A0A087X6B0_POEFO Loading...

Doublesex and mab-3 related transcription factor 3a

AlphaFold DB , UniProt , Accession A0A087X6B0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low48.1Very low236 Ų236157.9 Ų157.9100%1.16384%0.839SS**  0154.10-143.563.987.600108.2
2N46.9Very low48.1Very low155 Ų155150 Ų15083%0.82982%0.823SS**  trans-90.2161.3-166.2-58.3-14.9000113.2
3G42.9Very low48.5Very low71 Ų71144.2 Ų144.273%0.73281%0.807SS**  trans158.560.1-179.600000111.8
4Y53.4Low49.2Very low239 Ų239142.6 Ų142.694%0.93781%0.806SS**  49.6109.288.9-99.9-85.5000114
5G40.4Very low49.7Very low71 Ų71141.3 Ų141.373%0.73280%0.802SS**  trans161.251.8177.900000114.8P7G5-P7 WeakPolarHBondContact O-CD 3.42Å
6S49.5Very low50.3Low120 Ų120139.6 Ų139.684%0.83980%0.802SS**  trans-78.1119.6174.8-179.80000110.6
7P55Low50.9Low109 Ų109140.5 Ų140.571%0.70880%0.797SS**  trans-93125.8177.434.1-28.2000111.2G5G5-P7 WeakPolarHBondContact O-CD 3.42Å
8Y48.2Very low51.2Low202 Ų202139.7 Ų139.779%0.79280%0.798SS**  trans51.695.2160.5-80.5-95.2000118.2Y10Y8-Y10 PolarHBondContact O-N 3.2Å
9L50.2Low51.7Low173 Ų173144.5 Ų144.591%0.90680%0.802SS**  trans-64.676.7135.8-72.1175.6000109.1M11L9-M11 PolarHBondContact O-N 3.42Å
10Y48Very low52.3Low189 Ų189141.2 Ų141.274%0.74179%0.794SS**  trans-68.398.8165.7-175.2-94.3000107.7Y8 G12Y8-Y10 PolarHBondContact O-N 3.2Å; Y10-G12 PolarHBondContact O-N 3.43Å
11M56.9Low53Low172 Ų172140.3 Ų140.385%0.84779%0.794SS**  trans-58.898.7173.2-81.2-103.9-75.500108.9L9 A13L9-M11 PolarHBondContact O-N 3.42Å; M11-A13 PolarHBondContact O-N 2.87Å
12G47.8Very low54.7Low63 Ų63136.5 Ų136.565%0.64978%0.778SS**  trans-67.177.5177.200000111.1Y10Y10-G12 PolarHBondContact O-N 3.43Å
13A53.9Low56.1Low75 Ų75137.9 Ų137.962%0.6278%0.779SS**  trans-53.5130.9166.900000108.1M11 V15M11-A13 PolarHBondContact O-N 2.87Å; A13-V15 PolarHBondContact O-N 3.38Å
14P58.5Low58.1Low122 Ų122145.7 Ų145.779%0.79279%0.787SS**  trans-64.7102.7-17926-33.4000108.5S16P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.32Å
15V55.7Low59.7Low123 Ų123138.8 Ų138.875%0.74577%0.769SS**  trans-61.196.1173.6-86.80000108.2A13 Q17A13-V15 PolarHBondContact O-N 3.38Å; V15-Q17 PolarHBondContact O-N 3.48Å
16S60.3Low62.2Low114 Ų114139.1 Ų139.180%0.79776%0.759SS**  trans-72.365.617560.90000109.2P14 P18P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.32Å; S16-P18 WeakPolarHBondContact O-CD 3.45Å
17Q60.7Low64.4Low154 Ų154138.3 Ų138.372%0.7274%0.74SS**  trans-52.7121.6173.3-70.8-174.1-9.100108V15 R19V15-Q17 PolarHBondContact O-N 3.48Å; Q17-R19 VanDerWaalsContact C-N 3.26Å; Q17-R19 PolarHBondContact O-N 3.2Å
18P56.3Low66.4Low126 Ų126133.6 Ų133.682%0.81871%0.71SS**  trans-709017428.6-32.6000107.8S16 A20S16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-A20 PolarHBondContact O-N 3.43Å
19R60.3Low68.7Low232 Ų232125.7 Ų125.788%0.87569%0.686SS**  trans-47.8119.3173-95-175.8169.8148.7-2.2108.1Q17Q17-R19 VanDerWaalsContact C-N 3.26Å; Q17-R19 PolarHBondContact O-N 3.2Å
20A63.8Low70.9Confident77 Ų77119.8 Ų119.864%0.63665%0.652SS**  trans-49.3128.8179.300000109.4P18 L22P18-A20 PolarHBondContact O-N 3.43Å; A20-L22 PolarHBondContact O-N 3.3Å
21P65.9Low73.2Confident123 Ų123110.9 Ų110.980%0.79962%0.617SS**  trans-58105.2-175.7-27.835.8000111.4Q23P21-Q23 PolarHBondContact O-N 3.33Å
22L73.9Confident75.1Confident157 Ų157110.2 Ų110.282%0.82261%0.605SS**  trans-61.7104179.9-67.4176.3000108.9A20 R24A20-L22 PolarHBondContact O-N 3.3Å; L22-R24 PolarHBondContact O-N 2.96Å
23Q75.9Confident77.5Confident184 Ų184108.4 Ų108.486%0.8658%0.581SS**  trans-56.595.4-178.3-74.4-83.2-1.100110.1P21 T25P21-Q23 PolarHBondContact O-N 3.33Å; Q23-T25 PolarHBondContact O-N 3.07Å; Q23-T25 VanDerWaalsContact O-N 3.11Å
24R85.4Confident79.6Confident235 Ų235107.8 Ų107.889%0.88757%0.565SS**  trans-69.6109.2-177-72.1-173.4174.7-175.6-1.7110.1L22L22-R24 PolarHBondContact O-N 2.96Å
25T86.6Confident81.4Confident93 Ų93105.3 Ų105.357%0.57156%0.561SS**  trans-55.2122.1179.5-30.70000110.8Q23 W39Q23-T25 PolarHBondContact O-N 3.07Å; Q23-T25 VanDerWaalsContact O-N 3.11Å; T25-W39 HydrophobicContact CG2-CE3 4.11Å; T25-W39 HydrophobicContact CG2-CZ3 4.38Å
26P93.7Very high83.3Confident79 Ų79102.1 Ų102.151%0.51354%0.542SS..  trans-68.1141.5-172.825-33.7000112L40P26-L40 HydrophobicContact CB-CB 4.11Å; P26-L40 HydrophobicContact CB-CD2 4.06Å; P26-L40 HydrophobicContact CG-CB 4.25Å; P26-L40 HydrophobicContact CG-CD2 4.43Å; P26-L40 WeakPolarHBondContact O-CB 3.48Å; P26-L40 PolarHBondContact O-N 3.18Å
27K95.6Very high85Confident103 Ų103102.4 Ų102.445%0.44853%0.534SS..BIsolated β-bridgetrans-107.8152.5178-62.3-173.6-179.1-175.20111A29 L37 S38 W39K27-A29 PolarHBondContact O-N 3.35Å; K27-L37 HydrophobicContact CD-CD2 4.47Å; K27-S38 CarbonylContact C-O 3.58Å; K27-S38 WeakPolarHBondContact CA-O 3.4Å; K27-S38 WeakPolarHBondContact CB-O 3.22Å; K27-W39 HydrophobicContact CD-CZ3 4.35Å; K27-W39 VanDerWaalsContact CE-CZ3 3.44Å; K27-W39 HydrophobicContact CG-CE3 3.88Å; K27-W39 HydrophobicContact CG-CZ3 4Å
28C96.4Very high86.7Confident10 Ų1096.6 Ų96.67%0.06851%0.51CS..  trans-67.5113.8178.2-177.20000111.3R30 C31 R32 S38 H43C28-R30 PolarHBondContact O-N 3.49Å; C28-C31 HydrophobicContact CB-CB 4.1Å; C28-C31 PolarHBondContact O-N 3.44Å; C28-R32 PolarHBondContact O-N 3.08Å; C28-R32 VanDerWaalsContact O-N 3.15Å; C28-S38 PolarHBondContact N-O 3.22Å; C28-H43 VanDerWaalsContact SG-CD2 3.55Å
29A96.3Very high88.5Confident36 Ų3697.6 Ų97.630%0.29850%0.498SS..Hα-helixtrans-68.1-34.2-177.700000113K27 R32 N33 I60K27-A29 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-OD1 2.93Å; A29-I60 HydrophobicContact CB-CD1 3.72Å; A29-I60 HydrophobicContact CB-CG2 4.45Å; A29-I60 WeakPolarHBondContact O-CD1 3.25Å
30R97Very high90.1Very high48 Ų4890.5 Ų90.518%0.18148%0.477CS..Hα-helixtrans-59.9-55.7173.2-77.6176.2168.1-84.32.8111.1C28 R32 N33 H34 F49 K50 C52 I61C28-R30 PolarHBondContact O-N 3.49Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.07Å; R30-N33 WeakPolarHBondContact O-CB 3.46Å; R30-N33 PolarHBondContact O-N 2.68Å; R30-N33 VanDerWaalsContact O-N 3.1Å; R30-H34 PolarHBondContact O-CD2 3.07Å; R30-F49 HydrophobicContact CB-CB 4.4Å; R30-F49 WeakPolarHBondContact CD-O 3.4Å; R30-F49 PolarHBondContact NH1-O 2.91Å; R30-K50 PolarHBondContact NE-O 3.49Å; R30-K50 PolarHBondContact NH1-O 3.44Å; R30-K50 VanDerWaalsContact NH1-O 3.08Å; R30-K50 PolarHBondContact NH2-O 3.47Å; R30-C52 PolarHBondContact NH1-O 2.8Å; R30-I61 VanDerWaalsContact NH2-CD1 3.3Å
31C97.3Very high91.6Very high2 Ų296.3 Ų96.31%0.01449%0.488CS..Hα-helixtrans-57.3-41.3179.3-65.20000112.6C28 N33 H34 G35 V36 H43 F49C28-C31 HydrophobicContact CB-CB 4.1Å; C28-C31 PolarHBondContact O-N 3.44Å; C31-N33 VanDerWaalsContact C-N 3.25Å; C31-N33 PolarHBondContact O-N 3.45Å; C31-H34 CarbonylContact O-C 2.94Å; C31-H34 WeakPolarHBondContact O-CA 3.21Å; C31-H34 PolarHBondContact O-N 2.98Å; C31-G35 PolarHBondContact O-N 2.95Å; C31-V36 CarbonylContact C-O 3.44Å; C31-V36 HydrophobicContact CB-CB 4.16Å; C31-V36 HydrophobicContact CB-CG1 4.41Å; C31-V36 WeakPolarHBondContact CB-O 3.48Å; C31-V36 PolarHBondContact O-N 3.12Å; C31-V36 VanDerWaalsContact O-N 3.07Å; C31-V36 VanDerWaalsContact O-O 3.07Å; C31-H43 PolarHBondContact SG-NE2 3.12Å; C31-F49 HydrophobicContact CB-CD2 4.28Å
32R96.8Very high92.9Very high159 Ų15993.2 Ų93.260%0.648%0.478SS*.Hα-helixtrans-57.2-35.3178-170-172.267.2126.35112.9C28 A29 R30 H34 G35 V36 L37C28-R32 PolarHBondContact O-N 3.08Å; C28-R32 VanDerWaalsContact O-N 3.15Å; A29-R32 PolarHBondContact O-N 3.24Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.07Å; R32-H34 PolarHBondContact O-N 2.99Å; R32-G35 PolarHBondContact O-N 3.14Å; R32-V36 PolarHBondContact N-O 2.81Å; R32-L37 HydrophobicContact CG-CD2 4.43Å
33N96.8Very high93.9Very high25 Ų2587 Ų8713%0.13445%0.445CS..Hα-helixtrans-66-22.9177.1-71-6.8000113.9A29 R30 C31 K56 C57 I60A29-N33 PolarHBondContact O-N 3.24Å; A29-N33 PolarHBondContact O-OD1 2.93Å; R30-N33 WeakPolarHBondContact O-CB 3.46Å; R30-N33 PolarHBondContact O-N 2.68Å; R30-N33 VanDerWaalsContact O-N 3.1Å; C31-N33 VanDerWaalsContact C-N 3.25Å; C31-N33 PolarHBondContact O-N 3.45Å; N33-K56 HydrophobicContact CB-CB 4.13Å; N33-K56 PolarHBondContact ND2-O 2.89Å; N33-K56 PolarHBondContact O-NZ 3.03Å; N33-C57 PolarHBondContact ND2-SG 3.25Å; N33-I60 WeakPolarHBondContact ND2-CD1 3.35Å
34H97.6Very high94.8Very high62 Ų6286.8 Ų86.829%0.28744%0.441SS..THydrogen-bonded Turntrans-105.619.6178.5-61-84.8000112.1R30 C31 R32 V36 F49 C52 C54 C57R30-H34 PolarHBondContact O-CD2 3.07Å; C31-H34 CarbonylContact O-C 2.94Å; C31-H34 WeakPolarHBondContact O-CA 3.21Å; C31-H34 PolarHBondContact O-N 2.98Å; R32-H34 PolarHBondContact O-N 2.99Å; H34-V36 PolarHBondContact O-N 2.82Å; H34-F49 HydrophobicContact CB-CD1 4.1Å; H34-F49 HydrophobicContact CB-CD2 4.2Å; H34-F49 HydrophobicContact CB-CE1 3.66Å; H34-F49 HydrophobicContact CB-CE2 3.78Å; H34-F49 HydrophobicContact CB-CG 4.34Å; H34-F49 HydrophobicContact CB-CZ 3.48Å; H34-F49 VanDerWaalsContact CB-CZ 3.48Å; H34-F49 AromaticContact CD2-CD1 3.42Å; H34-F49 VanDerWaalsContact CD2-CD1 3.42Å; H34-F49 WeakPolarHBondContact CD2-CD1 3.28Å; H34-F49 AromaticContact CD2-CD2 3.97Å; H34-F49 AromaticContact CD2-CE1 3.91Å; H34-F49 AromaticContact CD2-CG 3.45Å; H34-F49 VanDerWaalsContact CD2-CG 3.45Å; H34-F49 WeakPolarHBondContact CD2-CG 3.38Å; H34-F49 AromaticContact CE1-CD1 3.95Å; H34-F49 AromaticContact CG-CD1 3.57Å; H34-F49 AromaticContact CG-CE1 3.56Å; H34-F49 AromaticContact CG-CG 3.94Å; H34-F49 AromaticContact CG-CZ 3.91Å; H34-F49 AromaticContact ND1-CD1 3.9Å; H34-F49 AromaticContact ND1-CE1 3.85Å; H34-F49 AromaticContact NE2-CD1 3.71Å; H34-F49 AromaticContact NE2-CG 3.97Å; H34-C52 PolarHBondContact CE1-SG 2.75Å; H34-C52 PolarHBondContact NE2-SG 2.77Å; H34-C52 VanDerWaalsContact NE2-SG 3.44Å; H34-C54 VanDerWaalsContact CE1-SG 3.57Å; H34-C57 PolarHBondContact NE2-SG 3.44Å; H34-C57 VanDerWaalsContact NE2-SG 3.44Å
35G96.6Very high95.3Very high69 Ų6984.5 Ų84.571%0.71143%0.432SS*.THydrogen-bonded Turntrans76.4-7.6177.900000115.7C31 R32C31-G35 PolarHBondContact O-N 2.95Å; R32-G35 PolarHBondContact O-N 3.14Å
36V96.5Very high95.7Very high57 Ų5787.8 Ų87.835%0.34544%0.436SS..  trans-89.1123.6-178-178.80000110.4C31 R32 H34 F49C31-V36 CarbonylContact C-O 3.44Å; C31-V36 HydrophobicContact CB-CB 4.16Å; C31-V36 HydrophobicContact CB-CG1 4.41Å; C31-V36 WeakPolarHBondContact CB-O 3.48Å; C31-V36 PolarHBondContact O-N 3.12Å; C31-V36 VanDerWaalsContact O-N 3.07Å; C31-V36 VanDerWaalsContact O-O 3.07Å; R32-V36 PolarHBondContact N-O 2.81Å; H34-V36 PolarHBondContact O-N 2.82Å; V36-F49 HydrophobicContact CB-CE2 4.19Å; V36-F49 HydrophobicContact CG2-CE2 3.94Å; V36-F49 HydrophobicContact CG2-CZ 4.21Å
37L95.6Very high95.8Very high119 Ų11984.6 Ų84.662%0.62342%0.415SS*.  trans-88.5126.1171.2-64.4-178.7000110.5K27 R32K27-L37 HydrophobicContact CD-CD2 4.47Å; R32-L37 HydrophobicContact CG-CD2 4.43Å
38S95.5Very high95.9Very high33 Ų3389.6 Ų89.623%0.23143%0.431CS..  trans-143.7147.2172-1660000110K27 C28 H43K27-S38 CarbonylContact C-O 3.58Å; K27-S38 WeakPolarHBondContact CA-O 3.4Å; K27-S38 WeakPolarHBondContact CB-O 3.22Å; C28-S38 PolarHBondContact N-O 3.22Å; S38-H43 PolarHBondContact OG-CE1 3.42Å; S38-H43 PolarHBondContact OG-ND1 3.44Å
39W94.9Very high95.9Very high147 Ų14790.9 Ų90.956%0.55744%0.436SS*.BIsolated β-bridgetrans-74.5146.7176.6-56109000110.4T25 K27 H43T25-W39 HydrophobicContact CG2-CE3 4.11Å; T25-W39 HydrophobicContact CG2-CZ3 4.38Å; K27-W39 HydrophobicContact CD-CZ3 4.35Å; K27-W39 VanDerWaalsContact CE-CZ3 3.44Å; K27-W39 HydrophobicContact CG-CE3 3.88Å; K27-W39 HydrophobicContact CG-CZ3 4Å; W39-H43 WeakPolarHBondContact O-CB 3.43Å
40L94.6Very high95.9Very high83 Ų8393.8 Ų93.844%0.43544%0.442SS..SBendtrans-77.4-27.3-175.1-173.560.8000113.2P26 G42 H43P26-L40 HydrophobicContact CB-CB 4.11Å; P26-L40 HydrophobicContact CB-CD2 4.06Å; P26-L40 HydrophobicContact CG-CB 4.25Å; P26-L40 HydrophobicContact CG-CD2 4.43Å; P26-L40 WeakPolarHBondContact O-CB 3.48Å; P26-L40 PolarHBondContact O-N 3.18Å; L40-G42 PolarHBondContact O-N 3Å; L40-H43 PolarHBondContact O-N 3.44Å
41K93.7Very high95.9Very high198 Ų19897 Ų9786%0.86146%0.462SS*.THydrogen-bonded Turntrans-61.3126.3178.7-169177.5-179.2-177.30109.8H43K41-H43 PolarHBondContact O-N 3.45Å
42G93.7Very high95.9Very high58 Ų5898.4 Ų98.460%0.59847%0.472SS*.THydrogen-bonded Turntrans72.6-30.1-177.400000116L40 K44L40-G42 PolarHBondContact O-N 3Å; G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.18Å; G42-K44 VanDerWaalsContact O-N 3.15Å
43H96.1Very high96Very high28 Ų2896.4 Ų96.413%0.1348%0.477CS..THydrogen-bonded Turntrans-68.3-15.1-167.5-17776000116.3C28 C31 S38 W39 L40 K41 R45 Y46 C47C28-H43 VanDerWaalsContact SG-CD2 3.55Å; C31-H43 PolarHBondContact SG-NE2 3.12Å; S38-H43 PolarHBondContact OG-CE1 3.42Å; S38-H43 PolarHBondContact OG-ND1 3.44Å; W39-H43 WeakPolarHBondContact O-CB 3.43Å; L40-H43 PolarHBondContact O-N 3.44Å; K41-H43 PolarHBondContact O-N 3.45Å; H43-R45 PolarHBondContact O-N 3.49Å; H43-R45 VanDerWaalsContact O-N 3.11Å; H43-Y46 CarbonylContact O-C 3.52Å; H43-Y46 PolarHBondContact O-N 3.29Å; H43-Y46 VanDerWaalsContact O-N 3.14Å; H43-C47 WeakPolarHBondContact NE2-CB 3.36Å; H43-C47 PolarHBondContact NE2-SG 3.49Å; H43-C47 VanDerWaalsContact NE2-SG 3.38Å; H43-C47 WeakPolarHBondContact O-CB 3.47Å; H43-C47 PolarHBondContact O-N 3.1Å; H43-C47 VanDerWaalsContact O-N 3.13Å
