Z4YL92_MOUSE Loading...

Zinc finger, matrin type 1

AlphaFold DB , UniProt , Accession Z4YL92, Species MOUSE (Mus musculus, Mouse), Gene Zmat1, Length 613 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
1M42.8Very low37.3Very low251 Ų251138.1 Ų138.1100%1.23686%0.864SS**  0122.70-70.9167.7171.200106.8
2A34.2Very low37.4Very low103 Ų103143.3 Ų143.385%0.85187%0.865SS**  trans-153.7166.5-170.300000111.8
3A34.8Very low37.2Very low106 Ų106141.7 Ų141.788%0.87686%0.855SS**  trans83.4130.917200000117.5
4A41.3Very low36.5Very low108 Ų108143.1 Ų143.189%0.89386%0.856SS**  trans-92.2171.4175.300000111.1
5G34.2Very low36.3Very low76 Ų76141.5 Ų141.578%0.78485%0.848SS**  trans-165.9127.8170.600000111.9
6R43.1Very low36Very low238 Ų238139.2 Ų139.290%0.89884%0.839SS**  trans-71.9154.7168.2-63.1170.2-178.8-1091.1109.2
7G37.9Very low35.9Very low78 Ų78138.1 Ų138.180%0.80484%0.835SS**  trans-129.811016800000108.9
8D34.1Very low35.5Very low144 Ų144137.1 Ų137.177%0.7783%0.834SS**  trans-78.8158.8-167.6-65.9-61.1000114.3
9S37.4Very low35.4Very low101 Ų101138.4 Ų138.471%0.70684%0.835SS**  trans-65.4148.8167.759.30000111.7
10S37.6Very low35.2Very low118 Ų118143.2 Ų143.283%0.82584%0.837SS**  trans-142.4132.8154.4-840000111.3
11F33Very low34.9Very low196 Ų196145 Ų14586%0.8684%0.838SS**PPolyproline II helixtrans-58.8139.5-179.3-78.3-116.7000110.7
12K38.6Very low34.3Very low201 Ų201140 Ų14087%0.87482%0.816SS**PPolyproline II helixtrans-90.3130.5160.3-73-173.9176.6-179.60108.3
13V34Very low34.4Very low122 Ų122140.9 Ų140.974%0.73981%0.813SS**PPolyproline II helixtrans-82.4121.6-178.2173.60000109.1T15V13-T15 WeakPolarHBondContact CG1-OG1 3.46Å; V13-T15 PolarHBondContact O-N 3.23Å
14D28.3Very low34.1Very low161 Ų161140.9 Ų140.986%0.86180%0.802SS**  trans-80.798.1164.5-75.4-45.7000109.6
15T32.8Very low33.7Very low120 Ų120142.2 Ų142.274%0.73680%0.803SS**  trans-100.487.2167.7-54.20000109.2V13V13-T15 WeakPolarHBondContact CG1-OG1 3.46Å; V13-T15 PolarHBondContact O-N 3.23Å
16C32.1Very low33.4Very low104 Ų104145 Ų14570%0.70380%0.8SS**  trans-80.6131.6164.2-750000109.9C18C16-C18 PolarHBondContact O-N 2.94Å
17P33.3Very low33.3Very low121 Ų121137.1 Ų137.179%0.78679%0.794SS**  trans-82.8101.7175.932-31.4000110.2L19P17-L19 PolarHBondContact O-N 3.39Å
18C30.3Very low33.1Very low119 Ų119141.7 Ų141.780%0.80479%0.794SS**  trans-76.1107.1165.4-66.40000109C16 R20C16-C18 PolarHBondContact O-N 2.94Å; C18-R20 PolarHBondContact O-N 2.57Å
19L33.3Very low33.5Very low163 Ų163142.5 Ų142.585%0.85379%0.793SS**PPolyproline II helixtrans-55.1120.9164.6-67166.8000108.3P17P17-L19 PolarHBondContact O-N 3.39Å
20R31.4Very low33.3Very low233 Ų233145.4 Ų145.488%0.87980%0.796SS**PPolyproline II helixtrans-100.4120.7157-76.4-165.6172.1-153.5-2.5106.6C18 D22C18-R20 PolarHBondContact O-N 2.57Å; R20-D22 PolarHBondContact O-N 2.72Å
21E29.2Very low33.8Very low183 Ų183145.7 Ų145.786%0.85579%0.794SS**PPolyproline II helixtrans-75.6119.8170.6-62.9179.3153.700107.4
22D28.9Very low34.6Very low145 Ų145138.4 Ų138.478%0.77577%0.77SS**PPolyproline II helixtrans-72126.6165.7-65.1-50.8000107.7R20 T24R20-D22 PolarHBondContact O-N 2.72Å; D22-T24 PolarHBondContact O-N 3.44Å
23P35.9Very low35.2Very low122 Ų122135.1 Ų135.179%0.79275%0.753SS**  trans-70103.816728-30.7000108.2C25P23-C25 PolarHBondContact O-N 3.31Å
24T30.4Very low35.9Very low106 Ų106132 Ų13265%0.6573%0.73SS**  trans-55.4122.5164.241.10000108.4D22 D26D22-T24 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact OG1-OD2 2.9Å
25C32.3Very low37.4Very low135 Ų135127.9 Ų127.991%0.91271%0.711SS**  trans-78.670.8174.3-159.40000108.7P23 G27P23-C25 PolarHBondContact O-N 3.31Å; C25-G27 PolarHBondContact O-N 3.36Å
26D26.6Very low38.7Very low134 Ų134128.4 Ų128.472%0.71771%0.709SS**  trans-67.6116.7172.4-76.1-58.8000108.7T24 Q28T24-D26 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact OG1-OD2 2.9Å; D26-Q28 PolarHBondContact O-N 3.23Å
27G41.7Very low40.3Very low74 Ų74127.4 Ų127.476%0.76370%0.697SS**  trans-76109.5-17600000111.7C25C25-G27 PolarHBondContact O-N 3.36Å
28Q34.5Very low42Very low174 Ų174125.4 Ų125.481%0.81368%0.676SS**  trans-154.6126.5149-111.8172.6-38.400112.3D26D26-Q28 PolarHBondContact O-N 3.23Å
29E41Very low44.3Very low160 Ų160119.7 Ų119.775%0.74864%0.637SS**  trans61.591.7153.1-57.8-177.2179.300120.6
30Q33.7Very low45.8Very low163 Ų163117.5 Ų117.576%0.76262%0.621SS**  trans-137.774.7137.3-77.6-148.627.900113A32Q30-A32 PolarHBondContact O-N 3.16Å
31P48.1Very low47.5Very low123 Ų123109 Ų10980%0.79960%0.596SS**  trans-89.271.6179.436.7-33.6000111.7
32A49.8Very low49.4Very low43 Ų43101.5 Ų101.536%0.35556%0.563SS.*SBendtrans-141-43.5-176.800000117.2Q30 K40Q30-A32 PolarHBondContact O-N 3.16Å; A32-K40 WeakPolarHBondContact O-CD 3.38Å; A32-K40 WeakPolarHBondContact O-CE 3.36Å; A32-K40 PolarHBondContact O-NZ 3.11Å
33Y51.5Low51.2Low132 Ų13296.7 Ų96.752%0.51855%0.548SS..SBendtrans-94.2-19.6-162.7-63.5-71.5000115.7K40 P41Y33-K40 WeakPolarHBondContact O-CB 3.16Å; Y33-K40 WeakPolarHBondContact O-CG 3.43Å; Y33-K40 PolarHBondContact O-N 3.41Å; Y33-P41 HydrophobicContact CD1-CG 4.45Å; Y33-P41 WeakPolarHBondContact O-CD 3.38Å
34F49.1Very low52.6Low57 Ų5794.2 Ų94.225%0.2553%0.531CS..EExtended strand (participates in β ladder)trans-134.7134.7-178.1-59.9-106.3000109.4C39 F56 C59F34-C39 HydrophobicContact CD1-CB 3.63Å; F34-C39 HydrophobicContact CE1-CB 3.63Å; F34-C39 WeakPolarHBondContact CE1-SG 3.41Å; F34-F56 HydrophobicContact CB-CE1 3.57Å; F34-F56 HydrophobicContact CB-CZ 3.66Å; F34-F56 AromaticContact CD1-CD1 3.79Å; F34-F56 HydrophobicContact CD1-CD1 3.79Å; F34-F56 AromaticContact CD1-CE1 3.27Å; F34-F56 HydrophobicContact CD1-CE1 3.27Å; F34-F56 AromaticContact CD1-CZ 3.66Å; F34-F56 HydrophobicContact CD1-CZ 3.66Å; F34-F56 AromaticContact CD2-CD1 3.98Å; F34-F56 HydrophobicContact CD2-CD1 3.98Å; F34-F56 AromaticContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CZ 4.35Å; F34-F56 AromaticContact CE1-CD1 3.62Å; F34-F56 HydrophobicContact CE1-CD1 3.62Å; F34-F56 AromaticContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CG 4.37Å; F34-F56 HydrophobicContact CE1-CZ 4.32Å; F34-F56 AromaticContact CE2-CD1 3.87Å; F34-F56 HydrophobicContact CE2-CD1 3.87Å; F34-F56 AromaticContact CE2-CE1 3.79Å; F34-F56 HydrophobicContact CE2-CE1 3.79Å; F34-F56 AromaticContact CG-CD1 3.97Å; F34-F56 HydrophobicContact CG-CD1 3.97Å; F34-F56 AromaticContact CG-CE1 3.13Å; F34-F56 HydrophobicContact CG-CE1 3.13Å; F34-F56 AromaticContact CG-CZ 3.67Å; F34-F56 HydrophobicContact CG-CZ 3.67Å; F34-F56 AromaticContact CZ-CD1 3.69Å; F34-F56 HydrophobicContact CZ-CD1 3.69Å; F34-F56 AromaticContact CZ-CE1 3.9Å; F34-F56 HydrophobicContact CZ-CE1 3.9Å; F34-C59 HydrophobicContact CZ-CB 4.33Å
35T60.1Low54.6Low74 Ų7493.4 Ų93.445%0.45453%0.525SS..EExtended strand (participates in β ladder)trans-97.6155.215938.50000107.5N37 F38T35-N37 PolarHBondContact O-N 2.99Å; T35-F38 PolarHBondContact N-O 2.86Å; T35-F38 PolarHBondContact O-N 3.32Å; T35-F38 VanDerWaalsContact O-O 3.08Å; T35-F38 WeakPolarHBondContact OG1-CB 3.39Å; T35-F38 PolarHBondContact OG1-O 3.26Å
36D59.3Low56.9Low131 Ų13187.9 Ų87.970%0.70149%0.487SS*.THydrogen-bonded Turntrans-47.4-28.2-165.9-93.1-40.7000116.3R52D36-R52 WeakPolarHBondContact O-CD 3.34Å; D36-R52 PolarHBondContact O-NH1 3.36Å
37N66.3Low58.8Low84 Ų8489 Ų8945%0.44949%0.488SS..THydrogen-bonded Turntrans-125.111.9177.6-55-46.4000113.9T35 V45 L46 R52T35-N37 PolarHBondContact O-N 2.99Å; N37-V45 CarbonylContact O-C 3.55Å; N37-V45 WeakPolarHBondContact O-CA 3.48Å; N37-V45 WeakPolarHBondContact O-CG1 3.41Å; N37-L46 PolarHBondContact O-N 3.24Å; N37-R52 PolarHBondContact OD1-NH1 2.97Å; N37-R52 VanDerWaalsContact OD1-NH1 3.14Å
38F68.1Low60.1Low78 Ų7890.6 Ų90.634%0.34248%0.475SS..EExtended strand (participates in β ladder)trans-146.5125.8-176.3172.7-98.6000112.8T35 K40 G43 V44 V45T35-F38 PolarHBondContact N-O 2.86Å; T35-F38 PolarHBondContact O-N 3.32Å; T35-F38 VanDerWaalsContact O-O 3.08Å; T35-F38 WeakPolarHBondContact OG1-CB 3.39Å; T35-F38 PolarHBondContact OG1-O 3.26Å; F38-K40 HydrophobicContact CD1-CG 4.23Å; F38-K40 HydrophobicContact CE1-CB 4.45Å; F38-K40 HydrophobicContact CE1-CG 3.95Å; F38-G43 WeakPolarHBondContact CE2-O 3.26Å; F38-V44 WeakPolarHBondContact CA-O 3.4Å; F38-V44 WeakPolarHBondContact CD2-O 3.33Å; F38-V45 HydrophobicContact CB-CG2 4.49Å; F38-V45 HydrophobicContact CD2-CG2 3.79Å
39C79.8Confident61.6Low0 Ų088.4 Ų88.40%047%0.465CS..EExtended strand (participates in β ladder)trans-91.1121.5175.6177.80000110.7F34 P41 C42 G43 V44 H55F34-C39 HydrophobicContact CD1-CB 3.63Å; F34-C39 HydrophobicContact CE1-CB 3.63Å; F34-C39 WeakPolarHBondContact CE1-SG 3.41Å; C39-P41 VanDerWaalsContact SG-CD 3.54Å; C39-C42 HydrophobicContact CB-CB 4.22Å; C39-C42 VanDerWaalsContact SG-CB 3.58Å; C39-C42 PolarHBondContact SG-N 3.46Å; C39-C42 VanDerWaalsContact SG-N 3.38Å; C39-G43 VanDerWaalsContact O-CA 3.3Å; C39-G43 WeakPolarHBondContact O-CA 3.1Å; C39-G43 PolarHBondContact O-N 3.19Å; C39-V44 PolarHBondContact N-O 3.2Å; C39-V44 VanDerWaalsContact N-O 3.14Å; C39-H55 VanDerWaalsContact SG-CE1 3.51Å
40K64.3Low63Low116 Ų11685 Ų8550%0.50446%0.459SS..THydrogen-bonded Turntrans-71.1-42.6-179.4-57.6176.3-173.2171.40113.5A32 Y33 F38A32-K40 WeakPolarHBondContact O-CD 3.38Å; A32-K40 WeakPolarHBondContact O-CE 3.36Å; A32-K40 PolarHBondContact O-NZ 3.11Å; Y33-K40 WeakPolarHBondContact O-CB 3.16Å; Y33-K40 WeakPolarHBondContact O-CG 3.43Å; Y33-K40 PolarHBondContact O-N 3.41Å; F38-K40 HydrophobicContact CD1-CG 4.23Å; F38-K40 HydrophobicContact CE1-CB 4.45Å; F38-K40 HydrophobicContact CE1-CG 3.95Å
41P67.1Low64.5Low56 Ų5680.8 Ų80.836%0.36444%0.439SS..THydrogen-bonded Turntrans-62.1-52.7174.1-25.232.1000113.9Y33 C39Y33-P41 HydrophobicContact CD1-CG 4.45Å; Y33-P41 WeakPolarHBondContact O-CD 3.38Å; C39-P41 VanDerWaalsContact SG-CD 3.54Å
42C69.6Low65.6Low24 Ų2477.1 Ų77.116%0.16241%0.409CS..THydrogen-bonded Turntrans-81.2-19.8-173.1-71.60000112.1C39 V44 H55 C59C39-C42 HydrophobicContact CB-CB 4.22Å; C39-C42 VanDerWaalsContact SG-CB 3.58Å; C39-C42 PolarHBondContact SG-N 3.46Å; C39-C42 VanDerWaalsContact SG-N 3.38Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.31Å; C42-H55 WeakPolarHBondContact CB-CE1 3.33Å; C42-H55 VanDerWaalsContact CB-NE2 3.28Å; C42-H55 WeakPolarHBondContact CB-NE2 3.12Å; C42-H55 PolarHBondContact SG-CE1 3.23Å; C42-C59 WeakPolarHBondContact CB-SG 3.28Å; C42-C59 WeakPolarHBondContact SG-CB 3.21Å; C42-C59 CovalentContact SG-SG 2.1Å; C42-C59 PolarHBondContact SG-SG 2.8Å
43G65.6Low66.6Low44 Ų4480.3 Ų80.345%0.45442%0.419SS..  trans78.37.2171.200000115.7F38 C39F38-G43 WeakPolarHBondContact CE2-O 3.26Å; C39-G43 VanDerWaalsContact O-CA 3.3Å; C39-G43 WeakPolarHBondContact O-CA 3.1Å; C39-G43 PolarHBondContact O-N 3.19Å
44V66.4Low67.4Low71 Ų7176.6 Ų76.643%0.4341%0.412SS..  trans-100.1141.1-173.3-179.20000111F38 C39 C42 L46F38-V44 WeakPolarHBondContact CA-O 3.4Å; F38-V44 WeakPolarHBondContact CD2-O 3.33Å; C39-V44 PolarHBondContact N-O 3.2Å; C39-V44 VanDerWaalsContact N-O 3.14Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.31Å; V44-L46 HydrophobicContact CG1-CD2 3.77Å; V44-L46 HydrophobicContact CG1-CG 4.36Å
45V72.6Confident68.6Low88 Ų8875.2 Ų75.253%0.53341%0.407SS..BIsolated β-bridgetrans-88.5115.8166.4178.30000108.5N37 F38N37-V45 CarbonylContact O-C 3.55Å; N37-V45 WeakPolarHBondContact O-CA 3.48Å; N37-V45 WeakPolarHBondContact O-CG1 3.41Å; F38-V45 HydrophobicContact CB-CG2 4.49Å; F38-V45 HydrophobicContact CD2-CG2 3.79Å
46L79.4Confident69Low20 Ų2075.5 Ų75.511%0.10540%0.402CS..  trans-100.3119.1-179.6-59.6172000108.5N37 V44 E51 R52 H55N37-L46 PolarHBondContact O-N 3.24Å; V44-L46 HydrophobicContact CG1-CD2 3.77Å; V44-L46 HydrophobicContact CG1-CG 4.36Å; L46-E51 HydrophobicContact CD2-CB 4.34Å; L46-R52 HydrophobicContact CB-CG 3.83Å; L46-R52 HydrophobicContact CD1-CG 4.32Å; L46-H55 HydrophobicContact CD1-CB 3.57Å; L46-H55 VanDerWaalsContact CD1-CG 3.48Å
47Q67.1Low69.3Low157 Ų15776.5 Ų76.573%0.73440%0.402SS*.  trans-92.1-25-170.7-60.9-173.416.700112.4E51Q47-E51 PolarHBondContact N-OE2 3.1Å
48H68.4Low69.1Low108 Ų10875.9 Ų75.950%0.540%0.401SS..SBendtrans-112.7140.7-179.6-62.7-73.2000113.2S50 E51 R52H48-S50 VanDerWaalsContact C-N 3.26Å; H48-S50 PolarHBondContact O-N 3.11Å; H48-E51 HydrophobicContact CB-CG 3.98Å; H48-E51 IonicContact CD2-OE1 2.94Å; H48-E51 IonicContact CD2-OE2 2.6Å; H48-E51 IonicContact CG-OE2 3.85Å; H48-E51 PolarHBondContact N-OE2 3.08Å; H48-E51 WeakPolarHBondContact O-CB 3.26Å; H48-E51 PolarHBondContact O-N 3.46Å; H48-R52 PolarHBondContact O-N 3.06Å
49E65.4Low68.6Low128 Ų12873 Ų7360%0.59839%0.391SS*.Hα-helixtrans-59-34.5-179.4-178.7155.2-117.900113.9E51 R52 I53E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 2.97Å; E49-R52 WeakPolarHBondContact O-CB 3.21Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-R52 IonicContact OE1-NH2 3.03Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.28Å
50S70.6Confident67.4Low88 Ų8877 Ų7762%0.61542%0.419SS*.Hα-helixtrans-64.2-34.917350.90000113.5H48 S54H48-S50 VanDerWaalsContact C-N 3.26Å; H48-S50 PolarHBondContact O-N 3.11Å; S50-S54 PolarHBondContact O-N 3.44Å; S50-S54 PolarHBondContact O-OG 3.39Å
51E66.1Low66.7Low74 Ų7476 Ų7635%0.34643%0.426SS..Hα-helixtrans-73.7-38.3176.8-59.2165.9160.600110.3L46 Q47 H48 E49 S54 H55L46-E51 HydrophobicContact CD2-CB 4.34Å; Q47-E51 PolarHBondContact N-OE2 3.1Å; H48-E51 HydrophobicContact CB-CG 3.98Å; H48-E51 IonicContact CD2-OE1 2.94Å; H48-E51 IonicContact CD2-OE2 2.6Å; H48-E51 IonicContact CG-OE2 3.85Å; H48-E51 PolarHBondContact N-OE2 3.08Å; H48-E51 WeakPolarHBondContact O-CB 3.26Å; H48-E51 PolarHBondContact O-N 3.46Å; E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 2.97Å; E51-S54 PolarHBondContact O-OG 2.89Å; E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 3.02Å
52R72Confident65.7Low47 Ų4776.5 Ų76.518%0.17744%0.442CS..Hα-helixtrans-56.2-54.6172.9-62.3-171.3-55.3-165.74.7110.5D36 N37 L46 H48 E49 S54 H55 F56D36-R52 WeakPolarHBondContact O-CD 3.34Å; D36-R52 PolarHBondContact O-NH1 3.36Å; N37-R52 PolarHBondContact OD1-NH1 2.97Å; N37-R52 VanDerWaalsContact OD1-NH1 3.14Å; L46-R52 HydrophobicContact CB-CG 3.83Å; L46-R52 HydrophobicContact CD1-CG 4.32Å; H48-R52 PolarHBondContact O-N 3.06Å; E49-R52 WeakPolarHBondContact O-CB 3.21Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-R52 IonicContact OE1-NH2 3.03Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; R52-S54 PolarHBondContact O-N 3.32Å; R52-H55 CarbonylContact O-C 3.56Å; R52-H55 PolarHBondContact O-N 3.46Å; R52-F56 HydrophobicContact CB-CD2 4.09Å; R52-F56 HydrophobicContact CB-CE2 4.02Å; R52-F56 WeakPolarHBondContact O-CB 3.25Å; R52-F56 WeakPolarHBondContact O-CD2 3.48Å; R52-F56 PolarHBondContact O-N 3.42Å
53I69.3Low64.5Low109 Ų10984.2 Ų84.256%0.55948%0.475SS*.Hα-helixtrans-59.1-49.2-174.3-66.4162.6000111.6E49 H55 F56 E57E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.28Å; I53-H55 PolarHBondContact O-N 2.84Å; I53-F56 PolarHBondContact O-N 3.25Å; I53-E57 PolarHBondContact O-N 3Å; I53-E57 VanDerWaalsContact O-N 3.12Å
