A0A087XMG1_POEFO Loading...

Cleavage and polyadenylation specificity factor subunit 6

AlphaFold DB , UniProt , Accession A0A087XMG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low53.7Low254 Ų254147.9 Ų147.9100%1.25180%0.802SS**  0138.30-73.2131.3167.100107
2A43.1Very low53.8Low101 Ų101141.3 Ų141.384%0.83578%0.782SS**  trans-109.1154.317500000108.5
3D47.4Very low53.9Low166 Ų166141.3 Ų141.389%0.88878%0.78SS**  trans-78.1167-167.8-148.5-140000113.1
4G57.1Low53.9Low62 Ų62138.8 Ų138.864%0.63977%0.77SS**  trans-66.2143.9-175.900000113.7
5V54.9Low53.8Low131 Ų131141.1 Ų141.179%0.79477%0.773SS**  trans-129.7111.8161.1179.10000106.1
6D59.2Low53.6Low142 Ų142143.1 Ų143.176%0.75978%0.775SS**  trans-64.6138.3-174.3-58.9-79.5000112I8D6-I8 VanDerWaalsContact C-N 3.32Å; D6-I8 PolarHBondContact O-N 3.47Å
7H59Low53.4Low177 Ų177145 Ų14582%0.81978%0.778SS**  trans-76.386172.6-70.2-67.8000109.4D9H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 3.49Å
8I52.2Low52.6Low144 Ų144148.2 Ų148.274%0.73878%0.784SS**  trans-72.789172.4-54.5172.2000108.1D6 I10D6-I8 VanDerWaalsContact C-N 3.32Å; D6-I8 PolarHBondContact O-N 3.47Å; I8-I10 HydrophobicContact CG2-CG1 4.42Å; I8-I10 PolarHBondContact O-N 2.9Å
9D59.1Low52.6Low121 Ų121145.8 Ų145.865%0.64778%0.781SS**  trans-73.190.4175.7-87.4-45.2000110.6H7 Y11 A12H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 3.49Å; D9-Y11 PolarHBondContact O-N 3.42Å; D9-A12 WeakPolarHBondContact O-CB 3.22Å; D9-A12 PolarHBondContact O-N 3.18Å
10I61.8Low52.2Low131 Ų131147.9 Ų147.967%0.67279%0.785SS**THydrogen-bonded Turntrans-54.8-8.9179.3-67.9163.8000113.9I8I8-I10 HydrophobicContact CG2-CG1 4.42Å; I8-I10 PolarHBondContact O-N 2.9Å
11Y50.2Low51.9Low198 Ų198148.6 Ų148.678%0.77678%0.784SS**THydrogen-bonded Turntrans-100.7-6.3177.9-74.6-79.8000114.8D9D9-Y11 PolarHBondContact O-N 3.42Å
12A55.3Low52.1Low68 Ų68141.4 Ų141.456%0.56276%0.757SS**SBendtrans-67.4-46.4179.700000112.6D9 V14D9-A12 WeakPolarHBondContact O-CB 3.22Å; D9-A12 PolarHBondContact O-N 3.18Å; A12-V14 VanDerWaalsContact C-N 3.27Å; A12-V14 PolarHBondContact O-N 3.36Å
13D54.9Low52.5Low142 Ų142144.8 Ų144.876%0.75976%0.755SS**THydrogen-bonded Turntrans-77.9-4.2-172-60-43.4000114.5
14V54.1Low52.1Low106 Ų106146.7 Ų146.764%0.64275%0.751SS**THydrogen-bonded Turntrans-94.7-17.9-170.5-167.60000113A12A12-V14 VanDerWaalsContact C-N 3.27Å; A12-V14 PolarHBondContact O-N 3.36Å
15E51.9Low51.7Low173 Ų173148.5 Ų148.581%0.80875%0.752SS**SBendtrans-94.6-17.8-174.6-156.2162.9-174.400113.4
16E51Low51.6Low174 Ų174148.7 Ų148.781%0.81376%0.756SS**SBendtrans-93.5-21-173.2-154.5165.6138.600114.8
17E50.3Low51.2Low175 Ų175149.4 Ų149.482%0.81875%0.754SS**G310 helixtrans-77.5-20.5-178.2-165.8170.1-163.700113.8S19E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.37Å
18F39.3Very low50.7Low202 Ų202149.5 Ų149.589%0.88676%0.755SS**G310 helixtrans-86.614.2-172.1-131.2-89.6000115.6
19S52Low50.6Low104 Ų104150.6 Ų150.673%0.72776%0.757SS**G310 helixtrans-117.910.7-175.2-65.20000115.5E17E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.37Å
20Q44.1Very low50.2Low186 Ų186150.9 Ų150.987%0.86976%0.757SS**  trans-94.397.7171.4-69.2-168.12800111.5
21E46.3Very low50.3Low164 Ų164149.7 Ų149.777%0.76675%0.752SS**  trans-86.4138.2168-166.6-114.6119.100110.4E23E21-E23 PolarHBondContact OE1-N 2.81Å
22P49.8Very low51.1Low103 Ų103147.1 Ų147.167%0.66975%0.751SS**  trans-140.9105.2152.334-16.8000114.3Y24P22-Y24 PolarHBondContact O-N 3.47Å
23E51.4Low50.9Low171 Ų171152.6 Ų152.680%0.79976%0.758SS**  45.178.5129.5-165.683.8-120.300115.5E21E21-E23 PolarHBondContact OE1-N 2.81Å
24Y41.1Very low50.9Low207 Ų207151 Ų15181%0.81275%0.75SS**  trans-94.5136.4166.6-105-104.9000111.4P22P22-Y24 PolarHBondContact O-N 3.47Å
25P48.7Very low51.2Low100 Ų100152.3 Ų152.365%0.64975%0.753SS**  trans-68.4147.6-175.227.3-34.9000112.9H27P25-H27 VanDerWaalsContact C-N 3.28Å; P25-H27 PolarHBondContact O-N 2.92Å
26P51Low51.5Low135 Ų135149.7 Ų149.788%0.87775%0.749SS**SBendtrans-83.651.4-162.835.8-40000114.1
27H51.6Low51.9Low157 Ų157147.3 Ų147.373%0.72774%0.74SS**  trans-130.118.2-174-146.3-61.7000115.7P25P25-H27 VanDerWaalsContact C-N 3.28Å; P25-H27 PolarHBondContact O-N 2.92Å
28E48.6Very low52.1Low179 Ų179142.6 Ų142.684%0.83673%0.727SS**  trans-114.110.5167.9-66.6-164155.800113.8I30E28-I30 PolarHBondContact O-N 3.18Å
29Q49.1Very low52.3Low167 Ų167138.6 Ų138.678%0.7872%0.721SS**  trans-78.455166.7-161.4177.4-13.600111.4
30I51.3Low51.9Low127 Ų127139.3 Ų139.365%0.65173%0.726SS**  trans-95.696.7164.2-65.1171.2000105E28 L32E28-I30 PolarHBondContact O-N 3.18Å; I30-L32 PolarHBondContact O-N 3.17Å
31D64.6Low51.8Low106 Ų106135 Ų13557%0.56772%0.722SS**  trans-64104.2-172.4-91.3-53.4000111.3Y33 D34D31-Y33 PolarHBondContact O-N 2.91Å; D31-D34 PolarHBondContact O-N 2.59Å
32L66.3Low52Low143 Ų143133.9 Ų133.975%0.74972%0.722SS**THydrogen-bonded Turntrans-63.616.5178-151.678.8000114.3I30I30-L32 PolarHBondContact O-N 3.17Å
33Y50.4Low51.8Low184 Ų184136.5 Ų136.572%0.72273%0.73SS**THydrogen-bonded Turntrans-111.9-17.4176.9-102.1-90.3000113.5D31D31-Y33 PolarHBondContact O-N 2.91Å
34D56.9Low51.5Low108 Ų108131.9 Ų131.958%0.57873%0.729SS**THydrogen-bonded Turntrans-79.3-41.6-178.4-158.246.9000112D31 V36 I37 S38D31-D34 PolarHBondContact O-N 2.59Å; D34-V36 PolarHBondContact O-N 2.68Å; D34-I37 PolarHBondContact O-N 2.96Å; D34-S38 PolarHBondContact O-N 3.01Å
35D58.6Low51.3Low134 Ų134130.1 Ų130.172%0.71773%0.733SS**THydrogen-bonded Turntrans-54.4-25.4172.9-77.2-32.3000113.8
36V59.8Low51Low117 Ų117129.2 Ų129.271%0.70973%0.734SS**THydrogen-bonded Turntrans-95-11.1-175.1-1650000112D34D34-V36 PolarHBondContact O-N 2.68Å
37I58.2Low51Low124 Ų124128 Ų12864%0.63673%0.726SS**THydrogen-bonded Turntrans-115.3-27.1-176.1-66.8-176.8000112.6D34 P39D34-I37 PolarHBondContact O-N 2.96Å; I37-P39 WeakPolarHBondContact O-CD 3.49Å
38S55.6Low51.1Low77 Ų77129.6 Ų129.654%0.53873%0.734SS.*  trans-66110.4176.2-83.70000113D34D34-S38 PolarHBondContact O-N 3.01Å
39P43.5Very low50.9Low117 Ų117128.1 Ų128.176%0.7673%0.732SS**  trans-74.8131.6173.432.4-32.2000109.5I37 A41I37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-A41 PolarHBondContact O-N 2.93Å
40S43Very low51.1Low119 Ų119131.1 Ų131.183%0.83274%0.736SS**  trans-39.5104.5-173.9-175.80000114.4N42S40-N42 PolarHBondContact O-N 2.68Å; S40-N42 VanDerWaalsContact O-N 3.11Å
41A41.3Very low50.6Low96 Ų96132.2 Ų132.279%0.79374%0.743SS**  trans-77.990.1169.900000108.9P39 N43P39-A41 PolarHBondContact O-N 2.93Å; A41-N43 PolarHBondContact O-N 3.47Å
42N51.8Low49.6Very low141 Ų141137.5 Ų137.575%0.75476%0.756SS**  trans-60.499.8173.7172.8100.4000110.8S40S40-N42 PolarHBondContact O-N 2.68Å; S40-N42 VanDerWaalsContact O-N 3.11Å
43N44.2Very low48.7Very low157 Ų157139.1 Ų139.184%0.8477%0.765SS**  trans-160132.6145.7-81.9-45.9000106.3A41A41-N43 PolarHBondContact O-N 3.47Å
44G46.6Very low48.3Very low75 Ų75137.7 Ų137.777%0.77377%0.77SS**  trans-106.9150.2-174.800000113
45D36.8Very low47.7Very low170 Ų170137.8 Ų137.891%0.90978%0.779SS**  trans-144.1175143.4-146.2-86000108.6
46A42.8Very low46.9Very low81 Ų81139.2 Ų139.267%0.66979%0.786SS**  trans-104.6-176.3-162.500000112.1
47P50.7Low46.2Very low109 Ų109139 Ų13971%0.70879%0.787SS**  cis-134.5160.917.442.2-24.2000118.5
48E53.3Low45.9Very low190 Ų190138.1 Ų138.189%0.88880%0.798SS**  trans18.598.9138.1-56176.212900119.7
49D43.3Very low45.4Very low148 Ų148140.7 Ų140.779%0.79181%0.813SS**  trans-142106.4136.6-160.2-40.3000108.2
50R53.6Low45.2Very low231 Ų231138.8 Ų138.887%0.87282%0.815SS**  trans-141.916.4-167.8-148.7-168.5167.378.69114.5
51D42Very low45.2Very low150 Ų150136.6 Ų136.680%0.80281%0.811SS**  trans-12320.8-163.6-68-85.3000114.1
52Y43.6Very low45.2Very low216 Ų216137.8 Ų137.885%0.84781%0.813SS**SBendtrans-125.222.4-174.2-132.6-91.3000117.3
53L46.3Very low44.4Very low177 Ų177140.1 Ų140.193%0.92782%0.82SS**SBendtrans-146.239.9171.3-150.571.6000115.7
54D42.8Very low44.4Very low155 Ų155136.6 Ų136.683%0.82982%0.82SS**  trans-124.373.4164.8-157.9138.7000110.8
55S44.7Very low43.9Very low109 Ų109136.2 Ų136.276%0.76282%0.817SS**SBendtrans-162.293.9167.3-86.40000113.5
56L41.2Very low44.3Very low164 Ų164138.6 Ų138.686%0.85982%0.819SS**  trans70.7174.5156.2-42.6-179.1000115.7
57P44.8Very low43.9Very low114 Ų114140 Ų14074%0.7482%0.824SS**  -124.5162.6-82.236.4-21.9000113.8P59P57-P59 WeakPolarHBondContact O-CD 3.45Å
58A52.3Low43.9Very low104 Ų104138.6 Ų138.686%0.8682%0.822SS**  trans-67.5125.6-173.800000114.4
59P44.9Very low43.4Very low131 Ų131135.4 Ų135.485%0.85182%0.817SS**  trans-93.4169.9164.637.8-32.8000111.5P57P57-P59 WeakPolarHBondContact O-CD 3.45Å
60G39Very low43.3Very low78 Ų78133.3 Ų133.380%0.80481%0.812SS**  trans-156153.9169.600000113.2
61G43.1Very low43Very low73 Ų73127.7 Ų127.775%0.75380%0.799SS**  trans109.6121.8170.100000114.8
62S42Very low43.4Very low121 Ų121124.1 Ų124.185%0.84678%0.783SS**  trans65.3162.1168.7-61.80000115.7
63E34.7Very low43.8Very low190 Ų190118.3 Ų118.389%0.88877%0.769SS**  cis-134.4-173.41.638.6-147.681.500112.9
64G45Very low44Very low82 Ų82113.2 Ų113.285%0.84574%0.738SS**  trans-85.6117.1-15700000117.1
65G35Very low44.2Very low68 Ų68111.5 Ų111.570%0.70173%0.734SS**  trans-92.1142.6159.400000112.6S67G65-S67 PolarHBondContact O-N 2.84Å
66K45.6Very low44Very low219 Ų219114.6 Ų114.695%0.95273%0.73SS**  trans-70.490.2178.6-68.3173.6-177.8168.40111
67S34Very low44.2Very low111 Ų111113.4 Ų113.478%0.77673%0.73SS**PPolyproline II helixtrans-74.6132.3-178.246.20000113.2G65G65-S67 PolarHBondContact O-N 2.84Å
68A49.8Very low44.8Very low80 Ų80110.4 Ų110.466%0.66172%0.719SS**PPolyproline II helixtrans-55.6154.1160.600000110.1P70A68-P70 VanDerWaalsContact O-N 3.16Å
69P43Very low45.6Very low123 Ų123113.9 Ų113.980%0.79972%0.715SS**SBendtrans-52.2125.7-177.821.3-34000110.2N71P69-N71 PolarHBondContact O-N 3.32Å
70P41.3Very low47.4Very low104 Ų104113.1 Ų113.168%0.67570%0.695SS**PPolyproline II helixtrans-60.8131.5-165.221.8-33.3000110.5A68 V72A68-P70 VanDerWaalsContact O-N 3.16Å; P70-V72 WeakPolarHBondContact O-CG2 3.21Å; P70-V72 PolarHBondContact O-N 3.32Å
71N48.1Very low49.8Very low113 Ų113111.5 Ų111.560%0.60467%0.667SS**  trans-64.898.5168.5-178.219.5000107.6P69 V73P69-N71 PolarHBondContact O-N 3.32Å; N71-V73 PolarHBondContact O-N 3.36Å
72V49.4Very low52Low75 Ų75108.4 Ų108.446%0.45564%0.635SS.*  trans-74.873.2-166.1-165.60000111.8P70 Y74P70-V72 WeakPolarHBondContact O-CG2 3.21Å; P70-V72 PolarHBondContact O-N 3.32Å; V72-Y74 HydrophobicContact CG1-CD2 3.46Å; V72-Y74 VanDerWaalsContact CG1-CD2 3.46Å; V72-Y74 HydrophobicContact CG1-CE2 3.82Å; V72-Y74 HydrophobicContact CG1-CG 4.08Å; V72-Y74 PolarHBondContact O-N 3.22Å; V72-Y74 VanDerWaalsContact O-N 3.13Å
73V53.7Low54.5Low94 Ų94102.8 Ų102.857%0.5760%0.595SS**  trans-68.6101.7157.7179.10000106.5N71 T75N71-V73 PolarHBondContact O-N 3.36Å; V73-T75 VanDerWaalsContact C-N 3.25Å; V73-T75 HydrophobicContact CG1-CG2 3.98Å; V73-T75 PolarHBondContact O-N 3.48Å; V73-T75 PolarHBondContact O-OG1 2.64Å
74Y48.9Very low57.4Low69 Ų6994.6 Ų94.627%0.27156%0.556SS.*  trans-77.463.2-168-130.9-61.2000112.8V72 Y76 R80 A82V72-Y74 HydrophobicContact CG1-CD2 3.46Å; V72-Y74 VanDerWaalsContact CG1-CD2 3.46Å; V72-Y74 HydrophobicContact CG1-CE2 3.82Å; V72-Y74 HydrophobicContact CG1-CG 4.08Å; V72-Y74 PolarHBondContact O-N 3.22Å; V72-Y74 VanDerWaalsContact O-N 3.13Å; Y74-Y76 VanDerWaalsContact C-N 3.35Å; Y74-Y76 PolarHBondContact O-N 2.99Å; Y74-R80 VanDerWaalsContact O-O 3.11Å; Y74-A82 HydrophobicContact CD2-CB 4.36Å
75T47.4Very low59.7Low120 Ų12090.7 Ų90.774%0.73652%0.516SS*.  trans-95.735.3-178.6430000113.7V73 T77V73-T75 VanDerWaalsContact C-N 3.25Å; V73-T75 HydrophobicContact CG1-CG2 3.98Å; V73-T75 PolarHBondContact O-N 3.48Å; V73-T75 PolarHBondContact O-OG1 2.64Å; T75-T77 PolarHBondContact O-N 2.86Å
76Y40.2Very low62.5Low174 Ų17487.4 Ų87.468%0.68248%0.483SS*.  trans-77.187.9-173-117.3-84000113.9Y74 G78Y74-Y76 VanDerWaalsContact C-N 3.35Å; Y74-Y76 PolarHBondContact O-N 2.99Å; Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.83Å
77T46.3Very low64.8Low139 Ų13979.7 Ų79.785%0.85345%0.452SS*.SBendtrans45.943.715262.30000116.2T75T75-T77 PolarHBondContact O-N 2.86Å
78G56.8Low67.7Low51 Ų5175 Ų7553%0.52642%0.418SS..SBendtrans141.8119.1-170.900000107.8Y76 R80Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.83Å; G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.4Å
79K69.1Low69.8Low177 Ų17772 Ų7277%0.7739%0.391SS*.  trans-68.865.7-154.5-60.4-175.5179.2-174.80115.7
