A0A087Y2M9_POEFO Loading...

Leucine rich adaptor protein 1

AlphaFold DB , UniProt , Accession A0A087Y2M9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M38.1Very low49.4Very low242 Ų242143.5 Ų143.5100%1.19274%0.739SS**  075.10-61.4-170.9-65.600107.7
2A43.9Very low51.2Low98 Ų98141.1 Ų141.181%0.8173%0.728SS**  trans-152.525.3-173.400000112.5
3E44.2Very low52.9Low183 Ų183133.4 Ų133.486%0.85569%0.686SS**  trans-121.77.4-177.6-64.9-177-176.800112.2
4E51.5Low54.7Low162 Ų162130.3 Ų130.376%0.75767%0.671SS**SBendtrans-91.5-12.6-167.2-152.8162-157.200113.6
5I49.8Very low56.3Low141 Ų141130.7 Ų130.772%0.72367%0.669SS**SBendtrans-91.4-17-173.7-49.7177.1000112.3
6L48.7Very low57.3Low153 Ų153128.3 Ų128.380%0.80166%0.657SS**SBendtrans-82.7-21.9-176.4-162.267000113.3
7N48Very low59Low130 Ų130122.1 Ų122.170%0.69563%0.625SS**G310 helixtrans-79.6-23.2-178.9-97.6-5.5000113.9F9 Y10N7-F9 PolarHBondContact O-N 3.42Å; N7-F9 VanDerWaalsContact O-N 3.14Å; N7-Y10 PolarHBondContact O-N 3.39Å; N7-Y10 VanDerWaalsContact O-N 3.14Å
8D47.2Very low60.4Low143 Ų143120.6 Ų120.677%0.76563%0.627SS**G310 helixtrans-68.4-13.4-176-77.6-15.7000114
9F52.1Low61.5Low157 Ų157122.5 Ų122.569%0.68963%0.63SS**G310 helixtrans-92-7.4175.6-77.2-82.6000114.4N7 P11N7-F9 PolarHBondContact O-N 3.42Å; N7-F9 VanDerWaalsContact O-N 3.14Å; F9-P11 WeakPolarHBondContact O-CD 3.44Å
10Y56.3Low62.2Low103 Ų103119.5 Ų119.540%0.40462%0.617SS.*SBendtrans-120.984.7-177.4-141-94.6000110.8N7 D12 K33N7-Y10 PolarHBondContact O-N 3.39Å; N7-Y10 VanDerWaalsContact O-N 3.14Å; Y10-D12 PolarHBondContact O-N 3.34Å; Y10-D12 VanDerWaalsContact O-N 3.15Å; Y10-K33 HydrophobicContact CE2-CB 4.05Å; Y10-K33 HydrophobicContact CE2-CG 4.42Å
11P63.5Low63.2Low67 Ų67117 Ų11744%0.43562%0.621SS.*  trans-61.4120.9177.325.2-32.9000109.7F9 F13 M32F9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-F13 HydrophobicContact CG-CE2 4.07Å; P11-F13 HydrophobicContact CG-CZ 4.02Å; P11-F13 WeakPolarHBondContact O-CD2 3.36Å; P11-F13 WeakPolarHBondContact O-CE2 3.23Å; P11-F13 PolarHBondContact O-N 2.97Å; P11-M32 HydrophobicContact CG-CE 3.62Å
12D71.7Confident64.9Low114 Ų114110.5 Ų110.561%0.6158%0.583SS**  trans-70.1106.6178.4-176.18.2000110.4Y10 N14Y10-D12 PolarHBondContact O-N 3.34Å; Y10-D12 VanDerWaalsContact O-N 3.15Å; D12-N14 VanDerWaalsContact CG-ND2 3.31Å; D12-N14 PolarHBondContact O-N 3.36Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.21Å; D12-N14 PolarHBondContact OD1-ND2 3.21Å; D12-N14 PolarHBondContact OD2-ND2 3.17Å
13F72.9Confident66.9Low41 Ų41113.4 Ų113.418%0.1858%0.578CS.*THydrogen-bonded Turntrans-70.3-8.7178.9-67.7-79.8000113.6P11 E15 L16 E17 T24 L29 M32P11-F13 HydrophobicContact CG-CE2 4.07Å; P11-F13 HydrophobicContact CG-CZ 4.02Å; P11-F13 WeakPolarHBondContact O-CD2 3.36Å; P11-F13 WeakPolarHBondContact O-CE2 3.23Å; P11-F13 PolarHBondContact O-N 2.97Å; F13-E15 PolarHBondContact O-N 3.27Å; F13-E15 VanDerWaalsContact O-N 3.15Å; F13-L16 HydrophobicContact CD1-CD2 4.12Å; F13-L16 CarbonylContact O-C 3.59Å; F13-L16 WeakPolarHBondContact O-CA 3.5Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.08Å; F13-E17 HydrophobicContact CB-CG 4.44Å; F13-E17 WeakPolarHBondContact O-CG 3.3Å; F13-E17 PolarHBondContact O-N 3.32Å; F13-T24 WeakPolarHBondContact CB-OG1 3.24Å; F13-T24 HydrophobicContact CD1-CG2 4.3Å; F13-T24 HydrophobicContact CD2-CG2 4.38Å; F13-T24 HydrophobicContact CG-CG2 4.15Å; F13-L29 HydrophobicContact CD2-CD2 3.5Å; F13-L29 VanDerWaalsContact CD2-CD2 3.5Å; F13-L29 HydrophobicContact CE2-CD2 3.82Å; F13-L29 HydrophobicContact CG-CD2 4.41Å; F13-M32 HydrophobicContact CE2-CE 4.18Å; F13-M32 HydrophobicContact CE2-SD 3.85Å; F13-M32 HydrophobicContact CZ-CE 4.01Å; F13-M32 HydrophobicContact CZ-SD 3.62Å
