.5567%0.665SS.*  trans-107.395179.5-12175.7000111.9N186 L190 L191N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.4Å; L188-L190 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CB-CD1 4.34Å; L188-L191 HydrophobicContact CD2-CD1 4.03Å
189P30.8Very low31.4Very low120 Ų120116.7 Ų116.778%0.77967%0.666SS**THydrogen-bonded Turntrans-78.240.7-174.134.3-38.5000114.3D187D187-P189 VanDerWaalsContact O-CD 3.3Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å
190L33.7Very low31.5Very low153 Ų153117 Ų11780%0.80168%0.677SS**THydrogen-bonded Turntrans-138.9-8176.1-74.1177000114.8L188L188-L190 PolarHBondContact O-N 2.85Å
191L32.8Very low31.4Very low79 Ų79113.8 Ų113.841%0.41466%0.663SS.*G310 helixtrans-81.4-21.6-175.8-95.5161.7000114.6L188 N193 A194 L195L188-L191 HydrophobicContact CB-CD1 4.34Å; L188-L191 HydrophobicContact CD2-CD1 4.03Å; L191-N193 PolarHBondContact O-N 3.33Å; L191-A194 PolarHBondContact O-N 3.17Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 HydrophobicContact CD2-CD1 4.39Å; L191-L195 HydrophobicContact CD2-CG 4.39Å; L191-L195 PolarHBondContact O-N 3.32Å
192T32.3Very low31.4Very low115 Ų115116.1 Ų116.171%0.70667%0.673SS**G310 helixtrans-62.9-23.1-175.920.10000114.8
193N30.5Very low31.3Very low145 Ų145116.6 Ų116.678%0.77567%0.668SS**G310 helixtrans-98.7-1.4179.1-68.84000113.8L191L191-N193 PolarHBondContact O-N 3.33Å
194A32.4Very low31.2Very low56 Ų56117.5 Ų117.546%0.46368%0.675SS.*THydrogen-bonded Turntrans-101.4-28.5175.100000112.3L191L191-A194 PolarHBondContact O-N 3.17Å; L191-A194 VanDerWaalsContact O-N 3.15Å
195L33.3Very low31.2Very low119 Ų119121.9 Ų121.962%0.62370%0.696SS**G310 helixtrans-84.5-6-177-64.8172.2000114.1L191 N197L191-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 HydrophobicContact CD2-CD1 4.39Å; L191-L195 HydrophobicContact CD2-CG 4.39Å; L191-L195 PolarHBondContact O-N 3.32Å; L195-N197 PolarHBondContact O-N 2.92Å
196S35.1Very low30.9Very low75 Ų75121 Ų12152%0.52469%0.692SS.*G310 helixtrans-70.8-11.4176.958.30000114.5
197N34Very low30.6Very low136 Ų136121.9 Ų121.973%0.72769%0.691SS**G310 helixtrans-116.711.2-169.7-61.69.1000113L195L195-N197 PolarHBondContact O-N 2.92Å
198L32.3Very low30.3Very low104 Ų104122.6 Ų122.655%0.54570%0.699SS.*  trans-123.555.4178.6-7293.5000111.6
199E31.9Very low30Very low176 Ų176122.4 Ų122.482%0.82271%0.713SS**THydrogen-bonded Turntrans-68.2131.4160.4-61.2-171.914900108.8
200S31.4Very low29.9Very low125 Ų125123.9 Ų123.987%0.87472%0.719SS**THydrogen-bonded Turntrans92.919.7174.3-37.50000120.2
201T28.5Very low29.4Very low82 Ų82121.7 Ų121.750%0.50372%0.717SS.*  trans-110.7119.9170.153.20000114.1
202C28.4Very low29.2Very low128 Ų128127 Ų12787%0.86574%0.739SS**  trans-79.8122.9174.7-60.70000111.5
203I24.6Very low29Very low149 Ų149126.4 Ų126.476%0.76474%0.74SS**  trans-95.5106179.1-54.9177.7000110.5V205I203-V205 HydrophobicContact CG2-CG2 3.88Å
204T25.1Very low28.9Very low134 Ų134126 Ų12682%0.82274%0.743SS**  trans-95113.8165.549.80000109.8
205V27.1Very low28.5Very low119 Ų119131.2 Ų131.272%0.72175%0.752SS**  trans-94.6102.9176.8-176.60000109.6I203I203-V205 HydrophobicContact CG2-CG2 3.88Å
206D26.1Very low28.1Very low151 Ų151133.6 Ų133.681%0.80776%0.764SS**  trans-80.8136.2173.8-154.2-6.3000110.6
207Q27.4Very low27.8Very low176 Ų176133.7 Ų133.782%0.82277%0.769SS**  trans-106.2103.1-168.6-71.6-168.85.200112.6
208T27.2Very low27.4Very low127 Ų127134.8 Ų134.878%0.77978%0.775SS**  trans-124.7118.6170.354.50000113.7
209A25.1Very low27.2Very low101 Ų101141.2 Ų141.284%0.83579%0.792SS**  trans57.571.5149.300000120.1
210V28.6Very low27Very low151 Ų151138 Ų13892%0.91579%0.79SS**  trans-129.2114.9136.6-176.80000109.2
211S24.1Very low26.9Very low107 Ų107138 Ų13875%0.74878%0.784SS**  trans-94.5108.3-173.256.70000112.9
212H27.6Very low26.8Very low191 Ų191138.5 Ų138.588%0.88480%0.797SS**  trans-153.7138.4151.4-107.7-80.5000109.9
213S28.2Very low26.8Very low103 Ų103139.5 Ų139.572%0.7280%0.799SS**  trans-88.7115.6-15848.10000115.7Y215S213-Y215 PolarHBondContact O-N 3.19Å
214T29Very low27Very low135 Ų135139.1 Ų139.183%0.82880%0.804SS**  trans-81.799.2162.634.20000110.8L216T214-L216 PolarHBondContact O-N 2.86Å
215Y23.6Very low27.2Very low166 Ų166137 Ų13765%0.65180%0.8SS**  trans-8280-174.3-138.7-81.6000113S213 A217S213-Y215 PolarHBondContact O-N 3.19Å; Y215-A217 HydrophobicContact CD1-CB 4.1Å; Y215-A217 HydrophobicContact CE1-CB 4.4Å; Y215-A217 PolarHBondContact O-N 2.98Å
216L25.6Very low27.3Very low169 Ų169136.7 Ų136.789%0.88580%0.803SS**  trans-71.589.3168.6-86.5169.3000110.9T214T214-L216 PolarHBondContact O-N 2.86Å
217A27.8Very low27.4Very low77 Ų77137.1 Ų137.164%0.63681%0.805SS**  trans-95.690174.800000112.1Y215Y215-A217 HydrophobicContact CD1-CB 4.1Å; Y215-A217 HydrophobicContact CE1-CB 4.4Å; Y215-A217 PolarHBondContact O-N 2.98Å
218N25.5Very low27.6Very low160 Ų160134.4 Ų134.486%0.85680%0.802SS**  trans-59.8136.1157.1-80.1-38.8000109.4
219R28.6Very low27.4Very low238 Ų238134.6 Ų134.690%0.89880%0.803SS**  trans-137.291.5160.4-157.3170.1-167.31674.9111.6
220S26.6Very low27.7Very low110 Ų110137.5 Ų137.577%0.76980%0.803SS**  trans-76.2124.1172360000111.5
221T29.8Very low27.5Very low124 Ų124135.4 Ų135.476%0.76180%0.795SS**  trans-148.788.4153.445.10000106.1
222A27.3Very low27.6Very low93 Ų93136 Ų13677%0.76980%0.8SS**  77.482.280.700000113.1
223T28.9Very low27.6Very low149 Ų149130.8 Ų130.891%0.91479%0.789SS**  trans-151.8143.1144.1-8.20000108.1
224T27.2Very low27.4Very low140 Ų140132.6 Ų132.686%0.85980%0.795SS**  trans-115.4133.6-157.247.80000113.8
225A29.4Very low27.4Very low89 Ų89131.4 Ų131.474%0.73679%0.788SS**  trans-163.1137.9149.300000112.3
226S30.6Very low27.5Very low114 Ų114131.3 Ų131.380%0.79780%0.798SS**  trans42.195.4157.158.40000119.8
227L28.1Very low27.7Very low160 Ų160127.3 Ų127.384%0.83878%0.784SS**PPolyproline II helixtrans-88.9145.9146.1-94.969.9000109.8
228P30.6Very low27.7Very low118 Ų118131.4 Ų131.477%0.76680%0.795SS**PPolyproline II helixtrans-92.4128147.933.2-26.8000110.3
229T24.4Very low27.9Very low131 Ų131130.4 Ų130.480%0.80480%0.795SS**PPolyproline II helixtrans-80.7124.6174.8480000111.6
230I29.9Very low27.8Very low163 Ų163122.6 Ų122.684%0.83679%0.788SS**  trans-139.1122.3158.6-50.8-179.8000108.7
231S24.7Very low28Very low107 Ų107125.1 Ų125.175%0.74879%0.792SS**  trans-75.6149.6170-49.40000110.7
232S27Very low27.9Very low120 Ų120125.1 Ų125.184%0.83979%0.792SS**  167.6145.9129-790000113.9
233A26.5Very low28.2Very low80 Ų80128.8 Ų128.866%0.66179%0.793SS**  trans24.4115.2149.500000119.7V235A233-V235 HydrophobicContact CB-CG2 4.14Å; A233-V235 PolarHBondContact O-N 3.49Å; A233-V235 VanDerWaalsContact O-N 3.09Å
234V25.4Very low28.3Very low141 Ų141128.9 Ų128.986%0.85579%0.788SS**  trans-66.6102.1149.1175.60000107.7L236V234-L236 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact O-N 3.1Å
235V27.5Very low28.4Very low111 Ų111128.2 Ų128.267%0.67379%0.786SS**  trans-78.693176.41790000109.2A233 S237A233-V235 HydrophobicContact CB-CG2 4.14Å; A233-V235 PolarHBondContact O-N 3.49Å; A233-V235 VanDerWaalsContact O-N 3.09Å; V235-S237 VanDerWaalsContact CG1-OG 3.3Å; V235-S237 WeakPolarHBondContact CG1-OG 3.46Å
236L27.2Very low28.5Very low163 Ų163130.2 Ų130.285%0.85379%0.794SS**  trans-71125.2156.4-76.4168.1000108.1V234V234-L236 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact O-N 3.1Å
237S28.1Very low28.2Very low86 Ų86133.1 Ų133.160%0.60180%0.799SS**  trans-154.2110.8174.9-72.50000110.5V235V235-S237 VanDerWaalsContact CG1-OG 3.3Å; V235-S237 WeakPolarHBondContact CG1-OG 3.46Å
238N27.8Very low28.2Very low162 Ų162130.9 Ų130.987%0.86680%0.797SS**  trans157.664.2132.2-76.6-9.3000112.4
239V31.1Very low28Very low139 Ų139132 Ų13284%0.84280%0.801SS**  trans-128.1115.9145.3-178.60000106
240G25.7Very low28.1Very low74 Ų74131.3 Ų131.376%0.76380%0.802SS**  trans-96.6108.1-177.500000111
241L32.2Very low28Very low164 Ų164127.6 Ų127.686%0.85980%0.796SS**  trans-120.6137.8158.3-70.8176.3000108.2
242T27.7Very low28.3Very low123 Ų123130.7 Ų130.776%0.75580%0.804SS**  trans-101.8160-171.550.60000111.2
243Q33.4Very low28.5Very low170 Ų170130.2 Ų130.279%0.79480%0.796SS**  trans70.893.5171.4-47.3176.520.200116.1
244N29.5Very low28.8Very low151 Ų151134.4 Ų134.481%0.80781%0.807SS**  173.4130.7108.7-85.7-38.5000112.1
245P31Very low29.1Very low126 Ų126132.9 Ų132.982%0.81880%0.8SS**  trans-102.8110178.135.4-28.1000112.8
246C30.2Very low29.6Very low132 Ų132133.8 Ų133.889%0.89281%0.806SS**  trans-125130.3167.6-750000110.7
247L24Very low30Very low175 Ų175131.7 Ų131.792%0.91680%0.802SS**  trans-92.2144.9-177.6-73143.5000111.5
248S28.8Very low30.2Very low113 Ų113131.2 Ų131.279%0.7981%0.811SS**  -177.5146.5115.338.20000111.7
249V25.3Very low30.3Very low140 Ų140132 Ų13285%0.84881%0.813SS**  trans-132116.7166.7174.80000106.3
250S27.7Very low30.3Very low118 Ų118129.3 Ų129.383%0.82581%0.805SS**  trans-85.8130170.6-63.10000109.4
251A28.4Very low30.2Very low85 Ų85135.6 Ų135.670%0.70281%0.812SS**  trans-126.7109.4174.100000108.8
252D31.1Very low30.1Very low172 Ų172133.7 Ų133.792%0.9281%0.812SS**  trans-75.6153.2174.4-84.9-52.2000111.9
253T30.8Very low30.1Very low110 Ų110133.9 Ų133.968%0.67581%0.813SS**  trans-110.6148.6-155.356.70000114
254N31.8Very low29.9Very low168 Ų168137.7 Ų137.790%0.89882%0.82SS**  trans-167.1112.4146.2-100.5-51.7000110.6
255P33Very low29.9Very low109 Ų109137.9 Ų137.971%0.70882%0.821SS**  trans-111.8-162.7179.529.6-12.3000113.6
256V36.5Very low30.1Very low130 Ų130140.7 Ų140.779%0.78882%0.823SS**  trans87135.7161.5-170.90000116
257P35.8Very low30.1Very low119 Ų119139.8 Ų139.877%0.77382%0.816SS**  cis-144.6175.8-36.641.8-23.1000116.3
258G32.2Very low31.1Very low76 Ų76137.7 Ų137.778%0.78481%0.813SS**  trans82.9160.5158.300000116.8
259I31Very low31.2Very low179 Ų179142.6 Ų142.692%0.91882%0.816SS**  cis-129.8172.48.3-72.6175.6000110.8
260A29.6Very low31.5Very low81 Ų81143.2 Ų143.267%0.66981%0.813SS**  trans-72.6154.8-160.800000120
261F24.2Very low31.7Very low207 Ų207143 Ų14391%0.90881%0.808SS**  trans-6.5143150.4-52.9-91.4000120.7
262S30.1Very low31.9Very low123 Ų123142.7 Ų142.786%0.8681%0.806SS**  -163.3164.7110.4-160.30000112.1
263T28.5Very low32.1Very low128 Ų128140.6 Ų140.679%0.78580%0.801SS**  trans-118.6141.3-173.4530000113.3
264R29.4Very low32Very low250 Ų250142.5 Ų142.594%0.94381%0.807SS**  trans-160.9149.8153-129.5172.7-177.7166.61.1113.8
265N29.6Very low32.1Very low154 Ų154140.7 Ų140.782%0.82480%0.801SS**  trans-85.6137.6177.4-57.2-40.6000111.4
266Q33.2Very low32Very low185 Ų185142.1 Ų142.186%0.86480%0.803SS**  170.3153.8124.5-95.2176-20.200111.3
267P31.6Very low31.8Very low114 Ų114139 Ų13974%0.7480%0.796SS**  trans-85.6144.6-176.934-34.2000112.7Y269P267-Y269 PolarHBondContact O-N 3.04Å
268P43.5Very low31.6Very low130 Ų130140.7 Ų140.784%0.84480%0.799SS**  trans-77.7109174.230.6-32.5000111.4
269Y32.5Very low31.6Very low217 Ų217140.2 Ų140.285%0.85179%0.794SS**  trans-64.2158151.7-152.4-96.5000109P267 P271P267-Y269 PolarHBondContact O-N 3.04Å; Y269-P271 WeakPolarHBondContact O-CD 3.31Å
270I31.2Very low31.6Very low153 Ų153138.6 Ų138.679%0.78579%0.786SS**  trans-74.6133.5-178.4-59.3168.2000110.7
271P31.5Very low31.6Very low113 Ų113140 Ų14073%0.73479%0.787SS**  trans-120.4150142.137.2-31.6000111.7Y269Y269-P271 WeakPolarHBondContact O-CD 3.31Å
272A33.3Very low31.8Very low79 Ų79137.9 Ų137.965%0.65378%0.784SS**  trans-79.9151.6172.500000111.6L274A272-L274 VanDerWaalsContact C-N 3.35Å; A272-L274 PolarHBondContact O-N 3.23Å
273P35.2Very low31.9Very low127 Ų127138 Ų13883%0.82578%0.78SS**  trans-74.885.9167.531.5-33.4000110.7
274L28.7Very low31.9Very low151 Ų151137.5 Ų137.579%0.79178%0.777SS**  trans-84.199.8157.7-84.4174.1000109.2A272 L276A272-L274 VanDerWaalsContact C-N 3.35Å; A272-L274 PolarHBondContact O-N 3.23Å; L274-L276 HydrophobicContact CB-CD1 4.32Å
275V33.9Very low31.9Very low129 Ų129132.4 Ų132.478%0.78277%0.768SS**  trans-141.6102.8166.5-178.90000105.1
276L30Very low31.9Very low140 Ų140131.9 Ų131.973%0.73376%0.764SS**  63.214363.2-7478.8000113.6L274L274-L276 HydrophobicContact CB-CD1 4.32Å
277G32Very low31.8Very low64 Ų64129 Ų12966%0.6676%0.759SS**  trans103.673.7-17400000111.4
278N31.9Very low31.8Very low154 Ų154127.6 Ų127.682%0.82476%0.758SS**  77.5137.464.6-55.41.9000112.6
279G31.7Very low31.4Very low66 Ų66129.1 Ų129.168%0.6875%0.753SS**  trans120.673.5-168.900000110.4
280L32.5Very low31.6Very low145 Ų145125 Ų12576%0.75975%0.746SS**  cis53.186.148.9-62.8179.9000110.2
281T28.1Very low32.1Very low110 Ų110122.3 Ų122.368%0.67574%0.74SS**  77.1117.190.354.70000113.8
282L28.3Very low32.4Very low163 Ų163122.6 Ų122.685%0.85375%0.745SS**  trans65.2161.8164.6-53.3165.7000113.1
283T33Very low32.6Very low127 Ų127121.8 Ų121.878%0.77975%0.745SS**  cis-142.315912-37.60000110.4
284T28.8Very low32.5Very low117 Ų117123.7 Ų123.772%0.71875%0.747SS**  trans-62.1162.4162.6-30.80000111.4
285L28.8Very low32.7Very low143 Ų143124 Ų12475%0.74975%0.749SS**  trans90.4116.9158-61.2169.5000120.2
286L29.7Very low32.8Very low142 Ų142124 Ų12474%0.74375%0.75SS**  trans82.7139.4130.7-67.7169.8000122.3
287T31.1Very low33.2Very low124 Ų124122.2 Ų122.276%0.76175%0.746SS**  trans64.7119.6151.145.90000117.5
288A32.4Very low33.3Very low86 Ų86124.5 Ų124.571%0.71175%0.747SS**  77.7138.495.200000112.3
289E35Very low33.4Very low162 Ų162123.3 Ų123.376%0.75775%0.746SS**  cis-160.7176.65.6-130178.5-148.100109.7
290N36.5Very low33.7Very low131 Ų131126.1 Ų126.170%0.70175%0.752SS**  trans27.4136.4142.6-61.1-32000120.8
291S41.1Very low33.6Very low95 Ų95126.2 Ų126.266%0.66475%0.754SS**  cis-177.71773.159.80000111
292S39.2Very low34.1Very low119 Ų119127.5 Ų127.583%0.83276%0.761SS**  trans70.2135156.7-49.70000117.9
293G36.6Very low34.3Very low63 Ų63124 Ų12465%0.64976%0.756SS**  cis-152.3153.2-4.900000110.2
294L32.4Very low34.5Very low166 Ų166128 Ų12887%0.86976%0.763SS**  57.4124.194.7-98.673.5000113.4
295L34.6Very low34.7Very low157 Ų157129.7 Ų129.782%0.82277%0.767SS**  cis-136.916824.8-83.3162.9000114.6
296T34.3Very low35.3Very low131 Ų131128.1 Ų128.180%0.80477%0.765SS**  trans-115.9-157.2178.550.30000110.4
297P38.9Very low35.5Very low102 Ų102128.4 Ų128.466%0.66277%0.766SS**  -129.6-156.3-85.341-23.6000114
298T35.1Very low35.7Very low111 Ų111129.9 Ų129.968%0.68177%0.769SS**  trans72110.8152.643.60000121.9
299T33.2Very low36Very low129 Ų129129.7 Ų129.779%0.79177%0.767SS**  trans60.6138.9134.562.70000120.2
300P37.7Very low36.2Very low125 Ų125127.5 Ų127.581%0.81277%0.77SS**  -145.9175.487.241.5-26.6000115.9
301N31.7Very low36.6Very low148 Ų148127.7 Ų127.779%0.79178%0.778SS**  trans-83.6-179.7160.8-91.2-33.8000111.1
302T37.3Very low36.7Very low136 Ų136126.4 Ų126.483%0.83478%0.78SS**  trans91.8116.4159.870.40000119.7
303A32.5Very low36.9Very low90 Ų90127.3 Ų127.374%0.74478%0.783SS**  trans41.9122136.900000121.9
304F36.6Very low37Very low212 Ų212128.4 Ų128.493%0.9379%0.794SS**  trans-145.5140.9131.4-99.2-75.2000110.8
305L34.1Very low37.1Very low151 Ų151124.3 Ų124.379%0.79179%0.792SS**  trans-109.5152.2172.6-83.7164.5000109.6
306P40.9Very low37Very low110 Ų110126.6 Ų126.671%0.71480%0.796SS**  -116.6148.5109.9-828.7000111
307L34.8Very low37.1Very low148 Ų148130.8 Ų130.878%0.77580%0.798SS**  58120.862.1-54.7160.7000110.9
308L35Very low37.2Very low156 Ų156131.4 Ų131.482%0.81780%0.8SS**  cis-146.4176.611.1-140.567.1000107.1
309A37.9Very low37.4Very low81 Ų81132.4 Ų132.467%0.66981%0.809SS**  cis-156.3-154.412.300000112.4
310S38.9Very low37.6Very low117 Ų117130 Ų13082%0.81881%0.809SS**  trans-148.9173169.7-42.90000107.6
311P46.4Very low37.3Very low134 Ų134130.5 Ų130.587%0.8781%0.81SS**  -131.7-1705138.5-18.9000112.5
312G41.9Very low37.4Very low68 Ų68131.6 Ų131.670%0.70182%0.815SS**  cis-166.4-1794.900000112.7