44K94.2Very high96Very high178 Ų17897.1 Ų97.177%0.77448%0.484SS*.THydrogen-bonded Turntrans-54.2-35.4-175-175.5176.1-175.6-74.20114.1G42G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.18Å; G42-K44 VanDerWaalsContact O-N 3.15Å
45R94.9Very high96.1Very high187 Ų187101.2 Ų101.271%0.70650%0.503SS*.THydrogen-bonded Turntrans-81.7-41.1178.1-62.7-169.5-59.9-115.12.9112.4H43 C47H43-R45 PolarHBondContact O-N 3.49Å; H43-R45 VanDerWaalsContact O-N 3.11Å; R45-C47 VanDerWaalsContact C-N 3.28Å; R45-C47 PolarHBondContact O-N 3.34Å
46Y95.9Very high96.1Very high163 Ų163103.6 Ų103.664%0.63949%0.494SS*.SBendtrans-92.223.8-173.9-43.8-77.7000113H43 R48H43-Y46 CarbonylContact O-C 3.52Å; H43-Y46 PolarHBondContact O-N 3.29Å; H43-Y46 VanDerWaalsContact O-N 3.14Å; Y46-R48 PolarHBondContact O-N 2.94Å
47C96.8Very high96.2Very high12 Ų12100.9 Ų100.98%0.08148%0.478CS..  trans-82.4110.5-178-175.40000110.1H43 R45 F49 K50H43-C47 WeakPolarHBondContact NE2-CB 3.36Å; H43-C47 PolarHBondContact NE2-SG 3.49Å; H43-C47 VanDerWaalsContact NE2-SG 3.38Å; H43-C47 WeakPolarHBondContact O-CB 3.47Å; H43-C47 PolarHBondContact O-N 3.1Å; H43-C47 VanDerWaalsContact O-N 3.13Å; R45-C47 VanDerWaalsContact C-N 3.28Å; R45-C47 PolarHBondContact O-N 3.34Å; C47-F49 PolarHBondContact O-N 3.19Å; C47-K50 HydrophobicContact CB-CB 4.11Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 3.15Å
48R96.9Very high96.3Very high208 Ų20899.5 Ų99.579%0.78547%0.47SS*.THydrogen-bonded Turntrans-58.6-13.1177.7-167.716371.1-179.23.7114.2Y46Y46-R48 PolarHBondContact O-N 2.94Å
49F97.2Very high96.4Very high37 Ų37103 Ų10316%0.16249%0.485CS..THydrogen-bonded Turntrans-117.519.1175.9-49.3-77.2000112.9R30 C31 H34 V36 C47 D51 C52R30-F49 HydrophobicContact CB-CB 4.4Å; R30-F49 WeakPolarHBondContact CD-O 3.4Å; R30-F49 PolarHBondContact NH1-O 2.91Å; C31-F49 HydrophobicContact CB-CD2 4.28Å; H34-F49 HydrophobicContact CB-CD1 4.1Å; H34-F49 HydrophobicContact CB-CD2 4.2Å; H34-F49 HydrophobicContact CB-CE1 3.66Å; H34-F49 HydrophobicContact CB-CE2 3.78Å; H34-F49 HydrophobicContact CB-CG 4.34Å; H34-F49 HydrophobicContact CB-CZ 3.48Å; H34-F49 VanDerWaalsContact CB-CZ 3.48Å; H34-F49 AromaticContact CD2-CD1 3.42Å; H34-F49 VanDerWaalsContact CD2-CD1 3.42Å; H34-F49 WeakPolarHBondContact CD2-CD1 3.28Å; H34-F49 AromaticContact CD2-CD2 3.97Å; H34-F49 AromaticContact CD2-CE1 3.91Å; H34-F49 AromaticContact CD2-CG 3.45Å; H34-F49 VanDerWaalsContact CD2-CG 3.45Å; H34-F49 WeakPolarHBondContact CD2-CG 3.38Å; H34-F49 AromaticContact CE1-CD1 3.95Å; H34-F49 AromaticContact CG-CD1 3.57Å; H34-F49 AromaticContact CG-CE1 3.56Å; H34-F49 AromaticContact CG-CG 3.94Å; H34-F49 AromaticContact CG-CZ 3.91Å; H34-F49 AromaticContact ND1-CD1 3.9Å; H34-F49 AromaticContact ND1-CE1 3.85Å; H34-F49 AromaticContact NE2-CD1 3.71Å; H34-F49 AromaticContact NE2-CG 3.97Å; V36-F49 HydrophobicContact CB-CE2 4.19Å; V36-F49 HydrophobicContact CG2-CE2 3.94Å; V36-F49 HydrophobicContact CG2-CZ 4.21Å; C47-F49 PolarHBondContact O-N 3.19Å; F49-D51 PolarHBondContact O-N 3.08Å; F49-C52 HydrophobicContact CB-CB 4.09Å; F49-C52 WeakPolarHBondContact O-CB 3.11Å; F49-C52 PolarHBondContact O-N 2.84Å
50K96.1Very high96.5Very high97 Ų9797 Ų9742%0.42246%0.464SS..THydrogen-bonded Turntrans-47.7-44.8-180175.2-173.8156.5-71.70112.2R30 C47R30-K50 PolarHBondContact NE-O 3.49Å; R30-K50 PolarHBondContact NH1-O 3.44Å; R30-K50 VanDerWaalsContact NH1-O 3.08Å; R30-K50 PolarHBondContact NH2-O 3.47Å; C47-K50 HydrophobicContact CB-CB 4.11Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 3.15Å
51D96.5Very high96.6Very high114 Ų11496.5 Ų96.561%0.6146%0.461SS*.THydrogen-bonded Turntrans-112.517-173.3-53.9-61.7000112.3F49 T53F49-D51 PolarHBondContact O-N 3.08Å; D51-T53 PolarHBondContact O-N 2.86Å
52C97.4Very high96.8Very high33 Ų3391.2 Ų91.222%0.22344%0.44CS..  trans-68.8132.8175.9-173.50000111.4R30 H34 F49R30-C52 PolarHBondContact NH1-O 2.8Å; H34-C52 PolarHBondContact CE1-SG 2.75Å; H34-C52 PolarHBondContact NE2-SG 2.77Å; H34-C52 VanDerWaalsContact NE2-SG 3.44Å; F49-C52 HydrophobicContact CB-CB 4.09Å; F49-C52 WeakPolarHBondContact O-CB 3.11Å; F49-C52 PolarHBondContact O-N 2.84Å
53T97.8Very high97Very high116 Ų11696.6 Ų96.671%0.71244%0.442SS*.  trans-105.511.2-17649.50000113.8D51 I58D51-T53 PolarHBondContact O-N 2.86Å; T53-I58 WeakPolarHBondContact O-CD1 3.22Å
54C98.2Very high97Very high41 Ų41100.8 Ų100.828%0.27746%0.461SS..  trans-64.2150.6175.776.60000111.3H34 K56 C57 I58H34-C54 VanDerWaalsContact CE1-SG 3.57Å; C54-K56 VanDerWaalsContact C-N 3.33Å; C54-K56 PolarHBondContact O-N 2.98Å; C54-C57 CarbonylContact O-C 3.53Å; C54-C57 WeakPolarHBondContact O-CA 3.44Å; C54-C57 WeakPolarHBondContact O-CB 3.42Å; C54-C57 PolarHBondContact O-N 3.46Å; C54-I58 PolarHBondContact O-N 2.98Å
55E98Very high97.2Very high148 Ų148100.7 Ų100.769%0.69246%0.456SS*.Hα-helixtrans-46.6-50.5-176.8-177.5-173.6-157.200113.3C57 I58 L59E55-C57 PolarHBondContact O-N 2.79Å; E55-C57 VanDerWaalsContact O-N 3.12Å; E55-I58 PolarHBondContact O-N 3.37Å; E55-L59 HydrophobicContact CG-CD1 4.28Å; E55-L59 WeakPolarHBondContact O-CG 3.35Å; E55-L59 PolarHBondContact O-N 3.5Å
56K98Very high97.4Very high119 Ų11995.8 Ų95.852%0.51745%0.447SS..Hα-helixtrans-54.4-34.3176.9-67.8-176.1-74.71770112.9N33 C54N33-K56 HydrophobicContact CB-CB 4.13Å; N33-K56 PolarHBondContact ND2-O 2.89Å; N33-K56 PolarHBondContact O-NZ 3.03Å; C54-K56 VanDerWaalsContact C-N 3.33Å; C54-K56 PolarHBondContact O-N 2.98Å
57C97.8Very high97.5Very high0 Ų093.2 Ų93.20%044%0.442CS..Hα-helixtrans-83.2-35.6177.5-76.30000112.5N33 H34 C54 E55 L59 I60 I61N33-C57 PolarHBondContact ND2-SG 3.25Å; H34-C57 PolarHBondContact NE2-SG 3.44Å; H34-C57 VanDerWaalsContact NE2-SG 3.44Å; C54-C57 CarbonylContact O-C 3.53Å; C54-C57 WeakPolarHBondContact O-CA 3.44Å; C54-C57 WeakPolarHBondContact O-CB 3.42Å; C54-C57 PolarHBondContact O-N 3.46Å; E55-C57 PolarHBondContact O-N 2.79Å; E55-C57 VanDerWaalsContact O-N 3.12Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 2.82Å; C57-I60 WeakPolarHBondContact O-CB 3.14Å; C57-I60 PolarHBondContact O-N 3.45Å; C57-I60 VanDerWaalsContact O-N 3.08Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 2.98Å; C57-I61 VanDerWaalsContact O-N 3.14Å
58I98.1Very high97.5Very high90 Ų9095.5 Ų95.546%0.46246%0.462SS..Hα-helixtrans-56.6-46.8169.9-65.1173.8000110.3T53 C54 E55 I60 I61 E62T53-I58 WeakPolarHBondContact O-CD1 3.22Å; C54-I58 PolarHBondContact O-N 2.98Å; E55-I58 PolarHBondContact O-N 3.37Å; I58-I60 PolarHBondContact O-N 2.95Å; I58-I60 VanDerWaalsContact O-N 3.12Å; I58-I61 WeakPolarHBondContact O-CB 3.34Å; I58-I61 PolarHBondContact O-N 2.9Å; I58-E62 PolarHBondContact O-N 2.89Å
59L97.7Very high97.6Very high105 Ų10588.5 Ų88.555%0.5545%0.449SS..Hα-helixtrans-61-20.4176.9-67.7171.8000114.1E55 C57 R63E55-L59 HydrophobicContact CG-CD1 4.28Å; E55-L59 WeakPolarHBondContact O-CG 3.35Å; E55-L59 PolarHBondContact O-N 3.5Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 2.82Å; L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.26Å; L59-R63 PolarHBondContact O-N 2.69Å
60I96.8Very high97.6Very high21 Ų2192.1 Ų92.111%0.10847%0.466CS..Hα-helixtrans-81.8-41.9170.9-69.2176.1000111A29 N33 C57 I58 R63 Q64A29-I60 HydrophobicContact CB-CD1 3.72Å; A29-I60 HydrophobicContact CB-CG2 4.45Å; A29-I60 WeakPolarHBondContact O-CD1 3.25Å; N33-I60 WeakPolarHBondContact ND2-CD1 3.35Å; C57-I60 WeakPolarHBondContact O-CB 3.14Å; C57-I60 PolarHBondContact O-N 3.45Å; C57-I60 VanDerWaalsContact O-N 3.08Å; I58-I60 PolarHBondContact O-N 2.95Å; I58-I60 VanDerWaalsContact O-N 3.12Å; I60-R63 PolarHBondContact O-N 2.91Å; I60-Q64 HydrophobicContact CG2-CG 4.38Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.29Å; I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 3.46Å
61I96.4Very high97.8Very high73 Ų7390.8 Ų90.837%0.37447%0.466SS..Hα-helixtrans-60.1-49178.9-60.4165.6000109.5R30 C57 I58 R63 Q64 R65R30-I61 VanDerWaalsContact NH2-CD1 3.3Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 2.98Å; C57-I61 VanDerWaalsContact O-N 3.14Å; I58-I61 WeakPolarHBondContact O-CB 3.34Å; I58-I61 PolarHBondContact O-N 2.9Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-Q64 WeakPolarHBondContact O-CB 3.44Å; I61-Q64 PolarHBondContact O-N 2.94Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; I61-R65 PolarHBondContact O-N 3.49Å
62E97.9Very high97.8Very high88 Ų8888.1 Ų88.141%0.41146%0.459SS..Hα-helixtrans-69-38.2-177.6-165.350.2-133.400111.9I58 Q64 R65 V66I58-E62 PolarHBondContact O-N 2.89Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.17Å; E62-R65 WeakPolarHBondContact O-CB 3.5Å; E62-R65 PolarHBondContact O-N 3.35Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 WeakPolarHBondContact OE1-CD 3.29Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.1Å
63R97.9Very high97.8Very high170 Ų17090.8 Ų90.864%0.64247%0.471SS*.Hα-helixtrans-58.6-40169.6-176.9-178.9-59.8-88.4-3.9112.2L59 I60 I61 M67L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.26Å; L59-R63 PolarHBondContact O-N 2.69Å; I60-R63 PolarHBondContact O-N 2.91Å; I61-R63 PolarHBondContact O-N 2.94Å; R63-M67 HydrophobicContact CG-CG 4.49Å; R63-M67 HydrophobicContact CG-SD 4.12Å; R63-M67 WeakPolarHBondContact O-CB 3.42Å; R63-M67 VanDerWaalsContact O-CG 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 3.5Å
64Q96.9Very high97.8Very high116 Ų11693.1 Ų93.154%0.54247%0.467SS..Hα-helixtrans-68.3-36.9176.7-75.9175.7-8.200111.9I60 I61 E62 A68I60-Q64 HydrophobicContact CG2-CG 4.38Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.29Å; I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 3.46Å; I61-Q64 WeakPolarHBondContact O-CB 3.44Å; I61-Q64 PolarHBondContact O-N 2.94Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.17Å; Q64-A68 VanDerWaalsContact O-CB 3.27Å; Q64-A68 WeakPolarHBondContact O-CB 3.19Å; Q64-A68 PolarHBondContact O-N 2.88Å
65R98.1Very high97.8Very high176 Ų17699.2 Ų99.266%0.66448%0.484SS*.Hα-helixtrans-60.9-51.6172.6-178.7176.6-179.4159.62.9111.7I61 E62 M67 A68 A69I61-R65 PolarHBondContact O-N 3.49Å; E62-R65 WeakPolarHBondContact O-CB 3.5Å; E62-R65 PolarHBondContact O-N 3.35Å; E62-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 WeakPolarHBondContact OE1-CD 3.29Å; R65-M67 PolarHBondContact O-N 3.21Å; R65-A68 PolarHBondContact O-N 3.38Å; R65-A69 PolarHBondContact O-N 2.9Å
66V98.1Very high97.7Very high85 Ų8597.8 Ų97.852%0.51548%0.477SS..Hα-helixtrans-61.6-44.2177.8174.60000111.4E62 A68 A69 Q70E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.1Å; V66-A68 PolarHBondContact O-N 3.2Å; V66-A69 PolarHBondContact O-N 2.94Å; V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 PolarHBondContact O-N 3.08Å
67M98.2Very high97.7Very high108 Ų10896.8 Ų96.853%0.53247%0.474SS..Hα-helixtrans-64.3-37.6176.1-74.3-178.770.300112.7R63 R65 Q70 V71R63-M67 HydrophobicContact CG-CG 4.49Å; R63-M67 HydrophobicContact CG-SD 4.12Å; R63-M67 WeakPolarHBondContact O-CB 3.42Å; R63-M67 VanDerWaalsContact O-CG 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 3.5Å; R65-M67 PolarHBondContact O-N 3.21Å; M67-Q70 PolarHBondContact O-N 3.13Å; M67-V71 WeakPolarHBondContact O-CB 3.32Å; M67-V71 VanDerWaalsContact O-CG2 3.29Å; M67-V71 WeakPolarHBondContact O-CG2 3.37Å; M67-V71 PolarHBondContact O-N 3.28Å
68A98.2Very high97.5Very high61 Ų6199 Ų9950%0.50449%0.493SS..Hα-helixtrans-64.5-44.7175.900000111.5Q64 R65 V66 V71 A72Q64-A68 VanDerWaalsContact O-CB 3.27Å; Q64-A68 WeakPolarHBondContact O-CB 3.19Å; Q64-A68 PolarHBondContact O-N 2.88Å; R65-A68 PolarHBondContact O-N 3.38Å; V66-A68 PolarHBondContact O-N 3.2Å; A68-V71 PolarHBondContact O-N 3.38Å; A68-A72 WeakPolarHBondContact O-CB 3.07Å; A68-A72 PolarHBondContact O-N 3.18Å
69A98.1Very high97.2Very high61 Ų6199 Ų9950%0.50449%0.494SS..Hα-helixtrans-61.3-43.7174.500000112.1R65 V66 V71 A72 L73R65-A69 PolarHBondContact O-N 2.9Å; V66-A69 PolarHBondContact O-N 2.94Å; A69-V71 PolarHBondContact O-N 3.2Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 2.8Å
70Q98.5Very high96.8Very high112 Ų11298.5 Ų98.552%0.52349%0.489SS..Hα-helixtrans-65.5-36.7177.7-166.6-176.931.500112.7V66 M67 R74V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 PolarHBondContact O-N 3.08Å; M67-Q70 PolarHBondContact O-N 3.13Å; Q70-R74 PolarHBondContact O-N 3.41Å; Q70-R74 VanDerWaalsContact O-N 3.08Å
71V98.3Very high96.3Very high70 Ų70100.1 Ų100.142%0.42450%0.502SS..Hα-helixtrans-71.4-37.3174.71690000111.4M67 A68 A69 R75M67-V71 WeakPolarHBondContact O-CB 3.32Å; M67-V71 VanDerWaalsContact O-CG2 3.29Å; M67-V71 WeakPolarHBondContact O-CG2 3.37Å; M67-V71 PolarHBondContact O-N 3.28Å; A68-V71 PolarHBondContact O-N 3.38Å; A69-V71 PolarHBondContact O-N 3.2Å; V71-R75 WeakPolarHBondContact O-CB 3.3Å; V71-R75 VanDerWaalsContact O-CG 3.26Å; V71-R75 WeakPolarHBondContact O-CG 3.49Å; V71-R75 PolarHBondContact O-N 3.05Å