14N77.8Confident68.6Low90 Ų90105.5 Ų105.548%0.48154%0.542SS..Hα-helixtrans-53-37179.8-77.8-51.5000113.8D12 S18D12-N14 VanDerWaalsContact CG-ND2 3.31Å; D12-N14 PolarHBondContact O-N 3.36Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.21Å; D12-N14 PolarHBondContact OD1-ND2 3.21Å; D12-N14 PolarHBondContact OD2-ND2 3.17Å; N14-S18 WeakPolarHBondContact O-CB 3.48Å; N14-S18 PolarHBondContact O-N 3.21Å; N14-S18 PolarHBondContact O-OG 2.67Å
15E79.4Confident69.9Low136 Ų136100.2 Ų100.264%0.63652%0.521SS*.Hα-helixtrans-66.4-42.4175.2-163-160.7139.200111.2F13 S18 K19F13-E15 PolarHBondContact O-N 3.27Å; F13-E15 VanDerWaalsContact O-N 3.15Å; E15-S18 PolarHBondContact O-OG 3Å; E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 3.43Å; E15-K19 VanDerWaalsContact O-N 3.09Å
16L72.4Confident71.3Confident93 Ų93100.4 Ų100.449%0.48752%0.519SS..Hα-helixtrans-67.7-41.5177.9-172.364.7000111.4F13 K19 V20F13-L16 HydrophobicContact CD1-CD2 4.12Å; F13-L16 CarbonylContact O-C 3.59Å; F13-L16 WeakPolarHBondContact O-CA 3.5Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.08Å; L16-K19 PolarHBondContact O-N 3.26Å; L16-V20 HydrophobicContact CD1-CG2 3.95Å; L16-V20 HydrophobicContact CG-CG2 4.27Å; L16-V20 VanDerWaalsContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.24Å
17E85Confident72.8Confident22 Ų2295.3 Ų95.310%0.10350%0.497CS..Hα-helixtrans-65.3-43.7179.1-68.1-174.3162.500112.4F13 K19 V20 G21 R22 K23 T24F13-E17 HydrophobicContact CB-CG 4.44Å; F13-E17 WeakPolarHBondContact O-CG 3.3Å; F13-E17 PolarHBondContact O-N 3.32Å; E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.22Å; E17-V20 PolarHBondContact O-N 3.31Å; E17-G21 WeakPolarHBondContact O-CA 3.4Å; E17-G21 PolarHBondContact O-N 3.49Å; E17-R22 WeakPolarHBondContact CA-O 3.37Å; E17-R22 WeakPolarHBondContact CB-O 3.35Å; E17-R22 WeakPolarHBondContact CG-O 3.48Å; E17-R22 PolarHBondContact O-N 2.93Å; E17-K23 VanDerWaalsContact CD-CD 3.44Å; E17-K23 HydrophobicContact CG-CD 4.38Å; E17-K23 WeakPolarHBondContact OE2-CD 3.46Å; E17-K23 WeakPolarHBondContact OE2-CE 3.47Å; E17-K23 IonicContact OE2-NZ 3.98Å; E17-K23 PolarHBondContact OE2-NZ 3.18Å; E17-T24 WeakPolarHBondContact CG-OG1 3.44Å; E17-T24 VanDerWaalsContact OE1-CB 3.29Å; E17-T24 WeakPolarHBondContact OE1-CB 3.42Å; E17-T24 PolarHBondContact OE1-N 3.49Å; E17-T24 PolarHBondContact OE1-OG1 3.41Å
18S84.5Confident74.3Confident95 Ų9591.8 Ų91.866%0.66448%0.478SS*.Hα-helixtrans-66.8-31.5175.955.80000112.5N14 E15N14-S18 WeakPolarHBondContact O-CB 3.48Å; N14-S18 PolarHBondContact O-N 3.21Å; N14-S18 PolarHBondContact O-OG 2.67Å; E15-S18 PolarHBondContact O-OG 3Å
19K81.2Confident76Confident158 Ų15886.4 Ų86.469%0.68745%0.449SS*.Hα-helixtrans-80.9-28.5177.8-174.6175.3180176.70114.3E15 L16 E17E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 3.43Å; E15-K19 VanDerWaalsContact O-N 3.09Å; L16-K19 PolarHBondContact O-N 3.26Å; E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.22Å
20V76.9Confident77.5Confident61 Ų6182.4 Ų82.437%0.3744%0.437SS..Hα-helixtrans-97.4-18.3178.4176.60000112.2L16 E17 R22 L95L16-V20 HydrophobicContact CD1-CG2 3.95Å; L16-V20 HydrophobicContact CG-CG2 4.27Å; L16-V20 VanDerWaalsContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.24Å; E17-V20 PolarHBondContact O-N 3.31Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 HydrophobicContact CG1-CB 4.34Å; V20-R22 PolarHBondContact O-N 3.41Å; V20-L95 HydrophobicContact CG1-CD1 3.86Å
21G81.6Confident78.7Confident68 Ų6882 Ų8270%0.70143%0.434SS*.THydrogen-bonded Turntrans72.316-17800000114.2E17E17-G21 WeakPolarHBondContact O-CA 3.4Å; E17-G21 PolarHBondContact O-N 3.49Å