313P44.7Very low37.4Very low139 Ų139131.4 Ų131.490%0.90381%0.814SS**  trans-125.6170.9-153.142.3-31000117.4
314G37.8Very low37.6Very low85 Ų85130.9 Ų130.988%0.87682%0.817SS**  trans133134.9152.300000115.7
315G35Very low37.8Very low80 Ų80129.8 Ų129.883%0.82582%0.82SS**  trans162.131.4175.600000120.2
316F31.4Very low38Very low206 Ų206126.6 Ų126.690%0.90482%0.823SS**  trans-97.5113.2172.7-85.7-84.6000111.7
317Y36.5Very low37.7Very low219 Ų219128.6 Ų128.686%0.85983%0.828SS**  trans-148.8117163.3-93.4-73.6000114.4
318T42.4Very low38.2Very low114 Ų114126.5 Ų126.570%0.69982%0.823SS**  trans32.4127.1143.155.50000121.8
319P38.2Very low38.3Very low132 Ų132125.3 Ų125.386%0.85782%0.823SS**PPolyproline II helixtrans-74.2128.1156.532.2-31.7000110.8
320G37.3Very low38.3Very low78 Ų78125.1 Ų125.180%0.80483%0.828SS**PPolyproline II helixtrans-88.3129.8179.700000113.3
321V31.7Very low38Very low137 Ų137124.8 Ų124.883%0.8382%0.822SS**PPolyproline II helixtrans-85.9130.3171.8174.80000109.9
322L35Very low37.3Very low171 Ų171127.1 Ų127.190%0.89582%0.818SS**  trans-134.1133.3158.7-96.7174.3000112
323T36.7Very low36.8Very low131 Ų131128.9 Ų128.980%0.80482%0.82SS**  trans-71.7143.7-169.646.80000114.8
324G37.5Very low36Very low80 Ų80132 Ų13283%0.82582%0.82SS**  trans-147.593.8170.700000112.4
325L39.5Very low35.8Very low189 Ų189136.3 Ų136.399%0.9982%0.822SS**  trans-45.5135.4-175.1-65.9153.8000116
326G38.5Very low35.8Very low83 Ų83136.9 Ų136.986%0.85681%0.813SS**  trans165.985.9167.700000115.8
327N34.5Very low36.1Very low153 Ų153132.7 Ų132.782%0.81881%0.807SS**  trans-116.3156.9172.2-144-7.9000107.7
328P44.6Very low36.1Very low103 Ų103127.9 Ų127.967%0.66980%0.8SS**  -151.715768.440.5-20.7000118.7
329T37.9Very low36.3Very low132 Ų132128.1 Ų128.181%0.8180%0.803SS**  trans62.213314351.50000121.9
330G37.1Very low36Very low76 Ų76128.6 Ų128.678%0.78480%0.799SS**  trans168.134.6170.400000118.5
331T32.7Very low35.9Very low110 Ų110133.2 Ų133.268%0.67580%0.804SS**  trans-35.1129.6167.851.30000113.5
332F32.3Very low35.9Very low183 Ų183134.6 Ų134.680%0.80381%0.806SS**  -174.217162.7-78.7-69.9000108.6
333S32.7Very low35.8Very low105 Ų105131.3 Ų131.373%0.73480%0.803SS**  cis-159.4178.6-3.6-122.20000110.3
334F27.3Very low35.8Very low204 Ų204130.5 Ų130.590%0.89580%0.803SS**  trans-98.5152.8168.3-77.3-105.3000112.4
335L33.5Very low35.6Very low176 Ų176131.5 Ų131.592%0.92180%0.797SS**  trans-162128.9139.4-109.7168.4000110.9
336S34.4Very low35.2Very low92 Ų92129.7 Ų129.764%0.64379%0.789SS**  trans-110161.3163.3-168.50000107.6
337P38.5Very low34.8Very low119 Ų119130.3 Ų130.377%0.77379%0.786SS**  -150.1164.699.538.3-21.9000116.2
338V35.1Very low34.8Very low118 Ų118132.3 Ų132.372%0.71579%0.79SS**PPolyproline II helixtrans-97.5137.9160.8174.90000109.3
339P47.1Very low34.1Very low118 Ų118131.9 Ų131.977%0.76680%0.796SS**PPolyproline II helixtrans-99.5117.1162.933.5-25.9000111.6
340N32.5Very low34Very low143 Ų143132.4 Ų132.477%0.76580%0.799SS**PPolyproline II helixtrans-77.1145.4161.1-78.3-40.7000109.8
341L35.5Very low33.6Very low174 Ų174136 Ų13691%0.91180%0.8SS**  trans-134.6132.7155.9-78.8179.1000110.8
342L30.1Very low33.6Very low166 Ų166138.8 Ų138.887%0.86981%0.809SS**  trans-81.7145.9177.2-81.257000110.6
343A34.7Very low33.6Very low102 Ų102134.5 Ų134.584%0.84380%0.802SS**  trans-155.9139.9143.500000112.8
344S34.8Very low33.5Very low115 Ų115137.1 Ų137.180%0.80481%0.806SS**  trans-37.5166.3160.5-60.20000117.3
345S35.1Very low33.8Very low100 Ų100131.3 Ų131.370%0.69980%0.803SS**  cis-174.6153.1-16.550.50000111.4
346N29.7Very low33.9Very low152 Ų152128 Ų12881%0.81380%0.796SS**  trans5.2138.7151.5-50.2-7.3000121.5
347A30.6Very low34Very low96 Ų96129.2 Ų129.279%0.79380%0.804SS**  trans67.8159.1154.700000116.3
348E33.8Very low33.8Very low194 Ų194133 Ų13391%0.90781%0.808SS**  cis-133.4-176.816.4-65.6177.412200112.6
349A29.7Very low33.8Very low95 Ų95131.5 Ų131.579%0.78581%0.808SS**  trans-117.8143.5175.200000111.7
350T36.8Very low33.3Very low142 Ų142134.1 Ų134.187%0.87181%0.81SS**  trans-153.5159.8163.39.90000112.2
351N28.2Very low33.4Very low153 Ų153133.5 Ų133.582%0.81881%0.812SS**  trans-86.7-163.2-178.7-65.5-69.9000112.4
352I33.7Very low33.3Very low167 Ų167130 Ų13086%0.85680%0.802SS**  trans93.5137.3166.9-54.2162.2000114
353S30.7Very low33.5Very low94 Ų94127.8 Ų127.866%0.65780%0.795SS**  cis-166.4161.2-28.7-166.40000110.7
354I31Very low33.5Very low159 Ų159128.9 Ų128.982%0.81579%0.791SS**  trans-2.1132156.5-57.8161.3000117.9
355G34.7Very low33.4Very low82 Ų82127 Ų12785%0.84578%0.782SS**  trans-163.8121.8160.500000112.8
356S34.8Very low33.2Very low108 Ų108129 Ų12976%0.75579%0.786SS**  trans-143.8129.1-170.760.10000114.7
357S36.9Very low33.4Very low116 Ų116127.1 Ų127.181%0.81178%0.78SS**  trans-161.2138.815848.60000108.7
358F33.7Very low33.4Very low199 Ų199130.5 Ų130.587%0.87378%0.781SS**  cis83.294.525.4-89-79.2000118
359A36.3Very low33.4Very low86 Ų86126.7 Ų126.771%0.71177%0.771SS**  trans-166.2127.9142.900000106.5
360Q36.4Very low33.4Very low173 Ų173130.5 Ų130.581%0.80877%0.77SS**  63.313362.4-63.5-177-6.500112.5
361T33.6Very low33.2Very low131 Ų131132 Ų13280%0.80477%0.767SS**  cis-160.4176.9-43.80000107.5
362S34.6Very low33.3Very low100 Ų100131.7 Ų131.770%0.69976%0.761SS**  cis-138.6-164.77.351.10000109.6
363V32.9Very low33.3Very low120 Ų120132.5 Ų132.573%0.72776%0.76SS**  cis66.5132.727.1-138.40000114.3
364T34.4Very low33.1Very low124 Ų124136.5 Ų136.576%0.76177%0.771SS**  cis-117.5162.68.947.90000112.1
365A32.6Very low33Very low75 Ų75134.2 Ų134.262%0.6277%0.767SS**  cis8288.75.800000118.7
366D32.4Very low32.7Very low143 Ų143138.7 Ų138.777%0.76576%0.764SS**  trans-166.1133.7149.8-98.2-36000107.2
367T32.8Very low32.3Very low112 Ų112138.5 Ų138.569%0.68776%0.759SS**  cis70.2131.226.2950000112.9
368M31.1Very low32Very low167 Ų167139.7 Ų139.782%0.82376%0.756SS**  cis-157.9178.237.7-102.1-159177.200113
369V33.4Very low31.6Very low115 Ų115136.9 Ų136.970%0.69776%0.755SS**  trans58.6116.5152.2167.40000116.8
370K31.4Very low31.4Very low174 Ų174138.7 Ų138.776%0.75776%0.757SS**  cis69.483.423.9-156.4-154.4177-162.70116.1E372K370-E372 IonicContact NZ-OE1 3.56Å
371Q32.1Very low31Very low174 Ų174136.8 Ų136.881%0.81376%0.757SS**  trans-140.1150.5156.6-155.9159-3.300111
372E29.3Very low31.1Very low147 Ų147136.2 Ų136.269%0.68775%0.753SS**  trans-109.8128.8-166.8-64.5158.7179.300110.1K370K370-E372 IonicContact NZ-OE1 3.56Å
373H33.6Very low31Very low183 Ų183138.5 Ų138.585%0.84776%0.758SS**  trans-143.4108.1163.3-87-74.3000111.1
374M26.9Very low30.7Very low179 Ų179140.9 Ų140.988%0.88277%0.766SS**  trans-80.9134.5154.9-69.2163.749.300108.3
375C28.5Very low30.7Very low110 Ų110138.6 Ų138.674%0.74377%0.767SS**  trans179.4146.4143-103.20000111.3
376F28.6Very low30.6Very low176 Ų176142.3 Ų142.377%0.77278%0.776SS**  trans51.3120.2146.2-77.4-109.1000119.4
377T26.4Very low30.7Very low105 Ų105142.9 Ų142.964%0.64478%0.778SS**  53.9126103.981.40000113.4
378D32Very low30.4Very low140 Ų140144 Ų14475%0.74978%0.779SS**  -154.216068-76.3-27.2000113.9
379T24.9Very low30.6Very low141 Ų141141.7 Ų141.787%0.86578%0.775SS**  trans-89.1115164.849.20000110
380V32.5Very low30.5Very low124 Ų124141.9 Ų141.975%0.75278%0.777SS**  trans-115113.6168.6-176.90000109.2V382V380-V382 HydrophobicContact CG1-CG2 4.13Å
381T26.7Very low30.6Very low132 Ų132142.5 Ų142.581%0.8178%0.782SS**  trans-84.9133.8170.148.20000110
382V35.7Very low30.8Very low119 Ų119143 Ų14372%0.72178%0.781SS**  trans-13697.7165.4-168.50000110.1V380V380-V382 HydrophobicContact CG1-CG2 4.13Å
383D32.5Very low30.7Very low148 Ų148141 Ų14179%0.79178%0.784SS**  trans41.8115.8146.5-51.5-37.7000121.9
384D28.1Very low30.7Very low170 Ų170138.9 Ų138.991%0.90978%0.783SS**  trans-65.6129.9156.5-81.1-63.1000111.6
385G33.4Very low30.9Very low76 Ų76137.2 Ų137.278%0.78478%0.776SS**  trans-124.165.1-179.100000113.7I387G385-I387 PolarHBondContact O-N 2.81Å
386L31.1Very low31.1Very low154 Ų154139.5 Ų139.581%0.80678%0.781SS**  trans-71.6119.5-171-157.889.4000113.6
387I33.1Very low31.5Very low155 Ų155136.5 Ų136.580%0.79577%0.773SS**  trans-129.6117.7160.1-52.4-179.7000108.8G385G385-I387 PolarHBondContact O-N 2.81Å
388N28Very low32.4Very low135 Ų135136.7 Ų136.772%0.72278%0.776SS**  trans-131.6103.3-171.6-154.3-4.6000110
389T35.6Very low33Very low119 Ų119136.2 Ų136.273%0.7378%0.781SS**  trans-128.873.3-175.845.40000113
390T30.6Very low33.4Very low119 Ų119137.3 Ų137.373%0.7378%0.776SS**  trans30.4103.1136.557.50000119.3
391H33.2Very low33.4Very low186 Ų186136.2 Ų136.286%0.86177%0.773SS**  trans-148.393.2142.4-117-95000109.3
392K35.3Very low33.9Very low184 Ų184133.9 Ų133.980%0.877%0.767SS**  63.994.499.2-113.1-177.1-178.8179.50115.7
393S28.8Very low34.1Very low107 Ų107133.2 Ų133.275%0.74877%0.765SS**  trans49.3106.1140.260.60000120.8
394V33.1Very low34.2Very low138 Ų138133.8 Ų133.884%0.83677%0.768SS**  trans-139.8151.1132.3-177.80000108.9
395I30.6Very low34.5Very low143 Ų143131 Ų13173%0.73376%0.757SS**  trans-60.2146.9174.4-60.6148.1000110.9
396N34Very low34.4Very low158 Ų158133.4 Ų133.485%0.84576%0.757SS**  trans-144.2136.2160.2-90.8-59.2000112
397N36.6Very low34.4Very low113 Ų113131.5 Ų131.560%0.60475%0.752SS**  trans-79.5167.5176.5-74.5-30.9000111.4
398P44.9Very low34.4Very low110 Ų110129.4 Ų129.471%0.71475%0.746SS**SBendtrans-55.2148.5157.227.5-36.1000109.9E400P398-E400 PolarHBondContact O-N 3.16Å
399P44.8Very low34.6Very low129 Ų129128.2 Ų128.284%0.83874%0.744SS**  trans-62.9113.1-169.124.3-34.3000111.9C401P399-C401 PolarHBondContact O-N 2.83Å
400E32.9Very low34.6Very low164 Ų164131.1 Ų131.177%0.76675%0.749SS**  trans-67.9125.7168.1-74.3-178.694.800109.4P398 A402P398-E400 PolarHBondContact O-N 3.16Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.19Å
401C33.3Very low34.6Very low102 Ų102132.4 Ų132.469%0.68975%0.751SS**  trans-6892.9163.2-60.40000107.9P399P399-C401 PolarHBondContact O-N 2.83Å
402A35.5Very low34.7Very low82 Ų82130.6 Ų130.668%0.67875%0.748SS**  trans-55.1135.9174.600000110.6E400 D404E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.19Å; A402-D404 PolarHBondContact O-N 3.3Å
403P40.2Very low34.8Very low106 Ų106128.5 Ų128.569%0.68875%0.75SS**  trans-90101176.134.1-30.8000110.3T405P403-T405 HydrophobicContact CB-CG2 4.33Å; P403-T405 PolarHBondContact O-N 3.2Å
404D34.4Very low35.1Very low160 Ų160126.7 Ų126.786%0.85675%0.749SS**  trans-70.483.1166.5-79.5-36.7000110A402 T406A402-D404 PolarHBondContact O-N 3.3Å; D404-T406 PolarHBondContact O-N 2.96Å; D404-T406 VanDerWaalsContact O-N 3.14Å
405T34.7Very low34.8Very low111 Ų111127.8 Ų127.868%0.68175%0.75SS**  trans-82.878.1174.352.30000110.8P403 V407P403-T405 HydrophobicContact CB-CG2 4.33Å; P403-T405 PolarHBondContact O-N 3.2Å; T405-V407 PolarHBondContact O-N 2.77Å
406T31.6Very low34.8Very low127 Ų127125.5 Ų125.578%0.77975%0.747SS**  trans-72.679.7158.8550000109.1D404 V408D404-T406 PolarHBondContact O-N 2.96Å; D404-T406 VanDerWaalsContact O-N 3.14Å; T406-V408 PolarHBondContact O-N 2.75Å; T406-V408 VanDerWaalsContact O-N 3.15Å
407V31.1Very low34.7Very low114 Ų114125 Ų12569%0.69174%0.739SS**  trans-73101.1167.4-178.90000107.3T405 T409T405-V407 PolarHBondContact O-N 2.77Å; V407-T409 HydrophobicContact CG1-CG2 4.2Å; V407-T409 PolarHBondContact O-N 2.81Å
408V33.1Very low34.3Very low111 Ų111129 Ų12967%0.67375%0.747SS**  trans-86.1102.9168.6178.10000107.8T406 E410T406-V408 PolarHBondContact O-N 2.75Å; T406-V408 VanDerWaalsContact O-N 3.15Å; V408-E410 HydrophobicContact CG1-CG 3.95Å
409T32Very low33.8Very low110 Ų110130.7 Ų130.768%0.67575%0.75SS**  trans-86.4115.1161.246.90000108.5V407V407-T409 HydrophobicContact CG1-CG2 4.2Å; V407-T409 PolarHBondContact O-N 2.81Å
410E35.3Very low33Very low179 Ų179128.8 Ų128.884%0.83674%0.739SS**  trans-108.379165.1-78.5-177.8-175.600109.2V408V408-E410 HydrophobicContact CG1-CG 3.95Å
411D32.2Very low33.1Very low146 Ų146130 Ų13078%0.78174%0.742SS**  trans-83.7108.7148.2-71.1-57.5000106.7
412D34.9Very low33.2Very low149 Ų149130.7 Ų130.780%0.79775%0.748SS**  179.6140.6129.6-102-27.3000114.6
413V37.2Very low33Very low139 Ų139132.2 Ų132.284%0.84275%0.749SS**  trans30121141.9-174.40000119.8
414G34.1Very low32.7Very low70 Ų70134.4 Ų134.472%0.72275%0.754SS**  trans161.8101.715000000116.8
415N28.1Very low32.8Very low161 Ų161136.2 Ų136.286%0.86175%0.754SS**  trans-74.3166.5159.5-78-18.8000110.8
416S30Very low32.8Very low95 Ų95133.9 Ų133.966%0.66475%0.752SS**  trans72.9148.9160.3-72.40000117.8
417E31.8Very low33Very low148 Ų148134.8 Ų134.869%0.69276%0.758SS**  cis-159.3137-15.5-117.1165.7120.400111.1
418Y29.1Very low33.1Very low196 Ų196132.3 Ų132.377%0.76976%0.755SS**  trans71160.7139.6-87.2-136.2000123
419L32.6Very low33.3Very low146 Ų146131 Ų13176%0.76475%0.747SS**  trans55.3100.3155.3-66.7161.1000118.5
420S29.3Very low33.3Very low88 Ų88128.9 Ų128.962%0.61574%0.737SS**  88.5123.256.2-75.30000116.8
421K35.3Very low33.5Very low190 Ų190127 Ų12783%0.82672%0.723SS**  trans56.9112.1137.7-57.2167.1-174169.50118.5
422S34.5Very low33.6Very low116 Ų116130.7 Ų130.781%0.81173%0.725SS**  169.9165.311147.20000112
423T31.8Very low33.6Very low115 Ų115135.2 Ų135.271%0.70673%0.731SS**  cis-168162.1-33.9-79.50000106.3
424L34.4Very low33.5Very low152 Ų152138 Ų13880%0.79673%0.732SS**  trans75.1154.1177.7-61.8114.7000116.5
425K35.7Very low33.4Very low198 Ų198139.6 Ų139.686%0.86173%0.732SS**  cis-173.4147.2-44.8-120177.1177.6-178.80108.5
426G33.9Very low34Very low62 Ų62137.9 Ų137.964%0.63973%0.728SS**  trans114.985.5170.800000113.5
427T36.2Very low34.4Very low145 Ų145137.9 Ų137.989%0.8972%0.724SS**  67.498.981.466.10000114.8
428G33.6Very low34.4Very low62 Ų62142.9 Ų142.964%0.63974%0.736SS**  trans152.456.1177.700000116.8
429V37.8Very low34.7Very low84 Ų84139.3 Ų139.351%0.50973%0.73SS.*  89.7146.763.1171.50000111.8A63 D65A63-V429 HydrophobicContact CB-CG1 4.32Å; A63-V429 WeakPolarHBondContact O-CG1 3.14Å; D65-V429 CarbonylContact C-O 3.56Å; D65-V429 WeakPolarHBondContact CA-O 3.41Å; D65-V429 VanDerWaalsContact N-C 3.33Å; D65-V429 PolarHBondContact N-O 2.89Å
430S32.6Very low34.9Very low66 Ų66141.9 Ų141.946%0.46274%0.736SS.*  trans-48.9-126.6-153.4-159.60000122.7A63 D65 F66A63-S430 WeakPolarHBondContact O-CB 2.98Å; A63-S430 PolarHBondContact O-N 3.13Å; D65-S430 VanDerWaalsContact CA-O 3.31Å; D65-S430 WeakPolarHBondContact CA-O 3.27Å; D65-S430 PolarHBondContact N-O 3.14Å; F66-S430 WeakPolarHBondContact CD2-O 3.3Å
431R37.5Very low35.1Very low140 Ų140142 Ų14253%0.52874%0.737SS.*  cis-90.3169.7-3.9-90.3-171.1168.3109.211.5118.9D64 D65D64-R431 HydrophobicContact CB-CB 4.21Å; D64-R431 HydrophobicContact CB-CG 3.1Å; D64-R431 VanDerWaalsContact CG-CG 3.5Å; D64-R431 IonicContact OD2-CZ 3.58Å; D64-R431 IonicContact OD2-NE 3.37Å; D64-R431 PolarHBondContact OD2-NE 3.16Å; D64-R431 IonicContact OD2-NH2 2.6Å; D64-R431 PolarHBondContact OD2-NH2 3.49Å; D65-R431 VanDerWaalsContact CG-CG 3.49Å; D65-R431 WeakPolarHBondContact OD1-CB 3.19Å; D65-R431 WeakPolarHBondContact OD1-CG 3.3Å; D65-R431 PolarHBondContact OD1-N 3.43Å; D65-R431 VanDerWaalsContact OD2-CD 3.25Å; D65-R431 WeakPolarHBondContact OD2-CD 3.25Å; D65-R431 IonicContact OD2-CZ 3.84Å; D65-R431 IonicContact OD2-NE 2.69Å; D65-R431 IonicContact OD2-NH1 2.76Å; D65-R431 PolarHBondContact OD2-NH1 3.42Å
432R36Very low34.9Very low223 Ų223144 Ų14484%0.84274%0.739SS**  trans-55.8142.9158.6-76.6174.3162.9179.2-3.5115.1
433R33.8Very low34.9Very low243 Ų243145.7 Ų145.792%0.91774%0.737SS**  -135.2107128.2-79.1-167176178-0.4111.6
434K34.6Very low34.9Very low198 Ų198146 Ų14686%0.86174%0.739SS**  trans-101.6156.4150.1-93.1-175175.31790107.6
435S32.4Very low35Very low104 Ų104150 Ų15073%0.72774%0.743SS**  trans66.8155.6-152.391.60000111.1
436T40.6Very low34.9Very low125 Ų125143 Ų14377%0.76773%0.727SS**  cis-97160.425.8550000116
