A0A087XYV7_POEFO Loading...

Zinc finger protein 385A

AlphaFold DB , UniProt , Accession A0A087XYV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 415 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M44.4Very low43.3Very low243 Ų243146.3 Ų146.3100%1.19784%0.842SS**  0172.90-76-178.3174.800108.9
2I39.4Very low43.3Very low156 Ų156145 Ų14580%0.884%0.838SS**  trans83.779.3177.9-45.9175.7000114.9
3L41.6Very low43.7Very low169 Ų169142.8 Ų142.889%0.88583%0.831SS**  43.7127.7119.6-60.3167.9000120
4G39.3Very low43.4Very low71 Ų71139 Ų13973%0.73283%0.825SS**  trans-86.7-175.216800000113.8
5S37.8Very low43.4Very low128 Ų128143.4 Ų143.490%0.89583%0.83SS**  trans-151.4140.4172.1-79.30000112.4
6V47.7Very low43.4Very low138 Ų138144.3 Ų144.384%0.83683%0.83SS**  trans-80.5149.5173.8169.20000109.6
7N39.4Very low43.3Very low157 Ų157149.2 Ų149.284%0.8483%0.832SS**  trans-148.6122.6160.8-137.5-67.2000116.3
8R41.6Very low42.9Very low232 Ų232149.8 Ų149.888%0.87583%0.833SS**  trans-151.8153.6154.3-99.9-168.5176.6-143.4-0.2103.2
9P48.8Very low43.1Very low117 Ų117147.2 Ų147.276%0.7682%0.823SS**  cis-153.7-159.346.139.2-15.4000116.1
10A37.6Very low43.3Very low88 Ų88145.5 Ų145.573%0.72782%0.819SS**  trans96.9165149.700000118.2
11P59Low43.2Very low110 Ų110145.4 Ų145.471%0.71482%0.821SS**  -142-155.8-103.738.1-14000115.8
12V43.2Very low43.5Very low131 Ų131141.7 Ų141.779%0.79481%0.806SS**  trans90.4156.1165.6-44.60000119.3
13P48.1Very low43.6Very low116 Ų116139.7 Ų139.775%0.75380%0.803SS**  cis-126.9-179.1-30.926.2-4.6000113.6
14A39.3Very low43.5Very low90 Ų90136.8 Ų136.874%0.74480%0.797SS**  trans-107.5152.4176.900000113.5
15F43.7Very low44Very low205 Ų205138.9 Ų138.990%0.89980%0.797SS**  trans-136.2164.2162.6-90.4-78.7000111.2
16L43.1Very low44.6Very low157 Ų157140.6 Ų140.682%0.82280%0.795SS**  trans-101.7131.9-149.6-71.8155.1000116.1
17R42.8Very low44.7Very low229 Ų229139.3 Ų139.386%0.86478%0.784SS**  54.9110.4126.6-165.3-179.9-166.4145.92.4120.7
18N35.1Very low45.2Very low159 Ų159139.7 Ų139.785%0.8578%0.783SS**  -159.2145.4129.7-137.74.7000112.5
19P46.1Very low45.5Very low100 Ų100135.3 Ų135.365%0.64977%0.77SS**  trans-114.3-168.617541.2-29000112.3
20P48.3Very low45.6Very low114 Ų114135.4 Ų135.474%0.7477%0.77SS**  -129.2150-59.637-22.6000113
21V40.4Very low45.6Very low144 Ų144140.8 Ų140.887%0.87378%0.778SS**  trans-141.6126.4160.6-177.70000110.6
22L51.7Low44.8Very low165 Ų165143 Ų14386%0.86478%0.783SS**PPolyproline II helixtrans-86.9134.3173.4-82149.7000111
23P41.4Very low44.6Very low114 Ų114145.2 Ų145.274%0.7478%0.784SS**PPolyproline II helixtrans-93.1134.8153.833-27.8000110.8
24S39Very low44.1Very low108 Ų108148.8 Ų148.876%0.75579%0.789SS**PPolyproline II helixtrans-75.8138.8179.5-48.40000112.8
25P49.4Very low44Very low115 Ų115149.7 Ų149.775%0.74779%0.787SS**  trans-89.8112.8154.232.2-26.1000109.6
26L49.9Very low44.3Very low163 Ų163147.9 Ų147.985%0.85379%0.786SS**  trans-82.2160.3165.9-72173.6000110.7
27D50.8Low43.8Very low112 Ų112147.9 Ų147.960%0.59978%0.781SS**  trans68.675.1176.4-159.3-122.4000117.3K29D27-K29 IonicContact OD1-NZ 2.83Å; D27-K29 PolarHBondContact OD1-NZ 3.03Å; D27-K29 WeakPolarHBondContact OD2-CE 3.34Å; D27-K29 IonicContact OD2-NZ 2.62Å; D27-K29 PolarHBondContact OD2-NZ 3.14Å
28M49.1Very low44Very low165 Ų165141.7 Ų141.781%0.81377%0.774SS**  trans-128.3120.6139.724.5-151.374.400109.4
29K49Very low44Very low139 Ų139139.1 Ų139.160%0.60477%0.765SS**  trans-60.4124.9-172.7-75.769.7173.1166.30109.7D27 F31D27-K29 IonicContact OD1-NZ 2.83Å; D27-K29 PolarHBondContact OD1-NZ 3.03Å; D27-K29 WeakPolarHBondContact OD2-CE 3.34Å; D27-K29 IonicContact OD2-NZ 2.62Å; D27-K29 PolarHBondContact OD2-NZ 3.14Å; K29-F31 PolarHBondContact O-N 2.98Å
30P49.8Very low44.1Very low119 Ų119141.9 Ų141.977%0.77377%0.769SS**  trans-67.8109167.727.7-31.4000108.4L32P30-L32 PolarHBondContact O-N 3.46Å
31F39.1Very low43.8Very low201 Ų201142 Ų14288%0.88277%0.77SS**  trans-61.8107166-84.9-97.2000108.3K29 Q33K29-F31 PolarHBondContact O-N 2.98Å; F31-Q33 PolarHBondContact O-N 3.26Å
32L41.4Very low43.9Very low157 Ų157139.2 Ų139.282%0.82276%0.762SS**  trans17.286.5168.5-62.9176.9000114.5P30 F34P30-L32 PolarHBondContact O-N 3.46Å; L32-F34 PolarHBondContact O-N 3.07Å
33Q38.9Very low43.5Very low177 Ų177135.3 Ų135.383%0.82776%0.762SS**  trans-49110.6158.8177.2173.5-14.800108.2F31 P35F31-Q33 PolarHBondContact O-N 3.26Å; Q33-P35 WeakPolarHBondContact O-CD 3.37Å
34F36.7Very low43.6Very low192 Ų192137.9 Ų137.984%0.84277%0.768SS**  trans-55.8127.1173.9-73.9-87.3000108.3L32 L36L32-F34 PolarHBondContact O-N 3.07Å; F34-L36 PolarHBondContact O-N 2.76Å
35P38.3Very low44.1Very low109 Ų109135.2 Ų135.271%0.70876%0.758SS**  trans-59.7111.8168.5-22.333.9000108.4Q33 E37Q33-P35 WeakPolarHBondContact O-CD 3.37Å; P35-E37 HydrophobicContact CB-CB 4.18Å; P35-E37 PolarHBondContact O-N 3.02Å
36L49.6Very low44.5Very low166 Ų166137.1 Ų137.187%0.86976%0.761SS**  trans-74.755.5160.9-174.960.6000108.2F34F34-L36 PolarHBondContact O-N 2.76Å
37E33.2Very low44.3Very low157 Ų157135.4 Ų135.473%0.73475%0.747SS**  trans-86.4120.8174.6-161.969.7-174.300106.9P35 P39P35-E37 HydrophobicContact CB-CB 4.18Å; P35-E37 PolarHBondContact O-N 3.02Å; E37-P39 WeakPolarHBondContact O-CD 3.16Å
38S45.8Very low44.5Very low100 Ų100139 Ų13970%0.69976%0.76SS**  trans-102.385.7176-68.90000111.1
39P37Very low44.7Very low105 Ų105135.8 Ų135.868%0.68275%0.746SS**PPolyproline II helixtrans-81.2121.3162.132.4-30.5000109.2E37 P41E37-P39 WeakPolarHBondContact O-CD 3.16Å; P39-P41 WeakPolarHBondContact O-CD 3.44Å
40H47.1Very low45.3Very low157 Ų157133.2 Ų133.273%0.72773%0.734SS**PPolyproline II helixtrans-53.3122.1170.9-76.357.1000110.5A42H40-A42 PolarHBondContact O-N 3.38Å
41P41.5Very low45.8Very low116 Ų116133.2 Ų133.275%0.75373%0.728SS**PPolyproline II helixtrans-73.5120.8166.329.7-30.5000108.6P39 G43P39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-G43 PolarHBondContact O-N 3.14Å
42A43Very low47.2Very low86 Ų86127.5 Ų127.571%0.71172%0.718SS**  trans-24.1121.5178.500000115.2H40 I44H40-A42 PolarHBondContact O-N 3.38Å; A42-I44 VanDerWaalsContact O-CG1 3.3Å; A42-I44 WeakPolarHBondContact O-CG1 3.39Å; A42-I44 PolarHBondContact O-N 3.5Å
43G44.1Very low48.7Very low84 Ų84122.3 Ų122.387%0.86669%0.69SS**  trans-66.793.4173.600000111.4P41 G45P41-G43 PolarHBondContact O-N 3.14Å; G43-G45 PolarHBondContact O-N 2.82Å
44I42.1Very low50.6Low167 Ų167118.1 Ų118.186%0.85667%0.673SS**  trans-76.885.8180-36.4-179.2000110.1A42 L46A42-I44 VanDerWaalsContact O-CG1 3.3Å; A42-I44 WeakPolarHBondContact O-CG1 3.39Å; A42-I44 PolarHBondContact O-N 3.5Å; I44-L46 PolarHBondContact O-N 3.19Å
45G49.5Very low52.6Low53 Ų53113.7 Ų113.755%0.54666%0.664SS.*SBendtrans55.160.8143.900000118.7G43G43-G45 PolarHBondContact O-N 2.82Å
46L58Low54.5Low155 Ų155113.3 Ų113.381%0.81266%0.659SS**SBendtrans-118.6-28.6154-102.9166000113.3I44I44-L46 PolarHBondContact O-N 3.19Å
47F47.3Very low55.6Low126 Ų126110.2 Ų110.255%0.55364%0.641SS**SBendtrans-137.5124.8164.8-63.6-78.7000109.7N49 M61F47-N49 PolarHBondContact O-N 3.3Å; F47-M61 HydrophobicContact CD2-CE 4.41Å; F47-M61 HydrophobicContact CE2-CE 4.43Å
48H54.9Low57.7Low189 Ų189105.4 Ų105.488%0.87562%0.617SS**THydrogen-bonded Turntrans-70.914.3-175.8-81.186.5000114.6
49N53.3Low59.1Low97 Ų97103.4 Ų103.452%0.51961%0.607SS.*THydrogen-bonded Turntrans-159.444.3168.8-137.9-42000116.2F47 N51 A52F47-N49 PolarHBondContact O-N 3.3Å; N49-N51 PolarHBondContact O-N 3.43Å; N49-N51 VanDerWaalsContact O-N 3.1Å; N49-A52 PolarHBondContact O-N 2.79Å; N49-A52 WeakPolarHBondContact OD1-CB 3.2Å; N49-A52 PolarHBondContact OD1-N 3.11Å
50F60.8Low61.1Low84 Ų84102.5 Ų102.537%0.36860%0.599SS.*THydrogen-bonded Turntrans-64.4-15178.2-163.6-100.2000113.9M53 K58 M61F50-M53 HydrophobicContact CD2-SD 4.23Å; F50-K58 HydrophobicContact CE1-CD 4.23Å; F50-K58 HydrophobicContact CE1-CG 4.5Å; F50-K58 HydrophobicContact CE2-CG 4.3Å; F50-K58 HydrophobicContact CZ-CB 4.32Å; F50-K58 HydrophobicContact CZ-CD 4.3Å; F50-K58 HydrophobicContact CZ-CG 4.08Å; F50-K58 WeakPolarHBondContact O-CE 3.25Å; F50-K58 PolarHBondContact O-NZ 2.78Å; F50-K58 VanDerWaalsContact O-NZ 3.11Å; F50-M61 HydrophobicContact CD2-CE 4.43Å; F50-M61 HydrophobicContact CE2-CE 4.36Å
51N59.6Low62.2Low120 Ų12096.6 Ų96.664%0.64257%0.572SS**THydrogen-bonded Turntrans-77.7-45.3177.5-145.7-46.2000112N49 M53 K58N49-N51 PolarHBondContact O-N 3.43Å; N49-N51 VanDerWaalsContact O-N 3.1Å; N51-M53 PolarHBondContact O-N 3.29Å; N51-K58 PolarHBondContact O-NZ 3.41Å
52A68.8Low63.5Low81 Ų8193.9 Ų93.967%0.66955%0.554SS**THydrogen-bonded Turntrans-86.75.7-176.600000116N49N49-A52 PolarHBondContact O-N 2.79Å; N49-A52 WeakPolarHBondContact OD1-CB 3.2Å; N49-A52 PolarHBondContact OD1-N 3.11Å
53M72.9Confident64.8Low48 Ų4898 Ų9824%0.23656%0.558CS.*SBendtrans-69.3150.5174.2-78.1176.7170.900112.5F50 N51 K58 M61F50-M53 HydrophobicContact CD2-SD 4.23Å; N51-M53 PolarHBondContact O-N 3.29Å; M53-K58 HydrophobicContact CB-CG 3.99Å; M53-K58 WeakPolarHBondContact O-CE 3.13Å; M53-M61 HydrophobicContact CE-CE 4.14Å; M53-M61 HydrophobicContact CE-SD 4.33Å; M53-M61 HydrophobicContact SD-CE 3.82Å; M53-M61 HydrophobicContact SD-SD 3.87Å
54D79.4Confident66Low89 Ų8998.4 Ų98.448%0.47654%0.543SS..  trans-60140.8173.9-174.6-72.3000111.5V56 Q57 K58D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact OD1-CB 3.28Å; D54-V56 WeakPolarHBondContact OD1-CB 3.45Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.06Å; D54-V56 PolarHBondContact OD1-N 3.17Å; D54-Q57 HydrophobicContact CB-CB 4.16Å; D54-Q57 WeakPolarHBondContact O-CB 2.81Å; D54-Q57 PolarHBondContact O-N 3.04Å; D54-K58 PolarHBondContact O-N 3.29Å
55P79.1Confident67.2Low99 Ų9998.1 Ų98.164%0.64354%0.536SS*.Hα-helixtrans-51.8-37.7176.8-27.935.7000114.7K58 A59P55-K58 PolarHBondContact O-N 3Å; P55-A59 WeakPolarHBondContact O-CB 3.4Å; P55-A59 PolarHBondContact O-N 3.3Å
56V76.8Confident68Low101 Ų10196.9 Ų96.961%0.61252%0.523SS*.Hα-helixtrans-68-41.4177.4-176.80000110.4D54 A59 V60D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact OD1-CB 3.28Å; D54-V56 WeakPolarHBondContact OD1-CB 3.45Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.06Å; D54-V56 PolarHBondContact OD1-N 3.17Å; V56-A59 PolarHBondContact O-N 2.84Å; V56-V60 WeakPolarHBondContact O-CG2 3.45Å; V56-V60 PolarHBondContact O-N 3.23Å
57Q73.4Confident68.2Low101 Ų10194.3 Ų94.347%0.47252%0.516SS..Hα-helixtrans-67.3-37.3177-164.4172.7100111.5D54 M61D54-Q57 HydrophobicContact CB-CB 4.16Å; D54-Q57 WeakPolarHBondContact O-CB 2.81Å; D54-Q57 PolarHBondContact O-N 3.04Å; Q57-M61 HydrophobicContact CG-SD 4Å; Q57-M61 WeakPolarHBondContact O-CB 3.41Å; Q57-M61 WeakPolarHBondContact O-CG 3.34Å; Q57-M61 PolarHBondContact O-N 3.47Å
58K78Confident68.7Low56 Ų5692.6 Ų92.624%0.24352%0.517CS..Hα-helixtrans-63.8-41.8169.7-65.7-173.4-163.7-175.20112.1F50 N51 M53 D54 P55 M61 T62F50-K58 HydrophobicContact CE1-CD 4.23Å; F50-K58 HydrophobicContact CE1-CG 4.5Å; F50-K58 HydrophobicContact CE2-CG 4.3Å; F50-K58 HydrophobicContact CZ-CB 4.32Å; F50-K58 HydrophobicContact CZ-CD 4.3Å; F50-K58 HydrophobicContact CZ-CG 4.08Å; F50-K58 WeakPolarHBondContact O-CE 3.25Å; F50-K58 PolarHBondContact O-NZ 2.78Å; F50-K58 VanDerWaalsContact O-NZ 3.11Å; N51-K58 PolarHBondContact O-NZ 3.41Å; M53-K58 HydrophobicContact CB-CG 3.99Å; M53-K58 WeakPolarHBondContact O-CE 3.13Å; D54-K58 PolarHBondContact O-N 3.29Å; P55-K58 PolarHBondContact O-N 3Å; K58-M61 PolarHBondContact O-N 3.24Å; K58-T62 VanDerWaalsContact O-CB 3.31Å; K58-T62 WeakPolarHBondContact O-CB 3.41Å; K58-T62 PolarHBondContact O-N 3.34Å; K58-T62 PolarHBondContact O-OG1 3.18Å
59A73.4Confident68.7Low58 Ų5891.3 Ų91.348%0.47952%0.516SS..Hα-helixtrans-64.5-47.1179.400000111.4P55 V56 T62 H63P55-A59 WeakPolarHBondContact O-CB 3.4Å; P55-A59 PolarHBondContact O-N 3.3Å; V56-A59 PolarHBondContact O-N 2.84Å; A59-T62 PolarHBondContact O-N 3.34Å; A59-H63 VanDerWaalsContact O-CB 3.32Å; A59-H63 WeakPolarHBondContact O-CB 3.43Å; A59-H63 PolarHBondContact O-N 2.91Å
60V79.8Confident68.8Low85 Ų8591.4 Ų91.452%0.51552%0.519SS..Hα-helixtrans-58.8-50.7174.4167.30000111.1V56 T62 H63 T64V56-V60 WeakPolarHBondContact O-CG2 3.45Å; V56-V60 PolarHBondContact O-N 3.23Å; V60-T62 VanDerWaalsContact C-N 3.32Å; V60-T62 PolarHBondContact O-N 3.27Å; V60-H63 PolarHBondContact O-N 2.9Å; V60-H63 VanDerWaalsContact O-N 3.14Å; V60-T64 WeakPolarHBondContact O-CB 3.42Å; V60-T64 PolarHBondContact O-N 2.87Å; V60-T64 PolarHBondContact O-OG1 2.86Å