22R74.9Confident79.4Confident106 Ų10681.1 Ų81.140%0.443%0.425SS..SBendtrans-138.7148.3-178.3-74.5-174.5-84.3-153.9-12110.2E17 V20 W94E17-R22 WeakPolarHBondContact CA-O 3.37Å; E17-R22 WeakPolarHBondContact CB-O 3.35Å; E17-R22 WeakPolarHBondContact CG-O 3.48Å; E17-R22 PolarHBondContact O-N 2.93Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 HydrophobicContact CG1-CB 4.34Å; V20-R22 PolarHBondContact O-N 3.41Å; R22-W94 PolarHBondContact NH1-O 2.93Å
23K84.7Confident79.9Confident159 Ų15982 Ų8269%0.69142%0.424SS*.PPolyproline II helixtrans-74.6149176.1-69-54.7-162.8177.70112E17E17-K23 VanDerWaalsContact CD-CD 3.44Å; E17-K23 HydrophobicContact CG-CD 4.38Å; E17-K23 WeakPolarHBondContact OE2-CD 3.46Å; E17-K23 WeakPolarHBondContact OE2-CE 3.47Å; E17-K23 IonicContact OE2-NZ 3.98Å; E17-K23 PolarHBondContact OE2-NZ 3.18Å
24T80.5Confident80Confident17 Ų1784 Ų8410%0.10444%0.436CS..PPolyproline II helixtrans-67137.2172.5-46.30000108.4F13 E17 E26 L28 L29F13-T24 WeakPolarHBondContact CB-OG1 3.24Å; F13-T24 HydrophobicContact CD1-CG2 4.3Å; F13-T24 HydrophobicContact CD2-CG2 4.38Å; F13-T24 HydrophobicContact CG-CG2 4.15Å; E17-T24 WeakPolarHBondContact CG-OG1 3.44Å; E17-T24 VanDerWaalsContact OE1-CB 3.29Å; E17-T24 WeakPolarHBondContact OE1-CB 3.42Å; E17-T24 PolarHBondContact OE1-N 3.49Å; E17-T24 PolarHBondContact OE1-OG1 3.41Å; T24-E26 PolarHBondContact O-N 3.2Å; T24-L28 HydrophobicContact CG2-CD2 4.37Å; T24-L29 HydrophobicContact CG2-CD1 4.46Å; T24-L29 HydrophobicContact CG2-CD2 3.89Å; T24-L29 HydrophobicContact CG2-CG 3.95Å
25P78.6Confident79.5Confident50 Ų5081.5 Ų81.533%0.32543%0.428SS..PPolyproline II helixtrans-62.9125.7176.923.3-31.4000110.7S27 L28 L29P25-S27 PolarHBondContact O-N 3.44Å; P25-S27 VanDerWaalsContact O-N 3.13Å; P25-L28 HydrophobicContact CG-CB 3.98Å; P25-L28 HydrophobicContact CG-CD2 4.48Å; P25-L28 WeakPolarHBondContact O-CB 3.46Å; P25-L28 PolarHBondContact O-N 3Å; P25-L29 PolarHBondContact O-N 2.9Å
26E79.7Confident79Confident145 Ų14577.3 Ų77.368%0.67842%0.417SS*.Hα-helixtrans-49.9-37.3179.3-71.5-73.1157.500112.8T24 L28 L29 V30T24-E26 PolarHBondContact O-N 3.2Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.98Å; E26-L29 PolarHBondContact O-N 3.38Å; E26-V30 WeakPolarHBondContact O-CB 3.36Å; E26-V30 VanDerWaalsContact O-CG2 3.32Å; E26-V30 WeakPolarHBondContact O-CG2 3.49Å; E26-V30 PolarHBondContact O-N 3.48Å
27S79.3Confident78.7Confident47 Ų4776.2 Ų76.233%0.32942%0.421SS..Hα-helixtrans-62.1-35.1177.651.20000113.7P25 W31 E87P25-S27 PolarHBondContact O-N 3.44Å; P25-S27 VanDerWaalsContact O-N 3.13Å; S27-W31 VanDerWaalsContact O-CB 3.25Å; S27-W31 WeakPolarHBondContact O-CB 3.39Å; S27-W31 PolarHBondContact O-N 3.31Å; S27-E87 WeakPolarHBondContact CB-OE2 3.29Å; S27-E87 PolarHBondContact OG-OE2 2.98Å
28L81.3Confident77.6Confident56 Ų5677.9 Ų77.929%0.29343%0.431SS..Hα-helixtrans-72.9-40.7175.4-176.764.2000111.1T24 P25 E26 W31 M32T24-L28 HydrophobicContact CG2-CD2 4.37Å; P25-L28 HydrophobicContact CG-CB 3.98Å; P25-L28 HydrophobicContact CG-CD2 4.48Å; P25-L28 WeakPolarHBondContact O-CB 3.46Å; P25-L28 PolarHBondContact O-N 3Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.98Å; L28-W31 HydrophobicContact CD1-CE3 4.23Å; L28-W31 PolarHBondContact O-N 3.17Å; L28-M32 HydrophobicContact CG-SD 4.46Å; L28-M32 WeakPolarHBondContact O-CG 3.4Å; L28-M32 PolarHBondContact O-N 3.3Å
29L82.9Confident76.2Confident30 Ų3078 Ų7816%0.15743%0.43CS..Hα-helixtrans-61.9-46.4175.5-65.2172.8000111.1F13 T24 P25 E26 M32 K33F13-L29 HydrophobicContact CD2-CD2 3.5Å; F13-L29 VanDerWaalsContact CD2-CD2 3.5Å; F13-L29 HydrophobicContact CE2-CD2 3.82Å; F13-L29 HydrophobicContact CG-CD2 4.41Å; T24-L29 HydrophobicContact CG2-CD1 4.46Å; T24-L29 HydrophobicContact CG2-CD2 3.89Å; T24-L29 HydrophobicContact CG2-CG 3.95Å; P25-L29 PolarHBondContact O-N 2.9Å; E26-L29 PolarHBondContact O-N 3.38Å; L29-M32 PolarHBondContact O-N 3.06Å; L29-K33 WeakPolarHBondContact O-CB 3.02Å; L29-K33 PolarHBondContact O-N 2.92Å