80R82.9Confident72.1Confident115 Ų11573.6 Ų73.643%0.43438%0.381SS..  trans-69.4133165.2-55.9-169.2179.9-153.9-1.2108.7Y74 G78 L110 V131Y74-R80 VanDerWaalsContact O-O 3.11Å; G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.4Å; R80-L110 HydrophobicContact CB-CD1 4.13Å; R80-L110 HydrophobicContact CG-CD1 3.59Å; R80-V131 CarbonylContact C-O 3.57Å; R80-V131 WeakPolarHBondContact CA-O 3.37Å
81I88.5Confident74.6Confident43 Ų4375 Ų7522%0.22137%0.373CS..EExtended strand (participates in β ladder)trans-121119.1-179.1-65.7163.3000107.8L83 V131 E134I81-L83 HydrophobicContact CG2-CD2 4.43Å; I81-V131 HydrophobicContact CB-CG2 4.08Å; I81-V131 HydrophobicContact CG2-CG2 4.5Å; I81-V131 PolarHBondContact N-O 3.01Å; I81-V131 WeakPolarHBondContact O-CG2 3.47Å; I81-V131 PolarHBondContact O-N 2.86Å; I81-E134 HydrophobicContact CD1-CB 3.72Å; I81-E134 HydrophobicContact CD1-CG 3.85Å
82A91.3Very high76.7Confident8 Ų870 Ų707%0.06635%0.347CS..EExtended strand (participates in β ladder)trans-90136.7175.400000110.7Y74 L128 V129 C159Y74-A82 HydrophobicContact CD2-CB 4.36Å; A82-L128 HydrophobicContact CB-CD1 4.21Å; A82-L128 HydrophobicContact CB-CD2 4.45Å; A82-L128 HydrophobicContact CB-CG 4.33Å; A82-V129 WeakPolarHBondContact CA-O 3.2Å; A82-C159 HydrophobicContact CB-CB 3.76Å; A82-C159 WeakPolarHBondContact O-CB 3.17Å; A82-C159 PolarHBondContact O-N 2.86Å
83L93.5Very high78.8Confident3 Ų369.3 Ų69.32%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-126.8149.1171.8-62.1-178.4000109.8I81 L128 V129 L140 M141 V156I81-L83 HydrophobicContact CG2-CD2 4.43Å; L83-L128 CarbonylContact O-C 3.52Å; L83-L128 VanDerWaalsContact O-CA 3.32Å; L83-L128 WeakPolarHBondContact O-CA 3.21Å; L83-V129 PolarHBondContact N-O 3.22Å; L83-V129 PolarHBondContact O-N 2.84Å; L83-L140 HydrophobicContact CD1-CB 3.96Å; L83-L140 HydrophobicContact CD1-CD1 3.77Å; L83-M141 HydrophobicContact CD1-CE 4.45Å; L83-M141 HydrophobicContact CD2-CE 3.42Å; L83-M141 VanDerWaalsContact CD2-CE 3.42Å; L83-V156 HydrophobicContact CB-CG1 4.45Å; L83-V156 HydrophobicContact CD1-CG1 3.92Å
84Y95.4Very high80.6Confident18 Ų1869.5 Ų69.57%0.07134%0.341CS..EExtended strand (participates in β ladder)trans-91.9139.6163-68.1-67.6000109.6F115 A127 L128 V156 T157 C159 L164Y84-F115 HydrophobicContact CD1-CE2 4.37Å; Y84-F115 AromaticContact CE1-CE2 3.85Å; Y84-F115 HydrophobicContact CE1-CE2 3.85Å; Y84-F115 AromaticContact CE1-CZ 3.96Å; Y84-F115 HydrophobicContact CE1-CZ 3.96Å; Y84-A127 WeakPolarHBondContact CA-O 3.45Å; Y84-L128 HydrophobicContact CD1-CB 4.05Å; Y84-L128 HydrophobicContact CE1-CB 3.95Å; Y84-L128 HydrophobicContact CE1-CD1 3.92Å; Y84-L128 HydrophobicContact CE1-CG 4.42Å; Y84-V156 CarbonylContact O-C 3.51Å; Y84-V156 WeakPolarHBondContact O-CA 3.15Å; Y84-T157 PolarHBondContact N-O 3.11Å; Y84-T157 PolarHBondContact O-N 3.19Å; Y84-C159 HydrophobicContact CE2-CB 4.32Å; Y84-L164 HydrophobicContact CE1-CD1 4.08Å; Y84-L164 HydrophobicContact CE2-CB 4.16Å
85I94.2Very high82.7Confident0 Ų072.7 Ų72.70%036%0.358CS..EExtended strand (participates in β ladder)trans-126.1110.9171.3-52.8-179.2000106.8L88 L97 I101 F126 A127 V129 L144 P154 I155 V156I85-L88 HydrophobicContact CG2-CD1 4.39Å; I85-L88 HydrophobicContact CG2-CD2 4.26Å; I85-L97 HydrophobicContact CD1-CD1 4.06Å; I85-L97 HydrophobicContact CG2-CD1 4.21Å; I85-I101 HydrophobicContact CD1-CD1 4.47Å; I85-F126 CarbonylContact O-C 3.57Å; I85-F126 VanDerWaalsContact O-CA 3.24Å; I85-F126 WeakPolarHBondContact O-CA 3.16Å; I85-F126 WeakPolarHBondContact O-CB 3.36Å; I85-A127 PolarHBondContact N-O 3.08Å; I85-A127 PolarHBondContact O-N 3.3Å; I85-V129 HydrophobicContact CD1-CB 4.22Å; I85-V129 HydrophobicContact CD1-CG2 3.63Å; I85-V129 HydrophobicContact CG1-CG2 4.21Å; I85-L144 HydrophobicContact CD1-CD2 4.05Å; I85-L144 HydrophobicContact CG2-CD2 3.6Å; I85-P154 HydrophobicContact CG2-CB 4.02Å; I85-I155 WeakPolarHBondContact CA-O 3.47Å; I85-V156 HydrophobicContact CG1-CG2 4.25Å; I85-V156 HydrophobicContact CG2-CG2 4.42Å
86G94.1Very high84.9Confident0 Ų069.2 Ų69.20%034%0.335CS..EExtended strand (participates in β ladder)trans-121.2-167.8-179.600000113.3L88 G125 P154 I155G86-L88 PolarHBondContact O-N 3.02Å; G86-G125 WeakPolarHBondContact CA-O 3.13Å; G86-P154 CarbonylContact O-C 3.54Å; G86-P154 WeakPolarHBondContact O-CA 3.31Å; G86-I155 PolarHBondContact N-O 3.36Å; G86-I155 PolarHBondContact O-N 3.23Å
87N93.8Very high87.4Confident57 Ų5761 Ų6131%0.30530%0.303SS..SBendtrans54.635.2-166.6-159.354.5000113.2G125 Q152 N153 I155N87-G125 PolarHBondContact N-O 2.67Å; N87-Q152 PolarHBondContact ND2-OE1 3.28Å; N87-Q152 VanDerWaalsContact ND2-OE1 3.15Å; N87-Q152 WeakPolarHBondContact O-CB 3.43Å; N87-N153 PolarHBondContact ND2-O 2.95Å; N87-I155 HydrophobicContact CB-CB 4.42Å; N87-I155 HydrophobicContact CB-CD1 3.93Å; N87-I155 HydrophobicContact CB-CG1 3.82Å
88L93.3Very high89.6Confident13 Ų1355.6 Ų55.67%0.06827%0.27CS..  trans-91153.3172.3-53.6-180000110I85 G86 T92 L97 F114 G125 L149 P154I85-L88 HydrophobicContact CG2-CD1 4.39Å; I85-L88 HydrophobicContact CG2-CD2 4.26Å; G86-L88 PolarHBondContact O-N 3.02Å; L88-T92 HydrophobicContact CB-CG2 4.35Å; L88-T92 HydrophobicContact CD1-CG2 4.4Å; L88-T92 HydrophobicContact CD2-CG2 4.44Å; L88-L97 HydrophobicContact CD1-CD2 4.37Å; L88-F114 HydrophobicContact CD1-CE1 4.26Å; L88-G125 WeakPolarHBondContact CB-O 3.34Å; L88-G125 PolarHBondContact N-O 3.39Å; L88-G125 WeakPolarHBondContact O-CA 3.27Å; L88-L149 HydrophobicContact CD2-CD1 3.87Å; L88-P154 HydrophobicContact CD2-CB 3.69Å
89T93.6Very high91.3Very high15 Ų1559.1 Ų59.19%0.09227%0.273CS..  trans-74.1154.9172.270.40000110W91 T92 H150 Q152T89-W91 VanDerWaalsContact CB-CE2 3.47Å; T89-W91 HydrophobicContact CG2-CH2 4.12Å; T89-W91 HydrophobicContact CG2-CZ2 3.59Å; T89-W91 PolarHBondContact O-N 3.16Å; T89-W91 VanDerWaalsContact O-N 3.12Å; T89-W91 VanDerWaalsContact OG1-CD1 3.24Å; T89-W91 VanDerWaalsContact OG1-CE2 3.23Å; T89-W91 PolarHBondContact OG1-NE1 3.3Å; T89-W91 VanDerWaalsContact OG1-NE1 3.1Å; T89-T92 PolarHBondContact N-OG1 2.88Å; T89-T92 VanDerWaalsContact N-OG1 3.12Å; T89-T92 WeakPolarHBondContact O-CB 3.48Å; T89-T92 PolarHBondContact O-N 2.9Å; T89-T92 PolarHBondContact O-OG1 3.06Å; T89-T92 PolarHBondContact OG1-N 3.12Å; T89-T92 VanDerWaalsContact OG1-N 3.16Å; T89-T92 PolarHBondContact OG1-OG1 2.87Å; T89-H150 HydrophobicContact CG2-CB 3.8Å; T89-Q152 HydrophobicContact CG2-CG 4.16Å
90W93.1Very high92.4Very high158 Ų15851.2 Ų51.260%0.59824%0.24SC*.THydrogen-bonded Turntrans-67.9-11.5178.960.8-103.8000113.5Q122 S123W90-Q122 HydrophobicContact CB-CG 4.21Å; W90-S123 WeakPolarHBondContact CB-O 3.47Å
91W92.2Very high92.8Very high133 Ų13345.8 Ų45.850%0.50422%0.22SC..THydrogen-bonded Turntrans-101.22171.963.779.9000114.1T89 T93 H150T89-W91 VanDerWaalsContact CB-CE2 3.47Å; T89-W91 HydrophobicContact CG2-CH2 4.12Å; T89-W91 HydrophobicContact CG2-CZ2 3.59Å; T89-W91 PolarHBondContact O-N 3.16Å; T89-W91 VanDerWaalsContact O-N 3.12Å; T89-W91 VanDerWaalsContact OG1-CD1 3.24Å; T89-W91 VanDerWaalsContact OG1-CE2 3.23Å; T89-W91 PolarHBondContact OG1-NE1 3.3Å; T89-W91 VanDerWaalsContact OG1-NE1 3.1Å; W91-T93 PolarHBondContact O-N 3.4Å; W91-H150 AromaticContact CD1-CG 3.97Å; W91-H150 AromaticContact CD1-ND1 3.93Å; W91-H150 AromaticContact NE1-CG 3.52Å; W91-H150 AromaticContact NE1-ND1 3.59Å
92T92.1Very high93Very high7 Ų750.6 Ų50.64%0.04324%0.235CC..  trans-66.4125.9171.5-580000109.3L88 T89 D96 H150L88-T92 HydrophobicContact CB-CG2 4.35Å; L88-T92 HydrophobicContact CD1-CG2 4.4Å; L88-T92 HydrophobicContact CD2-CG2 4.44Å; T89-T92 PolarHBondContact N-OG1 2.88Å; T89-T92 VanDerWaalsContact N-OG1 3.12Å; T89-T92 WeakPolarHBondContact O-CB 3.48Å; T89-T92 PolarHBondContact O-N 2.9Å; T89-T92 PolarHBondContact O-OG1 3.06Å; T89-T92 PolarHBondContact OG1-N 3.12Å; T89-T92 VanDerWaalsContact OG1-N 3.16Å; T89-T92 PolarHBondContact OG1-OG1 2.87Å; T92-D96 HydrophobicContact CG2-CB 4.13Å; T92-H150 PolarHBondContact OG1-CD2 3.33Å
93T93.6Very high93Very high61 Ų6153.4 Ų53.437%0.37425%0.254SS..  trans-91.3166.8-177.962.10000112.6W91 E95 D96 L97W91-T93 PolarHBondContact O-N 3.4Å; T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact OG1-N 2.86Å; T93-D96 PolarHBondContact N-OD2 3.42Å; T93-D96 PolarHBondContact OG1-N 2.86Å; T93-D96 PolarHBondContact OG1-OD2 2.9Å; T93-L97 PolarHBondContact O-N 3.31Å
94D92Very high92.8Very high99 Ų9954.3 Ų54.353%0.52926%0.259SS..Hα-helixtrans-64.6-31.7166.562.7-62.8000112T98 F114D94-T98 VanDerWaalsContact O-CB 3.29Å; D94-T98 WeakPolarHBondContact O-CB 3.48Å; D94-T98 PolarHBondContact O-N 2.87Å; D94-T98 PolarHBondContact O-OG1 3.25Å; D94-F114 HydrophobicContact CB-CE2 3.75Å
95E93.6Very high92.5Very high135 Ų13556.2 Ų56.263%0.63128%0.284SS*.Hα-helixtrans-66.1-48.7175.2-173.5159.7-14000111.6T93 L97 T98 E99T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact OG1-N 2.86Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.68Å; E95-T98 PolarHBondContact O-N 3.36Å; E95-E99 PolarHBondContact O-N 3.46Å
96D93Very high92.2Very high48 Ų4856.4 Ų56.426%0.25729%0.285SS..Hα-helixtrans-54.2-49.2173.9-64.5-57.5000111.2T92 T93 E99 A100 H150T92-D96 HydrophobicContact CG2-CB 4.13Å; T93-D96 PolarHBondContact N-OD2 3.42Å; T93-D96 PolarHBondContact OG1-N 2.86Å; T93-D96 PolarHBondContact OG1-OD2 2.9Å; D96-E99 PolarHBondContact O-N 2.88Å; D96-A100 WeakPolarHBondContact O-CB 3.29Å; D96-A100 PolarHBondContact O-N 3.38Å; D96-H150 IonicContact OD1-CE1 2.67Å; D96-H150 IonicContact OD1-NE2 3.22Å; D96-H150 PolarHBondContact OD1-NE2 3.41Å; D96-H150 IonicContact OD2-CD2 2.92Å; D96-H150 IonicContact OD2-CE1 2.73Å; D96-H150 IonicContact OD2-NE2 3.75Å; D96-H150 PolarHBondContact OD2-NE2 2.72Å
97L92.3Very high91.9Very high0 Ų062 Ų620%032%0.324CS..Hα-helixtrans-66.5-39.4-177.7-175.958.8000111I85 L88 T93 E95 A100 I101 I112 F114 A127 V129 L149I85-L97 HydrophobicContact CD1-CD1 4.06Å; I85-L97 HydrophobicContact CG2-CD1 4.21Å; L88-L97 HydrophobicContact CD1-CD2 4.37Å; T93-L97 PolarHBondContact O-N 3.31Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.68Å; L97-A100 PolarHBondContact O-N 3.42Å; L97-I101 HydrophobicContact CD1-CD1 4.27Å; L97-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CD1 3.38Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.84Å; L97-I112 HydrophobicContact CD2-CG2 4.02Å; L97-F114 HydrophobicContact CD2-CZ 4.06Å; L97-A127 HydrophobicContact CD2-CB 4.21Å; L97-V129 HydrophobicContact CD2-CG2 4.1Å; L97-L149 HydrophobicContact CD1-CD1 4.15Å
98T92.5Very high91.7Very high26 Ų2661.4 Ų61.416%0.1632%0.321CS..Hα-helixtrans-71.2-37.8177.7-490000111.6D94 E95 I101 R102 I112D94-T98 VanDerWaalsContact O-CB 3.29Å; D94-T98 WeakPolarHBondContact O-CB 3.48Å; D94-T98 PolarHBondContact O-N 2.87Å; D94-T98 PolarHBondContact O-OG1 3.25Å; E95-T98 PolarHBondContact O-N 3.36Å; T98-I101 PolarHBondContact O-N 3.18Å; T98-R102 VanDerWaalsContact CG2-NH2 3.35Å; T98-R102 WeakPolarHBondContact O-CB 3.41Å; T98-R102 VanDerWaalsContact O-CG 3.22Å; T98-R102 WeakPolarHBondContact O-CG 3.25Å; T98-R102 PolarHBondContact O-N 3.05Å; T98-I112 WeakPolarHBondContact OG1-CD1 3.16Å
99E93Very high91.5Very high126 Ų12662.7 Ų62.759%0.58933%0.329SS*.Hα-helixtrans-62.9-44.6172.7-176.3171-166.800111.4E95 D96 I101 R102 S103E95-E99 PolarHBondContact O-N 3.46Å; D96-E99 PolarHBondContact O-N 2.88Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 2.73Å; E99-R102 PolarHBondContact O-N 3.3Å; E99-S103 WeakPolarHBondContact O-CB 3.48Å; E99-S103 PolarHBondContact O-N 2.83Å
100A91.9Very high91.4Very high10 Ų1066 Ų668%0.08335%0.345CS..Hα-helixtrans-56.6-44.7174.600000112.1D96 L97 S103 L144 L149D96-A100 WeakPolarHBondContact O-CB 3.29Å; D96-A100 PolarHBondContact O-N 3.38Å; L97-A100 PolarHBondContact O-N 3.42Å; A100-S103 WeakPolarHBondContact O-CB 3.46Å; A100-S103 PolarHBondContact O-N 2.83Å; A100-S103 PolarHBondContact O-OG 2.89Å; A100-L144 HydrophobicContact CB-CD1 4.21Å; A100-L149 HydrophobicContact CB-CD1 4.24Å; A100-L149 HydrophobicContact CB-CD2 3.58Å