437T39.5Very low34.9Very low94 Ų94147.7 Ų147.758%0.57773%0.732SS**  trans-39.5152153.246.20000112.6N439T437-N439 PolarHBondContact O-N 2.97Å
438R32Very low34.7Very low253 Ų253151.2 Ų151.296%0.95573%0.731SS**  trans-7460.2160.4-165178-170.9169.95.2109.4K440R438-K440 PolarHBondContact O-N 3.39Å; R438-K440 VanDerWaalsContact O-N 3.16Å
439N34Very low34.8Very low121 Ų121151.7 Ų151.765%0.64774%0.736SS**  trans-61.2117.6-179.7-122.54.2000108T437 S441T437-N439 PolarHBondContact O-N 2.97Å; N439-S441 PolarHBondContact O-N 3.3Å
440K36.8Very low34.7Very low201 Ų201154.7 Ų154.787%0.87475%0.754SS**  trans-75.361.3167.1-71.5-178.5177.3177.70109.1R438 R442R438-K440 PolarHBondContact O-N 3.39Å; R438-K440 VanDerWaalsContact O-N 3.16Å; K440-R442 PolarHBondContact O-N 3.06Å
441S35.3Very low34.7Very low91 Ų91159.7 Ų159.764%0.63677%0.77SS**  trans-60.6106162.3-64.70000106.8N439 I443N439-S441 PolarHBondContact O-N 3.3Å; S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.79Å
442R30.4Very low34.8Very low230 Ų230158.9 Ų158.987%0.86879%0.786SS**  trans-61.397.2165.8-72.1172.9170.2149.7-8.7107.3K440 V444K440-R442 PolarHBondContact O-N 3.06Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 HydrophobicContact CB-CG2 4.32Å; R442-V444 PolarHBondContact O-N 3.23Å
443I34.2Very low34.8Very low153 Ų153156 Ų15679%0.78578%0.782SS**  trans-75.4103.9144.2-64.3179.3000104.3S441 R445S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.79Å; I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 2.99Å
444V32Very low34.9Very low122 Ų122151.7 Ų151.774%0.73978%0.776SS**  trans-68.494.9165.8177.70000105.6R442 G446R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 HydrophobicContact CB-CG2 4.32Å; R442-V444 PolarHBondContact O-N 3.23Å; V444-G446 VanDerWaalsContact C-N 3.34Å; V444-G446 PolarHBondContact O-N 3.22Å
445R35.7Very low35Very low235 Ų235149 Ų14989%0.88777%0.766SS**  trans-82.690.4168.9-157174.6-162.9-178.93.8107I443 E447I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 2.99Å; R445-E447 PolarHBondContact O-N 3.17Å
446G34.2Very low35.6Very low51 Ų51151.3 Ų151.353%0.52677%0.768SS.*  trans-59.1125.3171.700000110.2V444V444-G446 VanDerWaalsContact C-N 3.34Å; V444-G446 PolarHBondContact O-N 3.22Å
447E34.4Very low35.8Very low160 Ų160152.5 Ų152.575%0.74877%0.765SS**SBend34.1109.4108.8-79.3173.4-168.900117.5R445R445-E447 PolarHBondContact O-N 3.17Å
448Y31.9Very low35.9Very low220 Ų220151.9 Ų151.986%0.86377%0.77SS**  trans73.1149.4157.4-43.8-66000119.3
449G35.2Very low36.1Very low72 Ų72144 Ų14474%0.74277%0.767SS**  trans140.551167.200000119.7
450V35.2Very low36.6Very low147 Ų147146 Ų14689%0.89178%0.776SS**  trans34150.5145.8-169.10000122.2
451H32.5Very low36.9Very low170 Ų170142.8 Ų142.879%0.78777%0.773SS**  trans-55.5155.7175.6-77.4-148.2000115.8
452S40.3Very low37Very low123 Ų123143.7 Ų143.786%0.8678%0.78SS**  trans-137.3155.1134.2520000108.6
453E35.2Very low37.6Very low162 Ų162137.6 Ų137.676%0.75777%0.772SS**  trans-122136.2-157.3-174.1157.9-143.700111.2
454I37.3Very low38.2Very low154 Ų154138 Ų13879%0.7977%0.774SS**  trans-137.9107.6170.5-59.7-178.4000107.3
455E36.8Very low38.7Very low141 Ų141137.6 Ų137.666%0.65977%0.774SS**  trans-67.2135172.4-67.1179.794.400111.3Q457E455-Q457 PolarHBondContact OE1-NE2 3.09Å
456I44.1Very low39.1Very low152 Ų152134.7 Ų134.778%0.77977%0.771SS**  trans-13792158.8-58-178.8000107.2A458I456-A458 PolarHBondContact O-N 3.37Å
457Q45Very low39.3Very low151 Ų151143.9 Ų143.971%0.70679%0.789SS**  trans-64.6100174.8-84.576.8-4.400111.5E455E455-Q457 PolarHBondContact OE1-NE2 3.09Å
458A41.6Very low40.2Very low81 Ų81143.4 Ų143.467%0.66979%0.791SS**  trans-151.4125.4150.600000108.5I456 I460I456-A458 PolarHBondContact O-N 3.37Å; A458-I460 PolarHBondContact O-N 2.95Å
459G36.6Very low41.3Very low86 Ų86136.4 Ų136.489%0.88777%0.774SS**  trans-71.2120.7-167.600000114
460I44.8Very low42.7Very low163 Ų163141.1 Ų141.184%0.83678%0.776SS**  trans-129.6105.1159.3-54.1179.5000107.9A458A458-I460 PolarHBondContact O-N 2.95Å
461T42.3Very low44.8Very low135 Ų135138.9 Ų138.983%0.82876%0.755SS**  trans-87.7162.816748.20000110.4
462S38.4Very low47.3Very low110 Ų110135.5 Ų135.577%0.76975%0.748SS**  trans76.8165.4176.8-154.60000117.1
463S42.9Very low49.6Very low101 Ų101132.4 Ų132.471%0.70672%0.72SS**  trans65.763.7167.9-55.80000117.6P465S463-P465 VanDerWaalsContact O-CD 3.27Å; S463-P465 WeakPolarHBondContact O-CD 3.28Å
464I45.8Very low52.1Low162 Ų162129.3 Ų129.383%0.83170%0.703SS**  trans-60.5120.9140.8-62.8174.9000106.2E466I464-E466 PolarHBondContact O-N 2.86Å
465P43Very low54.8Low113 Ų113122.1 Ų122.173%0.73467%0.667SS**  trans-70.7102.8179.2-17.832.6000109.6S463 R467S463-P465 VanDerWaalsContact O-CD 3.27Å; S463-P465 WeakPolarHBondContact O-CD 3.28Å; P465-R467 PolarHBondContact O-N 3.3Å
466E42.9Very low57.2Low174 Ų174121.8 Ų121.881%0.81368%0.675SS**  trans-53.3126.9160.2-71.8-155.7131.500107.6I464 I468I464-E466 PolarHBondContact O-N 2.86Å; E466-I468 VanDerWaalsContact C-N 3.25Å; E466-I468 PolarHBondContact O-N 3.39Å
467R38.6Very low59.4Low245 Ų245118.4 Ų118.493%0.92566%0.664SS**  trans-71.192.2173.4-71.1-172.2-179.4-158.5-0.3107.8P465 S469P465-R467 PolarHBondContact O-N 3.3Å; R467-S469 PolarHBondContact O-N 3.22Å
468I53.1Low61.6Low150 Ų150113.4 Ų113.477%0.76965%0.646SS**  trans-59.886161.9-57.1178.2000106.5E466 E470E466-I468 VanDerWaalsContact C-N 3.25Å; E466-I468 PolarHBondContact O-N 3.39Å; I468-E470 PolarHBondContact O-N 3.02Å
469S56.7Low63.8Low73 Ų73114.5 Ų114.551%0.5164%0.64SS.*  trans-65.2104.7163175.90000105.1R467 K471R467-S469 PolarHBondContact O-N 3.22Å; S469-K471 WeakPolarHBondContact O-CG 3.37Å; S469-K471 PolarHBondContact O-N 3.3Å
470E64.6Low66.3Low171 Ų171116.1 Ų116.180%0.79962%0.623SS**  trans-52112.4171.1-69.9169.6-159.900108.5I468I468-E470 PolarHBondContact O-N 3.02Å
471K78.8Confident68.6Low100 Ų100110.7 Ų110.744%0.43560%0.599SS.*  trans-125.374.7-179.8-75.5-175.9-163.7174.90107.3S469 H473 C481 F482S469-K471 WeakPolarHBondContact O-CG 3.37Å; S469-K471 PolarHBondContact O-N 3.3Å; K471-H473 PolarHBondContact O-N 3.09Å; K471-C481 HydrophobicContact CB-CB 3.7Å; K471-C481 HydrophobicContact CD-CB 4.29Å; K471-C481 VanDerWaalsContact CD-O 3.31Å; K471-C481 WeakPolarHBondContact CD-O 3.49Å; K471-F482 CarbonylContact C-O 3.58Å; K471-F482 VanDerWaalsContact CA-O 3.26Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å; K471-F482 WeakPolarHBondContact CB-O 3.4Å
472P84.5Confident70.9Confident98 Ų98106.2 Ų106.264%0.63657%0.568SS**  trans-64.9-14.4-167.524.1-33.2000113.7K474P472-K474 PolarHBondContact O-N 3.43Å
473H87.7Confident73.5Confident59 Ų59104 Ų10427%0.27355%0.553SS.*EExtended strand (participates in β ladder)trans-98.583.5-175.2-57.7-66.4000111.3K471 F482 R484 S485 L488K471-H473 PolarHBondContact O-N 3.09Å; H473-F482 HydrophobicContact CB-CB 4.32Å; H473-F482 PolarHBondContact N-O 3.25Å; H473-F482 PolarHBondContact O-N 3.18Å; H473-R484 VanDerWaalsContact CD2-CA 3.49Å; H473-R484 WeakPolarHBondContact CD2-CA 3.37Å; H473-S485 PolarHBondContact CD2-N 3.41Å; H473-S485 PolarHBondContact NE2-N 3.13Å; H473-L488 HydrophobicContact CB-CB 3.77Å; H473-L488 HydrophobicContact CB-CD2 3.75Å; H473-L488 HydrophobicContact CB-CG 4.37Å
474K88.9Confident75.7Confident96 Ų96106 Ų10642%0.41755%0.545SS..EExtended strand (participates in β ladder)trans-79.3134.1175.3-176.5177.2176.6-173.40111.7P472 N479P472-K474 PolarHBondContact O-N 3.43Å; K474-N479 WeakPolarHBondContact CE-OD1 3.43Å; K474-N479 PolarHBondContact NZ-OD1 3.48Å
475C93.1Very high77.9Confident4 Ų4101.6 Ų101.63%0.02753%0.529CS..  trans-81.5124171-175.90000111.3S477 N479 K480 F482 L488 H491 H495C475-S477 PolarHBondContact O-N 3.13Å; C475-N479 WeakPolarHBondContact O-CA 3.43Å; C475-N479 PolarHBondContact O-N 3.23Å; C475-K480 WeakPolarHBondContact CB-O 3.48Å; C475-K480 PolarHBondContact N-O 2.88Å; C475-F482 HydrophobicContact CB-CE2 4.32Å; C475-L488 HydrophobicContact CB-CD1 3.59Å; C475-H491 VanDerWaalsContact SG-CD2 3.6Å; C475-H495 VanDerWaalsContact SG-CD2 3.56Å; C475-H495 PolarHBondContact SG-NE2 3.47Å; C475-H495 VanDerWaalsContact SG-NE2 3.38Å
476T88.5Confident80.1Confident134 Ų13499.5 Ų99.582%0.82251%0.511SS*.THydrogen-bonded Turntrans-63.6-38.1177.9480000113C478T476-C478 PolarHBondContact O-N 3.19Å
477S89Confident82.5Confident80 Ų8093.3 Ų93.356%0.55948%0.482SS*.THydrogen-bonded Turntrans-76.1-17.2-175-47.10000115.1C475C475-S477 PolarHBondContact O-N 3.13Å
478C91.6Very high85Confident46 Ų4683.3 Ų83.331%0.31145%0.447SS..THydrogen-bonded Turntrans-151.410.1-175.672.90000115.4T476 K480 H491 H495T476-C478 PolarHBondContact O-N 3.19Å; C478-K480 PolarHBondContact O-N 2.87Å; C478-H491 PolarHBondContact SG-NE2 3.3Å; C478-H495 PolarHBondContact SG-NE2 2.85Å
479N88.8Confident86.8Confident104 Ų10480 Ų8056%0.55643%0.433SS*.  trans57.65.6-179.5-64.6-55.8000116.9K474 C475 C481K474-N479 WeakPolarHBondContact CE-OD1 3.43Å; K474-N479 PolarHBondContact NZ-OD1 3.48Å; C475-N479 WeakPolarHBondContact O-CA 3.43Å; C475-N479 PolarHBondContact O-N 3.23Å; N479-C481 PolarHBondContact O-N 3.12Å
480K88.9Confident88.5Confident120 Ų12080.8 Ų80.852%0.52243%0.425SS..  trans-66.4126.2174.9-69.5-172.8178.6-169.40111C475 C478 F482C475-K480 WeakPolarHBondContact CB-O 3.48Å; C475-K480 PolarHBondContact N-O 2.88Å; C478-K480 PolarHBondContact O-N 2.87Å; K480-F482 HydrophobicContact CB-CE2 3.82Å; K480-F482 HydrophobicContact CB-CZ 3.99Å; K480-F482 WeakPolarHBondContact O-CD2 3.21Å; K480-F482 VanDerWaalsContact O-CE2 3.31Å; K480-F482 WeakPolarHBondContact O-CE2 3.2Å
481C91.6Very high89.8Confident49 Ų4973.7 Ų73.733%0.33139%0.392SS..EExtended strand (participates in β ladder)trans-96.9140.3177.9-56.90000112K471 N479K471-C481 HydrophobicContact CB-CB 3.7Å; K471-C481 HydrophobicContact CD-CB 4.29Å; K471-C481 VanDerWaalsContact CD-O 3.31Å; K471-C481 WeakPolarHBondContact CD-O 3.49Å; N479-C481 PolarHBondContact O-N 3.12Å
482F92.2Very high90.3Very high41 Ų4170.6 Ų70.618%0.1839%0.385CS..EExtended strand (participates in β ladder)trans-122.7149.8-177.7-62.1-86.6000111.8K471 H473 C475 K480 R484 E487 L488 H491K471-F482 CarbonylContact C-O 3.58Å; K471-F482 VanDerWaalsContact CA-O 3.26Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å; K471-F482 WeakPolarHBondContact CB-O 3.4Å; H473-F482 HydrophobicContact CB-CB 4.32Å; H473-F482 PolarHBondContact N-O 3.25Å; H473-F482 PolarHBondContact O-N 3.18Å; C475-F482 HydrophobicContact CB-CE2 4.32Å; K480-F482 HydrophobicContact CB-CE2 3.82Å; K480-F482 HydrophobicContact CB-CZ 3.99Å; K480-F482 WeakPolarHBondContact O-CD2 3.21Å; K480-F482 VanDerWaalsContact O-CE2 3.31Å; K480-F482 WeakPolarHBondContact O-CE2 3.2Å; F482-R484 VanDerWaalsContact C-N 3.32Å; F482-E487 HydrophobicContact CB-CB 3.93Å; F482-E487 HydrophobicContact CD1-CB 3.94Å; F482-E487 HydrophobicContact CG-CB 4.2Å; F482-L488 HydrophobicContact CB-CB 4.32Å; F482-L488 HydrophobicContact CD2-CB 4.06Å; F482-L488 HydrophobicContact CD2-CD1 3.98Å; F482-L488 HydrophobicContact CE2-CD1 4.27Å; F482-L488 HydrophobicContact CG-CB 4.4Å; F482-H491 HydrophobicContact CE1-CB 4.06Å; F482-H491 HydrophobicContact CE2-CB 3.81Å; F482-H491 AromaticContact CE2-CD2 3.4Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.47Å; F482-H491 AromaticContact CE2-CG 3.57Å; F482-H491 HydrophobicContact CZ-CB 3.52Å; F482-H491 AromaticContact CZ-CD2 3.54Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.72Å
483S91.7Very high90.7Very high65 Ų6569.4 Ų69.446%0.45537%0.368SS..SBendtrans-72.8-22.8-179.9220000113.4E487S483-E487 WeakPolarHBondContact CB-OE2 3.45Å; S483-E487 PolarHBondContact N-OE2 3.25Å; S483-E487 PolarHBondContact OG-OE2 3.01Å
484R90Very high90.8Very high142 Ų14272.2 Ų72.254%0.53638%0.384SS..SBendtrans-138.8153.7-176.7-59.3158.749.3115.9-5.9111.9H473 F482 D486 E487 L488H473-R484 VanDerWaalsContact CD2-CA 3.49Å; H473-R484 WeakPolarHBondContact CD2-CA 3.37Å; F482-R484 VanDerWaalsContact C-N 3.32Å; R484-D486 WeakPolarHBondContact CB-OD1 3.37Å; R484-D486 IonicContact CZ-OD1 3.91Å; R484-D486 IonicContact CZ-OD2 3.9Å; R484-D486 IonicContact NE-OD1 3.74Å; R484-D486 PolarHBondContact NE-OD1 2.96Å; R484-D486 IonicContact NE-OD2 2.84Å; R484-D486 VanDerWaalsContact NH2-CG 3.27Å; R484-D486 IonicContact NH2-OD1 2.75Å; R484-D486 PolarHBondContact NH2-OD1 3.3Å; R484-D486 IonicContact NH2-OD2 3.2Å; R484-D486 PolarHBondContact NH2-OD2 3.31Å; R484-D486 PolarHBondContact O-N 3Å; R484-E487 HydrophobicContact CB-CB 4.43Å; R484-E487 HydrophobicContact CB-CG 4.04Å; R484-E487 PolarHBondContact N-OE2 3.05Å; R484-E487 VanDerWaalsContact N-OE2 3.07Å; R484-E487 WeakPolarHBondContact O-CB 3.38Å; R484-E487 PolarHBondContact O-N 2.79Å; R484-L488 PolarHBondContact O-N 3.11Å
485S91.3Very high90.9Very high70 Ų7071.4 Ų71.449%0.4938%0.381SS..Hα-helixtrans-65.2-37.6179.153.10000112.6H473 E487 L488 T489H473-S485 PolarHBondContact CD2-N 3.41Å; H473-S485 PolarHBondContact NE2-N 3.13Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.18Å; S485-L488 PolarHBondContact O-N 3.44Å; S485-T489 PolarHBondContact O-N 3.33Å; S485-T489 PolarHBondContact O-OG1 3.46Å; S485-T489 VanDerWaalsContact O-OG1 3.06Å
486D90.3Very high90.8Very high69 Ų6976.2 Ų76.237%0.36941%0.411SS..Hα-helixtrans-67.9-30.617768.5-43.1000112.9R484 R490R484-D486 WeakPolarHBondContact CB-OD1 3.37Å; R484-D486 IonicContact CZ-OD1 3.91Å; R484-D486 IonicContact CZ-OD2 3.9Å; R484-D486 IonicContact NE-OD1 3.74Å; R484-D486 PolarHBondContact NE-OD1 2.96Å; R484-D486 IonicContact NE-OD2 2.84Å; R484-D486 VanDerWaalsContact NH2-CG 3.27Å; R484-D486 IonicContact NH2-OD1 2.75Å; R484-D486 PolarHBondContact NH2-OD1 3.3Å; R484-D486 IonicContact NH2-OD2 3.2Å; R484-D486 PolarHBondContact NH2-OD2 3.31Å; R484-D486 PolarHBondContact O-N 3Å; D486-R490 WeakPolarHBondContact O-CB 3.48Å; D486-R490 PolarHBondContact O-N 3.2Å
487E91.8Very high90.8Very high44 Ų4472 Ų7221%0.20639%0.394CS..Hα-helixtrans-66-45170.9-65.7175.8148.700111.2F482 S483 R484 S485 R490 H491F482-E487 HydrophobicContact CB-CB 3.93Å; F482-E487 HydrophobicContact CD1-CB 3.94Å; F482-E487 HydrophobicContact CG-CB 4.2Å; S483-E487 WeakPolarHBondContact CB-OE2 3.45Å; S483-E487 PolarHBondContact N-OE2 3.25Å; S483-E487 PolarHBondContact OG-OE2 3.01Å; R484-E487 HydrophobicContact CB-CB 4.43Å; R484-E487 HydrophobicContact CB-CG 4.04Å; R484-E487 PolarHBondContact N-OE2 3.05Å; R484-E487 VanDerWaalsContact N-OE2 3.07Å; R484-E487 WeakPolarHBondContact O-CB 3.38Å; R484-E487 PolarHBondContact O-N 2.79Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.18Å; E487-R490 PolarHBondContact O-N 3.03Å; E487-H491 WeakPolarHBondContact O-CB 3.5Å; E487-H491 PolarHBondContact O-N 2.77Å
488L92.8Very high90.8Very high35 Ų3570.1 Ų70.118%0.18338%0.384CS..Hα-helixtrans-63.8-47173.8172.161.5000111.8H473 C475 F482 R484 S485 R490 H491 A492H473-L488 HydrophobicContact CB-CB 3.77Å; H473-L488 HydrophobicContact CB-CD2 3.75Å; H473-L488 HydrophobicContact CB-CG 4.37Å; C475-L488 HydrophobicContact CB-CD1 3.59Å; F482-L488 HydrophobicContact CB-CB 4.32Å; F482-L488 HydrophobicContact CD2-CB 4.06Å; F482-L488 HydrophobicContact CD2-CD1 3.98Å; F482-L488 HydrophobicContact CE2-CD1 4.27Å; F482-L488 HydrophobicContact CG-CB 4.4Å; R484-L488 PolarHBondContact O-N 3.11Å; S485-L488 PolarHBondContact O-N 3.44Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.25Å; L488-H491 CarbonylContact O-C 3.6Å; L488-H491 WeakPolarHBondContact O-CA 3.2Å; L488-H491 WeakPolarHBondContact O-CB 3.3Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-H491 VanDerWaalsContact O-N 3.09Å; L488-A492 WeakPolarHBondContact O-CB 3.44Å; L488-A492 PolarHBondContact O-N 3.39Å
489T90.9Very high90.8Very high79 Ų7972.9 Ų72.949%0.48539%0.39SS..Hα-helixtrans-61.7-39.2178.3-60.40000111.5S485 A492S485-T489 PolarHBondContact O-N 3.33Å; S485-T489 PolarHBondContact O-OG1 3.46Å; S485-T489 VanDerWaalsContact O-OG1 3.06Å; T489-A492 PolarHBondContact O-N 3.05Å