72A97.9Very high95.4Very high57 Ų57101.6 Ų101.647%0.47151%0.51SS..Hα-helixtrans-63.1-49.6173.500000111.3A68 A69 R74 R75 Q76A68-A72 WeakPolarHBondContact O-CB 3.07Å; A68-A72 PolarHBondContact O-N 3.18Å; A69-A72 PolarHBondContact O-N 2.85Å; A72-R74 PolarHBondContact O-N 2.86Å; A72-R75 WeakPolarHBondContact O-CB 3.39Å; A72-R75 PolarHBondContact O-N 3.11Å; A72-R75 VanDerWaalsContact O-N 3.09Å; A72-Q76 PolarHBondContact O-N 3Å
73L97.9Very high94.4Very high89 Ų89102.4 Ų102.447%0.46651%0.514SS..Hα-helixtrans-57.6-46.2176.7179.261.9000112A69 R75 Q76 Q77A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 2.8Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.86Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.91Å; L73-Q77 HydrophobicContact CD1-CG 4.48Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.38Å
74R97.8Very high93.1Very high165 Ų16599 Ų9962%0.62352%0.516SS*.Hα-helixtrans-64.8-32.6177.1-169-177.1-61168.82.6112.6Q70 A72 A78Q70-R74 PolarHBondContact O-N 3.41Å; Q70-R74 VanDerWaalsContact O-N 3.08Å; A72-R74 PolarHBondContact O-N 2.86Å; R74-A78 WeakPolarHBondContact O-CB 3.4Å; R74-A78 PolarHBondContact O-N 2.8Å
75R97.4Very high91.7Very high169 Ų16999.9 Ų99.964%0.63852%0.524SS*.Hα-helixtrans-70.5-40173.8-75.7171.2176.2-164.8-2.8111.5V71 A72 L73 A78 N79V71-R75 WeakPolarHBondContact O-CB 3.3Å; V71-R75 VanDerWaalsContact O-CG 3.26Å; V71-R75 WeakPolarHBondContact O-CG 3.49Å; V71-R75 PolarHBondContact O-N 3.05Å; A72-R75 WeakPolarHBondContact O-CB 3.39Å; A72-R75 PolarHBondContact O-N 3.11Å; A72-R75 VanDerWaalsContact O-N 3.09Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.86Å; R75-A78 PolarHBondContact O-N 2.92Å; R75-N79 PolarHBondContact O-N 3.05Å; R75-N79 PolarHBondContact O-ND2 3.25Å
76Q96.6Very high90.2Very high119 Ų11995.5 Ų95.556%0.55651%0.513SS*.Hα-helixtrans-59.3-49.6172-177.4177.4-13.400110.4A72 L73 A78 N79 E80A72-Q76 PolarHBondContact O-N 3Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.91Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 3.22Å; Q76-N79 PolarHBondContact O-N 3.09Å; Q76-E80 WeakPolarHBondContact O-CG 3.27Å; Q76-E80 PolarHBondContact O-N 2.79Å
77Q96.3Very high88.5Confident97 Ų9795.3 Ų95.345%0.45351%0.513SS..Hα-helixtrans-57.3-36175.8-72.5173.5-2700113.6L73 E80 S81L73-Q77 HydrophobicContact CD1-CG 4.48Å; L73-Q77 WeakPolarHBondContact O-CG 3.45Å; L73-Q77 PolarHBondContact O-N 3.38Å; Q77-E80 WeakPolarHBondContact CA-OE1 3.24Å; Q77-E80 WeakPolarHBondContact CG-OE1 3.42Å; Q77-S81 VanDerWaalsContact O-CB 3.27Å; Q77-S81 WeakPolarHBondContact O-CB 3.29Å; Q77-S81 PolarHBondContact O-N 2.94Å; Q77-S81 PolarHBondContact O-OG 3.47Å
78A93.4Very high86.7Confident47 Ų4795.8 Ų95.839%0.38851%0.514SS..Hα-helixtrans-69.1-43.4173.300000112.2R74 R75 Q76 S81 L82R74-A78 WeakPolarHBondContact O-CB 3.4Å; R74-A78 PolarHBondContact O-N 2.8Å; R75-A78 PolarHBondContact O-N 2.92Å; Q76-A78 VanDerWaalsContact C-N 3.27Å; Q76-A78 PolarHBondContact O-N 3.22Å; A78-S81 PolarHBondContact O-OG 3.24Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.03Å
79N92.1Very high84.9Confident91 Ų9197.4 Ų97.449%0.48752%0.521SS..Hα-helixtrans-69.1-47.7179.4-72.8-75.7000111.9R75 Q76 S81 L82 E83R75-N79 PolarHBondContact O-N 3.05Å; R75-N79 PolarHBondContact O-ND2 3.25Å; Q76-N79 PolarHBondContact O-N 3.09Å; N79-S81 PolarHBondContact O-N 3.37Å; N79-L82 CarbonylContact O-C 3.58Å; N79-L82 WeakPolarHBondContact O-CA 3.26Å; N79-L82 WeakPolarHBondContact O-CB 3.26Å; N79-L82 PolarHBondContact O-N 2.88Å; N79-E83 WeakPolarHBondContact O-CG 3.49Å; N79-E83 PolarHBondContact O-N 2.94Å
80E90.2Very high82.9Confident93 Ų93100.4 Ų100.444%0.43553%0.528SS..Hα-helixtrans-62.2-32.6178.275.5-162.9-177.600111.5Q76 Q77 L82 E83 S84Q76-E80 WeakPolarHBondContact O-CG 3.27Å; Q76-E80 PolarHBondContact O-N 2.79Å; Q77-E80 WeakPolarHBondContact CA-OE1 3.24Å; Q77-E80 WeakPolarHBondContact CG-OE1 3.42Å; E80-L82 PolarHBondContact O-N 2.96Å; E80-E83 PolarHBondContact O-N 3.49Å; E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.23Å; E80-S84 PolarHBondContact O-N 3.14Å; E80-S84 PolarHBondContact O-OG 3.15Å; E80-S84 VanDerWaalsContact O-OG 3.08Å
81S86.3Confident81.1Confident56 Ų56101 Ų10139%0.39253%0.526SS..Hα-helixtrans-66.1-33.2171.877.50000113.4Q77 A78 N79 S84 L85Q77-S81 VanDerWaalsContact O-CB 3.27Å; Q77-S81 WeakPolarHBondContact O-CB 3.29Å; Q77-S81 PolarHBondContact O-N 2.94Å; Q77-S81 PolarHBondContact O-OG 3.47Å; A78-S81 PolarHBondContact O-OG 3.24Å; N79-S81 PolarHBondContact O-N 3.37Å; S81-S84 PolarHBondContact O-OG 3.35Å; S81-S84 VanDerWaalsContact O-OG 3.04Å; S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 VanDerWaalsContact O-CG 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å
82L78.3Confident78.9Confident104 Ų104103.1 Ų103.155%0.54554%0.539SS..Hα-helixtrans-78.2-40.8174.8-69.4169.8000111.7A78 N79 E80 S84 L85 I86A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.03Å; N79-L82 CarbonylContact O-C 3.58Å; N79-L82 WeakPolarHBondContact O-CA 3.26Å; N79-L82 WeakPolarHBondContact O-CB 3.26Å; N79-L82 PolarHBondContact O-N 2.88Å; E80-L82 PolarHBondContact O-N 2.96Å; L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 3.11Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3Å
83E75.8Confident76.4Confident105 Ų105106.6 Ų106.649%0.49155%0.549SS..Hα-helixtrans-66.4-31.1177.8-69174.5141.700112.6N79 E80 L85 I86N79-E83 WeakPolarHBondContact O-CG 3.49Å; N79-E83 PolarHBondContact O-N 2.94Å; E80-E83 PolarHBondContact O-N 3.49Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-I86 PolarHBondContact O-N 3.34Å
84S70.3Confident74.2Confident97 Ų97108.2 Ų108.268%0.67857%0.565SS**THydrogen-bonded Turntrans-75.4-15171.369.80000114.1E80 S81 L82E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.23Å; E80-S84 PolarHBondContact O-N 3.14Å; E80-S84 PolarHBondContact O-OG 3.15Å; E80-S84 VanDerWaalsContact O-OG 3.08Å; S81-S84 PolarHBondContact O-OG 3.35Å; S81-S84 VanDerWaalsContact O-OG 3.04Å; L82-S84 VanDerWaalsContact C-N 3.31Å; L82-S84 PolarHBondContact O-N 3.11Å
85L67.6Low71.9Confident135 Ų135104 Ų10471%0.70757%0.572SS**THydrogen-bonded Turntrans-94.4-8173.8-72.2169.3000113.2S81 L82 E83 P87S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 VanDerWaalsContact O-CG 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; E83-L85 VanDerWaalsContact C-N 3.29Å; L85-P87 WeakPolarHBondContact O-CD 3.26Å
86I67.2Low69.4Low85 Ų85103.3 Ų103.344%0.43658%0.58SS.*SBendtrans-91.8115173.3-65.6166.4000108.5L82 E83L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3Å; E83-I86 PolarHBondContact O-N 3.34Å
87P63.1Low66.7Low80 Ų80100.9 Ų100.952%0.51959%0.586SS.*  trans-61.8140178.4-2435.4000112.5L85 S89 L90L85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-S89 PolarHBondContact O-N 2.97Å; P87-L90 PolarHBondContact O-N 2.94Å; P87-L90 VanDerWaalsContact O-N 3.11Å
88E59.3Low64.1Low118 Ų118105.1 Ų105.155%0.55161%0.608SS**G310 helixtrans-56.1-26.2-177.7-153.958.9-134.500113.6L90 R91E88-L90 PolarHBondContact O-N 3.39Å; E88-L90 VanDerWaalsContact O-N 3.11Å; E88-R91 VanDerWaalsContact CD-NE 3.32Å; E88-R91 PolarHBondContact O-N 3Å; E88-R91 IonicContact OE1-CZ 3.69Å; E88-R91 IonicContact OE1-NE 2.85Å; E88-R91 PolarHBondContact OE1-NE 2.9Å; E88-R91 IonicContact OE1-NH2 3.83Å; E88-R91 IonicContact OE2-CZ 2.66Å; E88-R91 VanDerWaalsContact OE2-CZ 3.3Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.1Å; E88-R91 IonicContact OE2-NH2 3.3Å; E88-R91 PolarHBondContact OE2-NH2 3.32Å
89S59.5Low61.6Low95 Ų95108.1 Ų108.166%0.66463%0.627SS**G310 helixtrans-60.2-16.917851.50000115P87P87-S89 PolarHBondContact O-N 2.97Å
90L57.4Low58.9Low124 Ų124107.5 Ų107.565%0.64964%0.642SS**G310 helixtrans-96.4-7174.7-68176.9000114P87 E88P87-L90 PolarHBondContact O-N 2.94Å; P87-L90 VanDerWaalsContact O-N 3.11Å; E88-L90 PolarHBondContact O-N 3.39Å; E88-L90 VanDerWaalsContact O-N 3.11Å
91R60.4Low56.4Low125 Ų125108.4 Ų108.447%0.47267%0.665SS.*SBendtrans-85.7-6.9177.2-71.6-163.9-93-126.5-11.5114E88E88-R91 VanDerWaalsContact CD-NE 3.32Å; E88-R91 PolarHBondContact O-N 3Å; E88-R91 IonicContact OE1-CZ 3.69Å; E88-R91 IonicContact OE1-NE 2.85Å; E88-R91 PolarHBondContact OE1-NE 2.9Å; E88-R91 IonicContact OE1-NH2 3.83Å; E88-R91 IonicContact OE2-CZ 2.66Å; E88-R91 VanDerWaalsContact OE2-CZ 3.3Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.1Å; E88-R91 IonicContact OE2-NH2 3.3Å; E88-R91 PolarHBondContact OE2-NH2 3.32Å
92V50.9Low53.9Low114 Ų114109.2 Ų109.269%0.69168%0.682SS**  trans-123.469.9-178.1-170.60000111.5
93L47.3Very low52Low131 Ų131112.3 Ų112.369%0.68670%0.699SS**  trans-131.195.2165.6-95.1169.6000110.2G95L93-G95 PolarHBondContact O-N 2.99Å
94P50.3Low50.1Low123 Ų123110.5 Ų110.580%0.79971%0.709SS**  trans-70114.1174-16.431.1000111.1
95G51.1Low48.5Very low75 Ų75110.3 Ų110.377%0.77371%0.707SS**  trans68.582.3157.800000117.5L93L93-G95 PolarHBondContact O-N 2.99Å
96I43.8Very low47.1Very low156 Ų156113 Ų11380%0.872%0.717SS**  trans-115.3102.8145.8-60.2178.7000106.9
97G39.6Very low45.4Very low67 Ų67112.9 Ų112.969%0.69174%0.736SS**  trans-79.5121.117900000111.3S99G97-S99 PolarHBondContact O-N 2.85Å; G97-S99 VanDerWaalsContact O-N 3.09Å
98M42.1Very low44Very low186 Ų186113.7 Ų113.792%0.91675%0.749SS**  trans-85.459.3170.5-16564.473.200110.6
99S41.5Very low43.3Very low111 Ų111114 Ų11478%0.77676%0.761SS**  trans-92.999.2171.5-66.30000108.8G97 A101G97-S99 PolarHBondContact O-N 2.85Å; G97-S99 VanDerWaalsContact O-N 3.09Å; S99-A101 PolarHBondContact O-N 3.3Å
100G35.8Very low42.4Very low78 Ų78115.4 Ų115.480%0.80477%0.768SS**  trans-60.7129.9168.900000110
101A36.9Very low41.4Very low111 Ų111113.8 Ų113.892%0.91777%0.773SS**  trans-76.5139.7-171.100000113.1S99S99-A101 PolarHBondContact O-N 3.3Å
102G34.4Very low40Very low73 Ų73119.3 Ų119.375%0.75379%0.794SS**  trans-140.7118.2162.400000107.4
103D38.3Very low39Very low169 Ų169118.4 Ų118.490%0.90479%0.793SS**  trans-61.6152.8-163.9-172.421.7000114.7
104G34.9Very low38.3Very low68 Ų68121 Ų12170%0.70180%0.802SS**  trans177.329.4-170.400000121.2
105S38Very low37.5Very low92 Ų92123.6 Ų123.664%0.64380%0.803SS**  trans50.8121.6158.8-81.40000122.9
106Q36.9Very low36.6Very low193 Ų193126.5 Ų126.590%0.90280%0.8SS**  trans69.5126.3138.5-59.7176.767.800121.3
107G30.9Very low35.8Very low81 Ų81127.2 Ų127.284%0.83580%0.8SS**  trans158.8100.8163.900000114.2
108A35.5Very low35.4Very low98 Ų98132.1 Ų132.181%0.8181%0.809SS**PPolyproline II helixtrans-91.8154175.300000111.9
109P44.4Very low34.7Very low123 Ų123134.4 Ų134.480%0.79981%0.808SS**PPolyproline II helixtrans-93.4151.5-165.135.8-36.3000114.8
110P40.6Very low34.1Very low125 Ų125141.5 Ų141.581%0.81282%0.818SS**PPolyproline II helixtrans-93.8149.3153.435.5-29.3000111.3
111A36Very low33.8Very low91 Ų91143.7 Ų143.775%0.75282%0.821SS**  trans-111.8168165.700000110
112R30.2Very low33.4Very low240 Ų240142.5 Ų142.591%0.90682%0.819SS**  trans82.9156.8-172.5-54.8170.2169.7-176.5-5.6114.7
113S31.3Very low33Very low96 Ų96143.9 Ų143.967%0.67182%0.823SS**  cis-179.5148.6-35.4-87.40000106.5
114E32.5Very low32.6Very low186 Ų186144.3 Ų144.387%0.86982%0.82SS**  trans76.4142.8161.3-29.4-155.7139.500119.4
115E32.4Very low33Very low176 Ų176145.6 Ų145.682%0.82282%0.816SS**  trans73141.7158.6-120179.795.600124.2
116L31.7Very low32.9Very low136 Ų136147.2 Ų147.271%0.71282%0.824SS**  trans56.1148.8165.7-101.463000119.3
117E28.2Very low32.7Very low171 Ų171146.4 Ų146.480%0.79982%0.82SS**  cis-149.7157.7-8.3-158.7173.6154.500109.7
118L31.3Very low32.5Very low170 Ų170148.5 Ų148.589%0.8982%0.817SS**  trans-94.2123.5-178.9-60.997.3000113.1
119R28.1Very low32.1Very low234 Ų234154.3 Ų154.388%0.88382%0.818SS**  trans-154.582.6156.3-160.8174.5179.8-176.6-0.8115.7
120W27.1Very low31.4Very low261 Ų261154.5 Ų154.599%0.98982%0.818SS**  trans-134.299.6158-76.495.1000110.8
121S30.4Very low30.9Very low124 Ų124152 Ų15287%0.86782%0.815SS**  trans-152.3129.4165.7-76.10000107.7
122G28.1Very low30.6Very low85 Ų85154.8 Ų154.888%0.87682%0.822SS**  trans-82.3166.5-173.600000113.6
123A26.8Very low30.7Very low103 Ų103149.8 Ų149.885%0.85181%0.812SS**  trans-136.4127.9169.700000110.3
124E30.4Very low30.5Very low178 Ų178152.4 Ų152.483%0.83282%0.818SS**  trans-96.7169.9164.8-103.9-75.8109.300107.8
125P43.1Very low30.4Very low94 Ų94149.1 Ų149.161%0.6181%0.81SS**  -111.4178.8-101.341.6-35.4000113.4
126P35.7Very low30.1Very low127 Ų127151.7 Ų151.783%0.82581%0.813SS**  trans-113.7151.8159.136.5-27.1000113.2
127Q31.8Very low30Very low175 Ų175150.9 Ų150.982%0.81881%0.813SS**  trans-103.3157.1171-62.9-1797.500111.5
128T27.6Very low29.9Very low126 Ų126147.7 Ų147.777%0.77381%0.806SS**  trans127.6134.9136.965.80000118.9
129R27Very low29.6Very low219 Ų219147.6 Ų147.683%0.82680%0.8SS**  trans73.193.2146.1-73.5-179.180.4161.25.4123.1
130T29.1Very low29.6Very low128 Ų128140.9 Ų140.979%0.78580%0.795SS**  63.8125.3117.754.20000123
131G29.3Very low29.7Very low73 Ų73132.1 Ų132.175%0.75378%0.779SS**  trans107.5142.815900000114
132V30.8Very low29.5Very low148 Ų148133.8 Ų133.890%0.89778%0.778SS**  cis-142.4177-2.3-175.60000108.8