101I91.8Very high91.2Very high1 Ų162.1 Ų62.11%0.00533%0.334CS..Hα-helixtrans-66.3-44.6177-65.4165.1000111.2I85 L97 T98 E99 S103 I104 I106 V109 V129 L140 L144I85-I101 HydrophobicContact CD1-CD1 4.47Å; L97-I101 HydrophobicContact CD1-CD1 4.27Å; L97-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CD1 3.38Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.84Å; T98-I101 PolarHBondContact O-N 3.18Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 2.73Å; I101-S103 VanDerWaalsContact C-N 3.27Å; I101-S103 PolarHBondContact O-N 2.83Å; I101-I104 WeakPolarHBondContact O-CB 3.48Å; I101-I104 PolarHBondContact O-N 3.36Å; I101-I104 VanDerWaalsContact O-N 3.12Å; I101-I106 HydrophobicContact CG2-CB 3.63Å; I101-I106 HydrophobicContact CG2-CG2 3.44Å; I101-I106 VanDerWaalsContact CG2-CG2 3.44Å; I101-I106 PolarHBondContact O-N 2.92Å; I101-V109 HydrophobicContact CB-CG2 4.48Å; I101-V109 HydrophobicContact CD1-CG2 4.27Å; I101-V109 HydrophobicContact CG2-CG2 3.58Å; I101-V129 HydrophobicContact CD1-CG1 4.28Å; I101-L140 HydrophobicContact CB-CD2 4.45Å; I101-L140 HydrophobicContact CG1-CD2 3.81Å; I101-L140 HydrophobicContact CG2-CD2 4.12Å; I101-L144 HydrophobicContact CG1-CD1 3.97Å
102R92.1Very high91.3Very high145 Ų14557.8 Ų57.855%0.54732%0.321SS..Hα-helixtrans-57.8-38.8173.6-70.9171.4-158.8141.13.4111.7T98 E99 I104 G105T98-R102 VanDerWaalsContact CG2-NH2 3.35Å; T98-R102 WeakPolarHBondContact O-CB 3.41Å; T98-R102 VanDerWaalsContact O-CG 3.22Å; T98-R102 WeakPolarHBondContact O-CG 3.25Å; T98-R102 PolarHBondContact O-N 3.05Å; E99-R102 PolarHBondContact O-N 3.3Å; R102-I104 PolarHBondContact O-N 3.49Å; R102-G105 WeakPolarHBondContact O-CA 3.39Å; R102-G105 PolarHBondContact O-N 3.33Å
103S91.4Very high91.4Very high66 Ų6663.1 Ų63.146%0.46234%0.343SS..Hα-helixtrans-63.5-19.5179.486.70000114.1E99 A100 I101 G105E99-S103 WeakPolarHBondContact O-CB 3.48Å; E99-S103 PolarHBondContact O-N 2.83Å; A100-S103 WeakPolarHBondContact O-CB 3.46Å; A100-S103 PolarHBondContact O-N 2.83Å; A100-S103 PolarHBondContact O-OG 2.89Å; I101-S103 VanDerWaalsContact C-N 3.27Å; I101-S103 PolarHBondContact O-N 2.83Å; S103-G105 VanDerWaalsContact C-N 3.3Å
104I89.3Confident91.4Very high22 Ų2262.6 Ų62.611%0.11334%0.336CS..THydrogen-bonded Turntrans-86.9-4.5175.5-63.3166.3000111.1I101 R102 I106 K139 L140 L143 L144I101-I104 WeakPolarHBondContact O-CB 3.48Å; I101-I104 PolarHBondContact O-N 3.36Å; I101-I104 VanDerWaalsContact O-N 3.12Å; R102-I104 PolarHBondContact O-N 3.49Å; I104-I106 HydrophobicContact CB-CD1 4.21Å; I104-I106 HydrophobicContact CB-CG1 4.39Å; I104-I106 HydrophobicContact CG2-CD1 3.65Å; I104-I106 HydrophobicContact CG2-CG1 4.03Å; I104-K139 HydrophobicContact CG2-CB 4.23Å; I104-L140 HydrophobicContact CD1-CD2 4.45Å; I104-L143 HydrophobicContact CD1-CB 4.23Å; I104-L143 HydrophobicContact CG1-CB 4.23Å; I104-L143 HydrophobicContact CG2-CB 3.86Å; I104-L143 HydrophobicContact CG2-CD1 3.7Å; I104-L143 HydrophobicContact CG2-CG 4.42Å; I104-L144 HydrophobicContact CD1-CB 3.71Å; I104-L144 HydrophobicContact CD1-CD1 3.74Å; I104-L144 HydrophobicContact CD1-CG 4.24Å
105G88.9Confident91.5Very high58 Ų5860.1 Ų60.160%0.59832%0.32SS*.THydrogen-bonded Turntrans77.138.7-174.100000112.3R102 S103R102-G105 WeakPolarHBondContact O-CA 3.39Å; R102-G105 PolarHBondContact O-N 3.33Å; S103-G105 VanDerWaalsContact C-N 3.3Å
106I88Confident91.5Very high4 Ų459.1 Ų59.12%0.02132%0.316CS..  trans-118.6123.5178.9-63.9174.6000108.6I101 I104 D108 V109 K139 L140I101-I106 HydrophobicContact CG2-CB 3.63Å; I101-I106 HydrophobicContact CG2-CG2 3.44Å; I101-I106 VanDerWaalsContact CG2-CG2 3.44Å; I101-I106 PolarHBondContact O-N 2.92Å; I104-I106 HydrophobicContact CB-CD1 4.21Å; I104-I106 HydrophobicContact CB-CG1 4.39Å; I104-I106 HydrophobicContact CG2-CD1 3.65Å; I104-I106 HydrophobicContact CG2-CG1 4.03Å; I106-D108 WeakPolarHBondContact CG2-OD1 3.33Å; I106-V109 HydrophobicContact CG2-CG2 4.45Å; I106-K139 HydrophobicContact CD1-CB 3.83Å; I106-K139 HydrophobicContact CG1-CD 4.41Å; I106-L140 HydrophobicContact CD1-CD2 3.76Å; I106-L140 HydrophobicContact CD1-CG 3.68Å
107S88.5Confident91.5Very high118 Ų11860.2 Ų60.283%0.82532%0.321SS*.  trans-129.6-0.3-178550000113.5V109S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 3.13Å
108D88.8Confident91.5Very high45 Ų4571.9 Ų71.924%0.24137%0.365CS..  trans-90.929.6179.462.9-66.3000113.4I106 L110 V131 G132 S133 S136I106-D108 WeakPolarHBondContact CG2-OD1 3.33Å; D108-L110 PolarHBondContact O-N 2.96Å; D108-V131 CarbonylContact O-C 3.57Å; D108-V131 WeakPolarHBondContact O-CA 3.49Å; D108-G132 PolarHBondContact O-N 2.86Å; D108-G132 PolarHBondContact OD2-N 2.86Å; D108-S133 VanDerWaalsContact OD2-CB 3.27Å; D108-S133 WeakPolarHBondContact OD2-CB 3.48Å; D108-S133 PolarHBondContact OD2-N 2.86Å; D108-S136 WeakPolarHBondContact OD1-CB 3.41Å; D108-S136 PolarHBondContact OD1-OG 3.34Å; D108-S136 WeakPolarHBondContact OD2-CB 3.37Å; D108-S136 PolarHBondContact OD2-OG 2.76Å
109V89.4Confident91.4Very high39 Ų3975 Ų7524%0.23639%0.394CS..EExtended strand (participates in β ladder)trans-70.9124.8170.5-178.50000109.1I101 I106 S107 I112 V129I101-V109 HydrophobicContact CB-CG2 4.48Å; I101-V109 HydrophobicContact CD1-CG2 4.27Å; I101-V109 HydrophobicContact CG2-CG2 3.58Å; I106-V109 HydrophobicContact CG2-CG2 4.45Å; S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 3.13Å; V109-I112 HydrophobicContact CG1-CD1 4.1Å; V109-I112 HydrophobicContact CG1-CG1 3.73Å; V109-V129 HydrophobicContact CG1-CG1 4.01Å
110L91.1Very high91.3Very high84 Ų8473.5 Ų73.544%0.4439%0.39SS..EExtended strand (participates in β ladder)trans-99.6-37.9-176.8-58.3176.3000112.5R80 D108 C130R80-L110 HydrophobicContact CB-CD1 4.13Å; R80-L110 HydrophobicContact CG-CD1 3.59Å; D108-L110 PolarHBondContact O-N 2.96Å; L110-C130 HydrophobicContact CB-CB 4.13Å; L110-C130 PolarHBondContact N-O 3.38Å
111E90.6Very high91.2Very high77 Ų7775.1 Ų75.136%0.3641%0.408SS..EExtended strand (participates in β ladder)trans-157.2140.3-176.2-171.3-179.9168.900109.1V129 C130E111-V129 WeakPolarHBondContact O-CA 3.37Å; E111-C130 HydrophobicContact CB-CB 4.05Å; E111-C130 PolarHBondContact O-N 2.87Å
112I93.3Very high91.2Very high43 Ų4378.2 Ų78.222%0.22142%0.422CS..EExtended strand (participates in β ladder)trans-122.4128.7168.2-58.8-178.2000107.1L97 T98 V109 F114 A127 V129L97-I112 HydrophobicContact CD2-CG2 4.02Å; T98-I112 WeakPolarHBondContact OG1-CD1 3.16Å; V109-I112 HydrophobicContact CG1-CD1 4.1Å; V109-I112 HydrophobicContact CG1-CG1 3.73Å; I112-F114 HydrophobicContact CG2-CD2 4.02Å; I112-F114 HydrophobicContact CG2-CE2 3.62Å; I112-A127 HydrophobicContact CG2-CB 4.4Å; I112-V129 HydrophobicContact CG1-CG1 4.36Å; I112-V129 HydrophobicContact CG1-CG2 4.2Å; I112-V129 HydrophobicContact CG2-CG2 4.32Å
113K93.8Very high91.3Very high119 Ų11972.3 Ų72.352%0.51740%0.403SS..EExtended strand (participates in β ladder)trans-132.1103.1-178-176.5172-176.3170.50110.4A127 L128K113-A127 CarbonylContact O-C 3.6Å; K113-A127 VanDerWaalsContact O-CA 3.31Å; K113-A127 WeakPolarHBondContact O-CA 3.4Å; K113-L128 PolarHBondContact N-O 3.37Å; K113-L128 PolarHBondContact O-N 3.1Å
114F94.6Very high91.4Very high49 Ų4972 Ų7222%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-68.1143.7172.7-76.5-97.4000110.8L88 D94 L97 I112 A127L88-F114 HydrophobicContact CD1-CE1 4.26Å; D94-F114 HydrophobicContact CB-CE2 3.75Å; L97-F114 HydrophobicContact CD2-CZ 4.06Å; I112-F114 HydrophobicContact CG2-CD2 4.02Å; I112-F114 HydrophobicContact CG2-CE2 3.62Å; F114-A127 HydrophobicContact CD1-CB 3.99Å; F114-A127 HydrophobicContact CD2-CB 4.27Å; F114-A127 HydrophobicContact CE1-CB 4.13Å; F114-A127 HydrophobicContact CE2-CB 4.36Å; F114-A127 HydrophobicContact CG-CB 4.07Å; F114-A127 HydrophobicContact CZ-CB 4.3Å
115F93.5Very high91.6Very high48 Ų4871.3 Ų71.321%0.21139%0.392CS..EExtended strand (participates in β ladder)trans-94.6112.2168-74.1-103.6000108Y84 K124 F126 L128 L164Y84-F115 HydrophobicContact CD1-CE2 4.37Å; Y84-F115 AromaticContact CE1-CE2 3.85Å; Y84-F115 HydrophobicContact CE1-CE2 3.85Å; Y84-F115 AromaticContact CE1-CZ 3.96Å; Y84-F115 HydrophobicContact CE1-CZ 3.96Å; F115-K124 HydrophobicContact CB-CD 4.17Å; F115-K124 WeakPolarHBondContact O-CB 3.39Å; F115-K124 WeakPolarHBondContact O-CG 3.16Å; F115-K124 PolarHBondContact O-N 3.17Å; F115-F126 HydrophobicContact CB-CD1 4.48Å; F115-F126 HydrophobicContact CB-CD2 4Å; F115-F126 HydrophobicContact CB-CE1 4.06Å; F115-F126 HydrophobicContact CB-CE2 3.52Å; F115-F126 HydrophobicContact CB-CG 4.45Å; F115-F126 HydrophobicContact CB-CZ 3.55Å; F115-F126 AromaticContact CD1-CE2 3.81Å; F115-F126 HydrophobicContact CD1-CE2 3.81Å; F115-F126 HydrophobicContact CD1-CZ 4.04Å; F115-F126 AromaticContact CD2-CD2 3.68Å; F115-F126 HydrophobicContact CD2-CD2 3.68Å; F115-F126 AromaticContact CD2-CE2 3.4Å; F115-F126 HydrophobicContact CD2-CE2 3.4Å; F115-F126 VanDerWaalsContact CD2-CE2 3.4Å; F115-F126 HydrophobicContact CD2-CZ 4.28Å; F115-F126 HydrophobicContact CE1-CE2 4.38Å; F115-F126 HydrophobicContact CE2-CD2 4.4Å; F115-F126 HydrophobicContact CE2-CE2 4.04Å; F115-F126 AromaticContact CG-CD2 3.93Å; F115-F126 HydrophobicContact CG-CD2 3.93Å; F115-F126 AromaticContact CG-CE2 3.27Å; F115-F126 HydrophobicContact CG-CE2 3.27Å; F115-F126 AromaticContact CG-CZ 3.7Å; F115-F126 HydrophobicContact CG-CZ 3.7Å; F115-F126 HydrophobicContact CZ-CE2 4.48Å; F115-F126 PolarHBondContact N-O 3.17Å; F115-L128 HydrophobicContact CE2-CB 3.78Å; F115-L164 HydrophobicContact CE1-CD1 4.17Å; F115-L164 HydrophobicContact CZ-CD1 4.39Å
116E93.8Very high91.8Very high113 Ų11368.7 Ų68.753%0.52836%0.364SS..EExtended strand (participates in β ladder)trans-111.9165178.958.7177.4-140.300111.5Q122E116-Q122 CarbonylContact C-O 3.55Å; E116-Q122 VanDerWaalsContact CA-O 3.25Å; E116-Q122 WeakPolarHBondContact CA-O 3.32Å
117N92.7Very high92.2Very high71 Ų7168.5 Ų68.538%0.3836%0.363SS..EExtended strand (participates in β ladder)trans-85.3113.2168.2172.120.3000110.1A119 N120 G121 Q122N117-A119 PolarHBondContact O-N 2.78Å; N117-A119 PolarHBondContact OD1-N 3.16Å; N117-A119 VanDerWaalsContact OD1-N 3.15Å; N117-N120 VanDerWaalsContact CB-OD1 3.31Å; N117-N120 WeakPolarHBondContact CB-OD1 3.26Å; N117-N120 PolarHBondContact ND2-OD1 3.41Å; N117-N120 PolarHBondContact O-N 3.08Å; N117-N120 PolarHBondContact O-OD1 2.84Å; N117-G121 PolarHBondContact O-N 2.93Å; N117-Q122 PolarHBondContact N-O 3.26Å
118R91.7Very high92.4Very high245 Ų24563.6 Ų63.693%0.92533%0.328SS*.THydrogen-bonded Turntrans-56.5-19-178.7-164.1178.4-174.8-1752.3114.5
119A91.9Very high92.6Very high93 Ų9361.5 Ų61.577%0.76932%0.317SS*.THydrogen-bonded Turntrans-80-26.6178.200000114.3N117N117-A119 PolarHBondContact O-N 2.78Å; N117-A119 PolarHBondContact OD1-N 3.16Å; N117-A119 VanDerWaalsContact OD1-N 3.15Å
120N90.3Very high92.8Very high93 Ų9359.7 Ų59.750%0.49731%0.306SS..THydrogen-bonded Turntrans-138.7-0.6-174.972.6-13.2000115.3N117 Q122N117-N120 VanDerWaalsContact CB-OD1 3.31Å; N117-N120 WeakPolarHBondContact CB-OD1 3.26Å; N117-N120 PolarHBondContact ND2-OD1 3.41Å; N117-N120 PolarHBondContact O-N 3.08Å; N117-N120 PolarHBondContact O-OD1 2.84Å; N120-Q122 PolarHBondContact ND2-OE1 3.12Å; N120-Q122 PolarHBondContact O-N 2.96Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.31Å; N120-Q122 PolarHBondContact OD1-N 3.12Å; N120-Q122 VanDerWaalsContact OD1-N 3.08Å
121G90.2Very high92.8Very high45 Ų4555.7 Ų55.746%0.46429%0.285SS..THydrogen-bonded Turntrans69.113-17800000114.4N117N117-G121 PolarHBondContact O-N 2.93Å
122Q92.2Very high92.8Very high65 Ų6553.8 Ų53.830%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-81.3127.1-178.2-170.8177.69.600110.7W90 E116 N117 N120 K124W90-Q122 HydrophobicContact CB-CG 4.21Å; E116-Q122 CarbonylContact C-O 3.55Å; E116-Q122 VanDerWaalsContact CA-O 3.25Å; E116-Q122 WeakPolarHBondContact CA-O 3.32Å; N117-Q122 PolarHBondContact N-O 3.26Å; N120-Q122 PolarHBondContact ND2-OE1 3.12Å; N120-Q122 PolarHBondContact O-N 2.96Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.31Å; N120-Q122 PolarHBondContact OD1-N 3.12Å; N120-Q122 VanDerWaalsContact OD1-N 3.08Å; Q122-K124 PolarHBondContact O-N 2.7Å
123S93.4Very high92.6Very high21 Ų2153.9 Ų53.915%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-57.6132.4171.9172.70000111.2W90 G125W90-S123 WeakPolarHBondContact CB-O 3.47Å; S123-G125 PolarHBondContact O-N 3Å; S123-G125 PolarHBondContact OG-N 3.42Å
124K93.4Very high92.3Very high60 Ų6052.7 Ų52.726%0.26129%0.287SS..EExtended strand (participates in β ladder)trans-73.70.2174.3-66.5-176.3-174.7170.60113.1F115 Q122 F126 E168 S171F115-K124 HydrophobicContact CB-CD 4.17Å; F115-K124 WeakPolarHBondContact O-CB 3.39Å; F115-K124 WeakPolarHBondContact O-CG 3.16Å; F115-K124 PolarHBondContact O-N 3.17Å; Q122-K124 PolarHBondContact O-N 2.7Å; K124-F126 HydrophobicContact CB-CD1 3.73Å; K124-F126 HydrophobicContact CB-CE1 3.57Å; K124-F126 HydrophobicContact CD-CE1 3.67Å; K124-F126 HydrophobicContact CD-CZ 4.07Å; K124-F126 HydrophobicContact CG-CE1 4.29Å; K124-E168 IonicContact NZ-OE1 3.94Å; K124-E168 PolarHBondContact NZ-OE1 3.41Å; K124-S171 WeakPolarHBondContact O-CB 3.47Å
