A0A096MYH6_PAPAN Loading...

Paired like homeobox 2A

AlphaFold DB , UniProt , Accession A0A096MYH6, Species PAPAN (Papio anubis, Olive baboon), Gene PHOX2A, Length 284 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
1M45.8Very low57Low206 Ų206138.6 Ų138.6100%1.01570%0.702SS**  094.30-98.294.7168.900106.3Y3M1-Y3 PolarHBondContact O-N 3.06Å
2D43.2Very low57.4Low143 Ų143133.4 Ų133.477%0.76569%0.686SS**  trans-105.895.7-150.5-29-60000107S4D2-S4 PolarHBondContact O-N 2.83Å
3Y49.9Very low58.5Low200 Ų200127.7 Ų127.778%0.78466%0.661SS**THydrogen-bonded Turntrans-68.3-0.6-171.8-92-90.2000114.8M1M1-Y3 PolarHBondContact O-N 3.06Å
4S59.2Low58.9Low102 Ų102122 Ų12271%0.71364%0.642SS**Hα-helixtrans-76-24.3-174.1-36.30000113.7D2D2-S4 PolarHBondContact O-N 2.83Å
5Y56.9Low58.8Low191 Ų191117.9 Ų117.975%0.74963%0.633SS**Hα-helixtrans-79.9-31.8-174.3-166.8-102.6000113.1N7Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.76Å
6L60.2Low59.2Low122 Ų122119.6 Ų119.664%0.63964%0.638SS**Hα-helixtrans-68.5-32.1177.4-98.7161000112.6S8 Y9 D10L6-S8 PolarHBondContact O-N 3Å; L6-Y9 PolarHBondContact O-N 3.38Å; L6-D10 WeakPolarHBondContact O-CB 3.46Å; L6-D10 PolarHBondContact O-N 3.21Å
7N57.5Low59.1Low122 Ų122120.3 Ų120.365%0.65264%0.636SS**Hα-helixtrans-72.7-31.7-176.3-136.912.2000112.6Y5 S11Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.76Å; N7-S11 WeakPolarHBondContact O-CB 3.42Å; N7-S11 PolarHBondContact O-N 3.41Å; N7-S11 VanDerWaalsContact O-N 3.12Å
8S62.8Low58.9Low89 Ų89117.8 Ų117.862%0.62264%0.635SS**Hα-helixtrans-76.2-29.4176.4-168.50000112.5L6 C12L6-S8 PolarHBondContact O-N 3Å; S8-C12 WeakPolarHBondContact O-CB 3.33Å; S8-C12 PolarHBondContact O-N 3.1Å
9Y61.5Low58.7Low159 Ų159117.1 Ų117.162%0.62464%0.64SS**Hα-helixtrans-77.8-44.2178.1-157.3-93.2000110.9L6 S11 C12 V13L6-Y9 PolarHBondContact O-N 3.38Å; Y9-S11 PolarHBondContact O-N 3.16Å; Y9-C12 PolarHBondContact O-N 3.44Å; Y9-V13 HydrophobicContact CD1-CG2 4.02Å; Y9-V13 HydrophobicContact CE1-CG2 3.94Å; Y9-V13 WeakPolarHBondContact O-CG2 3.44Å; Y9-V13 PolarHBondContact O-N 3.28Å
10D64.4Low58.5Low109 Ų109114.9 Ų114.958%0.58364%0.638SS**Hα-helixtrans-63.2-40.7176.4-157.8-96.3000111.6L6 C12 V13 A14L6-D10 WeakPolarHBondContact O-CB 3.46Å; L6-D10 PolarHBondContact O-N 3.21Å; D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.23Å; D10-V13 PolarHBondContact O-N 2.9Å; D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.42Å
11S65.9Low58.1Low82 Ų82119.9 Ų119.957%0.57365%0.649SS**Hα-helixtrans-68.2-27.2176.5-164.50000113.7N7 Y9 A15N7-S11 WeakPolarHBondContact O-CB 3.42Å; N7-S11 PolarHBondContact O-N 3.41Å; N7-S11 VanDerWaalsContact O-N 3.12Å; Y9-S11 PolarHBondContact O-N 3.16Å; S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.96Å
12C61.3Low58.2Low76 Ų76113.3 Ų113.351%0.51463%0.634SS.*Hα-helixtrans-81.2-36.4177.1-144.80000111.3S8 Y9 D10 M16S8-C12 WeakPolarHBondContact O-CB 3.33Å; S8-C12 PolarHBondContact O-N 3.1Å; Y9-C12 PolarHBondContact O-N 3.44Å; D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.23Å; C12-M16 PolarHBondContact O-N 2.95Å
13V72.1Confident58.4Low59 Ų59113.4 Ų113.436%0.35864%0.635SS.*Hα-helixtrans-69.3-42.2173.2174.30000110.9Y9 D10 A15 M16 E17Y9-V13 HydrophobicContact CD1-CG2 4.02Å; Y9-V13 HydrophobicContact CE1-CG2 3.94Å; Y9-V13 WeakPolarHBondContact O-CG2 3.44Å; Y9-V13 PolarHBondContact O-N 3.28Å; D10-V13 PolarHBondContact O-N 2.9Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.48Å; V13-M16 PolarHBondContact O-N 3.08Å; V13-M16 VanDerWaalsContact O-N 3.1Å; V13-E17 PolarHBondContact O-N 3.34Å
14A63.6Low58.2Low48 Ų48114.3 Ų114.340%0.39764%0.643SS.*Hα-helixtrans-63.3-34.4176.400000112.8D10 A18D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.42Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.43Å
15A57.5Low57.2Low61 Ų61112.1 Ų112.150%0.50464%0.636SS.*Hα-helixtrans-69.4-33.4173.700000112.7S11 V13 S19S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.96Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.48Å; A15-S19 PolarHBondContact O-OG 3.38Å
16M65.9Low56.8Low144 Ų144107.5 Ų107.571%0.70964%0.638SS**Hα-helixtrans-72.7-38.8173.7-74.9-173.8-179.700112.1C12 V13 S19C12-M16 PolarHBondContact O-N 2.95Å; V13-M16 PolarHBondContact O-N 3.08Å; V13-M16 VanDerWaalsContact O-N 3.1Å; M16-S19 PolarHBondContact O-N 3.09Å
17E57Low55.7Low132 Ų132108 Ų10862%0.61765%0.65SS**Hα-helixtrans-76.3-30.8179.4-73.7-170.2143.700113.6V13 S19 A20V13-E17 PolarHBondContact O-N 3.34Å; E17-S19 PolarHBondContact O-N 2.9Å; E17-A20 PolarHBondContact O-N 3.22Å
18A55.3Low55.6Low75 Ų75107.7 Ų107.762%0.6266%0.657SS**Hα-helixtrans-63.9-22.2174.300000113.1A14A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.43Å
19S54.5Low55Low104 Ų104111.9 Ų111.973%0.72767%0.667SS**THydrogen-bonded Turntrans-82.6-12.9174.9-55.70000113.1A15 M16 E17A15-S19 PolarHBondContact O-OG 3.38Å; M16-S19 PolarHBondContact O-N 3.09Å; E17-S19 PolarHBondContact O-N 2.9Å
20A54.6Low54.6Low73 Ų73109.9 Ų109.960%0.60367%0.673SS**THydrogen-bonded Turntrans-96.2-14.1-175.900000114E17E17-A20 PolarHBondContact O-N 3.22Å
21Y50Low53.4Low221 Ų221107.9 Ų107.987%0.86768%0.679SS**SBendtrans-127.222.8-178.9-82.6-80.8000114.4D23Y21-D23 PolarHBondContact O-N 2.94Å
22G47.8Very low52.8Low67 Ų67107.9 Ų107.969%0.69169%0.692SS**SBendtrans-85.2102.5172.100000112.8
23D47.5Very low51.7Low146 Ų146112.8 Ų112.878%0.78171%0.705SS**  trans82.878.8159.6-136.2-77.1000118.2Y21 G25Y21-D23 PolarHBondContact O-N 2.94Å; D23-G25 PolarHBondContact OD1-N 3.16Å
24F46.8Very low50.9Low218 Ų218119 Ų11996%0.95673%0.73SS**  trans-97.269.7149.5-152.2-93.2000108.5
25G38.3Very low49.7Very low56 Ų56127 Ų12758%0.57775%0.751SS**  trans-86113.8170.200000111.5D23D23-G25 PolarHBondContact OD1-N 3.16Å
26A49Very low49.2Very low95 Ų95128.7 Ų128.779%0.78576%0.759SS**  trans-58131.2-17700000115.3
27C36.9Very low48.4Very low131 Ų131127.8 Ų127.889%0.88576%0.764SS**  trans-130.478.5145.765.80000109.7
28S55.4Low47.7Very low116 Ų116129.7 Ų129.781%0.81178%0.778SS**  trans-77.1121.6159.4-172.30000107.8
29Q49.8Very low47.5Very low178 Ų178137 Ų13783%0.83279%0.789SS**  trans-167.9147.6140.7-91.9-90.5-0.700109.9
30P53.1Low47.3Very low116 Ų116137.2 Ų137.275%0.75379%0.788SS**  trans-95.8120.8-169.332.8-19000111
31G39.8Very low47.2Very low67 Ų67138.4 Ų138.469%0.69180%0.798SS**  trans-128.3108.1171.500000109.3F33G31-F33 PolarHBondContact O-N 2.99Å
32G53Low46.7Very low82 Ų82137.2 Ų137.285%0.84580%0.797SS**  trans-61.9126.3176.100000111.2
33F38.1Very low46.9Very low180 Ų180140 Ų14079%0.78980%0.804SS**  trans-125.8109.9162.6-96.6-88000108.8G31 Y35G31-F33 PolarHBondContact O-N 2.99Å; F33-Y35 HydrophobicContact CB-CE2 4.48Å; F33-Y35 PolarHBondContact O-N 2.78Å
34Q54.4Low47Very low189 Ų189138 Ų13888%0.88381%0.808SS**  trans-61.4120.9163.7-73.1-173.144.100108.7
35Y39Very low47.4Very low216 Ų216132.9 Ų132.985%0.84781%0.805SS**  trans-93.2105.4166.9-89-90.7000109.7F33F33-Y35 HydrophobicContact CB-CE2 4.48Å; F33-Y35 PolarHBondContact O-N 2.78Å
36S48Very low48Very low96 Ų96133.4 Ų133.467%0.67181%0.81SS**  trans-78.4130.5158.1-920000109.6L38S36-L38 PolarHBondContact O-N 3.33Å
37P48.6Very low48.6Very low126 Ų126134.5 Ų134.582%0.81881%0.81SS**  trans-8799171.132.7-28.2000109.6R39P37-R39 PolarHBondContact O-N 3.22Å
38L41.4Very low49.3Very low171 Ų171134.5 Ų134.590%0.89581%0.808SS**  trans-9099.5165.9-68.3177.2000109.4S36S36-L38 PolarHBondContact O-N 3.33Å
39R52Low48.8Very low230 Ų230134.8 Ų134.887%0.86881%0.808SS**PPolyproline II helixtrans-85.6139.9165.7-175.9-176177.2166.90.8108.7P37 A41P37-R39 PolarHBondContact O-N 3.22Å; R39-A41 PolarHBondContact O-N 2.76Å
40P49.3Very low49.1Very low108 Ų108132 Ų13270%0.70181%0.806SS**PPolyproline II helixtrans-68.2128.6169.5-1125.7000110.2
41A52.3Low48.9Very low98 Ų98131.3 Ų131.381%0.8181%0.81SS**PPolyproline II helixtrans-75.7132173.600000110.9R39R39-A41 PolarHBondContact O-N 2.76Å
42F40.9Very low49.3Very low195 Ų195136.7 Ų136.786%0.85582%0.822SS**  trans-124.7144.9154.4-83.4-79.1000108
43P50.3Low48.9Very low126 Ų126135.9 Ų135.982%0.81881%0.813SS**  trans-75.9147-160.929.8-34.1000113.4
44A50.8Low49.5Very low105 Ų105133.1 Ų133.187%0.86882%0.816SS**  trans-72.612517700000112
45A56.1Low48.9Very low110 Ų110129.9 Ų129.991%0.90982%0.815SS**  trans-157.390.1150.900000109.2
46G50.5Low49.2Very low66 Ų66127 Ų12768%0.6881%0.814SS**SBendtrans-175.3137.1172.500000110.6
47P60.6Low49.2Very low119 Ų119128.9 Ų128.977%0.77383%0.826SS**PPolyproline II helixtrans-69153.7-172.928-33.7000112.5C49P47-C49 PolarHBondContact O-N 2.99Å
48P51.1Low49.2Very low130 Ų130127.3 Ų127.384%0.84482%0.823SS**PPolyproline II helixtrans-73.1124-166.828.6-33.8000112.5
49C46.5Very low49.7Very low122 Ų122127.7 Ų127.782%0.82483%0.825SS**PPolyproline II helixtrans-83.8128163.1-57.80000109.3P47P47-C49 PolarHBondContact O-N 2.99Å