61M70.2Confident68.4Low33 Ų3397 Ų9716%0.16354%0.543CS..Hα-helixtrans-63.6-36.2179.6-73.8164.95900112.5F47 F50 M53 Q57 K58 F65F47-M61 HydrophobicContact CD2-CE 4.41Å; F47-M61 HydrophobicContact CE2-CE 4.43Å; F50-M61 HydrophobicContact CD2-CE 4.43Å; F50-M61 HydrophobicContact CE2-CE 4.36Å; M53-M61 HydrophobicContact CE-CE 4.14Å; M53-M61 HydrophobicContact CE-SD 4.33Å; M53-M61 HydrophobicContact SD-CE 3.82Å; M53-M61 HydrophobicContact SD-SD 3.87Å; Q57-M61 HydrophobicContact CG-SD 4Å; Q57-M61 WeakPolarHBondContact O-CB 3.41Å; Q57-M61 WeakPolarHBondContact O-CG 3.34Å; Q57-M61 PolarHBondContact O-N 3.47Å; K58-M61 PolarHBondContact O-N 3.24Å; M61-F65 HydrophobicContact CB-CD2 4.49Å; M61-F65 WeakPolarHBondContact O-CB 3.18Å; M61-F65 WeakPolarHBondContact O-CD2 3.47Å; M61-F65 PolarHBondContact O-N 3.33Å
62T69.1Low68.3Low60 Ų6096 Ų9637%0.36854%0.542SS..Hα-helixtrans-68.5-34.6174.6-51.80000112.1K58 A59 V60 G66K58-T62 VanDerWaalsContact O-CB 3.31Å; K58-T62 WeakPolarHBondContact O-CB 3.41Å; K58-T62 PolarHBondContact O-N 3.34Å; K58-T62 PolarHBondContact O-OG1 3.18Å; A59-T62 PolarHBondContact O-N 3.34Å; V60-T62 VanDerWaalsContact C-N 3.32Å; V60-T62 PolarHBondContact O-N 3.27Å; T62-G66 CarbonylContact O-C 3.23Å; T62-G66 VanDerWaalsContact O-C 3.23Å; T62-G66 WeakPolarHBondContact O-CA 3.34Å; T62-G66 PolarHBondContact O-N 3.28Å
63H69.4Low67.9Low172 Ų172101.8 Ų101.880%0.79655%0.552SS**Hα-helixtrans-76-36177.8-170.7-86.8000112.4A59 V60A59-H63 VanDerWaalsContact O-CB 3.32Å; A59-H63 WeakPolarHBondContact O-CB 3.43Å; A59-H63 PolarHBondContact O-N 2.91Å; V60-H63 PolarHBondContact O-N 2.9Å; V60-H63 VanDerWaalsContact O-N 3.14Å
64T70.9Confident67.6Low92 Ų92108 Ų10856%0.56457%0.573SS**Hα-helixtrans-79.4-38.6179.8-61.30000113.3V60V60-T64 WeakPolarHBondContact O-CB 3.42Å; V60-T64 PolarHBondContact O-N 2.87Å; V60-T64 PolarHBondContact O-OG1 2.86Å
65F66.8Low67Low161 Ų161108.7 Ų108.771%0.70658%0.582SS**Hα-helixtrans-106-1-176.4-62.6-74.5000114.1M61M61-F65 HydrophobicContact CB-CD2 4.49Å; M61-F65 WeakPolarHBondContact O-CB 3.18Å; M61-F65 WeakPolarHBondContact O-CD2 3.47Å; M61-F65 PolarHBondContact O-N 3.33Å
66G65.5Low66.7Low27 Ų27109.3 Ų109.328%0.27858%0.579SS.*  trans70.4175.1-168.300000112.5T62T62-G66 CarbonylContact O-C 3.23Å; T62-G66 VanDerWaalsContact O-C 3.23Å; T62-G66 WeakPolarHBondContact O-CA 3.34Å; T62-G66 PolarHBondContact O-N 3.28Å
67P63.4Low67.2Low102 Ų102106.9 Ų106.966%0.66256%0.562SS**SBendtrans-55.3129.1167.3-21.532.8000109.1I69P67-I69 PolarHBondContact O-N 3.03Å
68P56.5Low68.1Low89 Ų89104.5 Ų104.558%0.57856%0.556SS**  trans-55.4116.5177.2-25.634.1000109.2V70P68-V70 HydrophobicContact CB-CG1 4.4Å; P68-V70 PolarHBondContact O-N 2.86Å
69I55.9Low68.9Low163 Ų163101.9 Ų101.984%0.83655%0.545SS*.  trans-73.968.9174.1-46.1175.4000107.3P67 K71P67-I69 PolarHBondContact O-N 3.03Å; I69-K71 PolarHBondContact O-N 3.35Å; I69-K71 VanDerWaalsContact O-N 3.07Å
70V54.3Low69.7Low98 Ų98105.9 Ų105.959%0.59456%0.558SS**  trans-54118.7169.5-74.70000106.2P68 T72P68-V70 HydrophobicContact CB-CG1 4.4Å; P68-V70 PolarHBondContact O-N 2.86Å; V70-T72 HydrophobicContact CB-CG2 4.29Å; V70-T72 HydrophobicContact CG2-CG2 3.86Å; V70-T72 PolarHBondContact O-N 3.19Å; V70-T72 PolarHBondContact O-OG1 2.87Å
71K53.6Low70.3Confident201 Ų201104 Ų10487%0.87455%0.547SS*.  trans-7460.9168.7-66.3174-176170.20107.7I69 K73I69-K71 PolarHBondContact O-N 3.35Å; I69-K71 VanDerWaalsContact O-N 3.07Å; K71-K73 PolarHBondContact O-N 3.29Å
72T56.7Low71.3Confident100 Ų100103 Ų10361%0.61354%0.544SS*.  trans-50.9114.7163.737.50000105.6V70 R74V70-T72 HydrophobicContact CB-CG2 4.29Å; V70-T72 HydrophobicContact CG2-CG2 3.86Å; V70-T72 PolarHBondContact O-N 3.19Å; V70-T72 PolarHBondContact O-OG1 2.87Å; T72-R74 PolarHBondContact O-N 2.99Å
73K61Low72.3Confident202 Ų202108.8 Ų108.888%0.87857%0.566SS**  trans-60.5103-177.1-67.2176.6-178.9174.70106.3K71K71-K73 PolarHBondContact O-N 3.29Å
74R65.6Low73.3Confident179 Ų179103.7 Ų103.768%0.67554%0.544SS*.  trans-49.4127-177.5-68.8-178.7-179.7163.5-1.6107.9T72 I76T72-R74 PolarHBondContact O-N 2.99Å; R74-I76 PolarHBondContact O-N 2.97Å
75P67.5Low74.3Confident104 Ų104108.8 Ų108.868%0.67555%0.553SS**  trans-58.6118.2-177.122.6-32.3000108.6I77P75-I77 VanDerWaalsContact C-N 3.3Å; P75-I77 PolarHBondContact O-N 3.29Å
76I73.6Confident75.5Confident112 Ų112102.1 Ų102.157%0.57452%0.524SS*.  trans-76.389.8178.5-60.8174.9000107R74 S78 R85R74-I76 PolarHBondContact O-N 2.97Å; I76-S78 PolarHBondContact O-N 2.87Å; I76-R85 HydrophobicContact CG2-CB 3.86Å; I76-R85 HydrophobicContact CG2-CG 4.28Å
77I87.6Confident76.5Confident49 Ų49105.7 Ų105.725%0.25154%0.537SS..  trans-67.7130.7177-61.5157000107.7P75 F86 E89 A92 Y96P75-I77 VanDerWaalsContact C-N 3.3Å; P75-I77 PolarHBondContact O-N 3.29Å; I77-F86 PolarHBondContact O-N 3.39Å; I77-E89 HydrophobicContact CD1-CB 3.77Å; I77-E89 HydrophobicContact CD1-CG 4.05Å; I77-A92 HydrophobicContact CB-CB 3.96Å; I77-A92 HydrophobicContact CD1-CB 4.49Å; I77-A92 HydrophobicContact CG2-CB 3.44Å; I77-A92 VanDerWaalsContact CG2-CB 3.44Å; I77-Y96 HydrophobicContact CG2-CE2 4.37Å
78S91.6Very high77.8Confident51 Ų51103 Ų10336%0.35752%0.52SS..EExtended strand (participates in β ladder)trans-135.8145.7-17773.30000112.4I76 I84 Y96I76-S78 PolarHBondContact O-N 2.87Å; S78-I84 CarbonylContact C-O 3.58Å; S78-I84 VanDerWaalsContact CA-O 3.3Å; S78-I84 WeakPolarHBondContact CA-O 3.4Å; S78-Y96 PolarHBondContact O-OH 2.89Å
79C94.1Very high79.4Confident1 Ų1105.2 Ų105.21%0.00752%0.523CS..EExtended strand (participates in β ladder)trans-104.5107.7-1771710000110.1V81 C82 Q83 I84 F86 H95 Y96 H101C79-V81 VanDerWaalsContact C-N 3.32Å; C79-V81 PolarHBondContact O-N 2.74Å; C79-C82 HydrophobicContact CB-CB 4.45Å; C79-C82 PolarHBondContact O-N 2.74Å; C79-C82 PolarHBondContact SG-N 3.28Å; C79-Q83 VanDerWaalsContact O-CA 3.31Å; C79-Q83 WeakPolarHBondContact O-CA 3.33Å; C79-Q83 PolarHBondContact O-N 3.5Å; C79-I84 PolarHBondContact N-O 3.25Å; C79-I84 PolarHBondContact O-N 3.35Å; C79-F86 HydrophobicContact CB-CE2 4.24Å; C79-H95 PolarHBondContact SG-NE2 2.97Å; C79-Y96 WeakPolarHBondContact CA-OH 3.32Å; C79-Y96 HydrophobicContact CB-CE1 3.73Å; C79-H101 PolarHBondContact SG-CE1 3.22Å; C79-H101 PolarHBondContact SG-ND1 2.96Å
80N91.4Very high81.1Confident142 Ų142101 Ų10176%0.75951%0.507SS*.THydrogen-bonded Turntrans-63.1-35.5-177.6-67.2-28000113.1C82N80-C82 VanDerWaalsContact C-N 3.29Å; N80-C82 PolarHBondContact O-N 3.17Å
81V91.4Very high82.9Confident47 Ų47101.4 Ų101.429%0.28550%0.503SS..THydrogen-bonded Turntrans-63.8-35.6177.4177.90000111.6C79 R104 V105 I108C79-V81 VanDerWaalsContact C-N 3.32Å; C79-V81 PolarHBondContact O-N 2.74Å; V81-R104 HydrophobicContact CG1-CB 4.1Å; V81-R104 HydrophobicContact CG1-CG 3.72Å; V81-R104 WeakPolarHBondContact O-CD 3.46Å; V81-V105 HydrophobicContact CG1-CG2 3.99Å; V81-V105 HydrophobicContact CG2-CG2 4.32Å; V81-I108 HydrophobicContact CB-CD1 4.49Å; V81-I108 HydrophobicContact CG1-CD1 3.96Å; V81-I108 HydrophobicContact CG2-CD1 3.87Å
82C90.4Very high84.8Confident12 Ų1292 Ų928%0.08146%0.463CS..THydrogen-bonded Turntrans-104.4-11.6-176.9-680000114.9C79 N80 I84 H95C79-C82 HydrophobicContact CB-CB 4.45Å; C79-C82 PolarHBondContact O-N 2.74Å; C79-C82 PolarHBondContact SG-N 3.28Å; N80-C82 VanDerWaalsContact C-N 3.29Å; N80-C82 PolarHBondContact O-N 3.17Å; C82-I84 HydrophobicContact CB-CD1 4.01Å; C82-I84 HydrophobicContact CB-CG1 3.89Å; C82-I84 PolarHBondContact O-N 3.33Å; C82-H95 WeakPolarHBondContact CB-NE2 3.33Å; C82-H95 PolarHBondContact SG-CE1 2.86Å; C82-H95 PolarHBondContact SG-NE2 3.38Å
83Q91.6Very high86.5Confident181 Ų18191.6 Ų91.685%0.84645%0.454SS*.THydrogen-bonded Turntrans52.538.4-169.4-57-17323.100113.5C79C79-Q83 VanDerWaalsContact O-CA 3.31Å; C79-Q83 WeakPolarHBondContact O-CA 3.33Å; C79-Q83 PolarHBondContact O-N 3.5Å
84I90.5Very high88.2Confident65 Ų6585.2 Ų85.233%0.33344%0.438SS..EExtended strand (participates in β ladder)trans-107134.2177.9-52.9-179.4000109.2S78 C79 C82 F86S78-I84 CarbonylContact C-O 3.58Å; S78-I84 VanDerWaalsContact CA-O 3.3Å; S78-I84 WeakPolarHBondContact CA-O 3.4Å; C79-I84 PolarHBondContact N-O 3.25Å; C79-I84 PolarHBondContact O-N 3.35Å; C82-I84 HydrophobicContact CB-CD1 4.01Å; C82-I84 HydrophobicContact CB-CG1 3.89Å; C82-I84 PolarHBondContact O-N 3.33Å; I84-F86 HydrophobicContact CB-CE1 4.48Å; I84-F86 HydrophobicContact CB-CE2 4.09Å; I84-F86 HydrophobicContact CB-CZ 3.77Å; I84-F86 HydrophobicContact CG2-CD1 4.3Å; I84-F86 HydrophobicContact CG2-CE1 3.57Å; I84-F86 HydrophobicContact CG2-CE2 3.95Å; I84-F86 HydrophobicContact CG2-CZ 3.34Å
85R91.7Very high89.6Confident198 Ų19877.8 Ų77.875%0.74741%0.411SS*.EExtended strand (participates in β ladder)trans-104.5137173.7-64.7-178.4177.3175-0109.5I76I76-R85 HydrophobicContact CG2-CB 3.86Å; I76-R85 HydrophobicContact CG2-CG 4.28Å
86F91.1Very high90.9Very high22 Ų2277.3 Ų77.310%0.09640%0.397CS..  trans-115.6145.6-178.7-59-74.5000110.8I77 C79 I84 Q91 A92 H95I77-F86 PolarHBondContact O-N 3.39Å; C79-F86 HydrophobicContact CB-CE2 4.24Å; I84-F86 HydrophobicContact CB-CE1 4.48Å; I84-F86 HydrophobicContact CB-CE2 4.09Å; I84-F86 HydrophobicContact CB-CZ 3.77Å; I84-F86 HydrophobicContact CG2-CD1 4.3Å; I84-F86 HydrophobicContact CG2-CE1 3.57Å; I84-F86 HydrophobicContact CG2-CE2 3.95Å; I84-F86 HydrophobicContact CG2-CZ 3.34Å; F86-Q91 HydrophobicContact CB-CB 4.26Å; F86-Q91 HydrophobicContact CD1-CB 3.73Å; F86-Q91 HydrophobicContact CG-CB 4.27Å; F86-A92 HydrophobicContact CB-CB 4.09Å; F86-A92 HydrophobicContact CD2-CB 3.67Å; F86-A92 HydrophobicContact CE2-CB 4.42Å; F86-A92 HydrophobicContact CG-CB 3.98Å; F86-H95 HydrophobicContact CE1-CB 3.94Å; F86-H95 HydrophobicContact CE2-CB 3.84Å; F86-H95 AromaticContact CE2-CD2 3.94Å; F86-H95 AromaticContact CE2-CG 3.81Å; F86-H95 HydrophobicContact CZ-CB 3.33Å; F86-H95 AromaticContact CZ-CD2 3.88Å; F86-H95 AromaticContact CZ-CG 3.32Å; F86-H95 AromaticContact CZ-ND1 3.68Å
87N87.4Confident91.9Very high102 Ų10279.8 Ų79.855%0.54540%0.403SS..SBendtrans-91.8-13.3175.7-166.6-97.8000112.8
88S89.6Confident92.3Very high44 Ų4478.4 Ų78.431%0.30840%0.402SS..SBendtrans-134.1142.8-179.7-175.70000110.3S90 Q91 A92S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.29Å; S88-S90 PolarHBondContact OG-N 2.97Å; S88-S90 PolarHBondContact OG-OG 2.86Å; S88-Q91 PolarHBondContact O-N 3.04Å; S88-A92 PolarHBondContact O-N 3.29Å
89E91Very high92.5Very high137 Ų13780.9 Ų80.964%0.6441%0.411SS*.Hα-helixtrans-57-45.9172.5-177.9166.7-145.300111.8I77 Q91 A92 E93I77-E89 HydrophobicContact CD1-CB 3.77Å; I77-E89 HydrophobicContact CD1-CG 4.05Å; E89-Q91 PolarHBondContact O-N 3.4Å; E89-Q91 VanDerWaalsContact O-N 3.16Å; E89-A92 CarbonylContact O-C 3.58Å; E89-A92 WeakPolarHBondContact O-CA 3.47Å; E89-A92 WeakPolarHBondContact O-CB 3.36Å; E89-A92 PolarHBondContact O-N 2.86Å; E89-E93 HydrophobicContact CG-CG 4.46Å; E89-E93 PolarHBondContact O-N 3.13Å
90S92.4Very high92.4Very high73 Ų7390.5 Ų90.551%0.5145%0.447SS..Hα-helixtrans-57-32.4176.857.40000114S88 A94S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.29Å; S88-S90 PolarHBondContact OG-N 2.97Å; S88-S90 PolarHBondContact OG-OG 2.86Å; S90-A94 VanDerWaalsContact O-CB 3.31Å; S90-A94 WeakPolarHBondContact O-CB 3.48Å; S90-A94 PolarHBondContact O-N 3.05Å; S90-A94 VanDerWaalsContact O-N 3.1Å
91Q90.3Very high92.6Very high108 Ų10884.9 Ų84.951%0.50542%0.416SS..Hα-helixtrans-74.4-36.7174-69.2-17816.700112.1F86 S88 E89 H95F86-Q91 HydrophobicContact CB-CB 4.26Å; F86-Q91 HydrophobicContact CD1-CB 3.73Å; F86-Q91 HydrophobicContact CG-CB 4.27Å; S88-Q91 PolarHBondContact O-N 3.04Å; E89-Q91 PolarHBondContact O-N 3.4Å; E89-Q91 VanDerWaalsContact O-N 3.16Å; Q91-H95 WeakPolarHBondContact O-CB 3.15Å; Q91-H95 PolarHBondContact O-N 3.08Å
92A93.9Very high92.7Very high3 Ų385.1 Ų85.13%0.02542%0.423CS..Hα-helixtrans-67.1-44.8175.300000111.1I77 F86 S88 E89 H95 Y96I77-A92 HydrophobicContact CB-CB 3.96Å; I77-A92 HydrophobicContact CD1-CB 4.49Å; I77-A92 HydrophobicContact CG2-CB 3.44Å; I77-A92 VanDerWaalsContact CG2-CB 3.44Å; F86-A92 HydrophobicContact CB-CB 4.09Å; F86-A92 HydrophobicContact CD2-CB 3.67Å; F86-A92 HydrophobicContact CE2-CB 4.42Å; F86-A92 HydrophobicContact CG-CB 3.98Å; S88-A92 PolarHBondContact O-N 3.29Å; E89-A92 CarbonylContact O-C 3.58Å; E89-A92 WeakPolarHBondContact O-CA 3.47Å; E89-A92 WeakPolarHBondContact O-CB 3.36Å; E89-A92 PolarHBondContact O-N 2.86Å; A92-H95 WeakPolarHBondContact O-CB 3.47Å; A92-H95 PolarHBondContact O-N 3.22Å; A92-H95 VanDerWaalsContact O-N 3.15Å; A92-Y96 HydrophobicContact CB-CD2 4.42Å; A92-Y96 HydrophobicContact CB-CE2 4.13Å; A92-Y96 WeakPolarHBondContact O-CD2 3.11Å; A92-Y96 PolarHBondContact O-N 2.81Å