133I32.2Very low29.6Very low136 Ų136137.1 Ų137.170%0.69778%0.775SS**  trans-89.8146.1-167.3-59.1154.5000113.5V135I133-V135 HydrophobicContact CG2-CG2 4.2Å
134N27.7Very low29.7Very low150 Ų150134.9 Ų134.980%0.80276%0.763SS**  trans169.2130.5141.8-83.3-13.5000107.6
135V30.5Very low29.7Very low117 Ų117134.4 Ų134.471%0.70976%0.76SS**  cis69.512236.6-1740000111.8I133I133-V135 HydrophobicContact CG2-CG2 4.2Å
136W26.2Very low29.1Very low231 Ų231135.7 Ų135.788%0.87576%0.762SS**  cis-171.6160.6-12173.110000106
137V29.8Very low29Very low119 Ų119137.3 Ų137.372%0.72176%0.759SS**  trans142.4164144.5171.70000112.8
138T25.7Very low29.1Very low104 Ų104132 Ų13264%0.63875%0.745SS**  trans-80.1-170.7-169.254.80000113
139E24.5Very low29.3Very low167 Ų167132.2 Ų132.278%0.7875%0.752SS**  cis-164.7-173.513.8-147149132.500111.8
140A27.5Very low29.4Very low94 Ų94125.4 Ų125.478%0.77775%0.749SS**  trans71149.7153.200000119.3
141A29.7Very low29.5Very low77 Ų77123.2 Ų123.264%0.63675%0.752SS**  cis-163.1-167.4-14.700000110.8
142D26.8Very low29.8Very low158 Ų158128.6 Ų128.685%0.84576%0.758SS**  trans80.8139.9163.7-49.4159.1000117.2
143D28.7Very low29.8Very low155 Ų155127.6 Ų127.683%0.82975%0.747SS**  cis-162.9163.1-17.3-178-143.1000110.7
144G29Very low29.8Very low57 Ų57127.3 Ų127.359%0.58875%0.752SS**  trans78.1109.416100000117.7
145Q31.4Very low29.9Very low167 Ų167123.3 Ų123.378%0.7875%0.746SS**  cis74.513435.1-159.7166.8-8.100113.2
146D30.8Very low29.9Very low121 Ų121123.7 Ų123.765%0.64775%0.754SS**  cis-130.9-149.313.3-137.6-22.3000112.7
147E33.8Very low30.1Very low162 Ų162117.3 Ų117.376%0.75774%0.744SS**  cis-155.3163.511.8-137.4-87.789.500112.2
148A33.3Very low30.4Very low64 Ų64116 Ų11653%0.52974%0.74SS.*  trans63121.3154.400000123.9
149S32.3Very low31Very low130 Ų130118.6 Ų118.691%0.90975%0.746SS**  trans78134.2137.7-154.70000119.3
150G28.4Very low31.3Very low75 Ų75119 Ų11977%0.77375%0.745SS**  cis172.1144.3-4.500000111.1
151G31.8Very low31.6Very low82 Ų82122.6 Ų122.685%0.84575%0.745SS**  trans178.6102.9-176.500000115.6
152E35.3Very low32.4Very low187 Ų187124.1 Ų124.187%0.87475%0.749SS**  trans-70.8167.6164.962.7-16088.600112.1
153N30.7Very low32.6Very low126 Ų126123.5 Ų123.567%0.67475%0.745SS**  cis-155.9-173.325.463.778.8000114.5
154T31Very low33.8Very low130 Ų130121.8 Ų121.880%0.79874%0.743SS**  trans-22159.2162.6510000119.7
155G30Very low34Very low66 Ų66123 Ų12368%0.6875%0.747SS**  cis158.8-172.12.400000112.1
156S32Very low33.9Very low125 Ų125120.6 Ų120.687%0.87475%0.749SS**  trans69137.1-177.2-1600000115.7
157S29.8Very low34.5Very low97 Ų97120.4 Ų120.468%0.67876%0.757SS**  cis141.9130.7-17.6-173.10000108.1
158S36.7Very low35.7Very low91 Ų91117.7 Ų117.764%0.63675%0.754SS**  trans67.2147.5158.8-63.30000119.1
159E37.3Very low35.5Very low160 Ų160123.6 Ų123.675%0.74877%0.77SS**  cis-172.7159.2-16.4-119.8167.294.100111.1
160K31.4Very low35.5Very low176 Ų176120.9 Ų120.977%0.76576%0.763SS**  trans79.5108.5143.5-150.2161.9-169.4163.70122.9
161E33.7Very low35.9Very low168 Ų168123 Ų12379%0.78577%0.766SS**  38.3157.8112.8-64.8-78.989.100122.4
162P46Very low36.1Very low110 Ų110128.6 Ų128.671%0.71477%0.767SS**  cis-142-168.3-14.736.6-13.5000116.7
163D30.7Very low36.9Very low144 Ų144124.4 Ų124.477%0.7776%0.756SS**  trans-46.1169167.2-109.4-80000117.8
164P53.6Low36.9Very low119 Ų119125.5 Ų125.577%0.77376%0.762SS**  -157158.155.643.5-20.7000123.2
165A33.1Very low36.9Very low82 Ų82124.6 Ų124.668%0.67876%0.761SS**  trans88.5127132.100000126.3
166S30Very low36.9Very low118 Ų118128 Ų12883%0.82577%0.773SS**  trans97.5109.3136-66.20000124.5
167S44.1Very low36.8Very low116 Ų116132.6 Ų132.681%0.81177%0.773SS**  trans-20.1172.9152.1-50.70000122
168P57.8Low37.2Very low106 Ų106133.9 Ų133.969%0.68878%0.777SS**  cis-124.3-1523.335.9-13.1000112.1
169E29.6Very low37.2Very low187 Ų187135.3 Ų135.387%0.87478%0.783SS**  cis-161.7177.83.9-154.2154.310300112.3
170G32.3Very low36.8Very low74 Ų74135.9 Ų135.976%0.76379%0.786SS**  trans110.9122.3154.300000118.2
171S37.1Very low38Very low120 Ų120132.2 Ų132.284%0.83978%0.78SS**  trans-104.9139.4-170.4-68.10000116.7
172K36.9Very low38.6Very low199 Ų199129.3 Ų129.387%0.86578%0.776SS**  20.9164127.3-73.3-178.4179.6177.20121.5
173P51.5Low37.7Very low99 Ų99133 Ų13364%0.64378%0.784SS**  cis-145.6-160.7-31.941.7-21.6000114.4
174N29.6Very low37.8Very low148 Ų148129.9 Ų129.979%0.79178%0.778SS**  trans76.2136163.1-60.6-9.8000117.3
175S31.9Very low36.7Very low112 Ų112128.7 Ų128.778%0.78378%0.778SS**  cis99.9111.227.2-172.50000113.6
176C30Very low37.2Very low137 Ų137130.1 Ų130.193%0.92678%0.781SS**  trans-148.1135.5165.8-85.10000110.8
177Y29.1Very low37.5Very low222 Ų222133 Ų13387%0.87178%0.781SS**  trans-133.7143.4168.3-175.3-81.4000107.3P179Y177-P179 WeakPolarHBondContact O-CD 3.38Å
178T38.1Very low37.6Very low124 Ų124132.3 Ų132.376%0.76177%0.774SS**  trans-77.6138.7-166.9-40.10000113.8
179P36.7Very low36.1Very low120 Ų120134.4 Ų134.478%0.77978%0.779SS**  trans-134.1-178.2136.634.1-18.8000113.5Y177Y177-P179 WeakPolarHBondContact O-CD 3.38Å
180E28.8Very low36.2Very low172 Ų172131.2 Ų131.280%0.80477%0.768SS**  trans-119.9-157.7-166.6-156.9-148.9128.400112.3
181P56.7Low36.1Very low99 Ų99130.9 Ų130.964%0.64375%0.754SS**  -91.3-173-109.443.8-35.2000115.9
182P46.4Very low35.8Very low108 Ų108135.8 Ų135.870%0.70175%0.754SS**  trans-148.4160.2132.537.4-20.9000118.8
183E28.2Very low35.5Very low187 Ų187136.9 Ų136.987%0.87476%0.755SS**  trans71.5148.8146.5-76.4-177.789.400122.9
184A32.4Very low34.5Very low79 Ų79138.2 Ų138.265%0.65377%0.766SS**  cis-164.6157.4-8.300000116
185A30.5Very low34.6Very low93 Ų93138.4 Ų138.477%0.76977%0.767SS**  trans70.3164.614700000121.6
186P44.3Very low35.1Very low113 Ų113139.1 Ų139.173%0.73477%0.769SS**  cis-137.4157.2-15.222.22.2000119.1
187Q34.8Very low35.1Very low178 Ų178141.8 Ų141.883%0.83276%0.764SS**  trans69.6161.6143.8-64.1-89.8-57.800121.5
188P46.5Very low35.2Very low102 Ų102136 Ų13666%0.66276%0.762SS**  cis-142.6-174.2-40.641.2-23.2000116.7
189D27.2Very low34.6Very low149 Ų149134.2 Ų134.280%0.79777%0.769SS**  trans76.3147.4155.9-132.5-156.8000119.4
190D30.2Very low34.3Very low121 Ų121132.2 Ų132.265%0.64777%0.77SS**  cis-147.8166.46.3-170.312.8000112.9
191S31.2Very low34.4Very low67 Ų67129 Ų12947%0.46977%0.772SS.*  trans2.8160154.2-670000123.8
192R31.6Very low33.3Very low222 Ų222131 Ų13184%0.83878%0.778SS**  cis-170.9168.3-27.5-119174.9-71.7-171.9-2.8109.8
193Y29.9Very low32.8Very low223 Ų223135.7 Ų135.788%0.87579%0.787SS**  trans-76.8155-178.3-65.8-100.7000115.5
194S30.2Very low33.1Very low126 Ų126134.5 Ų134.588%0.88179%0.787SS**  177.3157.2112.9-780000115.8
195L33Very low33.1Very low153 Ų153135.9 Ų135.980%0.80180%0.798SS**  trans-103.1159.5173.6-169.578.7000110.4
196P41.2Very low33Very low127 Ų127141.2 Ų141.283%0.82580%0.804SS**  trans-136.2175.3130.138-27.1000115
197K29.6Very low32.4Very low193 Ų193139.8 Ų139.884%0.83980%0.802SS**  trans-143.6138.5-163158.4-169.1174.4-177.30110.7
198A31.6Very low31.9Very low99 Ų99140.3 Ų140.382%0.81880%0.804SS**  trans173.7147.3143.500000114.6
199G26.8Very low30.9Very low88 Ų88140.3 Ų140.391%0.90781%0.806SS**  trans83.2143.7155.300000118
200G28.9Very low31.7Very low77 Ų77138.5 Ų138.579%0.79480%0.803SS**  cis152.7141.2-14.300000115.4
201A31.9Very low31.7Very low104 Ų104139.5 Ų139.586%0.8680%0.804SS**  trans80.4139.1164.600000120.9
202D32.9Very low31.4Very low143 Ų143148 Ų14877%0.76583%0.825SS**  trans-68.6166.9-173.1-47.8-122.9000116.7
203K35.1Very low31.4Very low206 Ų206145 Ų14590%0.89682%0.821SS**  -175.9133.8116.4-102.1163.7-176176.90115.9
204D35.1Very low32.1Very low162 Ų162139.8 Ų139.887%0.86681%0.814SS**  trans-72.4151.8162.9-70.6-106.5000113.9
205A32.1Very low31.9Very low108 Ų108139.7 Ų139.789%0.89381%0.813SS**  trans-153.1161.6155.700000110.5
206K29.5Very low31.8Very low205 Ų205137.6 Ų137.689%0.89182%0.818SS**  trans-136.2161.3-161.4173.6179.9172.6-176.60112.6
207A30.1Very low31.3Very low83 Ų83137.5 Ų137.569%0.68682%0.821SS**  trans81.4155.8176.300000114.5
208E24.4Very low31.5Very low189 Ų189132 Ų13288%0.88382%0.818SS**  cis-144.9175.47.3-163.6135.968.100111.8
209S26.4Very low31.8Very low101 Ų101134.6 Ų134.671%0.70681%0.813SS**  trans-139.6147.3179.3-166.20000109
210P44Very low32.6Very low112 Ų112135.7 Ų135.773%0.72781%0.805SS**  -156.516490.440.9-21.4000118.9
211Q29.3Very low33.2Very low141 Ų141137.8 Ų137.866%0.65980%0.798SS**  trans54.7118.5148.8-105.667.1-14.300122.7
212R26.7Very low34Very low245 Ų245139.7 Ų139.793%0.92579%0.793SS**  -162.2164.5101.9-92.1-60.5-172.1176.93109.8
213H31.5Very low34.4Very low161 Ų161138.9 Ų138.975%0.74579%0.788SS**  trans-100168.5-163-86.7-86.4000115
214P43.5Very low35.3Very low112 Ų112135.8 Ų135.873%0.72778%0.779SS**  trans-103.7-179.3-151.540.4-38.3000116.2
215S26.1Very low35.8Very low124 Ų124136.3 Ų136.387%0.86778%0.777SS**  trans-150.5147.8156.3-79.80000111
216A31.6Very low36.7Very low110 Ų110133.1 Ų133.191%0.90975%0.754SS**  trans-74.3152.9-165.400000114.9
217S30.9Very low37.7Very low125 Ų125132.4 Ų132.487%0.87476%0.759SS**  trans-129.6136.5163.655.50000109.4
218G33.4Very low38.7Very low76 Ų76134.7 Ų134.778%0.78477%0.77SS**  trans164.835.1-173.600000116.9
219E38.3Very low39.6Very low154 Ų154128.1 Ų128.172%0.7275%0.753SS**  trans-108126.8175.3-79.6-72.1161.200110.7N221E219-N221 PolarHBondContact O-N 3.3Å; E219-N221 VanDerWaalsContact O-N 3.07Å
220P43.5Very low40.5Very low111 Ų111127 Ų12772%0.72175%0.745SS**  trans-80.689.7-174.832-34.7000112.2L222P220-L222 PolarHBondContact O-N 2.94Å; P220-L222 VanDerWaalsContact O-N 3.11Å
221N40.3Very low40.6Very low122 Ų122127.9 Ų127.965%0.65274%0.742SS**  trans-69.9101.6169.5-82.8-72.7000111.1E219 L223E219-N221 PolarHBondContact O-N 3.3Å; E219-N221 VanDerWaalsContact O-N 3.07Å; N221-L223 PolarHBondContact O-N 2.99Å
222L48.7Very low41.1Very low144 Ų144125.5 Ų125.575%0.75474%0.742SS**  trans-79101.8166-66.6-179.3000109.8P220P220-L222 PolarHBondContact O-N 2.94Å; P220-L222 VanDerWaalsContact O-N 3.11Å
223L42.4Very low42Very low126 Ų126119.6 Ų119.666%0.6673%0.728SS**  trans-69127.1169.3-77.1160.2000109.9N221N221-L223 PolarHBondContact O-N 2.99Å
224I53.3Low42.8Very low140 Ų140116 Ų11672%0.71872%0.718SS**  trans-109.6112.3164.8-60.9177.1000106.3
225E45.8Very low42.8Very low174 Ų174117.1 Ų117.181%0.81372%0.718SS**  trans-89.3127.4-177.2-162.7163.7121.100110.5
226G50.6Low43.6Very low41 Ų41115.3 Ų115.342%0.42371%0.705SS.*  trans-129.9156.6178.200000110.9S228 G229G226-S228 PolarHBondContact O-N 2.94Å; G226-G229 PolarHBondContact O-N 3.3Å
227L51.9Low44.4Very low190 Ų190115.8 Ų115.8100%0.99569%0.691SS**THydrogen-bonded Turntrans-67.111.1-169.5-69162.7000116
228S51Low45.1Very low131 Ų131120.1 Ų120.192%0.91669%0.689SS**THydrogen-bonded Turntrans-134.124172.7-57.30000113.3G226G226-S228 PolarHBondContact O-N 2.94Å
229G43Very low45.9Very low50 Ų50121.3 Ų121.352%0.51569%0.691SS.*  trans104.9160.917500000114.7G226G226-G229 PolarHBondContact O-N 3.3Å
230S44.1Very low46.5Very low78 Ų78121.2 Ų121.255%0.54570%0.696SS.*  trans-86.9120.9-175.947.10000112.3
231I46.2Very low47.7Very low130 Ų130122.3 Ų122.367%0.66769%0.686SS**  trans-100.6104.6172.838.1169.1000110.5L233I231-L233 PolarHBondContact O-N 2.86Å
232S40.1Very low49.6Very low92 Ų92120.1 Ų120.164%0.64368%0.678SS**  trans-71.190.5172.742.90000110.8P234S232-P234 VanDerWaalsContact O-CD 3.23Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å
233L46Very low51.2Low121 Ų121115.3 Ų115.363%0.63466%0.655SS**  trans-81.7112.5173.3-65.2179.9000110I231 L235I231-L233 PolarHBondContact O-N 2.86Å; L233-L235 PolarHBondContact O-N 3.38Å
234P48.3Very low53.2Low84 Ų84110.7 Ų110.755%0.54563%0.631SS.*  trans-70.3100.2175.128.4-33.9000109.7S232 S236S232-P234 VanDerWaalsContact O-CD 3.23Å; S232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-S236 PolarHBondContact O-N 3.03Å
235L42.5Very low54.7Low137 Ų137107.7 Ų107.772%0.71761%0.614SS**  trans-70.312.9-173.6-77.2167.1000114.8L233 L237L233-L235 PolarHBondContact O-N 3.38Å; L235-L237 PolarHBondContact O-N 3.5Å
236S44.3Very low56.7Low86 Ų86101.2 Ų101.260%0.60159%0.586SS**  trans-71.332.2171-35.50000113.5P234 R238P234-S236 PolarHBondContact O-N 3.03Å; S236-R238 PolarHBondContact O-N 2.92Å
237L48.2Very low58.4Low119 Ų11999.3 Ų99.362%0.62357%0.566SS**  trans-74.573.4167.6-74.5178.8000109.9L235 A239L235-L237 PolarHBondContact O-N 3.5Å; L237-A239 PolarHBondContact O-N 2.96Å
238R45Very low60.1Low216 Ų21693.6 Ų93.682%0.81553%0.534SS*.  trans-48.4127.7155.9-69.3-78-173.6152.50.5107.3S236 N240 R241S236-R238 PolarHBondContact O-N 2.92Å; R238-N240 PolarHBondContact O-N 3.29Å; R238-R241 PolarHBondContact O-N 3.29Å
239A50.9Low61.7Low101 Ų10194.4 Ų94.484%0.83552%0.521SS*.THydrogen-bonded Turntrans-6924-173.800000115.2L237L237-A239 PolarHBondContact O-N 2.96Å
240N50Low63.9Low153 Ų15396.1 Ų96.182%0.81852%0.517SS*.THydrogen-bonded Turntrans-132.823.7-178.4-65.3-67.2000111.6R238R238-N240 PolarHBondContact O-N 3.29Å
241R68.5Low65.9Low134 Ų13493 Ų9351%0.50649%0.494SS..  trans-74.8122.5170.8-160.3-179.7-154.9129.38.8108R238 E245R238-R241 PolarHBondContact O-N 3.29Å; R241-E245 HydrophobicContact CG-CB 4.24Å