54S68.7Low63.5Low54 Ų5484.8 Ų84.838%0.37847%0.47SS..Hα-helixtrans-66.6-37.2178.458.70000112.8S50 E51 R52 E57 V58S50-S54 PolarHBondContact O-N 3.44Å; S50-S54 PolarHBondContact O-OG 3.39Å; E51-S54 PolarHBondContact O-OG 2.89Å; R52-S54 PolarHBondContact O-N 3.32Å; S54-E57 PolarHBondContact O-N 3.23Å; S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.38Å; S54-V58 VanDerWaalsContact O-N 3.15Å
55H73.6Confident62.3Low29 Ų2985.5 Ų85.513%0.13447%0.471CS..Hα-helixtrans-70.4-33175.9-176.9-61.5000112.4C39 C42 L46 E51 R52 I53 C59C39-H55 VanDerWaalsContact SG-CE1 3.51Å; C42-H55 WeakPolarHBondContact CB-CE1 3.33Å; C42-H55 VanDerWaalsContact CB-NE2 3.28Å; C42-H55 WeakPolarHBondContact CB-NE2 3.12Å; C42-H55 PolarHBondContact SG-CE1 3.23Å; L46-H55 HydrophobicContact CD1-CB 3.57Å; L46-H55 VanDerWaalsContact CD1-CG 3.48Å; E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 3.02Å; R52-H55 CarbonylContact O-C 3.56Å; R52-H55 PolarHBondContact O-N 3.46Å; I53-H55 PolarHBondContact O-N 2.84Å; H55-C59 VanDerWaalsContact CE1-CB 3.5Å; H55-C59 WeakPolarHBondContact CE1-CB 3.41Å; H55-C59 WeakPolarHBondContact O-CB 3.46Å; H55-C59 PolarHBondContact O-N 3.45Å
56F68.3Low61.2Low79 Ų7990.9 Ų90.935%0.34648%0.482SS..Hα-helixtrans-63.8-45.3172.9-87.3-69.9000110.6F34 R52 I53 V58 S60F34-F56 HydrophobicContact CB-CE1 3.57Å; F34-F56 HydrophobicContact CB-CZ 3.66Å; F34-F56 AromaticContact CD1-CD1 3.79Å; F34-F56 HydrophobicContact CD1-CD1 3.79Å; F34-F56 AromaticContact CD1-CE1 3.27Å; F34-F56 HydrophobicContact CD1-CE1 3.27Å; F34-F56 AromaticContact CD1-CZ 3.66Å; F34-F56 HydrophobicContact CD1-CZ 3.66Å; F34-F56 AromaticContact CD2-CD1 3.98Å; F34-F56 HydrophobicContact CD2-CD1 3.98Å; F34-F56 AromaticContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CZ 4.35Å; F34-F56 AromaticContact CE1-CD1 3.62Å; F34-F56 HydrophobicContact CE1-CD1 3.62Å; F34-F56 AromaticContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CG 4.37Å; F34-F56 HydrophobicContact CE1-CZ 4.32Å; F34-F56 AromaticContact CE2-CD1 3.87Å; F34-F56 HydrophobicContact CE2-CD1 3.87Å; F34-F56 AromaticContact CE2-CE1 3.79Å; F34-F56 HydrophobicContact CE2-CE1 3.79Å; F34-F56 AromaticContact CG-CD1 3.97Å; F34-F56 HydrophobicContact CG-CD1 3.97Å; F34-F56 AromaticContact CG-CE1 3.13Å; F34-F56 HydrophobicContact CG-CE1 3.13Å; F34-F56 AromaticContact CG-CZ 3.67Å; F34-F56 HydrophobicContact CG-CZ 3.67Å; F34-F56 AromaticContact CZ-CD1 3.69Å; F34-F56 HydrophobicContact CZ-CD1 3.69Å; F34-F56 AromaticContact CZ-CE1 3.9Å; F34-F56 HydrophobicContact CZ-CE1 3.9Å; R52-F56 HydrophobicContact CB-CD2 4.09Å; R52-F56 HydrophobicContact CB-CE2 4.02Å; R52-F56 WeakPolarHBondContact O-CB 3.25Å; R52-F56 WeakPolarHBondContact O-CD2 3.48Å; R52-F56 PolarHBondContact O-N 3.42Å; I53-F56 PolarHBondContact O-N 3.25Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.26Å; F56-S60 WeakPolarHBondContact O-CB 3.47Å; F56-S60 PolarHBondContact O-N 3.12Å; F56-S60 PolarHBondContact O-OG 3.37Å
57E67.4Low59.5Low152 Ų15296.5 Ų96.571%0.7151%0.512SS*.Hα-helixtrans-60.8-41178.2-165.5169.8-166.200111.8I53 S54I53-E57 PolarHBondContact O-N 3Å; I53-E57 VanDerWaalsContact O-N 3.12Å; S54-E57 PolarHBondContact O-N 3.23Å
58V61.2Low58.3Low72 Ų7293.5 Ų93.544%0.43650%0.501SS..Hα-helixtrans-81.6-47.4-179.7176.90000113.7S54 F56 S60 S61S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.38Å; S54-V58 VanDerWaalsContact O-N 3.15Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.26Å; V58-S60 PolarHBondContact O-N 2.93Å; V58-S60 VanDerWaalsContact O-N 3.09Å; V58-S61 PolarHBondContact O-N 3.46Å; V58-S61 VanDerWaalsContact O-N 3.15Å; V58-S61 PolarHBondContact O-OG 3.37Å
59C57.5Low56.8Low17 Ų1794.4 Ų94.412%0.11550%0.504CS..Hα-helixtrans-71.7-3.5-179-159.20000111.1F34 C42 H55F34-C59 HydrophobicContact CZ-CB 4.33Å; C42-C59 WeakPolarHBondContact CB-SG 3.28Å; C42-C59 WeakPolarHBondContact SG-CB 3.21Å; C42-C59 CovalentContact SG-SG 2.1Å; C42-C59 PolarHBondContact SG-SG 2.8Å; H55-C59 VanDerWaalsContact CE1-CB 3.5Å; H55-C59 WeakPolarHBondContact CE1-CB 3.41Å; H55-C59 WeakPolarHBondContact O-CB 3.46Å; H55-C59 PolarHBondContact O-N 3.45Å
60S54.5Low55.4Low85 Ų8593.6 Ų93.659%0.59451%0.508SS*.THydrogen-bonded Turntrans-91.6-13170.6-600000115.3F56 V58 G62F56-S60 WeakPolarHBondContact O-CB 3.47Å; F56-S60 PolarHBondContact O-N 3.12Å; F56-S60 PolarHBondContact O-OG 3.37Å; V58-S60 PolarHBondContact O-N 2.93Å; V58-S60 VanDerWaalsContact O-N 3.09Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.89Å
61S49.3Very low54Low93 Ų9397.5 Ų97.565%0.6552%0.522SS*.SBendtrans-82.13.9-176.266.90000114.9V58 E63V58-S61 PolarHBondContact O-N 3.46Å; V58-S61 VanDerWaalsContact O-N 3.15Å; V58-S61 PolarHBondContact O-OG 3.37Å; S61-E63 PolarHBondContact O-N 3.29Å
62G45.9Very low52.8Low68 Ų68101.5 Ų101.570%0.70155%0.545SS*.SBendtrans92.9-17.616400000117.1S60S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.89Å
63E45.2Very low51Low185 Ų185106.6 Ų106.686%0.86457%0.57SS**  trans-112.777-178.9-67.9-161.914700113.2S61 N65S61-E63 PolarHBondContact O-N 3.29Å; E63-N65 PolarHBondContact O-N 2.9Å
64V44.2Very low49.8Very low57 Ų57108.9 Ų108.935%0.34558%0.584SS.*  trans-94.688.6175.4-174.80000110.7
65N42Very low48.2Very low85 Ų85113.2 Ų113.246%0.45560%0.6SS.*  trans-81.1120.5164-169.2-23.2000109.7E63 N67 N68E63-N65 PolarHBondContact O-N 2.9Å; N65-N67 PolarHBondContact O-N 2.94Å; N65-N67 PolarHBondContact OD1-N 3.08Å; N65-N68 PolarHBondContact O-N 2.79Å
66R49.1Very low46.3Very low202 Ų202116.4 Ų116.476%0.76263%0.625SS**THydrogen-bonded Turntrans-59-11.7-176.2-85.8-179.2164.9170.4-4.6115.5
67N44.3Very low44.7Very low137 Ų137120 Ų12073%0.73364%0.641SS**THydrogen-bonded Turntrans-101.23-172.8-63.9-5.8000114.6N65N65-N67 PolarHBondContact O-N 2.94Å; N65-N67 PolarHBondContact OD1-N 3.08Å
68N40.4Very low43.6Very low94 Ų94120.4 Ų120.450%0.50365%0.648SS.*SBendtrans-98.51.3-172.2-69.43.9000115N65N65-N68 PolarHBondContact O-N 2.79Å
69F37.9Very low42.5Very low128 Ų128121.3 Ų121.356%0.56166%0.657SS**  trans-104123.2179.6-63.9-81.4000110.8
70T35.3Very low41.7Very low111 Ų111127.3 Ų127.368%0.68169%0.688SS**  trans-122.1124.8168.454.10000108.6L72 H73T70-L72 PolarHBondContact O-N 2.93Å; T70-H73 PolarHBondContact O-N 3.39Å
71D41.6Very low41.3Very low170 Ų170127.7 Ų127.791%0.90970%0.696SS**THydrogen-bonded Turntrans-67.722.7-169.1-61.9-44.2000115.7
72L40.5Very low41.2Very low158 Ų158125.5 Ų125.583%0.82768%0.683SS**THydrogen-bonded Turntrans-124.8-13.3-175.5-72.2172.5000114.8T70T70-L72 PolarHBondContact O-N 2.93Å
73H35.9Very low41Very low153 Ų153126 Ų12671%0.70868%0.681SS**  trans-148.8114.4173.4-92.8-85.1000112.5T70 M75T70-H73 PolarHBondContact O-N 3.39Å; H73-M75 VanDerWaalsContact C-N 3.26Å; H73-M75 PolarHBondContact O-N 3.19Å
74N43.5Very low40.7Very low157 Ų157121.9 Ų121.984%0.8467%0.67SS**  trans-70.978.9164.6-89.2-1000110.4
75M34.8Very low40.7Very low145 Ų145123.4 Ų123.471%0.71468%0.684SS**  trans-146125162.4-66.3-61.2-66.600108.8H73H73-M75 VanDerWaalsContact C-N 3.26Å; H73-M75 PolarHBondContact O-N 3.19Å
76S34Very low41Very low96 Ų96127.3 Ų127.367%0.67170%0.699SS**  trans-88.6151.7174.149.60000111.8
77F33.9Very low40.4Very low155 Ų155128 Ų12868%0.6870%0.703SS**  trans-131132.6171.5-68.3-82.2000109.9S79F77-S79 PolarHBondContact O-N 3.33Å; F77-S79 VanDerWaalsContact O-N 3.1Å
78D43.8Very low40.5Very low161 Ų161128.1 Ų128.186%0.86171%0.708SS**SBendtrans-80.213.9-170.9-54.3-38.9000114.7
79S38Very low40Very low90 Ų90126.9 Ų126.963%0.62972%0.717SS**  trans-164.2138.4177.1-85.40000114.4F77 A81F77-S79 PolarHBondContact O-N 3.33Å; F77-S79 VanDerWaalsContact O-N 3.1Å; S79-A81 PolarHBondContact O-N 3.22Å
80L42Very low40.2Very low144 Ų144130.9 Ų130.975%0.75474%0.735SS**THydrogen-bonded Turntrans-66.4-8.3-175.3-162.665.9000114.8
81A46.2Very low40Very low93 Ų93131 Ų13177%0.76974%0.74SS**THydrogen-bonded Turntrans-84.5-9.8-175.200000115.2S79S79-A81 PolarHBondContact O-N 3.22Å
82A47.5Very low39.6Very low46 Ų46132.3 Ų132.338%0.3874%0.74SS.*SBendtrans-99.1-9.3-169.800000115.7S85A82-S85 PolarHBondContact O-OG 2.9Å
83A40.9Very low38.8Very low79 Ų79129.8 Ų129.865%0.65374%0.735SS**THydrogen-bonded Turntrans-65.4-39.3-174.900000115.4
84P39.8Very low38.9Very low98 Ų98128.4 Ų128.464%0.63674%0.74SS**THydrogen-bonded Turntrans-75.9-26.2-175.8-18.633.3000114.7H86 Y87P84-H86 VanDerWaalsContact C-N 3.33Å; P84-H86 PolarHBondContact O-N 3.43Å; P84-Y87 PolarHBondContact O-N 2.99Å
85S43.9Very low38.2Very low90 Ų90127.9 Ų127.963%0.62974%0.743SS**G310 helixtrans-75.3-18.2-169.852.90000114.1A82 Y87A82-S85 PolarHBondContact O-OG 2.9Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 2.86Å
86H46.9Very low37.7Very low167 Ų167128.7 Ų128.777%0.77375%0.745SS**G310 helixtrans-76-15.6176.6-163.9-85000113.5P84P84-H86 VanDerWaalsContact C-N 3.33Å; P84-H86 PolarHBondContact O-N 3.43Å
87Y36.9Very low37.4Very low217 Ų217130.4 Ų130.485%0.85175%0.747SS**G310 helixtrans-86.2-6.1-177.1-110.4-83.9000115P84 S85P84-Y87 PolarHBondContact O-N 2.99Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 2.86Å
88V46.8Very low37.3Very low138 Ų138132.4 Ų132.484%0.83676%0.758SS**SBendtrans-136.858.8-177.8-163.90000111.5
89G29.2Very low36.5Very low68 Ų68130.9 Ų130.970%0.70176%0.76SS**  trans-140103.2177.900000112.8
90K42.8Very low35.9Very low213 Ų213134.5 Ų134.593%0.92677%0.771SS**  trans-83.4123.8171.6-72.9159.5175.1166.10110.2
91S31.7Very low35.1Very low112 Ų112136.6 Ų136.678%0.78378%0.777SS**  trans-175.7118.1133.447.80000113.6
92H32.4Very low34Very low199 Ų199140.8 Ų140.892%0.92178%0.781SS**  trans-87.4128.7142.4-76.3-87000107.8
93S24.2Very low33.1Very low104 Ų104148 Ų14873%0.72781%0.807SS**  trans-173.7141.2143.349.50000111
94P37.4Very low32.2Very low125 Ų125150.9 Ų150.981%0.81281%0.811SS**  trans-79.8158.5-179.433.8-35.8000113.1
95T28.2Very low31.7Very low146 Ų146153.9 Ų153.990%0.89682%0.816SS**  trans-62.3130.6-175.9-40.30000113.9
96Q25.4Very low30.8Very low162 Ų162156.1 Ų156.176%0.75783%0.826SS**  trans-133.8129.5155.5-146.4-162.5-18.400110.4
97N28.6Very low30Very low132 Ų132153.1 Ų153.171%0.70682%0.824SS**  trans66.3114.7163.8-51.7-28.6000119.6
98Q30.1Very low29.8Very low197 Ų197148.7 Ų148.792%0.92182%0.821SS**  trans-124.3117.1142.5-80.8-175.2-0.600108.6
99S27.1Very low28.8Very low128 Ų128146.9 Ų146.990%0.89582%0.815SS**  trans-178.1129.1132.946.80000108.9
100L25.8Very low28.5Very low167 Ų167149.5 Ų149.587%0.87482%0.818SS**  trans-129.6108.6175.3173.4146.7000105.6
101E24.8Very low27.7Very low188 Ų188145.4 Ų145.488%0.87981%0.814SS**  trans-161.7156.2157.1-143.3152.7143.500111.1
102E24.1Very low27.3Very low180 Ų180145.1 Ų145.184%0.84181%0.812SS**  trans64.192169.1-152178150.900118
103H27.6Very low27.6Very low199 Ų199140.5 Ų140.592%0.92180%0.8SS**  trans-145.7117140.5-105.8-67000110.2
104D23.4Very low27.8Very low139 Ų139144.4 Ų144.474%0.74380%0.804SS**  trans-131.1160.5171.1-159.4-4.3000108.7
105Q28.4Very low27.4Very low161 Ų161145.7 Ų145.775%0.75280%0.801SS**  trans83.4128.2166.1-57.6-78.39.500121.6
106V26.1Very low27.4Very low136 Ų136145.8 Ų145.882%0.82480%0.796SS**  trans87.4117.8155.6-164.20000121.3
107S28.8Very low27.6Very low104 Ų104146.6 Ų146.673%0.72780%0.8SS**  trans-82.8171.2175-36.60000114.8
108P33.5Very low28.3Very low124 Ų124144.2 Ų144.281%0.80579%0.792SS**  -138.6132.3102.435-21.6000112.2
109S25.9Very low28.1Very low101 Ų101141.7 Ų141.771%0.70678%0.784SS**  100.610974.2-169.50000113.4
110T21.7Very low28.2Very low123 Ų123141 Ų14176%0.75577%0.774SS**  trans68.897145.1-45.70000119.6
111C25.5Very low28.4Very low127 Ų127139 Ų13986%0.85877%0.77SS**  -179.7148.789.8-129.10000112.6
112S25.3Very low28.8Very low105 Ų105135.8 Ų135.873%0.73477%0.765SS**  trans-113.6-164.8179.165.10000110
113P38.3Very low29.3Very low102 Ų102131.6 Ų131.666%0.66276%0.761SS**  cis-134.8176.7-14.239.1-22.4000114.6
114K27.5Very low30Very low186 Ų186127.7 Ų127.781%0.80975%0.753SS**  trans146.3140.7138.3-82.3160.3-176.9-1800110.1
115M29.8Very low30.9Very low153 Ų153126.8 Ų126.875%0.75476%0.755SS**  cis-174.1153.7-23.5-96.2-136.4-141.100103.4
116D28.5Very low31.5Very low148 Ų148124.9 Ų124.979%0.79176%0.757SS**  trans75.389.2160-48.6-27.2000120.3
117E29.3Very low31.9Very low179 Ų179128.2 Ų128.284%0.83676%0.76SS**  trans-52.8179.7143.3-102.9-164.796.300114.1
118P42.1Very low32.4Very low82 Ų82131.2 Ų131.253%0.53277%0.767SS.*  cis-138.2-164-31.133-11.7000113.5
119N26.9Very low32.5Very low144 Ų144135 Ų13577%0.7777%0.771SS**  trans82.5137.4158.7-57.8-27.9000118
120T27.8Very low32.9Very low112 Ų112135.6 Ų135.669%0.68778%0.776SS**  cis-163.2137.8-4.7-97.20000111.6
121T30.9Very low33.7Very low126 Ų126135.9 Ų135.977%0.77378%0.777SS**  trans57.3133155.6-58.20000121.9
122P33Very low34.3Very low121 Ų121137.6 Ų137.679%0.78678%0.776SS**  trans-91.5157.6177.737.4-36.3000114.6
123A34.3Very low35.3Very low91 Ų91138.4 Ų138.475%0.75278%0.776SS**  trans-104.6145.6167.900000111.6
124P44Very low35.1Very low117 Ų117142.2 Ų142.276%0.7678%0.782SS**PPolyproline II helixtrans-78.8146.7-177.331.6-35.1000113
125P41.8Very low35.8Very low120 Ų120138.9 Ų138.978%0.77978%0.779SS**PPolyproline II helixtrans-75146.317930.4-34.7000112.8
126P40Very low36.5Very low121 Ų121136.8 Ų136.879%0.78678%0.777SS**PPolyproline II helixtrans-77.3151.5-17430.4-35.6000114.5
127F34.2Very low37.3Very low206 Ų206135 Ų13590%0.90477%0.774SS**PPolyproline II helixtrans-58.3127.5-176.7-66.7-100.6000114.4
128L39.8Very low38.2Very low167 Ų167131.1 Ų131.187%0.87477%0.772SS**PPolyproline II helixtrans-75.1122.5161.4-72174.3000110S130L128-S130 PolarHBondContact O-N 3.12Å
129K36.7Very low38.7Very low204 Ų204137 Ų13789%0.88779%0.785SS**  trans-70.6112.9176.3-67.6175.3179.4175.30110.2V131K129-V131 PolarHBondContact O-N 3.38Å
130S33.5Very low39.8Very low114 Ų114141.7 Ų141.780%0.79779%0.792SS**  trans-67.9125.4172.7-55.20000111L128 I132L128-S130 PolarHBondContact O-N 3.12Å; S130-I132 PolarHBondContact O-N 2.76Å
131V38.4Very low41.5Very low128 Ų128142.4 Ų142.478%0.77679%0.789SS**  trans-66.8126.9174.1174.90000109.7K129 V133K129-V131 PolarHBondContact O-N 3.38Å; V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.04Å
132I38.4Very low43.5Very low164 Ų164145.7 Ų145.784%0.84179%0.787SS**  trans-73.990.9174.9-60.3170.2000108.6S130S130-I132 PolarHBondContact O-N 2.76Å
133V46Very low46.1Very low122 Ų122144.6 Ų144.674%0.73978%0.778SS**PPolyproline II helixtrans-79.1120.1163.5-179.50000107.5V131V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.04Å
134K34Very low48.8Very low182 Ų182143.1 Ų143.179%0.79175%0.754SS**PPolyproline II helixtrans-56.1129.5172.6-83.5177.7171.9175.50109.4
135P41.6Very low51.1Low115 Ų115140.5 Ų140.575%0.74774%0.735SS**PPolyproline II helixtrans-64.3142.417227.2-33.1000110
136P46.2Very low53.6Low109 Ų109135 Ų13571%0.70870%0.699SS**PPolyproline II helixtrans-59.5157.1168.9-18.130.5000110.9A138P136-A138 PolarHBondContact O-N 3.44Å
137P45Very low56.1Low112 Ų112136.9 Ų136.973%0.72770%0.698SS**PPolyproline II helixtrans-57.4136.7179.225.1-34.3000110.7Y139P137-Y139 PolarHBondContact O-N 2.85Å
138A48.2Very low58.9Low96 Ų96130.2 Ų130.279%0.79367%0.671SS**  trans-62.2101.1-176.600000110.9P136 R140P136-A138 PolarHBondContact O-N 3.44Å; A138-R140 PolarHBondContact O-N 3.33Å