50P55.4Low49.6Very low121 Ų121120.5 Ų120.579%0.78682%0.823SS**PPolyproline II helixtrans-70.513617427.9-31.4000110.8L52P50-L52 PolarHBondContact O-N 2.79Å
51A48.9Very low49.1Very low100 Ų100120.2 Ų120.283%0.82683%0.83SS**PPolyproline II helixtrans-65.1126.4178.800000111.3G53A51-G53 PolarHBondContact O-N 3.5Å; A51-G53 VanDerWaalsContact O-N 3.12Å
52L47.3Very low49.2Very low180 Ų180123.9 Ų123.994%0.94284%0.835SS**  trans-74.298.5168.1-73.6166.1000108.8P50P50-L52 PolarHBondContact O-N 2.79Å
53G45.5Very low49.5Very low65 Ų65124.7 Ų124.767%0.6783%0.832SS**  trans-71.3153.3165.400000111.9A51 S55A51-G53 PolarHBondContact O-N 3.5Å; A51-G53 VanDerWaalsContact O-N 3.12Å; G53-S55 PolarHBondContact O-N 2.73Å
54S50.4Low49.4Very low122 Ų122125.6 Ų125.685%0.85383%0.83SS**  trans-30117.6178.7-68.90000114.9N56S54-N56 PolarHBondContact O-N 2.81Å
55S43Very low49.5Very low122 Ų122128.8 Ų128.885%0.85383%0.826SS**  trans-71.192.217053.80000110.4G53G53-S55 PolarHBondContact O-N 2.73Å
56N44.8Very low48.8Very low156 Ų156131.9 Ų131.983%0.83482%0.822SS**  trans-73.2119155.1-108.68000108.1S54 A58S54-N56 PolarHBondContact O-N 2.81Å; N56-A58 PolarHBondContact O-N 3.02Å; N56-A58 VanDerWaalsContact O-N 3.1Å
57C47.2Very low48.5Very low135 Ų135134.3 Ų134.391%0.91283%0.826SS**  trans-74.691.2170.349.70000109.7
58A48.8Very low47.9Very low93 Ų93132.8 Ų132.877%0.76982%0.823SS**  trans-101.7117.7166.500000109.7N56N56-A58 PolarHBondContact O-N 3.02Å; N56-A58 VanDerWaalsContact O-N 3.1Å
59L52.3Low48Very low178 Ų178132.9 Ų132.993%0.93282%0.824SS**  trans-49.3134.1164.9-89.2153.9000111.2
60G49.3Very low48.1Very low79 Ų79135.5 Ų135.581%0.81482%0.818SS**  trans47.184.5147.200000117.9
61A39.3Very low48Very low103 Ų103134.7 Ų134.785%0.85182%0.815SS**  trans-96.1108.8148.900000108.1R63A61-R63 PolarHBondContact O-N 3.22Å
62L53.3Low48.5Very low174 Ų174133.5 Ų133.591%0.91181%0.805SS**  trans-53.1101.6166.8-146.989.1000107.8D64L62-D64 PolarHBondContact O-N 3.26Å
63R48.1Very low49.2Very low213 Ų213130 Ų13080%0.80479%0.791SS**  trans-81.5107.3168.9-168.998.186158.96.7106.5A61 H65A61-R63 PolarHBondContact O-N 3.22Å; R63-H65 PolarHBondContact O-CD2 3.15Å; R63-H65 PolarHBondContact O-N 2.83Å
64D48.4Very low49.7Very low145 Ų145132.2 Ų132.278%0.77579%0.793SS**  trans-52.7107.6168.8-157.9-87.7000108.9L62 Q66L62-D64 PolarHBondContact O-N 3.26Å; D64-Q66 PolarHBondContact O-N 3.12Å
65H51.9Low49.7Very low171 Ų171136 Ų13679%0.79279%0.791SS**  trans-85.2100.6176.1-84.1-79.3000108.3R63R63-H65 PolarHBondContact O-CD2 3.15Å; R63-H65 PolarHBondContact O-N 2.83Å
66Q42.5Very low50.2Low176 Ų176138 Ų13882%0.82278%0.784SS**  trans-56.9127.3160.3-153.6-16111.100108.8D64 A68D64-Q66 PolarHBondContact O-N 3.12Å; Q66-A68 PolarHBondContact O-N 3.03Å
67P44.5Very low50.3Low117 Ų117138.9 Ų138.976%0.7678%0.78SS**  trans-73.8114.4-176.827.7-33000110.4
68A46.6Very low50.4Low86 Ų86141.1 Ų141.171%0.71178%0.775SS**  trans-62.8136.7162.500000108.8Q66 Y70Q66-A68 PolarHBondContact O-N 3.03Å; A68-Y70 PolarHBondContact O-N 3.45Å
69P53.4Low50.6Low132 Ų132141.2 Ų141.286%0.85777%0.768SS**  trans-63.7110.9177.125.3-31.5000109.2S71P69-S71 PolarHBondContact O-N 3.37Å
70Y48.9Very low50.6Low178 Ų178139.9 Ų139.970%0.69876%0.757SS**  trans-50.2112177.4-174.1-103.8000110.6A68 A72A68-Y70 PolarHBondContact O-N 3.45Å; Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 HydrophobicContact CD1-CB 3.8Å; Y70-A72 HydrophobicContact CE1-CB 3.88Å; Y70-A72 PolarHBondContact O-N 3.42Å
71S53.1Low50.7Low104 Ų104141.2 Ų141.273%0.72775%0.751SS**  trans-65.599.8158.3-177.70000106.5P69 V73P69-S71 PolarHBondContact O-N 3.37Å; S71-V73 PolarHBondContact O-N 3.02Å
72A60.8Low51.5Low75 Ų75140.9 Ų140.962%0.6274%0.743SS**  trans-68.183.1176.700000109.7Y70Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 HydrophobicContact CD1-CB 3.8Å; Y70-A72 HydrophobicContact CE1-CB 3.88Å; Y70-A72 PolarHBondContact O-N 3.42Å
73V60.3Low51.4Low105 Ų105135.3 Ų135.364%0.63673%0.727SS**  trans-64.3128.5157.1-74.20000107.5S71 Y75S71-V73 PolarHBondContact O-N 3.02Å; V73-Y75 PolarHBondContact O-N 2.93Å
74P57.5Low51.7Low112 Ų112130.9 Ų130.973%0.72772%0.719SS**  trans-64.4111.9-178.524.3-30.9000108.3K76P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 2.56Å
75Y49.8Very low51.8Low203 Ų203132.4 Ų132.480%0.79672%0.721SS**  trans-58.299.3171.9-167.8-98000107.3V73 F77V73-Y75 PolarHBondContact O-N 2.93Å; Y75-F77 VanDerWaalsContact C-N 3.27Å; Y75-F77 PolarHBondContact O-N 3.27Å
76K52.8Low52Low163 Ų163131.5 Ų131.571%0.70972%0.717SS**  trans-60.5101.9164.4-70.3-72.6-176.5172.20105.5P74 F78P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 2.56Å; K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 VanDerWaalsContact O-CD2 3.29Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.29Å
77F47.9Very low52.6Low174 Ų174131.5 Ų131.576%0.76371%0.714SS**  trans-52.492.7164.3-174.6-95.2000107.6Y75 P79Y75-F77 VanDerWaalsContact C-N 3.27Å; Y75-F77 PolarHBondContact O-N 3.27Å; F77-P79 WeakPolarHBondContact O-CD 3.37Å
78F49.3Very low53.2Low182 Ų182136.3 Ų136.380%0.79872%0.717SS**  trans-74.7117.1163.2-78.5-86.3000106K76 E80K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 VanDerWaalsContact O-CD2 3.29Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.29Å; F78-E80 PolarHBondContact O-N 2.62Å
79P52.7Low54Low96 Ų96142 Ų14262%0.62373%0.726SS**  trans-59129.7168.9-16.329.8000108.1F77 P81F77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.41Å
80E52.7Low55Low149 Ų149143.4 Ų143.470%0.69672%0.721SS**  trans-42.1115.9166.8-175.5-148.6142.100111F78 S82F78-E80 PolarHBondContact O-N 2.62Å; E80-S82 PolarHBondContact O-N 2.98Å; E80-S82 VanDerWaalsContact OE1-CA 3.31Å; E80-S82 WeakPolarHBondContact OE1-CA 3.48Å; E80-S82 WeakPolarHBondContact OE1-CB 3.26Å; E80-S82 PolarHBondContact OE1-OG 3.15Å
81P51.8Low56.7Low108 Ų108145.4 Ų145.470%0.70173%0.727SS**  trans-8095.6152.831.2-25.9000106.5P79 G83P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-G83 PolarHBondContact O-N 3.12Å
82S54.4Low58.1Low96 Ų96150.7 Ų150.767%0.67173%0.732SS**THydrogen-bonded Turntrans-47.8112.7162.4-39.20000108.1E80E80-S82 PolarHBondContact O-N 2.98Å; E80-S82 VanDerWaalsContact OE1-CA 3.31Å; E80-S82 WeakPolarHBondContact OE1-CA 3.48Å; E80-S82 WeakPolarHBondContact OE1-CB 3.26Å; E80-S82 PolarHBondContact OE1-OG 3.15Å
83G52.8Low59.5Low57 Ų57153.7 Ų153.759%0.58874%0.736SS**THydrogen-bonded Turntrans120.322.3163.200000119.6P81P81-G83 PolarHBondContact O-N 3.12Å
84L53.4Low61Low119 Ų119159 Ų15962%0.62374%0.744SS**  trans-13346.7168.6-65.6-179.2000113.9E86L84-E86 PolarHBondContact O-N 3.46Å
85H50.1Low62.8Low177 Ų177155.8 Ų155.882%0.81972%0.722SS**G310 helixtrans-8311.3171.3-91.4-58.4000113.9K87H85-K87 VanDerWaalsContact C-N 3.34Å; H85-K87 PolarHBondContact O-N 2.87Å
86E56.4Low64.9Low153 Ų153151.9 Ų151.972%0.71572%0.72SS**G310 helixtrans-82-2.1176.2-74.968.2-149.600114.5L84 R88L84-E86 PolarHBondContact O-N 3.46Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.36Å
87K54.6Low67.1Low175 Ų175147 Ų14776%0.76170%0.699SS**G310 helixtrans-83.96.3179.5-66.3177.7-178.1175.70114.4H85 K89H85-K87 VanDerWaalsContact C-N 3.34Å; H85-K87 PolarHBondContact O-N 2.87Å; K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.18Å
88R58.8Low69.4Low219 Ų219142.4 Ų142.483%0.82669%0.685SS**SBendtrans-78.683.9168-172.5-177.8-103144.7-7.2108.2E86 Q90E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.36Å; R88-Q90 PolarHBondContact O-N 3.48Å
89K63.5Low71.8Confident205 Ų205137.6 Ų137.689%0.89167%0.674SS**  trans3.284.6171.6-81.3169.5176.5172.90112.8K87 R91K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.18Å; K89-R91 PolarHBondContact O-N 3.26Å
90Q74.4Confident73.9Confident161 Ų161136.3 Ų136.375%0.75267%0.672SS**  trans-57.7113.7178.6-175.364.816.900107.7R88 R92R88-Q90 PolarHBondContact O-N 3.48Å; Q90-R92 PolarHBondContact O-N 3.31Å
91R83.1Confident76.1Confident220 Ų220130.6 Ų130.683%0.8365%0.645SS**PPolyproline II helixtrans-61.3129.6179.6-170.3173.3-178.2-124.84.1107.7K89 I93K89-R91 PolarHBondContact O-N 3.26Å; R91-I93 PolarHBondContact O-N 3.09Å
92R83.9Confident78.3Confident216 Ų216128.1 Ų128.182%0.81563%0.626SS**PPolyproline II helixtrans-51.5130.5177-87.2-170.5-174.9-141.15.2109.2Q90 R94Q90-R92 PolarHBondContact O-N 3.31Å; R92-R94 PolarHBondContact O-N 3.49Å
93I88.9Confident80.4Confident138 Ų138130.4 Ų130.471%0.70862%0.624SS**PPolyproline II helixtrans-59.4133.9176.7-57-58.6000108.9R91R91-I93 PolarHBondContact O-N 3.09Å
94R93.2Very high82.5Confident216 Ų216129.6 Ų129.682%0.81560%0.604SS**PPolyproline II helixtrans-81.5133.2178.7-175.3178.2178.4-178.50.1109R92R92-R94 PolarHBondContact O-N 3.49Å
95T93.5Very high84.7Confident44 Ų44124 Ų12427%0.2758%0.575SS.*PPolyproline II helixtrans-70.7129.8170.8-49.50000110F97 L129 R133T95-F97 HydrophobicContact CG2-CZ 4.46Å; T95-L129 HydrophobicContact CG2-CD2 3.98Å; T95-R133 WeakPolarHBondContact OG1-CD 3.39Å