242P80.5Confident67.6Low75 Ų7591.9 Ų91.949%0.48750%0.495SS..  trans-60.7137-175.922.2-32.1000110.6L244 E245P242-L244 PolarHBondContact O-N 3.37Å; P242-E245 HydrophobicContact CG-CB 4.44Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 2.89Å
243P82.5Confident69.7Low44 Ų4492.4 Ų92.429%0.28649%0.494SS..Hα-helixtrans-54.8-31.3-172-29.835.6000114.4E245 V246 L247 L263 L270P243-E245 VanDerWaalsContact C-N 3.3Å; P243-E245 PolarHBondContact O-N 3.47Å; P243-V246 WeakPolarHBondContact O-CA 3.48Å; P243-V246 WeakPolarHBondContact O-CB 3.47Å; P243-V246 PolarHBondContact O-N 3.01Å; P243-L247 PolarHBondContact O-N 3.08Å; P243-L263 HydrophobicContact CB-CD1 3.74Å; P243-L263 HydrophobicContact CB-CD2 3.92Å; P243-L263 HydrophobicContact CB-CG 4.5Å; P243-L270 HydrophobicContact CB-CB 4.24Å; P243-L270 HydrophobicContact CB-CD1 4.24Å
244L83.7Confident71.5Confident29 Ų2989.1 Ų89.115%0.15248%0.475CS..Hα-helixtrans-56.4-39175178.962000113.4P242 V246 L247 K248 L259 E260 L263P242-L244 PolarHBondContact O-N 3.37Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.25Å; L244-L247 PolarHBondContact O-N 3.36Å; L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CB 3.39Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.45Å; L244-K248 PolarHBondContact O-N 3.43Å; L244-L259 HydrophobicContact CD1-CB 3.85Å; L244-E260 HydrophobicContact CD1-CG 3.58Å; L244-E260 HydrophobicContact CD2-CG 3.57Å; L244-E260 HydrophobicContact CG-CG 4.21Å; L244-L263 HydrophobicContact CB-CD2 3.92Å
245E85.3Confident73.4Confident76 Ų7692.8 Ų92.836%0.35548%0.483SS..Hα-helixtrans-72.2-25.7178.4-67.5-59.312400112R241 P242 P243 K248 K249R241-E245 HydrophobicContact CG-CB 4.24Å; P242-E245 HydrophobicContact CG-CB 4.44Å; P242-E245 HydrophobicContact CG-CG 3.86Å; P242-E245 PolarHBondContact O-N 2.89Å; P243-E245 VanDerWaalsContact C-N 3.3Å; P243-E245 PolarHBondContact O-N 3.47Å; E245-K248 WeakPolarHBondContact OE1-CD 3.33Å; E245-K248 WeakPolarHBondContact OE1-CE 3.3Å; E245-K248 IonicContact OE1-NZ 2.81Å; E245-K248 PolarHBondContact OE1-NZ 3.46Å; E245-K249 PolarHBondContact O-N 3.34Å
246V88.6Confident75.4Confident39 Ų3989.2 Ų89.224%0.23647%0.468CS..Hα-helixtrans-74.3-45.7171.7-171.80000109.7P243 L244 K248 K249 I250 L270P243-V246 WeakPolarHBondContact O-CA 3.48Å; P243-V246 WeakPolarHBondContact O-CB 3.47Å; P243-V246 PolarHBondContact O-N 3.01Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.25Å; V246-K248 PolarHBondContact O-N 2.89Å; V246-K249 PolarHBondContact O-N 3.46Å; V246-K249 VanDerWaalsContact O-N 3.12Å; V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 HydrophobicContact CG1-CG1 4.4Å; V246-I250 WeakPolarHBondContact O-CG1 3.39Å; V246-I250 PolarHBondContact O-N 3.36Å; V246-L270 HydrophobicContact CB-CD1 4.08Å; V246-L270 HydrophobicContact CB-CD2 4.13Å; V246-L270 HydrophobicContact CG1-CD1 4.19Å; V246-L270 HydrophobicContact CG1-CD2 3.87Å; V246-L270 HydrophobicContact CG2-CD2 4.45Å
247L86.4Confident77.5Confident0 Ų089.2 Ų89.20%047%0.466CS..Hα-helixtrans-58.9-45174.5-70177000112.6P243 L244 K249 I250 F251 L259 L263 L270 A273 I274 L277P243-L247 PolarHBondContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.36Å; L247-K249 PolarHBondContact O-N 3.29Å; L247-I250 PolarHBondContact O-N 2.87Å; L247-F251 HydrophobicContact CD2-CD2 4.28Å; L247-F251 HydrophobicContact CD2-CE2 4.23Å; L247-F251 PolarHBondContact O-N 3.07Å; L247-L259 HydrophobicContact CB-CB 4.35Å; L247-L259 HydrophobicContact CB-CD1 4.3Å; L247-L259 HydrophobicContact CB-CD2 4.37Å; L247-L263 HydrophobicContact CD1-CB 3.95Å; L247-L263 HydrophobicContact CD1-CD1 4.21Å; L247-L263 HydrophobicContact CD1-CD2 4.39Å; L247-L263 HydrophobicContact CD1-CG 4.41Å; L247-L270 HydrophobicContact CD2-CD1 3.73Å; L247-L270 HydrophobicContact CG-CD1 3.75Å; L247-A273 HydrophobicContact CD1-CB 3.94Å; L247-A273 HydrophobicContact CD2-CB 4.24Å; L247-I274 HydrophobicContact CD2-CG1 3.78Å; L247-L277 HydrophobicContact CD2-CD1 3.89Å
248K87.1Confident79.5Confident71 Ų7186.5 Ų86.531%0.30945%0.454SS..Hα-helixtrans-57.5-36.2174.7-76.3169.1-178.7171.30112.4L244 E245 V246 L259L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CB 3.39Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.45Å; L244-K248 PolarHBondContact O-N 3.43Å; E245-K248 WeakPolarHBondContact OE1-CD 3.33Å; E245-K248 WeakPolarHBondContact OE1-CE 3.3Å; E245-K248 IonicContact OE1-NZ 2.81Å; E245-K248 PolarHBondContact OE1-NZ 3.46Å; V246-K248 PolarHBondContact O-N 2.89Å; K248-L259 HydrophobicContact CB-CD1 4.44Å; K248-L259 HydrophobicContact CG-CD1 3.95Å
249K84.9Confident81.5Confident148 Ų14876.3 Ų76.364%0.64342%0.415SS*.Hα-helixtrans-80.4-31.9-179.9-168.2172-178.5-178.70113.3E245 V246 L247E245-K249 PolarHBondContact O-N 3.34Å; V246-K249 PolarHBondContact O-N 3.46Å; V246-K249 VanDerWaalsContact O-N 3.12Å; L247-K249 PolarHBondContact O-N 3.29Å
250I88.2Confident83.3Confident85 Ų8575.7 Ų75.744%0.43640%0.395SS..Hα-helixtrans-77.3-37.8175.3-64.2170.5000111V246 L247 P252 I274V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 HydrophobicContact CG1-CG1 4.4Å; V246-I250 WeakPolarHBondContact O-CG1 3.39Å; V246-I250 PolarHBondContact O-N 3.36Å; L247-I250 PolarHBondContact O-N 2.87Å; I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.47Å; I250-I274 HydrophobicContact CD1-CD1 3.86Å; I250-I274 HydrophobicContact CD1-CG1 4.42Å
251F86.3Confident85.2Confident14 Ų1473.3 Ų73.36%0.06138%0.382CS..  trans-120.861-174.4-60-74.6000112.7L247 T253 H254 L259 I274 L277 L278L247-F251 HydrophobicContact CD2-CD2 4.28Å; L247-F251 HydrophobicContact CD2-CE2 4.23Å; L247-F251 PolarHBondContact O-N 3.07Å; F251-T253 PolarHBondContact O-N 3.02Å; F251-H254 HydrophobicContact CB-CB 4.2Å; F251-H254 PolarHBondContact O-N 2.81Å; F251-L259 HydrophobicContact CB-CD2 4.22Å; F251-I274 HydrophobicContact CE2-CG1 4.14Å; F251-I274 HydrophobicContact CE2-CG2 4.47Å; F251-I274 HydrophobicContact CZ-CG2 4.3Å; F251-L277 HydrophobicContact CD2-CB 4.36Å; F251-L277 HydrophobicContact CD2-CD1 3.62Å; F251-L277 HydrophobicContact CD2-CG 4.49Å; F251-L277 HydrophobicContact CE1-CB 4.15Å; F251-L277 HydrophobicContact CE2-CB 3.82Å; F251-L277 HydrophobicContact CE2-CD1 3.64Å; F251-L277 HydrophobicContact CE2-CG 4.33Å; F251-L277 HydrophobicContact CG-CD1 4.33Å; F251-L277 HydrophobicContact CZ-CB 3.7Å; F251-L277 HydrophobicContact CZ-CD1 4.4Å; F251-L278 HydrophobicContact CE1-CD2 4.01Å; F251-L278 HydrophobicContact CZ-CD2 4.12Å; F251-L278 HydrophobicContact CZ-CG 4.2Å
252P83Confident86.1Confident106 Ų10668.4 Ų68.469%0.68837%0.366SS*.THydrogen-bonded Turntrans-64.7-11.9-175.928.3-37.1000114.4I250I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.47Å
253T82.9Confident86.7Confident102 Ų10265.9 Ų65.963%0.62635%0.348SS*.THydrogen-bonded Turntrans-86.1-9.2174.745.50000113.8F251 R281F251-T253 PolarHBondContact O-N 3.02Å; T253-R281 PolarHBondContact OG1-NH1 3.25Å
254H84.1Confident87Confident52 Ų5272.8 Ų72.824%0.24137%0.368CS..SBendtrans-98.4136.2-178.8-78.2-100.5000111.5F251 L259 R281F251-H254 HydrophobicContact CB-CB 4.2Å; F251-H254 PolarHBondContact O-N 2.81Å; H254-L259 HydrophobicContact CB-CD1 4.46Å; H254-L259 HydrophobicContact CB-CD2 3.79Å; H254-L259 HydrophobicContact CB-CG 4.16Å; H254-R281 WeakPolarHBondContact NE2-CD 3.46Å; H254-R281 PolarHBondContact NE2-NH1 2.92Å
255K88.7Confident87.1Confident162 Ų16274.7 Ų74.770%0.70440%0.395SS*.  trans-67.4135.6-178.3-67.4178.1179174.80110.5V258 L259K255-V258 HydrophobicContact CB-CG2 4.35Å; K255-V258 WeakPolarHBondContact O-CB 3.18Å; K255-V258 PolarHBondContact O-N 3.47Å; K255-L259 PolarHBondContact O-N 2.89Å
256P85.4Confident87.2Confident62 Ų6272.9 Ų72.940%0.40339%0.39SS..Hα-helixtrans-52.2-40.6-174.95.5-16.4000115.7V258 L259 E260P256-V258 PolarHBondContact O-N 2.99Å; P256-V258 VanDerWaalsContact O-N 3.16Å; P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 2.87Å; P256-L259 VanDerWaalsContact O-N 3.1Å; P256-E260 WeakPolarHBondContact O-CG 3.46Å; P256-E260 PolarHBondContact O-N 3.46Å
257P88.4Confident87Confident86 Ų8674.7 Ų74.756%0.55842%0.417SS*.Hα-helixtrans-59.7-25.7175.8-27.836.4000115.1L261P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.16Å
258V88.6Confident86.9Confident62 Ų6276.5 Ų76.538%0.37644%0.435SS..Hα-helixtrans-75.7-42.3176.1-177.50000110.2K255 P256 E260 L261 I262K255-V258 HydrophobicContact CB-CG2 4.35Å; K255-V258 WeakPolarHBondContact O-CB 3.18Å; K255-V258 PolarHBondContact O-N 3.47Å; P256-V258 PolarHBondContact O-N 2.99Å; P256-V258 VanDerWaalsContact O-N 3.16Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-L261 PolarHBondContact O-N 3.12Å; V258-I262 HydrophobicContact CG1-CD1 3.95Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.34Å
259L87.7Confident87Confident1 Ų176.8 Ų76.81%0.00544%0.44CS..Hα-helixtrans-63.7-40.8174.7-56.7177.9000111.1L244 L247 K248 F251 H254 K255 P256 L263 L277L244-L259 HydrophobicContact CD1-CB 3.85Å; L247-L259 HydrophobicContact CB-CB 4.35Å; L247-L259 HydrophobicContact CB-CD1 4.3Å; L247-L259 HydrophobicContact CB-CD2 4.37Å; K248-L259 HydrophobicContact CB-CD1 4.44Å; K248-L259 HydrophobicContact CG-CD1 3.95Å; F251-L259 HydrophobicContact CB-CD2 4.22Å; H254-L259 HydrophobicContact CB-CD1 4.46Å; H254-L259 HydrophobicContact CB-CD2 3.79Å; H254-L259 HydrophobicContact CB-CG 4.16Å; K255-L259 PolarHBondContact O-N 2.89Å; P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 2.87Å; P256-L259 VanDerWaalsContact O-N 3.1Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 PolarHBondContact O-N 3.02Å; L259-L277 HydrophobicContact CD2-CD1 3.49Å; L259-L277 VanDerWaalsContact CD2-CD1 3.49Å; L259-L277 HydrophobicContact CD2-CD2 3.87Å; L259-L277 HydrophobicContact CD2-CG 4.35Å
260E88.3Confident87.2Confident88 Ų8872 Ų7241%0.41142%0.421SS..Hα-helixtrans-63.8-43.7173.1-73.3171.1-156.100112.5L244 P256 V258 R264L244-E260 HydrophobicContact CD1-CG 3.58Å; L244-E260 HydrophobicContact CD2-CG 3.57Å; L244-E260 HydrophobicContact CG-CG 4.21Å; P256-E260 WeakPolarHBondContact O-CG 3.46Å; P256-E260 PolarHBondContact O-N 3.46Å; V258-E260 VanDerWaalsContact C-N 3.34Å; E260-R264 WeakPolarHBondContact O-CB 3.45Å; E260-R264 PolarHBondContact O-N 2.94Å
261L89.6Confident87.3Confident103 Ų10372 Ų7254%0.53943%0.425SS..Hα-helixtrans-64.3-44179.4-176.464.9000111.8P257 V258 R264 G265P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.35Å; P257-L261 PolarHBondContact O-N 3.16Å; V258-L261 PolarHBondContact O-N 3.12Å; L261-R264 PolarHBondContact O-N 3.48Å; L261-G265 PolarHBondContact O-N 3.37Å
262I88.8Confident87.4Confident31 Ų3172 Ų7216%0.15943%0.429CS..Hα-helixtrans-67.2-48.8178-68.6167.7000110.2V258 R264 G265 C266 A273 V276 L277V258-I262 HydrophobicContact CG1-CD1 3.95Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.34Å; I262-R264 VanDerWaalsContact C-N 3.28Å; I262-R264 PolarHBondContact O-N 2.89Å; I262-G265 CarbonylContact O-C 3.58Å; I262-G265 WeakPolarHBondContact O-CA 3.42Å; I262-G265 PolarHBondContact O-N 3.05Å; I262-C266 PolarHBondContact O-N 3.33Å; I262-C266 PolarHBondContact O-SG 2.93Å; I262-C266 VanDerWaalsContact O-SG 3.38Å; I262-A273 HydrophobicContact CG2-CB 4.02Å; I262-V276 HydrophobicContact CD1-CG1 4.3Å; I262-V276 HydrophobicContact CG1-CG1 4.29Å; I262-V276 HydrophobicContact CG2-CB 3.99Å; I262-V276 HydrophobicContact CG2-CG1 3.81Å; I262-L277 HydrophobicContact CD1-CD2 3.55Å; I262-L277 HydrophobicContact CD1-CG 3.81Å; I262-L277 HydrophobicContact CG2-CG 4.46Å
263L91.7Very high87.8Confident22 Ų2267 Ų6712%0.11540%0.397CS..Hα-helixtrans-59-38.7177.1-177.865.2000112.4P243 L244 L247 L259 C266 G267 G268 D269 A273P243-L263 HydrophobicContact CB-CD1 3.74Å; P243-L263 HydrophobicContact CB-CD2 3.92Å; P243-L263 HydrophobicContact CB-CG 4.5Å; L244-L263 HydrophobicContact CB-CD2 3.92Å; L247-L263 HydrophobicContact CD1-CB 3.95Å; L247-L263 HydrophobicContact CD1-CD1 4.21Å; L247-L263 HydrophobicContact CD1-CD2 4.39Å; L247-L263 HydrophobicContact CD1-CG 4.41Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 PolarHBondContact O-N 3.02Å; L263-C266 CarbonylContact O-C 3.49Å; L263-C266 PolarHBondContact O-N 3.11Å; L263-G267 PolarHBondContact O-N 3.07Å; L263-G268 PolarHBondContact O-N 2.95Å; L263-D269 WeakPolarHBondContact CD1-O 3.26Å; L263-A273 HydrophobicContact CD1-CB 4.29Å
264R89.1Confident88.2Confident190 Ų19064.1 Ų64.172%0.71738%0.377SS*.Hα-helixtrans-69.3-33.9175.1-166.5176.876.5-143.35.5112.2E260 L261 I262 G267E260-R264 WeakPolarHBondContact O-CB 3.45Å; E260-R264 PolarHBondContact O-N 2.94Å; L261-R264 PolarHBondContact O-N 3.48Å; I262-R264 VanDerWaalsContact C-N 3.28Å; I262-R264 PolarHBondContact O-N 2.89Å; R264-G267 PolarHBondContact O-N 3.12Å
265G86.8Confident88.4Confident69 Ų6967.3 Ų67.371%0.71139%0.392SS*.Hα-helixtrans-66-39170.800000112.8L261 I262 G267L261-G265 PolarHBondContact O-N 3.37Å; I262-G265 CarbonylContact O-C 3.58Å; I262-G265 WeakPolarHBondContact O-CA 3.42Å; I262-G265 PolarHBondContact O-N 3.05Å; G265-G267 PolarHBondContact O-N 3.26Å