490R91.2Very high90.9Very high91 Ų9171.6 Ų71.634%0.34339%0.387SS..Hα-helixtrans-66.1-37.5173.5-173-179.974.3-149.3-0.1111.8D486 E487 L488 R512D486-R490 WeakPolarHBondContact O-CB 3.48Å; D486-R490 PolarHBondContact O-N 3.2Å; E487-R490 PolarHBondContact O-N 3.03Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.25Å; R490-R512 HydrophobicContact CG-CG 3.97Å
491H91.8Very high91.1Very high22 Ų2268.9 Ų68.910%0.10238%0.376CS..Hα-helixtrans-69.9-39175.317665.4000112.7C475 C478 F482 E487 L488 R493 I494 H495C475-H491 VanDerWaalsContact SG-CD2 3.6Å; C478-H491 PolarHBondContact SG-NE2 3.3Å; F482-H491 HydrophobicContact CE1-CB 4.06Å; F482-H491 HydrophobicContact CE2-CB 3.81Å; F482-H491 AromaticContact CE2-CD2 3.4Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.47Å; F482-H491 AromaticContact CE2-CG 3.57Å; F482-H491 HydrophobicContact CZ-CB 3.52Å; F482-H491 AromaticContact CZ-CD2 3.54Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.72Å; E487-H491 WeakPolarHBondContact O-CB 3.5Å; E487-H491 PolarHBondContact O-N 2.77Å; L488-H491 CarbonylContact O-C 3.6Å; L488-H491 WeakPolarHBondContact O-CA 3.2Å; L488-H491 WeakPolarHBondContact O-CB 3.3Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-H491 VanDerWaalsContact O-N 3.09Å; H491-R493 PolarHBondContact O-N 2.88Å; H491-I494 VanDerWaalsContact O-CB 3.24Å; H491-I494 WeakPolarHBondContact O-CB 3.41Å; H491-I494 WeakPolarHBondContact O-CG1 3.45Å; H491-I494 PolarHBondContact O-N 3.15Å; H491-H495 AromaticContact CD2-NE2 3.75Å; H491-H495 AromaticContact CE1-NE2 3.62Å; H491-H495 AromaticContact NE2-CD2 3.89Å; H491-H495 AromaticContact NE2-CE1 3.9Å; H491-H495 AromaticContact NE2-NE2 3Å; H491-H495 PolarHBondContact NE2-NE2 3.35Å
492A90.2Very high91.1Very high35 Ų3572.2 Ų72.229%0.28939%0.385SS..Hα-helixtrans-59.4-29.7179.200000112.8L488 T489 I494 H495 T496L488-A492 WeakPolarHBondContact O-CB 3.44Å; L488-A492 PolarHBondContact O-N 3.39Å; T489-A492 PolarHBondContact O-N 3.05Å; A492-I494 PolarHBondContact O-N 3.48Å; A492-I494 VanDerWaalsContact O-N 3.16Å; A492-H495 PolarHBondContact O-N 3.37Å; A492-T496 PolarHBondContact O-N 3.04Å; A492-T496 PolarHBondContact O-OG1 3Å
493R91.9Very high91.3Very high73 Ų7370.3 Ų70.328%0.27538%0.376SS..Hα-helixtrans-60.4-19.2172.3-63.7177.1-170.5177.40.6114.2H491 T496 G497 A498 S511H491-R493 PolarHBondContact O-N 2.88Å; R493-T496 WeakPolarHBondContact CA-OG1 3.5Å; R493-G497 CarbonylContact O-C 3.08Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 3.41Å; R493-G497 VanDerWaalsContact O-N 3.12Å; R493-A498 HydrophobicContact CB-CB 4.42Å; R493-A498 HydrophobicContact CG-CB 4.28Å; R493-A498 PolarHBondContact O-N 3.37Å; R493-S511 WeakPolarHBondContact CD-O 3.43Å; R493-S511 PolarHBondContact NH1-O 3.45Å
494I91Very high91.3Very high117 Ų11771.1 Ų71.160%0.639%0.387SS*.Hα-helixtrans-73.3-38.5174-55.6177.5000110H491 A492H491-I494 VanDerWaalsContact O-CB 3.24Å; H491-I494 WeakPolarHBondContact O-CB 3.41Å; H491-I494 WeakPolarHBondContact O-CG1 3.45Å; H491-I494 PolarHBondContact O-N 3.15Å; A492-I494 PolarHBondContact O-N 3.48Å; A492-I494 VanDerWaalsContact O-N 3.16Å
495H90.8Very high91.3Very high80 Ų8070.1 Ų70.137%0.3739%0.388SS..Hα-helixtrans-78.7-38.1178.5-56.1-61.5000112.6C475 C478 H491 A492 G497C475-H495 VanDerWaalsContact SG-CD2 3.56Å; C475-H495 PolarHBondContact SG-NE2 3.47Å; C475-H495 VanDerWaalsContact SG-NE2 3.38Å; C478-H495 PolarHBondContact SG-NE2 2.85Å; H491-H495 AromaticContact CD2-NE2 3.75Å; H491-H495 AromaticContact CE1-NE2 3.62Å; H491-H495 AromaticContact NE2-CD2 3.89Å; H491-H495 AromaticContact NE2-CE1 3.9Å; H491-H495 AromaticContact NE2-NE2 3Å; H491-H495 PolarHBondContact NE2-NE2 3.35Å; A492-H495 PolarHBondContact O-N 3.37Å; H495-G497 VanDerWaalsContact C-N 3.31Å
496T89.8Confident91.4Very high104 Ų10468.9 Ų68.964%0.63838%0.379SS*.SBendtrans-83.4-5177.462.70000113.8A492 R493 A498A492-T496 PolarHBondContact O-N 3.04Å; A492-T496 PolarHBondContact O-OG1 3Å; R493-T496 WeakPolarHBondContact CA-OG1 3.5Å; T496-A498 PolarHBondContact O-N 2.74Å; T496-A498 VanDerWaalsContact O-N 3.1Å; T496-A498 WeakPolarHBondContact OG1-CB 3.45Å
497G88.8Confident91.5Very high47 Ų4771.5 Ų71.549%0.48539%0.389SS..  trans63.88.1-173.900000114.9R493 H495 K499R493-G497 CarbonylContact O-C 3.08Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 3.41Å; R493-G497 VanDerWaalsContact O-N 3.12Å; H495-G497 VanDerWaalsContact C-N 3.31Å; G497-K499 PolarHBondContact O-N 2.81Å
498A89.4Confident91.5Very high40 Ų4077.1 Ų77.133%0.33141%0.409SS..  trans-68.3115.4-168.100000113.1R493 T496 P500R493-A498 HydrophobicContact CB-CB 4.42Å; R493-A498 HydrophobicContact CG-CB 4.28Å; R493-A498 PolarHBondContact O-N 3.37Å; T496-A498 PolarHBondContact O-N 2.74Å; T496-A498 VanDerWaalsContact O-N 3.1Å; T496-A498 WeakPolarHBondContact OG1-CB 3.45Å; A498-P500 VanDerWaalsContact C-CD 3.45Å; A498-P500 WeakPolarHBondContact O-CD 3.38Å
499K91.5Very high91.6Very high104 Ų10479.4 Ų79.445%0.45242%0.418SS..  trans-11572.1-179.8-65.9169.3-176.4-178.70111.8G497 F501 E509 F510G497-K499 PolarHBondContact O-N 2.81Å; K499-F501 PolarHBondContact O-N 3.16Å; K499-F501 VanDerWaalsContact O-N 3.16Å; K499-E509 HydrophobicContact CB-CB 3.5Å; K499-E509 VanDerWaalsContact CB-CB 3.5Å; K499-E509 HydrophobicContact CD-CB 3.87Å; K499-E509 HydrophobicContact CG-CB 4.29Å; K499-F510 CarbonylContact C-O 3.57Å; K499-F510 VanDerWaalsContact C-O 3.24Å; K499-F510 VanDerWaalsContact CA-O 3.31Å; K499-F510 WeakPolarHBondContact CA-O 3.48Å
500P90.9Very high91.7Very high76 Ų7677.8 Ų77.849%0.49441%0.405SS..  trans-69.1-12.2-17227.8-35.7000115A498A498-P500 VanDerWaalsContact C-CD 3.45Å; A498-P500 WeakPolarHBondContact O-CD 3.38Å
501F93.6Very high91.8Very high63 Ų6375.2 Ų75.228%0.27640%0.4SS..EExtended strand (participates in β ladder)trans-104102.2-176.5-57.2-74.1000110.7K499 E509 F510 S513 L516K499-F501 PolarHBondContact O-N 3.16Å; K499-F501 VanDerWaalsContact O-N 3.16Å; F501-E509 CarbonylContact O-C 3.47Å; F501-E509 WeakPolarHBondContact O-CA 3.31Å; F501-F510 HydrophobicContact CB-CB 4.32Å; F501-F510 PolarHBondContact N-O 3.49Å; F501-F510 VanDerWaalsContact N-O 3.11Å; F501-F510 PolarHBondContact O-N 3.25Å; F501-S513 VanDerWaalsContact CD2-N 3.31Å; F501-S513 VanDerWaalsContact CE2-N 3.28Å; F501-L516 HydrophobicContact CB-CB 4.09Å; F501-L516 HydrophobicContact CB-CD2 3.84Å
502K91.9Very high91.8Very high119 Ų11976 Ų7652%0.51740%0.402SS..EExtended strand (participates in β ladder)trans-96.7140.4179.4-47.9-160.8-172.7-156.20111.7E509K502-E509 HydrophobicContact CD-CG 4.1Å; K502-E509 WeakPolarHBondContact CD-OE1 3.48Å; K502-E509 WeakPolarHBondContact CE-OE1 3.44Å; K502-E509 HydrophobicContact CG-CG 4.04Å; K502-E509 IonicContact NZ-OE1 2.64Å; K502-E509 PolarHBondContact NZ-OE1 2.97Å
503C95Very high91.9Very high1 Ų177.3 Ų77.31%0.00741%0.41CS..  trans-77.8124.7169.3175.60000110.3E505 Q507 R508 L516 M520 H523C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.14Å; C503-E505 PolarHBondContact SG-N 3.36Å; C503-Q507 WeakPolarHBondContact O-CA 3.18Å; C503-Q507 PolarHBondContact O-N 3.08Å; C503-R508 WeakPolarHBondContact CB-O 3.48Å; C503-R508 PolarHBondContact N-O 3.22Å; C503-L516 HydrophobicContact CB-CD1 3.85Å; C503-M520 HydrophobicContact CB-SD 4.3Å; C503-H523 PolarHBondContact SG-NE2 3.03Å
504A92Very high91.9Very high82 Ų8277.2 Ų77.268%0.67842%0.415SS*.THydrogen-bonded Turntrans-63.4-34.9178.900000113.2Q507A504-Q507 PolarHBondContact O-NE2 3.06Å
505E91.6Very high92Very high121 Ų12175 Ų7557%0.56540%0.402SS*.THydrogen-bonded Turntrans-81.4-38.6-171.3-64.5179.8-109.700113.6C503 M520 H523C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.14Å; C503-E505 PolarHBondContact SG-N 3.36Å; E505-M520 HydrophobicContact CG-CE 4.35Å; E505-M520 WeakPolarHBondContact OE1-CE 3.07Å; E505-H523 VanDerWaalsContact OE1-CB 3.32Å; E505-H523 WeakPolarHBondContact OE1-CB 3.27Å; E505-H523 IonicContact OE1-CD2 2.79Å; E505-H523 IonicContact OE1-CG 3.63Å; E505-H523 WeakPolarHBondContact OE2-CB 3.49Å; E505-H523 IonicContact OE2-CG 2.74Å
506C93.3Very high92.2Very high44 Ų4472.7 Ų72.730%0.29739%0.392SS..THydrogen-bonded Turntrans-128.813.8-178.177.40000114.7R508 H519 H523C506-R508 PolarHBondContact O-N 2.97Å; C506-H519 PolarHBondContact SG-NE2 2.98Å; C506-H523 WeakPolarHBondContact CB-CE1 3.46Å; C506-H523 PolarHBondContact SG-CE1 2.65Å; C506-H523 PolarHBondContact SG-NE2 3.07Å
507Q91.6Very high92.3Very high124 Ų12471.5 Ų71.558%0.57939%0.385SS*.  trans55.216.8174.1-57-60-38.300115.8C503 A504C503-Q507 WeakPolarHBondContact O-CA 3.18Å; C503-Q507 PolarHBondContact O-N 3.08Å; A504-Q507 PolarHBondContact O-NE2 3.06Å
508R91.7Very high92.5Very high163 Ų16371.5 Ų71.562%0.61538%0.376SS*.  trans-71.2134.6173.6-74.8-179.2179.4-164-1.6110.3C503 C506 F510C503-R508 WeakPolarHBondContact CB-O 3.48Å; C503-R508 PolarHBondContact N-O 3.22Å; C506-R508 PolarHBondContact O-N 2.97Å; R508-F510 HydrophobicContact CB-CE2 3.74Å; R508-F510 HydrophobicContact CB-CZ 3.99Å; R508-F510 WeakPolarHBondContact O-CD2 3.02Å; R508-F510 VanDerWaalsContact O-CE2 3.31Å; R508-F510 WeakPolarHBondContact O-CE2 3.32Å
509E94.9Very high92.7Very high82 Ų8270.4 Ų70.438%0.38336%0.363SS..EExtended strand (participates in β ladder)trans-107141.5-175.4-44.2-173.3150.800112K499 F501 K502K499-E509 HydrophobicContact CB-CB 3.5Å; K499-E509 VanDerWaalsContact CB-CB 3.5Å; K499-E509 HydrophobicContact CD-CB 3.87Å; K499-E509 HydrophobicContact CG-CB 4.29Å; F501-E509 CarbonylContact O-C 3.47Å; F501-E509 WeakPolarHBondContact O-CA 3.31Å; K502-E509 HydrophobicContact CD-CG 4.1Å; K502-E509 WeakPolarHBondContact CD-OE1 3.48Å; K502-E509 WeakPolarHBondContact CE-OE1 3.44Å; K502-E509 HydrophobicContact CG-CG 4.04Å; K502-E509 IonicContact NZ-OE1 2.64Å; K502-E509 PolarHBondContact NZ-OE1 2.97Å
510F92.9Very high92.8Very high45 Ų4567.9 Ų67.920%0.19735%0.354CS..EExtended strand (participates in β ladder)trans-129.9144.1-175.7-59-93000111.3K499 F501 R508 R512 H515 L516 H519K499-F510 CarbonylContact C-O 3.57Å; K499-F510 VanDerWaalsContact C-O 3.24Å; K499-F510 VanDerWaalsContact CA-O 3.31Å; K499-F510 WeakPolarHBondContact CA-O 3.48Å; F501-F510 HydrophobicContact CB-CB 4.32Å; F501-F510 PolarHBondContact N-O 3.49Å; F501-F510 VanDerWaalsContact N-O 3.11Å; F501-F510 PolarHBondContact O-N 3.25Å; R508-F510 HydrophobicContact CB-CE2 3.74Å; R508-F510 HydrophobicContact CB-CZ 3.99Å; R508-F510 WeakPolarHBondContact O-CD2 3.02Å; R508-F510 VanDerWaalsContact O-CE2 3.31Å; R508-F510 WeakPolarHBondContact O-CE2 3.32Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 2.81Å; F510-H515 HydrophobicContact CB-CB 4.36Å; F510-H515 HydrophobicContact CD1-CB 3.96Å; F510-H515 HydrophobicContact CG-CB 4.46Å; F510-L516 HydrophobicContact CB-CB 4.44Å; F510-L516 HydrophobicContact CD2-CB 4.16Å; F510-L516 HydrophobicContact CD2-CD1 3.98Å; F510-L516 HydrophobicContact CE2-CD1 4.15Å; F510-L516 HydrophobicContact CG-CB 4.4Å; F510-H519 HydrophobicContact CE1-CB 4.11Å; F510-H519 HydrophobicContact CE2-CB 4.19Å; F510-H519 AromaticContact CE2-CD2 3.22Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.5Å; F510-H519 AromaticContact CE2-CG 3.9Å; F510-H519 HydrophobicContact CZ-CB 3.67Å; F510-H519 AromaticContact CZ-CD2 3.23Å; F510-H519 WeakPolarHBondContact CZ-CD2 3Å; F510-H519 AromaticContact CZ-CG 3.47Å; F510-H519 VanDerWaalsContact CZ-CG 3.47Å; F510-H519 AromaticContact CZ-NE2 3.99Å
511S92.5Very high92.9Very high37 Ų3766.8 Ų66.826%0.25934%0.34SS..SBendtrans-76.2-15.2177.356.70000113.9R493R493-S511 WeakPolarHBondContact CD-O 3.43Å; R493-S511 PolarHBondContact NH1-O 3.45Å
512R92.3Very high92.8Very high38 Ų3868.5 Ų68.514%0.14336%0.356CS..SBendtrans-139144.4-176.1-59.816253.1157.8-7.7111.8D13 R490 F510 D514 H515 L516D13-R512 IonicContact OD1-NH1 2.93Å; D13-R512 IonicContact OD2-CZ 3.79Å; D13-R512 IonicContact OD2-NH1 3.65Å; D13-R512 PolarHBondContact OD2-NH1 2.6Å; R490-R512 HydrophobicContact CG-CG 3.97Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 2.81Å; R512-D514 WeakPolarHBondContact CB-OD1 3.11Å; R512-D514 IonicContact CZ-OD1 2.81Å; R512-D514 IonicContact CZ-OD2 3.84Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.04Å; R512-D514 IonicContact NE-OD2 2.76Å; R512-D514 IonicContact NH2-OD1 3.31Å; R512-D514 PolarHBondContact NH2-OD1 2.76Å; R512-D514 IonicContact NH2-OD2 3.21Å; R512-D514 PolarHBondContact NH2-OD2 3.25Å; R512-H515 HydrophobicContact CB-CB 4.49Å; R512-H515 WeakPolarHBondContact CD-NE2 3.23Å; R512-H515 VanDerWaalsContact CZ-CE1 3.45Å; R512-H515 PolarHBondContact NE-CE1 3.42Å; R512-H515 PolarHBondContact O-N 2.74Å; R512-L516 PolarHBondContact O-N 3.41Å
513S92.8Very high92.9Very high64 Ų6466.4 Ų66.445%0.44835%0.347SS..Hα-helixtrans-68.8-37.6-179.846.60000112.9F501 H515 L516 T517F501-S513 VanDerWaalsContact CD2-N 3.31Å; F501-S513 VanDerWaalsContact CE2-N 3.28Å; S513-H515 PolarHBondContact O-N 3.19Å; S513-L516 PolarHBondContact O-N 3.28Å; S513-L516 VanDerWaalsContact O-N 3.13Å; S513-T517 PolarHBondContact O-N 3.25Å; S513-T517 PolarHBondContact O-OG1 3.47Å
514D91.1Very high92.7Very high71 Ų7170.2 Ų70.238%0.3837%0.371SS..Hα-helixtrans-60.8-34177.267.6-47.4000112R512 T518R512-D514 WeakPolarHBondContact CB-OD1 3.11Å; R512-D514 IonicContact CZ-OD1 2.81Å; R512-D514 IonicContact CZ-OD2 3.84Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.04Å; R512-D514 IonicContact NE-OD2 2.76Å; R512-D514 IonicContact NH2-OD1 3.31Å; R512-D514 PolarHBondContact NH2-OD1 2.76Å; R512-D514 IonicContact NH2-OD2 3.21Å; R512-D514 PolarHBondContact NH2-OD2 3.25Å; D514-T518 WeakPolarHBondContact O-CG2 3.47Å; D514-T518 PolarHBondContact O-N 2.88Å; D514-T518 PolarHBondContact O-OG1 2.69Å
515H93.3Very high92.6Very high70 Ų7068.8 Ų68.832%0.32436%0.364SS..Hα-helixtrans-68.7-45.7173.9-63.80.1000111.7F510 R512 S513 T517 T518 H519F510-H515 HydrophobicContact CB-CB 4.36Å; F510-H515 HydrophobicContact CD1-CB 3.96Å; F510-H515 HydrophobicContact CG-CB 4.46Å; R512-H515 HydrophobicContact CB-CB 4.49Å; R512-H515 WeakPolarHBondContact CD-NE2 3.23Å; R512-H515 VanDerWaalsContact CZ-CE1 3.45Å; R512-H515 PolarHBondContact NE-CE1 3.42Å; R512-H515 PolarHBondContact O-N 2.74Å; S513-H515 PolarHBondContact O-N 3.19Å; H515-T517 PolarHBondContact O-N 3.5Å; H515-T518 PolarHBondContact O-N 3.13Å; H515-T518 PolarHBondContact O-OG1 2.85Å; H515-H519 PolarHBondContact O-N 2.79Å
516L94.5Very high92.6Very high31 Ų3167.8 Ų67.816%0.16236%0.359CS..Hα-helixtrans-57.5-47.5172.9175.860.2000111.3F501 C503 F510 R512 S513 T518 H519 M520F501-L516 HydrophobicContact CB-CB 4.09Å; F501-L516 HydrophobicContact CB-CD2 3.84Å; C503-L516 HydrophobicContact CB-CD1 3.85Å; F510-L516 HydrophobicContact CB-CB 4.44Å; F510-L516 HydrophobicContact CD2-CB 4.16Å; F510-L516 HydrophobicContact CD2-CD1 3.98Å; F510-L516 HydrophobicContact CE2-CD1 4.15Å; F510-L516 HydrophobicContact CG-CB 4.4Å; R512-L516 PolarHBondContact O-N 3.41Å; S513-L516 PolarHBondContact O-N 3.28Å; S513-L516 VanDerWaalsContact O-N 3.13Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.35Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 WeakPolarHBondContact O-CA 3.42Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.3Å; L516-M520 HydrophobicContact CD1-CG 4.23Å; L516-M520 HydrophobicContact CD1-SD 3.81Å; L516-M520 HydrophobicContact CG-CG 4.45Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3Å
517T93Very high92.6Very high80 Ų8071.4 Ų71.449%0.49137%0.367SS..Hα-helixtrans-60.4-39.7177.3-51.50000112.3S513 H515 H519 M520S513-T517 PolarHBondContact O-N 3.25Å; S513-T517 PolarHBondContact O-OG1 3.47Å; H515-T517 PolarHBondContact O-N 3.5Å; T517-H519 VanDerWaalsContact C-N 3.28Å; T517-H519 PolarHBondContact O-N 2.87Å; T517-M520 PolarHBondContact O-N 2.92Å