93E93.9Very high92.9Very high91 Ų9193 Ų9343%0.42545%0.451SS..Hα-helixtrans-59-48.9174.8-72.5-158.29400112.6E89 H95 Y96 K97E89-E93 HydrophobicContact CG-CG 4.46Å; E89-E93 PolarHBondContact O-N 3.13Å; E93-H95 PolarHBondContact O-N 2.65Å; E93-Y96 PolarHBondContact O-N 3.11Å; E93-K97 WeakPolarHBondContact O-CB 3.5Å; E93-K97 WeakPolarHBondContact O-CG 3.37Å; E93-K97 PolarHBondContact O-N 3.35Å; E93-K97 IonicContact OE1-NZ 2.8Å; E93-K97 PolarHBondContact OE1-NZ 3.35Å
94A95.2Very high92.9Very high68 Ų6890.4 Ų90.456%0.56243%0.434SS*.Hα-helixtrans-61.1-31.7176.300000112S90 G98S90-A94 VanDerWaalsContact O-CB 3.31Å; S90-A94 WeakPolarHBondContact O-CB 3.48Å; S90-A94 PolarHBondContact O-N 3.05Å; S90-A94 VanDerWaalsContact O-N 3.1Å; A94-G98 PolarHBondContact O-N 2.99Å
95H95.6Very high93Very high23 Ų2389 Ų8911%0.10643%0.428CS..Hα-helixtrans-68.7-50.6172.117780.1000112.5C79 C82 F86 Q91 A92 E93 K97 G98 H101C79-H95 PolarHBondContact SG-NE2 2.97Å; C82-H95 WeakPolarHBondContact CB-NE2 3.33Å; C82-H95 PolarHBondContact SG-CE1 2.86Å; C82-H95 PolarHBondContact SG-NE2 3.38Å; F86-H95 HydrophobicContact CE1-CB 3.94Å; F86-H95 HydrophobicContact CE2-CB 3.84Å; F86-H95 AromaticContact CE2-CD2 3.94Å; F86-H95 AromaticContact CE2-CG 3.81Å; F86-H95 HydrophobicContact CZ-CB 3.33Å; F86-H95 AromaticContact CZ-CD2 3.88Å; F86-H95 AromaticContact CZ-CG 3.32Å; F86-H95 AromaticContact CZ-ND1 3.68Å; Q91-H95 WeakPolarHBondContact O-CB 3.15Å; Q91-H95 PolarHBondContact O-N 3.08Å; A92-H95 WeakPolarHBondContact O-CB 3.47Å; A92-H95 PolarHBondContact O-N 3.22Å; A92-H95 VanDerWaalsContact O-N 3.15Å; E93-H95 PolarHBondContact O-N 2.65Å; H95-K97 PolarHBondContact O-N 3.32Å; H95-G98 WeakPolarHBondContact O-CA 3.49Å; H95-G98 PolarHBondContact O-N 3.49Å; H95-H101 AromaticContact CD2-ND1 3.97Å; H95-H101 AromaticContact NE2-CG 3.89Å; H95-H101 AromaticContact NE2-ND1 3.44Å; H95-H101 PolarHBondContact NE2-ND1 3.14Å; H95-H101 WeakPolarHBondContact O-CB 3.26Å
96Y95.3Very high93Very high94 Ų9486.8 Ų86.837%0.36942%0.424SS..Hα-helixtrans-63.5-40.5-178-71.3-57.4000112.2I77 S78 C79 A92 E93 G98 H101I77-Y96 HydrophobicContact CG2-CE2 4.37Å; S78-Y96 PolarHBondContact O-OH 2.89Å; C79-Y96 WeakPolarHBondContact CA-OH 3.32Å; C79-Y96 HydrophobicContact CB-CE1 3.73Å; A92-Y96 HydrophobicContact CB-CD2 4.42Å; A92-Y96 HydrophobicContact CB-CE2 4.13Å; A92-Y96 WeakPolarHBondContact O-CD2 3.11Å; A92-Y96 PolarHBondContact O-N 2.81Å; E93-Y96 PolarHBondContact O-N 3.11Å; Y96-G98 PolarHBondContact O-N 3.04Å; Y96-H101 AromaticContact CD1-CE1 3.79Å; Y96-H101 AromaticContact CD1-NE2 3.62Å; Y96-H101 PolarHBondContact O-CD2 3.03Å
97K94.8Very high93Very high164 Ų16487.4 Ų87.471%0.71344%0.437SS*.THydrogen-bonded Turntrans-75.2-5.3173.8-64.2167.4-178.2161.90112.7E93 H95E93-K97 WeakPolarHBondContact O-CB 3.5Å; E93-K97 WeakPolarHBondContact O-CG 3.37Å; E93-K97 PolarHBondContact O-N 3.35Å; E93-K97 IonicContact OE1-NZ 2.8Å; E93-K97 PolarHBondContact OE1-NZ 3.35Å; H95-K97 PolarHBondContact O-N 3.32Å
98G95.6Very high92.9Very high21 Ų2186.3 Ų86.322%0.21643%0.43CS..SBendtrans-83.1139-174.600000114.8A94 H95 Y96 R100 H101 A102A94-G98 PolarHBondContact O-N 2.99Å; H95-G98 WeakPolarHBondContact O-CA 3.49Å; H95-G98 PolarHBondContact O-N 3.49Å; Y96-G98 PolarHBondContact O-N 3.04Å; G98-R100 PolarHBondContact O-N 2.91Å; G98-H101 PolarHBondContact O-N 3Å; G98-A102 PolarHBondContact O-N 3.16Å
99N95.5Very high92.5Very high102 Ų10289.6 Ų89.655%0.54544%0.44SS..Hα-helixtrans-55.1-27.4179.6-159.7-18.1000113.4R103N99-R103 PolarHBondContact ND2-NH2 3.39Å; N99-R103 WeakPolarHBondContact O-CB 3.4Å; N99-R103 VanDerWaalsContact O-CG 3.23Å; N99-R103 WeakPolarHBondContact O-CG 3.06Å; N99-R103 PolarHBondContact O-N 3.15Å; N99-R103 VanDerWaalsContact O-N 3.14Å; N99-R103 PolarHBondContact OD1-NE 2.84Å
100R91.5Very high91.6Very high203 Ų20387.6 Ų87.677%0.76644%0.437SS*.Hα-helixtrans-66.6-40.4174.6-173.8-177.9-69.7-141.22.4112.5G98 R104G98-R100 PolarHBondContact O-N 2.91Å; R100-R104 PolarHBondContact O-N 3.01Å
101H95.6Very high90.6Very high24 Ų2487.4 Ų87.411%0.11144%0.436CS..Hα-helixtrans-71.2-50.8177.5179.774.3000110.2C79 H95 Y96 G98 R103 R104 V105C79-H101 PolarHBondContact SG-CE1 3.22Å; C79-H101 PolarHBondContact SG-ND1 2.96Å; H95-H101 AromaticContact CD2-ND1 3.97Å; H95-H101 AromaticContact NE2-CG 3.89Å; H95-H101 AromaticContact NE2-ND1 3.44Å; H95-H101 PolarHBondContact NE2-ND1 3.14Å; H95-H101 WeakPolarHBondContact O-CB 3.26Å; Y96-H101 AromaticContact CD1-CE1 3.79Å; Y96-H101 AromaticContact CD1-NE2 3.62Å; Y96-H101 PolarHBondContact O-CD2 3.03Å; G98-H101 PolarHBondContact O-N 3Å; H101-R103 VanDerWaalsContact C-N 3.32Å; H101-R103 PolarHBondContact O-N 2.97Å; H101-R104 WeakPolarHBondContact O-CA 3.48Å; H101-R104 PolarHBondContact O-N 3.45Å; H101-V105 WeakPolarHBondContact NE2-CG2 3.2Å; H101-V105 WeakPolarHBondContact O-CG2 3.05Å; H101-V105 PolarHBondContact O-N 3.44Å
102A94.4Very high89.6Confident53 Ų5389.8 Ų89.844%0.43845%0.445SS..Hα-helixtrans-53.3-43.5179.300000113.5G98 R104 V105 K106G98-A102 PolarHBondContact O-N 3.16Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 2.58Å; A102-V105 PolarHBondContact O-N 3.41Å; A102-K106 WeakPolarHBondContact O-CB 3.38Å; A102-K106 PolarHBondContact O-N 3.37Å
103R93.8Very high87.9Confident178 Ų17893.4 Ų93.467%0.67247%0.467SS*.Hα-helixtrans-63.6-35.6175.1-72.1174.4-164.9-1514.4113.2N99 H101 G107N99-R103 PolarHBondContact ND2-NH2 3.39Å; N99-R103 WeakPolarHBondContact O-CB 3.4Å; N99-R103 VanDerWaalsContact O-CG 3.23Å; N99-R103 WeakPolarHBondContact O-CG 3.06Å; N99-R103 PolarHBondContact O-N 3.15Å; N99-R103 VanDerWaalsContact O-N 3.14Å; N99-R103 PolarHBondContact OD1-NE 2.84Å; H101-R103 VanDerWaalsContact C-N 3.32Å; H101-R103 PolarHBondContact O-N 2.97Å; R103-G107 PolarHBondContact O-N 2.9Å; R103-G107 VanDerWaalsContact O-N 3.16Å
104R91.7Very high86.1Confident126 Ų12693.5 Ų93.548%0.47548%0.478SS..Hα-helixtrans-74.9-40.8178.4-171.3172.5-84.5171.3-21.3111.2V81 R100 H101 A102 G107 I108V81-R104 HydrophobicContact CG1-CB 4.1Å; V81-R104 HydrophobicContact CG1-CG 3.72Å; V81-R104 WeakPolarHBondContact O-CD 3.46Å; R100-R104 PolarHBondContact O-N 3.01Å; H101-R104 WeakPolarHBondContact O-CA 3.48Å; H101-R104 PolarHBondContact O-N 3.45Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 2.58Å; R104-G107 PolarHBondContact O-N 2.91Å; R104-I108 PolarHBondContact O-N 3.24Å
105V92.8Very high84.3Confident36 Ų36100.5 Ų100.522%0.21849%0.489CS..Hα-helixtrans-55.3-54.7172.21760000110.2V81 H101 A102 G107 I108 E109V81-V105 HydrophobicContact CG1-CG2 3.99Å; V81-V105 HydrophobicContact CG2-CG2 4.32Å; H101-V105 WeakPolarHBondContact NE2-CG2 3.2Å; H101-V105 WeakPolarHBondContact O-CG2 3.05Å; H101-V105 PolarHBondContact O-N 3.44Å; A102-V105 PolarHBondContact O-N 3.41Å; V105-G107 PolarHBondContact O-N 3.47Å; V105-G107 VanDerWaalsContact O-N 3.14Å; V105-I108 WeakPolarHBondContact O-CG1 3.48Å; V105-I108 PolarHBondContact O-N 3.14Å; V105-E109 HydrophobicContact CG1-CG 4.36Å; V105-E109 WeakPolarHBondContact O-CG 3.23Å; V105-E109 PolarHBondContact O-N 2.82Å
106K91.9Very high82.4Confident151 Ų151106.3 Ų106.366%0.65752%0.52SS*.Hα-helixtrans-61.2-29.5179.7-159.1165.1-172.7170.40113.4A102 T110A102-K106 WeakPolarHBondContact O-CB 3.38Å; A102-K106 PolarHBondContact O-N 3.37Å; K106-T110 WeakPolarHBondContact O-CG2 3.47Å; K106-T110 PolarHBondContact O-N 2.76Å; K106-T110 PolarHBondContact O-OG1 3.19Å
107G90.1Very high80.2Confident35 Ų35109.8 Ų109.836%0.36154%0.54SS..Hα-helixtrans-74.4-33.9173.800000114.7R103 R104 V105 T110 S111R103-G107 PolarHBondContact O-N 2.9Å; R103-G107 VanDerWaalsContact O-N 3.16Å; R104-G107 PolarHBondContact O-N 2.91Å; V105-G107 PolarHBondContact O-N 3.47Å; V105-G107 VanDerWaalsContact O-N 3.14Å; G107-T110 WeakPolarHBondContact CA-OG1 3.31Å; G107-T110 PolarHBondContact O-OG1 3.43Å; G107-S111 PolarHBondContact O-N 3.47Å; G107-S111 PolarHBondContact O-OG 3.46Å
108I86.2Confident77.8Confident79 Ų79109.5 Ų109.541%0.40555%0.547SS..Hα-helixtrans-78.3-33.1174.461.8165.9000112.1V81 R104 V105 S111 K112V81-I108 HydrophobicContact CB-CD1 4.49Å; V81-I108 HydrophobicContact CG1-CD1 3.96Å; V81-I108 HydrophobicContact CG2-CD1 3.87Å; R104-I108 PolarHBondContact O-N 3.24Å; V105-I108 WeakPolarHBondContact O-CG1 3.48Å; V105-I108 PolarHBondContact O-N 3.14Å; I108-S111 WeakPolarHBondContact CA-OG 3.44Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 PolarHBondContact O-OG 3.31Å; I108-K112 WeakPolarHBondContact O-CB 3.39Å; I108-K112 PolarHBondContact O-N 3.04Å
109E81.2Confident75.5Confident112 Ų112112.3 Ų112.352%0.52358%0.575SS.*Hα-helixtrans-65.1-48.3176.2-70.2170.4144.200111V105 S111 K112 T113V105-E109 HydrophobicContact CG1-CG 4.36Å; V105-E109 WeakPolarHBondContact O-CG 3.23Å; V105-E109 PolarHBondContact O-N 2.82Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.39Å; E109-K112 PolarHBondContact O-N 3.45Å; E109-T113 PolarHBondContact O-N 3.33Å; E109-T113 PolarHBondContact O-OG1 2.85Å
110T72.8Confident73.3Confident95 Ų95114.1 Ų114.158%0.58359%0.585SS**Hα-helixtrans-62-37177.143.50000113.5K106 G107K106-T110 WeakPolarHBondContact O-CG2 3.47Å; K106-T110 PolarHBondContact O-N 2.76Å; K106-T110 PolarHBondContact O-OG1 3.19Å; G107-T110 WeakPolarHBondContact CA-OG1 3.31Å; G107-T110 PolarHBondContact O-OG1 3.43Å
111S70.4Confident70.6Confident70 Ų70112.1 Ų112.149%0.4958%0.582SS.*Hα-helixtrans-79.5-28.9176.449.90000113.9G107 I108 E109G107-S111 PolarHBondContact O-N 3.47Å; G107-S111 PolarHBondContact O-OG 3.46Å; I108-S111 WeakPolarHBondContact CA-OG 3.44Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 PolarHBondContact O-OG 3.31Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.39Å
112K69.2Low67.7Low157 Ų157119.4 Ų119.468%0.68362%0.616SS**Hα-helixtrans-74.3-35.9175-166.2171.2-177.5-178.50112.1I108 E109 S114 R115I108-K112 WeakPolarHBondContact O-CB 3.39Å; I108-K112 PolarHBondContact O-N 3.04Å; E109-K112 PolarHBondContact O-N 3.45Å; K112-S114 VanDerWaalsContact C-N 3.34Å; K112-S114 PolarHBondContact O-N 3.08Å; K112-R115 PolarHBondContact O-N 3.22Å
113T58.2Low64.8Low80 Ų80125.9 Ų125.949%0.49164%0.637SS.*Hα-helixtrans-65.4-34.8175.2-57.10000112.5E109 R115 L116E109-T113 PolarHBondContact O-N 3.33Å; E109-T113 PolarHBondContact O-OG1 2.85Å; T113-R115 PolarHBondContact O-N 3.37Å; T113-L116 PolarHBondContact O-N 2.96Å
114S56.9Low62.1Low92 Ų92123 Ų12364%0.64364%0.641SS**THydrogen-bonded Turntrans-64.9-16.3175.9-174.20000114.2K112K112-S114 VanDerWaalsContact C-N 3.34Å; K112-S114 PolarHBondContact O-N 3.08Å
115R57Low59.4Low215 Ų215127.4 Ų127.481%0.81166%0.657SS**THydrogen-bonded Turntrans-89.7-5177.8-78.9-73.2-170.9-1780.9113.8K112 T113K112-R115 PolarHBondContact O-N 3.22Å; T113-R115 PolarHBondContact O-N 3.37Å
116L54.9Low56.8Low145 Ų145130.7 Ų130.776%0.75968%0.68SS**SBendtrans-109.92.1-176.8-69.3171.8000114T113T113-L116 PolarHBondContact O-N 2.96Å
117Q49.3Very low54.5Low168 Ų168128.7 Ų128.779%0.78568%0.682SS**SBendtrans-107.60.9174.4-71-175.629.500113.7
118D44.6Very low51.6Low158 Ų158132 Ų13285%0.84570%0.7SS**SBendtrans-102.379.2172.5-159.3-109.5000107.9
119G48.3Very low49.2Very low79 Ų79133.7 Ų133.781%0.81472%0.718SS**  trans179.715.1-169.300000116.8
120D48.2Very low47.4Very low140 Ų140133.6 Ų133.675%0.74973%0.727SS**  trans-123.4140.2173.9-172.1-122.2000110.7
121K36.2Very low45.6Very low162 Ų162134.3 Ų134.370%0.70474%0.736SS**  trans64.896.9179.1-69.8175.8175-179.90119.4
122H33.1Very low44.6Very low177 Ų177136.8 Ų136.882%0.81975%0.751SS**  171.1121.291.6-99.2-77.1000111.6
123Q34.9Very low43.5Very low189 Ų189135.3 Ų135.388%0.88376%0.757SS**  trans-138.8121156.4-160.4-172.741.200109.5
124P35.5Very low42.1Very low117 Ų117134.8 Ų134.876%0.7677%0.768SS**PPolyproline II helixtrans-80138.1173.2-10.827.7000112
125R36.1Very low41Very low218 Ų218138.6 Ų138.682%0.82378%0.78SS**PPolyproline II helixtrans-77.7145.1173.1158-169-83.8-85.510.2111.6
126P37.9Very low39.7Very low105 Ų105134.5 Ų134.568%0.68278%0.779SS**PPolyproline II helixtrans-92.9155.5153.434.4-29.7000112.7
127P43.1Very low39Very low109 Ų109133 Ų13371%0.70878%0.778SS**  trans-98.5-178.7-159.239.3-38.1000116.2
128S29.3Very low38Very low105 Ų105129.7 Ų129.773%0.73477%0.774SS**  trans79.1138.2175.3-44.60000114.9
129S35.7Very low37.4Very low114 Ų114127.6 Ų127.680%0.79777%0.771SS**  cis-154.5177.4-3.8-103.50000109.7
130P44Very low36.7Very low110 Ų110129.8 Ų129.871%0.71477%0.771SS**  trans-103.6144.4-147.237.5-35.9000119.4
131S35.9Very low35.8Very low110 Ų110129.4 Ų129.477%0.76977%0.774SS**  trans61.6166.3135.2-58.70000122.1
132P49.5Very low35.5Very low122 Ų122126.9 Ų126.979%0.79278%0.777SS**  cis-128.4-139.5-46.635.6-14.6000112.2