125G92.9Very high92.1Very high8 Ų853.2 Ų53.28%0.08230%0.301CS..EExtended strand (participates in β ladder)trans78.521.1-175.200000114.2G86 N87 L88 S123G86-G125 WeakPolarHBondContact CA-O 3.13Å; N87-G125 PolarHBondContact N-O 2.67Å; L88-G125 WeakPolarHBondContact CB-O 3.34Å; L88-G125 PolarHBondContact N-O 3.39Å; L88-G125 WeakPolarHBondContact O-CA 3.27Å; S123-G125 PolarHBondContact O-N 3Å; S123-G125 PolarHBondContact OG-N 3.42Å
126F94.6Very high91.9Very high2 Ų251.2 Ų51.21%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-148.9153.3169.972.1-86.3000113I85 F115 K124 L164 F167 E168I85-F126 CarbonylContact O-C 3.57Å; I85-F126 VanDerWaalsContact O-CA 3.24Å; I85-F126 WeakPolarHBondContact O-CA 3.16Å; I85-F126 WeakPolarHBondContact O-CB 3.36Å; F115-F126 HydrophobicContact CB-CD1 4.48Å; F115-F126 HydrophobicContact CB-CD2 4Å; F115-F126 HydrophobicContact CB-CE1 4.06Å; F115-F126 HydrophobicContact CB-CE2 3.52Å; F115-F126 HydrophobicContact CB-CG 4.45Å; F115-F126 HydrophobicContact CB-CZ 3.55Å; F115-F126 AromaticContact CD1-CE2 3.81Å; F115-F126 HydrophobicContact CD1-CE2 3.81Å; F115-F126 HydrophobicContact CD1-CZ 4.04Å; F115-F126 AromaticContact CD2-CD2 3.68Å; F115-F126 HydrophobicContact CD2-CD2 3.68Å; F115-F126 AromaticContact CD2-CE2 3.4Å; F115-F126 HydrophobicContact CD2-CE2 3.4Å; F115-F126 VanDerWaalsContact CD2-CE2 3.4Å; F115-F126 HydrophobicContact CD2-CZ 4.28Å; F115-F126 HydrophobicContact CE1-CE2 4.38Å; F115-F126 HydrophobicContact CE2-CD2 4.4Å; F115-F126 HydrophobicContact CE2-CE2 4.04Å; F115-F126 AromaticContact CG-CD2 3.93Å; F115-F126 HydrophobicContact CG-CD2 3.93Å; F115-F126 AromaticContact CG-CE2 3.27Å; F115-F126 HydrophobicContact CG-CE2 3.27Å; F115-F126 AromaticContact CG-CZ 3.7Å; F115-F126 HydrophobicContact CG-CZ 3.7Å; F115-F126 HydrophobicContact CZ-CE2 4.48Å; F115-F126 PolarHBondContact N-O 3.17Å; K124-F126 HydrophobicContact CB-CD1 3.73Å; K124-F126 HydrophobicContact CB-CE1 3.57Å; K124-F126 HydrophobicContact CD-CE1 3.67Å; K124-F126 HydrophobicContact CD-CZ 4.07Å; K124-F126 HydrophobicContact CG-CE1 4.29Å; F126-L164 HydrophobicContact CE2-CD1 3.77Å; F126-L164 HydrophobicContact CZ-CD1 4.12Å; F126-F167 HydrophobicContact CB-CB 4.21Å; F126-F167 HydrophobicContact CB-CG 4.29Å; F126-F167 HydrophobicContact CD1-CB 3.74Å; F126-F167 HydrophobicContact CD2-CB 4.01Å; F126-F167 HydrophobicContact CE1-CB 4Å; F126-F167 HydrophobicContact CE2-CB 4.27Å; F126-F167 HydrophobicContact CG-CB 3.74Å; F126-F167 HydrophobicContact CG-CG 4.31Å; F126-F167 HydrophobicContact CZ-CB 4.27Å; F126-E168 HydrophobicContact CE1-CG 4.3Å; F126-E168 HydrophobicContact CZ-CG 3.86Å
127A94.6Very high91.8Very high0 Ų046.1 Ų46.10%027%0.269CS..EExtended strand (participates in β ladder)trans-133.7157.117800000111Y84 I85 L97 I112 K113 F114Y84-A127 WeakPolarHBondContact CA-O 3.45Å; I85-A127 PolarHBondContact N-O 3.08Å; I85-A127 PolarHBondContact O-N 3.3Å; L97-A127 HydrophobicContact CD2-CB 4.21Å; I112-A127 HydrophobicContact CG2-CB 4.4Å; K113-A127 CarbonylContact O-C 3.6Å; K113-A127 VanDerWaalsContact O-CA 3.31Å; K113-A127 WeakPolarHBondContact O-CA 3.4Å; F114-A127 HydrophobicContact CD1-CB 3.99Å; F114-A127 HydrophobicContact CD2-CB 4.27Å; F114-A127 HydrophobicContact CE1-CB 4.13Å; F114-A127 HydrophobicContact CE2-CB 4.36Å; F114-A127 HydrophobicContact CG-CB 4.07Å; F114-A127 HydrophobicContact CZ-CB 4.3Å
128L94.2Very high91.7Very high16 Ų1650.6 Ų50.68%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-97.3135.8162.2174.1153000108.8A82 L83 Y84 K113 F115A82-L128 HydrophobicContact CB-CD1 4.21Å; A82-L128 HydrophobicContact CB-CD2 4.45Å; A82-L128 HydrophobicContact CB-CG 4.33Å; L83-L128 CarbonylContact O-C 3.52Å; L83-L128 VanDerWaalsContact O-CA 3.32Å; L83-L128 WeakPolarHBondContact O-CA 3.21Å; Y84-L128 HydrophobicContact CD1-CB 4.05Å; Y84-L128 HydrophobicContact CE1-CB 3.95Å; Y84-L128 HydrophobicContact CE1-CD1 3.92Å; Y84-L128 HydrophobicContact CE1-CG 4.42Å; K113-L128 PolarHBondContact N-O 3.37Å; K113-L128 PolarHBondContact O-N 3.1Å; F115-L128 HydrophobicContact CE2-CB 3.78Å
129V93.5Very high91.8Very high0 Ų043.6 Ų43.60%026%0.257CS..EExtended strand (participates in β ladder)trans-123.4123.8176.5-179.60000109A82 L83 I85 L97 I101 V109 E111 I112 V131A82-V129 WeakPolarHBondContact CA-O 3.2Å; L83-V129 PolarHBondContact N-O 3.22Å; L83-V129 PolarHBondContact O-N 2.84Å; I85-V129 HydrophobicContact CD1-CB 4.22Å; I85-V129 HydrophobicContact CD1-CG2 3.63Å; I85-V129 HydrophobicContact CG1-CG2 4.21Å; L97-V129 HydrophobicContact CD2-CG2 4.1Å; I101-V129 HydrophobicContact CD1-CG1 4.28Å; V109-V129 HydrophobicContact CG1-CG1 4.01Å; E111-V129 WeakPolarHBondContact O-CA 3.37Å; I112-V129 HydrophobicContact CG1-CG1 4.36Å; I112-V129 HydrophobicContact CG1-CG2 4.2Å; I112-V129 HydrophobicContact CG2-CG2 4.32Å; V129-V131 HydrophobicContact CG1-CG1 4.19Å
130C92.6Very high91.8Very high1 Ų139.1 Ų39.11%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-92.9125.8171.5-70.30000109.4L110 E111L110-C130 HydrophobicContact CB-CB 4.13Å; L110-C130 PolarHBondContact N-O 3.38Å; E111-C130 HydrophobicContact CB-CB 4.05Å; E111-C130 PolarHBondContact O-N 2.87Å
131V91.6Very high91.8Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-115.7155.3172.2-62.40000111.8R80 I81 D108 V129 L140R80-V131 CarbonylContact C-O 3.57Å; R80-V131 WeakPolarHBondContact CA-O 3.37Å; I81-V131 HydrophobicContact CB-CG2 4.08Å; I81-V131 HydrophobicContact CG2-CG2 4.5Å; I81-V131 PolarHBondContact N-O 3.01Å; I81-V131 WeakPolarHBondContact O-CG2 3.47Å; I81-V131 PolarHBondContact O-N 2.86Å; D108-V131 CarbonylContact O-C 3.57Å; D108-V131 WeakPolarHBondContact O-CA 3.49Å; V129-V131 HydrophobicContact CG1-CG1 4.19Å; V131-L140 HydrophobicContact CG1-CD1 3.86Å
132G89.4Confident91.9Very high38 Ų3839.7 Ų39.739%0.39221%0.211SC..SBendtrans-87.3-11.9179.800000115.1D108D108-G132 PolarHBondContact O-N 2.86Å; D108-G132 PolarHBondContact OD2-N 2.86Å
133S88.9Confident91.9Very high45 Ų4540 Ų4032%0.31522%0.215SC..  trans-127.5147.4-174.4-174.20000113.6D108 A135 S136 S137D108-S133 VanDerWaalsContact OD2-CB 3.27Å; D108-S133 WeakPolarHBondContact OD2-CB 3.48Å; D108-S133 PolarHBondContact OD2-N 2.86Å; S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact OG-N 2.86Å; S133-A135 VanDerWaalsContact OG-N 3.17Å; S133-S136 WeakPolarHBondContact CB-OG 3.23Å; S133-S136 PolarHBondContact O-OG 3.05Å; S133-S137 PolarHBondContact O-N 3.07Å
134E88.8Confident91.7Very high93 Ų9339 Ų3944%0.43521%0.208SC..Hα-helixtrans-77.1-23.1170.7-155.4-165.3129.200111.9I81 S137 R138I81-E134 HydrophobicContact CD1-CB 3.72Å; I81-E134 HydrophobicContact CD1-CG 3.85Å; E134-S137 PolarHBondContact O-OG 3.36Å; E134-S137 VanDerWaalsContact O-OG 3.06Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.93Å; E134-R138 IonicContact OE1-CZ 2.9Å; E134-R138 VanDerWaalsContact OE1-CZ 3.22Å; E134-R138 IonicContact OE1-NE 2.68Å; E134-R138 PolarHBondContact OE1-NE 3.46Å; E134-R138 IonicContact OE1-NH2 3.36Å; E134-R138 PolarHBondContact OE1-NH2 3.3Å
135A90.4Very high91.5Very high61 Ų6138.3 Ų38.350%0.50421%0.211SC..Hα-helixtrans-73.2-32.6175.800000111.8S133 K139S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact OG-N 2.86Å; S133-A135 VanDerWaalsContact OG-N 3.17Å; A135-K139 WeakPolarHBondContact O-CB 2.97Å; A135-K139 VanDerWaalsContact O-CG 3.25Å; A135-K139 WeakPolarHBondContact O-CG 3.12Å; A135-K139 PolarHBondContact O-N 3.42Å
136S89.8Confident91.3Very high5 Ų544.3 Ų44.34%0.03523%0.234CC..Hα-helixtrans-75.5-41.1173.956.50000111.4D108 S133 R138 K139 L140D108-S136 WeakPolarHBondContact OD1-CB 3.41Å; D108-S136 PolarHBondContact OD1-OG 3.34Å; D108-S136 WeakPolarHBondContact OD2-CB 3.37Å; D108-S136 PolarHBondContact OD2-OG 2.76Å; S133-S136 WeakPolarHBondContact CB-OG 3.23Å; S133-S136 PolarHBondContact O-OG 3.05Å; S136-R138 PolarHBondContact O-N 2.92Å; S136-K139 PolarHBondContact O-N 3.38Å; S136-K139 VanDerWaalsContact O-N 3.16Å; S136-L140 WeakPolarHBondContact O-CG 3.46Å; S136-L140 PolarHBondContact O-N 2.94Å
137S91.1Very high91Very high7 Ų750.3 Ų50.35%0.04926%0.257CS..Hα-helixtrans-60-43.6178.572.90000112.7S133 E134 L140 M141S133-S137 PolarHBondContact O-N 3.07Å; E134-S137 PolarHBondContact O-OG 3.36Å; E134-S137 VanDerWaalsContact O-OG 3.06Å; S137-L140 PolarHBondContact O-N 3.26Å; S137-M141 PolarHBondContact O-N 3.29Å
138R91.1Very high90.8Very high165 Ų16556.7 Ų56.762%0.62329%0.287SS*.Hα-helixtrans-63.9-41.7173.9-68.2171.3-178.6-111.47.3112.3E134 S136 M141 D142E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.93Å; E134-R138 IonicContact OE1-CZ 2.9Å; E134-R138 VanDerWaalsContact OE1-CZ 3.22Å; E134-R138 IonicContact OE1-NE 2.68Å; E134-R138 PolarHBondContact OE1-NE 3.46Å; E134-R138 IonicContact OE1-NH2 3.36Å; E134-R138 PolarHBondContact OE1-NH2 3.3Å; S136-R138 PolarHBondContact O-N 2.92Å; R138-M141 PolarHBondContact O-N 2.84Å; R138-D142 PolarHBondContact O-N 3.06Å
139K92.5Very high90.6Very high97 Ų9756.9 Ų56.942%0.42229%0.288SS..Hα-helixtrans-63.3-37.5175-79.3175.9178.4-172.60112.7I104 I106 A135 S136 D142 L143I104-K139 HydrophobicContact CG2-CB 4.23Å; I106-K139 HydrophobicContact CD1-CB 3.83Å; I106-K139 HydrophobicContact CG1-CD 4.41Å; A135-K139 WeakPolarHBondContact O-CB 2.97Å; A135-K139 VanDerWaalsContact O-CG 3.25Å; A135-K139 WeakPolarHBondContact O-CG 3.12Å; A135-K139 PolarHBondContact O-N 3.42Å; S136-K139 PolarHBondContact O-N 3.38Å; S136-K139 VanDerWaalsContact O-N 3.16Å; K139-D142 PolarHBondContact O-N 2.81Å; K139-L143 HydrophobicContact CB-CD1 4.36Å; K139-L143 HydrophobicContact CG-CD1 4.37Å; K139-L143 VanDerWaalsContact O-CB 3.26Å; K139-L143 WeakPolarHBondContact O-CB 3.39Å; K139-L143 PolarHBondContact O-N 2.97Å
140L91.9Very high90.4Very high0 Ų061 Ų610%031%0.307CS..Iπ-helixtrans-61.2-45.8176.2-73169.9000111.2L83 I101 I104 I106 V131 S136 S137 D142 L144 V156L83-L140 HydrophobicContact CD1-CB 3.96Å; L83-L140 HydrophobicContact CD1-CD1 3.77Å; I101-L140 HydrophobicContact CB-CD2 4.45Å; I101-L140 HydrophobicContact CG1-CD2 3.81Å; I101-L140 HydrophobicContact CG2-CD2 4.12Å; I104-L140 HydrophobicContact CD1-CD2 4.45Å; I106-L140 HydrophobicContact CD1-CD2 3.76Å; I106-L140 HydrophobicContact CD1-CG 3.68Å; V131-L140 HydrophobicContact CG1-CD1 3.86Å; S136-L140 WeakPolarHBondContact O-CG 3.46Å; S136-L140 PolarHBondContact O-N 2.94Å; S137-L140 PolarHBondContact O-N 3.26Å; L140-D142 PolarHBondContact O-N 2.87Å; L140-L144 HydrophobicContact CD2-CB 4.41Å; L140-L144 HydrophobicContact CD2-CD1 4.11Å; L140-L144 WeakPolarHBondContact O-CB 3.24Å; L140-L144 PolarHBondContact O-N 3.14Å; L140-V156 HydrophobicContact CB-CG1 4.26Å
141M91.6Very high90.2Very high68 Ų6863.4 Ų63.434%0.33533%0.331SS..Iπ-helixtrans-59.1-44.6179.5-65.4176.1-166.200112.8L83 S137 R138 S145 V156 P158L83-M141 HydrophobicContact CD1-CE 4.45Å; L83-M141 HydrophobicContact CD2-CE 3.42Å; L83-M141 VanDerWaalsContact CD2-CE 3.42Å; S137-M141 PolarHBondContact O-N 3.29Å; R138-M141 PolarHBondContact O-N 2.84Å; M141-S145 WeakPolarHBondContact O-CB 3.49Å; M141-S145 PolarHBondContact O-OG 3.37Å; M141-V156 HydrophobicContact CG-CG1 3.89Å; M141-P158 HydrophobicContact CE-CG 3.83Å
142D91.4Very high90.2Very high82 Ų8267.2 Ų67.244%0.43935%0.349SS..Iπ-helixtrans-85.4-33.5-176.2-176.174.4000114.4R138 K139 L140 S145 K146R138-D142 PolarHBondContact O-N 3.06Å; K139-D142 PolarHBondContact O-N 2.81Å; L140-D142 PolarHBondContact O-N 2.87Å; D142-S145 PolarHBondContact O-OG 3.31Å; D142-K146 WeakPolarHBondContact O-CD 3.4Å; D142-K146 WeakPolarHBondContact O-CE 3.33Å; D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 PolarHBondContact O-NZ 3.07Å; D142-K146 VanDerWaalsContact O-NZ 3.17Å; D142-K146 IonicContact OD1-NZ 3.77Å; D142-K146 PolarHBondContact OD1-NZ 3.27Å; D142-K146 IonicContact OD2-NZ 2.63Å; D142-K146 PolarHBondContact OD2-NZ 3.15Å
143L92.1Very high90.4Very high71 Ų7169.1 Ų69.137%0.37235%0.35SS..Iπ-helixtrans-104.2-31.9-170.4-60.2173.2000113.7I104 K139 K146I104-L143 HydrophobicContact CD1-CB 4.23Å; I104-L143 HydrophobicContact CG1-CB 4.23Å; I104-L143 HydrophobicContact CG2-CB 3.86Å; I104-L143 HydrophobicContact CG2-CD1 3.7Å; I104-L143 HydrophobicContact CG2-CG 4.42Å; K139-L143 HydrophobicContact CB-CD1 4.36Å; K139-L143 HydrophobicContact CG-CD1 4.37Å; K139-L143 VanDerWaalsContact O-CB 3.26Å; K139-L143 WeakPolarHBondContact O-CB 3.39Å; K139-L143 PolarHBondContact O-N 2.97Å; L143-K146 PolarHBondContact O-N 2.63Å