96T95.5Very high87Confident121 Ų121119.7 Ų119.774%0.74256%0.555SS**  trans-105125.2168.751.80000108.4
97F97.2Very high89Confident62 Ų62117.7 Ų117.727%0.27254%0.541SS..  trans-87.4139.2-179.7-58.4-91.6000109.9T95 L102 L105 L129 W137T95-F97 HydrophobicContact CG2-CZ 4.46Å; F97-L102 HydrophobicContact CB-CD1 4.47Å; F97-L102 HydrophobicContact CB-CD2 3.71Å; F97-L102 HydrophobicContact CB-CG 3.85Å; F97-L102 HydrophobicContact CG-CD2 4.13Å; F97-L105 HydrophobicContact CD1-CD1 4Å; F97-L105 HydrophobicContact CE1-CD1 4.14Å; F97-L129 HydrophobicContact CD1-CD1 3.49Å; F97-L129 VanDerWaalsContact CD1-CD1 3.49Å; F97-L129 HydrophobicContact CE1-CD1 3.37Å; F97-W137 HydrophobicContact CE1-CB 4.42Å; F97-W137 AromaticContact CE1-CD1 3.96Å; F97-W137 HydrophobicContact CE1-CG 4.46Å; F97-W137 AromaticContact CE2-CD1 3.69Å; F97-W137 HydrophobicContact CZ-CB 4.03Å; F97-W137 AromaticContact CZ-CD1 3.66Å; F97-W137 HydrophobicContact CZ-CG 4.22Å
98T98.3Very high91Very high76 Ų76109.5 Ų109.547%0.46651%0.506SS..  trans-75.8162.3170.4770000110.4A100 Q101 L102T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.36Å; T98-Q101 PolarHBondContact O-N 3.3Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.37Å; T98-Q101 PolarHBondContact OG1-N 3.46Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.34Å
99S97.8Very high92.9Very high81 Ų8199.6 Ų99.657%0.56647%0.469SS*.Hα-helixtrans-59.1-41.3177.6179.70000112.2Q101 L102 K103S99-Q101 PolarHBondContact O-N 3.26Å; S99-L102 PolarHBondContact O-N 3.47Å; S99-K103 WeakPolarHBondContact O-CG 3.24Å; S99-K103 PolarHBondContact O-N 3.32Å
100A97.8Very high94.6Very high70 Ų7094 Ų9458%0.57946%0.461SS*.Hα-helixtrans-62.5-42.1177.600000112.3T98 L102 K103 E104T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.36Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.44Å; A100-K103 PolarHBondContact O-N 3.44Å; A100-E104 PolarHBondContact O-N 3.16Å
101Q98.3Very high95.7Very high29 Ų2992.6 Ų92.614%0.13645%0.454CS..Hα-helixtrans-63.5-41176.6-64.4173.3-31.500111.5T98 S99 E104 L105 I127T98-Q101 PolarHBondContact O-N 3.3Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.37Å; T98-Q101 PolarHBondContact OG1-N 3.46Å; S99-Q101 PolarHBondContact O-N 3.26Å; Q101-E104 PolarHBondContact O-N 3.42Å; Q101-L105 WeakPolarHBondContact O-CD1 3.46Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.46Å; Q101-L105 PolarHBondContact O-N 3.48Å; Q101-L105 VanDerWaalsContact O-N 3.09Å; Q101-I127 HydrophobicContact CB-CB 4.34Å; Q101-I127 HydrophobicContact CG-CB 4.05Å; Q101-I127 PolarHBondContact NE2-O 3.32Å
102L98.4Very high96.4Very high56 Ų5684.8 Ų84.829%0.29343%0.431SS..Hα-helixtrans-63.7-40.5177.3-69174.7000112.1F97 T98 S99 A100 E104 L105 E106 W137F97-L102 HydrophobicContact CB-CD1 4.47Å; F97-L102 HydrophobicContact CB-CD2 3.71Å; F97-L102 HydrophobicContact CB-CG 3.85Å; F97-L102 HydrophobicContact CG-CD2 4.13Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.34Å; S99-L102 PolarHBondContact O-N 3.47Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.44Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-E106 WeakPolarHBondContact O-CB 3.2Å; L102-E106 VanDerWaalsContact O-CG 3.31Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 3.1Å; L102-W137 HydrophobicContact CD2-CZ2 4.3Å; L102-W137 VanDerWaalsContact CD2-NE1 3.29Å
103K98.3Very high97Very high144 Ų14477.6 Ų77.663%0.62641%0.406SS*.Hα-helixtrans-57.9-46.5177.1-72.8176.2-177.6-177.60111.9S99 A100 E106 R107S99-K103 WeakPolarHBondContact O-CG 3.24Å; S99-K103 PolarHBondContact O-N 3.32Å; A100-K103 PolarHBondContact O-N 3.44Å; K103-E106 PolarHBondContact O-N 2.93Å; K103-R107 WeakPolarHBondContact O-CB 3.23Å; K103-R107 PolarHBondContact O-N 3.38Å
104E98.2Very high97.5Very high40 Ų4078.6 Ų78.619%0.18740%0.402CS..Hα-helixtrans-68.6-39.2180-170.958.9-158.200112A100 Q101 L102 E106 R107 V108 L123 K126 I127A100-E104 PolarHBondContact O-N 3.16Å; Q101-E104 PolarHBondContact O-N 3.42Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.38Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 3.03Å; E104-R107 WeakPolarHBondContact O-CB 3.29Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 IonicContact OE1-CZ 2.99Å; E104-R107 VanDerWaalsContact OE1-CZ 3.29Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-NE 2.78Å; E104-R107 PolarHBondContact OE2-NE 3.19Å; E104-R107 VanDerWaalsContact OE2-NE 3.15Å; E104-V108 PolarHBondContact O-N 3.41Å; E104-L123 HydrophobicContact CG-CD2 3.77Å; E104-K126 HydrophobicContact CG-CD 4.12Å; E104-I127 HydrophobicContact CB-CG2 3.89Å; E104-I127 HydrophobicContact CG-CG2 3.9Å
105L98.4Very high97.7Very high0 Ų068.6 Ų68.60%037%0.366CS..Hα-helixtrans-62.9-40.6174.3-72.1166.9000112.2F97 Q101 L102 F109 I127 V134 W137 F138F97-L105 HydrophobicContact CD1-CD1 4Å; F97-L105 HydrophobicContact CE1-CD1 4.14Å; Q101-L105 WeakPolarHBondContact O-CD1 3.46Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.46Å; Q101-L105 PolarHBondContact O-N 3.48Å; Q101-L105 VanDerWaalsContact O-N 3.09Å; L102-L105 PolarHBondContact O-N 2.93Å; L105-F109 WeakPolarHBondContact O-CB 3.13Å; L105-F109 PolarHBondContact O-N 2.97Å; L105-I127 HydrophobicContact CD1-CD1 3.99Å; L105-I127 HydrophobicContact CD2-CD1 3.7Å; L105-I127 HydrophobicContact CG-CD1 3.73Å; L105-V134 HydrophobicContact CD2-CG1 3.97Å; L105-V134 HydrophobicContact CD2-CG2 4.46Å; L105-W137 HydrophobicContact CB-CD2 4.12Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 3.67Å; L105-W137 HydrophobicContact CB-CZ2 3.78Å; L105-W137 HydrophobicContact CB-CZ3 3.77Å; L105-W137 HydrophobicContact CD1-CD2 3.87Å; L105-W137 HydrophobicContact CD1-CE3 4.42Å; L105-W137 HydrophobicContact CD1-CG 3.92Å; L105-W137 HydrophobicContact CD1-CZ2 4.47Å; L105-W137 HydrophobicContact CD2-CD2 4.42Å; L105-W137 HydrophobicContact CD2-CE3 4.22Å; L105-W137 HydrophobicContact CG-CD2 4.37Å; L105-W137 HydrophobicContact CG-CE3 4.45Å; L105-F138 HydrophobicContact CD2-CE2 3.87Å
106E98.3Very high97.9Very high87 Ų8771 Ų7141%0.40738%0.377SS..Hα-helixtrans-71.4-35.7177.1-73.1-179.2164.800112.2L102 K103 E104 F109 A110 W137 R141L102-E106 WeakPolarHBondContact O-CB 3.2Å; L102-E106 VanDerWaalsContact O-CG 3.31Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 3.1Å; K103-E106 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 3.03Å; E106-F109 WeakPolarHBondContact O-CB 3.31Å; E106-F109 PolarHBondContact O-N 3.34Å; E106-A110 PolarHBondContact O-N 2.9Å; E106-W137 HydrophobicContact CG-CH2 3.84Å; E106-W137 HydrophobicContact CG-CZ2 3.97Å; E106-R141 IonicContact OE1-NH1 2.76Å
107R98.3Very high98Very high111 Ų11167.9 Ų67.942%0.41936%0.355SS..Hα-helixtrans-55.9-51.9173.2-169.1-171.47268.69.2110.9K103 E104 F109 A110 E111K103-R107 WeakPolarHBondContact O-CB 3.23Å; K103-R107 PolarHBondContact O-N 3.38Å; E104-R107 WeakPolarHBondContact O-CB 3.29Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 IonicContact OE1-CZ 2.99Å; E104-R107 VanDerWaalsContact OE1-CZ 3.29Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-NE 2.78Å; E104-R107 PolarHBondContact OE2-NE 3.19Å; E104-R107 VanDerWaalsContact OE2-NE 3.15Å; R107-F109 VanDerWaalsContact C-N 3.34Å; R107-F109 PolarHBondContact O-N 3.32Å; R107-A110 WeakPolarHBondContact O-CB 3.38Å; R107-A110 PolarHBondContact O-N 3.08Å; R107-E111 IonicContact CZ-OE1 3.15Å; R107-E111 IonicContact NH1-OE1 3.68Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 PolarHBondContact O-N 3.19Å
108V98.1Very high98.1Very high4 Ų472.8 Ų72.82%0.02437%0.373CS..Hα-helixtrans-69.9-32.2177.9177.30000112.2E104 A110 E111 T112 P115 T119 L123 F138E104-V108 PolarHBondContact O-N 3.41Å; V108-A110 PolarHBondContact O-N 3.31Å; V108-E111 WeakPolarHBondContact O-CB 3.5Å; V108-E111 PolarHBondContact O-N 2.86Å; V108-E111 VanDerWaalsContact O-N 3.12Å; V108-T112 HydrophobicContact CG1-CG2 4.38Å; V108-T112 PolarHBondContact O-N 3.23Å; V108-P115 HydrophobicContact CG1-CB 4.42Å; V108-T119 HydrophobicContact CG1-CG2 4.22Å; V108-L123 HydrophobicContact CB-CD1 3.92Å; V108-L123 HydrophobicContact CG1-CD1 3.91Å; V108-L123 HydrophobicContact CG2-CD1 3.85Å; V108-L123 HydrophobicContact CG2-CD2 3.74Å; V108-L123 HydrophobicContact CG2-CG 4.18Å; V108-F138 HydrophobicContact CB-CZ 4.29Å; V108-F138 HydrophobicContact CG1-CZ 4.13Å