139Y51.8Low61.3Low206 Ų206123.1 Ų123.181%0.80864%0.635SS**  trans-56.3111.7164.1-85.8-98.2000107.8P137 M141P137-Y139 PolarHBondContact O-N 2.85Å; Y139-M141 PolarHBondContact O-N 2.93Å
140R49.2Very low63.8Low243 Ų243118.4 Ų118.492%0.91763%0.628SS**  trans-6687.7171.7-68.8-173.6-177.4-133.34.3108.4A138 R142A138-R140 PolarHBondContact O-N 3.33Å; R140-R142 PolarHBondContact O-N 2.77Å; R140-R142 VanDerWaalsContact O-N 3.12Å
141M63.9Low66.6Low127 Ų127116.1 Ų116.163%0.62661%0.606SS**  trans-57.6117.5170.8-64.2-172.476.700107.7Y139 T143Y139-M141 PolarHBondContact O-N 2.93Å; M141-T143 PolarHBondContact O-N 3.28Å; M141-T143 VanDerWaalsContact O-N 3.08Å
142R74.4Confident69.1Low195 Ų195114.8 Ų114.874%0.73660%0.598SS**  trans-66.9110.9176.7-66-172.9-176.7-165.32.1107.9R140 Y144R140-R142 PolarHBondContact O-N 2.77Å; R140-R142 VanDerWaalsContact O-N 3.12Å; R142-Y144 HydrophobicContact CB-CE2 3.93Å; R142-Y144 VanDerWaalsContact O-CD2 3.28Å; R142-Y144 WeakPolarHBondContact O-CD2 3.42Å; R142-Y144 WeakPolarHBondContact O-CE2 3.47Å
143T86.3Confident71.7Confident97 Ų97108 Ų10860%0.59556%0.563SS**  trans-80.9131.4171.843.90000109.2M141 F153M141-T143 PolarHBondContact O-N 3.28Å; M141-T143 VanDerWaalsContact O-N 3.08Å; T143-F153 WeakPolarHBondContact CA-O 3.14Å
144Y90.4Very high73.7Confident61 Ų61106.8 Ų106.824%0.23956%0.555CS.*EExtended strand (participates in β ladder)trans-108.5131175.6-58.8-89.8000108.1R142 T152 F153 L156 F159R142-Y144 HydrophobicContact CB-CE2 3.93Å; R142-Y144 VanDerWaalsContact O-CD2 3.28Å; R142-Y144 WeakPolarHBondContact O-CD2 3.42Å; R142-Y144 WeakPolarHBondContact O-CE2 3.47Å; Y144-T152 CarbonylContact O-C 3.54Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; Y144-F153 PolarHBondContact N-O 3.35Å; Y144-F153 PolarHBondContact O-N 3.24Å; Y144-L156 HydrophobicContact CD2-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CD1 4.01Å; Y144-L156 HydrophobicContact CE1-CG 4.4Å; Y144-L156 HydrophobicContact CE2-CB 3.69Å; Y144-F159 HydrophobicContact CG-CB 4.32Å; Y144-F159 HydrophobicContact CG-CG 4.43Å
145V92.8Very high76.3Confident61 Ų61100.4 Ų100.437%0.3753%0.534SS..EExtended strand (participates in β ladder)trans-115.5129.9-176.8-170.80000109.3T152V145-T152 HydrophobicContact CG1-CG2 4.25Å; V145-T152 HydrophobicContact CG2-CG2 4.05Å
146C95.1Very high78.7Confident4 Ų498.2 Ų98.23%0.02752%0.515CS..EExtended strand (participates in β ladder)trans-94.2107.3169.3177.20000109.5I148 C149 S150 I151 F153 F159 H162 H168C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 PolarHBondContact O-N 3.42Å; C146-C149 HydrophobicContact CB-CB 4.4Å; C146-C149 PolarHBondContact O-N 3.42Å; C146-S150 VanDerWaalsContact O-CA 3.25Å; C146-S150 WeakPolarHBondContact O-CA 3.34Å; C146-S150 PolarHBondContact O-N 2.8Å; C146-I151 PolarHBondContact N-O 3.45Å; C146-I151 PolarHBondContact O-N 3.02Å; C146-F153 HydrophobicContact CB-CE2 4.13Å; C146-F159 HydrophobicContact CB-CE2 3.98Å; C146-H162 PolarHBondContact SG-NE2 3.2Å; C146-H168 PolarHBondContact SG-CE1 2.95Å; C146-H168 PolarHBondContact SG-ND1 3.28Å
147H92.1Very high80.8Confident162 Ų16299.1 Ų99.175%0.7551%0.51SS*.THydrogen-bonded Turntrans-69.8-22-178.6-59.8-74.7000114
148I92.2Very high83Confident65 Ų6599 Ų9933%0.33350%0.501SS..THydrogen-bonded Turntrans-76.6-31.6177.2-58.3-175.3000111.6C146 K171 E172C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 PolarHBondContact O-N 3.42Å; I148-K171 HydrophobicContact CG2-CB 3.87Å; I148-E172 HydrophobicContact CD1-CB 3.89Å; I148-E172 HydrophobicContact CD1-CG 3.87Å; I148-E172 HydrophobicContact CG2-CB 4.32Å
149C91.5Very high85.2Confident18 Ų1896.8 Ų96.812%0.12247%0.474CS..THydrogen-bonded Turntrans-108.2-10.2-177.4-65.40000113.6C146 I151 H162 H168C146-C149 HydrophobicContact CB-CB 4.4Å; C146-C149 PolarHBondContact O-N 3.42Å; C149-I151 HydrophobicContact CB-CD1 4Å; C149-I151 HydrophobicContact CB-CG1 3.88Å; C149-I151 WeakPolarHBondContact O-CG1 3.36Å; C149-I151 PolarHBondContact O-N 3.16Å; C149-H162 WeakPolarHBondContact CB-NE2 3.48Å; C149-H162 PolarHBondContact SG-CE1 3.4Å; C149-H162 PolarHBondContact SG-NE2 3.47Å; C149-H168 PolarHBondContact SG-ND1 3.49Å
150S88.9Confident87.1Confident106 Ų10694.4 Ų94.474%0.74146%0.463SS*.THydrogen-bonded Turntrans52.437.2-170.2-56.20000114C146C146-S150 VanDerWaalsContact O-CA 3.25Å; C146-S150 WeakPolarHBondContact O-CA 3.34Å; C146-S150 PolarHBondContact O-N 2.8Å
151I91.4Very high89.3Confident66 Ų6685.6 Ų85.634%0.33844%0.439SS..EExtended strand (participates in β ladder)trans-107134.1179.2-53179.1000109.8C146 C149 F153C146-I151 PolarHBondContact N-O 3.45Å; C146-I151 PolarHBondContact O-N 3.02Å; C149-I151 HydrophobicContact CB-CD1 4Å; C149-I151 HydrophobicContact CB-CG1 3.88Å; C149-I151 WeakPolarHBondContact O-CG1 3.36Å; C149-I151 PolarHBondContact O-N 3.16Å; I151-F153 HydrophobicContact CB-CE2 3.78Å; I151-F153 HydrophobicContact CB-CZ 3.8Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.86Å; I151-F153 HydrophobicContact CG2-CE2 3.66Å; I151-F153 HydrophobicContact CG2-CZ 3.36Å; I151-F153 WeakPolarHBondContact O-CE2 3.44Å
152T92.2Very high90.7Very high99 Ų9980.8 Ų80.861%0.60742%0.415SS*.EExtended strand (participates in β ladder)trans-99.2141.617461.70000110.9Y144 V145Y144-T152 CarbonylContact O-C 3.54Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; V145-T152 HydrophobicContact CG1-CG2 4.25Å; V145-T152 HydrophobicContact CG2-CG2 4.05Å
153F92.1Very high91.5Very high23 Ų2375 Ų7510%0.10140%0.397CS..EExtended strand (participates in β ladder)trans-129.2131-177.5-59.7-86000110.2T143 Y144 C146 I151 S155 M158 F159 H162T143-F153 WeakPolarHBondContact CA-O 3.14Å; Y144-F153 PolarHBondContact N-O 3.35Å; Y144-F153 PolarHBondContact O-N 3.24Å; C146-F153 HydrophobicContact CB-CE2 4.13Å; I151-F153 HydrophobicContact CB-CE2 3.78Å; I151-F153 HydrophobicContact CB-CZ 3.8Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.86Å; I151-F153 HydrophobicContact CG2-CE2 3.66Å; I151-F153 HydrophobicContact CG2-CZ 3.36Å; I151-F153 WeakPolarHBondContact O-CE2 3.44Å; F153-S155 VanDerWaalsContact C-N 3.28Å; F153-M158 HydrophobicContact CB-CB 4.44Å; F153-M158 HydrophobicContact CD1-CB 3.77Å; F153-M158 HydrophobicContact CG-CB 4.46Å; F153-F159 HydrophobicContact CB-CB 4.17Å; F153-F159 HydrophobicContact CD2-CB 4.18Å; F153-F159 AromaticContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CG 4.47Å; F153-F159 HydrophobicContact CE2-CD2 4.14Å; F153-F159 HydrophobicContact CG-CB 4.21Å; F153-H162 HydrophobicContact CE1-CB 3.89Å; F153-H162 HydrophobicContact CE2-CB 4Å; F153-H162 AromaticContact CE2-CD2 3.77Å; F153-H162 AromaticContact CE2-CG 3.76Å; F153-H162 HydrophobicContact CZ-CB 3.42Å; F153-H162 VanDerWaalsContact CZ-CB 3.42Å; F153-H162 AromaticContact CZ-CD2 3.76Å; F153-H162 AromaticContact CZ-CG 3.28Å; F153-H162 AromaticContact CZ-ND1 3.6Å
154T88.7Confident91.8Very high95 Ų9578 Ų7858%0.58340%0.404SS*.SBendtrans-83.6-3.1176.452.80000113.4
155S88.9Confident91.9Very high49 Ų4976.3 Ų76.334%0.34341%0.405SS..SBendtrans-138.5134.8-179.5173.40000111.4F153 H157 M158 F159F153-S155 VanDerWaalsContact C-N 3.28Å; S155-H157 PolarHBondContact O-N 2.95Å; S155-H157 PolarHBondContact OG-N 3.21Å; S155-M158 PolarHBondContact O-N 3.24Å; S155-F159 PolarHBondContact O-N 2.87Å; S155-F159 VanDerWaalsContact O-N 3.16Å
156L90.5Very high91.8Very high68 Ų6878 Ų7836%0.35642%0.415SS..Hα-helixtrans-61.2-33176.2-179.8148.9000112.2Y144 F159 R160Y144-L156 HydrophobicContact CD2-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CD1 4.01Å; Y144-L156 HydrophobicContact CE1-CG 4.4Å; Y144-L156 HydrophobicContact CE2-CB 3.69Å; L156-F159 PolarHBondContact O-N 3Å; L156-R160 HydrophobicContact CD2-CG 4.24Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 3.1Å
157H91.5Very high91.6Very high129 Ų12984.2 Ų84.260%0.59744%0.444SS*.Hα-helixtrans-64.3-46.5176.7-175.5-79.8000111.1S155 F159 R160 S161S155-H157 PolarHBondContact O-N 2.95Å; S155-H157 PolarHBondContact OG-N 3.21Å; H157-F159 VanDerWaalsContact C-N 3.32Å; H157-F159 PolarHBondContact O-N 3.21Å; H157-R160 PolarHBondContact O-N 3.39Å; H157-S161 PolarHBondContact O-N 2.97Å; H157-S161 PolarHBondContact O-OG 2.79Å
158M90.4Very high91.6Very high110 Ų11076.6 Ų76.654%0.54241%0.409SS..Hα-helixtrans-61.2-41.1176.9-67.8-68.4-69.500111.7F153 S155 S161 H162F153-M158 HydrophobicContact CB-CB 4.44Å; F153-M158 HydrophobicContact CD1-CB 3.77Å; F153-M158 HydrophobicContact CG-CB 4.46Å; S155-M158 PolarHBondContact O-N 3.24Å; M158-S161 PolarHBondContact O-N 2.86Å; M158-H162 WeakPolarHBondContact O-CB 3.2Å; M158-H162 PolarHBondContact O-N 3.25Å
159F94Very high91.5Very high49 Ų4979.3 Ų79.322%0.21542%0.42CS..Hα-helixtrans-63.4-44.2175179.5-102.9000112.3Y144 C146 F153 S155 L156 H157 H162 M163Y144-F159 HydrophobicContact CG-CB 4.32Å; Y144-F159 HydrophobicContact CG-CG 4.43Å; C146-F159 HydrophobicContact CB-CE2 3.98Å; F153-F159 HydrophobicContact CB-CB 4.17Å; F153-F159 HydrophobicContact CD2-CB 4.18Å; F153-F159 AromaticContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CG 4.47Å; F153-F159 HydrophobicContact CE2-CD2 4.14Å; F153-F159 HydrophobicContact CG-CB 4.21Å; S155-F159 PolarHBondContact O-N 2.87Å; S155-F159 VanDerWaalsContact O-N 3.16Å; L156-F159 PolarHBondContact O-N 3Å; H157-F159 VanDerWaalsContact C-N 3.32Å; H157-F159 PolarHBondContact O-N 3.21Å; F159-H162 WeakPolarHBondContact O-CB 3.43Å; F159-H162 PolarHBondContact O-N 3.09Å; F159-M163 HydrophobicContact CD1-CG 4.3Å; F159-M163 HydrophobicContact CE1-CG 3.9Å; F159-M163 HydrophobicContact CE1-SD 4.45Å; F159-M163 HydrophobicContact CE2-CG 4.22Å; F159-M163 HydrophobicContact CE2-SD 4.07Å; F159-M163 HydrophobicContact CZ-CG 3.86Å; F159-M163 HydrophobicContact CZ-SD 3.83Å; F159-M163 WeakPolarHBondContact O-CG 3.3Å; F159-M163 PolarHBondContact O-N 3.39Å
160R93.1Very high91.5Very high156 Ų15683.7 Ų83.759%0.58944%0.441SS*.Hα-helixtrans-60.4-46.4175.1-76.1-177176.7173.62.2112.1L156 H157 H162 M163 Q164L156-R160 HydrophobicContact CD2-CG 4.24Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 3.1Å; H157-R160 PolarHBondContact O-N 3.39Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.96Å; R160-M163 PolarHBondContact O-N 2.76Å; R160-Q164 WeakPolarHBondContact O-CG 3.36Å; R160-Q164 PolarHBondContact O-N 3.5Å
161S94.1Very high91.6Very high58 Ų5883 Ų8341%0.40643%0.425SS..Hα-helixtrans-63.5-34.3175.6-57.80000112.4H157 M158 Q164 G165H157-S161 PolarHBondContact O-N 2.97Å; H157-S161 PolarHBondContact O-OG 2.79Å; M158-S161 PolarHBondContact O-N 2.86Å; S161-Q164 PolarHBondContact O-N 3.47Å; S161-G165 PolarHBondContact O-N 3.4Å; S161-G165 VanDerWaalsContact O-N 3.11Å
162H94.6Very high91.6Very high25 Ų2583.3 Ų83.312%0.11643%0.425CS..Hα-helixtrans-65.7-47.7174.5174.174.3000112.5C146 C149 F153 M158 F159 R160 Q164 G165 H168C146-H162 PolarHBondContact SG-NE2 3.2Å; C149-H162 WeakPolarHBondContact CB-NE2 3.48Å; C149-H162 PolarHBondContact SG-CE1 3.4Å; C149-H162 PolarHBondContact SG-NE2 3.47Å; F153-H162 HydrophobicContact CE1-CB 3.89Å; F153-H162 HydrophobicContact CE2-CB 4Å; F153-H162 AromaticContact CE2-CD2 3.77Å; F153-H162 AromaticContact CE2-CG 3.76Å; F153-H162 HydrophobicContact CZ-CB 3.42Å; F153-H162 VanDerWaalsContact CZ-CB 3.42Å; F153-H162 AromaticContact CZ-CD2 3.76Å; F153-H162 AromaticContact CZ-CG 3.28Å; F153-H162 AromaticContact CZ-ND1 3.6Å; M158-H162 WeakPolarHBondContact O-CB 3.2Å; M158-H162 PolarHBondContact O-N 3.25Å; F159-H162 WeakPolarHBondContact O-CB 3.43Å; F159-H162 PolarHBondContact O-N 3.09Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.96Å; H162-Q164 PolarHBondContact O-N 3.36Å; H162-G165 WeakPolarHBondContact O-CA 3.38Å; H162-G165 PolarHBondContact O-N 2.9Å; H162-H168 AromaticContact CD2-ND1 3.84Å; H162-H168 AromaticContact NE2-CG 3.94Å; H162-H168 AromaticContact NE2-ND1 3.35Å; H162-H168 PolarHBondContact NE2-ND1 3.37Å; H162-H168 WeakPolarHBondContact O-CB 3.49Å
163M90.9Very high91.4Very high73 Ų7381.1 Ų81.136%0.3641%0.413SS..Hα-helixtrans-60-32.1177.6-68.2-60.8-57.300112.4F159 R160 G165 H168F159-M163 HydrophobicContact CD1-CG 4.3Å; F159-M163 HydrophobicContact CE1-CG 3.9Å; F159-M163 HydrophobicContact CE1-SD 4.45Å; F159-M163 HydrophobicContact CE2-CG 4.22Å; F159-M163 HydrophobicContact CE2-SD 4.07Å; F159-M163 HydrophobicContact CZ-CG 3.86Å; F159-M163 HydrophobicContact CZ-SD 3.83Å; F159-M163 WeakPolarHBondContact O-CG 3.3Å; F159-M163 PolarHBondContact O-N 3.39Å; R160-M163 PolarHBondContact O-N 2.76Å; M163-G165 VanDerWaalsContact C-N 3.32Å; M163-H168 WeakPolarHBondContact CE-NE2 3.36Å; M163-H168 PolarHBondContact O-CD2 3.17Å; M163-H168 PolarHBondContact SD-CE1 3.42Å
164Q91.6Very high91.4Very high162 Ų16285.4 Ų85.476%0.75743%0.434SS*.THydrogen-bonded Turntrans-85.1-3.9174.9-64.9173.42.700113.3R160 S161 H162R160-Q164 WeakPolarHBondContact O-CG 3.36Å; R160-Q164 PolarHBondContact O-N 3.5Å; S161-Q164 PolarHBondContact O-N 3.47Å; H162-Q164 PolarHBondContact O-N 3.36Å
165G93.7Very high91.4Very high24 Ų2484.2 Ų84.225%0.24743%0.426CS..SBendtrans-75.9141.3-178.300000112.5S161 H162 M163 E167 H168 Q169S161-G165 PolarHBondContact O-N 3.4Å; S161-G165 VanDerWaalsContact O-N 3.11Å; H162-G165 WeakPolarHBondContact O-CA 3.38Å; H162-G165 PolarHBondContact O-N 2.9Å; M163-G165 VanDerWaalsContact C-N 3.32Å; G165-E167 VanDerWaalsContact C-N 3.25Å; G165-E167 PolarHBondContact O-N 2.87Å; G165-H168 PolarHBondContact O-N 2.9Å; G165-H168 VanDerWaalsContact O-N 3.1Å; G165-Q169 PolarHBondContact O-N 3.3Å
166T90.7Very high91.5Very high97 Ų9785.2 Ų85.260%0.59543%0.427SS*.Hα-helixtrans-58.5-35.4179.550.90000112.7Q169 I170T166-Q169 PolarHBondContact O-N 3.21Å; T166-I170 WeakPolarHBondContact O-CB 3.28Å; T166-I170 WeakPolarHBondContact O-CD1 3.45Å; T166-I170 WeakPolarHBondContact O-CG1 3.2Å; T166-I170 PolarHBondContact O-N 3.46Å
167E90Very high91.4Very high135 Ų13585.9 Ų85.963%0.63143%0.431SS*.Hα-helixtrans-63.4-40.7176.2-62.1-170.7163.300112.9G165 K171G165-E167 VanDerWaalsContact C-N 3.25Å; G165-E167 PolarHBondContact O-N 2.87Å; E167-K171 WeakPolarHBondContact O-CG 3.44Å; E167-K171 PolarHBondContact O-N 3.11Å
168H93.5Very high91.1Very high1 Ų184.9 Ų84.91%0.00543%0.426CS..Hα-helixtrans-66.6-50.2175.4178.483.8000110.1C146 C149 H162 M163 G165 I170 K171 E172C146-H168 PolarHBondContact SG-CE1 2.95Å; C146-H168 PolarHBondContact SG-ND1 3.28Å; C149-H168 PolarHBondContact SG-ND1 3.49Å; H162-H168 AromaticContact CD2-ND1 3.84Å; H162-H168 AromaticContact NE2-CG 3.94Å; H162-H168 AromaticContact NE2-ND1 3.35Å; H162-H168 PolarHBondContact NE2-ND1 3.37Å; H162-H168 WeakPolarHBondContact O-CB 3.49Å; M163-H168 WeakPolarHBondContact CE-NE2 3.36Å; M163-H168 PolarHBondContact O-CD2 3.17Å; M163-H168 PolarHBondContact SD-CE1 3.42Å; G165-H168 PolarHBondContact O-N 2.9Å; G165-H168 VanDerWaalsContact O-N 3.1Å; H168-I170 VanDerWaalsContact C-N 3.29Å; H168-I170 PolarHBondContact O-N 2.6Å; H168-K171 PolarHBondContact O-N 2.87Å; H168-K171 VanDerWaalsContact O-N 3.1Å; H168-E172 WeakPolarHBondContact O-CB 3.25Å; H168-E172 PolarHBondContact O-N 2.67Å
169Q89.6Confident90.9Very high122 Ų12283.9 Ų83.957%0.5743%0.426SS*.Hα-helixtrans-59.5-37.7-179.8-170.6177.352.600112.7G165 T166 S173G165-Q169 PolarHBondContact O-N 3.3Å; T166-Q169 PolarHBondContact O-N 3.21Å; Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 3.34Å; Q169-S173 PolarHBondContact O-OG 2.89Å