144L89.4Confident90.5Very high0 Ų067 Ų670%034%0.336CS..Iπ-helixtrans-73.9-37.1177.8-164.9112000110.9I85 A100 I101 I104 L140 K146 R147 P154 V156I85-L144 HydrophobicContact CD1-CD2 4.05Å; I85-L144 HydrophobicContact CG2-CD2 3.6Å; A100-L144 HydrophobicContact CB-CD1 4.21Å; I101-L144 HydrophobicContact CG1-CD1 3.97Å; I104-L144 HydrophobicContact CD1-CB 3.71Å; I104-L144 HydrophobicContact CD1-CD1 3.74Å; I104-L144 HydrophobicContact CD1-CG 4.24Å; L140-L144 HydrophobicContact CD2-CB 4.41Å; L140-L144 HydrophobicContact CD2-CD1 4.11Å; L140-L144 WeakPolarHBondContact O-CB 3.24Å; L140-L144 PolarHBondContact O-N 3.14Å; L144-K146 PolarHBondContact O-N 3.48Å; L144-K146 VanDerWaalsContact O-N 3.17Å; L144-R147 WeakPolarHBondContact O-CB 3.19Å; L144-R147 PolarHBondContact O-N 3.1Å; L144-P154 HydrophobicContact CD2-CB 3.77Å; L144-P154 HydrophobicContact CD2-CG 3.51Å; L144-P154 HydrophobicContact CG-CG 3.82Å; L144-P154 WeakPolarHBondContact O-CD 3.48Å; L144-P154 VanDerWaalsContact O-CG 3.23Å; L144-P154 WeakPolarHBondContact O-CG 3.13Å; L144-V156 HydrophobicContact CB-CG2 3.92Å; L144-V156 HydrophobicContact CD2-CG2 3.39Å; L144-V156 HydrophobicContact CG-CG2 4.3Å
145S89.4Confident90.8Very high46 Ų4666.1 Ų66.132%0.32233%0.333SS..THydrogen-bonded Turntrans-60.5-21.9174.456.40000114.1M141 D142 P154M141-S145 WeakPolarHBondContact O-CB 3.49Å; M141-S145 PolarHBondContact O-OG 3.37Å; D142-S145 PolarHBondContact O-OG 3.31Å; S145-P154 WeakPolarHBondContact CA-O 3.25Å
146K88.9Confident90.9Very high133 Ų13364.2 Ų64.258%0.57832%0.315SS*.THydrogen-bonded Turntrans-94.31.8174.9-61.1171.9-166.21580113.3D142 L143 L144D142-K146 WeakPolarHBondContact O-CD 3.4Å; D142-K146 WeakPolarHBondContact O-CE 3.33Å; D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 PolarHBondContact O-NZ 3.07Å; D142-K146 VanDerWaalsContact O-NZ 3.17Å; D142-K146 IonicContact OD1-NZ 3.77Å; D142-K146 PolarHBondContact OD1-NZ 3.27Å; D142-K146 IonicContact OD2-NZ 2.63Å; D142-K146 PolarHBondContact OD2-NZ 3.15Å; L143-K146 PolarHBondContact O-N 2.63Å; L144-K146 PolarHBondContact O-N 3.48Å; L144-K146 VanDerWaalsContact O-N 3.17Å
147R87.6Confident91Very high128 Ų12865.2 Ų65.248%0.48332%0.321SS..SBendtrans-93.3169.7168.1-65.3-55-165.6-176.52.8110.2L144 N153 P154L144-R147 WeakPolarHBondContact O-CB 3.19Å; L144-R147 PolarHBondContact O-N 3.1Å; R147-N153 PolarHBondContact O-ND2 3.27Å; R147-P154 WeakPolarHBondContact O-CD 3.44Å
148E91.1Very high91Very high135 Ų13568.1 Ų68.163%0.63134%0.34SS*.  trans-126.7128170.9-74.2172.3-168.100108.3Q152 N153E148-Q152 CarbonylContact C-O 3.54Å; E148-Q152 WeakPolarHBondContact CA-O 3.11Å; E148-N153 WeakPolarHBondContact CG-ND2 3.4Å; E148-N153 PolarHBondContact OE1-ND2 3.18Å
149L90.1Very high91Very high19 Ų1962.1 Ų62.110%0.09932%0.323CS..BIsolated β-bridgetrans-112.2119.5174.5-56.4-178000107.2L88 L97 A100 G151 Q152 P154L88-L149 HydrophobicContact CD2-CD1 3.87Å; L97-L149 HydrophobicContact CD1-CD1 4.15Å; A100-L149 HydrophobicContact CB-CD1 4.24Å; A100-L149 HydrophobicContact CB-CD2 3.58Å; L149-G151 PolarHBondContact O-N 3.15Å; L149-G151 VanDerWaalsContact O-N 3.08Å; L149-Q152 PolarHBondContact N-O 3.01Å; L149-Q152 PolarHBondContact O-N 3.44Å; L149-P154 HydrophobicContact CD1-CB 4.19Å; L149-P154 HydrophobicContact CD1-CG 4.1Å; L149-P154 HydrophobicContact CG-CG 4.19Å
150H88.5Confident90.9Very high87 Ų8761.5 Ų61.540%0.40332%0.324SS..THydrogen-bonded Turntrans51.631.4-176.9-61.2-72.3000114.4T89 W91 T92 D96T89-H150 HydrophobicContact CG2-CB 3.8Å; W91-H150 AromaticContact CD1-CG 3.97Å; W91-H150 AromaticContact CD1-ND1 3.93Å; W91-H150 AromaticContact NE1-CG 3.52Å; W91-H150 AromaticContact NE1-ND1 3.59Å; T92-H150 PolarHBondContact OG1-CD2 3.33Å; D96-H150 IonicContact OD1-CE1 2.67Å; D96-H150 IonicContact OD1-NE2 3.22Å; D96-H150 PolarHBondContact OD1-NE2 3.41Å; D96-H150 IonicContact OD2-CD2 2.92Å; D96-H150 IonicContact OD2-CE1 2.73Å; D96-H150 IonicContact OD2-NE2 3.75Å; D96-H150 PolarHBondContact OD2-NE2 2.72Å
151G89.4Confident90.8Very high51 Ų5168.1 Ų68.153%0.52635%0.353SS..THydrogen-bonded Turntrans78.723.8-177.500000114.9L149L149-G151 PolarHBondContact O-N 3.15Å; L149-G151 VanDerWaalsContact O-N 3.08Å
152Q90.8Very high90.8Very high81 Ų8170.9 Ų70.938%0.37937%0.365SS..BIsolated β-bridgetrans-129.7136.8172.4-68.6-61.9-6100111N87 T89 E148 L149 P154N87-Q152 PolarHBondContact ND2-OE1 3.28Å; N87-Q152 VanDerWaalsContact ND2-OE1 3.15Å; N87-Q152 WeakPolarHBondContact O-CB 3.43Å; T89-Q152 HydrophobicContact CG2-CG 4.16Å; E148-Q152 CarbonylContact C-O 3.54Å; E148-Q152 WeakPolarHBondContact CA-O 3.11Å; L149-Q152 PolarHBondContact N-O 3.01Å; L149-Q152 PolarHBondContact O-N 3.44Å; Q152-P154 WeakPolarHBondContact O-CD 3.21Å
153N92.9Very high90.8Very high77 Ų7767.5 Ų67.541%0.41235%0.347SS..  trans-77.2119.3172.9-50.691.4000109.1N87 R147 E148N87-N153 PolarHBondContact ND2-O 2.95Å; R147-N153 PolarHBondContact O-ND2 3.27Å; E148-N153 WeakPolarHBondContact CG-ND2 3.4Å; E148-N153 PolarHBondContact OE1-ND2 3.18Å
154P92.9Very high90.8Very high1 Ų166.1 Ų66.11%0.00634%0.34CS..  trans-79.1125.6-17532.4-34.3000110.9I85 G86 L88 L144 S145 R147 L149 Q152 V156I85-P154 HydrophobicContact CG2-CB 4.02Å; G86-P154 CarbonylContact O-C 3.54Å; G86-P154 WeakPolarHBondContact O-CA 3.31Å; L88-P154 HydrophobicContact CD2-CB 3.69Å; L144-P154 HydrophobicContact CD2-CB 3.77Å; L144-P154 HydrophobicContact CD2-CG 3.51Å; L144-P154 HydrophobicContact CG-CG 3.82Å; L144-P154 WeakPolarHBondContact O-CD 3.48Å; L144-P154 VanDerWaalsContact O-CG 3.23Å; L144-P154 WeakPolarHBondContact O-CG 3.13Å; S145-P154 WeakPolarHBondContact CA-O 3.25Å; R147-P154 WeakPolarHBondContact O-CD 3.44Å; L149-P154 HydrophobicContact CD1-CB 4.19Å; L149-P154 HydrophobicContact CD1-CG 4.1Å; L149-P154 HydrophobicContact CG-CG 4.19Å; Q152-P154 WeakPolarHBondContact O-CD 3.21Å; P154-V156 PolarHBondContact O-N 3.27Å
155I93.2Very high90.9Very high75 Ų7568.5 Ų68.539%0.38536%0.357SS..EExtended strand (participates in β ladder)trans-87.3110-177.4-58.2177.3000108.9I85 G86 N87 F167I85-I155 WeakPolarHBondContact CA-O 3.47Å; G86-I155 PolarHBondContact N-O 3.36Å; G86-I155 PolarHBondContact O-N 3.23Å; N87-I155 HydrophobicContact CB-CB 4.42Å; N87-I155 HydrophobicContact CB-CD1 3.93Å; N87-I155 HydrophobicContact CB-CG1 3.82Å; I155-F167 HydrophobicContact CB-CE1 4.11Å; I155-F167 HydrophobicContact CB-CZ 4.23Å; I155-F167 HydrophobicContact CG2-CE1 4.17Å; I155-F167 HydrophobicContact CG2-CZ 3.97Å
156V93.4Very high91.1Very high20 Ų2070.8 Ų70.812%0.12136%0.363CS..EExtended strand (participates in β ladder)trans-89.5137.5174.2-174.40000110.1L83 Y84 I85 L140 M141 L144 P154L83-V156 HydrophobicContact CB-CG1 4.45Å; L83-V156 HydrophobicContact CD1-CG1 3.92Å; Y84-V156 CarbonylContact O-C 3.51Å; Y84-V156 WeakPolarHBondContact O-CA 3.15Å; I85-V156 HydrophobicContact CG1-CG2 4.25Å; I85-V156 HydrophobicContact CG2-CG2 4.42Å; L140-V156 HydrophobicContact CB-CG1 4.26Å; M141-V156 HydrophobicContact CG-CG1 3.89Å; L144-V156 HydrophobicContact CB-CG2 3.92Å; L144-V156 HydrophobicContact CD2-CG2 3.39Å; L144-V156 HydrophobicContact CG-CG2 4.3Å; P154-V156 PolarHBondContact O-N 3.27Å
157T92.4Very high91.2Very high26 Ų2664.7 Ų64.716%0.1634%0.336CS..EExtended strand (participates in β ladder)trans-148145.8-179.8-42.60000110.7Y84 S163 F167Y84-T157 PolarHBondContact N-O 3.11Å; Y84-T157 PolarHBondContact O-N 3.19Å; T157-S163 WeakPolarHBondContact CG2-OG 3.48Å; T157-F167 WeakPolarHBondContact OG1-CZ 3.44Å
158P90.8Very high91.4Very high69 Ų6962.2 Ų62.245%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-53.1153.8172.2-27.834.8000113.7M141 N160M141-P158 HydrophobicContact CE-CG 3.83Å; P158-N160 VanDerWaalsContact C-N 3.34Å; P158-N160 PolarHBondContact O-N 3.41Å
159C89.8Confident91.4Very high38 Ų3860.5 Ų60.526%0.25732%0.323SS..SBendtrans-67.686.7172.5178.80000111.8A82 Y84A82-C159 HydrophobicContact CB-CB 3.76Å; A82-C159 WeakPolarHBondContact O-CB 3.17Å; A82-C159 PolarHBondContact O-N 2.86Å; Y84-C159 HydrophobicContact CE2-CB 4.32Å
160N91.6Very high91.4Very high84 Ų8463.1 Ų63.145%0.44934%0.335SS..  trans-129.1143.3176.6-175.6-19.4000110.2P158 Q162 S163 L164P158-N160 VanDerWaalsContact C-N 3.34Å; P158-N160 PolarHBondContact O-N 3.41Å; N160-Q162 PolarHBondContact O-N 3.38Å; N160-Q162 PolarHBondContact OD1-N 2.88Å; N160-S163 WeakPolarHBondContact O-CB 3.45Å; N160-S163 PolarHBondContact O-N 3.23Å; N160-S163 VanDerWaalsContact O-N 3.1Å; N160-L164 PolarHBondContact O-N 2.74Å
161K89.4Confident91.3Very high140 Ų14059.7 Ų59.761%0.60932%0.321SS*.Hα-helixtrans-52.3-38.1172.9-175.1-179.9178.7-175.20112.4L164 S165K161-L164 PolarHBondContact O-N 2.97Å; K161-S165 PolarHBondContact O-N 3.41Å; K161-S165 VanDerWaalsContact O-N 3.14Å; K161-S165 PolarHBondContact O-OG 2.93Å
162Q92.1Very high91.1Very high126 Ų12666.5 Ų66.559%0.58933%0.331SS*.Hα-helixtrans-62.6-44.6176.7-67.9-65.7-3.100112.1N160 S165 Q166N160-Q162 PolarHBondContact O-N 3.38Å; N160-Q162 PolarHBondContact OD1-N 2.88Å; Q162-S165 PolarHBondContact O-N 3.23Å; Q162-Q166 WeakPolarHBondContact O-CG 3.48Å; Q162-Q166 PolarHBondContact O-N 2.96Å; Q162-Q166 VanDerWaalsContact O-N 3.09Å
163S91Very high90.4Very high10 Ų1069.2 Ų69.27%0.0734%0.341CS..Hα-helixtrans-67.6-38.8179.8-48.60000112T157 N160 Q166 F167T157-S163 WeakPolarHBondContact CG2-OG 3.48Å; N160-S163 WeakPolarHBondContact O-CB 3.45Å; N160-S163 PolarHBondContact O-N 3.23Å; N160-S163 VanDerWaalsContact O-N 3.1Å; S163-Q166 PolarHBondContact O-N 3.45Å; S163-F167 WeakPolarHBondContact O-CD2 3.32Å; S163-F167 PolarHBondContact O-N 2.94Å; S163-F167 VanDerWaalsContact O-N 3.09Å
164L91Very high88.9Confident43 Ų4369.1 Ų69.123%0.22535%0.346CS..Hα-helixtrans-58.1-50.5172.8178.961.2000111.2Y84 F115 F126 N160 K161 Q166 F167 E168Y84-L164 HydrophobicContact CE1-CD1 4.08Å; Y84-L164 HydrophobicContact CE2-CB 4.16Å; F115-L164 HydrophobicContact CE1-CD1 4.17Å; F115-L164 HydrophobicContact CZ-CD1 4.39Å; F126-L164 HydrophobicContact CE2-CD1 3.77Å; F126-L164 HydrophobicContact CZ-CD1 4.12Å; N160-L164 PolarHBondContact O-N 2.74Å; K161-L164 PolarHBondContact O-N 2.97Å; L164-Q166 VanDerWaalsContact C-N 3.28Å; L164-Q166 PolarHBondContact O-N 3.33Å; L164-F167 PolarHBondContact O-N 3.22Å; L164-E168 HydrophobicContact CD1-CG 4.34Å; L164-E168 WeakPolarHBondContact O-CG 3.33Å; L164-E168 PolarHBondContact O-N 3.09Å
165S92.6Very high87.2Confident50 Ų5073.9 Ų73.935%0.3538%0.376SS..Hα-helixtrans-57.8-38.6176.8-61.30000112.8K161 Q162 M169K161-S165 PolarHBondContact O-N 3.41Å; K161-S165 VanDerWaalsContact O-N 3.14Å; K161-S165 PolarHBondContact O-OG 2.93Å; Q162-S165 PolarHBondContact O-N 3.23Å; S165-M169 WeakPolarHBondContact O-CB 3.33Å; S165-M169 WeakPolarHBondContact O-CE 3.42Å; S165-M169 WeakPolarHBondContact O-CG 3.49Å; S165-M169 PolarHBondContact O-N 3.39Å
166Q92.6Very high85.2Confident94 Ų9477 Ų7744%0.43939%0.389SS..Hα-helixtrans-63.2-47.6176.7-70.7168.115.100111.9Q162 S163 L164 M169 Q170Q162-Q166 WeakPolarHBondContact O-CG 3.48Å; Q162-Q166 PolarHBondContact O-N 2.96Å; Q162-Q166 VanDerWaalsContact O-N 3.09Å; S163-Q166 PolarHBondContact O-N 3.45Å; L164-Q166 VanDerWaalsContact C-N 3.28Å; L164-Q166 PolarHBondContact O-N 3.33Å; Q166-M169 PolarHBondContact O-N 3.16Å; Q166-Q170 WeakPolarHBondContact O-CG 3.43Å; Q166-Q170 PolarHBondContact O-N 3.22Å
167F92.8Very high83.1Confident5 Ų580 Ų802%0.02241%0.41CS..Hα-helixtrans-68.1-36.2177.8-68.2-55.9000112.9F126 I155 T157 S163 L164 Q170 S171F126-F167 HydrophobicContact CB-CB 4.21Å; F126-F167 HydrophobicContact CB-CG 4.29Å; F126-F167 HydrophobicContact CD1-CB 3.74Å; F126-F167 HydrophobicContact CD2-CB 4.01Å; F126-F167 HydrophobicContact CE1-CB 4Å; F126-F167 HydrophobicContact CE2-CB 4.27Å; F126-F167 HydrophobicContact CG-CB 3.74Å; F126-F167 HydrophobicContact CG-CG 4.31Å; F126-F167 HydrophobicContact CZ-CB 4.27Å; I155-F167 HydrophobicContact CB-CE1 4.11Å; I155-F167 HydrophobicContact CB-CZ 4.23Å; I155-F167 HydrophobicContact CG2-CE1 4.17Å; I155-F167 HydrophobicContact CG2-CZ 3.97Å; T157-F167 WeakPolarHBondContact OG1-CZ 3.44Å; S163-F167 WeakPolarHBondContact O-CD2 3.32Å; S163-F167 PolarHBondContact O-N 2.94Å; S163-F167 VanDerWaalsContact O-N 3.09Å; L164-F167 PolarHBondContact O-N 3.22Å; F167-Q170 PolarHBondContact O-N 3.09Å; F167-S171 PolarHBondContact O-N 3.23Å