133P45.9Very low35.3Very low126 Ų126125.7 Ų125.782%0.81878%0.777SS**  -110.2169.6-115.440.8-25.1000116.1
134G27.7Very low35.9Very low69 Ų69121.5 Ų121.571%0.71177%0.766SS**  trans-168.495.6174.100000117.4
135L33.2Very low35.5Very low173 Ų173122.1 Ų122.191%0.90676%0.763SS**  trans55.3121.4140.2-55.2176.3000121.8
136T30.5Very low35.3Very low128 Ų128119.5 Ų119.579%0.78576%0.757SS**  trans-60.2164.7147.145.10000110.7
137P41.4Very low34.8Very low113 Ų113122.6 Ų122.673%0.73476%0.763SS**  cis-156-1714741.6-17.4000119.4
138S28.1Very low34.2Very low100 Ų100125 Ų12570%0.69977%0.769SS**  trans93.496.1148.6-59.20000120.7
139S30.1Very low34.3Very low113 Ų113126.5 Ų126.579%0.7977%0.769SS**  62.4125.4119.1-52.70000121.5
140P34Very low34.7Very low125 Ų125125.6 Ų125.681%0.81276%0.76SS**  trans-94.2151.1171.837.3-32.9000113.4
141T29.1Very low33.9Very low132 Ų132128.1 Ų128.181%0.8176%0.763SS**  trans-143.2115.3164.353.90000112.4
142S30.2Very low33.5Very low110 Ų110128.2 Ų128.277%0.76976%0.763SS**  trans59.4110.4144-53.80000122.1
143D30.3Very low32.6Very low152 Ų152128.3 Ų128.381%0.81377%0.766SS**  12.1168124.2-73.3-78.1000122.4
144P46.7Very low32.3Very low100 Ų100128 Ų12865%0.64976%0.764SS**  cis-141.5159.9-31.436.8-20.6000114.7
145N26.7Very low32.2Very low131 Ų131129.6 Ų129.670%0.70176%0.764SS**  trans-179.3155.2142.1-115.1-69.9000117.4
146K31.5Very low32Very low163 Ų163127.5 Ų127.571%0.70975%0.753SS**  trans46.6114151.7-74.2147.7-169.4-64.30119.4
147Q28.4Very low31.8Very low170 Ų170129.4 Ų129.479%0.79475%0.75SS**  80.6103.268-178.8-172.3-24.900113.4
148D30.2Very low31.2Very low158 Ų158130.8 Ų130.885%0.84575%0.752SS**  -159.5146.3128.7-143.3-156.5000111.9
149D30.6Very low31.3Very low138 Ų138131 Ų13174%0.73875%0.753SS**  trans-100.3-170.7168.6-153.3-138000106.4
150P44.7Very low31.7Very low94 Ų94130.6 Ų130.661%0.6175%0.748SS**  cis-140.4-169.9238.9-16.2000116.8
151Q26.8Very low31.4Very low164 Ų164132.2 Ų132.277%0.76675%0.749SS**  trans92.6104140.8-146.886.5-42.900119.6
152S28.2Very low31.5Very low111 Ų111131.4 Ų131.478%0.77674%0.744SS**  170109.9107.7-72.30000114.8
153C30.8Very low31.7Very low125 Ų125132.4 Ų132.485%0.84575%0.748SS**  trans-80.8169148.2-62.40000108.3
154P39.3Very low31.6Very low120 Ų120129.7 Ų129.778%0.77974%0.74SS**  cis-145.5149.242.937-13.3000117.1
155S25.4Very low31Very low102 Ų102133.1 Ų133.171%0.71375%0.747SS**  68.6130.795.1-157.40000117.8
156L29.9Very low31.5Very low129 Ų129134.4 Ų134.468%0.67575%0.754SS**  150.4136.7119.9-81.2175.8000115.7
157K25.7Very low31.8Very low167 Ų167132.8 Ų132.873%0.72676%0.76SS**  trans68.4150.2147.6-62.1163.2-174.5174.10118
158D27.8Very low32Very low143 Ų143130.3 Ų130.377%0.76576%0.756SS**  cis-151.2166-9.3-128.3-58.3000109.7
159S31.7Very low31.8Very low103 Ų103129.6 Ų129.672%0.7276%0.758SS**  trans-101.3172.4170.3-53.20000109.9
160P37.9Very low31.8Very low105 Ų105130.9 Ų130.968%0.68276%0.759SS**  -161.3179.174.342.6-19.8000117.8
161L28.4Very low31.1Very low160 Ų160135 Ų13584%0.83877%0.772SS**  trans67.8141159.4-50.6-173.2000118.2
162T30.2Very low31.5Very low115 Ų115134 Ų13471%0.70677%0.772SS**  cis-149.8163.8-6.246.80000109.3
163P33.9Very low31.8Very low131 Ų131134.5 Ų134.585%0.85178%0.776SS**  trans-131.9125.3153.734.7-20.5000113.2
164S29.6Very low32.1Very low94 Ų94133 Ų13366%0.65777%0.773SS**  trans-127.9114.6179.3-93.40000113.4
165H33.9Very low31.7Very low173 Ų173134.4 Ų134.480%0.80177%0.774SS**  trans62.3110.8150.9-47.5-63.4000121.1
166L37.2Very low32.2Very low158 Ų158133.3 Ų133.383%0.82777%0.771SS**PPolyproline II helixtrans-94.9152.4140.1-73.883.4000109
167P37.9Very low32.2Very low129 Ų129134.7 Ų134.784%0.83877%0.774SS**PPolyproline II helixtrans-82.3127.2153.631.8-27.8000110.4
168T30.8Very low32.4Very low117 Ų117133.2 Ų133.272%0.71877%0.773SS**PPolyproline II helixtrans-94.3129.1172-67.80000109.6Q170T168-Q170 HydrophobicContact CG2-CG 4.08Å
169T27.5Very low32.6Very low144 Ų144131.2 Ų131.288%0.88377%0.77SS**  trans-110.5103.9158.533.70000109.2
170Q29.5Very low32.6Very low164 Ų164132.9 Ų132.977%0.76678%0.776SS**  trans-76.4149.6164.3-81.2-172.5-4.100110T168T168-Q170 HydrophobicContact CG2-CG 4.08Å
171M30.6Very low32.3Very low180 Ų180131.4 Ų131.489%0.88778%0.78SS**  trans-122.1117.5167.454.5-154.5168.900106.6
172N35.6Very low32.7Very low143 Ų143128.6 Ų128.677%0.76578%0.78SS**  trans-102.4151.4172.6-8725.3000109.7
173S33Very low33.4Very low123 Ų123128.9 Ų128.986%0.8678%0.784SS**  trans-142.2135.5174.7-55.40000109.9
174A38.9Very low33.5Very low94 Ų94130.3 Ų130.378%0.77778%0.783SS**  trans175.7145.1165.400000104.8
175D30.6Very low34.2Very low148 Ų148131.1 Ų131.179%0.79179%0.787SS**  cis-136.6144.118.4-124.6-145.4000108.5
176A36.3Very low34.1Very low80 Ų80128.4 Ų128.466%0.66179%0.787SS**  61.3143.289.100000114
177E30Very low34.3Very low158 Ų158126.1 Ų126.174%0.73878%0.784SS**  cis-166.4143.8-4.5-115.1-81.894.100104.2
178L29.5Very low34.8Very low136 Ų136125.8 Ų125.871%0.71278%0.782SS**  170.7143.790.9-110147.6000110.2
179S31.9Very low34.9Very low100 Ų100125.4 Ų125.470%0.69978%0.784SS**  trans45140.2134.1-84.70000122.5
180V31.8Very low35.5Very low138 Ų138123.1 Ų123.184%0.83677%0.774SS**  cis-153.41544.8-169.20000108.9
181G30.9Very low35.8Very low75 Ų75120.6 Ų120.677%0.77378%0.775SS**  trans100.3118.6141.100000119.2
182A36.3Very low36Very low101 Ų101116.7 Ų116.784%0.83577%0.771SS**  trans-94.8170.2158.100000109.3
183P45.3Very low35.8Very low120 Ų120114.6 Ų114.678%0.77977%0.773SS**  cis-134.1179.612.441-22.3000117
184L35.7Very low36Very low161 Ų161116.6 Ų116.684%0.84377%0.774SS**  trans-48.2150.8163.6-76.3156.8000112.7
185P45.8Very low35.8Very low112 Ų112118.2 Ų118.273%0.72778%0.779SS**  -153175.984.942.9-24.9000118.2
186S30.8Very low35.8Very low115 Ų115115.1 Ų115.180%0.80478%0.782SS**  trans81.9123.1149.8-57.50000121.3
187S41.3Very low35.8Very low110 Ų110116.7 Ų116.777%0.76979%0.788SS**  trans-65.3169.8152.2-45.10000111.3
188P47.9Very low36Very low123 Ų123115 Ų11580%0.79979%0.794SS**  -145.5170.8105.440.6-28.2000115.8
189S33.9Very low36.1Very low108 Ų108112.5 Ų112.576%0.75580%0.801SS**  trans-102.6173.5161-46.80000108.4
190S39.7Very low36.3Very low97 Ų97115.2 Ų115.268%0.67881%0.808SS**  cis-158.2170.420.2-67.60000110.8
191S36.7Very low37.3Very low111 Ų111114 Ų11478%0.77680%0.803SS**  trans68.3150.6135.258.60000123
192A35Very low37.2Very low97 Ų97114.8 Ų114.880%0.80280%0.802SS**  trans71.9150147.800000118.1
193A29.8Very low37Very low100 Ų100114.8 Ų114.883%0.82680%0.802SS**  cis-158.3-177.1-13.800000110.4
194L37.9Very low36.4Very low165 Ų165113.5 Ų113.586%0.86480%0.801SS**  trans-72.6158.8-173.5-61.7153000114.8
195S35.1Very low36.3Very low127 Ų127110.5 Ų110.589%0.88880%0.8SS**  trans122.6129.6136.2-55.40000116.4
196G30.2Very low36Very low83 Ų83113.1 Ų113.186%0.85681%0.807SS**  trans176.5106.4170.500000109.2
197S36.7Very low36.9Very low114 Ų114113.3 Ų113.380%0.79781%0.805SS**  trans-112.5164.5-165.7-176.50000113.2
198S33.9Very low36.5Very low123 Ų123114.6 Ų114.686%0.8680%0.803SS**  trans76126.5155600000119.9
199G30.6Very low36Very low83 Ų83114.2 Ų114.286%0.85680%0.799SS**  trans168.751.6177.200000114.5
200D37.4Very low36.5Very low157 Ų157115 Ų11584%0.8480%0.802SS**  trans-111.1165.4165.1-120-73.8000107.2
201P52.3Low36.9Very low113 Ų113115.1 Ų115.173%0.73480%0.803SS**  cis-138.3176.73.441.5-24.2000116.2
202A29.8Very low37.3Very low90 Ų90115.9 Ų115.974%0.74481%0.805SS**  -179.5125129.300000114.2
203A31.4Very low37.7Very low102 Ų102115.2 Ų115.284%0.84380%0.799SS**  trans29.7135.1141.200000120.3
204A32.8Very low38.3Very low93 Ų93116.5 Ų116.577%0.76980%0.799SS**  cis-175.2161.542.200000113.7
205A32.4Very low38.4Very low98 Ų98113.9 Ų113.981%0.8180%0.795SS**  trans63.1115.414900000121.9
206L41Very low38.9Very low166 Ų166113.3 Ų113.387%0.86979%0.788SS**  trans-81.6165147.6-72.1164000110
207P49.7Very low39.4Very low119 Ų119115.6 Ų115.677%0.77379%0.786SS**  -144.41549532.3-14.1000116.9
208D32.5Very low39.6Very low137 Ų137115.6 Ų115.673%0.73379%0.785SS**  trans8.7146.8131.2-92.6-90.3000120.2
209T38Very low39.9Very low116 Ų116113 Ų11371%0.71278%0.778SS**  cis-167.7-172.8-6.9-0.20000106.2
210P44.2Very low40.5Very low124 Ų124117.7 Ų117.781%0.80578%0.778SS**  cis-128.8-147.5-9.140.9-19.9000113.6
211S48Very low41.4Very low100 Ų100113.4 Ų113.470%0.69976%0.76SS**  trans-92155.5176.2-166.80000113
212P44.5Very low41.8Very low127 Ų127115.6 Ų115.683%0.82576%0.76SS**  -141.1149.598.837.7-24.9000115.1
213A42.7Very low43.5Very low83 Ų83116.5 Ų116.569%0.68675%0.749SS**  trans-80.1154.7162.200000110.1
214P43.3Very low45.1Very low127 Ų127117.5 Ų117.583%0.82574%0.736SS**  -139.2151.474.536.6-21.2000115.3
215S40.5Very low46.7Very low110 Ų110120.1 Ų120.177%0.76973%0.731SS**  trans-68.4163.2164.8-42.90000111
216P45.8Very low48.1Very low115 Ų115116 Ų11675%0.74770%0.697SS**  -149.4160.59039-22.1000116.7
217T40Very low49.4Very low131 Ų131112.3 Ų112.380%0.80467%0.673SS**  trans49.997.9147.8-170.10000120.8
218S41.7Very low50.4Low113 Ų113115.1 Ų115.179%0.7967%0.674SS**  -155.6124.4112.9-172.40000109.2E220S218-E220 PolarHBondContact O-N 3.16Å
219G39Very low52.4Low68 Ų68114 Ų11470%0.70167%0.667SS**  trans-70.9116.4171.200000109.3S221G219-S221 PolarHBondContact O-N 3.15Å
220E42.9Very low54.7Low183 Ų183110.3 Ų110.386%0.85564%0.643SS**  trans-62.288.116652.8-175.598.700109S218S218-E220 PolarHBondContact O-N 3.16Å
221S56.8Low56.9Low67 Ų67108.6 Ų108.647%0.46962%0.621SS.*  trans-60.4144.3-176.7177.70000110G219 E223 E224G219-S221 PolarHBondContact O-N 3.15Å; S221-E223 PolarHBondContact O-N 3.41Å; S221-E223 WeakPolarHBondContact OG-CB 3.43Å; S221-E223 PolarHBondContact OG-N 3Å; S221-E224 PolarHBondContact O-N 2.87Å
222E61.3Low59Low158 Ų158104 Ų10474%0.73859%0.589SS**Hα-helixtrans-47.9-26.4169.4-168.4-177.211800111.8A226E222-A226 VanDerWaalsContact O-CB 3.28Å; E222-A226 WeakPolarHBondContact O-CB 3.25Å; E222-A226 PolarHBondContact O-N 3.21Å
223E65Low61Low110 Ų110100.5 Ų100.551%0.51457%0.567SS.*Hα-helixtrans-66.3-32.7174.8-158.8-174.9128.100114.9S221 A226 K227S221-E223 PolarHBondContact O-N 3.41Å; S221-E223 WeakPolarHBondContact OG-CB 3.43Å; S221-E223 PolarHBondContact OG-N 3Å; E223-A226 PolarHBondContact O-N 3.19Å; E223-K227 WeakPolarHBondContact O-CB 3.49Å; E223-K227 WeakPolarHBondContact O-CD 3.36Å; E223-K227 VanDerWaalsContact O-CG 3.25Å; E223-K227 WeakPolarHBondContact O-CG 2.94Å; E223-K227 PolarHBondContact O-N 3Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 3.77Å; E223-K227 PolarHBondContact OE1-NZ 2.87Å
224E64.6Low63.1Low122 Ų12299 Ų9957%0.5755%0.548SS*.Hα-helixtrans-72.5-43.4175.8-161.3-150.7127.700110.7S221 A226 K227 K228S221-E224 PolarHBondContact O-N 2.87Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.45Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 3.48Å; E224-K227 VanDerWaalsContact O-N 3.12Å; E224-K228 PolarHBondContact O-N 3.36Å
225K65.7Low65.2Low149 Ų14994.4 Ų94.465%0.64852%0.518SS*.Hα-helixtrans-60.2-38.3171.1-170.8174-178.3174.90111.3K228 L229K225-K228 PolarHBondContact O-N 3.44Å; K225-L229 HydrophobicContact CG-CD1 4.07Å; K225-L229 WeakPolarHBondContact O-CB 3.37Å; K225-L229 VanDerWaalsContact O-CG 3.28Å; K225-L229 WeakPolarHBondContact O-CG 3.2Å; K225-L229 PolarHBondContact O-N 3.34Å
226A63.1Low67.5Low12 Ų1296.9 Ų96.910%0.09952%0.515CS..Hα-helixtrans-66.7-38.6173.800000112.5E222 E223 E224 L229 L230 Y231E222-A226 VanDerWaalsContact O-CB 3.28Å; E222-A226 WeakPolarHBondContact O-CB 3.25Å; E222-A226 PolarHBondContact O-N 3.21Å; E223-A226 PolarHBondContact O-N 3.19Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.45Å; A226-L229 CarbonylContact O-C 3.4Å; A226-L229 PolarHBondContact O-N 2.91Å; A226-L230 PolarHBondContact O-N 3.33Å; A226-Y231 WeakPolarHBondContact CB-O 3.37Å; A226-Y231 PolarHBondContact O-N 3.27Å
227K69Low69.4Low87 Ų8794.5 Ų94.538%0.37850%0.498SS..Hα-helixtrans-62.7-43.4171.4-75.8161.3-173.6162.30111.7E223 E224 L229 L230 L242 L245E223-K227 WeakPolarHBondContact O-CB 3.49Å; E223-K227 WeakPolarHBondContact O-CD 3.36Å; E223-K227 VanDerWaalsContact O-CG 3.25Å; E223-K227 WeakPolarHBondContact O-CG 2.94Å; E223-K227 PolarHBondContact O-N 3Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 3.77Å; E223-K227 PolarHBondContact OE1-NZ 2.87Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 3.48Å; E224-K227 VanDerWaalsContact O-N 3.12Å; K227-L229 VanDerWaalsContact C-N 3.32Å; K227-L229 PolarHBondContact O-N 3.01Å; K227-L230 WeakPolarHBondContact O-CD2 3.3Å; K227-L230 PolarHBondContact O-N 3.45Å; K227-L230 VanDerWaalsContact O-N 3.1Å; K227-L242 HydrophobicContact CB-CD2 4.04Å; K227-L242 HydrophobicContact CG-CD2 4.42Å; K227-L245 HydrophobicContact CG-CD2 4.33Å