30V83.2Confident74.7Confident72 Ų7278.4 Ų78.444%0.43644%0.435SS..Hα-helixtrans-61.7-45.3173.8171.50000110.8E26 M32 K33 D34E26-V30 WeakPolarHBondContact O-CB 3.36Å; E26-V30 VanDerWaalsContact O-CG2 3.32Å; E26-V30 WeakPolarHBondContact O-CG2 3.49Å; E26-V30 PolarHBondContact O-N 3.48Å; V30-M32 PolarHBondContact O-N 2.93Å; V30-K33 PolarHBondContact O-N 3.04Å; V30-D34 WeakPolarHBondContact O-CB 3.36Å; V30-D34 PolarHBondContact O-N 3.42Å
31W79.9Confident73.4Confident94 Ų9478.4 Ų78.436%0.35645%0.447SS..Hα-helixtrans-60.5-43.3178.5179.381000112.8S27 L28 D34 A35 Q81 A84S27-W31 VanDerWaalsContact O-CB 3.25Å; S27-W31 WeakPolarHBondContact O-CB 3.39Å; S27-W31 PolarHBondContact O-N 3.31Å; L28-W31 HydrophobicContact CD1-CE3 4.23Å; L28-W31 PolarHBondContact O-N 3.17Å; W31-D34 PolarHBondContact O-N 3.35Å; W31-A35 WeakPolarHBondContact O-CB 3.49Å; W31-A35 PolarHBondContact O-N 3.08Å; W31-Q81 HydrophobicContact CZ2-CG 3.95Å; W31-A84 HydrophobicContact CG-CB 4.33Å
32M78.9Confident71.9Confident49 Ų4980.8 Ų80.824%0.24144%0.435CS..Hα-helixtrans-65.6-39.6177.2-70.8-178.363.400112P11 F13 L28 L29 V30 A35 A36P11-M32 HydrophobicContact CG-CE 3.62Å; F13-M32 HydrophobicContact CE2-CE 4.18Å; F13-M32 HydrophobicContact CE2-SD 3.85Å; F13-M32 HydrophobicContact CZ-CE 4.01Å; F13-M32 HydrophobicContact CZ-SD 3.62Å; L28-M32 HydrophobicContact CG-SD 4.46Å; L28-M32 WeakPolarHBondContact O-CG 3.4Å; L28-M32 PolarHBondContact O-N 3.3Å; L29-M32 PolarHBondContact O-N 3.06Å; V30-M32 PolarHBondContact O-N 2.93Å; M32-A35 PolarHBondContact O-N 3.09Å; M32-A36 PolarHBondContact O-N 3.37Å; M32-A36 VanDerWaalsContact O-N 3.16Å
33K81.6Confident70.5Confident134 Ų13481.9 Ų81.958%0.58345%0.454SS*.Hα-helixtrans-64.8-44.7175.8-171.4178.2177.7-178.80112.3Y10 L29 V30 A36 A37Y10-K33 HydrophobicContact CE2-CB 4.05Å; Y10-K33 HydrophobicContact CE2-CG 4.42Å; L29-K33 WeakPolarHBondContact O-CB 3.02Å; L29-K33 PolarHBondContact O-N 2.92Å; V30-K33 PolarHBondContact O-N 3.04Å; K33-A36 PolarHBondContact O-N 3.49Å; K33-A37 PolarHBondContact O-N 3.36Å
34D75.2Confident68.9Low81 Ų8178.6 Ų78.643%0.43346%0.456SS..Hα-helixtrans-68.6-36.8177.9-73.1-1.7000111.4V30 W31 A36 A37 D38V30-D34 WeakPolarHBondContact O-CB 3.36Å; V30-D34 PolarHBondContact O-N 3.42Å; W31-D34 PolarHBondContact O-N 3.35Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.16Å; D34-A37 PolarHBondContact O-N 2.84Å; D34-D38 WeakPolarHBondContact O-CB 3.36Å; D34-D38 PolarHBondContact O-N 2.75Å
35A68.8Low67.5Low38 Ų3883.7 Ų83.731%0.31448%0.483SS..Hα-helixtrans-65.8-33177.100000112.9W31 M32 C39W31-A35 WeakPolarHBondContact O-CB 3.49Å; W31-A35 PolarHBondContact O-N 3.08Å; M32-A35 PolarHBondContact O-N 3.09Å; A35-C39 PolarHBondContact O-SG 2.92Å
36A67.9Low66.4Low48 Ų4887.2 Ų87.240%0.39751%0.506SS..Hα-helixtrans-66-42.3171.700000111.6M32 K33 D34M32-A36 PolarHBondContact O-N 3.37Å; M32-A36 VanDerWaalsContact O-N 3.16Å; K33-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.16Å
37A66.8Low65.3Low70 Ų7084.8 Ų84.858%0.57951%0.505SS*.Hα-helixtrans-70.4-33.7179.400000113.8K33 D34 C39K33-A37 PolarHBondContact O-N 3.36Å; D34-A37 PolarHBondContact O-N 2.84Å; A37-C39 PolarHBondContact O-N 2.69Å
38D61.1Low63.8Low57 Ų5785.7 Ų85.731%0.30552%0.521SS..THydrogen-bonded Turntrans-79.44.9-176.9-1531000113.5D34 W42 R77D34-D38 WeakPolarHBondContact O-CB 3.36Å; D34-D38 PolarHBondContact O-N 2.75Å; D38-W42 VanDerWaalsContact O-CD1 3.29Å; D38-W42 PolarHBondContact O-NE1 3.35Å; D38-W42 PolarHBondContact OD1-NE1 2.77Å; D38-R77 IonicContact OD1-NH1 3.76Å; D38-R77 PolarHBondContact OD1-NH1 2.88Å; D38-R77 VanDerWaalsContact OD1-NH1 3.17Å; D38-R77 WeakPolarHBondContact OD2-CD 3.35Å; D38-R77 IonicContact OD2-CZ 3.17Å; D38-R77 IonicContact OD2-NE 3.63Å; D38-R77 PolarHBondContact OD2-NE 3.32Å; D38-R77 IonicContact OD2-NH1 3.11Å; D38-R77 PolarHBondContact OD2-NH1 3.5Å