168E91.6Very high81.1Confident75 Ų7582.1 Ų82.135%0.3544%0.437SS..Hα-helixtrans-62.7-43.9172.1-67.7-142115.500111.9K124 F126 L164 Q170 S171 R172K124-E168 IonicContact NZ-OE1 3.94Å; K124-E168 PolarHBondContact NZ-OE1 3.41Å; F126-E168 HydrophobicContact CE1-CG 4.3Å; F126-E168 HydrophobicContact CZ-CG 3.86Å; L164-E168 HydrophobicContact CD1-CG 4.34Å; L164-E168 WeakPolarHBondContact O-CG 3.33Å; L164-E168 PolarHBondContact O-N 3.09Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.33Å; E168-S171 PolarHBondContact O-N 2.96Å; E168-S171 PolarHBondContact O-OG 3.05Å; E168-R172 PolarHBondContact O-N 2.95Å
169M91.3Very high78.9Confident100 Ų10087.6 Ų87.649%0.49346%0.457SS..Hα-helixtrans-64.8-29.4173.9-74.2-171.5-71.700113.9S165 Q166 K173S165-M169 WeakPolarHBondContact O-CB 3.33Å; S165-M169 WeakPolarHBondContact O-CE 3.42Å; S165-M169 WeakPolarHBondContact O-CG 3.49Å; S165-M169 PolarHBondContact O-N 3.39Å; Q166-M169 PolarHBondContact O-N 3.16Å; M169-K173 WeakPolarHBondContact O-CD 3.47Å; M169-K173 WeakPolarHBondContact O-CE 3.42Å; M169-K173 WeakPolarHBondContact O-CG 3.17Å
170Q89.4Confident76.7Confident74 Ų7493.7 Ų93.735%0.34648%0.484SS..Hα-helixtrans-73.8-42.7174.5-73.9171.86.700111.8Q166 F167 E168 R172 K173 S174Q166-Q170 WeakPolarHBondContact O-CG 3.43Å; Q166-Q170 PolarHBondContact O-N 3.22Å; F167-Q170 PolarHBondContact O-N 3.09Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.33Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.48Å; Q170-K173 WeakPolarHBondContact O-CA 3.45Å; Q170-K173 WeakPolarHBondContact O-CB 3.36Å; Q170-K173 PolarHBondContact O-N 3.1Å; Q170-S174 PolarHBondContact O-N 3.11Å; Q170-S174 VanDerWaalsContact O-N 3.11Å
171S86.6Confident74.5Confident15 Ų1596 Ų9611%0.10551%0.507CS..Hα-helixtrans-57.9-34.5-179.870.60000114K124 F167 E168 K173 S174 T175K124-S171 WeakPolarHBondContact O-CB 3.47Å; F167-S171 PolarHBondContact O-N 3.23Å; E168-S171 PolarHBondContact O-N 2.96Å; E168-S171 PolarHBondContact O-OG 3.05Å; S171-K173 VanDerWaalsContact C-N 3.28Å; S171-K173 PolarHBondContact O-N 3.04Å; S171-S174 PolarHBondContact O-OG 2.74Å; S171-T175 PolarHBondContact O-OG1 2.96Å
172R84.6Confident72.3Confident194 Ų19492.5 Ų92.573%0.73251%0.511SS*.Hα-helixtrans-64.5-28.5172.7-70177.2172.1177.9-1.9113.4E168 Q170E168-R172 PolarHBondContact O-N 2.95Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.48Å
173K76.2Confident70.3Confident137 Ų13796.4 Ų96.460%0.59653%0.529SS*.Hα-helixtrans-89.1-40.6-175.8-61169.9-173.3-178.70112.2M169 Q170 S171 T175 Q176 S177M169-K173 WeakPolarHBondContact O-CD 3.47Å; M169-K173 WeakPolarHBondContact O-CE 3.42Å; M169-K173 WeakPolarHBondContact O-CG 3.17Å; Q170-K173 WeakPolarHBondContact O-CA 3.45Å; Q170-K173 WeakPolarHBondContact O-CB 3.36Å; Q170-K173 PolarHBondContact O-N 3.1Å; S171-K173 VanDerWaalsContact C-N 3.28Å; S171-K173 PolarHBondContact O-N 3.04Å; K173-T175 PolarHBondContact O-N 2.92Å; K173-Q176 PolarHBondContact O-N 3.47Å; K173-S177 PolarHBondContact O-N 3.07Å
174S62.5Low68Low75 Ų7599.4 Ų99.452%0.52456%0.562SS.*Hα-helixtrans-63.9-24.2175.956.60000113.2Q170 S171 Q176 S177Q170-S174 PolarHBondContact O-N 3.11Å; Q170-S174 VanDerWaalsContact O-N 3.11Å; S171-S174 PolarHBondContact O-OG 2.74Å; S174-Q176 VanDerWaalsContact C-N 3.32Å; S174-S177 PolarHBondContact O-OG 3.04Å
175T56.5Low65.9Low101 Ų101107.2 Ų107.262%0.6259%0.593SS**THydrogen-bonded Turntrans-72.2-24.5172-53.40000112.5S171 K173S171-T175 PolarHBondContact O-OG1 2.96Å; K173-T175 PolarHBondContact O-N 2.92Å
176Q51.8Low63.4Low142 Ų142109.8 Ų109.866%0.66462%0.618SS**THydrogen-bonded Turntrans-94.8-28-175-166.8174.517.900113.6K173 S174 G178 Q179K173-Q176 PolarHBondContact O-N 3.47Å; S174-Q176 VanDerWaalsContact C-N 3.32Å; Q176-G178 PolarHBondContact O-N 2.85Å; Q176-G178 VanDerWaalsContact O-N 3.1Å; Q176-Q179 PolarHBondContact O-N 2.89Å
177S49.2Very low60.7Low81 Ų81108.7 Ų108.757%0.56663%0.632SS**G310 helixtrans-64.1-15.3-179.1520000114.3K173 S174 Q179 M180K173-S177 PolarHBondContact O-N 3.07Å; S174-S177 PolarHBondContact O-OG 3.04Å; S177-Q179 PolarHBondContact O-N 2.98Å; S177-Q179 VanDerWaalsContact O-N 3.16Å; S177-M180 PolarHBondContact O-N 2.99Å
178G49.2Very low58.6Low71 Ų71114.1 Ų114.173%0.73267%0.668SS**G310 helixtrans-65.9-5.9172.600000115.8Q176Q176-G178 PolarHBondContact O-N 2.85Å; Q176-G178 VanDerWaalsContact O-N 3.1Å
179Q45.1Very low56.4Low184 Ų184116.8 Ų116.886%0.8669%0.692SS**G310 helixtrans-120.722.3178.6-68-166.6-59.300114.6Q176 S177Q176-Q179 PolarHBondContact O-N 2.89Å; S177-Q179 PolarHBondContact O-N 2.98Å; S177-Q179 VanDerWaalsContact O-N 3.16Å
180M43.3Very low54.1Low166 Ų166116 Ų11682%0.81871%0.708SS**  trans-129.941.7174.6-59.5-166.490.100114.3S177S177-M180 PolarHBondContact O-N 2.99Å
181S45.4Very low51.8Low133 Ų133118.8 Ų118.893%0.9374%0.736SS**  trans-99.984.3156.8-69.90000109.6
182G44.1Very low49.4Very low67 Ų67121.4 Ų121.469%0.69177%0.766SS**SBendtrans-155.773.5-17500000112.5G184G182-G184 PolarHBondContact O-N 2.99Å
183E49.9Very low47.6Very low207 Ų207117.9 Ų117.997%0.96777%0.771SS**  trans34.756.8154.8-157146.691.600118.1
184G41.7Very low45.8Very low74 Ų74123.5 Ų123.576%0.76379%0.789SS**PPolyproline II helixtrans-91.3118.6171.100000112G182G182-G184 PolarHBondContact O-N 2.99Å
185K46.5Very low44.5Very low206 Ų206123.1 Ų123.190%0.89680%0.797SS**PPolyproline II helixtrans-60.9136-178.4-72-177.6176.8178.90112.7
186A40.8Very low43.4Very low104 Ų104121.5 Ų121.586%0.8680%0.8SS**PPolyproline II helixtrans-66.6132.3164.300000110.9
187G35.9Very low42.4Very low71 Ų71124.7 Ų124.773%0.73281%0.812SS**  trans-125.8118.5172.600000110.2
188P49.8Very low42.5Very low120 Ų120126.5 Ų126.578%0.77982%0.822SS**PPolyproline II helixtrans-68.5159.5175.9-20.433.7000113
189P45Very low42.1Very low131 Ų131132.2 Ų132.285%0.85183%0.832SS**PPolyproline II helixtrans-64.5149.7172.628.9-35.1000111.7
190G41.7Very low41.6Very low82 Ų82126.5 Ų126.585%0.84582%0.822SS**PPolyproline II helixtrans-82.2151.8-161.400000116.8
191S42.6Very low41.3Very low133 Ų133123.7 Ų123.793%0.9382%0.818SS**  trans-164.2149.5157.5-175.60000109.6
192G34.9Very low40.9Very low71 Ų71129 Ų12973%0.73282%0.818SS**  trans119.595.4163.500000117.1
193S47.4Very low40.5Very low120 Ų120131.2 Ų131.284%0.83982%0.823SS**  trans-86.7116.2164.5-57.20000111.2
194R37.4Very low39.7Very low255 Ų255131.6 Ų131.696%0.96282%0.821SS**  trans174.6146.9163.2-94.5148.1-171.2-158.54.1107.8
195G35.5Very low39.3Very low67 Ų67131.6 Ų131.669%0.69182%0.822SS**  cis148.7105.3-5.700000112
196G34Very low38.8Very low67 Ų67133.7 Ų133.769%0.69182%0.824SS**  trans84160.7178.900000114.8
197F31.1Very low38.4Very low208 Ų208138.7 Ų138.791%0.91283%0.826SS**  cis-136.1-147.3-3.5-64.1-97.1000110.8
198P50.7Low39Very low119 Ų119141.4 Ų141.477%0.77383%0.832SS**  -127169.5-124.636.7-14.8000116.1
199M41.6Very low38.2Very low192 Ų192138.9 Ų138.995%0.94683%0.827SS**  trans-167.3151141.6-111.1-59.9-15900109.9
200G34.6Very low38.5Very low63 Ų63138.8 Ų138.865%0.64983%0.827SS**  trans-120.6177.9-176.200000114.3
201S35.7Very low38.8Very low107 Ų107141.2 Ų141.275%0.74883%0.827SS**  trans72.7100.9170.8-160.10000117.6
202R38.8Very low38.4Very low246 Ų246138.1 Ų138.193%0.92882%0.816SS**  -161.3137.498.9-100.1166-168.4176.15.1112.8
203S35.6Very low38.9Very low112 Ų112141.4 Ų141.478%0.78383%0.825SS**  trans-92.6146.5-164.4-30.30000114.2
204K33.3Very low38.4Very low215 Ų215138.8 Ų138.894%0.93582%0.817SS**  trans-159.6135145.9-146.473.3175.3-177.80112.2
205G32.5Very low38.4Very low75 Ų75133.9 Ų133.977%0.77381%0.81SS**  trans103.665.4153.500000119.9
206R36.4Very low38.5Very low250 Ų250135.3 Ų135.394%0.94380%0.802SS**  trans-144.4143.1145.3-104.2-169.2-178.2-146.40.6109.9
207F32.2Very low38.6Very low208 Ų208142 Ų14291%0.91281%0.806SS**  trans-88.9160.8177.7-91.7-100.5000111.7
208P48.5Very low38.9Very low129 Ų129141.1 Ų141.184%0.83880%0.802SS**  trans-96.2164.8-167.337.9-35.3000114.6
209G33.8Very low38.7Very low67 Ų67141.3 Ų141.369%0.69180%0.803SS**  trans-152.1156.6166.300000111.1
210P50.4Low38.7Very low129 Ų129134.4 Ų134.484%0.83878%0.782SS**  trans-86.9166-161.2-10.930.3000115.5
211P48.5Very low39.4Very low132 Ų132137.7 Ų137.786%0.85779%0.792SS**  trans-89.9157.4-174.736.1-35.8000114.7
212G33.8Very low39.4Very low68 Ų68139.2 Ų139.270%0.70180%0.796SS**  trans-136.4154.9167.500000111.3
213P44.9Very low39.4Very low140 Ų140130.4 Ų130.491%0.90978%0.782SS**  trans-86.7168.5-166.235.3-36.8000114.6
214G37.2Very low39.8Very low66 Ų66131.6 Ų131.668%0.6879%0.787SS**  trans-101.3-158.6-17900000115.2
215N36.6Very low39.8Very low152 Ų152125.3 Ų125.381%0.81378%0.783SS**  trans67.9148.3-171-74.173.7000113.3
216D39.1Very low40Very low96 Ų96125.2 Ų125.251%0.51378%0.782SS.*  cis-157166.219.7-126.7-19.9000114
217R36Very low40.5Very low207 Ų207119.1 Ų119.178%0.78178%0.775SS**  trans59.7123.3150.5-66.7-179.2-173.482.619.4123.3
218F36.3Very low41.2Very low190 Ų190115.1 Ų115.183%0.83377%0.77SS**  trans-62.8157.9148.5-141.5-123.7000110.8
219P47Very low41.3Very low123 Ų123115.1 Ų115.180%0.79977%0.77SS**  -146160.289.438.6-22.9000116.4
220G40.8Very low41.8Very low48 Ų48120.5 Ų120.550%0.49578%0.777SS.*  trans-80.3176.3162.500000112.5
221P50.5Low41.2Very low132 Ų132124.1 Ų124.186%0.85778%0.78SS**  -128.3-174.866.740.8-28.1000112.3
222V36Very low40.9Very low139 Ų139123.5 Ų123.584%0.84278%0.776SS**  cis-159.7163.529.2660000112.1
223G37.3Very low40.7Very low61 Ų61123.7 Ų123.763%0.62978%0.778SS**  trans-133.5166.3162.500000109.8
224P45Very low40.2Very low136 Ų136123.1 Ų123.188%0.88378%0.777SS**  -141.8-173.860.838.9-20000114.8
225G34Very low39.9Very low83 Ų83123.2 Ų123.286%0.85678%0.778SS**  trans-95.3177.3-171.500000117.2
226G36.7Very low39.7Very low73 Ų73124.9 Ų124.975%0.75378%0.783SS**  trans177.5151.5173.100000111.6
227P46.5Very low39.6Very low122 Ų122131.2 Ų131.279%0.79280%0.8SS**PPolyproline II helixtrans-77.6162.6177.632.8-35.4000112.7
228P47.3Very low40.3Very low124 Ų124126.2 Ų126.281%0.80579%0.794SS**PPolyproline II helixtrans-71.8138.3-174.228.8-35.6000113.1
229P49.3Very low40Very low130 Ų130123.4 Ų123.484%0.84479%0.788SS**PPolyproline II helixtrans-80.8154.5177.932.9-35.1000113.2
230H44.1Very low39.3Very low179 Ų179124 Ų12483%0.82978%0.784SS**  trans-127.9129.2179.3-144.669.4000107.7
231F38.3Very low39Very low205 Ų205127.2 Ų127.290%0.89979%0.794SS**  trans-165.8165.4168.6-99.4-43.5000111.7
232P42.2Very low38Very low119 Ų119126.6 Ų126.677%0.77379%0.792SS**  -135175.4-119.645.1-29.6000117.2
233G29.9Very low38.1Very low73 Ų73127.4 Ų127.475%0.75379%0.786SS**  trans104.7148.5161.700000114.7
234S33.4Very low37.9Very low128 Ų128132.5 Ų132.590%0.89579%0.793SS**  cis-162.5150.3-6.750.70000111.4
235G30.7Very low37.1Very low67 Ų67133 Ų13369%0.69179%0.789SS**  trans113.411115800000119.1
236M34.4Very low37.1Very low187 Ų187132 Ų13292%0.92178%0.779SS**  trans68.7154.4143.4-48.3-47.6-178.700122.7
237R36.5Very low37.5Very low229 Ų229134.1 Ų134.186%0.86478%0.779SS**  trans-128.8173.6165.4-64.8176.864-174.9-1.5106.3
238P50.7Low36.8Very low103 Ų103135.4 Ų135.467%0.66978%0.779SS**  cis-118.9-129.3-1.825.12.1000109.3
239D29.8Very low36.1Very low131 Ų131136.5 Ų136.570%0.70178%0.775SS**  cis-161.8-175.8-3.3-141.4158.8000114
240L30.9Very low35.3Very low136 Ų136138.1 Ų138.171%0.71277%0.771SS**  trans13.7133.5158-101.477.5000122.8
241V36.5Very low34.8Very low115 Ų115138.4 Ų138.470%0.69778%0.775SS**  44.3125.7126.31760000120.4
242S29.1Very low34.6Very low119 Ų119135.3 Ų135.383%0.83277%0.768SS**  -159.9161.9129.6-86.70000113.3
243H38Very low34.1Very low155 Ų155136.1 Ų136.172%0.71876%0.759SS**  trans-90-179.7176.3-74.7-123.1000111.4
244H33Very low34.6Very low168 Ų168138.8 Ų138.878%0.77876%0.756SS**  trans72.4152167.1-60.9-82.8000114.3
245D27.5Very low34.9Very low146 Ų146139 Ų13978%0.78176%0.755SS**  cis-134.9165.45.5-93.5-53.9000111.7
246G34.6Very low35.2Very low63 Ų63142.7 Ų142.765%0.64975%0.752SS**  trans-94.8156.3152.900000109.6
247P44.2Very low35.7Very low117 Ų117139.6 Ų139.676%0.7675%0.746SS**  -154.1161.3105.638.7-21.9000117.3
248L32.3Very low36.2Very low150 Ų150134.1 Ų134.179%0.78574%0.74SS**  trans71.6151.6140.5-83.7177.1000123
249M33.8Very low35.3Very low147 Ų147133 Ų13372%0.72475%0.748SS**  trans62.5100163.8-59.4-5117800119.4
250E31.4Very low35.6Very low163 Ų163130.6 Ų130.676%0.76275%0.754SS**  47.8116.1111.7-170.5175.6122.900119.1
251M34.5Very low35.6Very low186 Ų186136 Ų13692%0.91677%0.765SS**  -158.1145127.5-114.2154.6-121.700114.6