228K69.1Low71.8Confident179 Ų17991.6 Ų91.678%0.77849%0.487SS*.Hα-helixtrans-65.5-31.9175.4-170.5171.3-176.9171.80113.2E224 K225 L230E224-K228 PolarHBondContact O-N 3.36Å; K225-K228 PolarHBondContact O-N 3.44Å; K228-L230 VanDerWaalsContact C-N 3.34Å
229L74.3Confident74.1Confident114 Ų11488 Ų8860%0.59746%0.46SS*.THydrogen-bonded Turntrans-89.95.4173.4-67.2171.3000113.6K225 A226 K227 Y231K225-L229 HydrophobicContact CG-CD1 4.07Å; K225-L229 WeakPolarHBondContact O-CB 3.37Å; K225-L229 VanDerWaalsContact O-CG 3.28Å; K225-L229 WeakPolarHBondContact O-CG 3.2Å; K225-L229 PolarHBondContact O-N 3.34Å; A226-L229 CarbonylContact O-C 3.4Å; A226-L229 PolarHBondContact O-N 2.91Å; K227-L229 VanDerWaalsContact C-N 3.32Å; K227-L229 PolarHBondContact O-N 3.01Å; L229-Y231 PolarHBondContact O-N 2.99Å; L229-Y231 VanDerWaalsContact O-N 3.15Å
230L87.3Confident76.6Confident38 Ų3891.4 Ų91.420%0.19946%0.463CS..THydrogen-bonded Turntrans51.337.1-179.7-57.4174.5000113.4A226 K227 K228 A238 V239 N240 S241 L242A226-L230 PolarHBondContact O-N 3.33Å; K227-L230 WeakPolarHBondContact O-CD2 3.3Å; K227-L230 PolarHBondContact O-N 3.45Å; K227-L230 VanDerWaalsContact O-N 3.1Å; K228-L230 VanDerWaalsContact C-N 3.34Å; L230-A238 CarbonylContact O-C 3.59Å; L230-A238 WeakPolarHBondContact O-CA 3Å; L230-V239 HydrophobicContact CB-CG2 4.35Å; L230-V239 WeakPolarHBondContact CB-O 3.42Å; L230-V239 WeakPolarHBondContact O-CG2 3.34Å; L230-V239 PolarHBondContact O-N 3.24Å; L230-N240 WeakPolarHBondContact CD1-O 3.48Å; L230-S241 VanDerWaalsContact CD2-C 3.49Å; L230-L242 HydrophobicContact CD2-CB 4.11Å; L230-L242 HydrophobicContact CD2-CD2 3.98Å; L230-L242 HydrophobicContact CD2-CG 3.68Å; L230-L242 VanDerWaalsContact CD2-N 3.26Å
231Y91.1Very high78.8Confident87 Ų8785 Ų8534%0.34144%0.438SS..EExtended strand (participates in β ladder)trans-117.5134.8-168.1179.6-106.6000112.3A226 L229 K236 A238A226-Y231 WeakPolarHBondContact CB-O 3.37Å; A226-Y231 PolarHBondContact O-N 3.27Å; L229-Y231 PolarHBondContact O-N 2.99Å; L229-Y231 VanDerWaalsContact O-N 3.15Å; Y231-K236 WeakPolarHBondContact OH-CA 3.43Å; Y231-K236 WeakPolarHBondContact OH-CB 3.46Å; Y231-A238 HydrophobicContact CD2-CB 4.17Å
232C90.4Very high80.3Confident4 Ų485.9 Ų85.93%0.02744%0.437CS..EExtended strand (participates in β ladder)trans-95.2106.6171.4-1770000110.6L234 C235 K236 V237 L245 H248 H254C232-L234 PolarHBondContact O-N 2.9Å; C232-C235 HydrophobicContact CB-CB 4.33Å; C232-C235 PolarHBondContact O-N 3.41Å; C232-C235 PolarHBondContact SG-N 2.92Å; C232-C235 VanDerWaalsContact SG-N 3.39Å; C232-K236 WeakPolarHBondContact O-CA 3.45Å; C232-K236 PolarHBondContact O-N 3.49Å; C232-V237 PolarHBondContact N-O 2.96Å; C232-V237 PolarHBondContact O-N 3.09Å; C232-L245 HydrophobicContact CB-CD1 3.94Å; C232-H248 PolarHBondContact SG-NE2 3.1Å; C232-H248 VanDerWaalsContact SG-NE2 3.36Å; C232-H254 PolarHBondContact SG-CE1 3.12Å; C232-H254 PolarHBondContact SG-ND1 3.43Å
233S86.8Confident81.7Confident54 Ų5482 Ų8238%0.37843%0.428SS..THydrogen-bonded Turntrans-62.3-29.2176.360.40000113.6
234L87.4Confident82.9Confident52 Ų5281.3 Ų81.327%0.27242%0.424SS..THydrogen-bonded Turntrans-74.4-41.1179.5-64.8-176000113.1C232 L258 R261C232-L234 PolarHBondContact O-N 2.9Å; L234-L258 HydrophobicContact CD1-CB 4.01Å; L234-L258 HydrophobicContact CD1-CD1 3.79Å; L234-L258 HydrophobicContact CD1-CG 3.85Å; L234-R261 PolarHBondContact O-NH1 3.11Å
235C86.8Confident84.2Confident30 Ų3075.7 Ų75.720%0.20340%0.398CS..THydrogen-bonded Turntrans-99.8-9.3-178.2-63.90000113.9C232 V237 H248C232-C235 HydrophobicContact CB-CB 4.33Å; C232-C235 PolarHBondContact O-N 3.41Å; C232-C235 PolarHBondContact SG-N 2.92Å; C232-C235 VanDerWaalsContact SG-N 3.39Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 HydrophobicContact CB-CG2 4.24Å; C235-V237 PolarHBondContact O-N 3.35Å; C235-H248 WeakPolarHBondContact CB-NE2 3.5Å; C235-H248 PolarHBondContact SG-NE2 3.04Å; C235-H248 VanDerWaalsContact SG-NE2 3.4Å
236K89.1Confident85.3Confident161 Ų16173.3 Ų73.370%0.739%0.389SS*.THydrogen-bonded Turntrans57.433.4-173.3-56.8-171.8177.8-173.80115Y231 C232Y231-K236 WeakPolarHBondContact OH-CA 3.43Å; Y231-K236 WeakPolarHBondContact OH-CB 3.46Å; C232-K236 WeakPolarHBondContact O-CA 3.45Å; C232-K236 PolarHBondContact O-N 3.49Å
237V86.9Confident86.8Confident66 Ų6675.8 Ų75.840%0.441%0.41SS..EExtended strand (participates in β ladder)trans-110.6129.8-179.8-1790000109.8C232 C235 V239C232-V237 PolarHBondContact N-O 2.96Å; C232-V237 PolarHBondContact O-N 3.09Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 HydrophobicContact CB-CG2 4.24Å; C235-V237 PolarHBondContact O-N 3.35Å; V237-V239 HydrophobicContact CG1-CG1 4.1Å
238A89.9Confident87.9Confident69 Ų6973.8 Ų73.857%0.5740%0.401SS*.EExtended strand (participates in β ladder)trans-91142163.700000109.7L230 Y231L230-A238 CarbonylContact O-C 3.59Å; L230-A238 WeakPolarHBondContact O-CA 3Å; Y231-A238 HydrophobicContact CD2-CB 4.17Å
239V89.8Confident88.9Confident37 Ų3767.9 Ų67.922%0.22438%0.378CS..  trans-126.7169.7178.1-64.10000110.5L230 V237 Q244 L245L230-V239 HydrophobicContact CB-CG2 4.35Å; L230-V239 WeakPolarHBondContact CB-O 3.42Å; L230-V239 WeakPolarHBondContact O-CG2 3.34Å; L230-V239 PolarHBondContact O-N 3.24Å; V237-V239 HydrophobicContact CG1-CG1 4.1Å; V239-Q244 HydrophobicContact CB-CB 4Å; V239-Q244 HydrophobicContact CG2-CB 4.02Å; V239-L245 HydrophobicContact CG2-CB 3.64Å; V239-L245 HydrophobicContact CG2-CD1 4.11Å; V239-L245 HydrophobicContact CG2-CG 4.46Å
240N90.3Very high89.7Confident141 Ų14169.8 Ų69.875%0.75438%0.382SS*.SBendtrans-92.6-15.7-166.9-169.6-89000114L230L230-N240 WeakPolarHBondContact CD1-O 3.48Å
241S89.8Confident89.9Confident49 Ų4969.2 Ų69.234%0.34339%0.385SS..SBendtrans-144.8154.8177.2-174.30000112.7L230 S243 Q244 L245L230-S241 VanDerWaalsContact CD2-C 3.49Å; S241-S243 PolarHBondContact O-N 3.22Å; S241-S243 PolarHBondContact OG-OG 2.92Å; S241-Q244 WeakPolarHBondContact O-CB 3.4Å; S241-Q244 PolarHBondContact O-N 3.21Å; S241-L245 PolarHBondContact O-N 3.3Å; S241-L245 VanDerWaalsContact O-N 3.09Å
242L89.4Confident89.8Confident85 Ų8570.4 Ų70.445%0.44540%0.402SS..Hα-helixtrans-58.7-38.7177.9-97.6177.5000111.5K227 L230 Q244 L245 E246K227-L242 HydrophobicContact CB-CD2 4.04Å; K227-L242 HydrophobicContact CG-CD2 4.42Å; L230-L242 HydrophobicContact CD2-CB 4.11Å; L230-L242 HydrophobicContact CD2-CD2 3.98Å; L230-L242 HydrophobicContact CD2-CG 3.68Å; L230-L242 VanDerWaalsContact CD2-N 3.26Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 2.89Å; L242-L245 HydrophobicContact CD2-CD2 4.5Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 PolarHBondContact O-N 2.82Å; L242-E246 PolarHBondContact O-N 2.93Å
243S90.2Very high89.6Confident77 Ų7778.6 Ų78.654%0.53844%0.437SS..Hα-helixtrans-61.8-34.6175.759.30000112.5S241 A247S241-S243 PolarHBondContact O-N 3.22Å; S241-S243 PolarHBondContact OG-OG 2.92Å; S243-A247 VanDerWaalsContact O-CB 3.27Å; S243-A247 WeakPolarHBondContact O-CB 3.39Å; S243-A247 PolarHBondContact O-N 2.84Å
244Q89.3Confident89.8Confident94 Ų9476.6 Ų76.644%0.43942%0.421SS..Hα-helixtrans-70.8-35.5173.3-65176.3-1.600111.7V239 S241 L242 H248V239-Q244 HydrophobicContact CB-CB 4Å; V239-Q244 HydrophobicContact CG2-CB 4.02Å; S241-Q244 WeakPolarHBondContact O-CB 3.4Å; S241-Q244 PolarHBondContact O-N 3.21Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 2.89Å; Q244-H248 WeakPolarHBondContact O-CB 3.21Å; Q244-H248 PolarHBondContact O-N 3.15Å
245L91.9Very high89.9Confident4 Ų479.7 Ų79.72%0.02143%0.433CS..Hα-helixtrans-69.3-41.6176.9-174.764.9000110.5K227 C232 V239 S241 L242 H248 N249K227-L245 HydrophobicContact CG-CD2 4.33Å; C232-L245 HydrophobicContact CB-CD1 3.94Å; V239-L245 HydrophobicContact CG2-CB 3.64Å; V239-L245 HydrophobicContact CG2-CD1 4.11Å; V239-L245 HydrophobicContact CG2-CG 4.46Å; S241-L245 PolarHBondContact O-N 3.3Å; S241-L245 VanDerWaalsContact O-N 3.09Å; L242-L245 HydrophobicContact CD2-CD2 4.5Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 PolarHBondContact O-N 2.82Å; L245-H248 WeakPolarHBondContact O-CB 3.4Å; L245-H248 PolarHBondContact O-N 2.93Å; L245-N249 WeakPolarHBondContact O-CB 3.11Å; L245-N249 PolarHBondContact O-N 3.44Å; L245-N249 PolarHBondContact O-ND2 3.4Å
246E90.3Very high89.9Confident99 Ų9981.8 Ų81.846%0.46345%0.445SS..Hα-helixtrans-63.3-45173.5-78-164.5-142.600112.8L242 H248 N249 K250L242-E246 PolarHBondContact O-N 2.93Å; E246-H248 VanDerWaalsContact C-N 3.31Å; E246-H248 PolarHBondContact O-N 3.24Å; E246-N249 PolarHBondContact O-N 3.33Å; E246-K250 WeakPolarHBondContact O-CB 3.45Å; E246-K250 WeakPolarHBondContact O-CE 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.3Å; E246-K250 WeakPolarHBondContact O-CG 3.39Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 IonicContact OE2-NZ 2.58Å; E246-K250 PolarHBondContact OE2-NZ 3.23Å
247A92.9Very high89.8Confident64 Ų6477.3 Ų77.353%0.52943%0.428SS..Hα-helixtrans-63.7-37.8174.700000111.7S243 G251S243-A247 VanDerWaalsContact O-CB 3.27Å; S243-A247 WeakPolarHBondContact O-CB 3.39Å; S243-A247 PolarHBondContact O-N 2.84Å; A247-G251 PolarHBondContact O-N 3.32Å
248H93.4Very high89.8Confident45 Ų4577.3 Ų77.321%0.20843%0.425CS..Hα-helixtrans-61.8-50.6172.7172.791.3000111.4C232 C235 Q244 L245 E246 K250 G251 H254C232-H248 PolarHBondContact SG-NE2 3.1Å; C232-H248 VanDerWaalsContact SG-NE2 3.36Å; C235-H248 WeakPolarHBondContact CB-NE2 3.5Å; C235-H248 PolarHBondContact SG-NE2 3.04Å; C235-H248 VanDerWaalsContact SG-NE2 3.4Å; Q244-H248 WeakPolarHBondContact O-CB 3.21Å; Q244-H248 PolarHBondContact O-N 3.15Å; L245-H248 WeakPolarHBondContact O-CB 3.4Å; L245-H248 PolarHBondContact O-N 2.93Å; E246-H248 VanDerWaalsContact C-N 3.31Å; E246-H248 PolarHBondContact O-N 3.24Å; H248-K250 VanDerWaalsContact C-N 3.33Å; H248-K250 PolarHBondContact O-N 3.47Å; H248-G251 PolarHBondContact O-N 3.39Å; H248-H254 AromaticContact CD2-ND1 3.47Å; H248-H254 PolarHBondContact CD2-ND1 3.01Å; H248-H254 AromaticContact NE2-ND1 3.33Å; H248-H254 PolarHBondContact NE2-ND1 2.77Å; H248-H254 WeakPolarHBondContact O-CB 3.28Å
249N90.3Very high89.4Confident55 Ų5579.3 Ų79.329%0.29442%0.423SS..Hα-helixtrans-63.2-37.4-179.3-69.1-16.1000112.2L245 E246 G251 H254L245-N249 WeakPolarHBondContact O-CB 3.11Å; L245-N249 PolarHBondContact O-N 3.44Å; L245-N249 PolarHBondContact O-ND2 3.4Å; E246-N249 PolarHBondContact O-N 3.33Å; N249-G251 VanDerWaalsContact C-N 3.26Å; N249-G251 PolarHBondContact O-N 3.41Å; N249-H254 PolarHBondContact O-CD2 3.05Å; N249-H254 VanDerWaalsContact O-CD2 3.24Å; N249-H254 PolarHBondContact OD1-CE1 3.36Å; N249-H254 PolarHBondContact OD1-ND1 2.93Å
250K90.6Very high88.9Confident154 Ų15481.7 Ų81.767%0.6745%0.446SS*.Hα-helixtrans-74.7-12.4173.6-68.6179.3-107-92.10113.1E246 H248E246-K250 WeakPolarHBondContact O-CB 3.45Å; E246-K250 WeakPolarHBondContact O-CE 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.3Å; E246-K250 WeakPolarHBondContact O-CG 3.39Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 IonicContact OE2-NZ 2.58Å; E246-K250 PolarHBondContact OE2-NZ 3.23Å; H248-K250 VanDerWaalsContact C-N 3.33Å; H248-K250 PolarHBondContact O-N 3.47Å
251G91.4Very high88.1Confident26 Ų2682.2 Ų82.227%0.26844%0.437SS..SBendtrans-76.8146.9-175.700000114.3A247 H248 N249 K253 H254 K255A247-G251 PolarHBondContact O-N 3.32Å; H248-G251 PolarHBondContact O-N 3.39Å; N249-G251 VanDerWaalsContact C-N 3.26Å; N249-G251 PolarHBondContact O-N 3.41Å; G251-K253 PolarHBondContact O-N 3.46Å; G251-K253 VanDerWaalsContact O-N 3.11Å; G251-H254 PolarHBondContact O-N 2.99Å; G251-H254 VanDerWaalsContact O-N 3.09Å; G251-K255 PolarHBondContact O-N 2.85Å
252T89.3Confident87.5Confident112 Ų11283.2 Ų83.269%0.68745%0.445SS*.Hα-helixtrans-53.1-38.4-176.4-40.60000113.5K255 T256T252-K255 PolarHBondContact O-N 3.27Å; T252-T256 HydrophobicContact CG2-CG2 4.47Å; T252-T256 WeakPolarHBondContact O-CG2 3.13Å; T252-T256 PolarHBondContact O-N 3.3Å; T252-T256 PolarHBondContact O-OG1 2.9Å; T252-T256 VanDerWaalsContact O-OG1 3.12Å
253K86.4Confident86.3Confident176 Ų17681.8 Ų81.877%0.76545%0.451SS*.Hα-helixtrans-61.4-51179.1-64.4178.8-178.4176.30111.2G251 T256 I257G251-K253 PolarHBondContact O-N 3.46Å; G251-K253 VanDerWaalsContact O-N 3.11Å; K253-T256 PolarHBondContact O-N 3.05Å; K253-T256 PolarHBondContact O-OG1 3.29Å; K253-I257 WeakPolarHBondContact O-CG1 3.42Å; K253-I257 PolarHBondContact O-N 2.88Å