39C54.8Low62.7Low97 Ų9795.1 Ų95.166%0.65555%0.553SS**THydrogen-bonded Turntrans-86.3-24.3173.4-69.50000113.6A35 A37A35-C39 PolarHBondContact O-SG 2.92Å; A37-C39 PolarHBondContact O-N 2.69Å
40E49.5Very low61.6Low167 Ų16798.2 Ų98.278%0.7858%0.577SS**SBendtrans-85.8-20.9-170.3-61.1-173.6167.100114
41G49.3Very low60.2Low62 Ų62102 Ų10264%0.63960%0.595SS**SBendtrans-89.7-0.1-167.900000117.6
42W51.6Low59.4Low118 Ų118105.3 Ų105.345%0.44761%0.614SS.*SBendtrans-1111.7-160.9-66.363.4000115D38 W70D38-W42 VanDerWaalsContact O-CD1 3.29Å; D38-W42 PolarHBondContact O-NE1 3.35Å; D38-W42 PolarHBondContact OD1-NE1 2.77Å; W42-W70 AromaticContact CE3-NE1 3.84Å; W42-W70 AromaticContact CZ3-CD1 3.82Å; W42-W70 AromaticContact CZ3-NE1 3.23Å
43T44.8Very low58.5Low129 Ų129109.8 Ų109.879%0.79164%0.644SS**  trans-9919.517952.40000114.2D45T43-D45 PolarHBondContact O-N 3.3Å
44A51.8Low57.5Low89 Ų89107.9 Ų107.974%0.73665%0.648SS**  trans-72.476.9168.400000110.4P46A44-P46 WeakPolarHBondContact O-CD 3.28Å
45D50.9Low57.1Low124 Ų124108.5 Ų108.566%0.66365%0.651SS**  trans-54.3118.6172.4-179.415.9000109.8T43 S47T43-D45 PolarHBondContact O-N 3.3Å; D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.04Å
46P55.9Low58Low124 Ų124107.3 Ų107.381%0.80564%0.643SS**  trans-76.747.7178.934.3-36.3000111.5A44 G48A44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-G48 PolarHBondContact O-N 3.37Å
47S55.8Low59.1Low95 Ų95111.4 Ų111.466%0.66466%0.657SS**  trans-76.748.2177.1-149.50000111.9D45 R49D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.04Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.36Å; S47-R49 VanDerWaalsContact O-N 3.12Å
48G48.4Very low60.3Low65 Ų65111.1 Ų111.167%0.6765%0.651SS**  trans-79.880170.200000110.1P46 S50P46-G48 PolarHBondContact O-N 3.37Å; G48-S50 PolarHBondContact O-N 3.33Å
49R58.1Low61.9Low255 Ų255112 Ų11296%0.96266%0.655SS**  trans-45.898.3177-177.6-178.4178.4-134.40.5112.1S47S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.36Å; S47-R49 VanDerWaalsContact O-N 3.12Å
50S58.9Low63.8Low95 Ų95112.7 Ų112.766%0.66465%0.648SS**  trans-119.9132.4178.1-169.30000110.3G48 H52G48-S50 PolarHBondContact O-N 3.33Å; S50-H52 PolarHBondContact O-N 3.04Å
51D54.2Low66Low152 Ų152108.2 Ų108.281%0.81363%0.628SS**  trans-80.4116.8-171-149.4-7.2000110.7T53D51-T53 PolarHBondContact O-N 3.4Å; D51-T53 VanDerWaalsContact O-N 3.11Å
52H64.1Low68.2Low162 Ų162109.3 Ų109.375%0.7562%0.62SS**  trans-7899.1-168-67.9-81.8000112.5S50S50-H52 PolarHBondContact O-N 3.04Å
53T58.8Low70.3Confident143 Ų143107.5 Ų107.588%0.87762%0.621SS**SBendtrans-121.2-8.3162.648.30000114.7D51D51-T53 PolarHBondContact O-N 3.4Å; D51-T53 VanDerWaalsContact O-N 3.11Å
54S60.8Low72.8Confident94 Ų94105.9 Ų105.966%0.65761%0.608SS**  trans-154.6109.9156.259.50000110.1G56S54-G56 PolarHBondContact O-N 2.87Å
55D67.1Low74.8Confident95 Ų95106.5 Ų106.551%0.50859%0.593SS.*  trans-63.892.3158.116936.1000106.7K60D55-K60 VanDerWaalsContact OD1-CG 3.29Å; D55-K60 WeakPolarHBondContact OD1-CG 3.43Å; D55-K60 VanDerWaalsContact OD2-CD 3.3Å; D55-K60 WeakPolarHBondContact OD2-CD 3.3Å; D55-K60 IonicContact OD2-NZ 3.5Å; D55-K60 PolarHBondContact OD2-NZ 2.74Å; D55-K60 VanDerWaalsContact OD2-NZ 3.11Å
56G86.9Confident76.9Confident13 Ų13105.7 Ų105.713%0.13459%0.586CS.*  trans-66.6142.2-170.200000110.2S54 S58 D59 K60S54-G56 PolarHBondContact O-N 2.87Å; G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.09Å; G56-D59 PolarHBondContact N-OD2 3.45Å; G56-D59 VanDerWaalsContact N-OD2 3.12Å; G56-D59 PolarHBondContact O-N 2.78Å; G56-K60 WeakPolarHBondContact O-CG 3.27Å; G56-K60 PolarHBondContact O-N 3.4Å; G56-K60 VanDerWaalsContact O-N 3.17Å