170I91.6Very high90.4Very high111 Ų11187.7 Ų87.757%0.56944%0.443SS*.Hα-helixtrans-64.5-48.9174.1-71.2163000110.4T166 H168 S173 H174T166-I170 WeakPolarHBondContact O-CB 3.28Å; T166-I170 WeakPolarHBondContact O-CD1 3.45Å; T166-I170 WeakPolarHBondContact O-CG1 3.2Å; T166-I170 PolarHBondContact O-N 3.46Å; H168-I170 VanDerWaalsContact C-N 3.29Å; H168-I170 PolarHBondContact O-N 2.6Å; I170-S173 PolarHBondContact O-N 3.24Å; I170-S173 PolarHBondContact O-OG 3.34Å; I170-H174 PolarHBondContact O-N 3.42Å
171K90.1Very high89.5Confident92 Ų9285 Ų8540%0.444%0.44SS..Hα-helixtrans-63-44178.6-72.2171.8178.2179.10112.1I148 E167 H168 H174 V175I148-K171 HydrophobicContact CG2-CB 3.87Å; E167-K171 WeakPolarHBondContact O-CG 3.44Å; E167-K171 PolarHBondContact O-N 3.11Å; H168-K171 PolarHBondContact O-N 2.87Å; H168-K171 VanDerWaalsContact O-N 3.1Å; K171-H174 WeakPolarHBondContact O-CB 3.4Å; K171-H174 PolarHBondContact O-N 3.16Å; K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 3.03Å
172E91.1Very high88.5Confident71 Ų7185.5 Ų85.533%0.33244%0.444SS..Hα-helixtrans-57-50.1173.5179-174.7-154.600110.9I148 H168 H174 V175 I176I148-E172 HydrophobicContact CD1-CB 3.89Å; I148-E172 HydrophobicContact CD1-CG 3.87Å; I148-E172 HydrophobicContact CG2-CB 4.32Å; H168-E172 WeakPolarHBondContact O-CB 3.25Å; H168-E172 PolarHBondContact O-N 2.67Å; E172-H174 PolarHBondContact O-N 3.01Å; E172-V175 PolarHBondContact O-N 3.05Å; E172-I176 HydrophobicContact CG-CD1 3.72Å; E172-I176 HydrophobicContact CG-CG1 4.42Å; E172-I176 WeakPolarHBondContact O-CB 3.44Å; E172-I176 WeakPolarHBondContact O-CG1 3.16Å; E172-I176 PolarHBondContact O-N 3.41Å
173S88.9Confident87.9Confident53 Ų5390 Ų9037%0.37146%0.463SS..Hα-helixtrans-60-34.9178.479.70000112.5Q169 I170 N177Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 3.34Å; Q169-S173 PolarHBondContact O-OG 2.89Å; I170-S173 PolarHBondContact O-N 3.24Å; I170-S173 PolarHBondContact O-OG 3.34Å; S173-N177 VanDerWaalsContact O-CB 3.25Å; S173-N177 WeakPolarHBondContact O-CB 3.47Å; S173-N177 PolarHBondContact O-N 3.38Å; S173-N177 PolarHBondContact O-ND2 2.86Å
174H91.1Very high87.1Confident113 Ų11393.6 Ų93.652%0.52348%0.476SS..Hα-helixtrans-67.7-46.9176.9-178.1-113.3000111.7I170 K171 E172 N177 Q178I170-H174 PolarHBondContact O-N 3.42Å; K171-H174 WeakPolarHBondContact O-CB 3.4Å; K171-H174 PolarHBondContact O-N 3.16Å; E172-H174 PolarHBondContact O-N 3.01Å; H174-N177 PolarHBondContact O-N 3.38Å; H174-Q178 PolarHBondContact CE1-NE2 3.3Å; H174-Q178 PolarHBondContact NE2-NE2 2.6Å; H174-Q178 WeakPolarHBondContact O-CG 3.42Å; H174-Q178 PolarHBondContact O-N 3.14Å
175V90.4Very high85.8Confident70 Ų7092.1 Ų92.142%0.42447%0.471SS..Hα-helixtrans-60.1-48.2174.5176.50000110.8K171 E172 N177 Q178 V179K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 3.03Å; E172-V175 PolarHBondContact O-N 3.05Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.84Å; V175-Q178 PolarHBondContact O-N 2.92Å; V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.92Å
176I90.1Very high84.5Confident70 Ų7096.9 Ų96.936%0.35949%0.487SS..Hα-helixtrans-59.9-39.5177.9-69.3172.7000111.4E172 K180E172-I176 HydrophobicContact CG-CD1 3.72Å; E172-I176 HydrophobicContact CG-CG1 4.42Å; E172-I176 WeakPolarHBondContact O-CB 3.44Å; E172-I176 WeakPolarHBondContact O-CG1 3.16Å; E172-I176 PolarHBondContact O-N 3.41Å; I176-K180 HydrophobicContact CG2-CD 3.94Å; I176-K180 VanDerWaalsContact CG2-CE 3.43Å; I176-K180 WeakPolarHBondContact O-CB 3.36Å; I176-K180 VanDerWaalsContact O-CG 3.27Å; I176-K180 WeakPolarHBondContact O-CG 3.46Å; I176-K180 PolarHBondContact O-N 3.01Å
177N88.3Confident83.4Confident82 Ų8297 Ų9744%0.43948%0.481SS..Hα-helixtrans-70.8-35.7178.1-73.4-25.9000112.4S173 H174 V175 K180 N181S173-N177 VanDerWaalsContact O-CB 3.25Å; S173-N177 WeakPolarHBondContact O-CB 3.47Å; S173-N177 PolarHBondContact O-N 3.38Å; S173-N177 PolarHBondContact O-ND2 2.86Å; H174-N177 PolarHBondContact O-N 3.38Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.84Å; N177-K180 PolarHBondContact O-N 3.36Å; N177-N181 WeakPolarHBondContact O-CB 3.38Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.14Å
178Q85.3Confident82.4Confident108 Ų10893.2 Ų93.251%0.50547%0.469SS..Hα-helixtrans-62-48.5171.8-72.9-174.86.200111.5H174 V175 K180 N181 S182H174-Q178 PolarHBondContact CE1-NE2 3.3Å; H174-Q178 PolarHBondContact NE2-NE2 2.6Å; H174-Q178 WeakPolarHBondContact O-CG 3.42Å; H174-Q178 PolarHBondContact O-N 3.14Å; V175-Q178 PolarHBondContact O-N 2.92Å; Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.38Å; Q178-N181 PolarHBondContact O-N 3.34Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; Q178-S182 PolarHBondContact O-N 2.98Å; Q178-S182 PolarHBondContact O-OG 2.79Å
179V86.4Confident80.6Confident90 Ų9096.9 Ų96.955%0.54549%0.494SS..Hα-helixtrans-61.4-36.4177.6175.70000112.1V175 S182 K183V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.92Å; V179-S182 WeakPolarHBondContact CA-OG 3.2Å; V179-S182 PolarHBondContact O-OG 3.36Å; V179-S182 VanDerWaalsContact O-OG 3.1Å; V179-K183 VanDerWaalsContact O-CB 3.26Å; V179-K183 WeakPolarHBondContact O-CB 3.26Å; V179-K183 PolarHBondContact O-N 2.77Å; V179-K183 VanDerWaalsContact O-N 3.07Å
180K84.3Confident79.2Confident128 Ų12897.2 Ų97.256%0.55750%0.496SS*.Hα-helixtrans-69.4-37.8174.3-74.9169.8-178.7171.70112.7I176 N177 Q178 K184I176-K180 HydrophobicContact CG2-CD 3.94Å; I176-K180 VanDerWaalsContact CG2-CE 3.43Å; I176-K180 WeakPolarHBondContact O-CB 3.36Å; I176-K180 VanDerWaalsContact O-CG 3.27Å; I176-K180 WeakPolarHBondContact O-CG 3.46Å; I176-K180 PolarHBondContact O-N 3.01Å; N177-K180 PolarHBondContact O-N 3.36Å; Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.38Å; K180-K184 WeakPolarHBondContact O-CB 2.91Å; K180-K184 PolarHBondContact O-N 3.45Å
181N73.3Confident77.7Confident100 Ų10095 Ų9554%0.53549%0.494SS..Hα-helixtrans-71.7-43.5178.9-73.4-26.6000111.7N177 Q178 K184 M185N177-N181 WeakPolarHBondContact O-CB 3.38Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.14Å; Q178-N181 PolarHBondContact O-N 3.34Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; N181-K184 PolarHBondContact O-N 3.27Å; N181-M185 WeakPolarHBondContact O-CG 3.5Å; N181-M185 PolarHBondContact O-N 3.22Å
182S73.9Confident76.2Confident69 Ų6997.1 Ų97.148%0.48351%0.505SS..Hα-helixtrans-62.9-44.3174.756.70000111.5Q178 V179 K184 M185 Q186Q178-S182 PolarHBondContact O-N 2.98Å; Q178-S182 PolarHBondContact O-OG 2.79Å; V179-S182 WeakPolarHBondContact CA-OG 3.2Å; V179-S182 PolarHBondContact O-OG 3.36Å; V179-S182 VanDerWaalsContact O-OG 3.1Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.35Å; S182-M185 PolarHBondContact O-N 3.29Å; S182-Q186 WeakPolarHBondContact O-CB 3.45Å; S182-Q186 PolarHBondContact O-N 3.42Å
183K80.8Confident74.5Confident118 Ų11897 Ų9751%0.51351%0.512SS..Hα-helixtrans-58.6-41.9172.6178.9164.6176.31640112.5V179 M185 Q186 E187V179-K183 VanDerWaalsContact O-CB 3.26Å; V179-K183 WeakPolarHBondContact O-CB 3.26Å; V179-K183 PolarHBondContact O-N 2.77Å; V179-K183 VanDerWaalsContact O-N 3.07Å; K183-M185 VanDerWaalsContact C-N 3.35Å; K183-M185 PolarHBondContact O-N 3.33Å; K183-Q186 WeakPolarHBondContact O-CB 3.45Å; K183-Q186 PolarHBondContact O-N 3.45Å; K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 HydrophobicContact CG-CG 4.42Å; K183-E187 IonicContact NZ-OE1 3.55Å; K183-E187 WeakPolarHBondContact O-CB 3.17Å; K183-E187 WeakPolarHBondContact O-CG 3.06Å; K183-E187 PolarHBondContact O-N 3.1Å
184K73.6Confident73.1Confident149 Ų14996.3 Ų96.365%0.64851%0.512SS*.Hα-helixtrans-64.9-37.1176.9-173.4-178.7177-171.50112.6K180 N181 S182 S188K180-K184 WeakPolarHBondContact O-CB 2.91Å; K180-K184 PolarHBondContact O-N 3.45Å; N181-K184 PolarHBondContact O-N 3.27Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.35Å; K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 PolarHBondContact O-OG 3.46Å
185M64.4Low71.5Confident131 Ų13196 Ų9665%0.64552%0.515SS*.Hα-helixtrans-67.6-40.6173.6-70.217765.900111.5N181 S182 K183 S188 C189N181-M185 WeakPolarHBondContact O-CG 3.5Å; N181-M185 PolarHBondContact O-N 3.22Å; S182-M185 PolarHBondContact O-N 3.29Å; K183-M185 VanDerWaalsContact C-N 3.35Å; K183-M185 PolarHBondContact O-N 3.33Å; M185-S188 WeakPolarHBondContact CA-OG 3.36Å; M185-S188 PolarHBondContact O-N 3.37Å; M185-S188 PolarHBondContact O-OG 3.1Å; M185-C189 PolarHBondContact O-N 2.76Å; M185-C189 PolarHBondContact O-SG 3Å
186Q66.9Low69.7Low124 Ų12497.5 Ų97.558%0.57952%0.52SS*.Hα-helixtrans-62.2-42.8174.5-168.6178.817.200111.8S182 K183 C189 Q190S182-Q186 WeakPolarHBondContact O-CB 3.45Å; S182-Q186 PolarHBondContact O-N 3.42Å; K183-Q186 WeakPolarHBondContact O-CB 3.45Å; K183-Q186 PolarHBondContact O-N 3.45Å; Q186-C189 PolarHBondContact O-N 3.03Å; Q186-Q190 WeakPolarHBondContact O-CG 3.33Å; Q186-Q190 PolarHBondContact O-N 2.1Å
187E67.3Low68.4Low101 Ų10198.6 Ų98.647%0.47253%0.526SS..Hα-helixtrans-65.5-36.9175.4-74.4173.6179.800112.5K183 A191K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 HydrophobicContact CG-CG 4.42Å; K183-E187 IonicContact NZ-OE1 3.55Å; K183-E187 WeakPolarHBondContact O-CB 3.17Å; K183-E187 WeakPolarHBondContact O-CG 3.06Å; K183-E187 PolarHBondContact O-N 3.1Å; E187-A191 PolarHBondContact O-N 3.25Å
188S70.4Confident66.9Low55 Ų55101.7 Ų101.739%0.38554%0.535SS..Hα-helixtrans-68.2-42.1173.953.80000112.7K184 M185 Q190 A191 E192K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 PolarHBondContact O-OG 3.46Å; M185-S188 WeakPolarHBondContact CA-OG 3.36Å; M185-S188 PolarHBondContact O-N 3.37Å; M185-S188 PolarHBondContact O-OG 3.1Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.48Å; S188-A191 WeakPolarHBondContact O-CB 3.32Å; S188-A191 PolarHBondContact O-N 3.14Å; S188-A191 VanDerWaalsContact O-N 3.16Å; S188-E192 PolarHBondContact O-N 2.96Å; S188-E192 VanDerWaalsContact O-N 3.11Å
189C54.9Low65.5Low78 Ų78103 Ų10353%0.52754%0.543SS..Hα-helixtrans-66.4-32.2177.4-64.50000112.4M185 Q186 C193M185-C189 PolarHBondContact O-N 2.76Å; M185-C189 PolarHBondContact O-SG 3Å; Q186-C189 PolarHBondContact O-N 3.03Å; C189-C193 WeakPolarHBondContact O-CB 3.48Å; C189-C193 PolarHBondContact O-N 2.86Å
190Q59.4Low63.8Low129 Ų129106.6 Ų106.660%0.60355%0.551SS**Hα-helixtrans-69.6-35.7171.4-76.6-175.3-9.800112.9Q186 S188 G194Q186-Q190 WeakPolarHBondContact O-CG 3.33Å; Q186-Q190 PolarHBondContact O-N 2.1Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.48Å; Q190-G194 PolarHBondContact O-N 2.79Å; Q190-G194 VanDerWaalsContact O-N 3.15Å
191A60.9Low62.2Low63 Ų63108.3 Ų108.352%0.52156%0.559SS.*Hα-helixtrans-64.4-44.9176.800000111.8E187 S188 G194E187-A191 PolarHBondContact O-N 3.25Å; S188-A191 WeakPolarHBondContact O-CB 3.32Å; S188-A191 PolarHBondContact O-N 3.14Å; S188-A191 VanDerWaalsContact O-N 3.16Å; A191-G194 PolarHBondContact O-N 3.14Å
192E58.8Low61Low137 Ų137108.1 Ų108.164%0.6457%0.566SS**Hα-helixtrans-63-43.7177.4-69.3174.1175.600111.7S188 G194 D195S188-E192 PolarHBondContact O-N 2.96Å; S188-E192 VanDerWaalsContact O-N 3.11Å; E192-G194 PolarHBondContact O-N 2.78Å; E192-D195 PolarHBondContact O-N 3.04Å
193C55.8Low59.7Low70 Ų70115.6 Ų115.647%0.47358%0.583SS.*Hα-helixtrans-65.8-24.2177.5-162.90000113.5C189 I197C189-C193 WeakPolarHBondContact O-CB 3.48Å; C189-C193 PolarHBondContact O-N 2.86Å; C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 2.96Å
194G59.6Low58.1Low37 Ų37118 Ų11838%0.38160%0.596SS.*Hα-helixtrans-66-34.1175.500000113.9Q190 A191 E192 K198Q190-G194 PolarHBondContact O-N 2.79Å; Q190-G194 VanDerWaalsContact O-N 3.15Å; A191-G194 PolarHBondContact O-N 3.14Å; E192-G194 PolarHBondContact O-N 2.78Å; G194-K198 PolarHBondContact O-N 3.29Å
195D56.8Low56.9Low108 Ų108118.4 Ų118.458%0.57860%0.604SS**Hα-helixtrans-76.4-33.9179.1-79.9-35.9000112.1E192 I197 K198 M199E192-D195 PolarHBondContact O-N 3.04Å; D195-I197 PolarHBondContact O-N 3.24Å; D195-K198 CarbonylContact O-C 3.59Å; D195-K198 WeakPolarHBondContact O-CA 3.29Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 VanDerWaalsContact O-N 3.11Å; D195-M199 PolarHBondContact O-N 2.9Å
196D53.3Low55.4Low101 Ų101118.2 Ų118.254%0.5460%0.602SS.*Hα-helixtrans-63.6-38.5173.9-75.1-31.9000112.8K198 M199 K200D196-K198 VanDerWaalsContact C-N 3.25Å; D196-K198 PolarHBondContact O-N 3.34Å; D196-M199 PolarHBondContact O-N 3.23Å; D196-K200 PolarHBondContact O-N 3.03Å
197I61.6Low53.9Low92 Ų92118.8 Ų118.847%0.47262%0.616SS.*Hα-helixtrans-63.8-35.2174.3-66.6166.9000110.6C193 D195 K201C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 2.96Å; D195-I197 PolarHBondContact O-N 3.24Å; I197-K201 PolarHBondContact O-N 2.92Å; I197-K201 VanDerWaalsContact O-N 3.14Å
198K57.9Low52.4Low148 Ų148121.3 Ų121.364%0.64363%0.626SS**Hα-helixtrans-73.8-31.1177.5-160.4178-178.2-177.90112.4G194 D195 D196 S202G194-K198 PolarHBondContact O-N 3.29Å; D195-K198 CarbonylContact O-C 3.59Å; D195-K198 WeakPolarHBondContact O-CA 3.29Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 VanDerWaalsContact O-N 3.11Å; D196-K198 VanDerWaalsContact C-N 3.25Å; D196-K198 PolarHBondContact O-N 3.34Å; K198-S202 PolarHBondContact O-N 3.32Å; K198-S202 PolarHBondContact O-OG 2.79Å; K198-S202 VanDerWaalsContact O-OG 3.12Å
199M54.9Low51.1Low136 Ų136122.4 Ų122.467%0.6765%0.646SS**Hα-helixtrans-73.9-31.1173.8-163.7175.9-174.700112.7D195 D196 S202D195-M199 PolarHBondContact O-N 2.9Å; D196-M199 PolarHBondContact O-N 3.23Å; M199-S202 PolarHBondContact O-OG 3.2Å
200K51.6Low49.7Very low165 Ų165126.1 Ų126.172%0.71766%0.655SS**Hα-helixtrans-70.5-45.4170.9-75.7177.6177.7172.80112.3D196 S202 R203D196-K200 PolarHBondContact O-N 3.03Å; K200-S202 PolarHBondContact O-N 3.26Å; K200-R203 PolarHBondContact O-N 3.1Å; K200-R203 VanDerWaalsContact O-N 3.07Å
201K50.9Low48.4Very low163 Ų163129.1 Ų129.171%0.70967%0.667SS**Hα-helixtrans-64-20178.8-76.4-179.2175.6179.80114.8I197I197-K201 PolarHBondContact O-N 2.92Å; I197-K201 VanDerWaalsContact O-N 3.14Å
202S46.3Very low47.2Very low97 Ų97136.5 Ų136.568%0.67868%0.681SS**THydrogen-bonded Turntrans-90.9-0.4175.454.50000114.4K198 M199 K200K198-S202 PolarHBondContact O-N 3.32Å; K198-S202 PolarHBondContact O-OG 2.79Å; K198-S202 VanDerWaalsContact O-OG 3.12Å; M199-S202 PolarHBondContact O-OG 3.2Å; K200-S202 PolarHBondContact O-N 3.26Å
203R47.2Very low46.2Very low226 Ų226138.1 Ų138.185%0.85369%0.689SS**SBendtrans-102.1-1.3175-172.9170.4-88.8-144.7-1.7113.5K200K200-R203 PolarHBondContact O-N 3.1Å; K200-R203 VanDerWaalsContact O-N 3.07Å
204E47.3Very low44.9Very low167 Ų167142.9 Ų142.978%0.7871%0.706SS**  trans-10650.8-175.7-159.5172.5-157.200113.4
205L48.1Very low43.8Very low158 Ų158149.2 Ų149.283%0.82773%0.725SS**SBendtrans-137142.7162.9-76.6177.4000110
206E33.1Very low42.7Very low128 Ų128151 Ų15160%0.59874%0.735SS**  trans75.777.3-176.3-58-66.1116.700117.2K208E206-K208 HydrophobicContact CB-CG 4.4Å; E206-K208 PolarHBondContact O-N 3.43Å; E206-K208 IonicContact OE2-NZ 2.61Å; E206-K208 PolarHBondContact OE2-NZ 3.17Å
207P35Very low41.7Very low135 Ų135153.1 Ų153.188%0.87775%0.747SS**  trans-6875.2148.532.8-33.4000109.3G209P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.88Å