254H91.2Very high84.5Confident12 Ų1286.9 Ų86.96%0.05647%0.471CS..Hα-helixtrans-62.3-47.5176.5-178.3106.8000110.8C232 H248 N249 G251 T256 I257 L258C232-H254 PolarHBondContact SG-CE1 3.12Å; C232-H254 PolarHBondContact SG-ND1 3.43Å; H248-H254 AromaticContact CD2-ND1 3.47Å; H248-H254 PolarHBondContact CD2-ND1 3.01Å; H248-H254 AromaticContact NE2-ND1 3.33Å; H248-H254 PolarHBondContact NE2-ND1 2.77Å; H248-H254 WeakPolarHBondContact O-CB 3.28Å; N249-H254 PolarHBondContact O-CD2 3.05Å; N249-H254 VanDerWaalsContact O-CD2 3.24Å; N249-H254 PolarHBondContact OD1-CE1 3.36Å; N249-H254 PolarHBondContact OD1-ND1 2.93Å; G251-H254 PolarHBondContact O-N 2.99Å; G251-H254 VanDerWaalsContact O-N 3.09Å; H254-T256 PolarHBondContact O-N 3.39Å; H254-I257 PolarHBondContact O-N 2.84Å; H254-I257 VanDerWaalsContact O-N 3.08Å; H254-L258 WeakPolarHBondContact O-CB 3.39Å; H254-L258 PolarHBondContact O-N 2.65Å
255K89.4Confident82.8Confident117 Ų11784.8 Ų84.851%0.50947%0.474SS..Hα-helixtrans-54.3-48.4178.5-173.7177.5171.51780112.2G251 T252 I257 L258 E259G251-K255 PolarHBondContact O-N 2.85Å; T252-K255 PolarHBondContact O-N 3.27Å; K255-I257 VanDerWaalsContact C-N 3.32Å; K255-I257 PolarHBondContact O-N 2.8Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 2.77Å; K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 HydrophobicContact CG-CG 4.37Å; K255-E259 IonicContact NZ-OE1 2.84Å; K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 WeakPolarHBondContact O-CG 3.49Å; K255-E259 PolarHBondContact O-N 3.18Å
256T87.3Confident80.9Confident74 Ų7490.8 Ų90.845%0.45451%0.514SS..Hα-helixtrans-64.7-32.417854.40000113.9T252 K253 H254 A260T252-T256 HydrophobicContact CG2-CG2 4.47Å; T252-T256 WeakPolarHBondContact O-CG2 3.13Å; T252-T256 PolarHBondContact O-N 3.3Å; T252-T256 PolarHBondContact O-OG1 2.9Å; T252-T256 VanDerWaalsContact O-OG1 3.12Å; K253-T256 PolarHBondContact O-N 3.05Å; K253-T256 PolarHBondContact O-OG1 3.29Å; H254-T256 PolarHBondContact O-N 3.39Å; T256-A260 VanDerWaalsContact O-CB 3.25Å; T256-A260 WeakPolarHBondContact O-CB 3.21Å; T256-A260 PolarHBondContact O-N 2.84Å
257I85.9Confident78.8Confident67 Ų6793.1 Ų93.134%0.34453%0.528SS..Hα-helixtrans-73.4-36.4176.3-69.3166.3000110.6K253 H254 K255 R261K253-I257 WeakPolarHBondContact O-CG1 3.42Å; K253-I257 PolarHBondContact O-N 2.88Å; H254-I257 PolarHBondContact O-N 2.84Å; H254-I257 VanDerWaalsContact O-N 3.08Å; K255-I257 VanDerWaalsContact C-N 3.32Å; K255-I257 PolarHBondContact O-N 2.8Å; I257-R261 WeakPolarHBondContact O-CB 3.27Å; I257-R261 PolarHBondContact O-N 3.01Å; I257-R261 VanDerWaalsContact O-N 3.16Å
258L86.2Confident76.6Confident67 Ų6799.4 Ų99.435%0.35154%0.543SS..Hα-helixtrans-66.3-51.7174.5-169158.5000110.2L234 H254 K255 A260 R261 S262L234-L258 HydrophobicContact CD1-CB 4.01Å; L234-L258 HydrophobicContact CD1-CD1 3.79Å; L234-L258 HydrophobicContact CD1-CG 3.85Å; H254-L258 WeakPolarHBondContact O-CB 3.39Å; H254-L258 PolarHBondContact O-N 2.65Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 2.77Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.62Å; L258-R261 CarbonylContact O-C 3.56Å; L258-R261 WeakPolarHBondContact O-CA 3.46Å; L258-R261 PolarHBondContact O-N 3.06Å; L258-S262 PolarHBondContact O-N 3.23Å; L258-S262 PolarHBondContact O-OG 3.28Å
259E81.9Confident73.9Confident111 Ų111101.4 Ų101.452%0.51957%0.567SS.*Hα-helixtrans-57.9-40.7176.9-71.8169.9146.700112.2K255 R261K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 HydrophobicContact CG-CG 4.37Å; K255-E259 IonicContact NZ-OE1 2.84Å; K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 WeakPolarHBondContact O-CG 3.49Å; K255-E259 PolarHBondContact O-N 3.18Å; E259-R261 VanDerWaalsContact C-N 3.28Å; E259-R261 PolarHBondContact O-N 3.33Å
260A79.6Confident71.3Confident86 Ų86108.7 Ų108.771%0.71159%0.592SS**Hα-helixtrans-69.1-21.5175.100000114.1T256 L258T256-A260 VanDerWaalsContact O-CB 3.25Å; T256-A260 WeakPolarHBondContact O-CB 3.21Å; T256-A260 PolarHBondContact O-N 2.84Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.62Å
261R74.1Confident69.5Low152 Ų152107.3 Ų107.357%0.57460%0.599SS**Hα-helixtrans-93.8-28.4176.5-86.1179.5137.6171.3-11.9113.7L234 I257 L258 E259 G263L234-R261 PolarHBondContact O-NH1 3.11Å; I257-R261 WeakPolarHBondContact O-CB 3.27Å; I257-R261 PolarHBondContact O-N 3.01Å; I257-R261 VanDerWaalsContact O-N 3.16Å; L258-R261 CarbonylContact O-C 3.56Å; L258-R261 WeakPolarHBondContact O-CA 3.46Å; L258-R261 PolarHBondContact O-N 3.06Å; E259-R261 VanDerWaalsContact C-N 3.28Å; E259-R261 PolarHBondContact O-N 3.33Å; R261-G263 PolarHBondContact O-N 2.99Å; R261-G263 VanDerWaalsContact O-N 3.15Å
262S76.7Confident67.3Low71 Ų71117.5 Ų117.550%0.49763%0.629SS.*SBendtrans-69.6-5-178.4-68.40000114.6L258 L264L258-S262 PolarHBondContact O-N 3.23Å; L258-S262 PolarHBondContact O-OG 3.28Å; S262-L264 VanDerWaalsContact C-N 3.26Å; S262-L264 PolarHBondContact O-N 2.83Å
263G64.6Low65.1Low55 Ų55120.7 Ų120.757%0.56764%0.641SS**  trans699.3154.500000117.4R261 G265R261-G263 PolarHBondContact O-N 2.99Å; R261-G263 VanDerWaalsContact O-N 3.15Å; G263-G265 PolarHBondContact O-N 3.16Å
264L51.6Low62.7Low183 Ų183115.4 Ų115.496%0.95864%0.636SS**  trans-79.751.7175.6-64-179.1000112.3S262S262-L264 VanDerWaalsContact C-N 3.26Å; S262-L264 PolarHBondContact O-N 2.83Å
265G53.8Low60.5Low50 Ų50121 Ų12152%0.51567%0.674SS.*SBendtrans-151.6145.417100000109.1G263 I267G263-G265 PolarHBondContact O-N 3.16Å; G265-I267 PolarHBondContact O-N 3.21Å
266P51.6Low58.3Low131 Ų131124.4 Ų124.485%0.85169%0.689SS**SBendtrans-71.2104.4-173.227.8-32.5000110.7
267I46.3Very low55.9Low147 Ų147126.3 Ų126.375%0.75470%0.702SS**  -178.6115120.6-86.2150.4000110.4G265G265-I267 PolarHBondContact O-N 3.21Å
268K47.3Very low53.7Low197 Ų197127.3 Ų127.386%0.85772%0.715SS**  trans15.3105140.9-147.3152.3-177.3169.40118.3
269A37Very low51.6Low87 Ų87129.6 Ų129.672%0.71973%0.734SS**  trans38.9108.6142.300000119.6
270Y35.9Very low49.5Very low208 Ų208131.4 Ų131.482%0.81674%0.743SS**PPolyproline II helixtrans-77.1127.6151-80-92.9000110.1R272Y270-R272 PolarHBondContact O-N 2.85Å
271P53Low47.6Very low124 Ų124136.4 Ų136.481%0.80575%0.751SS**PPolyproline II helixtrans-60.6130167.5-23.935.3000111.4
272R44.8Very low45.7Very low240 Ų240133.2 Ų133.291%0.90677%0.766SS**PPolyproline II helixtrans-77137.8178.4-154-174-145.6-105.612.7109.3Y270Y270-R272 PolarHBondContact O-N 2.85Å
273L43.5Very low43.5Very low180 Ų180133.8 Ų133.894%0.94278%0.782SS**PPolyproline II helixtrans-76.5123.9175.7-77.4168.9000111.8
274G35.7Very low41.9Very low64 Ų64139.7 Ų139.766%0.6680%0.795SS**  trans90.6154.6164.600000116.3
275P43.8Very low41.3Very low130 Ų130137.7 Ų137.784%0.84479%0.785SS**  cis-113176.3-1.915.78.2000114.3
276K43.4Very low40.6Very low189 Ų189140.5 Ų140.582%0.82280%0.796SS**  trans-72.2137.4-179.1174.1179.3178.6176.90113.2
277P36.7Very low39.9Very low114 Ų114139.9 Ų139.974%0.7480%0.795SS**  trans-118.6134.514234.6-26.1000111.5
278S40.8Very low39.6Very low88 Ų88139.5 Ų139.562%0.61580%0.795SS**  trans-77.6149.5146.542.10000108
279P41.7Very low39.7Very low114 Ų114135.9 Ų135.974%0.7479%0.791SS**  -140.8162.693.834-18.1000114.8
280E38.2Very low40.2Very low150 Ų150138 Ų13870%0.70179%0.791SS**  trans-67.1142.5167.554.4-96.957.200113.7
281Q39.9Very low40.7Very low191 Ų191134.2 Ų134.289%0.89379%0.789SS**  170.8150.6113.4-92168.7-19.300111.2
282G32.7Very low40.5Very low85 Ų85135.3 Ų135.388%0.87678%0.784SS**  trans-91.7169.1-164.400000115.8
283G30.8Very low40.9Very low82 Ų82129.6 Ų129.685%0.84577%0.767SS**  trans-179.5101.3176.700000110.7
284E31.5Very low41.8Very low180 Ų180128.6 Ų128.684%0.84175%0.751SS**  trans-47.8133.8-176-170.5-140.913600116.6
285L39.7Very low43.5Very low140 Ų140129 Ų12973%0.73374%0.741SS**  159.9145.9120.5-175.458.3000112
286S38.1Very low45.3Very low109 Ų109125 Ų12576%0.76271%0.71SS**  trans64.880.5173.570.50000118.9
287S38Very low47.4Very low118 Ų118121 Ų12183%0.82569%0.694SS**  trans-91103.7163-57.40000111.9
288D39.4Very low49.9Very low140 Ų140115.8 Ų115.875%0.74966%0.661SS**  trans-159.676.5130.2-133.8-38.2000114.2N290D288-N290 VanDerWaalsContact C-N 3.3Å; D288-N290 PolarHBondContact O-N 3.49Å; D288-N290 WeakPolarHBondContact OD1-CB 3.49Å
289P49.4Very low52Low120 Ų120117.7 Ų117.778%0.77966%0.66SS**  trans-9230.2171.637.2-34.2000112.8T291P289-T291 PolarHBondContact O-N 3.49Å
290N46.8Very low54Low133 Ų133117 Ų11771%0.71165%0.649SS**THydrogen-bonded Turntrans-97.446.3-168.4-166.420.4000115.3D288D288-N290 VanDerWaalsContact C-N 3.3Å; D288-N290 PolarHBondContact O-N 3.49Å; D288-N290 WeakPolarHBondContact OD1-CB 3.49Å
291T47.2Very low56.3Low127 Ų127112.1 Ų112.178%0.77963%0.63SS**THydrogen-bonded Turntrans-150.339.4159.8-320000113.1P289 E293P289-T291 PolarHBondContact O-N 3.49Å; T291-E293 PolarHBondContact O-N 2.82Å
292Q49.5Very low58.4Low148 Ų148110.1 Ų110.169%0.69263%0.626SS**  trans-80.860.9160.6-154.2-173.53300110.5R294Q292-R294 VanDerWaalsContact C-N 3.27Å; Q292-R294 HydrophobicContact CG-CG 4.04Å; Q292-R294 PolarHBondContact O-N 3.15Å
293E51.7Low60.9Low119 Ų119109 Ų10956%0.55660%0.602SS**  trans-55.2104.9147.7-80-153.7136.200105.5T291 T295 N306T291-E293 PolarHBondContact O-N 2.82Å; E293-T295 PolarHBondContact O-N 3.02Å; E293-N306 PolarHBondContact OE1-ND2 3.49Å; E293-N306 PolarHBondContact OE2-ND2 2.84Å
294R62.1Low63.7Low159 Ų159114.4 Ų114.460%0.660%0.597SS**  trans-69.287.3176.7-64.2-178.6-163116.88.5106.4Q292 F296Q292-R294 VanDerWaalsContact C-N 3.27Å; Q292-R294 HydrophobicContact CG-CG 4.04Å; Q292-R294 PolarHBondContact O-N 3.15Å; R294-F296 VanDerWaalsContact C-N 3.34Å; R294-F296 HydrophobicContact CB-CE1 4.35Å; R294-F296 HydrophobicContact CB-CE2 3.92Å; R294-F296 HydrophobicContact CB-CZ 3.82Å; R294-F296 WeakPolarHBondContact O-CD2 3.25Å; R294-F296 WeakPolarHBondContact O-CE2 3.42Å; R294-F296 WeakPolarHBondContact O-CG 3.46Å; R294-F296 PolarHBondContact O-N 2.85Å
295T72.2Confident66.3Low74 Ų74106.8 Ų106.845%0.45456%0.562SS.*  trans-64.5100.417452.80000107.6E293 H297 V305E293-T295 PolarHBondContact O-N 3.02Å; T295-H297 PolarHBondContact O-N 2.83Å; T295-H297 VanDerWaalsContact O-N 3.14Å; T295-V305 CarbonylContact C-O 3.59Å
296F81.9Confident68.3Low46 Ų46104.5 Ų104.520%0.20255%0.551CS.*EExtended strand (participates in β ladder)trans-69.4110.2-174.9-70.5-82000108.5R294 V305 E308 L311R294-F296 VanDerWaalsContact C-N 3.34Å; R294-F296 HydrophobicContact CB-CE1 4.35Å; R294-F296 HydrophobicContact CB-CE2 3.92Å; R294-F296 HydrophobicContact CB-CZ 3.82Å; R294-F296 WeakPolarHBondContact O-CD2 3.25Å; R294-F296 WeakPolarHBondContact O-CE2 3.42Å; R294-F296 WeakPolarHBondContact O-CG 3.46Å; R294-F296 PolarHBondContact O-N 2.85Å; F296-V305 HydrophobicContact CB-CG2 4.1Å; F296-V305 PolarHBondContact N-O 2.91Å; F296-V305 WeakPolarHBondContact O-CG2 3.3Å; F296-V305 PolarHBondContact O-N 3.44Å; F296-E308 HydrophobicContact CD1-CB 4.16Å; F296-E308 HydrophobicContact CD1-CG 4.03Å; F296-E308 HydrophobicContact CD2-CB 4.07Å; F296-E308 HydrophobicContact CE1-CB 3.7Å; F296-E308 HydrophobicContact CE1-CG 3.55Å; F296-E308 HydrophobicContact CE2-CB 3.62Å; F296-E308 HydrophobicContact CE2-CG 4.41Å; F296-E308 HydrophobicContact CG-CB 4.34Å; F296-E308 HydrophobicContact CZ-CB 3.42Å; F296-E308 VanDerWaalsContact CZ-CB 3.42Å; F296-E308 HydrophobicContact CZ-CG 3.78Å; F296-L311 HydrophobicContact CB-CB 3.7Å; F296-L311 HydrophobicContact CB-CD2 3.73Å; F296-L311 HydrophobicContact CB-CG 4.19Å; F296-L311 HydrophobicContact CD1-CD2 4.25Å; F296-L311 HydrophobicContact CG-CB 4.43Å; F296-L311 HydrophobicContact CG-CD2 4.44Å
297H88.3Confident70.7Confident103 Ų103101.8 Ų101.848%0.47753%0.532SS..EExtended strand (participates in β ladder)trans-96.9141.4-177.570.9-66.8000111.2T295 E299 R304T295-H297 PolarHBondContact O-N 2.83Å; T295-H297 VanDerWaalsContact O-N 3.14Å; H297-E299 WeakPolarHBondContact CD2-CG 3.47Å; H297-E299 IonicContact CD2-OE1 3.65Å; H297-E299 IonicContact CE1-OE1 3.82Å; H297-E299 WeakPolarHBondContact NE2-CG 3.4Å; H297-E299 IonicContact NE2-OE1 2.79Å; H297-E299 PolarHBondContact NE2-OE1 3.5Å; H297-R304 HydrophobicContact CB-CG 4.2Å
298C88.4Confident73Confident6 Ų6100.3 Ų100.34%0.04151%0.512CS..EExtended strand (participates in β ladder)trans-103.9109.2167.1-179.60000108.9C301 N302 V303 L311 H314 H320C298-C301 HydrophobicContact CB-CB 4.49Å; C298-C301 PolarHBondContact O-N 3.34Å; C298-N302 WeakPolarHBondContact O-CA 2.99Å; C298-N302 PolarHBondContact O-N 3.12Å; C298-V303 PolarHBondContact N-O 3.37Å; C298-V303 PolarHBondContact O-N 3.34Å; C298-L311 HydrophobicContact CB-CD1 3.78Å; C298-H314 PolarHBondContact SG-NE2 3.03Å; C298-H320 PolarHBondContact SG-CE1 2.87Å; C298-H320 PolarHBondContact SG-ND1 2.92Å