57L92.7Very high78.8Confident133 Ų133105.2 Ų105.270%0.69657%0.573SS**Hα-helixtrans-52.6-32.6167.3178.361.8000111D59 I61L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 2.84Å; L57-I61 HydrophobicContact CD1-CD1 4.15Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CD1 3.43Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.06Å
58S91.9Very high80.8Confident65 Ų65105.7 Ų105.746%0.45557%0.566SS.*Hα-helixtrans-53.7-45.3169.348.30000113.7G56 I61 N62G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.09Å; S58-I61 PolarHBondContact O-N 2.91Å; S58-N62 WeakPolarHBondContact O-CB 3.46Å; S58-N62 PolarHBondContact O-N 3.36Å; S58-N62 PolarHBondContact O-ND2 2.85Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å
59D93.4Very high83.1Confident74 Ų74109.1 Ų109.140%0.39656%0.559SS.*Hα-helixtrans-76.9-43.7-169-50.6-24.8000108.5G56 L57 I61 N62 T63G56-D59 PolarHBondContact N-OD2 3.45Å; G56-D59 VanDerWaalsContact N-OD2 3.12Å; G56-D59 PolarHBondContact O-N 2.78Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 2.84Å; D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.42Å; D59-N62 CarbonylContact O-C 3.53Å; D59-N62 WeakPolarHBondContact O-CA 3.4Å; D59-N62 WeakPolarHBondContact O-CB 3.36Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-T63 PolarHBondContact O-N 3.26Å; D59-T63 PolarHBondContact O-OG1 3.04Å; D59-T63 VanDerWaalsContact O-OG1 3.1Å
60K95.4Very high84.7Confident113 Ų113104.1 Ų104.149%0.49154%0.54SS..Hα-helixtrans-58-41.6170-54.3174.383.2131.90112.5D55 G56 N62 T63 L64D55-K60 VanDerWaalsContact OD1-CG 3.29Å; D55-K60 WeakPolarHBondContact OD1-CG 3.43Å; D55-K60 VanDerWaalsContact OD2-CD 3.3Å; D55-K60 WeakPolarHBondContact OD2-CD 3.3Å; D55-K60 IonicContact OD2-NZ 3.5Å; D55-K60 PolarHBondContact OD2-NZ 2.74Å; D55-K60 VanDerWaalsContact OD2-NZ 3.11Å; G56-K60 WeakPolarHBondContact O-CG 3.27Å; G56-K60 PolarHBondContact O-N 3.4Å; G56-K60 VanDerWaalsContact O-N 3.17Å; K60-N62 VanDerWaalsContact C-N 3.32Å; K60-T63 PolarHBondContact O-N 3.13Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 PolarHBondContact O-N 3.18Å
61I95.1Very high86.6Confident72 Ų72104.1 Ų104.137%0.36953%0.532SS..Hα-helixtrans-63.8-38173.5-75.3167000110.9L57 S58 D59 K65L57-I61 HydrophobicContact CD1-CD1 4.15Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CD1 3.43Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.06Å; S58-I61 PolarHBondContact O-N 2.91Å; D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.42Å; I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 VanDerWaalsContact CG2-CE 3.49Å; I61-K65 WeakPolarHBondContact O-CB 3.42Å; I61-K65 WeakPolarHBondContact O-CD 3.32Å; I61-K65 WeakPolarHBondContact O-CG 3.28Å; I61-K65 PolarHBondContact O-N 2.97Å
62N95.4Very high88.5Confident86 Ų86103.6 Ų103.646%0.4652%0.518SS..Hα-helixtrans-73-39178.4-69.8-29.3000112.2S58 D59 K60 K65 Q66S58-N62 WeakPolarHBondContact O-CB 3.46Å; S58-N62 PolarHBondContact O-N 3.36Å; S58-N62 PolarHBondContact O-ND2 2.85Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å; D59-N62 CarbonylContact O-C 3.53Å; D59-N62 WeakPolarHBondContact O-CA 3.4Å; D59-N62 WeakPolarHBondContact O-CB 3.36Å; D59-N62 PolarHBondContact O-N 2.94Å; K60-N62 VanDerWaalsContact C-N 3.32Å; N62-K65 PolarHBondContact O-N 2.87Å; N62-Q66 PolarHBondContact O-N 3.11Å
63T95.4Very high89.9Confident79 Ų7999.2 Ų99.249%0.48551%0.505SS..Hα-helixtrans-58.9-52.5170.9-58.70000110.6D59 K60 K65 Q66 E67D59-T63 PolarHBondContact O-N 3.26Å; D59-T63 PolarHBondContact O-OG1 3.04Å; D59-T63 VanDerWaalsContact O-OG1 3.1Å; K60-T63 PolarHBondContact O-N 3.13Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 2.69Å; T63-Q66 CarbonylContact O-C 3.56Å; T63-Q66 WeakPolarHBondContact O-CA 3.47Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 2.86Å; T63-E67 HydrophobicContact CG2-CG 4.45Å; T63-E67 PolarHBondContact O-N 2.84Å