109F98.4Very high98.1Very high11 Ų1171.8 Ų71.85%0.04837%0.366CS..Hα-helixtrans-61.4-35.1174.3-170.8-95.7000112.3L105 E106 R107 E111 T112 H113 W137 F138 R141 R142 F145L105-F109 WeakPolarHBondContact O-CB 3.13Å; L105-F109 PolarHBondContact O-N 2.97Å; E106-F109 WeakPolarHBondContact O-CB 3.31Å; E106-F109 PolarHBondContact O-N 3.34Å; R107-F109 VanDerWaalsContact C-N 3.34Å; R107-F109 PolarHBondContact O-N 3.32Å; F109-E111 VanDerWaalsContact C-N 3.3Å; F109-T112 CarbonylContact O-C 3.45Å; F109-H113 AromaticContact CD1-CD2 3.52Å; F109-H113 AromaticContact CD1-NE2 3.81Å; F109-H113 AromaticContact CD2-CD2 3.85Å; F109-H113 AromaticContact CE1-CD2 3.13Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.39Å; F109-H113 AromaticContact CE1-NE2 3.26Å; F109-H113 VanDerWaalsContact CE1-NE2 3.26Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.26Å; F109-H113 HydrophobicContact CE2-CB 4.07Å; F109-H113 AromaticContact CE2-CD2 3.49Å; F109-H113 VanDerWaalsContact CE2-CD2 3.49Å; F109-H113 WeakPolarHBondContact CE2-CD2 3.45Å; F109-H113 AromaticContact CG-CD2 3.87Å; F109-H113 HydrophobicContact CZ-CB 4.31Å; F109-H113 AromaticContact CZ-CD2 3.11Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H113 AromaticContact CZ-CG 3.81Å; F109-H113 AromaticContact CZ-NE2 3.61Å; F109-H113 PolarHBondContact O-CD2 2.87Å; F109-W137 HydrophobicContact CB-CZ3 4.37Å; F109-W137 HydrophobicContact CD2-CZ3 4.46Å; F109-F138 HydrophobicContact CB-CE1 4.03Å; F109-F138 AromaticContact CD2-CD1 3.8Å; F109-F138 HydrophobicContact CD2-CD1 3.8Å; F109-F138 AromaticContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CG-CE1 4.42Å; F109-R141 HydrophobicContact CD1-CG 4.05Å; F109-R141 HydrophobicContact CD2-CB 4.26Å; F109-R141 HydrophobicContact CD2-CG 3.57Å; F109-R141 HydrophobicContact CE1-CG 3.9Å; F109-R141 HydrophobicContact CE2-CB 4.02Å; F109-R141 HydrophobicContact CE2-CG 3.43Å; F109-R141 VanDerWaalsContact CE2-CG 3.43Å; F109-R141 HydrophobicContact CG-CG 3.89Å; F109-R141 HydrophobicContact CZ-CG 3.6Å; F109-R142 HydrophobicContact CE2-CG 3.85Å; F109-R142 HydrophobicContact CZ-CG 4.38Å; F109-F145 HydrophobicContact CE1-CD2 4.42Å; F109-F145 HydrophobicContact CZ-CB 4.34Å
110A97.9Very high98.1Very high87 Ų8770.1 Ų70.172%0.71935%0.348SS*.Hα-helixtrans-66.9-31.1175.200000112.8E106 R107 V108E106-A110 PolarHBondContact O-N 2.9Å; R107-A110 WeakPolarHBondContact O-CB 3.38Å; R107-A110 PolarHBondContact O-N 3.08Å; V108-A110 PolarHBondContact O-N 3.31Å
111E97.6Very high98.2Very high132 Ų13271.1 Ų71.162%0.61734%0.341SS*.Hα-helixtrans-76.6-48.2174.4-65.4172.5-147.400111.7R107 V108 F109R107-E111 IonicContact CZ-OE1 3.15Å; R107-E111 IonicContact NH1-OE1 3.68Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 PolarHBondContact O-N 3.19Å; V108-E111 WeakPolarHBondContact O-CB 3.5Å; V108-E111 PolarHBondContact O-N 2.86Å; V108-E111 VanDerWaalsContact O-N 3.12Å; F109-E111 VanDerWaalsContact C-N 3.3Å
112T97.6Very high98.2Very high55 Ų5575 Ų7534%0.33736%0.359SS..  trans-149.7129.1178.6178.20000112.2V108 F109 Y114 P115V108-T112 HydrophobicContact CG1-CG2 4.38Å; V108-T112 PolarHBondContact O-N 3.23Å; F109-T112 CarbonylContact O-C 3.45Å; T112-Y114 PolarHBondContact O-N 2.86Å; T112-Y114 PolarHBondContact OG1-N 3.44Å; T112-Y114 VanDerWaalsContact OG1-N 3.16Å; T112-Y114 PolarHBondContact OG1-O 2.99Å; T112-P115 HydrophobicContact CG2-CB 4.14Å
113H97.8Very high98.1Very high65 Ų6572.4 Ų72.430%0.30135%0.345SS..SBendtrans-71.7-18.3173.1-61.9150.1000113F109 R142 F145F109-H113 AromaticContact CD1-CD2 3.52Å; F109-H113 AromaticContact CD1-NE2 3.81Å; F109-H113 AromaticContact CD2-CD2 3.85Å; F109-H113 AromaticContact CE1-CD2 3.13Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.39Å; F109-H113 AromaticContact CE1-NE2 3.26Å; F109-H113 VanDerWaalsContact CE1-NE2 3.26Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.26Å; F109-H113 HydrophobicContact CE2-CB 4.07Å; F109-H113 AromaticContact CE2-CD2 3.49Å; F109-H113 VanDerWaalsContact CE2-CD2 3.49Å; F109-H113 WeakPolarHBondContact CE2-CD2 3.45Å; F109-H113 AromaticContact CG-CD2 3.87Å; F109-H113 HydrophobicContact CZ-CB 4.31Å; F109-H113 AromaticContact CZ-CD2 3.11Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H113 AromaticContact CZ-CG 3.81Å; F109-H113 AromaticContact CZ-NE2 3.61Å; F109-H113 PolarHBondContact O-CD2 2.87Å; H113-R142 HydrophobicContact CB-CG 4.41Å; H113-R142 VanDerWaalsContact O-CD 3.29Å; H113-R142 WeakPolarHBondContact O-CD 3.46Å; H113-R142 PolarHBondContact O-NH1 3.47Å; H113-F145 AromaticContact CE1-CZ 3.98Å
114Y98.3Very high98.1Very high160 Ų16065.9 Ų65.963%0.62732%0.318SS*.SBendtrans-12872.1-176.8-64.1-89.2000110.5T112T112-Y114 PolarHBondContact O-N 2.86Å; T112-Y114 PolarHBondContact OG1-N 3.44Å; T112-Y114 VanDerWaalsContact OG1-N 3.16Å; T112-Y114 PolarHBondContact OG1-O 2.99Å
115P97.8Very high98.1Very high6 Ų670.7 Ų70.74%0.03934%0.344CS..  trans-66.1142177.628.5-36.3000111.1V108 T112 T119 R120 F138V108-P115 HydrophobicContact CG1-CB 4.42Å; T112-P115 HydrophobicContact CG2-CB 4.14Å; P115-T119 HydrophobicContact CB-CG2 4.08Å; P115-R120 HydrophobicContact CB-CG 4.05Å; P115-R120 HydrophobicContact CG-CG 3.83Å; P115-R120 PolarHBondContact O-NH1 3.22Å; P115-F138 HydrophobicContact CG-CD1 3.68Å; P115-F138 HydrophobicContact CG-CD2 4.1Å; P115-F138 HydrophobicContact CG-CE1 3.58Å; P115-F138 HydrophobicContact CG-CE2 4.01Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.77Å
116D98.3Very high98.1Very high95 Ų9575.6 Ų75.651%0.50837%0.365SS..  trans-72.4166.9177.3-17126.5000112.2Y118 T119 R120D116-Y118 VanDerWaalsContact C-N 3.31Å; D116-Y118 PolarHBondContact O-N 3.37Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.29Å; D116-T119 PolarHBondContact O-N 3.03Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 3.07Å
117I98.1Very high98.1Very high55 Ų5572 Ų7228%0.28235%0.349SS..Hα-helixtrans-52-47.4-179.9-17461.6000111.9T119 R120 E121 E131I117-T119 PolarHBondContact O-N 3.27Å; I117-R120 VanDerWaalsContact CD1-NH2 3.33Å; I117-R120 PolarHBondContact O-N 3.39Å; I117-R120 VanDerWaalsContact O-N 3.16Å; I117-E121 HydrophobicContact CD1-CG 4.39Å; I117-E121 HydrophobicContact CG1-CG 4.48Å; I117-E121 WeakPolarHBondContact O-CG 3.39Å; I117-E121 PolarHBondContact O-N 3.11Å; I117-E131 HydrophobicContact CD1-CG 3.99Å; I117-E131 WeakPolarHBondContact CD1-OE1 3.26Å
118Y98.3Very high98Very high165 Ų16573.6 Ų73.665%0.64737%0.366SS*.Hα-helixtrans-63.8-42.8-179.2-59.9-67000112.4D116 R120 E121 E122D116-Y118 VanDerWaalsContact C-N 3.31Å; D116-Y118 PolarHBondContact O-N 3.37Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.29Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.5Å; Y118-E121 PolarHBondContact O-N 2.94Å; Y118-E122 PolarHBondContact O-N 2.85Å
119T98.1Very high98Very high54 Ų5475 Ų7533%0.33137%0.373SS..Hα-helixtrans-63.7-37.9176.1-48.10000111.5V108 P115 D116 I117 L123V108-T119 HydrophobicContact CG1-CG2 4.22Å; P115-T119 HydrophobicContact CB-CG2 4.08Å; D116-T119 PolarHBondContact O-N 3.03Å; I117-T119 PolarHBondContact O-N 3.27Å; T119-L123 WeakPolarHBondContact O-CB 3.39Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.35Å; T119-L123 VanDerWaalsContact O-N 3.08Å
120R98.6Very high98Very high46 Ų4678.6 Ų78.617%0.17440%0.396CS..Hα-helixtrans-69.4-38.1176.6-66.7-168.1-51.1-88.1-0.9112.1P115 D116 I117 Y118 L123 A124 E131 V134P115-R120 HydrophobicContact CB-CG 4.05Å; P115-R120 HydrophobicContact CG-CG 3.83Å; P115-R120 PolarHBondContact O-NH1 3.22Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 3.07Å; I117-R120 VanDerWaalsContact CD1-NH2 3.33Å; I117-R120 PolarHBondContact O-N 3.39Å; I117-R120 VanDerWaalsContact O-N 3.16Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.5Å; R120-L123 PolarHBondContact O-N 2.98Å; R120-A124 VanDerWaalsContact O-CB 3.27Å; R120-A124 WeakPolarHBondContact O-CB 3.36Å; R120-A124 PolarHBondContact O-N 3.48Å; R120-E131 HydrophobicContact CB-CG 4.04Å; R120-E131 IonicContact CZ-OE1 3.29Å; R120-E131 IonicContact NE-OE1 2.98Å; R120-E131 PolarHBondContact NE-OE1 3.41Å; R120-E131 IonicContact NH2-OE1 2.62Å; R120-E131 PolarHBondContact NH2-OE1 2.95Å; R120-V134 HydrophobicContact CB-CG1 4.24Å; R120-V134 HydrophobicContact CG-CG1 4.23Å
121E98.5Very high98Very high92 Ų9276.6 Ų76.643%0.4337%0.372SS..Hα-helixtrans-64.7-45175.4-73.3177.6167.600111.6I117 Y118 L123 A124 L125 E131I117-E121 HydrophobicContact CD1-CG 4.39Å; I117-E121 HydrophobicContact CG1-CG 4.48Å; I117-E121 WeakPolarHBondContact O-CG 3.39Å; I117-E121 PolarHBondContact O-N 3.11Å; Y118-E121 PolarHBondContact O-N 2.94Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.06Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.48Å; E121-L125 WeakPolarHBondContact O-CG 3.47Å; E121-L125 PolarHBondContact O-N 3.38Å; E121-L125 VanDerWaalsContact O-N 3.09Å; E121-E131 HydrophobicContact CG-CB 4.45Å; E121-E131 HydrophobicContact CG-CG 4.06Å
122E98.2Very high98Very high110 Ų11072 Ų7251%0.51436%0.357SS..Hα-helixtrans-60.6-43.9175.6-166.1-158143.100111.6Y118 L125 K126Y118-E122 PolarHBondContact O-N 2.85Å; E122-L125 PolarHBondContact O-N 2.82Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-K126 IonicContact OE1-NZ 3.6Å; E122-K126 PolarHBondContact OE1-NZ 3.4Å