518T92.6Very high92.6Very high47 Ų4769 Ų6929%0.28836%0.361SS..Hα-helixtrans-70.4-23.3173.656.80000113.8D514 H515 L516 R540D514-T518 WeakPolarHBondContact O-CG2 3.47Å; D514-T518 PolarHBondContact O-N 2.88Å; D514-T518 PolarHBondContact O-OG1 2.69Å; H515-T518 PolarHBondContact O-N 3.13Å; H515-T518 PolarHBondContact O-OG1 2.85Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.35Å; T518-R540 HydrophobicContact CG2-CG 4.06Å
519H93.4Very high92.7Very high16 Ų1664.2 Ų64.27%0.07435%0.345CS..Hα-helixtrans-79.9-36.1173.4169.343.2000112.6C506 F510 H515 L516 T517 R521 T522 H523C506-H519 PolarHBondContact SG-NE2 2.98Å; F510-H519 HydrophobicContact CE1-CB 4.11Å; F510-H519 HydrophobicContact CE2-CB 4.19Å; F510-H519 AromaticContact CE2-CD2 3.22Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.5Å; F510-H519 AromaticContact CE2-CG 3.9Å; F510-H519 HydrophobicContact CZ-CB 3.67Å; F510-H519 AromaticContact CZ-CD2 3.23Å; F510-H519 WeakPolarHBondContact CZ-CD2 3Å; F510-H519 AromaticContact CZ-CG 3.47Å; F510-H519 VanDerWaalsContact CZ-CG 3.47Å; F510-H519 AromaticContact CZ-NE2 3.99Å; H515-H519 PolarHBondContact O-N 2.79Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 WeakPolarHBondContact O-CA 3.42Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.3Å; T517-H519 VanDerWaalsContact C-N 3.28Å; T517-H519 PolarHBondContact O-N 2.87Å; H519-R521 PolarHBondContact O-N 2.78Å; H519-R521 VanDerWaalsContact O-N 3.08Å; H519-T522 PolarHBondContact CE1-OG1 3.47Å; H519-T522 PolarHBondContact ND1-OG1 2.95Å; H519-T522 WeakPolarHBondContact O-CB 3.45Å; H519-T522 PolarHBondContact O-N 3.39Å; H519-T522 PolarHBondContact O-OG1 2.6Å; H519-H523 AromaticContact CD2-NE2 3.62Å; H519-H523 AromaticContact CE1-CD2 3.96Å; H519-H523 AromaticContact CE1-NE2 2.84Å; H519-H523 PolarHBondContact CE1-NE2 2.82Å; H519-H523 AromaticContact ND1-NE2 3.9Å; H519-H523 AromaticContact NE2-NE2 2.6Å; H519-H523 PolarHBondContact NE2-NE2 3.44Å
520M93.4Very high92.5Very high51 Ų5163.8 Ų63.825%0.25135%0.348SS..Hα-helixtrans-57.7-27.9176.1-62.9-48-60.700112.3C503 E505 L516 T517 T522 H523 T524C503-M520 HydrophobicContact CB-SD 4.3Å; E505-M520 HydrophobicContact CG-CE 4.35Å; E505-M520 WeakPolarHBondContact OE1-CE 3.07Å; L516-M520 HydrophobicContact CD1-CG 4.23Å; L516-M520 HydrophobicContact CD1-SD 3.81Å; L516-M520 HydrophobicContact CG-CG 4.45Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3Å; T517-M520 PolarHBondContact O-N 2.92Å; M520-T522 PolarHBondContact O-N 2.84Å; M520-H523 WeakPolarHBondContact O-CB 3.49Å; M520-H523 PolarHBondContact O-N 3.5Å; M520-T524 PolarHBondContact O-N 2.48Å
521R93.5Very high92.6Very high54 Ų5461.7 Ų61.720%0.20434%0.339CS..Hα-helixtrans-65-16.3171.1-62.6-161.4179.6112.316.4115.4H519 H523 G525 E526 A539H519-R521 PolarHBondContact O-N 2.78Å; H519-R521 VanDerWaalsContact O-N 3.08Å; R521-H523 VanDerWaalsContact C-N 3.3Å; R521-G525 WeakPolarHBondContact O-CA 3.46Å; R521-G525 PolarHBondContact O-N 3.23Å; R521-E526 HydrophobicContact CB-CB 4.16Å; R521-E526 HydrophobicContact CG-CB 3.85Å; R521-E526 IonicContact NE-OE2 3.18Å; R521-E526 PolarHBondContact NE-OE2 3.07Å; R521-E526 PolarHBondContact O-N 2.86Å; R521-A539 HydrophobicContact CB-CB 4.41Å; R521-A539 PolarHBondContact NH1-O 2.91Å; R521-A539 VanDerWaalsContact NH1-O 3.16Å
522T92.2Very high92.6Very high99 Ų9965.9 Ų65.961%0.60736%0.359SS*.Hα-helixtrans-79.7-15.4170.270.10000112.5H519 M520H519-T522 PolarHBondContact CE1-OG1 3.47Å; H519-T522 PolarHBondContact ND1-OG1 2.95Å; H519-T522 WeakPolarHBondContact O-CB 3.45Å; H519-T522 PolarHBondContact O-N 3.39Å; H519-T522 PolarHBondContact O-OG1 2.6Å; M520-T522 PolarHBondContact O-N 2.84Å
523H92.5Very high92.6Very high74 Ų7469.4 Ų69.434%0.34338%0.379SS..Hα-helixtrans-94.8-49.2172.6-61-57000111.3C503 E505 C506 H519 M520 R521 G525C503-H523 PolarHBondContact SG-NE2 3.03Å; E505-H523 VanDerWaalsContact OE1-CB 3.32Å; E505-H523 WeakPolarHBondContact OE1-CB 3.27Å; E505-H523 IonicContact OE1-CD2 2.79Å; E505-H523 IonicContact OE1-CG 3.63Å; E505-H523 WeakPolarHBondContact OE2-CB 3.49Å; E505-H523 IonicContact OE2-CG 2.74Å; C506-H523 WeakPolarHBondContact CB-CE1 3.46Å; C506-H523 PolarHBondContact SG-CE1 2.65Å; C506-H523 PolarHBondContact SG-NE2 3.07Å; H519-H523 AromaticContact CD2-NE2 3.62Å; H519-H523 AromaticContact CE1-CD2 3.96Å; H519-H523 AromaticContact CE1-NE2 2.84Å; H519-H523 PolarHBondContact CE1-NE2 2.82Å; H519-H523 AromaticContact ND1-NE2 3.9Å; H519-H523 AromaticContact NE2-NE2 2.6Å; H519-H523 PolarHBondContact NE2-NE2 3.44Å; M520-H523 WeakPolarHBondContact O-CB 3.49Å; M520-H523 PolarHBondContact O-N 3.5Å; R521-H523 VanDerWaalsContact C-N 3.3Å; H523-G525 PolarHBondContact O-N 2.76Å
524T91.3Very high92.6Very high82 Ų8269.2 Ų69.250%0.50338%0.377SS..Hα-helixtrans-72.6-10.9178.466.20000114.2M520 E526M520-T524 PolarHBondContact O-N 2.48Å; T524-E526 PolarHBondContact O-N 3.46Å; T524-E526 WeakPolarHBondContact OG1-CB 3.17Å; T524-E526 WeakPolarHBondContact OG1-CG 3.42Å
525G90.2Very high92.7Very high51 Ų5168.4 Ų68.453%0.52639%0.386SS..  trans69.55.6-175.700000114.7R521 H523 R527R521-G525 WeakPolarHBondContact O-CA 3.46Å; R521-G525 PolarHBondContact O-N 3.23Å; H523-G525 PolarHBondContact O-N 2.76Å; G525-R527 WeakPolarHBondContact O-CG 3.31Å; G525-R527 PolarHBondContact O-N 2.91Å
526E92.5Very high92.6Very high100 Ų10072.4 Ų72.447%0.46740%0.398SS..  trans-59.9127.9-175.6-91.3179.9-14200113.9R521 T524 P528R521-E526 HydrophobicContact CB-CB 4.16Å; R521-E526 HydrophobicContact CG-CB 3.85Å; R521-E526 IonicContact NE-OE2 3.18Å; R521-E526 PolarHBondContact NE-OE2 3.07Å; R521-E526 PolarHBondContact O-N 2.86Å; T524-E526 PolarHBondContact O-N 3.46Å; T524-E526 WeakPolarHBondContact OG1-CB 3.17Å; T524-E526 WeakPolarHBondContact OG1-CG 3.42Å; E526-P528 VanDerWaalsContact C-CD 3.45Å; E526-P528 WeakPolarHBondContact O-CD 3.49Å
527R92Very high92.5Very high121 Ų12172.8 Ų72.846%0.45740%0.403SS..  trans-128.858.6-179.8-64.2165.876.9110.913.9112.3G525 F529 S537 F538G525-R527 WeakPolarHBondContact O-CG 3.31Å; G525-R527 PolarHBondContact O-N 2.91Å; R527-F529 PolarHBondContact O-N 3.39Å; R527-S537 WeakPolarHBondContact CB-OG 3.26Å; R527-S537 PolarHBondContact NE-O 3.04Å; R527-S537 VanDerWaalsContact NE-O 3.11Å; R527-S537 PolarHBondContact NE-OG 3.16Å; R527-S537 PolarHBondContact NH2-O 2.98Å; R527-S537 WeakPolarHBondContact O-CB 3.31Å; R527-F538 CarbonylContact C-O 3.21Å; R527-F538 VanDerWaalsContact CA-O 3.3Å; R527-F538 WeakPolarHBondContact CA-O 3.31Å
528P91.6Very high92.5Very high72 Ų7270.2 Ų70.247%0.46839%0.385SS..BIsolated β-bridgetrans-65.6-11.1-16826.9-36.4000115.3E526 V530E526-P528 VanDerWaalsContact C-CD 3.45Å; E526-P528 WeakPolarHBondContact O-CD 3.49Å; P528-V530 PolarHBondContact O-N 2.93Å
529F93.5Very high92.5Very high64 Ų6469 Ų6928%0.28138%0.38SS..  trans-97.579.2-178.9-57.2-73.3000111.7R527 F538 A539 R544R527-F529 PolarHBondContact O-N 3.39Å; F529-F538 HydrophobicContact CB-CB 4.29Å; F529-F538 WeakPolarHBondContact CB-O 3.49Å; F529-F538 PolarHBondContact N-O 2.91Å; F529-F538 WeakPolarHBondContact O-CD2 3.46Å; F529-F538 PolarHBondContact O-N 2.83Å; F529-A539 WeakPolarHBondContact CE2-O 3.15Å; F529-R544 HydrophobicContact CB-CB 4.07Å
530V92.4Very high92.4Very high73 Ų7373.2 Ų73.244%0.44240%0.395SS..  trans-67.3133.2173.8178.30000111.4P528 R544P528-V530 PolarHBondContact O-N 2.93Å; V530-R544 WeakPolarHBondContact O-CD 3.27Å; V530-R544 PolarHBondContact O-NH1 2.97Å
531C95Very high92.4Very high0 Ų072.8 Ų72.80%040%0.397CS..  trans-80.4115.8175.3-176.90000111.9I533 C534 G535 R536 F538 R544 H547C531-I533 PolarHBondContact O-N 2.87Å; C531-C534 PolarHBondContact O-N 2.86Å; C531-C534 VanDerWaalsContact O-N 3.14Å; C531-C534 VanDerWaalsContact SG-SG 3.64Å; C531-G535 PolarHBondContact O-N 3.11Å; C531-R536 VanDerWaalsContact CB-O 3.27Å; C531-R536 WeakPolarHBondContact CB-O 3.4Å; C531-R536 PolarHBondContact N-O 2.86Å; C531-F538 HydrophobicContact CB-CE2 4.11Å; C531-R544 HydrophobicContact CB-CG 4.34Å; C531-H547 PolarHBondContact SG-CD2 3.48Å
532D91.9Very high92.3Very high126 Ų12672 Ų7267%0.67440%0.397SS*.THydrogen-bonded Turntrans-60.8-13.3-172.6-35.5-53.4000114.5R544D532-R544 IonicContact OD1-CZ 2.66Å; D532-R544 IonicContact OD1-NH1 2.75Å; D532-R544 PolarHBondContact OD1-NH1 3.04Å; D532-R544 IonicContact OD2-CZ 3.69Å; D532-R544 IonicContact OD2-NH1 3.66Å; D532-R544 PolarHBondContact OD2-NH1 3.32Å; D532-R544 IonicContact OD2-NH2 3.42Å
533I91.6Very high92.4Very high111 Ų11169 Ų6957%0.56938%0.376SS*.THydrogen-bonded Turntrans-100.5-22.2-177-59.3170.6000112.6C531 H551C531-I533 PolarHBondContact O-N 2.87Å; I533-H551 HydrophobicContact CD1-CB 3.7Å; I533-H551 HydrophobicContact CG2-CB 3.98Å
534C93.8Very high92.5Very high61 Ų6168.6 Ų68.641%0.41237%0.372SS..THydrogen-bonded Turntrans-146.37.9-171.168.30000115.3C531 R536 H547 H551C531-C534 PolarHBondContact O-N 2.86Å; C531-C534 VanDerWaalsContact O-N 3.14Å; C531-C534 VanDerWaalsContact SG-SG 3.64Å; C534-R536 PolarHBondContact O-N 2.86Å; C534-H547 PolarHBondContact SG-NE2 3.44Å; C534-H551 PolarHBondContact SG-NE2 3.33Å
535G91.8Very high92.6Very high54 Ų5470.4 Ų70.456%0.55737%0.372SS*.  trans68.4-7.1-178.500000115.7C531 S537C531-G535 PolarHBondContact O-N 3.11Å; G535-S537 PolarHBondContact O-N 2.8Å
536R91.7Very high92.7Very high154 Ų15474.4 Ų74.458%0.58137%0.372SS*.  trans-67.7125.3-175.2-168.2170.3-170.9157.67.4111.8C531 C534 F538C531-R536 VanDerWaalsContact CB-O 3.27Å; C531-R536 WeakPolarHBondContact CB-O 3.4Å; C531-R536 PolarHBondContact N-O 2.86Å; C534-R536 PolarHBondContact O-N 2.86Å; R536-F538 HydrophobicContact CB-CE2 4Å; R536-F538 HydrophobicContact CB-CZ 4.35Å; R536-F538 HydrophobicContact CG-CE2 3.91Å; R536-F538 HydrophobicContact CG-CZ 3.9Å; R536-F538 VanDerWaalsContact O-CD2 3.28Å; R536-F538 WeakPolarHBondContact O-CD2 3.4Å; R536-F538 WeakPolarHBondContact O-CE2 3.45Å
537S93.3Very high92.7Very high39 Ų3971.3 Ų71.327%0.27336%0.357SS..  trans-86.6147.8-178.564.80000113.1R527 G535R527-S537 WeakPolarHBondContact CB-OG 3.26Å; R527-S537 PolarHBondContact NE-O 3.04Å; R527-S537 VanDerWaalsContact NE-O 3.11Å; R527-S537 PolarHBondContact NE-OG 3.16Å; R527-S537 PolarHBondContact NH2-O 2.98Å; R527-S537 WeakPolarHBondContact O-CB 3.31Å; G535-S537 PolarHBondContact O-N 2.8Å
538F92.4Very high92.6Very high26 Ų2667.4 Ų67.411%0.11435%0.347CS..BIsolated β-bridgetrans-138.4149.2-179.1-64.3-89000112R527 F529 C531 R536 E543 R544 H547R527-F538 CarbonylContact C-O 3.21Å; R527-F538 VanDerWaalsContact CA-O 3.3Å; R527-F538 WeakPolarHBondContact CA-O 3.31Å; F529-F538 HydrophobicContact CB-CB 4.29Å; F529-F538 WeakPolarHBondContact CB-O 3.49Å; F529-F538 PolarHBondContact N-O 2.91Å; F529-F538 WeakPolarHBondContact O-CD2 3.46Å; F529-F538 PolarHBondContact O-N 2.83Å; C531-F538 HydrophobicContact CB-CE2 4.11Å; R536-F538 HydrophobicContact CB-CE2 4Å; R536-F538 HydrophobicContact CB-CZ 4.35Å; R536-F538 HydrophobicContact CG-CE2 3.91Å; R536-F538 HydrophobicContact CG-CZ 3.9Å; R536-F538 VanDerWaalsContact O-CD2 3.28Å; R536-F538 WeakPolarHBondContact O-CD2 3.4Å; R536-F538 WeakPolarHBondContact O-CE2 3.45Å; F538-E543 HydrophobicContact CB-CB 4.12Å; F538-E543 HydrophobicContact CD1-CB 3.79Å; F538-E543 HydrophobicContact CG-CB 4.22Å; F538-R544 HydrophobicContact CB-CB 4.37Å; F538-R544 HydrophobicContact CD2-CB 4.06Å; F538-R544 HydrophobicContact CD2-CG 4.34Å; F538-R544 HydrophobicContact CG-CB 4.37Å; F538-H547 HydrophobicContact CE1-CB 4.16Å; F538-H547 HydrophobicContact CE2-CB 4.04Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.4Å; F538-H547 AromaticContact CE2-CG 3.86Å; F538-H547 HydrophobicContact CZ-CB 3.59Å; F538-H547 AromaticContact CZ-CD2 3.37Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.41Å; F538-H547 AromaticContact CZ-CG 3.42Å; F538-H547 VanDerWaalsContact CZ-CG 3.42Å
539A92.5Very high92.6Very high22 Ų2270.3 Ų70.318%0.18235%0.352CS..SBendtrans-78.4-26-179.100000112.9R521 F529 E543R521-A539 HydrophobicContact CB-CB 4.41Å; R521-A539 PolarHBondContact NH1-O 2.91Å; R521-A539 VanDerWaalsContact NH1-O 3.16Å; F529-A539 WeakPolarHBondContact CE2-O 3.15Å; A539-E543 PolarHBondContact N-OE2 3.21Å
540R92Very high92.5Very high103 Ų10371.2 Ų71.239%0.38936%0.363SS..SBendtrans-126.8149177.1-59.3-178.7-71.3-179.5-3.4113.5T518 D542 E543 R544T518-R540 HydrophobicContact CG2-CG 4.06Å; R540-D542 VanDerWaalsContact C-N 3.3Å; R540-D542 WeakPolarHBondContact CB-OD1 3.34Å; R540-D542 PolarHBondContact O-N 3.35Å; R540-E543 HydrophobicContact CB-CG 4.15Å; R540-E543 IonicContact CZ-OE1 2.74Å; R540-E543 PolarHBondContact N-OE2 2.82Å; R540-E543 IonicContact NE-OE1 3.5Å; R540-E543 PolarHBondContact NE-OE1 3Å; R540-E543 IonicContact NH2-OE1 3.19Å; R540-E543 PolarHBondContact NH2-OE1 2.95Å; R540-E543 WeakPolarHBondContact O-CB 3.46Å; R540-E543 PolarHBondContact O-N 2.73Å; R540-R544 PolarHBondContact O-N 2.72Å
541S92.8Very high92.2Very high42 Ų4269.3 Ų69.329%0.29435%0.349SS..Hα-helixtrans-70.4-24.8-175.485.60000113.8K545S541-K545 VanDerWaalsContact O-CD 3.31Å; S541-K545 WeakPolarHBondContact O-CD 3.18Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.4Å; S541-K545 VanDerWaalsContact O-N 3.12Å; S541-K545 PolarHBondContact OG-NZ 3.22Å
542D91.9Very high91.5Very high37 Ų3776.1 Ų76.120%0.19838%0.381CS..Hα-helixtrans-75.6-36.5176.674.2-60.3000111.3Y14 R540 R544 K545 R546Y14-D542 PolarHBondContact OH-OD2 3.19Å; R540-D542 VanDerWaalsContact C-N 3.3Å; R540-D542 WeakPolarHBondContact CB-OD1 3.34Å; R540-D542 PolarHBondContact O-N 3.35Å; D542-R544 VanDerWaalsContact C-N 3.33Å; D542-R544 PolarHBondContact O-N 3.07Å; D542-K545 CarbonylContact O-C 3.19Å; D542-K545 PolarHBondContact O-N 3.49Å; D542-R546 VanDerWaalsContact O-CB 3.27Å; D542-R546 WeakPolarHBondContact O-CB 3.2Å; D542-R546 PolarHBondContact O-N 3.31Å; D542-R546 IonicContact OD2-CZ 3.67Å; D542-R546 IonicContact OD2-NH2 3.73Å; D542-R546 PolarHBondContact OD2-NH2 3.4Å
543E93.1Very high90.5Very high37 Ų3777.4 Ų77.417%0.17338%0.38CS..Hα-helixtrans-58.3-47172-65.1164.8171.700110.7F538 A539 R540 R546 H547F538-E543 HydrophobicContact CB-CB 4.12Å; F538-E543 HydrophobicContact CD1-CB 3.79Å; F538-E543 HydrophobicContact CG-CB 4.22Å; A539-E543 PolarHBondContact N-OE2 3.21Å; R540-E543 HydrophobicContact CB-CG 4.15Å; R540-E543 IonicContact CZ-OE1 2.74Å; R540-E543 PolarHBondContact N-OE2 2.82Å; R540-E543 IonicContact NE-OE1 3.5Å; R540-E543 PolarHBondContact NE-OE1 3Å; R540-E543 IonicContact NH2-OE1 3.19Å; R540-E543 PolarHBondContact NH2-OE1 2.95Å; R540-E543 WeakPolarHBondContact O-CB 3.46Å; R540-E543 PolarHBondContact O-N 2.73Å; E543-R546 WeakPolarHBondContact O-CB 3.06Å; E543-R546 PolarHBondContact O-N 3.27Å; E543-H547 WeakPolarHBondContact O-CB 3.43Å; E543-H547 PolarHBondContact O-N 3.14Å
544R95.2Very high89Confident66 Ų6676.1 Ų76.125%0.24938%0.381CS..Hα-helixtrans-57.3-49.8172.1-174.2178.479.2138.612.2111.9F529 V530 C531 D532 F538 R540 D542 R546 H547 T548F529-R544 HydrophobicContact CB-CB 4.07Å; V530-R544 WeakPolarHBondContact O-CD 3.27Å; V530-R544 PolarHBondContact O-NH1 2.97Å; C531-R544 HydrophobicContact CB-CG 4.34Å; D532-R544 IonicContact OD1-CZ 2.66Å; D532-R544 IonicContact OD1-NH1 2.75Å; D532-R544 PolarHBondContact OD1-NH1 3.04Å; D532-R544 IonicContact OD2-CZ 3.69Å; D532-R544 IonicContact OD2-NH1 3.66Å; D532-R544 PolarHBondContact OD2-NH1 3.32Å; D532-R544 IonicContact OD2-NH2 3.42Å; F538-R544 HydrophobicContact CB-CB 4.37Å; F538-R544 HydrophobicContact CD2-CB 4.06Å; F538-R544 HydrophobicContact CD2-CG 4.34Å; F538-R544 HydrophobicContact CG-CB 4.37Å; R540-R544 PolarHBondContact O-N 2.72Å; D542-R544 VanDerWaalsContact C-N 3.33Å; D542-R544 PolarHBondContact O-N 3.07Å; R544-R546 VanDerWaalsContact C-N 3.27Å; R544-R546 PolarHBondContact O-N 2.85Å; R544-H547 CarbonylContact O-C 3.24Å; R544-H547 PolarHBondContact O-N 3.4Å; R544-H547 VanDerWaalsContact O-N 3.15Å; R544-T548 PolarHBondContact O-N 3.06Å; R544-T548 PolarHBondContact O-OG1 2.83Å