64L97.4Very high91.6Very high96 Ų9693.5 Ų93.550%0.50347%0.472SS..Hα-helixtrans-59.1-41.2177.5179.662.6000112.1K60 Q66 E67 M68K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 PolarHBondContact O-N 3.18Å; L64-Q66 PolarHBondContact O-N 3.22Å; L64-E67 PolarHBondContact O-N 2.82Å; L64-M68 HydrophobicContact CD1-CG 4.32Å; L64-M68 WeakPolarHBondContact O-CB 3.46Å; L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.74Å
65K95.1Very high93.3Very high101 Ų10192.6 Ų92.644%0.43946%0.46SS..Hα-helixtrans-59.7-36.4173.2-76.5167.2-174.51680112I61 N62 T63 R69I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 VanDerWaalsContact CG2-CE 3.49Å; I61-K65 WeakPolarHBondContact O-CB 3.42Å; I61-K65 WeakPolarHBondContact O-CD 3.32Å; I61-K65 WeakPolarHBondContact O-CG 3.28Å; I61-K65 PolarHBondContact O-N 2.97Å; N62-K65 PolarHBondContact O-N 2.87Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 2.69Å; K65-R69 WeakPolarHBondContact O-CG 3.25Å; K65-R69 PolarHBondContact O-N 2.76Å; K65-R69 VanDerWaalsContact O-N 3.17Å
66Q94.9Very high94.6Very high108 Ų10891.3 Ų91.351%0.50546%0.455SS..Hα-helixtrans-74.2-42.7178.5-170.958.518.800112N62 T63 L64 M68 R69 W70N62-Q66 PolarHBondContact O-N 3.11Å; T63-Q66 CarbonylContact O-C 3.56Å; T63-Q66 WeakPolarHBondContact O-CA 3.47Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 2.86Å; L64-Q66 PolarHBondContact O-N 3.22Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; Q66-M68 PolarHBondContact O-N 3.23Å; Q66-R69 WeakPolarHBondContact O-CB 3.33Å; Q66-R69 PolarHBondContact O-N 2.6Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; Q66-W70 PolarHBondContact O-N 3.09Å
67E96Very high94.9Very high114 Ų11494.6 Ų94.653%0.53346%0.464SS..Hα-helixtrans-59.6-41.9172.4-68.9175.6161.100111.6T63 L64 R69 W70 L71T63-E67 HydrophobicContact CG2-CG 4.45Å; T63-E67 PolarHBondContact O-N 2.84Å; L64-E67 PolarHBondContact O-N 2.82Å; E67-R69 VanDerWaalsContact C-N 3.34Å; E67-R69 PolarHBondContact O-N 2.69Å; E67-W70 WeakPolarHBondContact O-CB 3.2Å; E67-W70 PolarHBondContact O-N 3.32Å; E67-L71 PolarHBondContact O-N 2.8Å
68M97.8Very high95Very high104 Ų10492.3 Ų92.351%0.51245%0.452SS..Hα-helixtrans-64.8-34.6174.7-71.9-162.688.100112.8L64 Q66 R72L64-M68 HydrophobicContact CD1-CG 4.32Å; L64-M68 WeakPolarHBondContact O-CB 3.46Å; L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.74Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; Q66-M68 PolarHBondContact O-N 3.23Å; M68-R72 WeakPolarHBondContact O-CG 3.39Å; M68-R72 PolarHBondContact O-N 2.97Å; M68-R72 VanDerWaalsContact O-N 3.14Å
69R94.7Very high95.2Very high138 Ų13894.3 Ų94.352%0.52146%0.456SS..Hα-helixtrans-66.8-43.8171.3-71.6177.1-163.4117.80.3111K65 Q66 E67 L71 R72 C73K65-R69 WeakPolarHBondContact O-CG 3.25Å; K65-R69 PolarHBondContact O-N 2.76Å; K65-R69 VanDerWaalsContact O-N 3.17Å; Q66-R69 WeakPolarHBondContact O-CB 3.33Å; Q66-R69 PolarHBondContact O-N 2.6Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; E67-R69 VanDerWaalsContact C-N 3.34Å; E67-R69 PolarHBondContact O-N 2.69Å; R69-L71 PolarHBondContact O-N 2.78Å; R69-R72 WeakPolarHBondContact O-CB 3.1Å; R69-R72 PolarHBondContact O-N 3.46Å; R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.95Å
70W93.4Very high95.2Very high150 Ų15098 Ų9857%0.56847%0.465SS*.Hα-helixtrans-59.2-46.3178.4-176.489000111.7W42 Q66 E67 R72 C73 A74W42-W70 AromaticContact CE3-NE1 3.84Å; W42-W70 AromaticContact CZ3-CD1 3.82Å; W42-W70 AromaticContact CZ3-NE1 3.23Å; Q66-W70 PolarHBondContact O-N 3.09Å; E67-W70 WeakPolarHBondContact O-CB 3.2Å; E67-W70 PolarHBondContact O-N 3.32Å; W70-R72 PolarHBondContact O-N 2.53Å; W70-C73 WeakPolarHBondContact O-CB 3.32Å; W70-C73 PolarHBondContact O-N 3.39Å; W70-A74 PolarHBondContact O-N 3Å