123L98.1Very high98Very high2 Ų273 Ų731%0.0135%0.354CS..Hα-helixtrans-62.3-43.5175.3-81.3173.5000112.4E104 V108 T119 R120 E121 L125 K126 I127 V134 F138E104-L123 HydrophobicContact CG-CD2 3.77Å; V108-L123 HydrophobicContact CB-CD1 3.92Å; V108-L123 HydrophobicContact CG1-CD1 3.91Å; V108-L123 HydrophobicContact CG2-CD1 3.85Å; V108-L123 HydrophobicContact CG2-CD2 3.74Å; V108-L123 HydrophobicContact CG2-CG 4.18Å; T119-L123 WeakPolarHBondContact O-CB 3.39Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.35Å; T119-L123 VanDerWaalsContact O-N 3.08Å; R120-L123 PolarHBondContact O-N 2.98Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.06Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.43Å; L123-K126 PolarHBondContact O-N 2.85Å; L123-K126 VanDerWaalsContact O-N 3.1Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.49Å; L123-I127 PolarHBondContact O-N 2.98Å; L123-V134 HydrophobicContact CD1-CG1 4.49Å; L123-F138 HydrophobicContact CD1-CE2 4.2Å; L123-F138 HydrophobicContact CD1-CZ 4.38Å
124A98.3Very high98Very high6 Ų670 Ų705%0.0534%0.34CS..Hα-helixtrans-57.2-43.6179.800000111.2R120 E121 D128 L129 E131 V134R120-A124 VanDerWaalsContact O-CB 3.27Å; R120-A124 WeakPolarHBondContact O-CB 3.36Å; R120-A124 PolarHBondContact O-N 3.48Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.48Å; A124-D128 PolarHBondContact O-N 3.04Å; A124-D128 VanDerWaalsContact O-N 3.16Å; A124-L129 CarbonylContact C-O 3.43Å; A124-L129 WeakPolarHBondContact CB-O 3.42Å; A124-L129 PolarHBondContact O-N 3.08Å; A124-E131 HydrophobicContact CB-CB 4.41Å; A124-V134 HydrophobicContact CB-CG2 4.07Å
125L98.2Very high98Very high142 Ų14266.3 Ų66.374%0.74333%0.329SS*.Hα-helixtrans-65.1-43.3173.6-64.7172.9000112.1E121 E122 L123 I127E121-L125 WeakPolarHBondContact O-CG 3.47Å; E121-L125 PolarHBondContact O-N 3.38Å; E121-L125 VanDerWaalsContact O-N 3.09Å; E122-L125 PolarHBondContact O-N 2.82Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.43Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.83Å
126K97.4Very high98Very high102 Ų10269.1 Ų69.144%0.44335%0.345SS..Hα-helixtrans-65.3-32-177.2-169.4172.1-69.3152.50113.9E104 E122 L123E104-K126 HydrophobicContact CG-CD 4.12Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-K126 IonicContact OE1-NZ 3.6Å; E122-K126 PolarHBondContact OE1-NZ 3.4Å; L123-K126 PolarHBondContact O-N 2.85Å; L123-K126 VanDerWaalsContact O-N 3.1Å
127I97.5Very high98Very high11 Ų1165.9 Ų65.96%0.05633%0.326CS..THydrogen-bonded Turntrans-110.99.9-174.876.4-171.9000113.4Q101 E104 L105 L123 L125 L129 V134Q101-I127 HydrophobicContact CB-CB 4.34Å; Q101-I127 HydrophobicContact CG-CB 4.05Å; Q101-I127 PolarHBondContact NE2-O 3.32Å; E104-I127 HydrophobicContact CB-CG2 3.89Å; E104-I127 HydrophobicContact CG-CG2 3.9Å; L105-I127 HydrophobicContact CD1-CD1 3.99Å; L105-I127 HydrophobicContact CD2-CD1 3.7Å; L105-I127 HydrophobicContact CG-CD1 3.73Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.49Å; L123-I127 PolarHBondContact O-N 2.98Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.83Å; I127-L129 HydrophobicContact CD1-CD1 3.84Å; I127-L129 HydrophobicContact CD1-CG 4.44Å; I127-L129 HydrophobicContact CG1-CB 4.08Å; I127-L129 HydrophobicContact CG1-CD1 3.9Å; I127-L129 HydrophobicContact CG1-CG 3.96Å; I127-L129 PolarHBondContact O-N 3.07Å; I127-V134 HydrophobicContact CD1-CG2 4.18Å
128D97.9Very high98.1Very high146 Ų14663.3 Ų63.378%0.78131%0.313SS*.THydrogen-bonded Turntrans54.547.9-179.2-63-47.8000114.3A124A124-D128 PolarHBondContact O-N 3.04Å; A124-D128 VanDerWaalsContact O-N 3.16Å
129L96.9Very high98.1Very high33 Ų3359.8 Ų59.817%0.17330%0.302CS..  trans-127.2168.2176.1-65.7179.9000111T95 F97 A124 I127 R133T95-L129 HydrophobicContact CG2-CD2 3.98Å; F97-L129 HydrophobicContact CD1-CD1 3.49Å; F97-L129 VanDerWaalsContact CD1-CD1 3.49Å; F97-L129 HydrophobicContact CE1-CD1 3.37Å; A124-L129 CarbonylContact C-O 3.43Å; A124-L129 WeakPolarHBondContact CB-O 3.42Å; A124-L129 PolarHBondContact O-N 3.08Å; I127-L129 HydrophobicContact CD1-CD1 3.84Å; I127-L129 HydrophobicContact CD1-CG 4.44Å; I127-L129 HydrophobicContact CG1-CB 4.08Å; I127-L129 HydrophobicContact CG1-CD1 3.9Å; I127-L129 HydrophobicContact CG1-CG 3.96Å; I127-L129 PolarHBondContact O-N 3.07Å; L129-R133 HydrophobicContact CB-CB 4.36Å
130T98Very high98.1Very high86 Ų8661.9 Ų61.953%0.52831%0.312SS..  trans-83.3148.3170.6740000110.7A132 R133 V134T130-A132 PolarHBondContact O-N 3.02Å; T130-A132 VanDerWaalsContact O-N 3.15Å; T130-R133 WeakPolarHBondContact O-CA 3.11Å; T130-R133 WeakPolarHBondContact O-CB 3.49Å; T130-R133 PolarHBondContact O-N 3.22Å; T130-R133 WeakPolarHBondContact OG1-CG 3.42Å; T130-V134 PolarHBondContact O-N 3.41Å
131E98.3Very high98.1Very high45 Ų4563.6 Ų63.621%0.2132%0.318CS..Hα-helixtrans-49.8-42.2176.2-176.5-79.3158.400111.2I117 R120 E121 A124 R133 V134 Q135I117-E131 HydrophobicContact CD1-CG 3.99Å; I117-E131 WeakPolarHBondContact CD1-OE1 3.26Å; R120-E131 HydrophobicContact CB-CG 4.04Å; R120-E131 IonicContact CZ-OE1 3.29Å; R120-E131 IonicContact NE-OE1 2.98Å; R120-E131 PolarHBondContact NE-OE1 3.41Å; R120-E131 IonicContact NH2-OE1 2.62Å; R120-E131 PolarHBondContact NH2-OE1 2.95Å; E121-E131 HydrophobicContact CG-CB 4.45Å; E121-E131 HydrophobicContact CG-CG 4.06Å; A124-E131 HydrophobicContact CB-CB 4.41Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.95Å; E131-V134 CarbonylContact O-C 3.58Å; E131-V134 WeakPolarHBondContact O-CA 3.49Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; E131-Q135 PolarHBondContact O-N 3.13Å
132A97.8Very high98.1Very high37 Ų3761.5 Ų61.531%0.30631%0.306SS..Hα-helixtrans-59.9-33.2177.100000113.3T130 V136T130-A132 PolarHBondContact O-N 3.02Å; T130-A132 VanDerWaalsContact O-N 3.15Å; A132-V136 VanDerWaalsContact O-CG2 3.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.13Å; A132-V136 PolarHBondContact O-N 3.12Å; A132-V136 VanDerWaalsContact O-N 3.12Å
133R97.9Very high98Very high76 Ų7658.4 Ų58.429%0.28730%0.299SS..Hα-helixtrans-69.1-42.3173.9-62.5-57.688.71624.1110.9T95 L129 T130 E131 V136 W137T95-R133 WeakPolarHBondContact OG1-CD 3.39Å; L129-R133 HydrophobicContact CB-CB 4.36Å; T130-R133 WeakPolarHBondContact O-CA 3.11Å; T130-R133 WeakPolarHBondContact O-CB 3.49Å; T130-R133 PolarHBondContact O-N 3.22Å; T130-R133 WeakPolarHBondContact OG1-CG 3.42Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.95Å; R133-V136 PolarHBondContact O-N 3.22Å; R133-W137 WeakPolarHBondContact O-CB 3.46Å; R133-W137 PolarHBondContact O-N 3.18Å
134V98.3Very high98Very high0 Ų065.4 Ų65.40%033%0.33CS..Hα-helixtrans-61-48.2175.7179.80000109.9L105 R120 L123 A124 I127 T130 E131 V136 W137 F138L105-V134 HydrophobicContact CD2-CG1 3.97Å; L105-V134 HydrophobicContact CD2-CG2 4.46Å; R120-V134 HydrophobicContact CB-CG1 4.24Å; R120-V134 HydrophobicContact CG-CG1 4.23Å; L123-V134 HydrophobicContact CD1-CG1 4.49Å; A124-V134 HydrophobicContact CB-CG2 4.07Å; I127-V134 HydrophobicContact CD1-CG2 4.18Å; T130-V134 PolarHBondContact O-N 3.41Å; E131-V134 CarbonylContact O-C 3.58Å; E131-V134 WeakPolarHBondContact O-CA 3.49Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; V134-V136 VanDerWaalsContact C-N 3.35Å; V134-V136 PolarHBondContact O-N 3.03Å; V134-W137 WeakPolarHBondContact O-CB 3.34Å; V134-W137 PolarHBondContact O-N 2.83Å; V134-W137 VanDerWaalsContact O-N 3.1Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.75Å; V134-F138 WeakPolarHBondContact O-CD2 3.26Å; V134-F138 PolarHBondContact O-N 2.96Å
135Q98.3Very high97.9Very high83 Ų8368.2 Ų68.239%0.38834%0.341SS..Hα-helixtrans-55.7-46.5176.9-168.5-161.4-13.200112.3E131 F138 Q139E131-Q135 PolarHBondContact O-N 3.13Å; Q135-F138 PolarHBondContact O-N 3.22Å; Q135-Q139 WeakPolarHBondContact O-CG 3.44Å; Q135-Q139 PolarHBondContact O-N 3.43Å; Q135-Q139 VanDerWaalsContact O-N 3.08Å; Q135-Q139 PolarHBondContact O-NE2 3.14Å
136V98.2Very high97.8Very high65 Ų6567.8 Ų67.839%0.39433%0.33SS..Hα-helixtrans-66.6-38.3177.7171.10000111.3A132 R133 V134 Q139 N140A132-V136 VanDerWaalsContact O-CG2 3.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.13Å; A132-V136 PolarHBondContact O-N 3.12Å; A132-V136 VanDerWaalsContact O-N 3.12Å; R133-V136 PolarHBondContact O-N 3.22Å; V134-V136 VanDerWaalsContact C-N 3.35Å; V134-V136 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-ND2 2.97Å