299E85.4Confident75.4Confident128 Ų12899.8 Ų99.860%0.59851%0.509SS*.THydrogen-bonded Turntrans-65.7-38.6-179.5-64.1174.1-176.200112.1H297 C301 N302H297-E299 WeakPolarHBondContact CD2-CG 3.47Å; H297-E299 IonicContact CD2-OE1 3.65Å; H297-E299 IonicContact CE1-OE1 3.82Å; H297-E299 WeakPolarHBondContact NE2-CG 3.4Å; H297-E299 IonicContact NE2-OE1 2.79Å; H297-E299 PolarHBondContact NE2-OE1 3.5Å; E299-C301 VanDerWaalsContact C-N 3.27Å; E299-C301 PolarHBondContact O-N 3.09Å; E299-N302 PolarHBondContact O-N 2.86Å; E299-N302 PolarHBondContact O-OD1 2.94Å
300I84Confident77.2Confident100 Ų10098.6 Ų98.651%0.51349%0.493SS..THydrogen-bonded Turntrans-64.4-29.7-179.7-63.3133.9000112.7V324I300-V324 HydrophobicContact CD1-CG2 3.94Å; I300-V324 HydrophobicContact CG1-CG2 4.36Å; I300-V324 HydrophobicContact CG2-CG2 3.83Å
301C84.9Confident79.4Confident46 Ų4693.4 Ų93.431%0.31147%0.465SS..THydrogen-bonded Turntrans-114.1-2.2-179.4-610000113.5C298 E299 V303C298-C301 HydrophobicContact CB-CB 4.49Å; C298-C301 PolarHBondContact O-N 3.34Å; E299-C301 VanDerWaalsContact C-N 3.27Å; E299-C301 PolarHBondContact O-N 3.09Å; C301-V303 HydrophobicContact CB-CG2 3.95Å; C301-V303 WeakPolarHBondContact O-CG2 3.39Å; C301-V303 PolarHBondContact O-N 3.06Å
302N85.3Confident81.4Confident149 Ų14992.3 Ų92.380%0.79745%0.449SS*.THydrogen-bonded Turntrans4734.8-170.6-69.9-59.7000114.7C298 E299C298-N302 WeakPolarHBondContact O-CA 2.99Å; C298-N302 PolarHBondContact O-N 3.12Å; E299-N302 PolarHBondContact O-N 2.86Å; E299-N302 PolarHBondContact O-OD1 2.94Å
303V84.2Confident83.5Confident61 Ų6191.8 Ų91.837%0.3745%0.447SS..EExtended strand (participates in β ladder)trans-102128.3178.7-174.20000110C298 C301 V305C298-V303 PolarHBondContact N-O 3.37Å; C298-V303 PolarHBondContact O-N 3.34Å; C301-V303 HydrophobicContact CB-CG2 3.95Å; C301-V303 WeakPolarHBondContact O-CG2 3.39Å; C301-V303 PolarHBondContact O-N 3.06Å; V303-V305 HydrophobicContact CG1-CG1 4.19Å
304R89.1Confident85.5Confident196 Ų19688 Ų8874%0.7443%0.429SS*.EExtended strand (participates in β ladder)trans-94.2136167.2-66-173.8-66.9-111.23.1109.8H297H297-R304 HydrophobicContact CB-CG 4.2Å
305V86.4Confident86.9Confident20 Ų2084 Ų8412%0.12142%0.419CS..EExtended strand (participates in β ladder)trans-131.4146.1176.9-770000109.8T295 F296 V303 Q310 L311T295-V305 CarbonylContact C-O 3.59Å; F296-V305 HydrophobicContact CB-CG2 4.1Å; F296-V305 PolarHBondContact N-O 2.91Å; F296-V305 WeakPolarHBondContact O-CG2 3.3Å; F296-V305 PolarHBondContact O-N 3.44Å; V303-V305 HydrophobicContact CG1-CG1 4.19Å; V305-Q310 HydrophobicContact CB-CB 4.12Å; V305-Q310 HydrophobicContact CB-CG 3.91Å; V305-Q310 VanDerWaalsContact CB-OE1 3.3Å; V305-Q310 HydrophobicContact CG1-CG 3.82Å; V305-Q310 HydrophobicContact CG2-CB 4.46Å; V305-L311 HydrophobicContact CG2-CB 3.64Å; V305-L311 HydrophobicContact CG2-CD1 3.94Å; V305-L311 HydrophobicContact CG2-CG 4.38Å
306N83Confident87.8Confident93 Ų9384.4 Ų84.450%0.49742%0.424SS..SBendtrans-79.8-19.6-169.9171.9-88.1000112.7E293E293-N306 PolarHBondContact OE1-ND2 3.49Å; E293-N306 PolarHBondContact OE2-ND2 2.84Å
307S86.8Confident88.2Confident51 Ų5184 Ų8436%0.35743%0.427SS..  trans-122.1143.4-179.2179.20000113.7L309 Q310 L311S307-L309 PolarHBondContact O-N 3.14Å; S307-L309 PolarHBondContact OG-N 3.39Å; S307-Q310 WeakPolarHBondContact O-CA 3.42Å; S307-Q310 WeakPolarHBondContact O-CB 3.28Å; S307-Q310 PolarHBondContact O-N 2.89Å; S307-L311 PolarHBondContact O-N 3.39Å
308E87.3Confident88.2Confident87 Ų8788.3 Ų88.341%0.40744%0.439SS..Hα-helixtrans-59.1-36.5174.5-162.4-177.8136.300111.4F296 Q310 L311 K312F296-E308 HydrophobicContact CD1-CB 4.16Å; F296-E308 HydrophobicContact CD1-CG 4.03Å; F296-E308 HydrophobicContact CD2-CB 4.07Å; F296-E308 HydrophobicContact CE1-CB 3.7Å; F296-E308 HydrophobicContact CE1-CG 3.55Å; F296-E308 HydrophobicContact CE2-CB 3.62Å; F296-E308 HydrophobicContact CE2-CG 4.41Å; F296-E308 HydrophobicContact CG-CB 4.34Å; F296-E308 HydrophobicContact CZ-CB 3.42Å; F296-E308 VanDerWaalsContact CZ-CB 3.42Å; F296-E308 HydrophobicContact CZ-CG 3.78Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; E308-L311 PolarHBondContact O-N 2.92Å; E308-K312 HydrophobicContact CG-CD 4.36Å; E308-K312 WeakPolarHBondContact O-CB 3.35Å; E308-K312 WeakPolarHBondContact O-CG 3.1Å; E308-K312 PolarHBondContact O-N 2.85Å; E308-K312 WeakPolarHBondContact OE1-CE 3.47Å; E308-K312 IonicContact OE1-NZ 3.35Å; E308-K312 PolarHBondContact OE1-NZ 2.77Å
309L90.4Very high88.2Confident130 Ų13098.7 Ų98.768%0.68148%0.478SS*.Hα-helixtrans-67-38.2177.3-171.862.1000111S307 K312 Q313S307-L309 PolarHBondContact O-N 3.14Å; S307-L309 PolarHBondContact OG-N 3.39Å; L309-K312 PolarHBondContact O-N 2.99Å; L309-Q313 WeakPolarHBondContact O-CB 3.05Å; L309-Q313 PolarHBondContact O-N 3.07Å
310Q87.1Confident88.3Confident95 Ų9593.1 Ų93.144%0.44445%0.452SS..Hα-helixtrans-67-36.5174.9-164.5-179.529.600111.1V305 S307 E308 H314V305-Q310 HydrophobicContact CB-CB 4.12Å; V305-Q310 HydrophobicContact CB-CG 3.91Å; V305-Q310 VanDerWaalsContact CB-OE1 3.3Å; V305-Q310 HydrophobicContact CG1-CG 3.82Å; V305-Q310 HydrophobicContact CG2-CB 4.46Å; S307-Q310 WeakPolarHBondContact O-CA 3.42Å; S307-Q310 WeakPolarHBondContact O-CB 3.28Å; S307-Q310 PolarHBondContact O-N 2.89Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; Q310-H314 WeakPolarHBondContact O-CB 3.35Å; Q310-H314 PolarHBondContact O-N 3.32Å
311L92Very high88.5Confident24 Ų2496.6 Ų96.613%0.12646%0.458CS..Hα-helixtrans-68.2-45.3172.4-174.666.3000111.8F296 C298 V305 S307 E308 Q313 H314 I315F296-L311 HydrophobicContact CB-CB 3.7Å; F296-L311 HydrophobicContact CB-CD2 3.73Å; F296-L311 HydrophobicContact CB-CG 4.19Å; F296-L311 HydrophobicContact CD1-CD2 4.25Å; F296-L311 HydrophobicContact CG-CB 4.43Å; F296-L311 HydrophobicContact CG-CD2 4.44Å; C298-L311 HydrophobicContact CB-CD1 3.78Å; V305-L311 HydrophobicContact CG2-CB 3.64Å; V305-L311 HydrophobicContact CG2-CD1 3.94Å; V305-L311 HydrophobicContact CG2-CG 4.38Å; S307-L311 PolarHBondContact O-N 3.39Å; E308-L311 PolarHBondContact O-N 2.92Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.47Å; L311-H314 CarbonylContact O-C 3.6Å; L311-H314 WeakPolarHBondContact O-CB 3.09Å; L311-H314 PolarHBondContact O-N 3.35Å; L311-H314 VanDerWaalsContact O-N 3.11Å; L311-I315 HydrophobicContact CD1-CD1 4.11Å; L311-I315 HydrophobicContact CD1-CG1 4.25Å; L311-I315 HydrophobicContact CD2-CD1 4.12Å; L311-I315 HydrophobicContact CG-CD1 3.73Å; L311-I315 HydrophobicContact CG-CG1 4.27Å; L311-I315 WeakPolarHBondContact O-CB 3.38Å; L311-I315 WeakPolarHBondContact O-CG1 3.08Å; L311-I315 PolarHBondContact O-N 3.1Å
312K89.6Confident88.5Confident103 Ų10398.3 Ų98.345%0.44846%0.464SS..Hα-helixtrans-59.2-40.6175.1-75.8167.9170.8170.90111.6E308 L309 S316E308-K312 HydrophobicContact CG-CD 4.36Å; E308-K312 WeakPolarHBondContact O-CB 3.35Å; E308-K312 WeakPolarHBondContact O-CG 3.1Å; E308-K312 PolarHBondContact O-N 2.85Å; E308-K312 WeakPolarHBondContact OE1-CE 3.47Å; E308-K312 IonicContact OE1-NZ 3.35Å; E308-K312 PolarHBondContact OE1-NZ 2.77Å; L309-K312 PolarHBondContact O-N 2.99Å; K312-S316 WeakPolarHBondContact O-CB 3.37Å; K312-S316 PolarHBondContact O-N 3.45Å; K312-S316 PolarHBondContact O-OG 3.41Å
313Q93.3Very high88.3Confident137 Ų13793 Ų9364%0.6445%0.445SS*.Hα-helixtrans-66.6-40.4173.3-166.7178.819.900112.2L309 L311 S316 S317L309-Q313 WeakPolarHBondContact O-CB 3.05Å; L309-Q313 PolarHBondContact O-N 3.07Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.47Å; Q313-S316 WeakPolarHBondContact CA-OG 3.35Å; Q313-S316 PolarHBondContact O-OG 2.86Å; Q313-S316 VanDerWaalsContact O-OG 3.04Å; Q313-S317 WeakPolarHBondContact O-CB 3.31Å; Q313-S317 PolarHBondContact O-N 3.21Å; Q313-S317 VanDerWaalsContact O-N 3.08Å
314H93.9Very high88.1Confident40 Ų4094.1 Ų94.119%0.18545%0.452CS..Hα-helixtrans-60.3-50.4173.4173.291.6000111.5C298 Q310 L311 S316 S317 H320C298-H314 PolarHBondContact SG-NE2 3.03Å; Q310-H314 WeakPolarHBondContact O-CB 3.35Å; Q310-H314 PolarHBondContact O-N 3.32Å; L311-H314 CarbonylContact O-C 3.6Å; L311-H314 WeakPolarHBondContact O-CB 3.09Å; L311-H314 PolarHBondContact O-N 3.35Å; L311-H314 VanDerWaalsContact O-N 3.11Å; H314-S316 PolarHBondContact O-N 3.31Å; H314-S317 WeakPolarHBondContact O-CB 3.43Å; H314-S317 PolarHBondContact O-N 3.39Å; H314-S317 PolarHBondContact O-OG 2.71Å; H314-H320 AromaticContact CD2-ND1 3.59Å; H314-H320 AromaticContact NE2-ND1 3.34Å; H314-H320 PolarHBondContact NE2-ND1 3.32Å; H314-H320 WeakPolarHBondContact O-CB 3.14Å
315I91.6Very high87.5Confident76 Ų7687.6 Ų87.639%0.3944%0.439SS..Hα-helixtrans-63.6-42.2-178.6-68.2170.2000111.4L311 S317 H320L311-I315 HydrophobicContact CD1-CD1 4.11Å; L311-I315 HydrophobicContact CD1-CG1 4.25Å; L311-I315 HydrophobicContact CD2-CD1 4.12Å; L311-I315 HydrophobicContact CG-CD1 3.73Å; L311-I315 HydrophobicContact CG-CG1 4.27Å; L311-I315 WeakPolarHBondContact O-CB 3.38Å; L311-I315 WeakPolarHBondContact O-CG1 3.08Å; L311-I315 PolarHBondContact O-N 3.1Å; I315-S317 PolarHBondContact O-N 2.94Å; I315-H320 PolarHBondContact O-CD2 2.97Å
316S90Very high86.2Confident81 Ų8189.7 Ų89.757%0.56647%0.465SS*.Hα-helixtrans-69.7-16.5174.860.70000113.8K312 Q313 H314K312-S316 WeakPolarHBondContact O-CB 3.37Å; K312-S316 PolarHBondContact O-N 3.45Å; K312-S316 PolarHBondContact O-OG 3.41Å; Q313-S316 WeakPolarHBondContact CA-OG 3.35Å; Q313-S316 PolarHBondContact O-OG 2.86Å; Q313-S316 VanDerWaalsContact O-OG 3.04Å; H314-S316 PolarHBondContact O-N 3.31Å
317S90.8Very high84.6Confident38 Ų3892.8 Ų92.827%0.26647%0.474SS..SBendtrans-65.2146.3-178.784.10000111.8Q313 H314 I315 R319 H320 R321Q313-S317 WeakPolarHBondContact O-CB 3.31Å; Q313-S317 PolarHBondContact O-N 3.21Å; Q313-S317 VanDerWaalsContact O-N 3.08Å; H314-S317 WeakPolarHBondContact O-CB 3.43Å; H314-S317 PolarHBondContact O-N 3.39Å; H314-S317 PolarHBondContact O-OG 2.71Å; I315-S317 PolarHBondContact O-N 2.94Å; S317-R319 PolarHBondContact O-N 3.26Å; S317-H320 PolarHBondContact O-N 3.4Å; S317-H320 PolarHBondContact OG-N 3.1Å; S317-R321 WeakPolarHBondContact O-CG 3.45Å; S317-R321 PolarHBondContact O-N 2.94Å; S317-R321 VanDerWaalsContact O-N 3.13Å
318R89.1Confident82.8Confident194 Ų19495.8 Ų95.873%0.73249%0.492SS*.Hα-helixtrans-56.2-36.6176.4-178.5173.5178.9179.75.5112.3R321 D322R318-R321 PolarHBondContact O-N 3.4Å; R318-D322 VanDerWaalsContact CG-OD2 3.26Å; R318-D322 WeakPolarHBondContact CG-OD2 3.5Å; R318-D322 IonicContact NE-OD2 2.65Å; R318-D322 PolarHBondContact NE-OD2 2.79Å; R318-D322 WeakPolarHBondContact O-CB 3.28Å; R318-D322 PolarHBondContact O-N 3.38Å
319R86.8Confident81Confident224 Ų22496.2 Ų96.285%0.84550%0.498SS*.Hα-helixtrans-63.5-42.6-179.4-66.9-178.4179.6176.3-0.4112.5S317 G323S317-R319 PolarHBondContact O-N 3.26Å; R319-G323 PolarHBondContact O-N 2.67Å
320H89.3Confident79.3Confident11 Ų1195.6 Ų95.65%0.05150%0.501CS..Hα-helixtrans-66.5-48.1175.1177.490.7000110.9C298 H314 I315 S317 D322 G323 V324C298-H320 PolarHBondContact SG-CE1 2.87Å; C298-H320 PolarHBondContact SG-ND1 2.92Å; H314-H320 AromaticContact CD2-ND1 3.59Å; H314-H320 AromaticContact NE2-ND1 3.34Å; H314-H320 PolarHBondContact NE2-ND1 3.32Å; H314-H320 WeakPolarHBondContact O-CB 3.14Å; I315-H320 PolarHBondContact O-CD2 2.97Å; S317-H320 PolarHBondContact O-N 3.4Å; S317-H320 PolarHBondContact OG-N 3.1Å; H320-D322 VanDerWaalsContact C-N 3.33Å; H320-D322 PolarHBondContact O-N 3.44Å; H320-G323 CarbonylContact O-C 3.59Å; H320-G323 WeakPolarHBondContact O-CA 3.35Å; H320-G323 PolarHBondContact O-N 3.37Å; H320-V324 WeakPolarHBondContact NE2-CG2 3.45Å; H320-V324 WeakPolarHBondContact O-CG2 3.41Å; H320-V324 PolarHBondContact O-N 3.11Å
321R88.4Confident77.8Confident172 Ų17297.9 Ų97.965%0.64952%0.516SS*.Hα-helixtrans-59.7-39.4178.9-66.5-179.264.2-164-1.4113.4S317 R318 G323 A325S317-R321 WeakPolarHBondContact O-CG 3.45Å; S317-R321 PolarHBondContact O-N 2.94Å; S317-R321 VanDerWaalsContact O-N 3.13Å; R318-R321 PolarHBondContact O-N 3.4Å; R321-G323 VanDerWaalsContact C-N 3.32Å; R321-A325 PolarHBondContact O-N 2.88Å
322D84.6Confident76Confident83 Ų83103.3 Ų103.344%0.44454%0.544SS..Hα-helixtrans-68.3-32.1176-69.3-20.8000111.2R318 H320R318-D322 VanDerWaalsContact CG-OD2 3.26Å; R318-D322 WeakPolarHBondContact CG-OD2 3.5Å; R318-D322 IonicContact NE-OD2 2.65Å; R318-D322 PolarHBondContact NE-OD2 2.79Å; R318-D322 WeakPolarHBondContact O-CB 3.28Å; R318-D322 PolarHBondContact O-N 3.38Å; H320-D322 VanDerWaalsContact C-N 3.33Å; H320-D322 PolarHBondContact O-N 3.44Å
323G80.6Confident73.9Confident37 Ų37103.9 Ų103.938%0.38156%0.561SS.*Hα-helixtrans-73.2-39.8173.200000114.4R319 H320 R321 A325 G326R319-G323 PolarHBondContact O-N 2.67Å; H320-G323 CarbonylContact O-C 3.59Å; H320-G323 WeakPolarHBondContact O-CA 3.35Å; H320-G323 PolarHBondContact O-N 3.37Å; R321-G323 VanDerWaalsContact C-N 3.32Å; G323-A325 PolarHBondContact O-N 3.33Å; G323-G326 PolarHBondContact O-N 3.03Å