545K92.7Very high87.3Confident119 Ų11979.8 Ų79.852%0.51740%0.397SS..Hα-helixtrans-62.9-31.4178.5-70.5159.6-173.2153.70112.9S541 D542 T548S541-K545 VanDerWaalsContact O-CD 3.31Å; S541-K545 WeakPolarHBondContact O-CD 3.18Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.4Å; S541-K545 VanDerWaalsContact O-N 3.12Å; S541-K545 PolarHBondContact OG-NZ 3.22Å; D542-K545 CarbonylContact O-C 3.19Å; D542-K545 PolarHBondContact O-N 3.49Å; K545-T548 PolarHBondContact O-OG1 3.25Å; K545-T548 VanDerWaalsContact O-OG1 3.13Å
546R92.7Very high85.4Confident136 Ų13684.5 Ų84.551%0.51340%0.404SS..Hα-helixtrans-73-37.3175.8-155.9-171.3-42.3121.65.4110.4D542 E543 R544D542-R546 VanDerWaalsContact O-CB 3.27Å; D542-R546 WeakPolarHBondContact O-CB 3.2Å; D542-R546 PolarHBondContact O-N 3.31Å; D542-R546 IonicContact OD2-CZ 3.67Å; D542-R546 IonicContact OD2-NH2 3.73Å; D542-R546 PolarHBondContact OD2-NH2 3.4Å; E543-R546 WeakPolarHBondContact O-CB 3.06Å; E543-R546 PolarHBondContact O-N 3.27Å; R544-R546 VanDerWaalsContact C-N 3.27Å; R544-R546 PolarHBondContact O-N 2.85Å
547H93.1Very high83Confident35 Ų3585.7 Ų85.716%0.16241%0.413CS..Hα-helixtrans-72.3-39.1175.5176.655000113.3C531 C534 F538 E543 R544 K549 V550 H551C531-H547 PolarHBondContact SG-CD2 3.48Å; C534-H547 PolarHBondContact SG-NE2 3.44Å; F538-H547 HydrophobicContact CE1-CB 4.16Å; F538-H547 HydrophobicContact CE2-CB 4.04Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.4Å; F538-H547 AromaticContact CE2-CG 3.86Å; F538-H547 HydrophobicContact CZ-CB 3.59Å; F538-H547 AromaticContact CZ-CD2 3.37Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.41Å; F538-H547 AromaticContact CZ-CG 3.42Å; F538-H547 VanDerWaalsContact CZ-CG 3.42Å; E543-H547 WeakPolarHBondContact O-CB 3.43Å; E543-H547 PolarHBondContact O-N 3.14Å; R544-H547 CarbonylContact O-C 3.24Å; R544-H547 PolarHBondContact O-N 3.4Å; R544-H547 VanDerWaalsContact O-N 3.15Å; H547-K549 PolarHBondContact O-N 3.09Å; H547-V550 WeakPolarHBondContact O-CA 3.35Å; H547-V550 WeakPolarHBondContact O-CB 3.24Å; H547-V550 WeakPolarHBondContact O-CG2 3.31Å; H547-V550 PolarHBondContact O-N 2.92Å; H547-H551 AromaticContact CD2-NE2 3.99Å; H547-H551 AromaticContact CE1-NE2 3.54Å; H547-H551 AromaticContact NE2-NE2 3.19Å; H547-H551 PolarHBondContact NE2-NE2 3.23Å; H547-H551 VanDerWaalsContact NE2-NE2 3.19Å
548T90.2Very high80.3Confident39 Ų3991.7 Ų91.724%0.23944%0.442CS..Hα-helixtrans-62.9-26.917653.20000112.9R544 K545 V550 H551 Q552R544-T548 PolarHBondContact O-N 3.06Å; R544-T548 PolarHBondContact O-OG1 2.83Å; K545-T548 PolarHBondContact O-OG1 3.25Å; K545-T548 VanDerWaalsContact O-OG1 3.13Å; T548-V550 PolarHBondContact O-N 3.39Å; T548-H551 PolarHBondContact O-N 3.47Å; T548-Q552 PolarHBondContact O-N 2.64Å; T548-Q552 VanDerWaalsContact O-N 3.09Å
549K91.5Very high77.5Confident133 Ų13394.8 Ų94.858%0.57847%0.467SS*.Hα-helixtrans-65.4-18.4169.1-68.1180179.1-173.40113.9H547 K553H547-K549 PolarHBondContact O-N 3.09Å; K549-K553 WeakPolarHBondContact O-CG 2.86Å; K549-K553 PolarHBondContact O-N 3.09Å
550V90.4Very high74.7Confident83 Ų83100.1 Ų100.150%0.50349%0.492SS..Hα-helixtrans-72.3-44.2171.5-174.80000109.6H547 T548 Q552 K553 S554H547-V550 WeakPolarHBondContact O-CA 3.35Å; H547-V550 WeakPolarHBondContact O-CB 3.24Å; H547-V550 WeakPolarHBondContact O-CG2 3.31Å; H547-V550 PolarHBondContact O-N 2.92Å; T548-V550 PolarHBondContact O-N 3.39Å; V550-Q552 VanDerWaalsContact C-N 3.32Å; V550-Q552 PolarHBondContact O-N 3.13Å; V550-K553 CarbonylContact O-C 3.53Å; V550-K553 WeakPolarHBondContact O-CA 3.38Å; V550-K553 WeakPolarHBondContact O-CB 3.39Å; V550-K553 PolarHBondContact O-N 3.33Å; V550-S554 PolarHBondContact O-N 2.84Å
551H87.2Confident72Confident33 Ų3399.8 Ų99.815%0.15351%0.505CS..Hα-helixtrans-63.9-35.5174.9-62.3-53.3000112.7I533 C534 H547 T548 K553 S554 N555I533-H551 HydrophobicContact CD1-CB 3.7Å; I533-H551 HydrophobicContact CG2-CB 3.98Å; C534-H551 PolarHBondContact SG-NE2 3.33Å; H547-H551 AromaticContact CD2-NE2 3.99Å; H547-H551 AromaticContact CE1-NE2 3.54Å; H547-H551 AromaticContact NE2-NE2 3.19Å; H547-H551 PolarHBondContact NE2-NE2 3.23Å; H547-H551 VanDerWaalsContact NE2-NE2 3.19Å; T548-H551 PolarHBondContact O-N 3.47Å; H551-K553 VanDerWaalsContact C-N 3.26Å; H551-K553 PolarHBondContact O-N 3.38Å; H551-S554 WeakPolarHBondContact CA-OG 3.5Å; H551-S554 PolarHBondContact O-N 2.77Å; H551-S554 PolarHBondContact O-OG 2.97Å; H551-S554 VanDerWaalsContact O-OG 3.13Å; H551-N555 PolarHBondContact O-N 2.81Å; H551-N555 PolarHBondContact O-ND2 3.47Å
552Q80.5Confident69.3Low143 Ų143104.9 Ų104.967%0.66853%0.528SS*.Hα-helixtrans-62-34.6171.4-169.3-1807.900112.1T548 V550T548-Q552 PolarHBondContact O-N 2.64Å; T548-Q552 VanDerWaalsContact O-N 3.09Å; V550-Q552 VanDerWaalsContact C-N 3.32Å; V550-Q552 PolarHBondContact O-N 3.13Å
553K70.3Confident67.1Low153 Ų153110.1 Ų110.167%0.66556%0.556SS**Hα-helixtrans-81.1-33.7178.3-73.3178.8176.2-169.30113.6K549 V550 H551 N555 Q556K549-K553 WeakPolarHBondContact O-CG 2.86Å; K549-K553 PolarHBondContact O-N 3.09Å; V550-K553 CarbonylContact O-C 3.53Å; V550-K553 WeakPolarHBondContact O-CA 3.38Å; V550-K553 WeakPolarHBondContact O-CB 3.39Å; V550-K553 PolarHBondContact O-N 3.33Å; H551-K553 VanDerWaalsContact C-N 3.26Å; H551-K553 PolarHBondContact O-N 3.38Å; K553-N555 PolarHBondContact O-N 3.38Å; K553-Q556 WeakPolarHBondContact O-CB 3.19Å; K553-Q556 PolarHBondContact O-N 3.38Å
554S60.8Low64.3Low83 Ų83117.4 Ų117.458%0.5859%0.587SS**Hα-helixtrans-69.7-17.3177.160.80000113.4V550 H551 Q556V550-S554 PolarHBondContact O-N 2.84Å; H551-S554 WeakPolarHBondContact CA-OG 3.5Å; H551-S554 PolarHBondContact O-N 2.77Å; H551-S554 PolarHBondContact O-OG 2.97Å; H551-S554 VanDerWaalsContact O-OG 3.13Å; S554-Q556 VanDerWaalsContact C-N 3.26Å
555N56.5Low61.7Low139 Ų139119.4 Ų119.474%0.74361%0.606SS**THydrogen-bonded Turntrans-77.7-7.7168.1-77.9-84.2000113.3H551 K553 K557H551-N555 PolarHBondContact O-N 2.81Å; H551-N555 PolarHBondContact O-ND2 3.47Å; K553-N555 PolarHBondContact O-N 3.38Å; N555-K557 PolarHBondContact O-N 2.94Å
556Q53.5Low58.8Low153 Ų153121.1 Ų121.172%0.71562%0.621SS**SBendtrans-93.893.8167.4-66.7-176.9-29.900109K553 S554 L558K553-Q556 WeakPolarHBondContact O-CB 3.19Å; K553-Q556 PolarHBondContact O-N 3.38Å; S554-Q556 VanDerWaalsContact C-N 3.26Å; Q556-L558 PolarHBondContact O-N 3Å; Q556-L558 VanDerWaalsContact O-N 3.09Å
557K41.1Very low56.3Low178 Ų178119.9 Ų119.977%0.77463%0.628SS**  trans-11.898.3171.1-171.2179.7-176.2179.80114.3N555 S559N555-K557 PolarHBondContact O-N 2.94Å; K557-S559 PolarHBondContact O-N 2.92Å
558L36.5Very low53.5Low166 Ų166124.3 Ų124.387%0.86966%0.658SS**  trans-76.565.6174.1-170.171.4000110.5Q556 N560Q556-L558 PolarHBondContact O-N 3Å; Q556-L558 VanDerWaalsContact O-N 3.09Å; L558-N560 VanDerWaalsContact C-N 3.28Å; L558-N560 PolarHBondContact O-N 3.19Å
559S33.6Very low51.2Low91 Ų91132.9 Ų132.964%0.63669%0.686SS**  trans-88.960.9175.157.90000111.5K557K557-S559 PolarHBondContact O-N 2.92Å
560N33.6Very low48.4Very low134 Ų134131 Ų13172%0.71769%0.689SS**SBendtrans-160157.5154.4-151.4-9.6000111.4L558L558-N560 VanDerWaalsContact C-N 3.28Å; L558-N560 PolarHBondContact O-N 3.19Å
561C35.4Very low45.7Very low96 Ų96132.5 Ų132.565%0.64970%0.701SS**  trans69.379.8174.5-56.20000117L563C561-L563 PolarHBondContact O-N 3.12Å
562D34.7Very low43.2Very low148 Ų148138.6 Ų138.679%0.79173%0.733SS**  trans-57.996.9151.4-82-86.9000111.3
563L46.3Very low40.9Very low147 Ų147137.9 Ų137.977%0.7774%0.738SS**  trans-114.192.7158.6-100.382.3000109.7C561 V565C561-L563 PolarHBondContact O-N 3.12Å; L563-V565 PolarHBondContact O-N 3.04Å
564K35.3Very low39.3Very low190 Ų190135.8 Ų135.883%0.82674%0.743SS**  trans-70.295.7172.2-69.1177.4179.9174.10110.1
565V40.3Very low38.2Very low109 Ų109138.3 Ų138.366%0.66176%0.755SS**  trans-120.689.3170.7-171.90000109.1L563 V567L563-V565 PolarHBondContact O-N 3.04Å; V565-V567 HydrophobicContact CG1-CG2 4.14Å; V565-V567 PolarHBondContact O-N 3.01Å
566N31.3Very low37.2Very low155 Ų155136.2 Ų136.283%0.82975%0.751SS**  trans-70.5111.4172.6-79.5-0.5000109.8
567V40.2Very low36.5Very low109 Ų109136.2 Ų136.266%0.66176%0.756SS**  trans-117.384.1163.4-1750000108.9V565 R569V565-V567 HydrophobicContact CG1-CG2 4.14Å; V565-V567 PolarHBondContact O-N 3.01Å; V567-R569 VanDerWaalsContact C-N 3.29Å; V567-R569 HydrophobicContact CG1-CG 4.09Å; V567-R569 PolarHBondContact O-N 3.17Å
568T33.7Very low36.6Very low128 Ų128132.6 Ų132.679%0.78576%0.76SS**  trans-70.185166.845.40000109.6S570T568-S570 PolarHBondContact O-N 3.16Å
569R41.6Very low36.7Very low220 Ų220134.8 Ų134.883%0.8376%0.762SS**  trans-84.488.2167-98.7-178.5168.4172.3-2.6109.7V567V567-R569 VanDerWaalsContact C-N 3.29Å; V567-R569 HydrophobicContact CG1-CG 4.09Å; V567-R569 PolarHBondContact O-N 3.17Å
570S32.6Very low37.1Very low92 Ų92137.6 Ų137.664%0.64378%0.776SS**  trans-59.6145.2165.2-52.90000110.3T568 I572T568-S570 PolarHBondContact O-N 3.16Å; S570-I572 PolarHBondContact O-N 3.38Å
571P34.7Very low37Very low115 Ų115138.8 Ų138.875%0.74778%0.782SS**  trans-69121.717528.6-33.2000110.1T573P571-T573 PolarHBondContact O-N 3.12Å
572I35.6Very low36.9Very low161 Ų161140.5 Ų140.583%0.82679%0.793SS**  trans-84.793.7174.7-56.5176.2000108.2S570 S574S570-I572 PolarHBondContact O-N 3.38Å; I572-S574 PolarHBondContact O-N 3.1Å
573T32Very low36.7Very low129 Ų129136.9 Ų136.979%0.79179%0.791SS**  trans-84.196.2169.249.80000109.6P571P571-T573 PolarHBondContact O-N 3.12Å
574S35.3Very low36.2Very low108 Ų108139.1 Ų139.176%0.75580%0.798SS**  trans-93.193.1175.657.90000111.3I572I572-S574 PolarHBondContact O-N 3.1Å
575T38.8Very low36.1Very low137 Ų137139.8 Ų139.884%0.8480%0.801SS**  trans-73.6155.5160.247.70000110.4
576S36.2Very low35.8Very low95 Ų95145.9 Ų145.966%0.66481%0.812SS**  trans-86.3-179-172.149.60000114.3
577D37.5Very low35.8Very low152 Ų152143.5 Ų143.581%0.81381%0.808SS**  trans8186.1155.4-55.1-57.9000120
578A43.5Very low35.6Very low103 Ų103144.9 Ų144.985%0.85182%0.816SS**  trans-142123.9140.800000110.1
579K39Very low35.7Very low212 Ų212144.1 Ų144.192%0.92281%0.813SS**  trans-83.7120.8176.5-76.2176.8177.2171.20111.3
580T42.5Very low35.3Very low150 Ų150142.6 Ų142.692%0.9282%0.815SS**  trans-138.6143.6146.242.10000109.8
581N31.7Very low35.5Very low158 Ų158142.8 Ų142.885%0.84582%0.823SS**  trans-112.3119.8-173177.128000110.2
582C32.8Very low35.6Very low132 Ų132143.1 Ų143.189%0.89282%0.822SS**  trans-165.7125.7151-119.50000108.9
583G30.4Very low35.5Very low72 Ų72143.9 Ų143.974%0.74282%0.82SS**  trans-106130.2179.400000111.7
584E35.6Very low35.3Very low195 Ų195143.4 Ų143.491%0.91182%0.821SS**  trans-143.8155.6157.9-126.7-176.1155.800112.4R586E584-R586 PolarHBondContact O-N 3.27Å
585K32.2Very low35.1Very low204 Ų204146.4 Ų146.489%0.88782%0.816SS**  trans-81.4112.8-160.9-59.1166.5-175.2169.80111.5
586R34.3Very low34.7Very low236 Ų236146.8 Ų146.889%0.89181%0.813SS**  trans-150.4120.1161.5-110158.8-151.1-168.35.7114.8E584E584-R586 PolarHBondContact O-N 3.27Å
587S32.1Very low34.5Very low106 Ų106148.9 Ų148.974%0.74182%0.822SS**  trans7.8113.5150.954.50000118.5
588V36.2Very low34.3Very low138 Ų138145.7 Ų145.784%0.83682%0.817SS**  trans-67.1127.81611780000109.2
589P36.2Very low33.9Very low111 Ų111149.8 Ų149.872%0.72182%0.816SS**  trans-70.9138.3171.729.7-33.5000110.3A591P589-A591 PolarHBondContact O-N 2.6Å
590Q33Very low33.8Very low188 Ų188148.7 Ų148.788%0.87981%0.814SS**  trans-65.4103.9174.5-73.1-178.4-16.400110.1T592Q590-T592 PolarHBondContact O-N 2.64Å
591A35.3Very low33.2Very low97 Ų97147.3 Ų147.380%0.80281%0.807SS**  trans-66.1104.5172.200000109.5P589 K593P589-A591 PolarHBondContact O-N 2.6Å; A591-K593 PolarHBondContact O-N 3.48Å
592T37.3Very low33.4Very low121 Ų121151.1 Ų151.174%0.74281%0.81SS**  trans-59.6132.1178.827.40000110.9Q590 C594Q590-T592 PolarHBondContact O-N 2.64Å; T592-C594 VanDerWaalsContact C-N 3.33Å; T592-C594 PolarHBondContact O-N 3.15Å
593K34.5Very low33.6Very low178 Ų178154.7 Ų154.777%0.77481%0.81SS**  trans-70.484-179.8-76.3172.8166.9177.40111.1A591 Y595A591-K593 PolarHBondContact O-N 3.48Å; K593-Y595 HydrophobicContact CB-CD2 4.01Å; K593-Y595 HydrophobicContact CB-CE2 4.19Å; K593-Y595 HydrophobicContact CD-CE2 4.18Å; K593-Y595 HydrophobicContact CG-CE2 4.41Å; K593-Y595 PolarHBondContact O-N 3.14Å
594C26.3Very low33.6Very low119 Ų119159.7 Ų159.780%0.80482%0.819SS**  trans-69.876.8167.9-64.90000110.7T592T592-C594 VanDerWaalsContact C-N 3.33Å; T592-C594 PolarHBondContact O-N 3.15Å
595Y32.2Very low33.7Very low170 Ų170157.8 Ų157.867%0.66781%0.808SS**  trans-74.4129.3164.6-86.9-81.7000109.8K593 T597K593-Y595 HydrophobicContact CB-CD2 4.01Å; K593-Y595 HydrophobicContact CB-CE2 4.19Å; K593-Y595 HydrophobicContact CD-CE2 4.18Å; K593-Y595 HydrophobicContact CG-CE2 4.41Å; K593-Y595 PolarHBondContact O-N 3.14Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å
596D31.1Very low33.8Very low145 Ų145155.2 Ų155.278%0.77580%0.802SS**  trans-68.782.9174.4-79.3-54.9000111.6A598D596-A598 PolarHBondContact O-N 2.85Å
597T31Very low34Very low139 Ų139151.4 Ų151.485%0.85379%0.794SS**  trans-73.539.6175.543.50000113.3Y595Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å
598A33Very low33.8Very low86 Ų86153.9 Ų153.971%0.71180%0.799SS**  trans-105.947.2-173.600000112.9D596D596-A598 PolarHBondContact O-N 2.85Å
599K36Very low34Very low189 Ų189155.8 Ų155.882%0.82280%0.804SS**SBendtrans-155.443.8-174.3-126.4165.4-153.7154.20119.6
600H36.1Very low33.9Very low189 Ų189154.9 Ų154.988%0.87581%0.806SS**  trans-166.797148.2-100.4-65.5000112.8R602H600-R602 PolarHBondContact O-N 3.45Å
601P30.2Very low33.8Very low121 Ų121153.1 Ų153.179%0.78680%0.802SS**  trans-85.8106.4169.231.7-30.4000110.8
602R36.2Very low33.6Very low237 Ų237153.7 Ų153.789%0.89480%0.8SS**  trans-166.9115.9159.9-108.9150.3-162.2-121.1-6113.2H600H600-R602 PolarHBondContact O-N 3.45Å
603K36.2Very low33.4Very low207 Ų207152.8 Ų152.890%0.980%0.799SS**  trans51.778.2161.3-63.4-169.1173.8-170.30117.2
604L31.4Very low33.1Very low177 Ų177150.2 Ų150.293%0.92780%0.798SS**  -77.3139.3126.8-75.8159.8000107.2
605K37.7Very low33.3Very low156 Ų156154 Ų15468%0.67880%0.801SS**  trans-120.3125.5162.7-165.3-178-166.5-79.20106.7E607K605-E607 IonicContact NZ-OE1 2.64Å; K605-E607 PolarHBondContact NZ-OE1 3.49Å; K605-E607 IonicContact NZ-OE2 2.6Å; K605-E607 PolarHBondContact NZ-OE2 3.49Å
606I34.5Very low33.2Very low150 Ų150154 Ų15477%0.76981%0.808SS**  trans-85.2132.6176.7-61161.6000107
607E38.1Very low33.3Very low156 Ų156153 Ų15373%0.72981%0.812SS**  trans-177.263.1161.8-101.1143.2-133.300109.6K605K605-E607 IonicContact NZ-OE1 2.64Å; K605-E607 PolarHBondContact NZ-OE1 3.49Å; K605-E607 IonicContact NZ-OE2 2.6Å; K605-E607 PolarHBondContact NZ-OE2 3.49Å
608D28.7Very low33.2Very low158 Ų158154 Ų15485%0.84581%0.812SS**  trans-87.2112.2156.6-69.5-57000107.6
609L38.7Very low33.2Very low177 Ų177154.8 Ų154.893%0.92781%0.81SS**  trans174.6158.5159.1-101157.3000111.5
610A35.8Very low33Very low92 Ų92153.3 Ų153.376%0.7681%0.81SS**  trans73.382.7172.800000117.3
611D30.2Very low32.5Very low152 Ų152150 Ų15081%0.81381%0.809SS**  trans-55.7158.9156.8-49.2-98.6000113.5
612S31.5Very low32.5Very low108 Ų108149.3 Ų149.376%0.75580%0.802SS**  140.6135.8126.1-64.20000116
613S32.6Very low32.3Very low102 Ų102146.7 Ų146.771%0.71380%0.8SS**  trans50103.8145.961.70000120.2
614T28.8Very low31.9Very low124 Ų124145.9 Ų145.976%0.76180%0.796SS**  17.1121.711855.80000118.5
615F29.7Very low31.9Very low198 Ų198144.2 Ų144.287%0.86879%0.793SS**  -160161.1119.7-119.9-79000111.9
616Q29.2Very low31.4Very low171 Ų171141.1 Ų141.180%0.79979%0.791SS**  trans-83.7134.1175.9-58.8161.9-63.200111.3
617S33.7Very low31.4Very low124 Ų124140 Ų14087%0.86779%0.791SS**  trans-174.6160.4138.428.70000110.5
618N29.1Very low31Very low160 Ų160139.2 Ų139.286%0.85679%0.791SS**  trans-99.7177.7-174.6-127.77.8000111.1
619P34.1Very low31.2Very low102 Ų102137.9 Ų137.966%0.66278%0.784SS**  trans-89.5168.8-145.437.6-41.3000114.7