208K36.7Very low40.3Very low155 Ų155159.1 Ų159.167%0.67477%0.765SS**  trans-69.393.2168.1-89.5-178172.966.30108.7E206 H210E206-K208 HydrophobicContact CB-CG 4.4Å; E206-K208 PolarHBondContact O-N 3.43Å; E206-K208 IonicContact OE2-NZ 2.61Å; E206-K208 PolarHBondContact OE2-NZ 3.17Å; K208-H210 VanDerWaalsContact C-N 3.27Å; K208-H210 PolarHBondContact O-N 3.3Å
209G42.3Very low39.6Very low78 Ų78159.9 Ų159.980%0.80477%0.773SS**  trans-61.887.1168.900000110.8P207P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.88Å
210H27Very low38.7Very low156 Ų156163.1 Ų163.172%0.72279%0.786SS**  trans-104.293.8172-151.768.3000107.9K208 R212K208-H210 VanDerWaalsContact C-N 3.27Å; K208-H210 PolarHBondContact O-N 3.3Å; H210-R212 PolarHBondContact O-N 3.43Å; H210-R212 VanDerWaalsContact O-N 3.12Å
211F30.6Very low37.8Very low192 Ų192159.2 Ų159.284%0.84279%0.785SS**  trans-57.7115.9166.8-100.8-102.7000108.5
212R36Very low36.8Very low218 Ų218160.5 Ų160.582%0.82379%0.793SS**  trans-114.9107.8150-85.6-174.4174.3-104.50.4106.4H210H210-R212 PolarHBondContact O-N 3.43Å; H210-R212 VanDerWaalsContact O-N 3.12Å
213E37.5Very low36.1Very low171 Ų171160.6 Ų160.680%0.79980%0.799SS**  trans-59.8135.4155.7-70.7170.1132.900107.3
214M29.6Very low35.3Very low169 Ų169158.7 Ų158.783%0.83380%0.8SS**  trans-98.6110.8171.4-168.1145.1-163.500106.9D216M214-D216 PolarHBondContact O-N 3.48Å
215E35.3Very low34.6Very low170 Ų170158.8 Ų158.879%0.79480%0.8SS**  trans-75.891.1-180-67.8169.5119.900109.6N217E215-N217 PolarHBondContact O-N 3.48Å
216D34.2Very low33.7Very low147 Ų147159.4 Ų159.479%0.78679%0.793SS**  trans-70.490.3172.9-75.1-29.1000110.7M214M214-D216 PolarHBondContact O-N 3.48Å
217N31.8Very low33.8Very low145 Ų145161.3 Ų161.378%0.77580%0.795SS**  trans-111.789.8167.5-83.4-56.4000110E215E215-N217 PolarHBondContact O-N 3.48Å
218Y33Very low33.6Very low218 Ų218162.1 Ų162.186%0.85579%0.787SS**  trans-14592.8161.9-148-92.4000113.3
219M42.7Very low33.6Very low164 Ų164163 Ų16381%0.80880%0.796SS**  trans47.196.2146.7-53-62.6-77.400118.4
220E35.7Very low33.3Very low204 Ų204165.3 Ų165.395%0.95379%0.793SS**  trans-130.2147.5138.6-167.2137.9-140.900110.2
221A33.9Very low33.4Very low83 Ų83164.5 Ų164.569%0.68679%0.794SS**  trans-103.5146-156.300000113.9
222Q29.1Very low33.6Very low190 Ų190160.1 Ų160.189%0.88879%0.788SS**  trans61.680.8136-164.8178.212.900118.2
223A32Very low33.7Very low98 Ų98159.5 Ų159.581%0.8179%0.786SS**  trans-152.2127.213800000111.4
224H30.1Very low33.7Very low187 Ų187157.5 Ų157.587%0.86679%0.787SS**  trans-66.1159.3161.9-74.1-128.8000108.4
225E32.2Very low33.8Very low169 Ų169159.2 Ų159.279%0.7978%0.784SS**  -172.1155.151.2-167.1174.116900112.6
226Y30.9Very low33.7Very low170 Ų170159.2 Ų159.267%0.66778%0.784SS**  trans69.1106165.2-114.5-114.8000118.8
227R34.6Very low33.7Very low168 Ų168161.6 Ų161.663%0.63479%0.787SS**  73.6127.788.7-154.1-140.6-99.2-112.47.6112
228E31.2Very low33.6Very low153 Ų153162.7 Ų162.772%0.71579%0.79SS**  cis-149.7159.826.6-157.5147.9-128.700112.1
229M36.4Very low33.3Very low174 Ų174159.2 Ų159.286%0.85779%0.785SS**  trans-85.8157173.3-72.2174.1-85.500111.7
230V35.1Very low32.7Very low125 Ų125160.2 Ų160.276%0.75879%0.788SS**  146.3122.2123.1170.50000113.3
231D30.6Very low32.3Very low139 Ų139158.9 Ų158.974%0.74378%0.782SS**  trans67.898.9153.7-76.5-39000124.7
232S33.3Very low32Very low101 Ų101160.7 Ų160.771%0.70678%0.784SS**  81110.8104-68.90000121.4
233R39.2Very low32Very low205 Ų205159 Ų15977%0.77478%0.781SS**  trans86.4106.6132.9-160.6-173.3-154.5-177.19.9119.2
234P36.3Very low32.5Very low129 Ų129159.7 Ų159.784%0.83878%0.777SS**  trans-92.8138.3152.3-424.1000111.6
235R32.1Very low32.3Very low204 Ų204158.1 Ų158.177%0.7777%0.774SS**  trans-90.6145.9168.5-67.8-173.7-177.9-151.14.6110.9K237R235-K237 PolarHBondContact O-N 3.33Å
236H34.1Very low32Very low170 Ų170157 Ų15779%0.78777%0.769SS**  trans-25114.6160.4179.1-83.6000115.6
237K34.3Very low32Very low197 Ų197154.4 Ų154.486%0.85777%0.767SS**  trans-142.7126.3154.1-73.8-169.7177.7-178.50108.7R235R235-K237 PolarHBondContact O-N 3.33Å
238M28.6Very low31.7Very low168 Ų168155.4 Ų155.483%0.82878%0.776SS**  trans-77.2149.7163.9-66.8-169.772.200109.6
239L27.4Very low31.5Very low145 Ų145159.3 Ų159.376%0.75978%0.784SS**  trans-143.8116.6166.5-111161000107.5
240E30Very low31Very low185 Ų185154.3 Ų154.386%0.86477%0.77SS**  trans-61.8134158.4-67.6171.6120.300108
241Q26.8Very low30.7Very low176 Ų176157.2 Ų157.282%0.82278%0.775SS**  trans-135.8117.9163.3-73.2-167-19.200108.6
242T28Very low31.1Very low121 Ų121156.3 Ų156.374%0.74278%0.777SS**  trans-116.3134.1171.6-27.50000108.1
243L29.9Very low30.8Very low156 Ų156155 Ų15582%0.81778%0.779SS**  trans75.1170.9164.2-43.9-177.3000116.6
244P41.1Very low31.5Very low111 Ų111150.9 Ų150.972%0.72178%0.779SS**  -138.2179.1-63.840.9-26.1000113.4
245L25.7Very low31.2Very low154 Ų154155.8 Ų155.881%0.80678%0.782SS**  trans-134.2142.5161.2-130.174.5000106.8
246E26.7Very low31.2Very low145 Ų145152.5 Ų152.568%0.67878%0.78SS**  cis-154141.28.8-162.5162.5174.100112.2
247N30.3Very low31Very low117 Ų117151.1 Ų151.163%0.62678%0.779SS**  trans27131152.9-55.9-32000122.3
248F29Very low31Very low188 Ų188145.7 Ų145.783%0.82577%0.766SS**  -163.8130.4102.2-94.4-57.5000114.2
249W26.4Very low31Very low236 Ų236149.2 Ų149.289%0.89477%0.77SS**  trans51.4120.1162.6-64.9100.4000122.3
250A26.7Very low31.1Very low68 Ų68146.7 Ų146.756%0.56277%0.77SS**  trans-81.7167.316400000111
251H28.4Very low31Very low186 Ų186144.7 Ų144.786%0.86177%0.765SS**  -166.6179.554.4-105-49.9000111.7
252P38.6Very low31.1Very low121 Ų121143.3 Ų143.379%0.78676%0.758SS**  trans-105.5166.7-146.641.3-38.3000116.6
253G27Very low31.2Very low73 Ų73144.9 Ų144.975%0.75376%0.757SS**  trans-172.9130165.600000112.6
254P55Low31.3Very low118 Ų118145 Ų14577%0.76675%0.753SS**  trans-100.2154.6-173.837.6-33.8000113.6
255Y28.5Very low30.8Very low232 Ų232146.3 Ų146.391%0.9175%0.753SS**  trans-152.1129.3153.8-116.5-83.3000113.1
256N32.3Very low31.5Very low135 Ų135144.6 Ų144.672%0.72275%0.751SS**  trans-56.1173.5164.6-50.9-22000111.5
257D30.3Very low31.8Very low141 Ų141145 Ų14575%0.75475%0.753SS**  cis-170.6169.80.6-125.1-32.3000106.4
258S34.7Very low31.8Very low84 Ų84147 Ų14759%0.58776%0.764SS**  cis-165.1174.7-8.3-143.80000111.3
259R28.9Very low32.2Very low241 Ų241146.1 Ų146.191%0.90977%0.767SS**  trans41.2115.7147.3-72.7174.9168.6-167.7-4122.4
260A29.3Very low32.5Very low92 Ų92140.8 Ų140.876%0.7676%0.762SS**  -167.9125.6113.800000107.3
261L27.6Very low33Very low144 Ų144142.5 Ų142.575%0.75478%0.777SS**  58.5117.278.9-156.579.9000110.4
262E28Very low33.3Very low147 Ų147140.5 Ų140.569%0.68777%0.768SS**  cis-149.2142.119.3-117.1146-164.500107.3
263E31.5Very low33.3Very low153 Ų153140.9 Ų140.972%0.71577%0.773SS**  55.3127.295.9-67.6-157.8-152.200115.7
264Q31.5Very low33.7Very low159 Ų159144.7 Ų144.774%0.74377%0.769SS**  cis-146.2150.60-55.4-170.1-9.500111.5
265L30.4Very low33.4Very low138 Ų138146.5 Ų146.572%0.72378%0.779SS**  trans-130.5120.3162.7-108.7174.9000108.9
266P40.2Very low33.8Very low118 Ų118143.7 Ų143.777%0.76677%0.767SS**  trans-91.196.9165.93.216.1000109.7
267H32.6Very low34.8Very low153 Ų153141.1 Ų141.171%0.70875%0.754SS**  trans-82121.7158.1-72.3-65.7000109.2
268N30.3Very low36.8Very low159 Ų159138.4 Ų138.485%0.8575%0.746SS**  trans-152.9112.8154.2-93.4-57.9000110
269L37.1Very low37.9Very low171 Ų171142 Ų14290%0.89575%0.751SS**  trans-89.2135.9164.2-70168.9000109
270P34.1Very low39.7Very low123 Ų123135.6 Ų135.680%0.79973%0.731SS**  trans-94.9122.7153.3-3.423.2000109.4E272P270-E272 PolarHBondContact O-N 3.15Å
271A37.6Very low41.7Very low104 Ų104134 Ų13486%0.8671%0.71SS**  trans-81.9100.1174.200000111
272E34.8Very low44.1Very low144 Ų144133.5 Ų133.567%0.67370%0.704SS**  trans-139.9103.6156.7-76-162.7173.300110.1P270 K274P270-E272 PolarHBondContact O-N 3.15Å; E272-K274 VanDerWaalsContact C-N 3.3Å; E272-K274 PolarHBondContact O-N 2.98Å; E272-K274 WeakPolarHBondContact OE2-CE 3.16Å; E272-K274 IonicContact OE2-NZ 2.89Å; E272-K274 PolarHBondContact OE2-NZ 3.2Å
273S38.5Very low46.3Very low130 Ų130130.9 Ų130.991%0.90969%0.694SS**  trans-75.88017558.70000111.1
274K35.1Very low48.7Very low152 Ų152128.4 Ų128.466%0.66168%0.683SS**  trans-87.8127.7160.4-74.9162.5178.1147.20107.8E272 Y276E272-K274 VanDerWaalsContact C-N 3.3Å; E272-K274 PolarHBondContact O-N 2.98Å; E272-K274 WeakPolarHBondContact OE2-CE 3.16Å; E272-K274 IonicContact OE2-NZ 2.89Å; E272-K274 PolarHBondContact OE2-NZ 3.2Å; K274-Y276 PolarHBondContact O-N 2.62Å
275T49.3Very low51Low157 Ų157125.6 Ų125.696%0.96367%0.673SS**  trans-63.4106.7178.9-34.80000108.9
276Y35.6Very low53.2Low172 Ų172126 Ų12668%0.67567%0.666SS**  trans-119120.7-167.3-166.3-121.3000108.7K274 S278 D281K274-Y276 PolarHBondContact O-N 2.62Å; Y276-S278 PolarHBondContact O-N 3.15Å; Y276-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y276-D281 WeakPolarHBondContact CE2-OD2 3.21Å; Y276-D281 VanDerWaalsContact CZ-OD1 3.24Å; Y276-D281 PolarHBondContact OH-OD1 3.09Å; Y276-D281 PolarHBondContact OH-OD2 3.22Å
277D53Low55Low82 Ų82123.4 Ų123.444%0.43965%0.645SS.*  trans-91.492.1-173.5-17812.7000109.8F279 Q280D277-F279 PolarHBondContact O-N 2.81Å; D277-Q280 HydrophobicContact CB-CG 4.32Å; D277-Q280 PolarHBondContact O-N 3.43Å; D277-Q280 PolarHBondContact OD2-NE2 2.76Å
278S72.6Confident57.1Low84 Ų84122.5 Ų122.559%0.58764%0.639SS**Hα-helixtrans-50.4-21.9-172.8-171.40000115.3Y276 E282Y276-S278 PolarHBondContact O-N 3.15Å; S278-E282 PolarHBondContact O-N 3.44Å
279F57.5Low59.4Low158 Ų158116.1 Ų116.169%0.69361%0.61SS**Hα-helixtrans-76.9-25177.9-81.8-80000113.9D277 L283D277-F279 PolarHBondContact O-N 2.81Å; F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.12Å
280Q67.3Low60.5Low107 Ų107110.7 Ų110.750%0.558%0.58SS.*Hα-helixtrans-73.2-53.1178.9-66.2-179.332.900109.5D277 E282 L283 E284D277-Q280 HydrophobicContact CB-CG 4.32Å; D277-Q280 PolarHBondContact O-N 3.43Å; D277-Q280 PolarHBondContact OD2-NE2 2.76Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.44Å; Q280-L283 CarbonylContact O-C 3.58Å; Q280-L283 WeakPolarHBondContact O-CA 3.04Å; Q280-L283 WeakPolarHBondContact O-CB 3.41Å; Q280-L283 PolarHBondContact O-N 3.31Å; Q280-E284 PolarHBondContact O-N 3.48Å; Q280-E284 VanDerWaalsContact O-OE2 3.06Å
281D70.7Confident61.8Low60 Ų60111.1 Ų111.132%0.32157%0.57SS.*Hα-helixtrans-62.2-35.9-179.6-56.9-89.9000113.4Y276 E284 D285Y276-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y276-D281 WeakPolarHBondContact CE2-OD2 3.21Å; Y276-D281 VanDerWaalsContact CZ-OD1 3.24Å; Y276-D281 PolarHBondContact OH-OD1 3.09Å; Y276-D281 PolarHBondContact OH-OD2 3.22Å; D281-E284 PolarHBondContact O-N 3.23Å; D281-D285 PolarHBondContact O-N 2.99Å
282E79.6Confident62.8Low132 Ų132110.4 Ų110.462%0.61756%0.563SS**Hα-helixtrans-66.8-37.9173.5-168.7175.2-15900112S278 Q280 Y286S278-E282 PolarHBondContact O-N 3.44Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.44Å; E282-Y286 VanDerWaalsContact O-CB 3.26Å; E282-Y286 WeakPolarHBondContact O-CB 3.26Å; E282-Y286 PolarHBondContact O-N 2.89Å
283L73.2Confident64.3Low93 Ų93112.5 Ų112.549%0.48757%0.565SS.*Hα-helixtrans-69.2-41.1174.1-179.962.2000111.8F279 Q280 Y286 I287F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.12Å; Q280-L283 CarbonylContact O-C 3.58Å; Q280-L283 WeakPolarHBondContact O-CA 3.04Å; Q280-L283 WeakPolarHBondContact O-CB 3.41Å; Q280-L283 PolarHBondContact O-N 3.31Å; L283-Y286 PolarHBondContact O-N 3.07Å; L283-I287 HydrophobicContact CD1-CD1 4.01Å; L283-I287 HydrophobicContact CD1-CG1 4.32Å; L283-I287 HydrophobicContact CG-CD1 3.87Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 WeakPolarHBondContact O-CD1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 2.83Å; L283-I287 PolarHBondContact O-N 3.17Å
284E81.3Confident64.9Low101 Ų101109.6 Ų109.647%0.47256%0.556SS.*Hα-helixtrans-62.5-47.2176.3-99.267.7-10000111.5Q280 D281 I287 K288Q280-E284 PolarHBondContact O-N 3.48Å; Q280-E284 VanDerWaalsContact O-OE2 3.06Å; D281-E284 PolarHBondContact O-N 3.23Å; E284-I287 PolarHBondContact O-N 3.35Å; E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3Å
285D79.9Confident65.7Low99 Ų99107.9 Ų107.953%0.52955%0.553SS.*Hα-helixtrans-71.8-30176.9-103.33.4000112.2D281 K288 G289D281-D285 PolarHBondContact O-N 2.99Å; D285-K288 VanDerWaalsContact OD1-CD 3.26Å; D285-K288 WeakPolarHBondContact OD1-CD 3.46Å; D285-K288 IonicContact OD1-NZ 3.91Å; D285-K288 PolarHBondContact OD1-NZ 3.4Å; D285-G289 WeakPolarHBondContact O-CA 3.35Å; D285-G289 PolarHBondContact O-N 3.07Å
286Y77.4Confident65.6Low147 Ų147107.5 Ų107.558%0.57655%0.546SS*.Hα-helixtrans-63.7-47.8168.5-177.1-98.3000111.7E282 L283 K288 G289 Q290E282-Y286 VanDerWaalsContact O-CB 3.26Å; E282-Y286 WeakPolarHBondContact O-CB 3.26Å; E282-Y286 PolarHBondContact O-N 2.89Å; L283-Y286 PolarHBondContact O-N 3.07Å; Y286-K288 VanDerWaalsContact C-N 3.33Å; Y286-K288 PolarHBondContact O-N 3.02Å; Y286-G289 CarbonylContact O-C 3.44Å; Y286-G289 PolarHBondContact O-N 2.95Å; Y286-Q290 HydrophobicContact CD1-CG 4.31Å; Y286-Q290 HydrophobicContact CE1-CG 3.97Å; Y286-Q290 WeakPolarHBondContact O-CG 3.25Å; Y286-Q290 PolarHBondContact O-N 3.33Å; Y286-Q290 PolarHBondContact OH-NE2 3.1Å
287I78.4Confident66.1Low64 Ų64103 Ų10333%0.32854%0.537SS..Hα-helixtrans-61.6-41.8177.6-72.8165.9000111.1L283 E284 Q290 K291L283-I287 HydrophobicContact CD1-CD1 4.01Å; L283-I287 HydrophobicContact CD1-CG1 4.32Å; L283-I287 HydrophobicContact CG-CD1 3.87Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 WeakPolarHBondContact O-CD1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 2.83Å; L283-I287 PolarHBondContact O-N 3.17Å; E284-I287 PolarHBondContact O-N 3.35Å; I287-Q290 PolarHBondContact O-N 3.22Å; I287-K291 HydrophobicContact CG2-CD 4.07Å; I287-K291 WeakPolarHBondContact O-CG 3.47Å; I287-K291 PolarHBondContact O-N 3.42Å
288K76Confident65.6Low134 Ų134106.4 Ų106.458%0.58356%0.556SS**Hα-helixtrans-67.3-39.4176-172.8-174.2176.6-1690111.5E284 D285 Y286 Q290 K291 A292E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3Å; D285-K288 VanDerWaalsContact OD1-CD 3.26Å; D285-K288 WeakPolarHBondContact OD1-CD 3.46Å; D285-K288 IonicContact OD1-NZ 3.91Å; D285-K288 PolarHBondContact OD1-NZ 3.4Å; Y286-K288 VanDerWaalsContact C-N 3.33Å; Y286-K288 PolarHBondContact O-N 3.02Å; K288-Q290 VanDerWaalsContact C-N 3.31Å; K288-Q290 PolarHBondContact O-N 3.12Å; K288-K291 PolarHBondContact O-N 2.9Å; K288-A292 WeakPolarHBondContact O-CB 3.44Å; K288-A292 PolarHBondContact O-N 3.19Å
289G77.9Confident64Low24 Ų24106.7 Ų106.725%0.24755%0.554CS.*Hα-helixtrans-68.3-23.417400000114.4D285 Y286 R293D285-G289 WeakPolarHBondContact O-CA 3.35Å; D285-G289 PolarHBondContact O-N 3.07Å; Y286-G289 CarbonylContact O-C 3.44Å; Y286-G289 PolarHBondContact O-N 2.95Å; G289-R293 WeakPolarHBondContact O-CD 3.47Å; G289-R293 WeakPolarHBondContact O-CG 3.47Å; G289-R293 PolarHBondContact O-NE 2.92Å