324V80.4Confident71.9Confident85 Ų85107.8 Ų107.852%0.51557%0.57SS.*Hα-helixtrans-58.7-34.1173.1172.30000111.5I300 H320 G326I300-V324 HydrophobicContact CD1-CG2 3.94Å; I300-V324 HydrophobicContact CG1-CG2 4.36Å; I300-V324 HydrophobicContact CG2-CG2 3.83Å; H320-V324 WeakPolarHBondContact NE2-CG2 3.45Å; H320-V324 WeakPolarHBondContact O-CG2 3.41Å; H320-V324 PolarHBondContact O-N 3.11Å; V324-G326 PolarHBondContact O-N 2.98Å
325A75Confident69.9Low58 Ų58114 Ų11448%0.47960%0.599SS.*THydrogen-bonded Turntrans-72.813.2-178.700000114.8R321 G323 K327R321-A325 PolarHBondContact O-N 2.88Å; G323-A325 PolarHBondContact O-N 3.33Å; A325-K327 PolarHBondContact O-N 3.44Å
326G60Low67.6Low64 Ų64120 Ų12066%0.6662%0.622SS**THydrogen-bonded Turntrans65.910.517300000115.1G323 V324 P328G323-G326 PolarHBondContact O-N 3.03Å; V324-G326 PolarHBondContact O-N 2.98Å; G326-P328 WeakPolarHBondContact O-CD 3.45Å
327K49.7Very low65.3Low158 Ų158125.9 Ų125.969%0.68764%0.637SS**  trans-86.5104.2177.6-72.8163.4-175.71730107.7A325 N329A325-K327 PolarHBondContact O-N 3.44Å; K327-N329 PolarHBondContact O-N 2.75Å; K327-N329 VanDerWaalsContact O-N 3.11Å
328P49.3Very low63.2Low115 Ų115135.6 Ų135.675%0.74767%0.668SS**  trans-61.7121.1-178.626.1-34000108.8G326 P330G326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-P330 VanDerWaalsContact O-CD 3.25Å; P328-P330 WeakPolarHBondContact O-CD 3.44Å
329N49Very low61.1Low96 Ų96131.9 Ų131.951%0.51367%0.667SS.*  trans-68.7113.1173.7-176.4-31.2000107.9K327 L331K327-N329 PolarHBondContact O-N 2.75Å; K327-N329 VanDerWaalsContact O-N 3.11Å; N329-L331 PolarHBondContact O-N 3.22Å; N329-L331 PolarHBondContact OD1-N 3.44Å
330P55.1Low58.8Low117 Ų117128.2 Ų128.276%0.7667%0.665SS**THydrogen-bonded Turntrans-69.4-5-168.127.9-35.3000114P328P328-P330 VanDerWaalsContact O-CD 3.25Å; P328-P330 WeakPolarHBondContact O-CD 3.44Å
331L55.5Low56.5Low142 Ų142137.4 Ų137.474%0.74371%0.705SS**THydrogen-bonded Turntrans-101.5-7.5-173.3-58-173.2000115.4N329N329-L331 PolarHBondContact O-N 3.22Å; N329-L331 PolarHBondContact OD1-N 3.44Å
332L52.9Low54.4Low139 Ų139137.6 Ų137.673%0.72872%0.715SS**THydrogen-bonded Turntrans-105.5-13.3-175.9-61.2-173.9000115.6R334L332-R334 PolarHBondContact O-N 2.9Å; L332-R334 VanDerWaalsContact O-N 3.14Å
333S46Very low51.8Low115 Ų115142.5 Ų142.580%0.80474%0.735SS**THydrogen-bonded Turntrans-75.96.6-179.6-590000115.6
334R51.2Low49.7Very low219 Ų219147.4 Ų147.483%0.82675%0.752SS**THydrogen-bonded Turntrans-85.7-16-174.9-173.9162.6-79.1-119.3-0.4115L332L332-R334 PolarHBondContact O-N 2.9Å; L332-R334 VanDerWaalsContact O-N 3.14Å
335H52.3Low48Very low169 Ų169148 Ų14878%0.78276%0.757SS**SBendtrans-123.958.3-169.1-63.1116.2000114.9
336K44.3Very low46.1Very low204 Ų204153.6 Ų153.689%0.88777%0.771SS**SBendtrans-150.144165.7-159.370176.31780113.6
337K40.2Very low44.8Very low203 Ų203156.3 Ų156.388%0.88378%0.775SS**  trans-152.168.8167.3-161.6179.6-176.6-179.50113
338R46.3Very low44.1Very low242 Ų242157.2 Ų157.291%0.91379%0.786SS**  trans-155.749.4158.5-152.7173.5177.8148.20.5114
339T45.2Very low43.3Very low117 Ų117155.2 Ų155.272%0.71879%0.787SS**  trans-140108.6152.1520000100.2
340D39.5Very low42.8Very low147 Ų147157.1 Ų157.179%0.78680%0.804SS**SBendcis-139.8-160.144.7-53.4-57.1000112.4
341F40.7Very low41.9Very low203 Ų203154.8 Ų154.889%0.8980%0.801SS**  trans76.972.1-174.5-78.5-94.5000117.1
342M43.8Very low41.1Very low177 Ų177156.2 Ų156.287%0.87281%0.809SS**  trans-133.283.6135.4-93.1-127.466.500109.5
343E30Very low40.8Very low185 Ų185157.8 Ų157.886%0.86482%0.817SS**  trans-139143.1147.5-87.4-140.510400108.9
344L36.2Very low40.6Very low140 Ų140158.4 Ų158.473%0.73382%0.818SS**  trans-123132.1-173.717159.5000105.9
345P45.9Very low40Very low97 Ų97152.9 Ų152.963%0.6381%0.814SS**  -149135.1106.431.1-11.7000116.8
346K35.3Very low39.9Very low177 Ų177150.8 Ų150.877%0.7782%0.815SS**  trans60.4119.8137.7-55.3159.4-167163.60115.2
347T32.3Very low39.8Very low121 Ų121148.8 Ų148.874%0.74281%0.813SS**  -172.5158.965.843.50000113
348L33.8Very low39.8Very low176 Ų176143.7 Ų143.792%0.92181%0.809SS**  trans57.1124.1148.2-72.2157.7000120.8
349G32.7Very low39.5Very low73 Ų73139 Ų13975%0.75381%0.807SS**  trans143.5111.716000000114
350P40.4Very low39Very low136 Ų136138.5 Ų138.588%0.88381%0.814SS**  trans-93149.4-174.135.5-34000114
351G36Very low38.8Very low68 Ų68136.1 Ų136.170%0.70182%0.815SS**  trans116.2131.1140.800000118.8
352L38.9Very low38.5Very low173 Ų173131.6 Ų131.691%0.90682%0.815SS**  trans75.891.7147.2-48.8-177.1000118.5
353L45.2Very low38.3Very low172 Ų172132 Ų13290%0.90182%0.817SS**  trans-72.6139.7158.1-60.7170.4000110.8
354P42.9Very low38.6Very low127 Ų127127.9 Ų127.983%0.82581%0.814SS**  trans-95.1106.5160.86.912.3000110.4
355S37.4Very low38.5Very low104 Ų104126.3 Ų126.373%0.72782%0.822SS**  trans-88.8130.8162.7179.10000109.2L357S355-L357 PolarHBondContact O-N 2.91Å
356P49.9Very low37.8Very low125 Ų125126.9 Ų126.981%0.81284%0.835SS**SBendtrans-86.270.9-171.735.5-36.1000112.1
357L43.8Very low37.7Very low162 Ų162123.5 Ų123.585%0.84884%0.84SS**  trans-152.653174.4-150.185.3000115.8S355S355-L357 PolarHBondContact O-N 2.91Å
358A39.2Very low38Very low95 Ų95123.1 Ų123.179%0.78584%0.842SS**  trans-174118.515500000111.1
359V39.8Very low38.3Very low145 Ų145119.2 Ų119.288%0.87983%0.83SS**  -174108.1128165.40000106.4
360A36.3Very low38.5Very low106 Ų106121.9 Ų121.988%0.87683%0.826SS**  trans-136.390.6165.700000107.7
361A34.8Very low38.3Very low96 Ų96122.3 Ų122.379%0.79382%0.817SS**  trans-173.197.8167.100000111.5
362A33.6Very low38.1Very low109 Ų109126.5 Ų126.590%0.90182%0.822SS**  trans-157.699.4154.400000108.3
363M40.3Very low37.8Very low186 Ų186122 Ų12292%0.91681%0.81SS**  trans-95153.4-178.7-82.4-84.3-161.700111.7
364A35.5Very low37.2Very low97 Ų97121.7 Ų121.780%0.80281%0.808SS**  trans55.9102.7147.500000120.3
365A33.8Very low36.9Very low108 Ų108126.8 Ų126.889%0.89381%0.811SS**  trans-161.985.5146.400000112.1
366A32.9Very low37.3Very low109 Ų109126.4 Ų126.490%0.90181%0.806SS**  trans-16071.4169.600000112.7
367A32.1Very low37.3Very low105 Ų105126.3 Ų126.387%0.86881%0.806SS**  trans-150.3101.4171.400000112.1
368S38Very low36.7Very low114 Ų114121.9 Ų121.980%0.79780%0.799SS**  trans-174.699163.3-175.40000106.8
369S39.8Very low37Very low94 Ų94124.1 Ų124.166%0.65781%0.805SS**  72122.875-167.50000110.8
370N37.2Very low36.7Very low128 Ų128121.6 Ų121.668%0.68480%0.8SS**  cis-146.5179.58.1-78.8-36.6000109.2
371Q36.3Very low37.2Very low146 Ų146122.2 Ų122.268%0.68280%0.795SS**  cis-167.715345.2-81.2-67.416.400113.8
372L32.8Very low37.3Very low156 Ų156126.2 Ų126.282%0.81780%0.797SS**  trans52.7144.7142.9-62.9160.4000121.1
373A32.5Very low37.9Very low78 Ų78127.1 Ų127.165%0.64579%0.794SS**  cis-167.8144-9.200000113.9
374L32.5Very low37.6Very low166 Ų166127 Ų12787%0.86979%0.79SS**  trans55.699.4141-56.7172.2000125.2
375R36.1Very low38.3Very low233 Ų233127.3 Ų127.388%0.87978%0.784SS**  42.2172.7112.7-127.7-163.9147.286-3.5123.3
376P46.5Very low38.2Very low96 Ų96130 Ų13062%0.62378%0.778SS**  -118.2-141.8-107.548.4-29.9000113.4
377P49.5Very low38.2Very low124 Ų124131.3 Ų131.381%0.80577%0.769SS**  cis-127.2-170-28.738.9-19.5000114.3
378G31.9Very low38.3Very low68 Ų68133.5 Ų133.570%0.70177%0.766SS**  trans-101.6178-177.800000117.6
379P44.5Very low38.2Very low142 Ų142137.6 Ų137.692%0.92277%0.772SS**  -151.4-168.6112.738.1-17.3000117.4
380A34.1Very low37.9Very low93 Ų93136.8 Ų136.877%0.76978%0.779SS**  trans-89.8-161-169.300000115.7
381P46Very low37.9Very low118 Ų118137.3 Ų137.377%0.76679%0.787SS**  cis-140-155.4-3.942.8-19.5000117.1
382H36.6Very low38.8Very low181 Ų181135.3 Ų135.384%0.83879%0.787SS**  trans-74.7167.7-171.1-47-80.3000118.8
383P47.2Very low39Very low128 Ų128135.3 Ų135.383%0.83179%0.787SS**  -153.3-175.1103.938.8-18.5000118.8
384H34.6Very low39.1Very low182 Ų182136.9 Ų136.984%0.84379%0.793SS**  trans-82.5-164.3179.2-68.5-102.5000114.3
385P50.5Low39.7Very low104 Ų104137 Ų13768%0.67579%0.793SS**  cis-143.2-162.8-0.824.26.2000118
386H31.2Very low39.8Very low165 Ų165134.3 Ų134.376%0.76480%0.796SS**  trans74.1161.5164.4-71.5-87.8000121
387L32.9Very low40.1Very low136 Ų136141 Ų14171%0.71281%0.808SS**  cis-165.6146.4-47.5-109.3-167000109.5
388L34.4Very low40Very low152 Ų152140.5 Ų140.580%0.79681%0.805SS**  trans67.9141.6153.9-71.9163.6000123.9
389Q36.2Very low40.5Very low199 Ų199141.6 Ų141.693%0.9381%0.807SS**  trans103.7117.4139-152.3162.62.800120.2
390G32.7Very low40.8Very low78 Ų78141.2 Ų141.280%0.80481%0.805SS**  trans135.296.3160.300000117.8
391T36.8Very low42.1Very low138 Ų138139.5 Ų139.585%0.84780%0.797SS**  trans-110.6173.5164.346.80000109.9
392P55.3Low42.4Very low105 Ų105140.2 Ų140.268%0.68280%0.801SS**  cis-133.2-161.1-28.126.6-2.2000112.7
393L37.3Very low43.1Very low156 Ų156139.3 Ų139.382%0.81780%0.801SS**  trans87.3101.6158.3-52.3177.5000119.5
394S34.8Very low43.2Very low111 Ų111144.1 Ų144.178%0.77680%0.802SS**  -179.9134.1109.4-85.30000115.2
395L43.8Very low43.7Very low168 Ų168142 Ų14288%0.8880%0.802SS**  trans65.561.7148-56.9172.3000120.2R397L395-R397 PolarHBondContact O-N 3.04Å
396L40.1Very low43.5Very low177 Ų177143.5 Ų143.593%0.92781%0.81SS**  trans-75.6109.5148.7-87.8159000109.6P398L396-P398 WeakPolarHBondContact O-CD 3.32Å
397R52Low44.3Very low235 Ų235143.3 Ų143.389%0.88781%0.809SS**PPolyproline II helixtrans-79121.5179.2-177.1-177.6-179.2104.8-2.2111L395L395-R397 PolarHBondContact O-N 3.04Å
398P47.2Very low45.5Very low115 Ų115139 Ų13975%0.74780%0.798SS**PPolyproline II helixtrans-66.5142.6172.1-19.833.3000112L396L396-P398 WeakPolarHBondContact O-CD 3.32Å
399A41.5Very low46.6Very low90 Ų90137.8 Ų137.874%0.74480%0.799SS**PPolyproline II helixtrans-71.2151.2174.500000111.5G401A399-G401 PolarHBondContact O-N 3.21Å
400P51.3Low47.5Very low135 Ų135134.1 Ų134.188%0.87778%0.784SS**  trans-67.9115.3-175.4-18.132.1000112.3
401G61.2Low48.6Very low57 Ų57137.8 Ų137.859%0.58879%0.785SS**  trans-76.2163169.300000112.5A399 I403A399-G401 PolarHBondContact O-N 3.21Å; G401-I403 PolarHBondContact O-N 2.98Å
402P53.6Low49.6Very low132 Ų132140.3 Ų140.386%0.85778%0.784SS**  trans-68.4123.1178.7-14.429.2000110.9R404P402-R404 PolarHBondContact O-N 2.91Å; P402-R404 VanDerWaalsContact O-N 3.14Å
403I50.5Low49.1Very low163 Ų163141.5 Ų141.584%0.83679%0.79SS**  trans-67.5112.5176.1-61.1173.6000108.8G401G401-I403 PolarHBondContact O-N 2.98Å
404R49Very low50.6Low229 Ų229139.9 Ų139.986%0.86479%0.789SS**  trans-76.2123164-61.2-178.975.4-164.23.8107.6P402 T406P402-R404 PolarHBondContact O-N 2.91Å; P402-R404 VanDerWaalsContact O-N 3.14Å; R404-T406 PolarHBondContact O-N 3.49Å
405T45.1Very low50.8Low136 Ų136149.1 Ų149.183%0.83481%0.809SS**  trans-67.7113.917249.70000109.5H407T405-H407 PolarHBondContact O-N 3.14Å
406T47.2Very low51.2Low137 Ų137148.2 Ų148.284%0.8481%0.805SS**PPolyproline II helixtrans-68.4119.9173.143.80000110.2R404R404-T406 PolarHBondContact O-N 3.49Å
407H48Very low51.7Low160 Ų160146.6 Ų146.674%0.74180%0.799SS**PPolyproline II helixtrans-67.6128.1168.5-170.8-78.7000109T405T405-H407 PolarHBondContact O-N 3.14Å
408G57.5Low51.7Low47 Ų47141.7 Ų141.749%0.48579%0.794SS.*PPolyproline II helixtrans-68.4159.9177.200000112.5I410G408-I410 PolarHBondContact O-N 2.85Å
409P57.3Low52Low125 Ų125143.3 Ų143.381%0.81280%0.797SS**PPolyproline II helixtrans-71123.6175.529.1-32.8000110.4L411P409-L411 PolarHBondContact O-N 3.14Å
410I55.8Low52.7Low122 Ų122146.6 Ų146.663%0.62680%0.8SS**  trans-77.1113.3168.7-64.2172.1000107.4G408 F412G408-I410 PolarHBondContact O-N 2.85Å; I410-F412 HydrophobicContact CG2-CD2 4.08Å; I410-F412 HydrophobicContact CG2-CE2 4.27Å; I410-F412 PolarHBondContact O-N 2.9Å
411L55.9Low52.7Low156 Ų156147.4 Ų147.482%0.81780%0.795SS**  trans-78.4112.9167.1-69.4172.6000108.7P409P409-L411 PolarHBondContact O-N 3.14Å
412F57.8Low52.1Low190 Ų190153.9 Ų153.983%0.83381%0.809SS**  trans-78.5120.3165-98.6-102000109.3I410I410-F412 HydrophobicContact CG2-CD2 4.08Å; I410-F412 HydrophobicContact CG2-CE2 4.27Å; I410-F412 PolarHBondContact O-N 2.9Å
413T45.3Very low52Low131 Ų131155.5 Ų155.580%0.80481%0.806SS**  trans-104.5113.5163.749.20000109.2
414P66.9Low52.2Low122 Ų122154.9 Ų154.979%0.79280%0.803SS**  trans-91.3116.7170.733-28.1000110.7
415Y40.1Very low52.4Low304 Ų304148.2 Ų148.2100%1.19280%0.798SS**  -177.50120.3-158.3-99.6000109.7

Retrieved 415 of 415 residues in 343 ms (Link to these results)