137W98.3Very high97.7Very high27 Ų2770.6 Ų70.610%0.10234%0.342CS..Hα-helixtrans-61.2-48.8175.9-172.8100.7000111.4F97 L102 L105 E106 F109 R133 V134 Q139 N140 R141F97-W137 HydrophobicContact CE1-CB 4.42Å; F97-W137 AromaticContact CE1-CD1 3.96Å; F97-W137 HydrophobicContact CE1-CG 4.46Å; F97-W137 AromaticContact CE2-CD1 3.69Å; F97-W137 HydrophobicContact CZ-CB 4.03Å; F97-W137 AromaticContact CZ-CD1 3.66Å; F97-W137 HydrophobicContact CZ-CG 4.22Å; L102-W137 HydrophobicContact CD2-CZ2 4.3Å; L102-W137 VanDerWaalsContact CD2-NE1 3.29Å; L105-W137 HydrophobicContact CB-CD2 4.12Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 3.67Å; L105-W137 HydrophobicContact CB-CZ2 3.78Å; L105-W137 HydrophobicContact CB-CZ3 3.77Å; L105-W137 HydrophobicContact CD1-CD2 3.87Å; L105-W137 HydrophobicContact CD1-CE3 4.42Å; L105-W137 HydrophobicContact CD1-CG 3.92Å; L105-W137 HydrophobicContact CD1-CZ2 4.47Å; L105-W137 HydrophobicContact CD2-CD2 4.42Å; L105-W137 HydrophobicContact CD2-CE3 4.22Å; L105-W137 HydrophobicContact CG-CD2 4.37Å; L105-W137 HydrophobicContact CG-CE3 4.45Å; E106-W137 HydrophobicContact CG-CH2 3.84Å; E106-W137 HydrophobicContact CG-CZ2 3.97Å; F109-W137 HydrophobicContact CB-CZ3 4.37Å; F109-W137 HydrophobicContact CD2-CZ3 4.46Å; R133-W137 WeakPolarHBondContact O-CB 3.46Å; R133-W137 PolarHBondContact O-N 3.18Å; V134-W137 WeakPolarHBondContact O-CB 3.34Å; V134-W137 PolarHBondContact O-N 2.83Å; V134-W137 VanDerWaalsContact O-N 3.1Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 2.95Å; W137-N140 PolarHBondContact O-N 3.38Å; W137-N140 VanDerWaalsContact O-N 3.16Å; W137-R141 HydrophobicContact CE3-CB 4.07Å; W137-R141 HydrophobicContact CH2-CB 4.12Å; W137-R141 HydrophobicContact CH2-CG 3.82Å; W137-R141 HydrophobicContact CZ2-CG 4.49Å; W137-R141 HydrophobicContact CZ3-CB 3.84Å; W137-R141 HydrophobicContact CZ3-CG 3.88Å; W137-R141 WeakPolarHBondContact O-CB 3.46Å; W137-R141 PolarHBondContact O-N 3.41Å
138F98.7Very high97.5Very high2 Ų276.5 Ų76.51%0.00937%0.369CS..Hα-helixtrans-62.7-38.4178.6-89-89.9000112.5L105 V108 F109 P115 L123 V134 Q135 R141 R142L105-F138 HydrophobicContact CD2-CE2 3.87Å; V108-F138 HydrophobicContact CB-CZ 4.29Å; V108-F138 HydrophobicContact CG1-CZ 4.13Å; F109-F138 HydrophobicContact CB-CE1 4.03Å; F109-F138 AromaticContact CD2-CD1 3.8Å; F109-F138 HydrophobicContact CD2-CD1 3.8Å; F109-F138 AromaticContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CG-CE1 4.42Å; P115-F138 HydrophobicContact CG-CD1 3.68Å; P115-F138 HydrophobicContact CG-CD2 4.1Å; P115-F138 HydrophobicContact CG-CE1 3.58Å; P115-F138 HydrophobicContact CG-CE2 4.01Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.77Å; L123-F138 HydrophobicContact CD1-CE2 4.2Å; L123-F138 HydrophobicContact CD1-CZ 4.38Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.75Å; V134-F138 WeakPolarHBondContact O-CD2 3.26Å; V134-F138 PolarHBondContact O-N 2.96Å; Q135-F138 PolarHBondContact O-N 3.22Å; F138-R141 PolarHBondContact O-N 2.98Å; F138-R142 WeakPolarHBondContact O-CB 3.44Å; F138-R142 WeakPolarHBondContact O-CG 3.33Å; F138-R142 PolarHBondContact O-N 2.95Å
139Q98.5Very high97Very high90 Ų9074.3 Ų74.342%0.42135%0.354SS..Hα-helixtrans-59.9-47.6172.9-76.7175.173.300112Q135 V136 W137 R142 A143Q135-Q139 WeakPolarHBondContact O-CG 3.44Å; Q135-Q139 PolarHBondContact O-N 3.43Å; Q135-Q139 VanDerWaalsContact O-N 3.08Å; Q135-Q139 PolarHBondContact O-NE2 3.14Å; V136-Q139 PolarHBondContact O-N 3.32Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 2.95Å; Q139-R142 PolarHBondContact O-N 3.25Å; Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.46Å
140N98.1Very high96.5Very high98 Ų9881.3 Ų81.352%0.52438%0.378SS..Hα-helixtrans-65.5-39.1178.3-72.6-31.8000112V136 W137 A143 K144V136-N140 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-ND2 2.97Å; W137-N140 PolarHBondContact O-N 3.38Å; W137-N140 VanDerWaalsContact O-N 3.16Å; N140-A143 PolarHBondContact O-N 3.12Å; N140-K144 PolarHBondContact O-N 3.43Å
141R98.2Very high95.7Very high82 Ų8280 Ų8031%0.30938%0.376SS..Hα-helixtrans-63.5-47.8177.5-175.267.8-166.9176.46.5111.1E106 F109 W137 F138 A143 K144 F145E106-R141 IonicContact OE1-NH1 2.76Å; F109-R141 HydrophobicContact CD1-CG 4.05Å; F109-R141 HydrophobicContact CD2-CB 4.26Å; F109-R141 HydrophobicContact CD2-CG 3.57Å; F109-R141 HydrophobicContact CE1-CG 3.9Å; F109-R141 HydrophobicContact CE2-CB 4.02Å; F109-R141 HydrophobicContact CE2-CG 3.43Å; F109-R141 VanDerWaalsContact CE2-CG 3.43Å; F109-R141 HydrophobicContact CG-CG 3.89Å; F109-R141 HydrophobicContact CZ-CG 3.6Å; W137-R141 HydrophobicContact CE3-CB 4.07Å; W137-R141 HydrophobicContact CH2-CB 4.12Å; W137-R141 HydrophobicContact CH2-CG 3.82Å; W137-R141 HydrophobicContact CZ2-CG 4.49Å; W137-R141 HydrophobicContact CZ3-CB 3.84Å; W137-R141 HydrophobicContact CZ3-CG 3.88Å; W137-R141 WeakPolarHBondContact O-CB 3.46Å; W137-R141 PolarHBondContact O-N 3.41Å; F138-R141 PolarHBondContact O-N 2.98Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.29Å; R141-K144 PolarHBondContact O-N 3.47Å; R141-F145 PolarHBondContact O-N 3.31Å
142R98.1Very high94.8Very high48 Ų4881 Ų8118%0.18139%0.392CS..Hα-helixtrans-62.2-36.4174.4-71.9-166.2-62.9-93.64.2113.1F109 H113 F138 Q139 F145 R146F109-R142 HydrophobicContact CE2-CG 3.85Å; F109-R142 HydrophobicContact CZ-CG 4.38Å; H113-R142 HydrophobicContact CB-CG 4.41Å; H113-R142 VanDerWaalsContact O-CD 3.29Å; H113-R142 WeakPolarHBondContact O-CD 3.46Å; H113-R142 PolarHBondContact O-NH1 3.47Å; F138-R142 WeakPolarHBondContact O-CB 3.44Å; F138-R142 WeakPolarHBondContact O-CG 3.33Å; F138-R142 PolarHBondContact O-N 2.95Å; Q139-R142 PolarHBondContact O-N 3.25Å; R142-F145 PolarHBondContact O-N 3.03Å; R142-R146 WeakPolarHBondContact O-CG 3.4Å; R142-R146 PolarHBondContact O-N 3.38Å
143A97.9Very high93.6Very high45 Ų4583.4 Ų83.437%0.37241%0.407SS..Hα-helixtrans-62.8-43.3175.700000111.7Q139 N140 R141 K147Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.46Å; N140-A143 PolarHBondContact O-N 3.12Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.29Å; A143-K147 PolarHBondContact O-N 3.23Å; A143-K147 VanDerWaalsContact O-N 3.13Å
144K97Very high92.1Very high149 Ų14982.4 Ų82.465%0.64842%0.415SS*.Hα-helixtrans-63.8-44.7174.2-73.2-177.2177.9-175.70112N140 R141 K147 Q148N140-K144 PolarHBondContact O-N 3.43Å; R141-K144 PolarHBondContact O-N 3.47Å; K144-K147 WeakPolarHBondContact O-CB 3.3Å; K144-K147 PolarHBondContact O-N 3.48Å; K144-K147 VanDerWaalsContact O-N 3.12Å; K144-Q148 PolarHBondContact O-N 3.36Å
145F96.3Very high90.3Very high65 Ų6591.1 Ų91.129%0.28545%0.453SS..Hα-helixtrans-56.1-53.3178.4-176.1-95.3000111.6F109 H113 R141 R142 K147 Q148 E149F109-F145 HydrophobicContact CE1-CD2 4.42Å; F109-F145 HydrophobicContact CZ-CB 4.34Å; H113-F145 AromaticContact CE1-CZ 3.98Å; R141-F145 PolarHBondContact O-N 3.31Å; R142-F145 PolarHBondContact O-N 3.03Å; F145-K147 VanDerWaalsContact C-N 3.25Å; F145-K147 PolarHBondContact O-N 3.1Å; F145-Q148 WeakPolarHBondContact O-CB 3.19Å; F145-Q148 PolarHBondContact O-N 2.98Å; F145-E149 HydrophobicContact CD1-CG 4.4Å; F145-E149 HydrophobicContact CE1-CG 4.05Å; F145-E149 VanDerWaalsContact CE1-OE1 3.26Å; F145-E149 WeakPolarHBondContact CE1-OE1 3.36Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.47Å; F145-E149 HydrophobicContact CZ-CG 4.3Å; F145-E149 PolarHBondContact O-N 3.31Å
146R96.4Very high88.2Confident134 Ų13490.7 Ų90.751%0.50647%0.47SS..Hα-helixtrans-60.3-32.9176.5-69.7-172.1-65.4164.4-1.6113.2R142 R150R142-R146 WeakPolarHBondContact O-CG 3.4Å; R142-R146 PolarHBondContact O-N 3.38Å; R146-R150 WeakPolarHBondContact O-CG 3.19Å; R146-R150 PolarHBondContact O-N 3.42Å
147K95.3Very high86Confident160 Ų16091.7 Ų91.770%0.69649%0.486SS*.Hα-helixtrans-68.6-38.9175.7-173.7177.1179.7-179.40111.3A143 K144 F145 A151A143-K147 PolarHBondContact O-N 3.23Å; A143-K147 VanDerWaalsContact O-N 3.13Å; K144-K147 WeakPolarHBondContact O-CB 3.3Å; K144-K147 PolarHBondContact O-N 3.48Å; K144-K147 VanDerWaalsContact O-N 3.12Å; F145-K147 VanDerWaalsContact C-N 3.25Å; F145-K147 PolarHBondContact O-N 3.1Å; K147-A151 PolarHBondContact O-N 3.37Å; K147-A151 VanDerWaalsContact O-N 3.14Å
148Q92.4Very high83.6Confident136 Ų13693.6 Ų93.664%0.63651%0.507SS*.Hα-helixtrans-68.1-42.7179.8-164.7170.327.800111.7K144 F145 R150 A151 A152K144-Q148 PolarHBondContact O-N 3.36Å; F145-Q148 WeakPolarHBondContact O-CB 3.19Å; F145-Q148 PolarHBondContact O-N 2.98Å; Q148-R150 PolarHBondContact O-N 3.05Å; Q148-A151 PolarHBondContact O-N 3Å; Q148-A152 PolarHBondContact O-N 3.34Å
149E88.5Confident80.9Confident99 Ų9997.4 Ų97.446%0.46355%0.547SS..Hα-helixtrans-61.1-41.5176-68.3-178.3125.100112.7F145 A152 S153F145-E149 HydrophobicContact CD1-CG 4.4Å; F145-E149 HydrophobicContact CE1-CG 4.05Å; F145-E149 VanDerWaalsContact CE1-OE1 3.26Å; F145-E149 WeakPolarHBondContact CE1-OE1 3.36Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.47Å; F145-E149 HydrophobicContact CZ-CG 4.3Å; F145-E149 PolarHBondContact O-N 3.31Å; E149-A152 PolarHBondContact O-N 3.37Å; E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 3.34Å; E149-S153 PolarHBondContact O-OG 2.68Å
150R85.1Confident78.5Confident181 Ų18197.2 Ų97.268%0.68356%0.561SS**Hα-helixtrans-65.6-37.8176.2-71178.5-169.7-1660.6112.4R146 Q148 A154R146-R150 WeakPolarHBondContact O-CG 3.19Å; R146-R150 PolarHBondContact O-N 3.42Å; Q148-R150 PolarHBondContact O-N 3.05Å; R150-A154 VanDerWaalsContact O-CB 3.3Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.12Å
151A82.6Confident75.7Confident57 Ų5797.9 Ų97.947%0.47157%0.573SS.*Hα-helixtrans-70.2-36.1177.300000112.2K147 Q148 K155K147-A151 PolarHBondContact O-N 3.37Å; K147-A151 VanDerWaalsContact O-N 3.14Å; Q148-A151 PolarHBondContact O-N 3Å; A151-K155 PolarHBondContact O-N 3.26Å