620L30.4Very low31Very low159 Ų159136.4 Ų136.483%0.83278%0.777SS**  trans-159.5139139.3-107.1154.8000110.2V622L620-V622 HydrophobicContact CD2-CG2 3.92Å
621S26.5Very low30.7Very low120 Ų120135.6 Ų135.684%0.83978%0.778SS**  trans-118.7121.4171.3-56.90000108
622V30.8Very low30.8Very low106 Ų106136.4 Ų136.464%0.64278%0.78SS**  trans-135.5131.4-175.8-176.90000110.4L620L620-V622 HydrophobicContact CD2-CG2 3.92Å
623E31.9Very low30.6Very low181 Ų181136 Ų13685%0.84678%0.778SS**  trans60.6120162.1-71.5171146.600121.5
624K27.2Very low30.7Very low191 Ų191137.2 Ų137.283%0.8378%0.78SS**  trans-64148.6151.1-62.4168.8175.9172.70109.4
625V31.3Very low30.7Very low141 Ų141138.2 Ų138.286%0.85578%0.781SS**  trans-125.6129.4139.9179.80000107.8
626S27Very low30.9Very low92 Ų92137.2 Ų137.264%0.64378%0.779SS**  trans-130.9122.3-177.254.10000110.5
627V33.4Very low30.9Very low126 Ų126134.9 Ų134.976%0.76478%0.779SS**  trans-136.5104173.1-175.40000105.4
628L29.8Very low31Very low140 Ų140135.4 Ų135.473%0.73378%0.776SS**  64.598.174.9-77.4169.8000113.4
629N34.2Very low31.2Very low129 Ų129133.6 Ų133.669%0.6977%0.773SS**  175.1139.1104.3-84.8-11.6000112.4
630D34Very low31Very low147 Ų147137.7 Ų137.779%0.78678%0.783SS**  trans23.6142.9133.1-40.2-33.2000120.9
631G29.1Very low31.3Very low75 Ų75139.5 Ų139.577%0.77379%0.788SS**  cis127.965.83.600000113.8
632I32Very low31.4Very low168 Ų168144.8 Ų144.886%0.86279%0.789SS**  trans-130.4131.8168.9-59.4-179000109.4V634I632-V634 HydrophobicContact CG2-CG2 4.37Å
633S28.4Very low31.5Very low101 Ų101147.2 Ų147.271%0.70680%0.798SS**  trans-121.6131175.2178.90000109.9
634V33.6Very low31.5Very low126 Ų126145.1 Ų145.176%0.76479%0.791SS**  trans-136.3111.5169.6-178.40000108.5I632I632-V634 HydrophobicContact CG2-CG2 4.37Å
635N28.3Very low31.4Very low146 Ų146143.4 Ų143.478%0.78179%0.791SS**  trans-92.1127.4171.4-91.5-67.5000110.3
636Q34.3Very low31.6Very low177 Ų177140.9 Ų140.983%0.82779%0.785SS**  trans-144.3115.3158.2-76.7-161.3-18.900111
637P30.4Very low31.6Very low122 Ų122142.1 Ų142.179%0.79279%0.789SS**  trans-103.9134.9170.235.3-28.2000112.1
638V34.3Very low31.4Very low134 Ų134141.6 Ų141.681%0.81279%0.789SS**  trans-138.7140.8174-178.20000108.8
639P34.7Very low31.5Very low122 Ų122141.6 Ų141.679%0.79279%0.79SS**  trans-103.1-175.9-15540.7-38.2000117.1
640E29.8Very low31.6Very low189 Ų189139.7 Ų139.788%0.88379%0.786SS**  trans-47.8144.2-172.2-49.4176.4134.500117.4
641Q35.7Very low31.7Very low197 Ų197141.2 Ų141.292%0.92179%0.788SS**  trans-135.8136.4150.5-72.3-159.65.400114.2
642R29.5Very low31.9Very low231 Ų231143.9 Ų143.987%0.87279%0.792SS**  trans-59.4151.8-176.2-53.8150.673.6179.37.3114.7
643L32.9Very low32.3Very low156 Ų156139.7 Ų139.782%0.81779%0.79SS**  trans153.6160.7130.7-10186.1000109.6
644L31.3Very low32.4Very low137 Ų137144 Ų14472%0.71780%0.799SS**  cis-173.4130.4-41.5-110.6-177.7000105.7
645L26.4Very low32.4Very low155 Ų155146.6 Ų146.681%0.81281%0.808SS**  trans47.3116145.1-11466.8000123.5
646A33.8Very low32.6Very low89 Ų89146 Ų14674%0.73681%0.81SS**  173.2121.112900000108.3
647T27.3Very low32.2Very low118 Ų118145.6 Ų145.672%0.72481%0.813SS**  cis81.912843.766.40000115.6
648C29Very low32.4Very low114 Ų114148.6 Ų148.677%0.7782%0.815SS**  trans72.7145.7168-61.50000116.6
649D33.3Very low32.2Very low141 Ų141146.5 Ų146.575%0.75481%0.812SS**  cis-162.6-178.4-10-123.9-48.5000113.7
650S36Very low32.1Very low88 Ų88150.7 Ų150.762%0.61582%0.818SS**  trans80.7105.7155.6-650000123
651H35.4Very low32.3Very low179 Ų179147 Ų14783%0.82981%0.811SS**  trans60.7130131.7-56.9-61000124.4
652P34.2Very low32.1Very low132 Ų132143.1 Ų143.186%0.85781%0.805SS**  trans-97.1156163.937.9-32.4000113.6
653G39.2Very low32.4Very low79 Ų79137 Ų13781%0.81480%0.804SS**  trans-135.9159.918000000114.4
654Q32Very low32.4Very low191 Ų191136.6 Ų136.689%0.89381%0.809SS**  trans-63.3146-170.5-64.7166.6-36.200115.2
655L31.8Very low32.5Very low181 Ų181133.2 Ų133.295%0.94881%0.806SS**  trans-136.7126.4149-80.1177.8000109.8
656T33.3Very low32.9Very low133 Ų133134.5 Ų134.582%0.81681%0.813SS**  trans-98.3147.8179.219.10000111.9
657L26.6Very low32.8Very low170 Ų170134.1 Ų134.189%0.8982%0.818SS**  trans-75.5143.9176.7-75.6163.7000112.1
658H33.5Very low33.1Very low184 Ų184132.6 Ų132.685%0.85283%0.826SS**  trans-114.5136.8154.4-92.6-95.3000109.2
659A30.2Very low33.1Very low90 Ų90132.8 Ų132.874%0.74483%0.828SS**  trans-117.3148.7178.600000110.7
660F32.2Very low32.9Very low210 Ų210131.4 Ų131.492%0.92183%0.83SS**  trans-115.6128.5166.1-89.9-83.1000109.5
661P34.4Very low32.5Very low111 Ų111133.5 Ų133.572%0.72184%0.839SS**  trans-103179.9-178.139.4-35.4000113.6
662S31.3Very low32.1Very low116 Ų116132.5 Ų132.581%0.81184%0.838SS**  trans101.6106.9154.6-49.90000118.6
663A36.8Very low32.1Very low102 Ų102131.5 Ų131.584%0.84383%0.834SS**  -158.9146.7123.400000109.2
664T31.9Very low31.9Very low149 Ų149133 Ų13391%0.91483%0.829SS**  trans-138137.1-17250.10000113.5
665G34.4Very low31.9Very low65 Ų65132.4 Ų132.467%0.6783%0.826SS**  trans173120.7167.600000107.7
666L34.7Very low31.8Very low182 Ų182128.8 Ų128.895%0.95382%0.816SS**  55.5113.353.4-52177.8000111.2
667G31.7Very low31.8Very low82 Ų82130.6 Ų130.685%0.84582%0.815SS**  cis164.5173-4.600000110.9
668G32.7Very low32Very low85 Ų85130 Ų13088%0.87681%0.812SS**  trans127.5127170.100000114.9
669S28.8Very low31.8Very low119 Ų119126 Ų12683%0.83280%0.8SS**  trans-105.3136.6178.7-53.70000111.6
670S30.9Very low31.8Very low112 Ų112131 Ų13178%0.78381%0.806SS**  trans-168.9124.9148.6-78.10000106.3
671V26.8Very low31.8Very low132 Ų132125.4 Ų125.480%0.880%0.798SS**  68.5140.957.1-174.80000111.6
672I27.8Very low31.9Very low157 Ų157125.1 Ų125.181%0.80581%0.805SS**  trans92106.2-173.2-53.3170.4000114
673S33.3Very low32.1Very low111 Ų111127.6 Ų127.678%0.77681%0.808SS**  trans-97.5135.8157.3169.70000108.9
674P35.2Very low32.3Very low110 Ų110128 Ų12871%0.71480%0.802SS**  trans-103.7141.3162.534.3-26.9000112.6
675H31.9Very low32.7Very low180 Ų180125 Ų12583%0.83379%0.788SS**  trans-69.4175.3166.5-107.8-110.1000112.4
676S30Very low32.9Very low104 Ų104130 Ų13073%0.72780%0.795SS**  trans107.8115.3165.5-47.30000112.9
677Q33.7Very low33.1Very low171 Ų171125.5 Ų125.580%0.79978%0.779SS**  82.9155.557.3-74.9-168.69.400114.1
678L28.8Very low33.4Very low157 Ų157129.5 Ų129.582%0.82278%0.78SS**  trans87.6145.3173.7-53.7175.1000117.2
679V29.5Very low33.6Very low101 Ų101130.2 Ų130.261%0.61277%0.772SS**  cis-169.3-179.7-38.1114.90000109.1
680F31Very low34.2Very low196 Ų196129 Ų12986%0.8677%0.769SS**  trans88.7139.6172.3-54.7-66.5000116.9
681A31.1Very low34.7Very low92 Ų92129.8 Ų129.876%0.7677%0.769SS**  cis-162.7137.9-18.100000112.7
682A37.6Very low35.5Very low104 Ų104128.8 Ų128.886%0.8677%0.765SS**  trans-160.3135.4150.800000109.6
683L35.4Very low36Very low168 Ų168128.8 Ų128.888%0.8877%0.765SS**  trans-116.4174.5-179.9-82.5161.5000109.1
684P40.6Very low36.2Very low111 Ų111131 Ų13172%0.72177%0.767SS**  cis-122.6-165.36.230.3-5.6000111.5
685S39.9Very low36Very low87 Ų87130.3 Ų130.361%0.60877%0.765SS**  cis-162.6160.824.8-42.30000112.7
686M38.6Very low36.4Very low170 Ų170130 Ų13084%0.83776%0.764SS**  trans66.4145.4163.5-51.8-66.895.500117.7
687S40.1Very low36.5Very low86 Ų86131.1 Ų131.160%0.60177%0.766SS**  cis-170.6125-21.350.80000112
688L36.6Very low36.6Very low167 Ų167130.4 Ų130.487%0.87477%0.768SS**  trans62.6151.7157.3-78.982000118.6
689S38.6Very low36.8Very low100 Ų100128.7 Ų128.770%0.69976%0.764SS**  cis-164.9150.1-7.547.10000113.2
690A40.1Very low37Very low93 Ų93132 Ų13277%0.76977%0.772SS**  trans66.8146.8151.200000119.8
691V41.1Very low36.8Very low129 Ų129129.7 Ų129.778%0.78277%0.768SS**  cis-152.4147.6-13.5121.70000109.4
692P43.8Very low36.7Very low111 Ų111128.9 Ų128.972%0.72176%0.761SS**  trans-105177.7-179.641.1-35.6000113.6
693I39.1Very low36.4Very low156 Ų156130.8 Ų130.880%0.876%0.757SS**  trans-161.1128.1150.4-109151.8000113.4
694L36.7Very low36.2Very low159 Ų159127.4 Ų127.483%0.83274%0.743SS**  trans34163.6149.4-54.3170.5000123.8
695S32.4Very low35.7Very low95 Ų95130.5 Ų130.566%0.66475%0.745SS**  cis168.2172.9-33.2-169.10000108.5
696Q39Very low35.4Very low174 Ų174132.2 Ų132.281%0.81375%0.747SS**  trans73.1121.7176.2-58.4172.5-18.200114.1
697V33.2Very low35.1Very low127 Ų127130.8 Ų130.877%0.7774%0.742SS**  cis69.1105.814.8-165.60000115.4
698N35Very low35Very low156 Ų156131.7 Ų131.783%0.83476%0.755SS**  -162.9167.5129.1-106.7-4.6000112.5
699T33.7Very low34.7Very low120 Ų120128.9 Ų128.974%0.73675%0.749SS**  trans-99.1-159.5-173.348.10000112.5
700E32.7Very low34.7Very low171 Ų171128 Ų12880%0.79976%0.756SS**  trans86.7148.1169.6-53.4-159.4161.900115.7
701I28.5Very low34.1Very low148 Ų148128.4 Ų128.476%0.75975%0.75SS**  cis173.2143.8-31.8-105.7164.3000104.3
702A28.6Very low33.5Very low74 Ų74131.7 Ų131.761%0.61275%0.754SS**  trans65145.7162.400000121
703N30.3Very low32.7Very low145 Ų145130 Ų13078%0.77575%0.749SS**  trans70.6146.5144.8-64.7-9.1000118.3
704T32.1Very low32.2Very low96 Ų96128.6 Ų128.659%0.58975%0.748SS**  cis-164157.91.44.90000112
705F30.3Very low32Very low177 Ų177128.4 Ų128.478%0.77674%0.743SS**  trans64.2156151.6-66.9-50.6000118.5
706N33.2Very low32.1Very low122 Ų122129.4 Ų129.465%0.65275%0.747SS**  cis-146.1160.2-1-134-25.7000115.1
707L31.2Very low31.9Very low140 Ų140129 Ų12973%0.73375%0.745SS**  trans-8.5134.2161.5-95.449.3000120.5
708A38.4Very low31.6Very low105 Ų105125.9 Ų125.987%0.86874%0.738SS**  -146.9125.1103.600000110.2
709S31Very low31.6Very low108 Ų108127.1 Ų127.176%0.75574%0.738SS**  trans-101.1149.8-171-55.90000113.1
710G37.8Very low31.2Very low82 Ų82129.7 Ų129.785%0.84574%0.74SS**  trans-162.649.8-179.500000113.7
711T28.5Very low31.1Very low102 Ų102128.5 Ų128.563%0.62674%0.738SS**  trans-90.3174.8-177.145.80000113.4
712F27.6Very low30.9Very low197 Ų197126.7 Ų126.786%0.86473%0.734SS**  trans82.7140.8170.5-52.6-67.8000116.1
713A28.4Very low31.1Very low75 Ų75129.4 Ų129.462%0.6274%0.743SS**  cis-162.5166.2-11.900000112.4
714T27.3Very low31Very low128 Ų128127.5 Ų127.579%0.78574%0.74SS**  trans23137145.762.40000119.8
715Q32.8Very low31Very low155 Ų155127.3 Ų127.372%0.72474%0.743SS**  -161.2166.550.4-73.2179.7-87.500112.9
716P35Very low31.1Very low116 Ų116125.1 Ų125.175%0.75374%0.744SS**  trans-113.7112.9170.836.3-23.5000114.6
717H34.7Very low31.3Very low166 Ų166124.9 Ų124.977%0.76975%0.75SS**  trans-148.7149.2163.9-61.6-83.7000108.5
718G27.1Very low31.5Very low60 Ų60125.6 Ų125.662%0.61975%0.754SS**  cis128.386.8-4.300000113.8
719H34.5Very low31.6Very low182 Ų182126.6 Ų126.684%0.84375%0.751SS**  trans-160.3132.7161.3-84-65.2000107.3
720F24.7Very low31.6Very low175 Ų175126.3 Ų126.377%0.76875%0.749SS**  54.5126.271.7-74.8-95.1000111.9
721L31.5Very low31.2Very low145 Ų145127.3 Ų127.376%0.75974%0.742SS**  cis-141.3141.340.1-71.2163.7000111
722T25Very low31.3Very low110 Ų110129.5 Ų129.568%0.67575%0.748SS**  33.4127.994.563.50000115
723V32.5Very low31.4Very low132 Ų132124.5 Ų124.580%0.874%0.738SS**  -166118.973.1159.70000107.7
724S26.4Very low31.6Very low104 Ų104128.5 Ų128.573%0.72775%0.749SS**  84.8139.989.9-163.90000118.1
725S33.7Very low31.9Very low93 Ų93127.8 Ų127.865%0.6575%0.749SS**  trans63.7102.215042.20000122.3
726T32.6Very low32Very low130 Ų130125.4 Ų125.480%0.79875%0.75SS**  5.315911557.50000120.1
727P37.3Very low32Very low118 Ų118126 Ų12677%0.76675%0.751SS**  cis-139.2-169.520.440.9-20.9000116.3
728L35.5Very low32.1Very low155 Ų155127.6 Ų127.681%0.81276%0.759SS**  trans-69.6160163.8-73.574.8000111.9
729P40.6Very low32.7Very low125 Ų125128.4 Ų128.481%0.81277%0.768SS**  trans-109.5141.3140.235.2-28.2000111.8
730S31.3Very low32.5Very low102 Ų102127.5 Ų127.571%0.71377%0.769SS**  trans-105.9-171.8168.849.40000110.6
731C28.4Very low32.9Very low103 Ų103125.5 Ų125.570%0.69677%0.771SS**  trans105.2127151.7-63.90000121
732I31.1Very low32.8Very low149 Ų149125 Ų12576%0.76477%0.773SS**  trans84.598.2135.1-65.1166.2000119.6
733S28.6Very low33.3Very low92 Ų92125.9 Ų125.964%0.64378%0.778SS**  trans-5156.214157.80000122.4
734N33.6Very low33.2Very low159 Ų159124.2 Ų124.285%0.8577%0.773SS**  -164.7175.9114.8-94.1-11000113.4
735S32.3Very low33.9Very low113 Ų113127.7 Ų127.779%0.7978%0.777SS**  trans-141.7143-15957.70000115.7
736S35.5Very low33.6Very low105 Ų105130.1 Ų130.173%0.73478%0.783SS**  trans-176.1134155.743.60000108
737T36Very low33.8Very low129 Ų129132.9 Ų132.979%0.79179%0.787SS**  57.3133.165.769.50000112.5
738E35.5Very low33.4Very low198 Ų198133.2 Ų133.293%0.92579%0.787SS**  cis-145.1178.722.7-59.7172.8129.200112.5
739G40.5Very low33.4Very low78 Ų78132.9 Ų132.980%0.80479%0.791SS**  trans150.180160.800000118.2
740N30.1Very low33Very low162 Ų162131.6 Ų131.687%0.86679%0.785SS**  trans-93.7136.6171.4-71.3-47000112.5
741V33.4Very low33Very low134 Ų134132.2 Ų132.281%0.81279%0.79SS**  trans-146.9135.5138.51800000109V743V741-V743 HydrophobicContact CG1-CG2 4.35Å
742V29.2Very low33.3Very low134 Ų134133.3 Ų133.381%0.81279%0.793SS**  trans-110.8129.3170.5174.10000109.2
743V35.2Very low33.2Very low128 Ų128131.3 Ų131.378%0.77679%0.792SS**  trans-136.4125.7158.6-178.60000108.4V741V741-V743 HydrophobicContact CG1-CG2 4.35Å
744S30.2Very low33.8Very low98 Ų98132.9 Ų132.969%0.68580%0.8SS**  trans-103.3135.9170.3170.10000109.3
745Q40.6Very low33.6Very low176 Ų176129.9 Ų129.982%0.82279%0.792SS**  trans-153120.1158.3-115.4170.840.900110.9
746N28.4Very low33.7Very low145 Ų145134.5 Ų134.578%0.77580%0.798SS**  trans-72.8138168.4-71.6-25.8000110.1
747Q37.1Very low33.6Very low187 Ų187133.8 Ų133.887%0.87480%0.798SS**  trans-157.3153.9139.9-119.9150.293.400113.4
748T28.4Very low33.2Very low125 Ų125135.6 Ų135.677%0.76780%0.802SS**  trans-95.4140.6-166.849.40000113
749V35.4Very low33.1Very low149 Ų149134.4 Ų134.490%0.90380%0.8SS**  trans-135135.9153.5-174.70000108.4
750S32.4Very low32.6Very low97 Ų97135.5 Ų135.568%0.67880%0.796SS**  trans-112.5156.6-171.5-51.30000112
751S30.6Very low32.7Very low116 Ų116134.6 Ų134.681%0.81180%0.796SS**  trans64.3154.8169.970.60000114.9
752V35Very low32.7Very low126 Ų126135.5 Ų135.576%0.76480%0.795SS**  cis-145.8144.234.8165.80000110.8
753S28.3Very low33.2Very low107 Ų107134.1 Ų134.175%0.74879%0.789SS**  trans-94.8153.2167.3-47.40000111.7
754P41.3Very low33.1Very low125 Ų125133.1 Ų133.181%0.81279%0.787SS**  trans-111.7131.3151.833.9-25.9000111.7
755S30.3Very low33.3Very low96 Ų96136.7 Ų136.767%0.67179%0.793SS**  trans-93.8-160.4159.7-52.70000109.6
756F34.2Very low33.1Very low209 Ų209135.3 Ų135.392%0.91779%0.786SS**  trans74.6146.2176.2-50.1-76.9000115.2
757A34.5Very low33.4Very low91 Ų91137 Ų13775%0.75279%0.79SS**  cis-159.8164.6-19.400000110.6
758L27.3Very low33.1Very low166 Ų166134.8 Ų134.887%0.86978%0.784SS**  trans-70.3145165.6-73.4158.2000111.3
759I32.9Very low33.5Very low173 Ų173138.4 Ų138.489%0.88779%0.792SS**  trans178.9150.8134-93.4153000109.4
760S28.9Very low33.4Very low101 Ų101139.2 Ų139.271%0.70679%0.788SS**  trans-110.8140.4-173.658.90000114.1
761T33Very low33.4Very low143 Ų143140.2 Ų140.288%0.87780%0.795SS**  trans-155.6171.3154.15.20000113.1
762I33.4Very low33.6Very low154 Ų154140.2 Ų140.279%0.7979%0.791SS**  trans-150.5156.8-154.7-59.5173.4000106.7
763P40.1Very low33.5Very low104 Ų104143.6 Ų143.668%0.67580%0.798SS**  cis-136.5-166.3-27.541.2-22.9000114.9
764S33.1Very low33.5Very low107 Ų107143.4 Ų143.475%0.74880%0.796SS**  trans67.7131.1141.8-63.90000123.5
765Q34.9Very low33.3Very low173 Ų173144.6 Ų144.681%0.80880%0.8SS**  -179.3117.8118.6-91.8-85.1-15.600113.2
766H34.9Very low33.4Very low147 Ų147148.5 Ų148.568%0.68181%0.807SS**  trans31.7124.4134.3-118.5-75.5000122.8
767Q35.2Very low33.5Very low180 Ų180141.7 Ų141.784%0.84180%0.796SS**  178.8175102.8-95.7-175.8900114.3
768N31.2Very low33.7Very low142 Ų142143.6 Ų143.676%0.75980%0.799SS**  trans-83.1175.8-169.7-51.2-26.4000111.7