252N33.1Very low35.5Very low140 Ų140138.1 Ų138.175%0.74977%0.772SS**  trans-82.8180-179.8-171.22000111.3
253F31.2Very low35.7Very low135 Ų135135.6 Ų135.659%0.59277%0.765SS**  trans91.3116.6161.9-92.9-90000121.2F256F253-F256 HydrophobicContact CD1-CD2 4.04Å; F253-F256 AromaticContact CD1-CE2 3.32Å; F253-F256 HydrophobicContact CD1-CE2 3.32Å; F253-F256 AromaticContact CD1-CZ 3.86Å; F253-F256 HydrophobicContact CD1-CZ 3.86Å; F253-F256 AromaticContact CE1-CE2 3.67Å; F253-F256 HydrophobicContact CE1-CE2 3.67Å; F253-F256 AromaticContact CE1-CZ 3.69Å; F253-F256 HydrophobicContact CE1-CZ 3.69Å; F253-F256 HydrophobicContact CG-CE2 4.04Å
254N41.1Very low35.1Very low129 Ų129132.5 Ų132.569%0.6976%0.761SS**  trans-25145145.3-65.6-31.3000115.8F256N254-F256 PolarHBondContact O-N 2.96Å
255P40.7Very low35.2Very low134 Ų134136.8 Ų136.887%0.8777%0.77SS**  trans-66.6105.1160.928.6-32.5000111.6
256F35.1Very low35.7Very low143 Ų143138 Ų13863%0.62777%0.771SS**  trans-48.9169.7157.5-87.7-74.1000113.1F253 N254F253-F256 HydrophobicContact CD1-CD2 4.04Å; F253-F256 AromaticContact CD1-CE2 3.32Å; F253-F256 HydrophobicContact CD1-CE2 3.32Å; F253-F256 AromaticContact CD1-CZ 3.86Å; F253-F256 HydrophobicContact CD1-CZ 3.86Å; F253-F256 AromaticContact CE1-CE2 3.67Å; F253-F256 HydrophobicContact CE1-CE2 3.67Å; F253-F256 AromaticContact CE1-CZ 3.69Å; F253-F256 HydrophobicContact CE1-CZ 3.69Å; F253-F256 HydrophobicContact CG-CE2 4.04Å; N254-F256 PolarHBondContact O-N 2.96Å
257P46.3Very low35.7Very low122 Ų122141 Ų14179%0.79278%0.782SS**  cis-138.8172.532.733-9.3000118.6
258P47.3Very low35.3Very low115 Ų115147.2 Ų147.275%0.74779%0.791SS**  trans-101.3167.8-176.539.5-31.4000113.7
259G30.7Very low35.3Very low80 Ų80143.9 Ų143.983%0.82579%0.792SS**  trans-17579.1173.500000112.9
260G36.2Very low35.3Very low80 Ų80139.9 Ų139.983%0.82579%0.788SS**  trans-89.8168.7-177.200000114.5
261R30.8Very low36Very low249 Ų249140.5 Ų140.594%0.9480%0.795SS**  trans-150.1152.3153.7-156.915271.3-160.53.8112.3
262N33.8Very low36.2Very low159 Ų159140.5 Ų140.585%0.8579%0.793SS**  trans-62154.2-177.2-160-4.2000112.6
263G33.8Very low37.1Very low66 Ų66136.7 Ų136.768%0.6879%0.787SS**  trans-89.2-179.7-169.300000115.6
264S25.8Very low38.2Very low91 Ų91136.3 Ų136.364%0.63680%0.798SS**  trans-151.1113.4159.5-175.30000109.7H266S264-H266 PolarHBondContact O-N 3.25Å
265W35.9Very low38.5Very low258 Ų258136 Ų13698%0.97780%0.803SS**  trans-8296.5175.2-78.888.8000109.5
266H37.2Very low39.3Very low170 Ų170141 Ų14179%0.78781%0.805SS**  trans-121.8111.5173.3-79.23.9000111.5S264S264-H266 PolarHBondContact O-N 3.25Å
267S34.9Very low40.4Very low128 Ų128139.6 Ų139.690%0.89581%0.809SS**  trans-60.7130.9-178-52.90000112.9
268R34.8Very low41.1Very low247 Ų247139.2 Ų139.293%0.93281%0.807SS**  trans-138.1105.1150.7-173.2165-70.5-150.4-1.5109
269G32.5Very low41.8Very low79 Ų79140 Ų14081%0.81481%0.812SS**  trans-73164.5-177.700000113.5
270G33.6Very low43.2Very low63 Ų63139.1 Ų139.165%0.64980%0.803SS**  trans173.179.1178.500000110.8Q272G270-Q272 PolarHBondContact O-N 3.05Å; G270-Q272 VanDerWaalsContact O-N 3.1Å
271I46Very low44.6Very low177 Ų177141 Ų14191%0.90880%0.801SS**  trans-65.3111.4176.6-63.1176.8000108.4
272Q40.3Very low45.8Very low186 Ų186135.2 Ų135.287%0.86980%0.795SS**  trans-104.1117.4171.3-68.2-17489.400108.6G270G270-Q272 PolarHBondContact O-N 3.05Å; G270-Q272 VanDerWaalsContact O-N 3.1Å
273G50.4Low46.9Very low60 Ų60130.6 Ų130.662%0.61979%0.785SS**PPolyproline II helixtrans-68.9169.6176.800000112.8
274P55.8Low48.2Very low126 Ų126133.3 Ų133.382%0.81879%0.791SS**PPolyproline II helixtrans-60.5146-178.325.5-34.6000112
275P46.2Very low49.5Very low124 Ų124135.1 Ų135.181%0.80580%0.801SS**PPolyproline II helixtrans-65141-174.526.4-34.7000112.1
276R57.5Low50.3Low239 Ų239125.8 Ų125.890%0.90278%0.784SS**PPolyproline II helixtrans-67.2146.5172.3-83-176.3166.6-132-0.2111.1
277P58.3Low51.5Low112 Ų112123.5 Ų123.573%0.72779%0.785SS**PPolyproline II helixtrans-64.6153.2167.729.8-35.2000110.9
278P61.3Low52.1Low115 Ų115123.7 Ų123.775%0.74778%0.783SS**PPolyproline II helixtrans-65.6152.4177.528.5-35.3000111.7G280P278-G280 PolarHBondContact O-N 3.26Å
279P61Low52.6Low130 Ų130114.9 Ų114.984%0.84477%0.769SS**PPolyproline II helixtrans-58.8135.9171-21.433.2000111.2
280G61.6Low53.8Low62 Ų62117 Ų11764%0.63977%0.768SS**PPolyproline II helixtrans-66157172.300000112P278P278-G280 PolarHBondContact O-N 3.26Å
281P64.9Low54.3Low121 Ų121120 Ų12079%0.78678%0.777SS**PPolyproline II helixtrans-61.2148.7176.727.3-35000111.1G283P281-G283 PolarHBondContact O-N 3.48Å
282P56.7Low53.8Low126 Ų126115.1 Ų115.182%0.81877%0.77SS**PPolyproline II helixtrans-61.2132.917826-34000110.5
283G55.6Low53.8Low62 Ų62111.7 Ų111.764%0.63977%0.767SS**PPolyproline II helixtrans-64.1156.8175.900000112.2P281P281-G283 PolarHBondContact O-N 3.48Å
284P62.9Low53.4Low124 Ų124115.1 Ų115.181%0.80578%0.778SS**PPolyproline II helixtrans-60.6147.2177.227.3-35000110.9G286P284-G286 PolarHBondContact O-N 2.76Å
285P51.7Low52.3Low129 Ų129113.3 Ų113.384%0.83878%0.782SS**PPolyproline II helixtrans-60.9129.718025.5-34000110.7
286G53.7Low51.6Low61 Ų61111.1 Ų111.163%0.62978%0.782SS**PPolyproline II helixtrans-65.6156.8174.900000112.1P284P284-G286 PolarHBondContact O-N 2.76Å
287P61.5Low50.4Low123 Ų123106 Ų10680%0.79978%0.777SS**PPolyproline II helixtrans-61.2147175.627.7-34.9000110.8G289P287-G289 PolarHBondContact O-N 2.86Å
288P46.8Very low49Very low131 Ų131105.3 Ų105.385%0.85178%0.775SS**PPolyproline II helixtrans-62.6128.3-178.125.8-34.1000111
289G46.9Very low47.5Very low63 Ų63104.7 Ų104.765%0.64977%0.774SS**PPolyproline II helixtrans-68.4153.1173.400000111.9P287P287-G289 PolarHBondContact O-N 2.86Å
290P57.4Low45.9Very low122 Ų122103.6 Ų103.679%0.79277%0.769SS**PPolyproline II helixtrans-63.3150.2174.628.4-34.8000111.1G292P290-G292 PolarHBondContact O-N 3.1Å
291P42.7Very low44.5Very low128 Ų128105.5 Ų105.583%0.83177%0.773SS**PPolyproline II helixtrans-64.9132.7-176.226.8-34.6000111.5
292G37.1Very low42.9Very low74 Ų74105 Ų10576%0.76377%0.772SS**PPolyproline II helixtrans-70.2160.4173.800000112.7P290P290-G292 PolarHBondContact O-N 3.1Å
293S38.8Very low41.7Very low114 Ų114102.2 Ų102.280%0.79777%0.766SS**  trans-142.3153.9168.5-76.70000108.3
294P42.2Very low42.1Very low132 Ų132105.3 Ų105.386%0.85778%0.775SS**  trans-70153.9-15425.4-34.7000114.3
295G32.4Very low41.3Very low87 Ų87104.7 Ų104.790%0.89777%0.771SS**  trans-72.6154.1-170.100000115.1
296G31.6Very low40.2Very low79 Ų79109.5 Ų109.581%0.81477%0.773SS**  trans-148.9136.4175.100000110.4
297T33.1Very low39.1Very low131 Ų131110.2 Ų110.280%0.80477%0.772SS**  trans-61.5151.9-169.347.70000116.7
298S28.5Very low37.7Very low97 Ų97110.1 Ų110.168%0.67878%0.775SS**  trans67.8128137.9630000122.7
299S29.5Very low36.9Very low102 Ų102115.5 Ų115.571%0.71378%0.778SS**  trans73.6116.8131.764.10000122.6
300S29.2Very low36.1Very low107 Ų107117.1 Ų117.175%0.74879%0.785SS**  95.6150.9124.379.80000121.8
301S31.3Very low34.7Very low103 Ų103115.4 Ų115.472%0.7278%0.776SS**  trans87.1131.1151.876.60000121.1
302S31.6Very low34.1Very low110 Ų110119.5 Ų119.577%0.76978%0.775SS**  trans41.3116.7143.4560000122.1
303G30.5Very low33.6Very low68 Ų68121.4 Ų121.470%0.70178%0.777SS**  89.5130.4104.600000118.5
304P65.6Low33.2Very low127 Ų127120.9 Ų120.983%0.82577%0.773SS**  trans-78.5171.9170.537.4-37000111
305P44.9Very low32.6Very low110 Ų110121.1 Ų121.171%0.71477%0.773SS**  -148.7175.7104.433.9-14000116
306W28.9Very low32.6Very low231 Ų231122.4 Ų122.488%0.87577%0.767SS**  trans2.8171.9148.989.4-34.8000122.4
307A30.5Very low32.7Very low75 Ų75129.4 Ų129.462%0.6277%0.769SS**  cis-175.8155.6-3500000109.8
308S32Very low32.9Very low122 Ų122129 Ų12985%0.85377%0.769SS**  trans175.5124.9154.7-82.60000108.5
309R29.6Very low33.3Very low244 Ų244135.1 Ų135.192%0.92178%0.777SS**  cis8394.712.8-163.1-174.4-130.5-86.3-1.1118.1
310A30.6Very low34.1Very low96 Ų96135.6 Ų135.679%0.79378%0.778SS**  trans176.2158.1144.300000109.1
311S29.2Very low34.1Very low87 Ų87135.4 Ų135.461%0.60878%0.777SS**  cis-173.5157.8-21.861.80000106.5
312R28.6Very low34.2Very low213 Ų213135.9 Ų135.980%0.80478%0.78SS**  cis-135.216610.3-64.591.6-161.9-94.22.5108.4
313S28Very low34.1Very low114 Ų114136.2 Ų136.280%0.79778%0.782SS**  cis95.555.28.886.30000119.9
314S29.2Very low34.1Very low104 Ų104138.9 Ų138.973%0.72779%0.79SS**  trans-156.9125.316154.90000111
315T30.6Very low32.5Very low137 Ų137137.6 Ų137.684%0.8479%0.79SS**  72.5127.392.9-51.70000112.6
316S31.1Very low31.9Very low113 Ų113143 Ų14379%0.7980%0.796SS**  cis-146.2179.921.950.90000115
317R33.6Very low33.5Very low227 Ų227136.5 Ų136.586%0.85778%0.784SS**  trans-98.4165.2167.9-117.8-179.4-172.6-1394.6109.6
318P38.9Very low34.3Very low123 Ų123138.1 Ų138.180%0.79979%0.788SS**  -151.5-170.463.940.9-19000117.8
319R35.7Very low34.3Very low224 Ų224139.9 Ų139.985%0.84578%0.783SS**  trans-126.3158.7167-92.3-172.7168.9-143.11.3108.9
320P47.2Very low34.4Very low113 Ų113132.9 Ų132.973%0.73477%0.771SS**  -127.4-143.699.742.8-36.1000110.1
321S29.4Very low34.4Very low103 Ų103139.9 Ų139.972%0.7278%0.777SS**  cis-158.3156.7-18.733.50000108.2
322S32.5Very low34.7Very low113 Ų113146.7 Ų146.779%0.7979%0.79SS**  cis127.866.4-2076.50000117.9
323S30.2Very low35.7Very low116 Ų116142.2 Ų142.281%0.81179%0.788SS**  trans-154.2143.8161.653.20000115.4
324S30.2Very low35.9Very low124 Ų124141.6 Ų141.687%0.86779%0.79SS**  trans29.6144.7148.4-62.50000122.8
325A32Very low36.4Very low100 Ų100141.9 Ų141.983%0.82679%0.792SS**  cis-159.6-167.4-1.600000112.1
326R32.6Very low37.4Very low224 Ų224141.3 Ų141.385%0.84579%0.79SS**  trans-144.8172.1-175.4-111-177.6172.2-111.14.4109.7
327P61.6Low37.6Very low95 Ų95142.2 Ų142.262%0.61779%0.791SS**  cis-107.1-122.3-21.943.5-29.3000107.3
328P48Very low37.5Very low109 Ų109137 Ų13771%0.70879%0.789SS**  cis-96.7-163.5-20.833.4-13.4000110.4
329E32.1Very low37.2Very low159 Ų159137.2 Ų137.274%0.74379%0.793SS**  cis77152.813.3-73163.994.600115.8
330S30.8Very low37.3Very low96 Ų96134.3 Ų134.367%0.67179%0.794SS**  cis-148.9137.710.949.50000115.2
331W31.1Very low37.7Very low243 Ų243133.7 Ų133.792%0.9279%0.789SS**  trans79.1161.1142.3-70.143000123
332R34.4Very low37.8Very low230 Ų230139 Ų13987%0.86880%0.795SS**  trans-111.4-166.2171.1-60.5177.4166.8-116.44.5107.9
333P50.8Low37.8Very low120 Ų120137.8 Ų137.878%0.77979%0.787SS**  cis-144-161.10.142.2-19.7000116.4
334A31.8Very low37.9Very low101 Ų101138.4 Ų138.484%0.83579%0.785SS**  trans93.7166.2146.600000121.1
335S40.5Very low38.1Very low109 Ų109143.8 Ų143.876%0.76279%0.787SS**  trans-107.4164.2-161510000114.2
336P50.6Low38.2Very low125 Ų125144.7 Ų144.781%0.81279%0.787SS**  trans-109.6150.9165.737.8-29.4000114.3
337T36.4Very low38.2Very low132 Ų132138.9 Ų138.981%0.8179%0.787SS**  trans-138.5144.7164.228.90000110.1
338C30.3Very low37Very low119 Ų119141.1 Ų141.180%0.80480%0.799SS**  trans37.3130.2161.6-61.80000121.4
339S33.4Very low36.3Very low127 Ų127140 Ų14089%0.88880%0.799SS**  -168.9159112.3-83.70000114.8
340L36.9Very low36.3Very low163 Ų163143.6 Ų143.685%0.85381%0.806SS**  trans-86.3-178.3176-96.7165.7000110.6
341P55.3Low36.4Very low99 Ų99144.9 Ų144.964%0.64381%0.81SS**  cis-155.6-167.145.732-2.5000119.3
342Y32.1Very low36.6Very low214 Ų214138.4 Ų138.484%0.83980%0.802SS**  trans74.8141.5171.9-72.4-97.5000117.8
343S31.9Very low37.5Very low89 Ų89133.1 Ų133.162%0.62280%0.797SS**  cis-167.4154.3-16.6-138.50000112.3
344V33.6Very low36.6Very low128 Ų128133.2 Ų133.278%0.77680%0.801SS**  trans60.7133.5152.91730000116.7
345R34Very low36.8Very low237 Ų237139.3 Ų139.389%0.89480%0.802SS**  cis-156.5166.840.1-154.2165.3-176.3-147.81.8112.4
346S33.4Very low37.5Very low119 Ų119139 Ų13983%0.83280%0.798SS**  trans-88.4150.5-176.7-0.90000115.3
347A34.2Very low37.4Very low103 Ų103138.5 Ų138.585%0.85179%0.794SS**  trans-158148.7150.600000111
348T36.3Very low37.3Very low141 Ų141138.1 Ų138.187%0.86579%0.792SS**  trans-118.4162-179.547.50000112.6
349A32.3Very low37.3Very low87 Ų87138.4 Ų138.472%0.71979%0.794SS**  trans107.1112.1147.800000119.6
350R33.1Very low37.3Very low233 Ų233143.9 Ų143.988%0.87980%0.795SS**  65.1144.5115.2-136.9-173-73.1-133.10120.6
351T32.5Very low37.3Very low123 Ų123144.8 Ų144.876%0.75580%0.8SS**  trans86104.3150-500000119.6
352S35.6Very low36.5Very low107 Ų107149.9 Ų149.975%0.74881%0.806SS**  trans-75.1168.9148.9-42.90000110.4