266C87.1Confident88.3Confident38 Ų3862.9 Ų62.926%0.25738%0.378SS..THydrogen-bonded Turntrans-80.412174.9-60.70000113.8I262 L263 G268 D269 A273I262-C266 PolarHBondContact O-N 3.33Å; I262-C266 PolarHBondContact O-SG 2.93Å; I262-C266 VanDerWaalsContact O-SG 3.38Å; L263-C266 CarbonylContact O-C 3.49Å; L263-C266 PolarHBondContact O-N 3.11Å; C266-G268 PolarHBondContact O-N 2.87Å; C266-G268 VanDerWaalsContact O-N 3.12Å; C266-D269 WeakPolarHBondContact O-CB 3.49Å; C266-D269 PolarHBondContact O-N 2.89Å; C266-A273 HydrophobicContact CB-CB 4.31Å
267G83.9Confident88.5Confident77 Ų7759.9 Ų59.979%0.79436%0.359SS*.THydrogen-bonded Turntrans63.717.2176.800000115.3L263 R264 G265L263-G267 PolarHBondContact O-N 3.07Å; R264-G267 PolarHBondContact O-N 3.12Å; G265-G267 PolarHBondContact O-N 3.26Å
268G83.9Confident88.4Confident37 Ų3760.8 Ų60.838%0.38136%0.359SS..THydrogen-bonded Turntrans94-2.6-173.200000115.2L263 C266 L270L263-G268 PolarHBondContact O-N 2.95Å; C266-G268 PolarHBondContact O-N 2.87Å; C266-G268 VanDerWaalsContact O-N 3.12Å; G268-L270 PolarHBondContact O-N 3.21Å
269D89.9Confident88.2Confident78 Ų7862.5 Ų62.542%0.41737%0.373SS..  trans-68.2130.4171.9177.832.6000111.4L263 C266 V271 G272 A273L263-D269 WeakPolarHBondContact CD1-O 3.26Å; C266-D269 WeakPolarHBondContact O-CB 3.49Å; C266-D269 PolarHBondContact O-N 2.89Å; D269-V271 PolarHBondContact OD1-N 2.86Å; D269-G272 PolarHBondContact OD2-N 3.41Å; D269-A273 VanDerWaalsContact O-CB 3.26Å; D269-A273 WeakPolarHBondContact O-CB 3.45Å
270L89.3Confident87.4Confident47 Ų4766 Ų6625%0.24640%0.398CS..Hα-helixtrans-76.9-35.1176.7-179.860.2000111.9P243 V246 L247 G268 I274P243-L270 HydrophobicContact CB-CB 4.24Å; P243-L270 HydrophobicContact CB-CD1 4.24Å; V246-L270 HydrophobicContact CB-CD1 4.08Å; V246-L270 HydrophobicContact CB-CD2 4.13Å; V246-L270 HydrophobicContact CG1-CD1 4.19Å; V246-L270 HydrophobicContact CG1-CD2 3.87Å; V246-L270 HydrophobicContact CG2-CD2 4.45Å; L247-L270 HydrophobicContact CD2-CD1 3.73Å; L247-L270 HydrophobicContact CG-CD1 3.75Å; G268-L270 PolarHBondContact O-N 3.21Å; L270-I274 HydrophobicContact CD1-CD1 4Å; L270-I274 HydrophobicContact CD1-CG1 4.34Å; L270-I274 HydrophobicContact CG-CD1 3.9Å; L270-I274 WeakPolarHBondContact O-CD1 3.27Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.09Å
271V90.8Very high86.5Confident85 Ų8568 Ų6852%0.51540%0.402SS..Hα-helixtrans-72.7-54.2-172.7-176.90000110.2D269 A273 I274 E275D269-V271 PolarHBondContact OD1-N 2.86Å; V271-A273 PolarHBondContact O-N 3.37Å; V271-I274 WeakPolarHBondContact O-CB 3.48Å; V271-I274 PolarHBondContact O-N 3.03Å; V271-E275 PolarHBondContact O-N 3Å
272G87.1Confident84.5Confident15 Ų1570 Ų7016%0.15541%0.413CS..Hα-helixtrans-58.3-33.9173.900000113D269 E275 V276D269-G272 PolarHBondContact OD2-N 3.41Å; G272-E275 PolarHBondContact O-N 3.22Å; G272-V276 WeakPolarHBondContact O-CB 3.43Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.3Å; G272-V276 PolarHBondContact O-N 3.06Å
273A91.9Very high83Confident0 Ų074.2 Ų74.20%044%0.442CS..Hα-helixtrans-66.7-38.2174.500000112.7L247 I262 L263 C266 D269 V271 L277L247-A273 HydrophobicContact CD1-CB 3.94Å; L247-A273 HydrophobicContact CD2-CB 4.24Å; I262-A273 HydrophobicContact CG2-CB 4.02Å; L263-A273 HydrophobicContact CD1-CB 4.29Å; C266-A273 HydrophobicContact CB-CB 4.31Å; D269-A273 VanDerWaalsContact O-CB 3.26Å; D269-A273 WeakPolarHBondContact O-CB 3.45Å; V271-A273 PolarHBondContact O-N 3.37Å; A273-L277 WeakPolarHBondContact O-CB 3.41Å; A273-L277 WeakPolarHBondContact O-CD1 3.49Å; A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.45Å; A273-L277 VanDerWaalsContact O-N 3.09Å
274I90.4Very high80.8Confident41 Ų4181 Ų8121%0.2148%0.478CS..Hα-helixtrans-66.4-45172.6-69.6163.4000110.4L247 I250 F251 L270 V271 V276 L277 L278L247-I274 HydrophobicContact CD2-CG1 3.78Å; I250-I274 HydrophobicContact CD1-CD1 3.86Å; I250-I274 HydrophobicContact CD1-CG1 4.42Å; F251-I274 HydrophobicContact CE2-CG1 4.14Å; F251-I274 HydrophobicContact CE2-CG2 4.47Å; F251-I274 HydrophobicContact CZ-CG2 4.3Å; L270-I274 HydrophobicContact CD1-CD1 4Å; L270-I274 HydrophobicContact CD1-CG1 4.34Å; L270-I274 HydrophobicContact CG-CD1 3.9Å; L270-I274 WeakPolarHBondContact O-CD1 3.27Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.49Å; L270-I274 PolarHBondContact O-N 3.09Å; V271-I274 WeakPolarHBondContact O-CB 3.48Å; V271-I274 PolarHBondContact O-N 3.03Å; I274-V276 PolarHBondContact O-N 2.99Å; I274-L277 PolarHBondContact O-N 3.17Å; I274-L278 HydrophobicContact CG2-CD1 3.81Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.32Å
275E89.6Confident78.4Confident119 Ų11975.8 Ų75.856%0.55648%0.484SS*.Hα-helixtrans-60.5-43.3178.9-70.9177.6178.400112.2V271 G272 L278 S279V271-E275 PolarHBondContact O-N 3Å; G272-E275 PolarHBondContact O-N 3.22Å; E275-L278 PolarHBondContact O-N 2.66Å; E275-S279 VanDerWaalsContact O-CB 3.26Å; E275-S279 WeakPolarHBondContact O-CB 3.48Å; E275-S279 PolarHBondContact O-N 3.34Å; E275-S279 PolarHBondContact O-OG 2.9Å
276V86.7Confident76.3Confident69 Ų6978.3 Ų78.342%0.41849%0.491SS..Hα-helixtrans-64.4-42.7174.6170.40000111.4I262 G272 I274 S279 S280I262-V276 HydrophobicContact CD1-CG1 4.3Å; I262-V276 HydrophobicContact CG1-CG1 4.29Å; I262-V276 HydrophobicContact CG2-CB 3.99Å; I262-V276 HydrophobicContact CG2-CG1 3.81Å; G272-V276 WeakPolarHBondContact O-CB 3.43Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.3Å; G272-V276 PolarHBondContact O-N 3.06Å; I274-V276 PolarHBondContact O-N 2.99Å; V276-S279 PolarHBondContact O-N 2.75Å; V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.74Å
277L88.3Confident73.9Confident0 Ų081.3 Ų81.30%052%0.519CS..Hα-helixtrans-64.2-41.8177.8-82161.4000112.7L247 F251 L259 I262 A273 I274 S280L247-L277 HydrophobicContact CD2-CD1 3.89Å; F251-L277 HydrophobicContact CD2-CB 4.36Å; F251-L277 HydrophobicContact CD2-CD1 3.62Å; F251-L277 HydrophobicContact CD2-CG 4.49Å; F251-L277 HydrophobicContact CE1-CB 4.15Å; F251-L277 HydrophobicContact CE2-CB 3.82Å; F251-L277 HydrophobicContact CE2-CD1 3.64Å; F251-L277 HydrophobicContact CE2-CG 4.33Å; F251-L277 HydrophobicContact CG-CD1 4.33Å; F251-L277 HydrophobicContact CZ-CB 3.7Å; F251-L277 HydrophobicContact CZ-CD1 4.4Å; L259-L277 HydrophobicContact CD2-CD1 3.49Å; L259-L277 VanDerWaalsContact CD2-CD1 3.49Å; L259-L277 HydrophobicContact CD2-CD2 3.87Å; L259-L277 HydrophobicContact CD2-CG 4.35Å; I262-L277 HydrophobicContact CD1-CD2 3.55Å; I262-L277 HydrophobicContact CD1-CG 3.81Å; I262-L277 HydrophobicContact CG2-CG 4.46Å; A273-L277 WeakPolarHBondContact O-CB 3.41Å; A273-L277 WeakPolarHBondContact O-CD1 3.49Å; A273-L277 WeakPolarHBondContact O-CG 3.27Å; A273-L277 PolarHBondContact O-N 3.45Å; A273-L277 VanDerWaalsContact O-N 3.09Å; I274-L277 PolarHBondContact O-N 3.17Å; L277-S280 PolarHBondContact O-N 3.02Å; L277-S280 PolarHBondContact O-OG 3.28Å
278L87.1Confident72.2Confident105 Ų10585.8 Ų85.855%0.5552%0.518SS..Hα-helixtrans-67-43.4174.5-66.9173.2000111.4F251 I274 E275 S280 R281F251-L278 HydrophobicContact CE1-CD2 4.01Å; F251-L278 HydrophobicContact CZ-CD2 4.12Å; F251-L278 HydrophobicContact CZ-CG 4.2Å; I274-L278 HydrophobicContact CG2-CD1 3.81Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 WeakPolarHBondContact O-CG 3.47Å; I274-L278 PolarHBondContact O-N 3.32Å; E275-L278 PolarHBondContact O-N 2.66Å; L278-S280 PolarHBondContact O-N 3.25Å; L278-R281 PolarHBondContact O-N 3.2Å
279S83.7Confident70.4Confident98 Ų9888.6 Ų88.669%0.68553%0.53SS*.Hα-helixtrans-62.2-27.8177.3-58.50000113.1E275 V276 R281E275-S279 VanDerWaalsContact O-CB 3.26Å; E275-S279 WeakPolarHBondContact O-CB 3.48Å; E275-S279 PolarHBondContact O-N 3.34Å; E275-S279 PolarHBondContact O-OG 2.9Å; V276-S279 PolarHBondContact O-N 2.75Å; S279-R281 VanDerWaalsContact C-N 3.31Å
280S72.1Confident67.8Low73 Ų7393 Ų9351%0.5155%0.548SS..THydrogen-bonded Turntrans-79.7-7.1174.571.20000114.6V276 L277 L278V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.74Å; L277-S280 PolarHBondContact O-N 3.02Å; L277-S280 PolarHBondContact O-OG 3.28Å; L278-S280 PolarHBondContact O-N 3.25Å
281R69.8Low65.1Low132 Ų13294.5 Ų94.550%0.49857%0.566SS.*  trans-117.364.6-170.1-166.1171.9178.5139.91.6112.7T253 H254 L278 S279T253-R281 PolarHBondContact OG1-NH1 3.25Å; H254-R281 WeakPolarHBondContact NE2-CD 3.46Å; H254-R281 PolarHBondContact NE2-NH1 2.92Å; L278-R281 PolarHBondContact O-N 3.2Å; S279-R281 VanDerWaalsContact C-N 3.31Å
282N47.4Very low62.4Low145 Ų14598.7 Ų98.778%0.77558%0.58SS**  trans-66.7131.6159-83.6-36.6000109.8D284N282-D284 PolarHBondContact O-N 3.21Å
283P56.6Low60.4Low119 Ų119103.1 Ų103.177%0.77361%0.606SS**  trans-9273.4-17236.7-36.4000113
284D45.8Very low57.7Low163 Ų163111.7 Ų111.787%0.87265%0.646SS**  trans-124.6120.3170.6-89.9-56.4000111.2N282N282-D284 PolarHBondContact O-N 3.21Å
285G38Very low55.7Low82 Ų82115.4 Ų115.485%0.84567%0.673SS**  trans157.573.9-175.900000113.5
286S44Very low53.1Low122 Ų122115.8 Ų115.885%0.85368%0.683SS**  trans-77.5146.2-172.3-178.40000115
287A36Very low50.7Low101 Ų101118.2 Ų118.284%0.83570%0.703SS**  trans-157.5116.5148.900000111.5
288H47.7Very low48Very low170 Ų170126.3 Ų126.379%0.78775%0.747SS**  trans-107.5158.5165.6-123.1-73.1000109.1
289P47.3Very low45.4Very low97 Ų97124.8 Ų124.863%0.6376%0.756SS**  -146.3172.5122.230.1-10.7000115.4
290H34.1Very low43.1Very low171 Ų171128.1 Ų128.179%0.79277%0.765SS**  trans70.7142.9172.2-54.7-79.7000118.4
291A32.4Very low41.2Very low77 Ų77130.7 Ų130.764%0.63678%0.778SS**  cis-169.9140.3-21.600000111.5
292E33.8Very low39.3Very low173 Ų173131.6 Ų131.681%0.80879%0.792SS**  trans60.7163.7161.2-55.5-51.696.200120.2
293P45.8Very low39.3Very low108 Ų108129.6 Ų129.670%0.70179%0.786SS**  -133.4178.9-60.539.4-23.7000114.2
294H35.8Very low38Very low181 Ų181130.9 Ų130.984%0.83878%0.782SS**  trans-78.9175.4178.4-55.8-90.2000114.1
295P48.2Very low37.4Very low118 Ų118130.5 Ų130.577%0.76678%0.78SS**  -145.5139.386.338.9-22.2000117.9
296V35.5Very low37Very low128 Ų128130.3 Ų130.378%0.77678%0.779SS**  trans31.5139.9148.4-48.40000124.4
297S35.3Very low36.7Very low120 Ų120133.3 Ų133.384%0.83978%0.779SS**  trans-165.3152133.5-77.50000111.1
298D32.6Very low36.8Very low170 Ų170135.2 Ų135.291%0.90977%0.774SS**  trans-78.3169.5-167-59.8-99.5000117.3
299G31.8Very low36.1Very low73 Ų73135.3 Ų135.375%0.75377%0.773SS**  trans164.566.7160.700000122
300L34.3Very low35.3Very low167 Ų167137.7 Ų137.787%0.87478%0.775SS**  trans44.997.4143.9-55.2177.8000122.8
301V32.2Very low35.3Very low127 Ų127137.9 Ų137.977%0.7778%0.776SS**  33.1106.2118.4-173.50000121.2
302L31.6Very low35.3Very low152 Ų152138.6 Ų138.680%0.79678%0.782SS**  trans50.4173.8130.5-91.794.2000122.2
303P45.8Very low35.4Very low102 Ų102139 Ų13966%0.66279%0.789SS**  cis-135.1-176.5-3.244-27.3000117.2
304Q30.8Very low34.6Very low146 Ų146137.3 Ų137.368%0.68279%0.791SS**  trans48.9129.3144.1-111.177.1-10.600126.1
305N31.5Very low34.5Very low155 Ų155134.4 Ų134.483%0.82979%0.792SS**  trans46133.9132.1-67.6-1000123.9
306G30.4Very low33.7Very low79 Ų79140 Ų14081%0.81480%0.799SS**  trans152.4108.1143.500000117
307H37.9Very low33.8Very low184 Ų184142.3 Ų142.385%0.85280%0.801SS**  trans-72.4150.3171.2-69.6-111000112.9
308L37.4Very low34.5Very low141 Ų141142.6 Ų142.674%0.73880%0.8SS**  160.4139.3114.5-85162.1000114.2
309F33.2Very low34.6Very low173 Ų173141.4 Ų141.476%0.75980%0.798SS**  trans60.3149.8156.1-72.9-57000120.2
310E30.2Very low34.7Very low147 Ų147143.4 Ų143.469%0.68780%0.801SS**  cis-151.7131.4-14.5-164.5168.7113.400112
311H35.1Very low34.6Very low174 Ų174141 Ų14181%0.80680%0.798SS**  trans37121.7153.4-67.7-142.6000122.6
312A32.6Very low34.7Very low92 Ų92140.3 Ų140.376%0.7680%0.799SS**  -172.3147.110700000114
313L35.2Very low34.9Very low181 Ų181136.9 Ų136.995%0.94879%0.792SS**  trans67.3129.7167.4-48-178.4000119.3
314G30Very low35Very low74 Ų74141.4 Ų141.476%0.76380%0.802SS**  trans139.4104.9156.700000117.8
315S32.2Very low35.4Very low120 Ų120145.4 Ų145.484%0.83981%0.811SS**  trans29.6125153.3-56.90000122.4
316Y31.8Very low35.8Very low235 Ų235143.4 Ų143.492%0.92281%0.809SS**  trans-88140.9166.7-75-101.9000112.9
317H37.9Very low36.2Very low176 Ų176147 Ų14782%0.81582%0.815SS**  trans-130.2134.8158.2-92.9-95.6000109.6
318P50.5Low36.2Very low126 Ų126141.7 Ų141.782%0.81881%0.809SS**PPolyproline II helixtrans-84.2144.5177.333.5-33.6000112
319V34.9Very low36.2Very low145 Ų145139.4 Ų139.488%0.87981%0.805SS**PPolyproline II helixtrans-100.5146174.51790000110.6
320S32.3Very low36.9Very low115 Ų115134.8 Ų134.880%0.80480%0.799SS**PPolyproline II helixtrans-55.9145.4-165.7-50.10000117.4
321S32.7Very low37.8Very low116 Ų116137.5 Ų137.581%0.81181%0.809SS**PPolyproline II helixtrans-60.9135.7165.8-550000112.8A323S321-A323 PolarHBondContact O-N 2.99Å
322S34.8Very low38.6Very low113 Ų113139.8 Ų139.879%0.7981%0.811SS**  trans-81.591.5166.8-169.90000110.6K324S322-K324 PolarHBondContact O-N 2.76Å
323A36.8Very low39.3Very low80 Ų80140.8 Ų140.866%0.66181%0.807SS**  trans-92.987.5177.700000111.6S321 W325S321-A323 PolarHBondContact O-N 2.99Å; A323-W325 PolarHBondContact O-N 3.3Å
324K46.7Very low40Very low197 Ų197136.8 Ų136.886%0.85779%0.792SS**  trans-71.8111.9166.1-68.6172.9-178.6170.80109.3S322S322-K324 PolarHBondContact O-N 2.76Å