290Q61.3Low62.9Low57 Ų57104.7 Ų104.727%0.26656%0.559SS.*Hα-helixtrans-79.5-48168.5-69.3-65.4-15.500111.2Y286 I287 K288 A292 R293Y286-Q290 HydrophobicContact CD1-CG 4.31Å; Y286-Q290 HydrophobicContact CE1-CG 3.97Å; Y286-Q290 WeakPolarHBondContact O-CG 3.25Å; Y286-Q290 PolarHBondContact O-N 3.33Å; Y286-Q290 PolarHBondContact OH-NE2 3.1Å; I287-Q290 PolarHBondContact O-N 3.22Å; K288-Q290 VanDerWaalsContact C-N 3.31Å; K288-Q290 PolarHBondContact O-N 3.12Å; Q290-A292 VanDerWaalsContact C-N 3.29Å; Q290-A292 PolarHBondContact O-N 3.27Å; Q290-R293 PolarHBondContact O-N 3.21Å
291K60.1Low61.2Low133 Ų133108.1 Ų108.158%0.57857%0.573SS**Hα-helixtrans-57.5-38.7177.1-74.6169.8179.2173.40113I287 K288 R293 G294I287-K291 HydrophobicContact CG2-CD 4.07Å; I287-K291 WeakPolarHBondContact O-CG 3.47Å; I287-K291 PolarHBondContact O-N 3.42Å; K288-K291 PolarHBondContact O-N 2.9Å; K291-R293 PolarHBondContact O-N 3.05Å; K291-G294 PolarHBondContact O-N 3.02Å
292A59.3Low59.5Low88 Ų88114.9 Ų114.973%0.72759%0.594SS**THydrogen-bonded Turntrans-66.6-15.3177.400000114.3K288 Q290K288-A292 WeakPolarHBondContact O-CB 3.44Å; K288-A292 PolarHBondContact O-N 3.19Å; Q290-A292 VanDerWaalsContact C-N 3.29Å; Q290-A292 PolarHBondContact O-N 3.27Å
293R67.1Low57.4Low188 Ų188119.2 Ų119.271%0.70961%0.605SS**THydrogen-bonded Turntrans-93.65.1177.8-62.8174.7-149.6-116.12.6113.3G289 Q290 K291 L295G289-R293 WeakPolarHBondContact O-CD 3.47Å; G289-R293 WeakPolarHBondContact O-CG 3.47Å; G289-R293 PolarHBondContact O-NE 2.92Å; Q290-R293 PolarHBondContact O-N 3.21Å; K291-R293 PolarHBondContact O-N 3.05Å; R293-L295 PolarHBondContact O-N 2.76Å
294G49.6Very low55.6Low69 Ų69122.2 Ų122.271%0.71162%0.618SS**THydrogen-bonded Turntrans71.67.6177.700000115K291K291-G294 PolarHBondContact O-N 3.02Å
295L51.8Low54Low116 Ų116121.8 Ų121.861%0.60763%0.626SS**  trans-91.799.5171.5-64.7178.8000108.6R293 P297R293-L295 PolarHBondContact O-N 2.76Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å
296D48.3Very low52Low150 Ų150124.9 Ų124.980%0.80264%0.638SS**  trans-68.2116.7168.5-144.4-1.3000107.6N298D296-N298 PolarHBondContact O-N 3.47Å
297P45.2Very low50.1Low76 Ų76123.7 Ų123.749%0.49465%0.65SS.*  trans-71.5100.3-176.528.4-32.8000108.7L295 T299L295-P297 WeakPolarHBondContact O-CD 3.36Å; P297-T299 PolarHBondContact O-N 3.4Å; P297-T299 PolarHBondContact O-OG1 3.46Å; P297-T299 VanDerWaalsContact O-OG1 3.12Å
298N44.3Very low48Very low155 Ų155130.2 Ų130.283%0.82967%0.672SS**  trans-7354.7168.8-162.41.6000110.6D296 S300D296-N298 PolarHBondContact O-N 3.47Å; N298-S300 PolarHBondContact O-N 3.01Å
299T38.7Very low46.4Very low90 Ų90134 Ų13455%0.55268%0.683SS**  trans-68.996.1169.515.70000108.4P297 F301P297-T299 PolarHBondContact O-N 3.4Å; P297-T299 PolarHBondContact O-OG1 3.46Å; P297-T299 VanDerWaalsContact O-OG1 3.12Å; T299-F301 HydrophobicContact CG2-CD2 3.74Å; T299-F301 HydrophobicContact CG2-CE2 3.98Å; T299-F301 PolarHBondContact O-N 3.41Å
300S33.5Very low44.4Very low116 Ų116143 Ų14381%0.81171%0.711SS**  trans-67.546.2166.452.50000112.5N298 R302N298-S300 PolarHBondContact O-N 3.01Å; S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.06Å
301F30.9Very low43.5Very low178 Ų178150.6 Ų150.678%0.78174%0.737SS**  trans-73.892.4163.7-85.9-72.7000109T299 R303T299-F301 HydrophobicContact CG2-CD2 3.74Å; T299-F301 HydrophobicContact CG2-CE2 3.98Å; T299-F301 PolarHBondContact O-N 3.41Å; F301-R303 PolarHBondContact O-N 3.02Å
302R36.6Very low42.2Very low202 Ų202151.3 Ų151.376%0.76275%0.747SS**  trans-57.795.2168.6-170-179.7-162-115.16.8109.2S300 M304S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.06Å; R302-M304 PolarHBondContact O-N 3.31Å
303R35Very low41Very low223 Ų223155.4 Ų155.484%0.84275%0.752SS**  trans-53.3101.5172.8-100-171.5-84.5-171.1-7.2109.4F301 S305F301-R303 PolarHBondContact O-N 3.02Å; R303-S305 PolarHBondContact O-N 3.03Å; R303-S305 VanDerWaalsContact O-N 3.16Å
304M35.7Very low39.4Very low157 Ų157157.8 Ų157.877%0.77376%0.761SS**  trans-89.232.8-174.3-131.9-178.9-56.400112.1R302R302-M304 PolarHBondContact O-N 3.31Å
305S48.1Very low38.7Very low91 Ų91165.4 Ų165.464%0.63677%0.769SS**SBendtrans-105.4-16-156.6-52.40000115.5R303R303-S305 PolarHBondContact O-N 3.03Å; R303-S305 VanDerWaalsContact O-N 3.16Å
306E38.1Very low38.1Very low165 Ų165171.6 Ų171.677%0.77179%0.785SS**SBendtrans-125.3-9.1-166.8-74.4169156.600115.6Y308E306-Y308 PolarHBondContact O-N 2.87Å
307S35.5Very low37.3Very low121 Ų121173.2 Ų173.285%0.84679%0.788SS**THydrogen-bonded Turntrans-80-16.4-173.3-1690000115.6
308Y36.1Very low36.7Very low201 Ų201180.6 Ų180.679%0.78881%0.806SS**THydrogen-bonded Turntrans-100.53.9-170.2-132-90.6000116.1E306 Y310E306-Y308 PolarHBondContact O-N 2.87Å; Y308-Y310 PolarHBondContact O-N 3.44Å
309R40.7Very low36.2Very low214 Ų214179.2 Ų179.281%0.80880%0.802SS**SBendtrans-79.5-11.3-175.9-71.7-80.7-176.3160.8-0.3115.2
310Y37.8Very low35.7Very low213 Ų213181.7 Ų181.784%0.83581%0.812SS**SBendtrans-110.50.1-165.9-97.7-79.6000117.5Y308Y308-Y310 PolarHBondContact O-N 3.44Å
311R40.5Very low35.6Very low216 Ų216181 Ų18182%0.81581%0.807SS**SBendtrans-100.1-23.8-175.5-163.9168-73-144.81.1115.2
312D34.1Very low35.5Very low148 Ų148181.2 Ų181.279%0.79181%0.811SS**G310 helixtrans-88-10.3-165.7-118.121000115.8R314D312-R314 VanDerWaalsContact C-N 3.32Å; D312-R314 PolarHBondContact O-N 3.27Å
313Q34.4Very low35.4Very low175 Ų175179.7 Ų179.782%0.81881%0.812SS**G310 helixtrans-87.514.6-173.5-75.8171.6-20.400115
314R33.7Very low35.2Very low238 Ų238180.8 Ų180.890%0.89882%0.816SS**G310 helixtrans-123.516.2-176.8-123.6-158.7-72.8-170.7-0.8117.1D312D312-R314 VanDerWaalsContact C-N 3.32Å; D312-R314 PolarHBondContact O-N 3.27Å
315Y34.4Very low34.8Very low228 Ų228181 Ų18189%0.89482%0.815SS**SBendtrans-13835.4176.1-151-100.3000116
316R38.3Very low34.1Very low246 Ų246187.3 Ų187.393%0.92883%0.825SS**  trans-142.497164.8-172.6-176.5-75-148.3-0.4110.6
317E32.8Very low33.8Very low185 Ų185185.7 Ų185.786%0.86483%0.828SS**  trans162.693.3140.1-174.9162.3-127.100111.6
318R31.8Very low33.5Very low231 Ų231185.1 Ų185.187%0.87282%0.823SS**  trans-164.7113.4142.2-150.7164.1-64.3-108.7-7109.8
319V34.1Very low33Very low125 Ų125183.6 Ų183.676%0.75882%0.823SS**  trans-127.3157.1169.2178.50000107.1
320D28.3Very low32.2Very low142 Ų142179 Ų17976%0.75981%0.811SS**  trans72.8139.7-176.2-56.4-36.3000115.8
321S30.8Very low31.8Very low101 Ų101178.2 Ų178.271%0.70681%0.807SS**  cis-144163.719.2-47.30000115.1
322E28.9Very low31.1Very low184 Ų184175.8 Ų175.886%0.8680%0.802SS**  trans66.798.1143.2-73.7174.4157.100123.2
323H34.6Very low30.7Very low169 Ų169172.7 Ų172.778%0.78279%0.792SS**  37.1109.5112.3-130.596.6000120.6
324R30Very low30.4Very low247 Ų247172.5 Ų172.593%0.93279%0.789SS**  trans-159.2150.7134.2-117.9-176.1-170.7-141.82.6113.6
325Q28.7Very low29.9Very low162 Ų162169.2 Ų169.276%0.75778%0.784SS**  trans-90.5159.8177.9-58.7-166.19.800112.9
326R32.2Very low29.6Very low223 Ų223162.5 Ų162.584%0.84278%0.776SS**  trans19.1143.4141.3-92.3-172.2-176.2-162.32.9119.6
327P32.3Very low29.8Very low130 Ų130157 Ų15784%0.84477%0.771SS**  -137.3-178.165.637.7-21000116.3
328C29.1Very low29.8Very low109 Ų109156.8 Ų156.874%0.73677%0.77SS**  trans-132130.1178.8172.90000107.4
329E26.2Very low29.6Very low169 Ų169152.2 Ų152.279%0.7977%0.768SS**  trans-169.9125.5159.2-105160.3-151.600105.7
330E23.4Very low29.2Very low118 Ų118155.8 Ų155.855%0.55177%0.77SS**  90.7115.864.1-164-154.1-139.800111.7
331R28.5Very low29.3Very low197 Ų197155.6 Ų155.674%0.74376%0.764SS**  164.9111.1129.2-87.9160-160.7-170.26.8110.4
332F27Very low29.2Very low165 Ų165157.2 Ų157.272%0.72476%0.76SS**  73.9140.597.1-94.4-108.3000112.6
333S26.1Very low29.2Very low82 Ų82154.3 Ų154.357%0.57375%0.747SS**  cis167169.7-14.6-89.80000106.2
334F27.3Very low28.9Very low172 Ų172155.9 Ų155.975%0.75475%0.748SS**  trans69.1149.3165.7-66.8-74.4000116.9
335E22.8Very low28.9Very low169 Ų169149.8 Ų149.879%0.7974%0.743SS**  cis-151.9174.1-5.6-150147.9-169.200110.9
336A28.9Very low28.8Very low87 Ų87147.1 Ų147.172%0.71975%0.748SS**  trans-86.3-178.7172.600000111.1
337P41.9Very low28.7Very low129 Ų129141.9 Ų141.984%0.83875%0.746SS**  -147.3-173.351.239.8-16.5000117.4
338Q32.9Very low29.2Very low181 Ų181140.9 Ų140.985%0.84674%0.739SS**  trans-77.9163-178.9-53.5162.1-22.300113.9
339T26.5Very low29.2Very low135 Ų135141.8 Ų141.883%0.82874%0.741SS**  trans-169.4151134.95.70000114.7
340Y26.7Very low29.4Very low201 Ų201142.3 Ų142.379%0.78874%0.743SS**  trans69.2124158.4-95.5-123.3000119.1
341Q30.3Very low29.6Very low138 Ų138139.7 Ų139.765%0.64575%0.748SS**  70.6142.868.2-71.6-81.6-0.700112
342Q27.9Very low29.7Very low134 Ų134139.7 Ų139.763%0.62676%0.757SS**  cis-156173.47.9-168.4158.9-4.100111
343E29.8Very low29.6Very low124 Ų124137.3 Ų137.358%0.57976%0.761SS**  trans-34.2152.6164-51.8152.2140.500116.9
344Y28.2Very low30.3Very low202 Ų202138.7 Ų138.779%0.79277%0.768SS**  172.6148.4102.8-99.9-77.8000112.7
345S30.8Very low30.3Very low119 Ų119139.1 Ų139.183%0.83277%0.772SS**  trans-90.9139.9179.1-510000112.7
346A25.3Very low30.6Very low105 Ų105142.4 Ų142.487%0.86878%0.777SS**  trans-171.4126.7143.400000113.4
347S30.9Very low30.6Very low114 Ų114145.7 Ų145.780%0.79778%0.782SS**  trans-89163.3149-153.20000106.6
348P43.6Very low30.3Very low108 Ų108145.7 Ų145.770%0.70178%0.781SS**  cis-153.9-165.339.243.9-20.9000117.6
349V28.5Very low30Very low128 Ų128141.9 Ų141.978%0.77678%0.775SS**  trans75.5138.8159.1164.20000116.8
350E29.5Very low30.4Very low180 Ų180143.6 Ų143.684%0.84177%0.773SS**  cis-172.6148.5-20.6-171.9158.8-162.900108.3
351G29Very low30.9Very low63 Ų63139.4 Ų139.465%0.64977%0.773SS**  trans120.8101.7158.200000120
352Q30.7Very low31.4Very low197 Ų197142.2 Ų142.292%0.92178%0.783SS**  trans57.7124.1142.5-47.7-178.340.400118.3
353S24.9Very low31.7Very low116 Ų116146.2 Ų146.281%0.81179%0.793SS**  -168.2178.551.1660000111.6
354P41Very low32Very low111 Ų111149.7 Ų149.772%0.72180%0.8SS**  trans-105.3158.6-151.840.5-37.5000117.4
355H26.8Very low32.5Very low181 Ų181146.5 Ų146.584%0.83880%0.797SS**  -177.3170101.973.9-62.9000111.6
356W29.1Very low33.1Very low238 Ų238145.4 Ų145.490%0.90278%0.782SS**PPolyproline II helixtrans-87.4142.9-157.3-74.879000115.9
357L28.7Very low34.4Very low156 Ų156144.9 Ų144.982%0.81776%0.764SS**PPolyproline II helixtrans-78136.6161.9-68.4170000110.6S359L357-S359 PolarHBondContact O-N 2.89Å
358P34.4Very low35.1Very low128 Ų128146.7 Ų146.783%0.83176%0.758SS**PPolyproline II helixtrans-71.8122.3169.5-2134.3000112.6
359S27.1Very low35.5Very low101 Ų101147.2 Ų147.271%0.70675%0.752SS**PPolyproline II helixtrans-76.8134.5170.1-66.20000111.6L357 S361L357-S359 PolarHBondContact O-N 2.89Å; S359-S361 PolarHBondContact O-N 3.33Å
360H34.3Very low36.8Very low171 Ų171146.1 Ų146.179%0.79274%0.741SS**  trans-39.5116.516546.3-85.5000113
361S37.8Very low38.2Very low113 Ų113144.2 Ų144.279%0.7973%0.732SS**  trans-98.1123169.867.70000110.6S359 R363S359-S361 PolarHBondContact O-N 3.33Å; S361-R363 PolarHBondContact O-N 3.48Å
362K40.6Very low39.7Very low198 Ų198147.2 Ų147.286%0.86173%0.728SS**  trans-81.2101.8167.7-69.6176.1177.81760108
363R34.3Very low41.3Very low217 Ų217142 Ų14282%0.81971%0.706SS**  trans-85.4146.8161.6-127.7180-175.5-173.1-1.8109.2S361S361-R363 PolarHBondContact O-N 3.48Å
364R37Very low43.1Very low197 Ų197141.3 Ų141.374%0.74369%0.693SS**  trans-87.9152.7-169.3-55.7176.1-156.4175.17.1110.7D366R364-D366 WeakPolarHBondContact CB-OD2 3.47Å; R364-D366 WeakPolarHBondContact CD-OD2 3.45Å; R364-D366 PolarHBondContact O-N 3.19Å
365N38.3Very low43.9Very low135 Ų135143.7 Ų143.772%0.72269%0.689SS**THydrogen-bonded Turntrans-78.138.6177.2-71.3-41.7000112.7
366D43.2Very low45.5Very low96 Ų96137.8 Ų137.851%0.51366%0.664SS.*THydrogen-bonded Turntrans-101.8-21.5-176.6-56-43.2000111.9R364R364-D366 WeakPolarHBondContact CB-OD2 3.47Å; R364-D366 WeakPolarHBondContact CD-OD2 3.45Å; R364-D366 PolarHBondContact O-N 3.19Å
367D53.1Low47Very low94 Ų94132.9 Ų132.950%0.50365%0.649SS.*Hα-helixtrans-75.6-36-175.5-65.8-29.6000112.9Q369 N370D367-Q369 VanDerWaalsContact C-N 3.31Å; D367-Q369 PolarHBondContact O-N 2.96Å; D367-N370 PolarHBondContact O-N 3.23Å
368F44.5Very low48.2Very low153 Ų153129.3 Ų129.367%0.67163%0.633SS**Hα-helixtrans-69.1-23.3-178.3-72.9-73.3000114.4F372F368-F372 PolarHBondContact O-N 2.94Å
369Q53.2Low49Very low119 Ų119129 Ų12956%0.55662%0.621SS**Hα-helixtrans-71.4-42.1178-127.365.755.100110.9D367 E371 F372 D373D367-Q369 VanDerWaalsContact C-N 3.31Å; D367-Q369 PolarHBondContact O-N 2.96Å; Q369-E371 PolarHBondContact O-N 3.39Å; Q369-F372 PolarHBondContact O-N 3.31Å; Q369-D373 PolarHBondContact O-N 3.32Å
370N54.9Low49.9Very low104 Ų104131.2 Ų131.256%0.55662%0.62SS**Hα-helixtrans-65.1-38.9-179.1-65.4-35.1000112.4D367 D373 D374D367-N370 PolarHBondContact O-N 3.23Å; N370-D373 PolarHBondContact O-N 2.98Å; N370-D374 PolarHBondContact O-N 3.45Å; N370-D374 VanDerWaalsContact O-N 3.11Å
371E60.1Low50.2Low141 Ų141127.6 Ų127.666%0.65961%0.614SS**Hα-helixtrans-67.8-36178.1-171.3170.9-164.900112.1Q369 Y375Q369-E371 PolarHBondContact O-N 3.39Å; E371-Y375 PolarHBondContact O-N 3.38Å
372F59.2Low50.7Low126 Ų126132 Ų13255%0.55361%0.613SS**Hα-helixtrans-69.2-40.5175.4-173.1-103.3000112.4F368 Q369 Y375 N376F368-F372 PolarHBondContact O-N 2.94Å; Q369-F372 PolarHBondContact O-N 3.31Å; F372-Y375 PolarHBondContact O-N 3.28Å; F372-N376 VanDerWaalsContact CD1-ND2 3.33Å; F372-N376 WeakPolarHBondContact CD1-ND2 3.41Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.4Å; F372-N376 PolarHBondContact O-N 3.39Å; F372-N376 VanDerWaalsContact O-N 3.1Å; F372-N376 PolarHBondContact O-ND2 3.11Å; F372-N376 VanDerWaalsContact O-ND2 3.08Å
373D64.2Low50.8Low87 Ų87131.2 Ų131.247%0.46561%0.612SS.*Hα-helixtrans-69.8-35.9179.8-72.2-21000112.6Q369 N370 N376 K377Q369-D373 PolarHBondContact O-N 3.32Å; N370-D373 PolarHBondContact O-N 2.98Å; D373-N376 PolarHBondContact O-N 3.14Å; D373-K377 PolarHBondContact O-N 3.24Å; D373-K377 VanDerWaalsContact O-N 3.11Å
374D63.9Low50.8Low101 Ų101126.3 Ų126.354%0.5461%0.612SS.*Hα-helixtrans-68-35171.9-89.8-9.8000112.1N370 K377 V378N370-D374 PolarHBondContact O-N 3.45Å; N370-D374 VanDerWaalsContact O-N 3.11Å; D374-K377 PolarHBondContact O-N 3.25Å; D374-V378 WeakPolarHBondContact O-CG2 3.33Å; D374-V378 PolarHBondContact O-N 3.23Å
375Y57.8Low50.8Low162 Ų162123.6 Ų123.664%0.63561%0.607SS**Hα-helixtrans-66.2-38.4175.3-149.7-84000112.4E371 F372 V378 Q379E371-Y375 PolarHBondContact O-N 3.38Å; F372-Y375 PolarHBondContact O-N 3.28Å; Y375-V378 PolarHBondContact O-N 3.15Å; Y375-Q379 PolarHBondContact O-N 3.11Å
376N59.9Low50.6Low57 Ų57123.3 Ų123.331%0.30561%0.613SS.*Hα-helixtrans-66.2-42.3174.9-71.3-46000111.9F372 D373 V378 Q379 E380F372-N376 VanDerWaalsContact CD1-ND2 3.33Å; F372-N376 WeakPolarHBondContact CD1-ND2 3.41Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.4Å; F372-N376 PolarHBondContact O-N 3.39Å; F372-N376 VanDerWaalsContact O-N 3.1Å; F372-N376 PolarHBondContact O-ND2 3.11Å; F372-N376 VanDerWaalsContact O-ND2 3.08Å; D373-N376 PolarHBondContact O-N 3.14Å; N376-V378 PolarHBondContact O-N 3.23Å; N376-Q379 PolarHBondContact O-N 3.16Å; N376-E380 PolarHBondContact O-N 2.86Å