152A79.4Confident72.8Confident68 Ų6897.8 Ų97.856%0.56260%0.597SS**Hα-helixtrans-66.6-43.2173.700000111.5Q148 E149 A154 K155Q148-A152 PolarHBondContact O-N 3.34Å; E149-A152 PolarHBondContact O-N 3.37Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.29Å; A152-K155 PolarHBondContact O-N 3.04Å
153S72.8Confident70.6Confident87 Ų87100.2 Ų100.261%0.60863%0.628SS**Hα-helixtrans-68.3-32.9178-53.30000112.7E149 G156E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 3.34Å; E149-S153 PolarHBondContact O-OG 2.68Å; S153-G156 PolarHBondContact O-N 2.79Å
154A66.4Low68Low55 Ų55107.9 Ų107.946%0.45565%0.653SS.*Hα-helixtrans-71.1-28.9175.600000113R150 A152 G156 A157 A158R150-A154 VanDerWaalsContact O-CB 3.3Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.12Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.29Å; A154-G156 VanDerWaalsContact C-N 3.29Å; A154-G156 PolarHBondContact O-N 3.28Å; A154-A157 PolarHBondContact O-N 3.48Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 2.95Å
155K59.4Low65.6Low183 Ų183111.2 Ų111.280%0.79667%0.667SS**Hα-helixtrans-71.5-21.2173.9-79.2-171.1174.6-172.20113.5A151 A152A151-K155 PolarHBondContact O-N 3.26Å; A152-K155 PolarHBondContact O-N 3.04Å
156G54.7Low62.7Low73 Ų73111.5 Ų111.575%0.75369%0.688SS**Hα-helixtrans-78-23.917100000114.1S153 A154S153-G156 PolarHBondContact O-N 2.79Å; A154-G156 VanDerWaalsContact C-N 3.29Å; A154-G156 PolarHBondContact O-N 3.28Å
157A51.8Low60.4Low87 Ų87112.5 Ų112.572%0.71970%0.699SS**Hα-helixtrans-101.7-15-179.100000114.2A154A154-A157 PolarHBondContact O-N 3.48Å
158A47.2Very low57.9Low66 Ų66109.3 Ų109.355%0.54570%0.702SS.*  trans-97.628.4-175.100000114.5A154 A160A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 2.95Å; A158-A160 PolarHBondContact O-N 3.06Å
159G41.9Very low55.6Low82 Ų82113.1 Ų113.185%0.84571%0.711SS**THydrogen-bonded Turntrans-69.3-5.7169.800000114.5
160A48.4Very low53.1Low87 Ų87114.2 Ų114.272%0.71973%0.728SS**THydrogen-bonded Turntrans-137.261.2-179.300000112A158A158-A160 PolarHBondContact O-N 3.06Å
161S39.9Very low50.8Low112 Ų112110.5 Ų110.578%0.78373%0.73SS**SBendtrans168.6126142.841.40000112.7
162G37.2Very low48.9Very low79 Ų79112 Ų11281%0.81474%0.737SS**  trans89.783.3142.500000117.2
163A50.9Low47Very low100 Ų100117.8 Ų117.883%0.82675%0.752SS**  trans-53131.8155.300000111.6
164K44.4Very low45.8Very low205 Ų205120.7 Ų120.789%0.89176%0.761SS**  -167.6116.3129.8-77-144.9-178.7171.20112.5
165K45.5Very low45.2Very low219 Ų219125.1 Ų125.195%0.95278%0.777SS**  trans57.3115.5138.1-148.4176.3-174-178.80120.8
166G36.5Very low44.6Very low71 Ų71122.6 Ų122.673%0.73277%0.772SS**  trans-177.693.4157.300000110A168G166-A168 PolarHBondContact O-N 3.12Å; G166-A168 VanDerWaalsContact O-N 3.12Å
167E46.9Very low44.1Very low155 Ų155123.4 Ų123.472%0.72477%0.766SS**  trans-49.5109.3178.9-172.1-169.4110.400111.6R169E167-R169 HydrophobicContact CG-CG 4.36Å; E167-R169 IonicContact OE1-CZ 3.29Å; E167-R169 VanDerWaalsContact OE1-CZ 3.29Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 3.39Å; E167-R169 IonicContact OE1-NH2 2.95Å; E167-R169 PolarHBondContact OE1-NH2 3.5Å
168A43.3Very low43.9Very low93 Ų93129 Ų12977%0.76978%0.775SS**  trans-115.697.5161.700000106.6G166 C170G166-A168 PolarHBondContact O-N 3.12Å; G166-A168 VanDerWaalsContact O-N 3.12Å; A168-C170 PolarHBondContact O-N 3.47Å
169R45.6Very low44Very low217 Ų217134.7 Ų134.782%0.81979%0.79SS**  trans-62.998.9165.2-1.6-180167.1153.9-1.5106E167E167-R169 HydrophobicContact CG-CG 4.36Å; E167-R169 IonicContact OE1-CZ 3.29Å; E167-R169 VanDerWaalsContact OE1-CZ 3.29Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 3.39Å; E167-R169 IonicContact OE1-NH2 2.95Å; E167-R169 PolarHBondContact OE1-NH2 3.5Å
170C34.7Very low44.1Very low122 Ų122136 Ų13682%0.82479%0.786SS**PPolyproline II helixtrans-81.3119.2166.6-167.80000106.4A168A168-C170 PolarHBondContact O-N 3.47Å
171S37.7Very low43.7Very low102 Ų102137.9 Ų137.971%0.71379%0.789SS**PPolyproline II helixtrans-54.6133.9172.3-165.20000109.3E173S171-E173 PolarHBondContact O-N 3.01Å
172S41.8Very low43.6Very low90 Ų90137.6 Ų137.663%0.62979%0.785SS**PPolyproline II helixtrans-60.6124.1165.8-148.30000107.9D174S172-D174 PolarHBondContact OG-OD2 3.36Å
173E39.1Very low43.7Very low189 Ų189139.6 Ų139.688%0.88379%0.787SS**  trans-114.990.8159.8-67.1-177.6116.500104.9S171S171-E173 PolarHBondContact O-N 3.01Å
174D48.8Very low44.2Very low147 Ų147140.3 Ų140.379%0.78678%0.783SS**  trans-77.3112.2163.3-64.4-89.7000106.7S172S172-D174 PolarHBondContact OG-OD2 3.36Å
175D52.6Low44Very low149 Ų149137 Ų13780%0.79778%0.781SS**  trans-100.7141.6173.3-171.1-126000110.1
176D47Very low44.8Very low129 Ų129132.4 Ų132.469%0.6977%0.773SS**  trans110.9123.5146.3-150.8-109.1000121
177S44.3Very low44.8Very low90 Ų90136 Ų13663%0.62978%0.775SS**  trans77.7105.4154.3-74.20000121.4
178K48.8Very low44.5Very low205 Ų205132.8 Ų132.889%0.89177%0.77SS**  -164.6114.898.6-83.6-134.4179.3166.10112.9
179E49Very low44.5Very low185 Ų185134.6 Ų134.686%0.86477%0.772SS**  trans-56.6134.5154.6151.9-179.471.700111.2
180S43Very low44.2Very low109 Ų109128 Ų12876%0.76276%0.764SS**  trans-177.4105142.7-79.70000112.1
181T40.1Very low44.6Very low127 Ų127127.9 Ų127.978%0.77976%0.764SS**  69.9125.2127.3-119.60000122.6
182C37.9Very low45.2Very low106 Ų106130.8 Ų130.872%0.71677%0.771SS**  trans72.2100.9146.3-64.50000122
183S39.9Very low45.9Very low121 Ų121132.2 Ų132.285%0.84678%0.778SS**  61.1155.7116.5-70.40000122.3
184P62.2Low47.3Very low116 Ų116128.6 Ų128.675%0.75377%0.771SS**  trans-105161.7-140.839.6-33.6000114.4
185T40Very low47.7Very low136 Ų136127.2 Ų127.283%0.83477%0.77SS**  trans-140.6134.7155.450.90000110.6
186P62.7Low47.8Very low121 Ų121126.5 Ų126.579%0.78677%0.773SS**  trans-90.9171.117437.1-32.2000111.8
187D35.3Very low48.2Very low147 Ų147124.9 Ų124.979%0.78678%0.778SS**  trans84.4113.7163.6-134.5-95.4000115.9
188S41.6Very low48.6Very low87 Ų87126.7 Ų126.761%0.60879%0.788SS**  172.7130.186.1-1340000111.3
189T43.1Very low48.2Very low131 Ų131121 Ų12180%0.80479%0.786SS**  trans54.4143.3133.5-151.20000122.7
190A39.4Very low48Very low79 Ų79120.9 Ų120.965%0.65379%0.791SS**  trans95.6102.1151.300000119.3
191S41.9Very low47.8Very low119 Ų119120.4 Ų120.483%0.83279%0.794SS**  92.9102.2126.3-57.50000119.1
192L50.6Low47.9Very low164 Ų164120 Ų12086%0.85980%0.796SS**  trans-67.1160.2153.8-63.6170.7000111.1
193P57.1Low48.9Very low120 Ų120120.6 Ų120.678%0.77980%0.798SS**  -128.1157.2110.235.3-29.1000114.6
194P67.6Low48.8Very low113 Ų113126.7 Ų126.773%0.73480%0.803SS**PPolyproline II helixtrans-91.2167.5-165.636.6-36.6000115.3
195P58.8Low47.6Very low117 Ų117129 Ų12976%0.7681%0.808SS**PPolyproline II helixtrans-83.9154.7174.934.7-34.6000112.9
196P54.1Low47.9Very low134 Ų134128 Ų12887%0.8781%0.807SS**PPolyproline II helixtrans-82.5134.9176.932.1-31.9000112.3
197A55.8Low47.5Very low95 Ų95127.8 Ų127.879%0.78581%0.805SS**  trans-110.1160.9169.200000110.6
198P51.2Low47.6Very low129 Ų129126.2 Ų126.284%0.83881%0.806SS**PPolyproline II helixtrans-86139.6-164.134-31.4000112.7
199G41.3Very low48.2Very low84 Ų84127 Ų12787%0.86681%0.809SS**PPolyproline II helixtrans-93.5126.217900000113
200L44.5Very low48.3Very low184 Ų184128.4 Ų128.496%0.96381%0.811SS**PPolyproline II helixtrans-91.4127.1167.7-144.581.6000108.3
201A39.8Very low49.4Very low99 Ų99129.9 Ų129.982%0.81881%0.814SS**  trans-151.8122.216400000111.6
202S42.2Very low49.2Very low118 Ų118131 Ų13183%0.82582%0.815SS**  trans-125.3165.6156-75.90000105.4
203P58.9Low48.5Very low118 Ų118127 Ų12777%0.76681%0.806SS**  cis-144.4178.328.238.4-17.1000115.4
204R36.4Very low47.4Very low249 Ų249129.9 Ų129.994%0.9481%0.813SS**  trans-165.4154152.7-112168.8153.2-85.8-7113.6
205L38.2Very low45.7Very low165 Ų165127.6 Ų127.686%0.86481%0.811SS**  trans-105.6150.3-153.3-63.6156.6000115.4
206S45.5Very low44.7Very low116 Ų116128 Ų12881%0.81182%0.816SS**  trans69.7166.3143.5-121.30000121.9
207P55Low43.6Very low115 Ų115125.1 Ų125.175%0.74781%0.811SS**  cis-132.6170.9-40.926.1-3.6000116.1
208S36.2Very low43.5Very low115 Ų115127.1 Ų127.180%0.80482%0.816SS**  trans-1.1176.4154.6-99.80000123.7
209P55.6Low42.5Very low104 Ų104124.3 Ų124.368%0.67581%0.811SS**  cis-146.9164.98.119.49.9000121.3
210L44.7Very low43Very low160 Ų160126.7 Ų126.784%0.83881%0.811SS**  trans71.7174.4134.8-62.8173.5000123.9
211P62Low42.6Very low110 Ų110121.3 Ų121.371%0.71480%0.8SS**  -141.2-166.6-82.643.9-22.3000114.5
212V38.2Very low43Very low143 Ų143123.1 Ų123.187%0.86780%0.803SS**  trans136.4138.8157.81550000111.1
213A35.2Very low42.8Very low80 Ų80120.8 Ų120.866%0.66180%0.798SS**  cis-167.1135.2-300000106.1
214L35Very low42.6Very low179 Ų179120.5 Ų120.594%0.93780%0.796SS**  89.8120.586.3-157.681.3000115.1
215G32.4Very low42.9Very low66 Ų66116.6 Ų116.668%0.6879%0.789SS**  trans102.3140.7147.500000115.6