353P51.6Low36.9Very low120 Ų120144.6 Ų144.678%0.77980%0.798SS**  cis-143.1-179.114.743.5-25000116.7
354S33.2Very low37.8Very low122 Ų122146.7 Ų146.785%0.85381%0.81SS**  trans-168.6168.2150.522.30000112.4
355R35.1Very low37.9Very low229 Ų229144.5 Ų144.586%0.86480%0.8SS**  trans-126.1-174.3-178.1-58.9170.272.8-147.19.2109.2
356P55.5Low37.9Very low103 Ų103145 Ų14567%0.66980%0.802SS**  -116-161.9-66.636.2-18.5000110.2
357P49Very low37.8Very low113 Ų113144.4 Ų144.473%0.73480%0.798SS**  -147.9175.587.938.6-19.9000116.9
358T35.1Very low37.7Very low124 Ų124145.2 Ų145.276%0.76180%0.797SS**  trans-22.6145.5165.756.20000117.8
359C28.4Very low37.7Very low125 Ų125145 Ų14585%0.84580%0.795SS**  -154.7163.152.5-89.90000114
360R34.7Very low37.7Very low242 Ų242145.4 Ų145.491%0.91380%0.799SS**  trans-115.5147.8166.4-78.2-176172.2-170-2110.7
361L36.5Very low37.7Very low182 Ų182139.5 Ų139.595%0.95379%0.794SS**  trans-129.4149.5153-74.9175.5000109.5
362R39Very low37.8Very low206 Ų206139 Ų13978%0.77780%0.795SS**  trans-135.2142.4-175.7-178.4-177.4-179.3-99.54.8108.1
363P41.1Very low37.6Very low104 Ų104137.2 Ų137.268%0.67579%0.794SS**  trans-65.5157.1179.127-36000112.7
364P50.4Low37.8Very low133 Ų133137.8 Ų137.886%0.86480%0.797SS**  trans-78.5146.9-178.132.4-35.4000112.5
365S35.7Very low37.8Very low81 Ų81136.7 Ų136.757%0.56680%0.796SS**  trans-136.1116.4164.357.80000108.9
366W32.4Very low37.8Very low249 Ų249131.1 Ų131.194%0.94379%0.792SS**  trans-40.4149.7171.160.1-54.2000115.5
367S32.2Very low37.5Very low106 Ų106131.8 Ų131.874%0.74180%0.796SS**  trans-152.3125.4-178.558.80000112.4
368S32.4Very low36.7Very low119 Ų119136.9 Ų136.983%0.83280%0.801SS**  trans-171.1148.7162.3-73.70000108.7
369T35.7Very low36.5Very low136 Ų136136.7 Ų136.783%0.83480%0.8SS**  cis-153.3149.1-31.3-69.50000105.2
370A33.3Very low36.9Very low96 Ų96139 Ų13979%0.79380%0.803SS**  trans-101149.3-171.800000114.3
371S32.7Very low36.7Very low110 Ų110132 Ų13277%0.76979%0.791SS**  trans-169.6141.9136.953.90000114.4
372S34.7Very low36.4Very low112 Ų112128.4 Ų128.478%0.78378%0.781SS**  trans36.4123.9148.356.80000122.8
373G29.9Very low36.1Very low70 Ų70124.1 Ų124.172%0.72278%0.782SS**  trans-87.2-154.9145.900000111.9
374P57.3Low35.8Very low131 Ų131123.2 Ų123.285%0.85178%0.784SS**  cis-137.8-157.713.244.5-26.1000114.8
375A31.8Very low34.9Very low100 Ų100122.8 Ų122.883%0.82678%0.784SS**  trans95.2131.5162.200000119.2
376S35.3Very low35Very low112 Ų112130.3 Ų130.378%0.78380%0.8SS**  trans-97.2170.6175.9-41.70000111.1
377P49.3Very low36.2Very low117 Ų117123.6 Ų123.676%0.7679%0.788SS**  -151.8150.496.738.9-21.7000118.2
378R32.8Very low36.2Very low220 Ų220127.3 Ų127.383%0.8379%0.788SS**  trans50.2110.7135.9-69179.1171-98.60.4122.4
379T31.9Very low36.1Very low119 Ų119131.3 Ų131.373%0.7379%0.785SS**  49.7125.9124.163.90000122.7
380L35.7Very low36.2Very low175 Ų175129.9 Ų129.992%0.91678%0.776SS**  trans167.4158.1130.8-89160.8000106.8
381S29.7Very low37.2Very low95 Ų95131.1 Ų131.166%0.66478%0.776SS**  cis171.2161.7-35-179.80000106.2
382S30.5Very low37.4Very low105 Ų105132.4 Ų132.473%0.73478%0.779SS**  trans72.580.2154.9-50.70000120.4
383S33.1Very low37.3Very low116 Ų116130 Ų13081%0.81177%0.772SS**  19125.6115.3-161.60000121.3
384A34.5Very low37.3Very low85 Ų85137.1 Ų137.170%0.70278%0.783SS**  trans57.7131.3135.800000123.9
385S31.5Very low36Very low125 Ų125133.7 Ų133.787%0.87477%0.772SS**  -172.1164.9112.1-830000114.9
386R38.4Very low36Very low238 Ų238134.9 Ų134.990%0.89877%0.774SS**  trans-108.3-163.9174.7-68.3178.7158.6-144.6-0.5109.5
387P58.3Low36.1Very low108 Ų108135.9 Ų135.970%0.70178%0.775SS**  cis-122-130.4-10.623.35000112
388Y30.6Very low36.3Very low185 Ų185135.3 Ų135.373%0.72577%0.772SS**  cis-168167.43.9-139.8-8.3000114
389W30.6Very low36.3Very low203 Ų203130.4 Ų130.477%0.76977%0.766SS**  trans69.4149.6157.2-75107.4000124.8
390T37.9Very low36.4Very low105 Ų105132.5 Ų132.564%0.64477%0.772SS**  trans-128.9166.9173.257.30000110.4
391P55.2Low36.1Very low123 Ų123128.6 Ų128.680%0.79977%0.766SS**  -141159.7114.730.8-14000112.6
392V37.2Very low36.4Very low137 Ų137135.3 Ų135.383%0.8378%0.776SS**  cis105.7126.424.2177.60000114.1
393G31.2Very low37.3Very low62 Ų62136.2 Ų136.264%0.63978%0.779SS**  trans102.4141177.300000113.4
394F30.6Very low37.2Very low218 Ų218135.2 Ų135.296%0.95677%0.773SS**  cis-150.5173.8-3.4-96.8-97.4000107.1
395G29.8Very low37.2Very low59 Ų59135.5 Ų135.561%0.60877%0.77SS**  cis159.1160.2-3.300000112.3
396S33.1Very low37.1Very low126 Ų126140.4 Ų140.488%0.88177%0.769SS**  trans68.7156.7169.1-59.20000120.5
397T36.2Very low36.6Very low132 Ų132139.8 Ų139.881%0.8177%0.767SS**  trans-125.7-163.2-17963.80000108.8
398P54.8Low35.3Very low105 Ų105140.8 Ų140.868%0.68277%0.771SS**  cis-137.3-159.6-1430.6-4.9000113.9
399T32.2Very low35.3Very low117 Ų117137.4 Ų137.472%0.71877%0.77SS**  trans92.3115.3137.1-68.60000123.6
400L33.7Very low35.5Very low163 Ų163134.2 Ų134.285%0.85377%0.773SS**  trans65.3142.8143.5-10470.7000126.8
401A29.3Very low35.1Very low94 Ų94134 Ų13478%0.77778%0.775SS**  trans92.2122.613400000123.5
402R35.3Very low34Very low236 Ų236133.6 Ų133.689%0.89178%0.776SS**  trans-77158.5152.6-74.617165.6-156.53.3109.3
403P50.2Low33.6Very low123 Ų123132.3 Ų132.380%0.79977%0.773SS**  -141.8-16461.437-13.2000112.9
404S31.2Very low33.4Very low96 Ų96135 Ų13567%0.67178%0.78SS**  cis-169.114024.6-172.20000115.8
405S34.3Very low33.6Very low91 Ų91132.6 Ų132.664%0.63677%0.772SS**  trans56.1166.6152.679.60000119.3
406R28.6Very low34.5Very low227 Ų227134 Ų13486%0.85777%0.77SS**  cis-142.2179.316-171.9163.5-76.6-113.31112
407W29.4Very low34.5Very low226 Ų226138.2 Ų138.286%0.85677%0.767SS**  trans-109.2178.9-157.9-75.763.4000115.6
408T30.9Very low34.2Very low128 Ų128138.4 Ų138.479%0.78576%0.763SS**  trans94.7150.1156.571.80000118.6
409T30Very low33.1Very low115 Ų115140.9 Ų140.971%0.70677%0.769SS**  cis-166.2121.5-29.9-83.20000108.9
410T35.1Very low34.2Very low135 Ų135140.5 Ų140.583%0.82877%0.769SS**  trans173.115415223.90000108.2
411S29.4Very low34.1Very low100 Ų100138.6 Ų138.670%0.69977%0.769SS**  cis175.773.2-48.550.80000109.1
412S31.8Very low34.2Very low116 Ų116137.6 Ų137.681%0.81176%0.761SS**  trans-166.481.5168.442.70000109.1
413S29.1Very low33.9Very low110 Ų110137.6 Ų137.677%0.76976%0.761SS**  74.493.265.6-163.20000114.1
414C26.2Very low33.2Very low117 Ų117141 Ų14179%0.79176%0.758SS**  trans72.2104.9143.9-68.10000122
415E34.9Very low33.4Very low168 Ų168142 Ų14279%0.78575%0.752SS**  -54.3154.6113.3-121.1-141.1103.800109.9
416P48.7Very low33.4Very low88 Ų88144.2 Ų144.257%0.57175%0.752SS**  cis-148.4-174.527.638.8-16000117
417R33.2Very low33.8Very low215 Ų215141.3 Ų141.381%0.81175%0.748SS**  trans68.2147.1136.5-94175-166.5-109.80.4123.5
418L30.4Very low34.2Very low137 Ų137134.8 Ų134.872%0.71774%0.742SS**  trans94.6104.4149.7-66.1154.9000121.8
419L30.7Very low35Very low156 Ų156134.3 Ų134.382%0.81774%0.741SS**  74.7163.4127.4-69.4179.5000121.3
420P56.3Low35.1Very low110 Ų110137.5 Ų137.571%0.71475%0.748SS**  trans-123.4169.5-15244.4-33.3000116.2
421S30.3Very low35.1Very low122 Ų122142 Ų14285%0.85375%0.75SS**  trans-171.7157.3158.7-86.10000108.6
422A33.3Very low35.4Very low74 Ų74146 Ų14661%0.61276%0.758SS**  cis-168146.4-12.300000109.1
423W27.9Very low36Very low235 Ų235146 Ų14689%0.8975%0.754SS**  trans53135.4150.5-66.958.2000118.9
424R34.7Very low36.2Very low195 Ų195152.2 Ų152.274%0.73676%0.761SS**  -173.1129.169.8169177.1-72.5-95.75.2111.8
425E35.3Very low36.9Very low116 Ų116151.1 Ų151.154%0.54276%0.76SS.*  trans48.9148.6148-61.1178.691.300121.1
426Q34.6Very low37.2Very low139 Ų139149.6 Ų149.665%0.6577%0.765SS**  cis-152.8174.4-5.7-119.7-172.177.800106.5
427H37.5Very low36.4Very low166 Ų166149.3 Ų149.377%0.76978%0.778SS**  cis-127.7-1619.8-50.9-90.7000111.3
428A37.4Very low36.4Very low88 Ų88143.5 Ų143.573%0.72778%0.776SS**  trans-137.1175.5162.100000108.8
429P47.4Very low36.6Very low118 Ų118147 Ų14777%0.76679%0.786SS**  -141.5128.378.928.7-7.8000114.5
430Q32.3Very low36.9Very low182 Ų182150.6 Ų150.685%0.8579%0.788SS**  100.8152.6101.7-75-99.414.900114.7
431R34.9Very low36.1Very low231 Ų231151.6 Ų151.687%0.87280%0.795SS**  trans-141.3154.7-177-97.4-173.9166-152.40.3109.3
432Q35.8Very low36.4Very low183 Ų183152 Ų15286%0.85579%0.792SS**  trans154.4169.9137.4-89.8-164.864.800111.5
433P44.9Very low36.6Very low115 Ų115159.1 Ų159.175%0.74780%0.803SS**  cis-125.3-143.4-41.836.7-19.9000111.1
434R34.4Very low37.3Very low242 Ų242154.2 Ų154.291%0.91380%0.801SS**  trans-96.4157.3-173.8-76.6-176.9169.2-167.1-2.4114.9
435A39.8Very low37.4Very low93 Ų93149 Ų14977%0.76980%0.8SS**  trans-8.5148.9151.900000118.6
436P40.6Very low37.4Very low136 Ų136148.5 Ų148.588%0.88382%0.815SS**  -147-178.650.742.8-24.1000117.4
437G32.2Very low37.3Very low82 Ų82146.8 Ų146.885%0.84583%0.825SS**  trans150.7133.2164.500000114
438A33.6Very low37.3Very low93 Ų93147 Ų14777%0.76983%0.83SS**  trans-120.2148-179.100000112.6
439K34.5Very low37.3Very low212 Ų212154.4 Ų154.492%0.92284%0.839SS**  trans-171.8148135.5-100.7149.7-171.11780111.8
440R37.4Very low36.8Very low231 Ų231158 Ų15887%0.87284%0.843SS**  trans-85.7148177.3-59.4175.5172.3-172.8-3.9110.9
441P39.1Very low37.1Very low130 Ų130158.9 Ų158.984%0.84485%0.847SS**  trans-70.2154149.332.3-32.2000110.2
442V37.1Very low37.1Very low131 Ų131159.1 Ų159.179%0.79485%0.848SS**  trans-111.9143.3-167.5174.50000111.4
443R37.8Very low37.3Very low223 Ų223158.2 Ų158.284%0.84285%0.848SS**  trans-59.9132.4169.8-79.8175.1150.2-169.7-5.9111.1
444P42.7Very low36.8Very low133 Ų133163.9 Ų163.986%0.86486%0.855SS**  trans-71.2140.2143.332.1-30.3000108.9
445A36.3Very low36.9Very low86 Ų86158.2 Ų158.271%0.71185%0.852SS**  trans-128.7162.9174.800000110.2
446A34.6Very low36.8Very low104 Ų104165.8 Ų165.886%0.8686%0.861SS**  trans65106.7172.100000117.8
447A33.6Very low36.7Very low103 Ų103165.4 Ų165.485%0.85186%0.856SS**  trans-157.869.7133.900000111R449A447-R449 PolarHBondContact O-N 3.29Å
448I37.5Very low36.9Very low171 Ų171172.9 Ų172.988%0.87786%0.859SS**  trans-79.8114.2161.7-63.7176.5000107.2
449R37.2Very low37.1Very low243 Ų243180 Ų18092%0.91787%0.866SS**  trans-145.4138.2160.9-119.8177.3-175.5-179.60.8112A447A447-R449 PolarHBondContact O-N 3.29Å
450F37Very low37.2Very low193 Ų193178.8 Ų178.885%0.84686%0.863SS**  trans-53.9138.6-176.9-82.7-124.1000113.5
451Q37.6Very low37.1Very low201 Ų201171.5 Ų171.594%0.93986%0.86SS**  trans-154.285.3134.8-119.4170.277.900111.6
452R36.2Very low37.2Very low236 Ų236171.7 Ų171.789%0.89186%0.859SS**  trans-109.684.2170-174.1-167.2-172.4-148.74109.2
453L39.3Very low37.4Very low164 Ų164173.2 Ų173.286%0.85986%0.86SS**  trans-157155.2168.1-145.172.1000112.2
454R34.8Very low37.9Very low235 Ų235168.8 Ų168.889%0.88786%0.858SS**  trans82.186.3177.7-55.8179.3178.8-108.7-0.6117.6
455S35.3Very low37.9Very low122 Ų122165.4 Ų165.485%0.85385%0.848SS**  trans-173.239.7134.553.70000115T457S455-T457 PolarHBondContact O-N 3.04Å
456W37.8Very low38.9Very low253 Ų253167.5 Ų167.596%0.95885%0.854SS**  trans-94.591.1166.3-169.843.6000110.5
457T39.2Very low40.2Very low127 Ų127168 Ų16878%0.77985%0.848SS**  trans-171.495.4166.92.10000110.7S455S455-T457 PolarHBondContact O-N 3.04Å
458R35.7Very low40.6Very low240 Ų240176.1 Ų176.191%0.90687%0.869SS**  trans172.297.7149.9-99.7176.6-158.2-130.44.5112.2
459R37.6Very low40.7Very low243 Ų243176.4 Ų176.492%0.91787%0.869SS**  -155.7154.6122.1-139162.7-73.1-145.82.4109.4
460H38.4Very low40.9Very low185 Ų185172.9 Ų172.986%0.85687%0.866SS**  trans-82.3156.6-176.5-73-126.2000111
461G33.6Very low41.1Very low79 Ų79171.8 Ų171.881%0.81487%0.867SS**  trans-169.754.7178.300000111.2
462V42.2Very low41.3Very low134 Ų134170.1 Ų170.181%0.81286%0.863SS**  trans-84.1126.2171.9174.30000108.3
463I40.5Very low41.6Very low162 Ų162165.9 Ų165.983%0.83186%0.861SS**  trans-157.4148.9151.6-100.2144.9000108.2
464T48.5Very low41.8Very low130 Ų130166.1 Ų166.180%0.79886%0.861SS**  trans-51.2156.7-168.550.90000118.3
465G44.2Very low42.3Very low62 Ų62161.1 Ų161.164%0.63986%0.86SS**  trans-78.1-146.3155.500000112.1
466P56.5Low42.8Very low131 Ų131164.2 Ų164.285%0.85186%0.86SS**  cis-129.1-130.523.536-10.8000113.1
467P62.3Low43.3Very low113 Ų113156.8 Ų156.873%0.73485%0.852SS**  -131.4159.8-122.840.6-20.7000117.9
468E40.5Very low43.6Very low275 Ų275159.5 Ų159.5100%1.28586%0.858SS**  -153.40114.8-100.4-166.5126.200109.1

Retrieved 468 of 468 residues in 215.1 ms (Link to these results)