769E37.4Very low34Very low201 Ų201140.8 Ų140.894%0.93979%0.793SS**  -157.3-174.261.3-84-161.8133.100115.6
770M32.1Very low34.3Very low165 Ų165139.7 Ų139.781%0.81379%0.786SS**  trans-115.5149.9-156.1146.5-172.2139.500112.7
771S33.7Very low34.8Very low119 Ų119140.6 Ų140.683%0.83278%0.783SS**  trans-170.4160.9142.1-85.30000112.7
772T33Very low34.8Very low116 Ų116139.9 Ų139.971%0.71277%0.774SS**  trans-126.1158.5-167.651.60000112.5
773E33.2Very low34.7Very low197 Ų197137.9 Ų137.992%0.92177%0.769SS**  trans-162.5169.3139-116.4166.4-144.300113.5
774C28.8Very low34.3Very low103 Ų103139.4 Ų139.470%0.69677%0.769SS**  trans-138.9154.4-154.5-56.10000114.3
775V37.1Very low34.1Very low150 Ų150138.7 Ų138.791%0.90977%0.765SS**  trans-142.7152.8149.21780000109.4
776H32.5Very low33.8Very low177 Ų177134.5 Ų134.582%0.81975%0.754SS**  trans-114.8158.8-169.5-84.139.8000115
777G37Very low33.5Very low67 Ų67133 Ų13369%0.69176%0.755SS**  trans132.4145.1136.700000117
778T38.2Very low33.1Very low131 Ų131129.9 Ų129.980%0.80475%0.752SS**  cis-164.9136.1-13.234.20000110.1
779S34Very low32.9Very low106 Ų106130.7 Ų130.774%0.74176%0.755SS**  trans61.7151.3147.6-74.40000120.7
780M39.3Very low32.7Very low150 Ų150127.2 Ų127.274%0.73975%0.748SS**  cis-148.71442.1-124.1-176-156.400111.6
781N37.9Very low32.8Very low120 Ų120125.5 Ų125.564%0.64275%0.747SS**  trans68.3134.7141.4-65.6-5.4000121.8
782N32.9Very low33Very low129 Ų129125.3 Ų125.369%0.6974%0.743SS**  cis-169.3159.8-18-130.6-3.1000113.1
783V32Very low33Very low112 Ų112125.6 Ų125.668%0.67974%0.744SS**  trans59.2132.1138.9160.50000118.8
784I32.7Very low33.2Very low135 Ų135124.5 Ų124.569%0.69274%0.741SS**  cis-149.7136.8-2.8-112171.9000105.6
785S27.4Very low33.6Very low93 Ų93124.5 Ų124.565%0.6574%0.74SS**  69.7148.265.5126.50000113.9
786S29.2Very low33.5Very low84 Ų84124.1 Ų124.159%0.58773%0.733SS**  cis-173.2166.9-15.545.60000111.7
787T28.2Very low33.2Very low115 Ų115121.4 Ų121.471%0.70673%0.733SS**  trans60.4115145.845.60000120.3
788C26.3Very low33Very low115 Ų115128.9 Ų128.978%0.77774%0.742SS**  93.1177.973.9-740000113.5
789I28Very low32.5Very low159 Ų159128.9 Ų128.982%0.81574%0.741SS**  trans79.5127.7176-57.6166.4000113.2
790T32.9Very low32.4Very low128 Ų128131.8 Ų131.879%0.78575%0.747SS**  cis-155.7166.7-615.60000111.1
791T33.5Very low31.8Very low130 Ų130136.3 Ų136.380%0.79876%0.756SS**  trans-113.4155.6172.250.50000113.6
792P38.4Very low31.4Very low114 Ų114134.8 Ų134.874%0.7476%0.76SS**  trans-128.4112.4145.814.67000111.4
793T34.4Very low31.1Very low122 Ų122134 Ų13475%0.74877%0.765SS**  63.996.999.2610000117.5
794M36.5Very low31.1Very low174 Ų174136.8 Ų136.886%0.85778%0.775SS**  32.1146.5111.5-80.4-66-179.200119.3
795P37.1Very low31Very low103 Ų103138.4 Ų138.467%0.66978%0.777SS**  -158-179.158.845.1-24.5000120.8
796N36Very low31.5Very low143 Ų143140 Ų14077%0.76579%0.785SS**  trans89.8108.7150.7-66.9-21000121.2
797C25Very low31.7Very low120 Ų120142.8 Ų142.881%0.81179%0.789SS**  trans-75.4156.3157-450000111.3
798Y33.3Very low32Very low224 Ų224143.7 Ų143.788%0.87880%0.797SS**  trans-153130.1142.7-107-72.2000111.7
799T27.8Very low32.3Very low130 Ų130144.5 Ų144.580%0.79880%0.798SS**  trans-90.9141.6166.727.80000110.3
800I32.5Very low32.3Very low168 Ų168144.3 Ų144.386%0.86279%0.794SS**  trans-165.8157.3156.4-106.2149.3000111
801R25.2Very low32.2Very low244 Ų244144.9 Ų144.992%0.92180%0.797SS**  trans-80.6129.9179.8-70.1164.1156.1160.7-10.4113.1
802A30.5Very low32.1Very low88 Ų88148.2 Ų148.273%0.72780%0.796SS**  trans-163.1131.6143.300000106.5
803S27.2Very low31.9Very low113 Ų113148.1 Ų148.179%0.7980%0.796SS**  6089.759.2-58.80000113.1
804L32Very low31.6Very low171 Ų171147.6 Ų147.690%0.89580%0.797SS**  trans-179.6134135.7-97.8159.2000112.1
805F30.5Very low31.3Very low168 Ų168142.6 Ų142.674%0.73779%0.79SS**  trans-78144.4164.5-91.6-113.1000110.1Q807F805-Q807 HydrophobicContact CB-CG 4.14Å; F805-Q807 HydrophobicContact CD1-CG 4.08Å; F805-Q807 HydrophobicContact CG-CG 4.47Å
806P38.2Very low30.8Very low126 Ų126147.2 Ų147.282%0.81880%0.8SS**  trans-87.9100.4145.232.4-25.3000109.1
807Q31.7Very low30.5Very low144 Ų144147.9 Ų147.967%0.67380%0.798SS**  trans-86.1140.7165.7-67.6-166.81300110.1F805 V809F805-Q807 HydrophobicContact CB-CG 4.14Å; F805-Q807 HydrophobicContact CD1-CG 4.08Å; F805-Q807 HydrophobicContact CG-CG 4.47Å; Q807-V809 PolarHBondContact O-N 3.14Å
808P34.5Very low30.6Very low133 Ų133149.6 Ų149.686%0.86479%0.794SS**  trans-71.8105.1163.429.9-31.1000109
809V32.6Very low30.3Very low132 Ų132142.9 Ų142.980%0.878%0.78SS**  trans-72.9144.7179.9175.30000110.7Q807Q807-V809 PolarHBondContact O-N 3.14Å
810Q29.1Very low30.4Very low156 Ų156145 Ų14573%0.72978%0.781SS**  trans-73.1147.4176.6-60.6-177.66.900113
811T31.2Very low30.4Very low140 Ų140141.4 Ų141.486%0.85978%0.776SS**  trans-148111.3141.419.80000110.8
812Y30.8Very low30.6Very low199 Ų199134.1 Ų134.178%0.7876%0.762SS**  trans-79.4150.5153.5-75.5-87.4000108.7
813P34.9Very low31Very low112 Ų112135.5 Ų135.573%0.72776%0.764SS**  -130.614598.937.6-29.5000111.1
814S27.4Very low31Very low111 Ų111139.2 Ų139.278%0.77676%0.762SS**  cis68.8119.246.280.50000113.7
815G30.7Very low30.8Very low69 Ų69140.2 Ų140.271%0.71176%0.759SS**  trans128.980.9-161.400000109.4
816F25.6Very low30.7Very low200 Ų200138.8 Ų138.888%0.87777%0.765SS**  cis58.986.348.9-110.2-73.6000112.1
817H29.8Very low30.1Very low157 Ų157136.8 Ų136.873%0.72776%0.759SS**  -171.2141.1127.3-109.6-115.8000108.5
818H28Very low30.1Very low156 Ų156137.8 Ų137.872%0.72277%0.767SS**  45.3131.9103.1-70.993.8000115.1
819S26.7Very low29.7Very low83 Ų83135.6 Ų135.658%0.5876%0.76SS**  cis-157.6-171.75.1-153.50000113
820Q28.6Very low29.6Very low176 Ų176135.9 Ų135.982%0.82277%0.766SS**  trans-28.7156.6150-52.1134.54.500113.4
821A33.3Very low29.8Very low91 Ų91133.7 Ų133.775%0.75277%0.768SS**  cis-155.7169.230.100000114.4
822S29.2Very low30.3Very low91 Ų91132 Ų13264%0.63676%0.759SS**  trans-82.9145.7157171.10000110.5Y824S822-Y824 PolarHBondContact OG-N 3.4Å
823P39.5Very low30.6Very low117 Ų117129.9 Ų129.976%0.7676%0.762SS**  -107.4140.4127.532.5-28.9000108.3
824Y27.2Very low30.4Very low192 Ų192127.6 Ų127.675%0.75376%0.758SS**  cis64.9101.224.8-91.8-81.5000115.8S822S822-Y824 PolarHBondContact OG-N 3.4Å
825F26.7Very low30.8Very low192 Ų192130.4 Ų130.484%0.84276%0.764SS**  trans36.7101.4142.3-84.6-95.1000119.8
826T29Very low30.9Very low138 Ų138134.1 Ų134.185%0.84777%0.767SS**  -167.5126122.3230000107
827A25.9Very low31.3Very low84 Ų84128.4 Ų128.469%0.69476%0.757SS**  86.9152.561.700000113
828I31.4Very low31.4Very low164 Ų164127.9 Ų127.984%0.84176%0.759SS**  trans71.1101.3-174.8-46.6166.7000111.6
829A25.9Very low31.7Very low88 Ų88129.2 Ų129.273%0.72777%0.766SS**  cis78.5105.44100000114.9
830C31.5Very low31.9Very low137 Ų137130 Ų13093%0.92678%0.778SS**  trans-155.3149.1149.8-110.60000109.3
831S32.4Very low32.1Very low110 Ų110125.1 Ų125.177%0.76977%0.774SS**  trans-136.9-165.9-168-47.60000108.9
832P42.8Very low32.2Very low104 Ų104125.1 Ų125.168%0.67577%0.774SS**  cis-126.6-136.1-44.229.1-6.1000110.2
833D36.1Very low32.2Very low156 Ų156129.2 Ų129.283%0.83478%0.781SS**  trans76.3135.5164.3-52-33.7000118.2
834G30.3Very low31.9Very low63 Ų63132.9 Ų132.965%0.64979%0.785SS**  cis170.9166.6-6.400000113
835L36.2Very low32.3Very low170 Ų170127.8 Ų127.889%0.8978%0.783SS**  trans73.4130-180-48.9170.5000114.6
836N32.8Very low33.2Very low147 Ų147123.8 Ų123.879%0.78678%0.776SS**  cis77.9131.834-153.635.7000112.1
837A34.1Very low33.4Very low80 Ų80124.9 Ų124.966%0.66177%0.774SS**  cis-151.6168.716.700000115.3
838N31.5Very low34Very low146 Ų146129.1 Ų129.178%0.78178%0.783SS**  trans-18.8134.1161.7-51.1-31.3000120.1
839Q35Very low34.3Very low185 Ų185127 Ų12786%0.86478%0.778SS**  175.8126.7123-94162.47.400107.7
840A31.8Very low34.9Very low100 Ų100127.9 Ų127.983%0.82678%0.776SS**  61.9113.959.400000112.7
841G32.3Very low34.9Very low72 Ų72127.3 Ų127.374%0.74277%0.768SS**  cis173.9178.4-400000112.2
842A34.6Very low35.1Very low91 Ų91131.1 Ų131.175%0.75277%0.774SS**  trans65.7142.2178.100000115.6
843F29.7Very low34.9Very low178 Ų178133.7 Ų133.778%0.78178%0.781SS**  cis63.5134.838.5-67.7-78.7000112.7
844F32.6Very low35.2Very low194 Ų194131.8 Ų131.885%0.85178%0.777SS**  cis-133.4-1798.1-98.2-75.3000112
845A36.5Very low35.7Very low84 Ų84132.5 Ų132.569%0.69478%0.777SS**  trans-124.4-157.7171.800000108.6
846P46Very low35.7Very low109 Ų109131.4 Ų131.471%0.70877%0.772SS**  -125.8-149.3-51.931.4-10.8000110.9
847M32.7Very low35.9Very low161 Ų161129.6 Ų129.679%0.79377%0.767SS**  trans94.4113.4161.5-58-64-172.500118.8
848I37.4Very low36Very low173 Ų173131.7 Ų131.789%0.88777%0.771SS**  -157.6163.9115.8-98.7158.2000108
849T38.6Very low36.5Very low120 Ų120131 Ų13174%0.73677%0.772SS**  trans-100-156.1-160.853.80000113.2
850P37.7Very low36.7Very low106 Ų106127.7 Ų127.769%0.68877%0.769SS**  -126.4-166.1-103.538.7-19.6000114.4
851T32Very low37.3Very low124 Ų124126 Ų12676%0.76176%0.762SS**  trans82.5103.4160.9-180000117.5
852Q37.3Very low37.8Very low190 Ų190128.5 Ų128.589%0.88876%0.763SS**  -176.5151.8118.4-101.5176-5.100113.6
853L36.9Very low38.1Very low159 Ų159130.8 Ų130.883%0.83276%0.762SS**  trans-91.1176.3165.6-101.674000109.4
854P43Very low38.5Very low116 Ų116130.1 Ų130.175%0.75377%0.766SS**  cis-135.1-168.4-17.632.7-11.1000113.3
855A40.8Very low39Very low77 Ų77126 Ų12664%0.63676%0.759SS**  133140.1123.500000117.1
856N36.7Very low39.1Very low147 Ų147126.5 Ų126.579%0.78676%0.763SS**  trans68146.7153.6-62.5-9.4000118.1
857T37.7Very low38.7Very low110 Ų110126.2 Ų126.268%0.67576%0.763SS**  cis-156.8124.80.12.90000112.4
858T35.4Very low38.4Very low123 Ų123127.5 Ų127.576%0.75577%0.765SS**  trans49.4161.5130.859.50000124.9
859V41.2Very low38.3Very low132 Ų132127.2 Ų127.280%0.876%0.759SS**  trans94.8130.9160.2-173.40000116.2
860S38.8Very low38.3Very low115 Ų115126.7 Ų126.780%0.80476%0.758SS**  cis-170.6154.2-27.6-95.90000111
861G45.5Very low37.9Very low66 Ų66125.6 Ų125.668%0.6876%0.758SS**  trans101.2144.1155.400000117.4
862T43Very low37.9Very low123 Ų123128.7 Ų128.776%0.75576%0.764SS**  cis-162.6171.9-16.4-11.60000110.5
863D40.6Very low37.8Very low139 Ų139124.4 Ų124.474%0.74376%0.761SS**  trans62.882158.4-48.2-30.9000118.5
864L38.9Very low37.6Very low165 Ų165123.4 Ų123.486%0.86476%0.756SS**  49.5152.565.2-79.9172.6000116
865P41.8Very low37.3Very low107 Ų107124.2 Ų124.270%0.69575%0.754SS**  cis-141-178.5-0.139.6-20.1000117.8
866A38.8Very low37.2Very low94 Ų94128.5 Ų128.578%0.77776%0.761SS**  trans67.1159.3145.700000120.4
867S37.3Very low37.3Very low103 Ų103125.9 Ų125.972%0.7275%0.751SS**  cis-163.3132.4-16.741.50000108.1
868F27.8Very low37.4Very low188 Ų188128 Ų12883%0.82575%0.754SS**  58.1108.680.2-95.9-78000117.9
869H34.5Very low37.4Very low167 Ų167130.3 Ų130.377%0.77375%0.754SS**  trans62.4170160.6-78.1-52.1000118.7
870P39.5Very low37.1Very low109 Ų109129.9 Ų129.971%0.70875%0.751SS**  cis-137.7-179.3-44.340.1-24.4000114.5
871A29.1Very low37.2Very low83 Ų83128.2 Ų128.269%0.68674%0.744SS**  trans68.2132.2143.700000124
872Q32.2Very low36.5Very low190 Ų190130.7 Ų130.789%0.88875%0.746SS**  trans69.4136.5140.7-74-174.9-39.500124
873A33.4Very low36.1Very low100 Ų100128.7 Ų128.783%0.82674%0.743SS**  trans70148.914100000120.2
874N32.8Very low35.7Very low137 Ų137129.6 Ų129.673%0.73375%0.747SS**  cis-168.2179.4-20.8-172.819.5000108.7
875L38Very low35.3Very low133 Ų133124.9 Ų124.970%0.69674%0.739SS**  trans83.6107.7167-49.1169.4000115.4
876Q37.9Very low34.9Very low168 Ų168127.8 Ų127.879%0.78575%0.747SS**  94154.352.5-89.7-156.9-35.200114.2
877P40.2Very low34.6Very low91 Ų91128.4 Ų128.459%0.59175%0.745SS**  cis-139.1-167.4-14.737.8-17.4000115.6
878E39.7Very low34.4Very low156 Ų156128.2 Ų128.273%0.72974%0.742SS**  trans71.9134.3151.1-81.9172.8-164.800120.3
879F35Very low34.6Very low171 Ų171125.1 Ų125.175%0.7574%0.738SS**  cis-129139.4-8.8-94.1-96.9000107.1
880V35.6Very low34.5Very low122 Ų122122.1 Ų122.174%0.73974%0.736SS**  63.812759.5-178.60000111.7
881A39.1Very low34Very low81 Ų81125.5 Ų125.567%0.66975%0.747SS**  cis-130.9145.128.100000111.8
882T32.2Very low34.2Very low117 Ų117128.3 Ų128.372%0.71875%0.75SS**  58.8140.361.167.90000113.8
883A33.8Very low34.1Very low82 Ų82125.4 Ų125.468%0.67875%0.746SS**  cis-168.3170.91.200000108.8
884D32.4Very low34.2Very low157 Ų157124.6 Ų124.684%0.8475%0.746SS**  cis-173.4171.4-26.1-88.6-26.8000107.6
885G30Very low34.4Very low67 Ų67123.8 Ų123.869%0.69175%0.747SS**  trans136.6111.4148.200000120.8
886I33.6Very low34.4Very low168 Ų168123 Ų12386%0.86275%0.75SS**  trans65.9102.9140.4-50.8171.9000118.6
887S32.7Very low34.3Very low106 Ų106121.1 Ų121.174%0.74175%0.75SS**  trans-84.7159.1148.8-170.70000109.6
888P34Very low34.1Very low100 Ų100121.5 Ų121.565%0.64975%0.753SS**  -147.4157.999.738.9-24000117.1
889T31.1Very low33.9Very low123 Ų123121.2 Ų121.276%0.75576%0.756SS**  trans73.5141.4146.442.80000122.6
890S31.8Very low33.8Very low104 Ų104121.9 Ų121.973%0.72776%0.758SS**  trans74.560.3150.7-56.70000119.4L892S890-L892 PolarHBondContact O-N 2.93Å
891L29.2Very low34Very low179 Ų179123.3 Ų123.394%0.93776%0.76SS**  trans-62.2111.2149-79.9159.9000110.4
892L33Very low34Very low143 Ų143125 Ų12575%0.74976%0.762SS**  trans-144121.9163.8-98.7113.9000112.7S890S890-L892 PolarHBondContact O-N 2.93Å
893T31.1Very low34.5Very low129 Ų129125.3 Ų125.379%0.79177%0.767SS**  trans4695.1146.858.40000118.8
894G36Very low34.9Very low82 Ų82129 Ų12985%0.84578%0.775SS**  trans-121.3103.715500000110.3
895T36.9Very low35.3Very low121 Ų121130.3 Ų130.374%0.74279%0.792SS**  trans-83147.6178.942.10000111.8T897T895-T897 PolarHBondContact O-N 3.44Å
896P36.6Very low35.6Very low117 Ų117133.5 Ų133.576%0.7680%0.797SS**  trans-73.5114178.229.2-33.5000111C898P896-C898 PolarHBondContact O-N 3.06Å; P896-C898 VanDerWaalsContact O-N 3.09Å
897T36.3Very low35.7Very low127 Ų127131.6 Ų131.678%0.77979%0.793SS**  trans-80.685.1179.638.90000112T895 I899T895-T897 PolarHBondContact O-N 3.44Å; T897-I899 PolarHBondContact O-N 2.95Å; T897-I899 VanDerWaalsContact O-N 3.13Å
898C34.9Very low35.9Very low99 Ų99133.1 Ų133.167%0.66980%0.796SS**  trans-67.2106.6171.8-65.50000111.4P896 F900P896-C898 PolarHBondContact O-N 3.06Å; P896-C898 VanDerWaalsContact O-N 3.09Å; C898-F900 HydrophobicContact CB-CD2 4.42Å; C898-F900 HydrophobicContact CB-CE2 4.19Å; C898-F900 PolarHBondContact O-N 2.87Å
899I36Very low36Very low151 Ų151135 Ų13577%0.77481%0.805SS**  trans-78.199.4177.9-57.1173.8000109.7T897 I901T897-I899 PolarHBondContact O-N 2.95Å; T897-I899 VanDerWaalsContact O-N 3.13Å; I899-I901 HydrophobicContact CG2-CG1 4.18Å; I899-I901 PolarHBondContact O-N 3.45Å
900F34.3Very low36.3Very low184 Ų184135.8 Ų135.881%0.80781%0.808SS**  trans-81.6104.1170.6-84.4-85.6000111.2C898 T902C898-F900 HydrophobicContact CB-CD2 4.42Å; C898-F900 HydrophobicContact CB-CE2 4.19Å; C898-F900 PolarHBondContact O-N 2.87Å; F900-T902 PolarHBondContact O-N 3.29Å
901I38.2Very low36.6Very low153 Ų153137.9 Ų137.979%0.78581%0.813SS**  trans-82.1104.9168.8-55.5175.8000108.4I899I899-I901 HydrophobicContact CG2-CG1 4.18Å; I899-I901 PolarHBondContact O-N 3.45Å
902T40.6Very low37.1Very low115 Ų115134.9 Ų134.971%0.70681%0.805SS**PPolyproline II helixtrans-86.3133168.851.70000110.6F900F900-T902 PolarHBondContact O-N 3.29Å
903P43Very low37.4Very low125 Ų125134.3 Ų134.381%0.81281%0.809SS**PPolyproline II helixtrans-63.9143.1167.328.2-33.5000110.5
904N40.3Very low37.9Very low159 Ų159134.8 Ų134.885%0.8581%0.81SS**PPolyproline II helixtrans-74.3161179.3-117.7-12.4000111.6
905P42.2Very low38.1Very low184 Ų184139.5 Ų139.5100%1.19581%0.807SS**  trans-840-160.135.6-39.4000116.6

Retrieved 905 of 905 residues in 141.9 ms (Link to these results)