377K59.5Low50.3Low135 Ų135126.6 Ų126.659%0.58762%0.622SS**Hα-helixtrans-56.2-35.2172.6-91.6173.9178.2163.40113.6D373 D374 Q379 S381D373-K377 PolarHBondContact O-N 3.24Å; D373-K377 VanDerWaalsContact O-N 3.11Å; D374-K377 PolarHBondContact O-N 3.25Å; K377-Q379 VanDerWaalsContact C-N 3.33Å; K377-S381 WeakPolarHBondContact O-CB 3.42Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 VanDerWaalsContact O-N 3.16Å; K377-S381 PolarHBondContact O-OG 2.87Å
378V55.5Low49.4Very low81 Ų81129 Ų12949%0.49164%0.641SS.*Hα-helixtrans-75-22.3177.7174.80000112.3D374 Y375 N376 S381D374-V378 WeakPolarHBondContact O-CG2 3.33Å; D374-V378 PolarHBondContact O-N 3.23Å; Y375-V378 PolarHBondContact O-N 3.15Å; N376-V378 PolarHBondContact O-N 3.23Å; V378-S381 PolarHBondContact O-OG 3.31Å
379Q50.2Low48.7Very low121 Ų121127 Ų12757%0.56565%0.646SS**Hα-helixtrans-84.1-44.3169.4-68.5-152.8-6.100112.9Y375 N376 K377 S381 R382 E383Y375-Q379 PolarHBondContact O-N 3.11Å; N376-Q379 PolarHBondContact O-N 3.16Å; K377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-S381 PolarHBondContact O-N 3.01Å; Q379-R382 PolarHBondContact O-N 3.07Å; Q379-E383 PolarHBondContact O-N 3.04Å
380E45.4Very low47.4Very low147 Ų147131.5 Ų131.569%0.68766%0.664SS**Hα-helixtrans-61.3-29.4178.2-70.6-178.1161.300112.5N376 R382N376-E380 PolarHBondContact O-N 2.86Å; E380-R382 PolarHBondContact O-N 3.2Å
381S42Very low46.3Very low96 Ų96138.5 Ų138.567%0.67168%0.682SS**THydrogen-bonded Turntrans-77.70.6173.151.80000114.8K377 V378 Q379K377-S381 WeakPolarHBondContact O-CB 3.42Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 VanDerWaalsContact O-N 3.16Å; K377-S381 PolarHBondContact O-OG 2.87Å; V378-S381 PolarHBondContact O-OG 3.31Å; Q379-S381 PolarHBondContact O-N 3.01Å
382R47.5Very low44.8Very low206 Ų206143 Ų14378%0.77769%0.693SS**THydrogen-bonded Turntrans-114-9.7177.3-69.9-177.9174.6-165.7-0.9114.4Q379 E380 S384Q379-R382 PolarHBondContact O-N 3.07Å; E380-R382 PolarHBondContact O-N 3.2Å; R382-S384 PolarHBondContact O-N 3.19Å
383E42.2Very low43.3Very low180 Ų180145.1 Ų145.184%0.84171%0.707SS**  trans-91.292.9169.1-69.3-163.8153.400110.8Q379Q379-E383 PolarHBondContact O-N 3.04Å
384S35.1Very low41.6Very low115 Ų115149.1 Ų149.180%0.80473%0.728SS**  trans-98.8140.5165.450.80000110.5R382R382-S384 PolarHBondContact O-N 3.19Å
385E37.8Very low40Very low140 Ų140149 Ų14965%0.65474%0.736SS**  trans-58.1143.6-166-56.6173.5146.500114.7K387E385-K387 PolarHBondContact O-N 3.27Å; E385-K387 IonicContact OE2-NZ 2.57Å; E385-K387 PolarHBondContact OE2-NZ 3.41Å
386P33.8Very low38.7Very low129 Ų129146.4 Ų146.484%0.83874%0.741SS**  trans-75.686.3169.932.5-33.9000110.7T388P386-T388 PolarHBondContact O-N 3.12Å
387K35.5Very low37.4Very low164 Ų164152.1 Ų152.171%0.71376%0.764SS**  trans-79.5104.6170.9-78.5-171.4170760111.1E385 S389E385-K387 PolarHBondContact O-N 3.27Å; E385-K387 IonicContact OE2-NZ 2.57Å; E385-K387 PolarHBondContact OE2-NZ 3.41Å; K387-S389 PolarHBondContact O-N 3.36Å
388T35.2Very low36Very low145 Ų145154.8 Ų154.889%0.8978%0.778SS**  trans-65.7111.4167.339.60000110.8P386P386-T388 PolarHBondContact O-N 3.12Å
389S29.7Very low34.9Very low110 Ų110156.1 Ų156.177%0.76979%0.787SS**  trans-143.8118.1158.563.60000111K387K387-S389 PolarHBondContact O-N 3.36Å
390F26.1Very low33.9Very low214 Ų214158.3 Ų158.394%0.93980%0.797SS**  trans-72.8125164.9-89.5-100.6000108.8
391R32.5Very low33Very low251 Ų251159.1 Ų159.195%0.94781%0.806SS**  trans-154156.4137.1-110.8168.6-159.2-96.51.1110.7
392R27.4Very low32.2Very low235 Ų235163.7 Ų163.789%0.88781%0.81SS**  trans-84.6169.4-166.8-66.2177.1176.8170.9-2.4111.6
393M28.7Very low31.5Very low171 Ų171160.2 Ų160.284%0.84280%0.802SS**  trans-41.2136170.1-6873.2177.200113.1
394D27.6Very low31.1Very low171 Ų171159.7 Ų159.791%0.91480%0.8SS**  -128.8133.6129-84.5-50.7000107.9
395S29.7Very low31.1Very low99 Ų99162 Ų16269%0.69280%0.8SS**  trans-101115.2-173.7550000111F397S395-F397 WeakPolarHBondContact O-CE1 3.49Å
396S31.2Very low30.8Very low108 Ų108161 Ų16176%0.75580%0.803SS**  trans-12499165.459.10000110.2
397F32.7Very low30.6Very low177 Ų177161 Ų16178%0.77680%0.796SS**  trans-44.9128.3161.324.9-90.6000112.1S395S395-F397 WeakPolarHBondContact O-CE1 3.49Å
398E29.3Very low30.4Very low190 Ų190164 Ų16489%0.88880%0.803SS**  trans-136.599.1165.6-169.7147.4-156.600109.6
399T32.7Very low30.2Very low110 Ų110168.3 Ų168.368%0.67580%0.803SS**  trans-116.2153.7170.343.70000109.8
400H29.1Very low30.2Very low167 Ų167168.3 Ų168.377%0.77380%0.803SS**  trans47.9116.7153.573.3-17.7000120.4
401N26.5Very low30.4Very low164 Ų164163 Ų16388%0.87779%0.792SS**  trans-130.7112148.7-86.1-56.5000108.2
402Y26.8Very low30.2Very low191 Ų191158.6 Ų158.675%0.74978%0.782SS**  trans-150.2117.1167.3-163.3-94000110.9
403E32.6Very low30.5Very low134 Ų134153.7 Ų153.763%0.62678%0.778SS**  trans55101.4151.8-147.8149.2-114.100120.7
404E33.1Very low30.7Very low168 Ų168152 Ų15279%0.78577%0.77SS**  46.6120.9126.7-165.7172.5-173.200121.6
405M35.6Very low30.8Very low163 Ų163151.5 Ų151.580%0.80376%0.76SS**  -178.8123.1118.4-98.7-179.261.300115
406V30.6Very low30.8Very low121 Ų121153.6 Ų153.673%0.73376%0.759SS**  trans54.1104.4137.7-168.70000121.5
407D30.8Very low30.6Very low127 Ų127156.9 Ų156.968%0.67976%0.762SS**  trans42.4108.1134.1-167.330.5000121.5
408R30.5Very low30.4Very low229 Ų229151.8 Ų151.886%0.86476%0.76SS**  -171.7103.5115.4-102.7173.4-176.6-164.62.4115.3
409R30.4Very low30.5Very low235 Ų235151 Ų15189%0.88776%0.76SS**  38.4138.1128.7-143.9175.2-164.5173.24.9122.1
410S29.4Very low31.3Very low110 Ų110150.9 Ų150.977%0.76976%0.762SS**  trans79136.6154.3150.90000117.6
411S32.3Very low31.5Very low101 Ų101148.6 Ų148.671%0.70676%0.763SS**  cis-162.6129.9-7.2-72.70000107
412H27Very low31.5Very low159 Ų159150.2 Ų150.274%0.73677%0.766SS**  71.192.384-156.7-61.9000117.1
413T33.9Very low31.7Very low133 Ų133145.8 Ų145.882%0.81676%0.759SS**  trans-174.1109.9146.9420000106.9
414M32.3Very low31.6Very low135 Ų135147.5 Ų147.567%0.66576%0.764SS**  73.3145.550.1-69.1-79-71.200115.3
415F29.7Very low31.4Very low160 Ų160147.5 Ų147.570%0.70276%0.764SS**  trans84.6127.8173.7-67.6-95.6000117.1
416E30.1Very low31Very low143 Ų143145.3 Ų145.367%0.66876%0.76SS**  cis-159.1177-10-145.8170.5-155.800112.6
417E27.5Very low30.6Very low177 Ų177150 Ų15083%0.82777%0.766SS**  trans-29.7163.6169.5-65.2169.8138.500118.7
418G29.3Very low30.4Very low70 Ų70150.3 Ų150.372%0.72277%0.773SS**  cis-172.9-173.311.100000113.3
419L31.5Very low30.4Very low173 Ų173146.3 Ų146.391%0.90677%0.769SS**  trans-90.4-161.6-167.4-57.6165.1000112.9
420P47.9Very low31.9Very low108 Ų108140 Ų14070%0.70176%0.758SS**  -133.4-174.4-105.442-21.7000115.3
421C34.6Very low31.6Very low120 Ų120145.4 Ų145.481%0.81176%0.763SS**  trans42.8127.9152.7-63.20000121.3
422E26.1Very low31.6Very low197 Ų197144.9 Ų144.992%0.92176%0.76SS**  trans-143171.5150.1-135.8171.7-163.700113.3
423T29.9Very low31.7Very low99 Ų99143.3 Ų143.361%0.60777%0.767SS**  trans-133.3173.9-149.2-47.20000111.7
424F31.1Very low31.6Very low170 Ų170141.5 Ų141.575%0.74677%0.765SS**  trans80.8158.7164.4-48.6-63.9000116.1
425Q29.5Very low31.6Very low167 Ų167144 Ų14478%0.7878%0.775SS**  cis-157.3-177.6-4.8-127.5162.158.600112.5
426T26.4Very low31.5Very low117 Ų117140.7 Ų140.772%0.71878%0.777SS**  trans-91.4161.7-173.134.70000117.6
427Y23.4Very low31.4Very low219 Ų219139.7 Ų139.786%0.85978%0.781SS**  trans79.9134.7147.5-108.6-99.6000121.6
428T26.3Very low31.4Very low135 Ų135139.6 Ų139.683%0.82878%0.781SS**  170.3147.3121.2-65.50000112.1
429D30.9Very low31.3Very low144 Ų144143.3 Ų143.377%0.7778%0.784SS**  trans-153.2-179.9-174.9-15335000108.2
430P59.9Low31.1Very low102 Ų102142 Ų14266%0.66278%0.784SS**  cis-137.3-179.8-0.245.6-29.1000116.8
431Y23.9Very low30.4Very low224 Ų224144.1 Ų144.188%0.87879%0.788SS**  trans-152.4156.2145.3-148.9-100.6000115.1
432S32.9Very low30.7Very low90 Ų90143.7 Ų143.763%0.62978%0.784SS**  trans-80.3152.5-161-49.40000118.3
433S29.6Very low30.8Very low126 Ų126142 Ų14288%0.88178%0.776SS**  175.1164.7106.941.70000112.6
434A30.4Very low30.7Very low95 Ų95142.2 Ų142.279%0.78578%0.779SS**  trans-136.4153.5-160.900000115.4
435Q32.3Very low30.6Very low187 Ų187141.7 Ų141.787%0.87478%0.784SS**  trans-169.1119.8148.6-99.8161.637.500106.2
436A27.9Very low30.9Very low91 Ų91139.7 Ų139.775%0.75279%0.785SS**  63.5129.577.900000112.8
437V27.3Very low30.8Very low123 Ų123138.6 Ų138.675%0.74579%0.788SS**  cis-159.1154.84.2105.80000111.5
438E27.3Very low31.1Very low175 Ų175138.6 Ų138.682%0.81879%0.788SS**  trans58.9141.2159.8-70.3173.9146.700124.5
439N27.8Very low31.6Very low148 Ų148139 Ų13979%0.79178%0.78SS**  trans-82.7153.3175.3-46.3-81.4000111.3
440T28.3Very low31.4Very low146 Ų146138.2 Ų138.290%0.89678%0.776SS**  -177.3147.7119.922.80000113.2
441L32.4Very low30.3Very low152 Ų152141.7 Ų141.780%0.79678%0.784SS**  trans-60163.5161-78.7163.8000110.4
442P41.4Very low31.6Very low111 Ų111136.3 Ų136.372%0.72178%0.776SS**  cis-160175.548.444.9-22.3000120.8
443H26.8Very low31.2Very low162 Ų162137 Ų13775%0.7578%0.781SS**  trans13.3134.5141.4-70.1-79.7000124.1
444C28.9Very low31.4Very low102 Ų102138 Ų13869%0.68978%0.776SS**  97.9120.3124.3-80.30000123.1
445L29.5Very low31.3Very low160 Ų160140.5 Ų140.584%0.83878%0.776SS**  trans68.2139.2147.3-56.7179.2000120.2
446P35.7Very low31.2Very low124 Ų124135.9 Ų135.981%0.80577%0.77SS**  trans-82.114316734.2-32.3000111.6
447A24.7Very low31.4Very low94 Ų94140.5 Ų140.578%0.77778%0.776SS**  trans-84.5171.8-179.200000113.5
448Y28.9Very low31.4Very low220 Ų220140.2 Ų140.286%0.86378%0.779SS**  trans-137.7137.9141.4-164.8-99.1000110.2
449E36.6Very low31.3Very low142 Ų142139.1 Ų139.166%0.66477%0.774SS**  trans-91152-171.8-59.3168.7127.400110.8
450N27.4Very low31.5Very low129 Ų129142 Ų14269%0.6978%0.775SS**  -174.9151.278.2-97.8-75000114.5
451Q36.9Very low31.7Very low175 Ų175143.3 Ų143.382%0.81877%0.771SS**  trans-51.2-171.9169.7-70-175.5-18.100117.6
452P49.6Very low31.5Very low111 Ų111142.9 Ų142.972%0.72177%0.769SS**  -139.6-171.7-51.940.6-23.9000112.6
453S26.1Very low30.8Very low103 Ų103142.6 Ų142.672%0.7277%0.765SS**  trans154.3107133.7-1780000116.7
454L33.4Very low31.1Very low148 Ų148140 Ų14078%0.77576%0.76SS**  trans52.4134.1133.8-61.5176.8000125.9
455D27.2Very low31Very low148 Ų148143.6 Ų143.679%0.79177%0.767SS**  trans101.3135.3135.2-68.7-15.2000125.3
456A30Very low31.3Very low90 Ų90143 Ų14374%0.74476%0.76SS**  trans81.5102.6150.500000123.6
457E32.3Very low31Very low188 Ų188145.7 Ų145.788%0.87976%0.759SS**  trans25.7127.4134.2-63.9174.912200123.4
458S27.1Very low31.4Very low117 Ų117145.8 Ų145.882%0.81876%0.755SS**  -179.5129.7114.837.60000114.6
459H26.9Very low31.3Very low151 Ų151143.8 Ų143.870%0.69975%0.753SS**  26.7129.1125.7-102.6-84.4000119.1
460Y30.6Very low31.2Very low209 Ų209144.7 Ų144.782%0.8276%0.759SS**  cis-151.2168.939.1-94.7-90.4000114.1
461Q33.2Very low31.9Very low174 Ų174144.3 Ų144.381%0.81376%0.764SS**  trans-101.6-169.1174.8-62.6-179.9-14.300113.5
462L27.6Very low31.4Very low143 Ų143140.3 Ų140.375%0.74976%0.761SS**  trans87.9135.5163.2-99.869.9000116.5
463T26.9Very low30.3Very low105 Ų105140.1 Ų140.164%0.64476%0.762SS**  cis-152.8136.37.5-23.70000107
464T33.2Very low30.4Very low106 Ų106143 Ų14365%0.6577%0.768SS**  40.4132.2881.70000113.5E466T464-E466 HydrophobicContact CG2-CG 4.33Å
465E27.7Very low30Very low179 Ų179140.4 Ų140.484%0.83676%0.763SS**  cis-143.5152.747.8-71.8170.917900110.8
466E35.8Very low30Very low146 Ų146141 Ų14168%0.68277%0.765SS**  cis101.6110.336.2-89.4-149.6140.800115.8T464T464-E466 HydrophobicContact CG2-CG 4.33Å
467F29.8Very low29.9Very low181 Ų181140.9 Ų140.979%0.79476%0.759SS**  trans63.4163.5152-69.4-108.1000120.1
468S31.8Very low29.9Very low97 Ų97140.7 Ų140.768%0.67876%0.758SS**  cis-173.1170.4-34.4-173.80000109.5
469E27.4Very low29.9Very low178 Ų178143.3 Ų143.383%0.83276%0.757SS**  trans87.4146146.7-150.1158.8-142.900121.6
470M35.4Very low30Very low161 Ų161143.8 Ų143.879%0.79376%0.76SS**  trans-146.1140.7176.2-104.9-85.887.400107.7
471P40.1Very low29.8Very low120 Ų120141.1 Ų141.178%0.77976%0.76SS**  -149.6-171.7117.733.9-13.7000115.3
472A28Very low29.5Very low92 Ų92140.3 Ų140.376%0.7676%0.761SS**  trans-106169.9-159.300000117
473S26.4Very low30.4Very low106 Ų106138.5 Ų138.574%0.74176%0.758SS**  154.6159.5117.960.40000116.9
474L26.6Very low30.3Very low163 Ų163139 Ų13985%0.85377%0.766SS**  trans73.6152.7163.3-53.2176.4000119.5
475S26.1Very low29.9Very low95 Ų95139.3 Ų139.366%0.66477%0.772SS**  cis-174.2170.4-30.2-160.50000110.9
476L26.6Very low29.8Very low160 Ų160140 Ų14084%0.83877%0.768SS**  trans69.6151.8169.9-94.970.3000118.6
477S28.5Very low29.4Very low87 Ų87138.8 Ų138.861%0.60877%0.767SS**  cis-162.4141.51.251.40000115.7
478Q33Very low29.4Very low184 Ų184135.6 Ų135.686%0.8676%0.762SS**  trans67155.2134.9-69.2-179-7000126.2
479Q27.2Very low29.4Very low172 Ų172137.3 Ų137.380%0.80476%0.763SS**  trans93.896.3160.1-151.3165.6600116.4
480E27.5Very low29.7Very low162 Ų162139.7 Ų139.776%0.75777%0.766SS**  67.9104.266.3-65.5-173154.200114.8
481D27.9Very low29.5Very low153 Ų153138.9 Ų138.982%0.81877%0.765SS**  165.9153.6115.6-88-33.4000115.2
482N26.1Very low29.1Very low156 Ų156139.7 Ų139.783%0.83476%0.761SS**  trans-127.2-172.5174.7-106-43.5000106.8
483P45.9Very low29.1Very low105 Ų105144.4 Ų144.468%0.68276%0.761SS**  cis-138.4-174.6-12.332.2-9.2000116.2
484S25.1Very low29.7Very low116 Ų116148.4 Ų148.481%0.81177%0.765SS**  trans77.4160.7149.696.50000118.5
485S25.4Very low29.9Very low113 Ų113148.4 Ų148.479%0.7976%0.76SS**  cis-165.3-173.81.3-162.90000110.8
486Y25.9Very low30.6Very low192 Ų192151.7 Ų151.775%0.75377%0.769SS**  trans82.2102.3159.8-176.2-82.3000117.7
487N27.1Very low31.2Very low121 Ų121149.4 Ų149.465%0.64776%0.764SS**  77.5150.292-72.6-16.2000115.4
488V30.4Very low31.3Very low114 Ų114149.6 Ų149.669%0.69177%0.766SS**  cis-158.8166.2-8.8126.30000109
489D31.8Very low31.2Very low133 Ų133148 Ų14871%0.71176%0.763SS**  trans-48.4160.5-178.9-47.8-71.2000118.6
490Y32.1Very low31.3Very low229 Ų229146.1 Ų146.190%0.89876%0.759SS**  -160143.4117.1-121.1-84.1000112.8
491D32.5Very low31.3Very low143 Ų143145.6 Ų145.677%0.76576%0.761SS**  trans-96.1-174-172.4-102.4-45.9000114.8
492I30.2Very low31.3Very low137 Ų137142.8 Ų142.870%0.70376%0.759SS**  trans73.2117.6156.8-10.3174000116.3
493Y27.9Very low31.7Very low191 Ų191140.8 Ų140.875%0.74976%0.757SS**  -169.5146.864-134.8-85.9000113.4H495Y493-H495 AromaticContact CD1-CD2 3.78Å; Y493-H495 AromaticContact CD1-NE2 3.53Å; Y493-H495 AromaticContact CE1-NE2 3.39Å; Y493-H495 WeakPolarHBondContact CE1-NE2 3.32Å
494K39.7Very low31Very low191 Ų191140 Ų14083%0.8376%0.76SS**  trans-86.1141.8168.9-77.8-164.6177.1-169.50111.6
495H31.2Very low31.4Very low163 Ų163142.7 Ų142.776%0.75576%0.759SS**  trans-153124146.8-82.8-61.3000114Y493Y493-H495 AromaticContact CD1-CD2 3.78Å; Y493-H495 AromaticContact CD1-NE2 3.53Å; Y493-H495 AromaticContact CE1-NE2 3.39Å; Y493-H495 WeakPolarHBondContact CE1-NE2 3.32Å
496L39.8Very low31.8Very low163 Ų163145.6 Ų145.685%0.85376%0.76SS**  trans-91147.5139.7-73.9163.9000106
497P40.4Very low32.3Very low112 Ų112143.1 Ų143.173%0.72777%0.765SS**  -1561649340.7-21.8000117.7
498S30.9Very low32.3Very low92 Ų92141.9 Ų141.964%0.64377%0.766SS**  24.2131.9126.8-157.60000121.7