216S37.5Very low43Very low125 Ų125113.4 Ų113.487%0.87478%0.778SS**  cis-168.1148.9-3.5-790000106.3
217G31.1Very low43.2Very low73 Ų73116 Ų11675%0.75378%0.782SS**  trans-71.1-163.4172.500000113.5
218P51.9Low42.3Very low137 Ų137119.7 Ų119.789%0.8979%0.786SS**  cis-136.9-173.716.234.2-10.4000115.6
219G32.2Very low42.6Very low71 Ų71117.8 Ų117.873%0.73279%0.785SS**  trans-73.1-148.5-175.400000116.9
220P51.1Low41.7Very low133 Ų133118.1 Ų118.186%0.86480%0.797SS**  cis-128-178.86.636.5-15.6000115.5
221G36.6Very low41.2Very low72 Ų72118 Ų11874%0.74280%0.796SS**  trans-69-154.9178.700000115.7
222P47.9Very low40Very low136 Ų136123.7 Ų123.788%0.88380%0.803SS**  cis-126.6167.88.738.8-20.6000114.1
223G37.9Very low39.9Very low70 Ų70121.4 Ų121.472%0.72280%0.799SS**  122158.1104.800000112.7
224P53.3Low39.8Very low112 Ų112120.7 Ų120.773%0.72780%0.8SS**  trans-124.1168.6-136.241.5-28.3000116.2
225Q43.4Very low39.9Very low166 Ų166119.3 Ų119.378%0.77680%0.798SS**  trans71.7168.2160.7-46.2-60.56.100118.5
226P40.1Very low40.3Very low99 Ų99120.8 Ų120.864%0.64380%0.804SS**  cis-124.9159-20.820.22.3000113.6
227L50.9Low40.1Very low169 Ų169118.6 Ų118.689%0.88580%0.802SS**  trans-56.7133.1167.1-54.6156.1000111.3
228K36Very low40.2Very low193 Ų193119.1 Ų119.184%0.83981%0.807SS**  trans-156.5139.6153.836.1-168.4172.1-166.20112.4
229G41.5Very low39.4Very low76 Ų76116.7 Ų116.778%0.78481%0.807SS**  trans-44.7140.7-166.400000117.2L231G229-L231 VanDerWaalsContact C-N 3.34Å; G229-L231 PolarHBondContact O-N 3.21Å
230A35.9Very low39.4Very low111 Ų111117.2 Ų117.292%0.91781%0.812SS**  trans-70.494.415800000108.8
231L35.5Very low38.6Very low158 Ų158114.8 Ų114.883%0.82781%0.811SS**  trans-72.5126.9154.1-165.975.2000106.8G229 A233G229-L231 VanDerWaalsContact C-N 3.34Å; G229-L231 PolarHBondContact O-N 3.21Å; L231-A233 PolarHBondContact O-N 3.29Å
232W37.5Very low38.6Very low229 Ų229115.1 Ų115.187%0.86781%0.814SS**  trans-75.8105.1170.958.3-77000108.2
233A35.5Very low38.7Very low95 Ų95115 Ų11579%0.78581%0.814SS**  trans-75.7133.2151.700000106.3L231L231-A233 PolarHBondContact O-N 3.29Å
234G31.8Very low38.7Very low65 Ų65115.4 Ų115.467%0.6782%0.818SS**  cis112.393.437.800000106.1
235V38.8Very low38.2Very low149 Ų149115.1 Ų115.190%0.90383%0.825SS**  trans-102.5104.2161.7600000107.1
236A39.6Very low38.2Very low97 Ų97110.6 Ų110.680%0.80282%0.823SS**  trans-67.3154.2161.100000108.8
237G34Very low38.4Very low80 Ų80111.6 Ų111.683%0.82584%0.84SS**  cis175.6174.46.500000108.7
238G32.6Very low38.2Very low84 Ų84107.5 Ų107.587%0.86683%0.83SS**  trans161.388.5173.700000110
239G36Very low38.8Very low86 Ų86105.9 Ų105.989%0.88783%0.826SS**  trans-79.3173.3-163.100000117.3
240G32.3Very low39.2Very low81 Ų81110.4 Ų110.484%0.83583%0.831SS**  trans165.684.9165.600000114.5
241G32.7Very low40Very low83 Ų83113.2 Ų113.286%0.85683%0.83SS**  trans77.4107.7138.900000122
242G36.9Very low40.6Very low78 Ų78112.8 Ų112.880%0.80482%0.821SS**  87.2156.6128.400000119.7
243P50.2Low41Very low134 Ų134106.1 Ų106.187%0.8782%0.815SS**  trans-118.5156.1-130.837.8-26.3000116.4
244G38.7Very low41.8Very low79 Ų79113.5 Ų113.581%0.81482%0.823SS**  trans78.2100.4133.900000119.7
245A43.3Very low42.5Very low106 Ų106117.2 Ų117.288%0.87682%0.823SS**  trans-177.3117.3140.700000106.2
246G43.3Very low42.9Very low71 Ų71116 Ų11673%0.73282%0.817SS**  114.496.181.200000107.7A248G246-A248 PolarHBondContact O-N 3.47Å
247A43.4Very low43.1Very low120 Ų120116.2 Ų116.299%0.99282%0.819SS**SBendtrans-71.856-177.900000113
248A47.7Very low43.5Very low83 Ų83121.3 Ų121.369%0.68682%0.822SS**  trans-136.141.1-173.700000113.4G246G246-A248 PolarHBondContact O-N 3.47Å
249E47.1Very low44.6Very low159 Ų159123.3 Ų123.374%0.74382%0.823SS**  trans-13722177.9-117.4-125113.500115
250L49.7Very low45.4Very low171 Ų171122.2 Ų122.290%0.89581%0.811SS**SBendtrans-102.110.3175.9-65.8178000114.1
251L52.7Low46.5Very low170 Ų170124.2 Ų124.289%0.8981%0.809SS**SBendtrans-108.21-177.2-57.4152.6000112.8
252K48.8Very low47.4Very low148 Ų148122.4 Ų122.464%0.64379%0.79SS**SBendtrans-112.621.3-175.3-152.4161.5173.670.20114.4
253A46.5Very low48.5Very low89 Ų89124.8 Ų124.874%0.73679%0.792SS**SBendtrans-100.94.5178.100000114.5
254W50.8Low48.7Very low251 Ų251127.9 Ų127.995%0.95179%0.792SS**  trans-118.773.2171.4-97.480.9000110.2
255Q47.8Very low49.6Very low143 Ų143129.6 Ų129.667%0.66879%0.792SS**  trans-114.7137.1157.3-71-153.2-6.500109.3A257Q255-A257 PolarHBondContact O-N 2.81Å
256P46.7Very low50.3Low122 Ų122127.8 Ų127.879%0.79278%0.783SS**PPolyproline II helixtrans-66.5117.3174.627.2-31000108.5E258P256-E258 PolarHBondContact O-N 3.36Å
257A44.5Very low51Low102 Ų102131 Ų13184%0.84379%0.788SS**PPolyproline II helixtrans-57.1130.6176.600000110.2Q255Q255-A257 PolarHBondContact O-N 2.81Å
258E42.2Very low51.6Low187 Ų187133.3 Ų133.387%0.87478%0.783SS**PPolyproline II helixtrans-64.7137.5-178.8-44.4-158.7108.400109.3P256 G260P256-E258 PolarHBondContact O-N 3.36Å; E258-G260 PolarHBondContact O-N 2.97Å
259S54.8Low51.8Low127 Ų127135.4 Ų135.489%0.88879%0.792SS**  trans-73.487.6-174.919.70000110.2
260G52.8Low52.1Low62 Ų62132 Ų13264%0.63979%0.786SS**  trans-72.6138.216600000111.3E258 G262E258-G260 PolarHBondContact O-N 2.97Å; G260-G262 PolarHBondContact O-N 3.1Å
261P56.3Low51.9Low123 Ų123133.1 Ų133.180%0.79978%0.784SS**  trans-70.2114-176.426.8-32.1000111
262G50.8Low51.8Low45 Ų45133.3 Ų133.346%0.46478%0.78SS.*  trans-69.4157.9169.100000112.1G260 F264 S265G260-G262 PolarHBondContact O-N 3.1Å; G262-F264 PolarHBondContact O-N 3.37Å; G262-S265 PolarHBondContact O-N 2.91Å
263P61.1Low52Low128 Ų128137.7 Ų137.783%0.83179%0.793SS**THydrogen-bonded Turntrans-7322.1-168.130.8-37000115.8
264F54.3Low52.5Low199 Ų199142.7 Ų142.787%0.87380%0.798SS**THydrogen-bonded Turntrans-122.913177.3-67.5-77.8000113.7G262 G266G262-F264 PolarHBondContact O-N 3.37Å; F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.96Å; F264-G266 VanDerWaalsContact O-N 3.08Å
265S57.5Low52.8Low116 Ų116136.5 Ų136.581%0.81179%0.79SS**  trans-85.175173.3-153.10000110.1G262G262-S265 PolarHBondContact O-N 2.91Å
266G57.2Low53.1Low67 Ų67132.8 Ų132.869%0.69179%0.79SS**  trans-161.718.2-170.300000117.3F264F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.96Å; F264-G266 VanDerWaalsContact O-N 3.08Å
267V58.3Low53.8Low139 Ų139133 Ų13384%0.84279%0.791SS**SBendtrans-146.281.9166.5-177.70000109.1
268L55.9Low54.4Low169 Ų169132.6 Ų132.689%0.88579%0.788SS**  trans-166.467155.8-101.5164.6000107.6
269S51.5Low55Low126 Ų126130.3 Ų130.388%0.88178%0.781SS**  trans-153.690.5165.6-158.20000110
270S54.3Low54.8Low87 Ų87132.4 Ų132.461%0.60877%0.774SS**  trans172.778.2139.1-166.90000109H272S270-H272 PolarHBondContact OG-ND1 3.21Å
271F45.5Very low55.4Low195 Ų195135.9 Ų135.986%0.85578%0.783SS**  trans-103.890.6150.1-77.5-74.1000106.8R273F271-R273 PolarHBondContact O-N 3.49Å
272H49.9Very low55.2Low174 Ų174137.5 Ų137.581%0.80679%0.785SS**  trans-62102.4161.7-8965.1000108.2S270 K274S270-H272 PolarHBondContact OG-ND1 3.21Å; H272-K274 PolarHBondContact O-N 2.99Å
273R52.9Low55.3Low241 Ų241143.1 Ų143.191%0.90980%0.803SS**  trans-75.8104.4163.3-80.2-167.5175.3-157.30.2108.4F271F271-R273 PolarHBondContact O-N 3.49Å
274K58.1Low55.1Low194 Ų194150.5 Ų150.584%0.84382%0.823SS**PPolyproline II helixtrans-58.6129.1167.2-169.2166.1-179.4172.10109.4H272 G276H272-K274 PolarHBondContact O-N 2.99Å; K274-G276 PolarHBondContact O-N 3.18Å
275P56.7Low55.2Low120 Ų120148.1 Ų148.178%0.77982%0.821SS**PPolyproline II helixtrans-70.6119170.426.8-30000109
276G54.7Low55Low65 Ų65149.8 Ų149.867%0.6782%0.821SS**PPolyproline II helixtrans-73.4148.6171.300000111.1K274 A278K274-G276 PolarHBondContact O-N 3.18Å; G276-A278 PolarHBondContact O-N 3.37Å
277P61Low54.9Low127 Ų127154.4 Ų154.483%0.82583%0.828SS**PPolyproline II helixtrans-73.1127.9-178.528.8-32.5000111.5L279P277-L279 PolarHBondContact O-N 3.37Å
278A57.1Low54.7Low93 Ų93155.3 Ų155.377%0.76983%0.828SS**PPolyproline II helixtrans-65.7122.3166.600000110.4G276G276-A278 PolarHBondContact O-N 3.37Å
279L54.9Low54.7Low139 Ų139154.4 Ų154.473%0.72882%0.824SS**  trans-150.2109.2159.1-72.3-178000113P277P277-L279 PolarHBondContact O-N 3.37Å
280K50.9Low54.9Low171 Ų171156.3 Ų156.374%0.74382%0.82SS**  trans68.5101.6133-64.9165179.5173.40118.9N282K280-N282 PolarHBondContact O-N 3.42Å
281T63.6Low54.9Low135 Ų135161.3 Ų161.383%0.82884%0.835SS**  trans-60.3117.2146.752.40000109.3
282N52.7Low55.6Low157 Ų157158.7 Ų158.784%0.8483%0.834SS**  trans-91112.3160.7-80.3-66.9000107.5K280K280-N282 PolarHBondContact O-N 3.42Å
283L53.7Low56.1Low163 Ų163157.4 Ų157.485%0.85384%0.836SS**  trans-94.2114.4157.2-127.578.2000105.7
284F57.1Low56.4Low284 Ų284149.8 Ų149.8100%1.24683%0.829SS**  trans-157.60143.8-129.8-85.2000108.7

Retrieved 284 of 284 residues in 119.6 ms (Link to these results)