325W39.8Very low40.9Very low231 Ų231139.5 Ų139.588%0.87579%0.785SS**  trans-124.8122.8160.960.5-80.3000110A323A323-W325 PolarHBondContact O-N 3.3Å
326S38.8Very low41.8Very low112 Ų112138.8 Ų138.878%0.78378%0.78SS**  trans-84.7156.5-176.1-610000111.7G328S326-G328 PolarHBondContact O-N 3.02Å
327V39.6Very low42.7Very low155 Ų155133.8 Ų133.894%0.93977%0.768SS**SBendtrans-63.6131172.7172.50000111
328G37.9Very low43.2Very low72 Ų72134.4 Ų134.474%0.74276%0.763SS**  trans116.189.3151.800000117.7S326S326-G328 PolarHBondContact O-N 3.02Å
329S37.4Very low42.8Very low93 Ų93138 Ų13865%0.6577%0.766SS**  trans-166.1119.6136.9-165.90000110.1
330A48.4Very low42.8Very low77 Ų77135 Ų13564%0.63677%0.765SS**SBendtrans-74.9153.9159.500000109.3
331F48.3Very low42.9Very low203 Ų203135.1 Ų135.189%0.8977%0.766SS**  trans60.280.1177.3-56.8-82000116
332R52.6Low43Very low222 Ų222136.7 Ų136.784%0.83877%0.765SS**  trans-127.8139.2150.5-70.8-63.8-178.3177.7-1.4110.4
333V47.1Very low42.8Very low113 Ų113137 Ų13769%0.68577%0.767SS**  trans-75.9144.5175.5179.40000108.7L337V333-L337 HydrophobicContact CG1-CD1 4.48Å
334P49.9Very low43.2Very low97 Ų97137.6 Ų137.663%0.6377%0.772SS**  trans-55.3147.7174.1-27.236.1000113.5S336P334-S336 PolarHBondContact O-N 3.04Å
335E47.8Very low42.7Very low132 Ų132134.4 Ų134.462%0.61778%0.775SS**G310 helixtrans-67.34.1-173.1-157.260.3-119.200114.4L337 R338E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 3.49Å; E335-R338 VanDerWaalsContact CD-NH1 3.26Å; E335-R338 WeakPolarHBondContact OE1-CD 3.4Å; E335-R338 WeakPolarHBondContact OE1-CG 3.34Å; E335-R338 IonicContact OE1-CZ 3.63Å; E335-R338 IonicContact OE1-NE 3.18Å; E335-R338 IonicContact OE1-NH1 2.68Å; E335-R338 PolarHBondContact OE1-NH1 2.93Å; E335-R338 IonicContact OE2-NH1 3.07Å; E335-R338 PolarHBondContact OE2-NH1 3.43Å
336S52.7Low42.5Very low104 Ų104127 Ų12773%0.72777%0.77SS**G310 helixtrans-81.80.2-179.752.20000115.1P334P334-S336 PolarHBondContact O-N 3.04Å
337L49.6Very low42.3Very low131 Ų131126.2 Ų126.269%0.68677%0.77SS**G310 helixtrans-122.917.3179.8-69.1177.1000114.4V333 E335 F339V333-L337 HydrophobicContact CG1-CD1 4.48Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 3.49Å; L337-F339 PolarHBondContact O-N 3.08Å
338R47.9Very low42.5Very low188 Ų188127.4 Ų127.471%0.70977%0.77SS**  trans-81113.4163.2-88.4-157.2172.199.2-6.8110.4E335 G340E335-R338 VanDerWaalsContact CD-NH1 3.26Å; E335-R338 WeakPolarHBondContact OE1-CD 3.4Å; E335-R338 WeakPolarHBondContact OE1-CG 3.34Å; E335-R338 IonicContact OE1-CZ 3.63Å; E335-R338 IonicContact OE1-NE 3.18Å; E335-R338 IonicContact OE1-NH1 2.68Å; E335-R338 PolarHBondContact OE1-NH1 2.93Å; E335-R338 IonicContact OE2-NH1 3.07Å; E335-R338 PolarHBondContact OE2-NH1 3.43Å; R338-G340 PolarHBondContact O-N 3.49Å
339F42.9Very low42.2Very low201 Ų201127.7 Ų127.788%0.88277%0.774SS**PPolyproline II helixtrans-68125.8156.7-73.7-91.4000108.7L337 S341L337-F339 PolarHBondContact O-N 3.08Å; F339-S341 PolarHBondContact O-N 3.48Å
340G34.3Very low42.6Very low82 Ų82129.8 Ų129.885%0.84578%0.782SS**PPolyproline II helixtrans-69.9120.3170.300000110.1R338R338-G340 PolarHBondContact O-N 3.49Å
341S35.5Very low42.4Very low118 Ų118131.6 Ų131.683%0.82579%0.788SS**PPolyproline II helixtrans-100.2127161.5-174.60000107.5F339F339-S341 PolarHBondContact O-N 3.48Å
342D33.5Very low41.8Very low150 Ų150129.7 Ų129.780%0.80279%0.786SS**PPolyproline II helixtrans-57.6148.6177.6-97.8-82000112.6
343S32.2Very low41Very low119 Ų119128 Ų12883%0.83279%0.787SS**  trans-140.7105.2160.3-76.20000107.4
344A43.6Very low40.4Very low93 Ų93131.1 Ų131.177%0.76979%0.794SS**  trans-71.7137.5-169.100000112.5
345S36Very low40Very low129 Ų129131.9 Ų131.990%0.90280%0.799SS**  trans-179.6135.3135.6-830000112.3
346G36.6Very low39.3Very low76 Ų76131.3 Ų131.378%0.78481%0.81SS**  trans114106147.900000119
347A34.3Very low38.5Very low95 Ų95135.3 Ų135.379%0.78581%0.814SS**  trans64.592.3139.800000121.7
348L43.9Very low38Very low180 Ų180134.7 Ų134.794%0.94282%0.818SS**  52.6105.1127.6-56.7177.9000120.3
349G32.5Very low37.6Very low79 Ų79133.2 Ų133.281%0.81482%0.819SS**  trans-164.2115.9158.800000111.7
350V44.4Very low37.4Very low137 Ų137128.5 Ų128.583%0.8381%0.809SS**  trans-122.8126.5-174.8169.90000108.5
351P44.7Very low37.8Very low115 Ų115129.2 Ų129.275%0.74781%0.807SS**  -147.1151.5104.536.2-19000117.3
352L35.3Very low38.1Very low162 Ų162133.8 Ų133.885%0.84881%0.806SS**  trans44113.9153-86.461.1000120
353Q35.8Very low38.6Very low187 Ų187136.6 Ų136.687%0.87481%0.807SS**  trans-99.5141.6161.7-65.7177.5-2.100111.4
354H34.9Very low39.1Very low178 Ų178136.8 Ų136.882%0.82481%0.805SS**  trans-112.4136.9146.3-87-84.4000107.8S356H354-S356 PolarHBondContact O-N 3.04Å
355P41.4Very low39Very low114 Ų114139.9 Ų139.974%0.7481%0.808SS**PPolyproline II helixtrans-80.2118.8-169.730-34.5000112.9
356S32.8Very low39.6Very low119 Ų119142.2 Ų142.283%0.83281%0.807SS**PPolyproline II helixtrans-85.1117.9168.6-66.90000110.5H354H354-S356 PolarHBondContact O-N 3.04Å
357F35.2Very low39.8Very low188 Ų188146.6 Ų146.683%0.82581%0.811SS**PPolyproline II helixtrans-65.3138.3176-100.7-101000112.1
358P40.3Very low40.4Very low118 Ų118153 Ų15377%0.76682%0.815SS**PPolyproline II helixtrans-72.2137.8175.329.9-34.2000111.6
359Q38.3Very low40Very low157 Ų157149.9 Ų149.973%0.73481%0.808SS**PPolyproline II helixtrans-88.5134.1172.5-72.3-72.5-38.700110.4
360P40.5Very low40.2Very low103 Ų103151.3 Ų151.367%0.66981%0.806SS**PPolyproline II helixtrans-73.1150.6175.830.5-34.6000112
361A40.8Very low40Very low96 Ų96153 Ų15379%0.79381%0.809SS**PPolyproline II helixtrans-58.4136.9-177.900000112.6
362R41.8Very low39.9Very low215 Ų215153.8 Ų153.881%0.81181%0.812SS**PPolyproline II helixtrans-90.2118.6176.9-68.2-69.5176.6100.8-0.9110.4
363Y45Very low40.2Very low208 Ų208156.9 Ų156.982%0.81681%0.813SS**PPolyproline II helixtrans-58.3152.1166.9-75.6-94.6000111.5L365Y363-L365 PolarHBondContact O-N 2.82Å
364P41.8Very low40.1Very low123 Ų123153.1 Ų153.180%0.79981%0.807SS**PPolyproline II helixtrans-65126.3177.527.2-34.4000111M366P364-M366 PolarHBondContact O-N 3.2Å
365L42.4Very low40.6Very low159 Ų159152.9 Ų152.983%0.83281%0.806SS**PPolyproline II helixtrans-77.7118.2173.9-65.7172.5000109.4Y363 L367Y363-L365 PolarHBondContact O-N 2.82Å; L365-L367 PolarHBondContact O-N 2.93Å
366M48.5Very low40.6Very low178 Ų178152.5 Ų152.588%0.87781%0.806SS**PPolyproline II helixtrans-63.8127.7165.9-61.9-154.7-54.400109.3P364 R368P364-M366 PolarHBondContact O-N 3.2Å; M366-R368 PolarHBondContact O-N 3.28Å; M366-R368 VanDerWaalsContact O-N 3.07Å
367L41.8Very low41.2Very low168 Ų168149.7 Ų149.788%0.8880%0.796SS**  trans-70106.6179.1-8080.8000110L365 S369L365-L367 PolarHBondContact O-N 2.93Å; L367-S369 PolarHBondContact O-N 3.09Å
368R46.6Very low42Very low230 Ų230147.1 Ų147.187%0.86880%0.798SS**  trans-75.9104.3169.4-170176.8-176.4179.81.5109.3M366 S370M366-R368 PolarHBondContact O-N 3.28Å; M366-R368 VanDerWaalsContact O-N 3.07Å; R368-S370 PolarHBondContact O-N 3.31Å; R368-S370 PolarHBondContact O-OG 3.05Å; R368-S370 VanDerWaalsContact O-OG 3.06Å
369S34.2Very low42Very low114 Ų114149.7 Ų149.780%0.79780%0.798SS**  trans-48.4106.6-177.7-57.80000112.5L367 L371L367-S369 PolarHBondContact O-N 3.09Å; S369-L371 PolarHBondContact O-N 3.28Å
370S38.2Very low42.9Very low108 Ų108146.5 Ų146.576%0.75579%0.789SS**  trans-99.579.6-177.6-63.30000109.7R368 T372R368-S370 PolarHBondContact O-N 3.31Å; R368-S370 PolarHBondContact O-OG 3.05Å; R368-S370 VanDerWaalsContact O-OG 3.06Å; S370-T372 PolarHBondContact O-N 2.93Å
371L40.1Very low43.3Very low173 Ų173149.1 Ų149.191%0.90679%0.792SS**  trans-63.8113.4176.6-76.1169.3000110.4S369 R373S369-L371 PolarHBondContact O-N 3.28Å; L371-R373 PolarHBondContact O-N 3.47Å
372T42.1Very low44.1Very low132 Ų132149.6 Ų149.681%0.8178%0.781SS**  trans-76.2112.6179.250.70000110.6S370 S374S370-T372 PolarHBondContact O-N 2.93Å; T372-S374 PolarHBondContact O-N 3.09Å
373R40.8Very low44.9Very low227 Ų227142.5 Ų142.586%0.85776%0.759SS**  trans-59.2101.4179.9-172.1-176.7-170.4-163.14112.5L371L371-R373 PolarHBondContact O-N 3.47Å
374S35.1Very low46.2Very low108 Ų108136.9 Ų136.976%0.75575%0.746SS**  trans-84120.6166.545.90000110.6T372 S376T372-S374 PolarHBondContact O-N 3.09Å; S374-S376 PolarHBondContact O-N 3.39Å
375Q45Very low47.6Very low173 Ų173134.3 Ų134.381%0.80873%0.728SS**  trans-83.2109.9172.2-86.4-169.424.100111.2
376S41.9Very low49Very low105 Ų105131.5 Ų131.573%0.73471%0.714SS**  trans-173.211315351.90000109.4S374S374-S376 PolarHBondContact O-N 3.39Å
377G45.2Very low49.9Very low61 Ų61132.2 Ų132.263%0.62971%0.707SS**SBendtrans110.5146.2177.300000114.6F379G377-F379 PolarHBondContact O-N 3.17Å
378P51Low51.3Low134 Ų134129.2 Ų129.287%0.8769%0.691SS**  trans-81.698.2178.332.6-32.6000110.8
379F40.9Very low52.7Low171 Ų171122.3 Ų122.375%0.7568%0.675SS**  trans-77.9130169.1-88.8-89.2000110.7G377G377-F379 PolarHBondContact O-N 3.17Å
380V57.5Low54.6Low91 Ų91120.7 Ų120.755%0.55266%0.66SS**  trans-75.5148.1175.8-67.20000110.6N382 D383V380-N382 HydrophobicContact CG2-CB 4.33Å; V380-N382 PolarHBondContact O-N 2.98Å; V380-N382 VanDerWaalsContact O-N 3.1Å; V380-D383 VanDerWaalsContact CG2-OD2 3.3Å; V380-D383 WeakPolarHBondContact CG2-OD2 3.35Å; V380-D383 PolarHBondContact O-N 3.31Å
381H49.4Very low56.3Low158 Ų158118 Ų11873%0.73164%0.644SS**Hα-helixtrans-59.8-26.4-176.9-158.1100.6000112.8D383 V384 T385H381-D383 PolarHBondContact O-N 3.37Å; H381-V384 PolarHBondContact O-N 3.42Å; H381-T385 PolarHBondContact O-N 3.34Å; H381-T385 PolarHBondContact O-OG1 3.08Å
382N55.8Low57.8Low105 Ų105114.9 Ų114.956%0.56163%0.628SS**Hα-helixtrans-61.4-41.7-176-157.1-50.6000112.9V380 V384 T385 L386V380-N382 HydrophobicContact CG2-CB 4.33Å; V380-N382 PolarHBondContact O-N 2.98Å; V380-N382 VanDerWaalsContact O-N 3.1Å; N382-V384 VanDerWaalsContact C-N 3.28Å; N382-V384 PolarHBondContact O-N 2.9Å; N382-T385 WeakPolarHBondContact CA-OG1 3.3Å; N382-T385 PolarHBondContact O-N 2.77Å; N382-T385 VanDerWaalsContact O-N 3.14Å; N382-T385 PolarHBondContact O-OG1 2.95Å; N382-L386 PolarHBondContact O-N 3.29Å
383D59.8Low59.4Low67 Ų67114 Ų11436%0.35862%0.615SS.*Hα-helixtrans-61-38.3-179.2-64-50.6000111.9V380 H381 L386 W387V380-D383 VanDerWaalsContact CG2-OD2 3.3Å; V380-D383 WeakPolarHBondContact CG2-OD2 3.35Å; V380-D383 PolarHBondContact O-N 3.31Å; H381-D383 PolarHBondContact O-N 3.37Å; D383-L386 PolarHBondContact O-N 2.68Å; D383-W387 WeakPolarHBondContact O-CB 3.36Å; D383-W387 PolarHBondContact O-N 3.18Å
384V72.9Confident60.8Low89 Ų89109 Ų10954%0.53960%0.601SS.*Hα-helixtrans-68.8-39.9178.5177.40000110.6H381 N382 N388H381-V384 PolarHBondContact O-N 3.42Å; N382-V384 VanDerWaalsContact C-N 3.28Å; N382-V384 PolarHBondContact O-N 2.9Å; V384-N388 WeakPolarHBondContact O-CB 3.19Å; V384-N388 PolarHBondContact O-N 2.92Å; V384-N388 VanDerWaalsContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 3.41Å
385T70.4Confident62.5Low69 Ų69109.1 Ų109.142%0.42359%0.59SS.*Hα-helixtrans-66.1-40.8173.339.30000112H381 N382 N388 T389H381-T385 PolarHBondContact O-N 3.34Å; H381-T385 PolarHBondContact O-OG1 3.08Å; N382-T385 WeakPolarHBondContact CA-OG1 3.3Å; N382-T385 PolarHBondContact O-N 2.77Å; N382-T385 VanDerWaalsContact O-N 3.14Å; N382-T385 PolarHBondContact O-OG1 2.95Å; T385-N388 PolarHBondContact O-N 3.5Å; T385-T389 PolarHBondContact O-N 2.98Å; T385-T389 PolarHBondContact O-OG1 3.18Å
386L71.3Confident63.8Low100 Ų100109.3 Ų109.352%0.52458%0.584SS.*Hα-helixtrans-65.6-42.6178.8-149.383000112.1N382 D383 N388 T389 V390N382-L386 PolarHBondContact O-N 3.29Å; D383-L386 PolarHBondContact O-N 2.68Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.08Å; L386-T389 PolarHBondContact O-N 2.93Å; L386-T389 PolarHBondContact O-OG1 2.94Å; L386-V390 WeakPolarHBondContact O-CB 3.23Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.41Å
387W68.3Low65.3Low193 Ų193109.9 Ų109.973%0.73158%0.576SS**Hα-helixtrans-65.8-35.7174.5-90.399.9000112.7D383 A391D383-W387 WeakPolarHBondContact O-CB 3.36Å; D383-W387 PolarHBondContact O-N 3.18Å; W387-A391 WeakPolarHBondContact O-CB 3.44Å; W387-A391 PolarHBondContact O-N 2.98Å
388N71.2Confident66.3Low105 Ų105112.8 Ų112.856%0.56158%0.576SS**Hα-helixtrans-68.7-40.9175.3-83.9-76.8000112.1V384 T385 L386 L392V384-N388 WeakPolarHBondContact O-CB 3.19Å; V384-N388 PolarHBondContact O-N 2.92Å; V384-N388 VanDerWaalsContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 3.41Å; T385-N388 PolarHBondContact O-N 3.5Å; L386-N388 VanDerWaalsContact C-N 3.35Å; L386-N388 PolarHBondContact O-N 3.08Å; N388-L392 VanDerWaalsContact O-CB 3.23Å; N388-L392 WeakPolarHBondContact O-CB 3.45Å; N388-L392 PolarHBondContact O-N 3Å
389T74.9Confident66.7Low86 Ų86114.3 Ų114.353%0.52856%0.564SS.*Hα-helixtrans-67.9-42.7176.554.60000111.8T385 L386 L392 Q393T385-T389 PolarHBondContact O-N 2.98Å; T385-T389 PolarHBondContact O-OG1 3.18Å; L386-T389 PolarHBondContact O-N 2.93Å; L386-T389 PolarHBondContact O-OG1 2.94Å; T389-L392 PolarHBondContact O-N 3.33Å; T389-Q393 VanDerWaalsContact O-CB 3.24Å; T389-Q393 WeakPolarHBondContact O-CB 3.3Å; T389-Q393 PolarHBondContact O-N 3.41Å