499N30Very low32.5Very low149 Ų149144.2 Ų144.280%0.79777%0.769SS**  -178.7164.4107.5-96.93.6000114.6
500D30.1Very low32.5Very low134 Ų134146.8 Ų146.872%0.71777%0.769SS**  trans-91.8171.1-168.3-55.5-73.2000116.7
501N27.3Very low32.7Very low151 Ų151148 Ų14881%0.80777%0.772SS**  trans88.9115.7144.4-66.6-41.6000122.4
502A27.5Very low32.6Very low93 Ų93150 Ų15077%0.76977%0.768SS**  trans62.2127.2133.900000119.5
503S35.4Very low32.8Very low114 Ų114153.4 Ų153.480%0.79777%0.772SS**  179.5171.759.2530000113.3
504A30.3Very low33Very low90 Ų90152.2 Ų152.274%0.74477%0.774SS**  trans73.1112.715600000121.6
505H34.3Very low32.7Very low171 Ų171152 Ų15279%0.79277%0.773SS**  trans51.4121.3135.4-109.7-110.4000119.5
506E33.4Very low32.8Very low175 Ų175155.6 Ų155.682%0.81878%0.78SS**  -157.6156.659.8-90.4-164.3157.900114.6
507T35.2Very low32.5Very low140 Ų140157.8 Ų157.886%0.85978%0.782SS**  trans-92121.8175.849.60000113
508S28.1Very low32.1Very low95 Ų95164.2 Ų164.266%0.66479%0.792SS**  trans-151.9112.5173.9178.80000113.5
509H34.9Very low32.2Very low162 Ų162168.9 Ų168.975%0.7580%0.803SS**  trans61.4135.2141-67.6-36.4000120.9
510R31.5Very low32.5Very low188 Ų188169 Ų16971%0.70980%0.804SS**  cis-148150.55-61.6-167.1164.3-169.4-7.6112.6
511R36.3Very low32.4Very low254 Ų254170.2 Ų170.296%0.95881%0.805SS**  trans-97.6141.5149.5-70-171.1178.1-157.30.4110.5
512R30.1Very low32.6Very low184 Ų184171.1 Ų171.169%0.69480%0.804SS**  trans-158.2140.4172.3-116.3-171.9174.6178.8-1.2105.7
513R33.8Very low32.7Very low209 Ų209170.5 Ų170.579%0.78981%0.806SS**  cis-14415013.9-56.8174.5176.3-151.9-0.6110.3
514Q32.4Very low32.7Very low167 Ų167174.3 Ų174.378%0.7881%0.809SS**  trans-138.4143.3151.6-133.7-168.534.900109.3
515K33.3Very low32.6Very low187 Ų187179.3 Ų179.381%0.81382%0.817SS**  trans61.1114.9167.7-58.7177.1-176174.30117.9
516R34.3Very low32.7Very low238 Ų238182.4 Ų182.490%0.89882%0.821SS**  trans-122114.1154.3-93.8-171.7168.6-165.8-4.6109.4
517K34.1Very low33.2Very low208 Ų208179.3 Ų179.390%0.90482%0.817SS**  trans-152.6124.6152.9-93.5-165.8176.4-173.80106.9
518R31.9Very low33Very low248 Ų248182 Ų18294%0.93682%0.819SS**  trans-162.8141.6154.7-105.6-164.8-69.7-133.17.3109
519H32.4Very low33.3Very low189 Ų189186.9 Ų186.988%0.87583%0.829SS**  trans-87.5167.9172.3-81.9-114.8000111
520L35.1Very low32.9Very low153 Ų153188.3 Ų188.380%0.80184%0.836SS**  trans-149.5108.3154.2-163.369.9000104.2
521E29Very low33Very low158 Ų158187.7 Ų187.774%0.73884%0.841SS**  62.886.181.6-159.6172.3-131.900110.6
522E31.6Very low33Very low171 Ų171179.8 Ų179.880%0.79982%0.824SS**  92.393.785.6-167.9172.8-152.100112.4
523G30Very low33.1Very low79 Ų79179.2 Ų179.281%0.81483%0.827SS**  trans-101.5132162.300000109.4
524K34.2Very low33.1Very low194 Ų194176.7 Ų176.784%0.84382%0.824SS**  trans-75.6136.3-169-58.3167.7-177.6173.40112.2
525E29.5Very low33.3Very low195 Ų195176.4 Ų176.491%0.91182%0.82SS**  -165.5148.9121.6-110.9173.2-172.500113
526R36.2Very low33.4Very low237 Ų237177.6 Ų177.689%0.89482%0.819SS**  trans-160.3162.5177.6-99.9-171.7177.7-178.51.8106
527P44.2Very low33.6Very low110 Ų110174.7 Ų174.771%0.71481%0.813SS**  cis-129.3173.6-6.139.7-25.7000112.8
528E29.4Very low33.5Very low197 Ų197175 Ų17592%0.92181%0.809SS**  trans-152.1155.3134.1-126.6165.1-164.800112.8
529K35.1Very low33.4Very low197 Ų197168.2 Ų168.286%0.85780%0.799SS**  trans-109.1137-176.6-53.9165-177.3166.70107.6
530E27.5Very low33.3Very low192 Ų192168.1 Ų168.190%0.89779%0.793SS**  trans-150.3143.6136.9-132.1178.3159.400112.9
531Q31.9Very low33.6Very low174 Ų174167.5 Ų167.581%0.81379%0.786SS**  trans-95.3158166.3-65-168.5-900109.1
532S36.6Very low33.6Very low88 Ų88166.4 Ų166.462%0.61579%0.785SS**  124.2136.111984.50000118.7
533K33.7Very low34Very low173 Ų173166.2 Ų166.275%0.75278%0.781SS**  trans71.6123.1136.8-71.7160.9-171.2169.70121.5
534H33.2Very low34.2Very low156 Ų156168.5 Ų168.572%0.72278%0.775SS**  trans74.8156.2134.4-75.1-27.7000118.4
535K36.5Very low34.8Very low160 Ų160167 Ų16770%0.69678%0.775SS**  cis-152.71323.6-115.9152.9-174.2174.30106.7
536R34.6Very low35Very low213 Ų213165.2 Ų165.280%0.80477%0.772SS**  78.4115.679.6-171-163-170.6-178.86.8116.1
537K38.2Very low35.2Very low177 Ų177162.7 Ų162.777%0.7777%0.767SS**  trans162.3149.2135.2-96174.3-177.1178.10110.1
538R32Very low34.8Very low214 Ų214164.1 Ų164.181%0.80877%0.769SS**  cis-162.9165.8-8.8-160.7177.4-174.3172.3-0.6109.7
539S30.8Very low35.1Very low106 Ų106163.2 Ų163.274%0.74176%0.762SS**  trans82139.8148.850.80000120.8
540Y30.5Very low35Very low187 Ų187160.5 Ų160.573%0.73376%0.756SS**  cis-172.2124.2-14.9-177.7-104.8000110.1
541Q40.1Very low35.4Very low140 Ų140158 Ų15865%0.65475%0.748SS**  trans55.8159.5162.9-65.7180-10.600117.7
542D30.4Very low35.4Very low134 Ų134158.3 Ų158.372%0.71775%0.746SS**  cis-141.1161.711.5-153.810.4000114.6
543K39Very low35.2Very low167 Ų167162.2 Ų162.273%0.72676%0.755SS**  trans-54.4140.6-170.8-77.9175.5176.1-170.10117.7
544D35Very low35.1Very low127 Ų127159.6 Ų159.668%0.67976%0.758SS**  61.1107.587.2-66.8-43.9000113.1
545L46.8Very low35.4Very low163 Ų163162 Ų16285%0.85377%0.767SS**  62.4112.286.1-68.1178.9000113.8
546D32.8Very low35.3Very low158 Ų158164.2 Ų164.285%0.84577%0.771SS**  -153.2145.3128.1-149.1-8.8000112.5
547K41Very low35.2Very low183 Ų183159.9 Ų159.980%0.79676%0.76SS**  trans-139.6113.5164.4-84.5-169178-176.90106.8
548D35.9Very low35Very low141 Ų141159.4 Ų159.475%0.75476%0.76SS**  168.2165.2122.8-86.3-19000112.8
549K36.4Very low35Very low177 Ų177156.1 Ų156.177%0.7776%0.758SS**  trans98.5103.2151.3-51.5-162.6-178.8166.80120.8
550L31.6Very low35.4Very low141 Ų141161 Ų16174%0.73877%0.766SS**  72112.9122.7-85.3106.5000122.6
551I35.8Very low35.4Very low140 Ų140157.1 Ų157.172%0.71877%0.773SS**  44.1111.3124-40-176.5000119
552K32.3Very low34.8Very low179 Ų179153.5 Ų153.578%0.77877%0.773SS**  177.7129.7112.2-97178.8-173.1175.70116
553Q32.1Very low34.9Very low171 Ų171153.7 Ų153.780%0.79978%0.779SS**  trans50.2118.1135.2-63.2178.8-35.200123.4
554S32.3Very low34.5Very low118 Ų118150.8 Ų150.883%0.82578%0.779SS**  -179.8125.7122.233.70000108.3
555K38.9Very low34.6Very low207 Ų207150.4 Ų150.490%0.979%0.787SS**  73.194.962.3-85.9-161.6174.4-171.50116
556R34.7Very low33.8Very low206 Ų206151.7 Ų151.778%0.77779%0.788SS**  -168.4128.1127.9-110.1-172.7166.7-132.4-21.4109.8
557E32.4Very low33.9Very low122 Ų122153 Ų15357%0.5779%0.787SS**  73.5138.5111.1-80.5165.6-162.900113.8
558E34.5Very low33.6Very low166 Ų166150.5 Ų150.578%0.77679%0.787SS**  cis-150.816714.3-147.1164.3-150.700113.1
559D31.1Very low33.5Very low145 Ų145151.8 Ų151.878%0.77579%0.786SS**  trans-44.2151.5-172.8-60.1-35.4000120
560K40.2Very low33.4Very low209 Ų209151.4 Ų151.491%0.90979%0.786SS**  -145.6136114.1-70.6-154.8177.3177.50112.6
561A29.3Very low33.5Very low105 Ų105154.7 Ų154.787%0.86879%0.789SS**  trans-72.2164.9169.300000111.8
562G28.9Very low33.4Very low64 Ų64158.1 Ų158.166%0.6679%0.793SS**  cis168.2-166.3-0.200000110.9
563V31.1Very low33.8Very low138 Ų138159.3 Ų159.384%0.83680%0.798SS**  trans64.596.6163.8-168.60000115.2
564S32.3Very low34.2Very low106 Ų106160.9 Ų160.974%0.74180%0.802SS**  88.5105.854.580.50000116.5
565S35.5Very low34.3Very low119 Ų119165.8 Ų165.883%0.83280%0.803SS**  trans-178.7147.1156.155.70000108.1
566E30.9Very low34.1Very low190 Ų190163.9 Ų163.989%0.88879%0.794SS**  cis-157.1161-20.3-172.1165.3176.200106.4
567K33.8Very low34Very low187 Ų187161.2 Ų161.281%0.81379%0.79SS**  trans-88175-170.7-73173.5179.8164.90113.1
568T34.6Very low33.8Very low130 Ų130163.1 Ų163.180%0.79880%0.799SS**  trans98.7144.215473.30000116.4
569K35.5Very low33.5Very low168 Ų168161 Ų16173%0.7380%0.798SS**  cis166.6152.8-24.7-109.9178.6177.7-175.20104.8
570H33.3Very low33.4Very low169 Ų169159.4 Ų159.478%0.78280%0.798SS**  trans68.2156.7158.8-67.3-44.3000116.5
571R34.2Very low33Very low209 Ų209154.9 Ų154.979%0.78979%0.793SS**  cis-169.4138.1-5.2145.6-178.7173.5170.7-2.3112.6
572R33.2Very low33.5Very low213 Ų213158.9 Ų158.980%0.80479%0.793SS**  trans51.7112.7155.1-75.7-177173.9-172.8-0.6122.4
573K40.4Very low33.6Very low204 Ų204165 Ų16589%0.88780%0.802SS**  42.6117.2113.9-77.1-178.2171174.60121.5
574K41.2Very low33.7Very low203 Ų203166.1 Ų166.188%0.88380%0.798SS**  -141.2127.3122-83.9177.8176.61760105.7
575R35.5Very low33.9Very low222 Ų222167.2 Ų167.284%0.83879%0.791SS**  54.6123.469.2-81.3-168.2170.7-173.2-1111.6
576K33.5Very low34.1Very low167 Ų167171 Ų17173%0.72679%0.787SS**  cis-162.1161.810.2-99.1-177.9175.5-168.50110.3
577H32.5Very low34.6Very low150 Ų150170.6 Ų170.669%0.69478%0.783SS**  trans62.2150.1161.7-84.2-122.4000117
578E28Very low34.7Very low161 Ų161169.7 Ų169.775%0.75278%0.781SS**  cis-133.6169.216.9-156.7116.8-114.900113.5
579T28.7Very low35.2Very low121 Ų121172.1 Ų172.174%0.74278%0.78SS**  trans-77.5170.4-17751.50000113
580S28.5Very low35.2Very low112 Ų112173.2 Ų173.278%0.78379%0.785SS**  cis-160.8147.525.846.60000112.8
581S32.2Very low35.7Very low114 Ų114172.8 Ų172.880%0.79778%0.784SS**  trans171.4100.1139.7177.90000111.1
582E39Very low36.1Very low189 Ų189172 Ų17288%0.88379%0.786SS**  trans172.7132.3139.1-106-170.411100109
583K32.6Very low36.9Very low192 Ų192171.9 Ų171.984%0.83579%0.791SS**  trans-157.295.4156.4-143.7170.9-173.7-177.20113.8
584E32.5Very low36.9Very low163 Ų163171.4 Ų171.476%0.76279%0.789SS**  31.7112.9118.4-165.3179.5-168.400118.7
585E36Very low36.6Very low128 Ų128166.6 Ų166.660%0.59878%0.781SS**  trans26.8134.2139.5-72.5-151.3132.200124.1
586R40Very low36.8Very low198 Ų198162.8 Ų162.875%0.74778%0.782SS**  trans68.3118.1137.7-68168.7173152.6-3.3119
587K41Very low37.1Very low183 Ų183162.8 Ų162.880%0.79679%0.785SS**  -175.2136.5103.2-96.4171.2-175.9176.30115.6
588H35.7Very low37.8Very low168 Ų168164.3 Ų164.378%0.77879%0.792SS**  trans47.1111.4152.5-55.9-62.2000124.3
589K45.2Very low38.9Very low180 Ų180163.4 Ų163.478%0.78378%0.782SS**  37.1107.4125.7-160.2178.9-173.3-175.50119
590K36.8Very low40.4Very low192 Ų192162.2 Ų162.284%0.83578%0.775SS**  trans-139.6121.6145.6-172.6165.3-175.1171.10109.6
591E43.2Very low41.6Very low159 Ų159164.7 Ų164.774%0.74377%0.774SS**  trans-66.6138.1173.3-72.8164.9176.500110.1
592K41.7Very low42.7Very low192 Ų192166.3 Ų166.384%0.83577%0.769SS**  trans-130.1128160.6-77.4-172.5174.1-175.70107.5K594K592-K594 PolarHBondContact O-N 2.92Å
593K49.8Very low43.5Very low212 Ų212161 Ų16192%0.92274%0.744SS**PPolyproline II helixtrans-51.1132.9164.6-77.6178.5169.3-178.70108.3
594K40.3Very low45Very low193 Ų193156.1 Ų156.184%0.83973%0.726SS**PPolyproline II helixtrans-68.7133.3158-107.9-167.5169.2-155.90107.5K592K592-K594 PolarHBondContact O-N 2.92Å
595S35.1Very low46.1Very low103 Ų103153.6 Ų153.672%0.7272%0.717SS**PPolyproline II helixtrans-60.8148.8165.138.90000109.7E597S595-E597 PolarHBondContact O-N 2.98Å
596V41.2Very low47.2Very low141 Ų141156.8 Ų156.886%0.85572%0.724SS**PPolyproline II helixtrans-64.5124.3159.5172.40000106.3
597E38.4Very low47.8Very low168 Ų168151.9 Ų151.979%0.78571%0.713SS**  trans-89.9111.4172.3-163.5154.8-160.400105.5S595 R599S595-E597 PolarHBondContact O-N 2.98Å; E597-R599 PolarHBondContact O-N 3.03Å
598E47.3Very low48.4Very low181 Ų181149.8 Ų149.885%0.84671%0.706SS**  trans-70.8109.5-177-172.6166.8-162.700107.9T600E598-T600 PolarHBondContact O-N 3.21Å
599R50.8Low49.3Very low142 Ų142146.5 Ų146.554%0.53670%0.701SS.*  trans-61.5127.8178.8-74-172.6135.1-179.7-10.7109E597 E603 D607E597-R599 PolarHBondContact O-N 3.03Å; R599-E603 WeakPolarHBondContact CD-OE2 3.36Å; R599-E603 WeakPolarHBondContact CG-OE2 3.48Å; R599-E603 IonicContact CZ-OE1 3.57Å; R599-E603 IonicContact CZ-OE2 3.17Å; R599-E603 IonicContact NE-OE1 3.96Å; R599-E603 PolarHBondContact NE-OE1 2.61Å; R599-E603 IonicContact NE-OE2 3.01Å; R599-E603 PolarHBondContact NE-OE2 3.12Å; R599-E603 IonicContact NH2-OE1 3.66Å; R599-E603 PolarHBondContact NH2-OE1 3.5Å; R599-D607 IonicContact NH1-OD2 2.67Å
600T62.1Low49.7Very low96 Ų96144.2 Ų144.259%0.58970%0.697SS**  trans-67.8152176.945.10000111E598 E602 E603E598-T600 PolarHBondContact O-N 3.21Å; T600-E602 PolarHBondContact O-N 2.94Å; T600-E602 VanDerWaalsContact O-N 3.09Å; T600-E603 WeakPolarHBondContact O-CB 3.49Å; T600-E603 PolarHBondContact O-N 2.82Å
601E52.8Low50.2Low165 Ų165141.7 Ų141.777%0.77169%0.692SS**Hα-helixtrans-53.4-33.9-174.1-62.8162.2-127.200113E603 I604 L605E601-E603 VanDerWaalsContact C-N 3.32Å; E601-E603 PolarHBondContact O-N 2.86Å; E601-I604 PolarHBondContact O-N 3.26Å; E601-L605 PolarHBondContact O-N 3.22Å
602E55.7Low50.1Low147 Ų147137.8 Ų137.869%0.68769%0.694SS**Hα-helixtrans-64-29.7175.4-63-175.5157.500113.8T600 I604T600-E602 PolarHBondContact O-N 2.94Å; T600-E602 VanDerWaalsContact O-N 3.09Å; E602-I604 VanDerWaalsContact C-N 3.34Å
603E56.1Low50.2Low78 Ų78142 Ų14236%0.36471%0.713SS.*Hα-helixtrans-75.8-25.1178-158.7179.9177.900111.9R599 T600 E601R599-E603 WeakPolarHBondContact CD-OE2 3.36Å; R599-E603 WeakPolarHBondContact CG-OE2 3.48Å; R599-E603 IonicContact CZ-OE1 3.57Å; R599-E603 IonicContact CZ-OE2 3.17Å; R599-E603 IonicContact NE-OE1 3.96Å; R599-E603 PolarHBondContact NE-OE1 2.61Å; R599-E603 IonicContact NE-OE2 3.01Å; R599-E603 PolarHBondContact NE-OE2 3.12Å; R599-E603 IonicContact NH2-OE1 3.66Å; R599-E603 PolarHBondContact NH2-OE1 3.5Å; T600-E603 WeakPolarHBondContact O-CB 3.49Å; T600-E603 PolarHBondContact O-N 2.82Å; E601-E603 VanDerWaalsContact C-N 3.32Å; E601-E603 PolarHBondContact O-N 2.86Å
604I62.9Low50.2Low89 Ų89138.6 Ų138.646%0.45670%0.702SS.*Hα-helixtrans-72.1-39175.3-56.4176.6000110.3E601 E602 W606 D607E601-I604 PolarHBondContact O-N 3.26Å; E602-I604 VanDerWaalsContact C-N 3.34Å; I604-W606 PolarHBondContact O-N 3.3Å; I604-D607 PolarHBondContact O-N 3.05Å; I604-D607 VanDerWaalsContact O-N 3.1Å
605L56Low50.7Low110 Ų110135.7 Ų135.758%0.57670%0.695SS**Hα-helixtrans-64.6-21.3-179.2-69.6169.9000114.1E601E601-L605 PolarHBondContact O-N 3.22Å
606W59.2Low51.6Low195 Ų195137.5 Ų137.574%0.73969%0.694SS**Hα-helixtrans-78.5-27.7173.8-68.7103.9000113.5I604I604-W606 PolarHBondContact O-N 3.3Å
607D52.2Low52.2Low96 Ų96137.3 Ų137.351%0.51368%0.684SS.*Hα-helixtrans-76.8-23.3-179.8-78-22.5000111.8R599 I604R599-D607 IonicContact NH1-OD2 2.67Å; I604-D607 PolarHBondContact O-N 3.05Å; I604-D607 VanDerWaalsContact O-N 3.1Å
608E53.6Low53.1Low138 Ų138135.4 Ų135.465%0.64568%0.678SS**G310 helixtrans-81.2-17.7179.5-65-169.315300114.5I610E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.34Å
609S54.6Low53.5Low99 Ų99132.3 Ų132.369%0.69267%0.667SS**G310 helixtrans-84.82.6178.8-69.30000114.8
610I53.1Low53.7Low133 Ų133131.6 Ų131.668%0.68268%0.676SS**G310 helixtrans-98.7-15.9-179.1-62.6178.9000112.2E608E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.34Å
611L48.2Very low53Low139 Ų139134.4 Ų134.473%0.72868%0.683SS**SBendtrans-112.873.2173.7-63.2178.9000109.7F613L611-F613 PolarHBondContact O-N 2.95Å
612G40.9Very low53.1Low77 Ų77131.8 Ų131.879%0.79468%0.676SS**  trans-58.1126.3175.200000111.7
613F44.3Very low52.8Low281 Ų281130.5 Ų130.5100%1.23268%0.675SS**  trans-79.30165.2-80.7-89.7000110.7L611L611-F613 PolarHBondContact O-N 2.95Å

Retrieved 613 of 613 residues in 238 ms (Link to these results)