390V73.7Confident67.7Low79 Ų79109.2 Ų109.248%0.47955%0.55SS.*Hα-helixtrans-62.5-44.2175.2171.10000111.7L386 Q393 Q394L386-V390 WeakPolarHBondContact O-CB 3.23Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.41Å; V390-Q393 PolarHBondContact O-N 2.85Å; V390-Q394 WeakPolarHBondContact O-CB 3.44Å; V390-Q394 PolarHBondContact O-N 3.49Å
391A74.1Confident67.5Low51 Ų51108.1 Ų108.142%0.42155%0.55SS.*Hα-helixtrans-65.5-39.4176.700000112.5W387 Q395W387-A391 WeakPolarHBondContact O-CB 3.44Å; W387-A391 PolarHBondContact O-N 2.98Å; A391-Q395 WeakPolarHBondContact O-CB 3.38Å; A391-Q395 PolarHBondContact O-N 3.39Å
392L73.1Confident67.6Low109 Ų109104.3 Ų104.357%0.57155%0.546SS*.Hα-helixtrans-66.3-42.8176.1-169.670.5000111.3N388 T389 Q395 Y396N388-L392 VanDerWaalsContact O-CB 3.23Å; N388-L392 WeakPolarHBondContact O-CB 3.45Å; N388-L392 PolarHBondContact O-N 3Å; T389-L392 PolarHBondContact O-N 3.33Å; L392-Q395 PolarHBondContact O-N 2.87Å; L392-Y396 PolarHBondContact O-N 3.14Å
393Q75.6Confident67.3Low112 Ų112106.7 Ų106.752%0.52355%0.554SS.*Hα-helixtrans-60.9-46.1175.9-175.963.939.800111.7T389 V390 Y396 Q397T389-Q393 VanDerWaalsContact O-CB 3.24Å; T389-Q393 WeakPolarHBondContact O-CB 3.3Å; T389-Q393 PolarHBondContact O-N 3.41Å; V390-Q393 PolarHBondContact O-N 2.85Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Q393-Q397 PolarHBondContact O-N 3.37Å
394Q70.6Confident66.6Low122 Ų122114 Ų11457%0.5758%0.578SS**Hα-helixtrans-64.2-40.7176.4-173.717576.400111.5V390 Y396 Q397 L398V390-Q394 WeakPolarHBondContact O-CB 3.44Å; V390-Q394 PolarHBondContact O-N 3.49Å; Q394-Y396 VanDerWaalsContact C-N 3.29Å; Q394-Y396 PolarHBondContact O-N 3.28Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q394-L398 HydrophobicContact CG-CD1 4.33Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 3.3Å
395Q69.7Low65.4Low112 Ų112115.7 Ų115.752%0.52359%0.588SS.*Hα-helixtrans-64.3-33.3173.8-169-178.3-10800112.2A391 L392 R399A391-Q395 WeakPolarHBondContact O-CB 3.38Å; A391-Q395 PolarHBondContact O-N 3.39Å; L392-Q395 PolarHBondContact O-N 2.87Å; Q395-R399 VanDerWaalsContact O-CB 3.3Å; Q395-R399 WeakPolarHBondContact O-CB 3.24Å; Q395-R399 PolarHBondContact O-N 3.34Å; Q395-R399 VanDerWaalsContact O-N 3.09Å
396Y73.2Confident63.9Low176 Ų176117.9 Ų117.969%0.6961%0.607SS**Hα-helixtrans-69.4-43.7175.8-144.1-85.5000111.7L392 Q393 Q394 R399 S400L392-Y396 PolarHBondContact O-N 3.14Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.97Å; Q394-Y396 VanDerWaalsContact C-N 3.29Å; Q394-Y396 PolarHBondContact O-N 3.28Å; Y396-R399 PolarHBondContact O-N 3.46Å; Y396-S400 PolarHBondContact O-N 2.74Å; Y396-S400 PolarHBondContact O-OG 3.43Å
397Q71.9Confident62.9Low118 Ų118117.7 Ų117.755%0.55161%0.611SS**Hα-helixtrans-62.7-42.6174.9-73.1176.8-19.600112.6Q393 Q394 R399 S400 A401Q393-Q397 PolarHBondContact O-N 3.37Å; Q394-Q397 PolarHBondContact O-N 2.9Å; Q397-R399 VanDerWaalsContact C-N 3.25Å; Q397-R399 PolarHBondContact O-N 3.41Å; Q397-S400 PolarHBondContact O-N 3.1Å; Q397-S400 PolarHBondContact O-OG 2.85Å; Q397-S400 VanDerWaalsContact O-OG 3.08Å; Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.01Å
398L66.8Low61.3Low121 Ų121118.7 Ų118.763%0.63462%0.621SS**Hα-helixtrans-64.9-30.8174.6-70.8170.1000112.1Q394 A402Q394-L398 HydrophobicContact CG-CD1 4.33Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 3.3Å; L398-A402 PolarHBondContact O-N 3.11Å
399R60Low59.6Low166 Ų166117.1 Ų117.163%0.62663%0.63SS**Hα-helixtrans-80.6-31.4178.9-174.8152.7-72.9169.8-0.2113.6Q395 Y396 Q397Q395-R399 VanDerWaalsContact O-CB 3.3Å; Q395-R399 WeakPolarHBondContact O-CB 3.24Å; Q395-R399 PolarHBondContact O-N 3.34Å; Q395-R399 VanDerWaalsContact O-N 3.09Å; Y396-R399 PolarHBondContact O-N 3.46Å; Q397-R399 VanDerWaalsContact C-N 3.25Å; Q397-R399 PolarHBondContact O-N 3.41Å
400S60.7Low58.3Low65 Ų65119.8 Ų119.846%0.45565%0.648SS.*Hα-helixtrans-73.5-38.817158.90000112Y396 Q397 A402 Q403Y396-S400 PolarHBondContact O-N 2.74Å; Y396-S400 PolarHBondContact O-OG 3.43Å; Q397-S400 PolarHBondContact O-N 3.1Å; Q397-S400 PolarHBondContact O-OG 2.85Å; Q397-S400 VanDerWaalsContact O-OG 3.08Å; S400-A402 PolarHBondContact O-N 3.11Å; S400-Q403 PolarHBondContact O-N 3.27Å; S400-Q403 VanDerWaalsContact O-N 3.09Å
401A53.6Low56.4Low67 Ų67120.4 Ų120.455%0.55466%0.662SS**Hα-helixtrans-58.9-34.2173.400000112.8Q397 Q403Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.01Å; A401-Q403 PolarHBondContact O-N 3.01Å
402A52.9Low54.5Low78 Ų78122.6 Ų122.665%0.64568%0.68SS**THydrogen-bonded Turntrans-71.8-7.2177.700000114.9L398 S400L398-A402 PolarHBondContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.11Å
403Q47.7Very low53.3Low155 Ų155123.6 Ų123.672%0.72469%0.693SS**THydrogen-bonded Turntrans-92.91.1-177-72.8-179.2-33.300114.6S400 A401S400-Q403 PolarHBondContact O-N 3.27Å; S400-Q403 VanDerWaalsContact O-N 3.09Å; A401-Q403 PolarHBondContact O-N 3.01Å
404Y45.9Very low51.4Low221 Ų221123.4 Ų123.487%0.86771%0.711SS**SBendtrans-123.719.2-175.1-123.5-85.3000115.8
405V47.7Very low49.5Very low125 Ų125121.4 Ų121.476%0.75872%0.723SS**  trans-127.3102.4172.5-176.50000109.8
406S38.7Very low47.7Very low115 Ų115121.5 Ų121.580%0.80474%0.743SS**  trans-98.7124.1-179.2-156.10000111.1
407P51.6Low45.7Very low96 Ų96116.5 Ų116.562%0.62375%0.745SS**  trans-84.2158.2170.234.1-33000111.9
408F34.6Very low43.8Very low213 Ų213116 Ų11693%0.93476%0.761SS**  trans64.5134.7-168.1-45.2-81.9000112.6
409G34.7Very low42.3Very low72 Ų72115.8 Ų115.874%0.74277%0.769SS**  cis173.7-173.72.200000106.9
410P47.8Very low41.5Very low142 Ų142113.5 Ų113.592%0.92277%0.774SS**  cis-116-143.83.542.4-27.5000112.2
411A34.2Very low40.2Very low93 Ų93119.3 Ų119.377%0.76979%0.791SS**  trans-139.1165.6-161.600000116.8
412A34.5Very low39.3Very low96 Ų96127.1 Ų127.179%0.79381%0.807SS**  trans73.9159.7163.900000117.6
413P46.8Very low38.3Very low130 Ų130127.1 Ų127.184%0.84481%0.814SS**  cis-121.1-165.74.442.9-29000115.1
414A36.1Very low37.7Very low108 Ų108125.6 Ų125.689%0.89382%0.82SS**  trans-75.1155.7-167.500000116.4
415G30.1Very low37.8Very low81 Ų81121.2 Ų121.284%0.83582%0.819SS**  trans-158151.816700000109.9
416A32Very low37.3Very low113 Ų113122.5 Ų122.593%0.93482%0.82SS**  trans-118.7155.4-170.900000113
417G31.3Very low37.3Very low72 Ų72123.8 Ų123.874%0.74282%0.816SS**  trans105.6105.1152.200000118.1
418A33.2Very low37.1Very low106 Ų106124.9 Ų124.988%0.87682%0.823SS**  trans64.8161132.200000122.9
419S34.7Very low36.9Very low117 Ų117119.7 Ų119.782%0.81881%0.813SS**  trans78.8111.9163-142.70000120.4
420V42.2Very low36.6Very low119 Ų119127.6 Ų127.672%0.72182%0.821SS**  trans-63.3144.6149.3176.20000109.3
421F34Very low35.8Very low187 Ų187124.9 Ų124.982%0.8281%0.811SS**  -178169.5124.2-113.1-89000114.1
422R35.7Very low35.5Very low231 Ų231124.8 Ų124.887%0.87281%0.81SS**  trans-60.3160.4-173.6-59168.2170.3-165.9-3.8115.3
423G30.4Very low35.4Very low77 Ų77129.4 Ų129.479%0.79482%0.815SS**  trans172.193.6149.400000116.9
424S36.6Very low34.7Very low124 Ų124130.9 Ų130.987%0.86781%0.81SS**  trans-110.2140.6162.8-51.20000110.5
425P48Very low35Very low128 Ų128131.2 Ų131.283%0.83180%0.804SS**  trans-121.9172.4156.736-24000112.9
426I36Very low35.1Very low152 Ų152137.1 Ų137.178%0.77980%0.801SS**  trans-132.4128.3-165.5-71.1172.5000110.7
427I38.3Very low35Very low143 Ų143138.6 Ų138.673%0.73379%0.791SS**  trans30.8128.1138.2-62.6174.4000118
428P47.8Very low34.8Very low118 Ų118140.4 Ų140.477%0.76679%0.793SS**  -155.2132.892.138.1-16.9000121.6
429S29.8Very low34.6Very low104 Ų104142 Ų14273%0.72779%0.785SS**  39.7122.3122.5-490000125.3
430R30.3Very low34.2Very low238 Ų238143.6 Ų143.690%0.89878%0.78SS**  -177139.3111.4-94.3-175.9101.5106.6-0.6108.7
431A29Very low33.8Very low86 Ų86145.2 Ų145.271%0.71178%0.779SS**  69.2133.666.400000112.9
432A29.8Very low33.9Very low91 Ų91142.9 Ų142.975%0.75277%0.771SS**  cis-157.3-162.111.500000112.8
433E30.5Very low33.6Very low193 Ų193136.3 Ų136.390%0.90276%0.761SS**  trans90.6129.4162.4-54.5-111.791.800119.2
434E33.3Very low33.6Very low160 Ų160137 Ų13775%0.74875%0.752SS**  trans-135.3136.5165.6-176.3-138.9115.100107.2R436E434-R436 PolarHBondContact OE1-N 3.09Å
435P42.6Very low33.5Very low116 Ų116136.3 Ų136.375%0.75374%0.743SS**  trans-143.8118.3139.731.7-14000115.5
436R31.6Very low33.1Very low205 Ų205138.2 Ų138.277%0.77475%0.745SS**  52.4122.2125.7-77.2-177.3164.6167-2.7123.3E434E434-R436 PolarHBondContact OE1-N 3.09Å
437I30.9Very low33Very low143 Ų143134.3 Ų134.373%0.73374%0.742SS**  89.2102126.3-63170000120.7
438S26.1Very low33.5Very low110 Ų110132.8 Ų132.877%0.76974%0.741SS**  73.9169.9125-149.90000123.5
439I28.5Very low33.2Very low139 Ų139136.9 Ų136.971%0.71375%0.747SS**  trans81.2105.9176.3-58.4176.8000112.5
440Q27.3Very low33.4Very low151 Ų151136.5 Ų136.571%0.70675%0.751SS**  61.6142.293-84.6174.4-87.400113.4
441E33.2Very low33.4Very low154 Ų154128.5 Ų128.572%0.7274%0.742SS**  cis-160.4-168.4-5.146.5-160.2167.800108.2
442E35.6Very low33.6Very low138 Ų138132.5 Ų132.565%0.64575%0.75SS**  cis-162.1-178.321.5-149.2-78.4107.800109.7
443S29.4Very low33.5Very low93 Ų93137.9 Ų137.965%0.6575%0.753SS**  trans82.8132.5153.9-97.10000118.4
444C30.8Very low34Very low91 Ų91133.8 Ų133.862%0.61575%0.746SS**  cis169.2157.2-9.8-106.50000103
445T35Very low34.6Very low109 Ų109129.4 Ų129.467%0.66973%0.731SS**  cis-161.4148.35.56.70000108.6
446L39.6Very low34.3Very low169 Ų169132.2 Ų132.289%0.88573%0.734SS**  trans51.9134.6146-52.8167.5000119.1
447G33.6Very low34.3Very low69 Ų69131.2 Ų131.271%0.71174%0.738SS**  cis120.917529.100000109.4
448P48.6Very low34.4Very low111 Ų111132.3 Ų132.372%0.72175%0.745SS**  cis-142.1162.7-12.742.2-24.9000116.6
449K41.1Very low34.6Very low204 Ų204136 Ų13689%0.88774%0.744SS**  trans64.2159.8145.8-71.8175.3178.6-178.20120.7
450A34.5Very low35Very low97 Ų97135.7 Ų135.780%0.80274%0.74SS**  cis-171.7161.6-26.300000111.7
451G30.1Very low35.4Very low70 Ų70135 Ų13572%0.72274%0.736SS**  trans112.5142.9155.600000116.2
452L32.8Very low35.4Very low169 Ų169136.9 Ų136.989%0.88574%0.737SS**  cis-176162.2-34.5-116.5170.7000107.7
453Y28.5Very low35.7Very low204 Ų204134.7 Ų134.780%0.874%0.736SS**  trans83.5133.9157.8-143.7-113.4000120.5P455Y453-P455 HydrophobicContact CE1-CG 4.36Å
454S40.7Very low35.9Very low108 Ų108136.8 Ų136.876%0.75574%0.741SS**  trans-157.9135.2161.1170.70000105.1
455P46.5Very low36.2Very low68 Ų68138.3 Ų138.344%0.44275%0.752SS.*  -148.1150.8117.738.4-24.2000115.3Y453Y453-P455 HydrophobicContact CE1-CG 4.36Å
456E37Very low36.6Very low175 Ų175137.8 Ų137.882%0.81876%0.759SS**  trans57.7-174.9139.3-56.5-66.384.800121
457E31.1Very low36.7Very low184 Ų184135.2 Ų135.286%0.8675%0.746SS**  trans59.189.8164.759.5-17186.600121
458D32.1Very low37.2Very low165 Ų165136.9 Ų136.988%0.88275%0.746SS**  trans-148.4119.5141.6-150.2-45.8000109
459Y31.5Very low37.2Very low188 Ų188141.7 Ų141.774%0.73775%0.75SS**  trans-155.9129.3-169.8-178.5-80.7000111.4
460E35.9Very low37.4Very low133 Ų133139 Ų13962%0.62174%0.744SS**  trans56.8133.8-175.3-11378.5113.100114.9
461E36.1Very low38.3Very low135 Ų135142.2 Ų142.263%0.63175%0.747SS**  171.5131.579.2171.286.3127.700110.4
462R33.1Very low38.9Very low195 Ų195146.2 Ų146.274%0.73675%0.752SS**  trans48.1125.5153-71.4171.7158.698-3.1125.3
463S40.9Very low39.4Very low91 Ų91143 Ų14364%0.63675%0.75SS**  89.1127.8118.4-770000123.8
464D33.6Very low40.1Very low138 Ų138139 Ų13974%0.73875%0.752SS**  35.1116.9124-50.3-76.7000119.6
465S37.4Very low40.5Very low123 Ų123144.3 Ų144.386%0.8678%0.78SS**  -170.9151.196.4-77.80000112
466A44.9Very low40.2Very low97 Ų97148.1 Ų148.180%0.80280%0.797SS**  trans-92.6147.8158.400000109.6
467D40.5Very low40.3Very low115 Ų115146.7 Ų146.762%0.61580%0.795SS**  trans-133.2146.2153.4-171.7-145.5000109.6R469D467-R469 IonicContact OD1-CZ 3.82Å; D467-R469 IonicContact OD1-NE 3.02Å; D467-R469 PolarHBondContact OD1-NE 3.43Å; D467-R469 IonicContact OD1-NH2 3.38Å; D467-R469 PolarHBondContact OD1-NH2 3.39Å
468S43.6Very low40.9Very low104 Ų104144.6 Ų144.673%0.72779%0.792SS**  trans-117.5113.5-173.6-67.90000110.7
469R49.8Very low41.4Very low213 Ų213143.4 Ų143.480%0.80479%0.786SS**  trans-121.289.1175-62.9-166.1-172.6-141.3-6.4112.6D467D467-R469 IonicContact OD1-CZ 3.82Å; D467-R469 IonicContact OD1-NE 3.02Å; D467-R469 PolarHBondContact OD1-NE 3.43Å; D467-R469 IonicContact OD1-NH2 3.38Å; D467-R469 PolarHBondContact OD1-NH2 3.39Å
470I44.6Very low42Very low147 Ų147140.6 Ų140.675%0.75479%0.79SS**  trans-64.1133.2155.1-56.6169.2000107.4
471L52.8Low42.4Very low164 Ų164141.1 Ų141.186%0.85980%0.801SS**  trans-130.4124160.1-76.6178.1000109.7
472N42.9Very low42.8Very low154 Ų154141.6 Ų141.682%0.82481%0.813SS**  trans-73.5147168.8-71.6-32.4000109.9
473A43.6Very low43.6Very low102 Ų102137.5 Ų137.584%0.84382%0.819SS**  trans-144.893.2164.500000109.6
474S43.5Very low43.8Very low121 Ų121141.3 Ų141.385%0.84683%0.834SS**  trans-144.796.9171.5-70.90000109.3
475T48.6Very low44.7Very low218 Ų218141.6 Ų141.6100%1.33784%0.843SS**  trans-146.80166.453.40000107.7

Retrieved 475 of 475 residues in 630.3 ms (Link to these results)