71L97.1Very high95.1Very high94 Ų9496.5 Ų96.549%0.49246%0.459SS..Hα-helixtrans-60.3-45.6175-175.263.7000111.8E67 R69 C73 A74 D75E67-L71 PolarHBondContact O-N 2.8Å; R69-L71 PolarHBondContact O-N 2.78Å; L71-C73 VanDerWaalsContact C-N 3.28Å; L71-C73 PolarHBondContact O-N 3.25Å; L71-A74 WeakPolarHBondContact O-CB 3.36Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-A74 VanDerWaalsContact O-N 3.13Å; L71-D75 PolarHBondContact O-N 3.44Å
72R94.9Very high95.2Very high142 Ų14298.1 Ų98.154%0.53647%0.468SS..Hα-helixtrans-59.3-37.9175.1-66.2-91.5-166.5865112.3M68 R69 W70 V76M68-R72 WeakPolarHBondContact O-CG 3.39Å; M68-R72 PolarHBondContact O-N 2.97Å; M68-R72 VanDerWaalsContact O-N 3.14Å; R69-R72 WeakPolarHBondContact O-CB 3.1Å; R69-R72 PolarHBondContact O-N 3.46Å; W70-R72 PolarHBondContact O-N 2.53Å; R72-V76 WeakPolarHBondContact O-CG2 3.33Å; R72-V76 PolarHBondContact O-N 3.13Å
73C92.8Very high95.2Very high69 Ų6997.7 Ų97.747%0.46647%0.469SS..Hα-helixtrans-68.3-41.3175.3-68.30000111.7R69 W70 L71 V76 R77R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.95Å; W70-C73 WeakPolarHBondContact O-CB 3.32Å; W70-C73 PolarHBondContact O-N 3.39Å; L71-C73 VanDerWaalsContact C-N 3.28Å; L71-C73 PolarHBondContact O-N 3.25Å; C73-V76 PolarHBondContact O-N 3.32Å; C73-R77 WeakPolarHBondContact O-CG 3.25Å; C73-R77 PolarHBondContact O-N 3.41Å
74A94.9Very high95Very high23 Ų2394.6 Ų94.619%0.1945%0.451CS..Hα-helixtrans-61.7-45175.100000111.7W70 L71 V76 R77 I78W70-A74 PolarHBondContact O-N 3Å; L71-A74 WeakPolarHBondContact O-CB 3.36Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-A74 VanDerWaalsContact O-N 3.13Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.93Å; A74-R77 PolarHBondContact O-N 2.93Å; A74-R77 VanDerWaalsContact O-N 3.13Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 2.84Å
75D96.9Very high95Very high75 Ų7594.2 Ų94.240%0.40145%0.453SS..Hα-helixtrans-55.6-46.7175.4-68.7-24.7000111.4L71 R77 I78 L79L71-D75 PolarHBondContact O-N 3.44Å; D75-R77 PolarHBondContact O-N 3.29Å; D75-I78 PolarHBondContact O-N 2.89Å; D75-L79 WeakPolarHBondContact O-CB 3.4Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.19Å; D75-L79 PolarHBondContact O-N 2.93Å
76V94.8Very high95Very high68 Ų6894.6 Ų94.641%0.41246%0.456SS..Hα-helixtrans-63.9-38.8177.9172.40000111.8R72 C73 A74 R80R72-V76 WeakPolarHBondContact O-CG2 3.33Å; R72-V76 PolarHBondContact O-N 3.13Å; C73-V76 PolarHBondContact O-N 3.32Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.93Å; V76-R80 VanDerWaalsContact O-CG 3.32Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 2.82Å
77R92.3Very high95Very high82 Ų8293 Ų9331%0.30945%0.448SS..Hα-helixtrans-64.2-45.5175.1-74.717563.5148.2-5.4111.6D38 C73 A74 D75 R80 Q81D38-R77 IonicContact OD1-NH1 3.76Å; D38-R77 PolarHBondContact OD1-NH1 2.88Å; D38-R77 VanDerWaalsContact OD1-NH1 3.17Å; D38-R77 WeakPolarHBondContact OD2-CD 3.35Å; D38-R77 IonicContact OD2-CZ 3.17Å; D38-R77 IonicContact OD2-NE 3.63Å; D38-R77 PolarHBondContact OD2-NE 3.32Å; D38-R77 IonicContact OD2-NH1 3.11Å; D38-R77 PolarHBondContact OD2-NH1 3.5Å; C73-R77 WeakPolarHBondContact O-CG 3.25Å; C73-R77 PolarHBondContact O-N 3.41Å; A74-R77 PolarHBondContact O-N 2.93Å; A74-R77 VanDerWaalsContact O-N 3.13Å; D75-R77 PolarHBondContact O-N 3.29Å; R77-R80 PolarHBondContact O-N 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.49Å; R77-Q81 PolarHBondContact O-N 2.95Å
78I94.8Very high94.9Very high86 Ų8688.7 Ų88.744%0.44144%0.435SS..Hα-helixtrans-62-45.5177.2-67.1163.5000110.4A74 D75 R80 Q81 L82A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 2.84Å; D75-I78 PolarHBondContact O-N 2.89Å; I78-R80 PolarHBondContact O-N 2.94Å; I78-Q81 PolarHBondContact O-N 3.08Å; I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.36Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.4Å
79L97.1Very high94.7Very high106 Ų10687.7 Ų87.756%0.55543%0.431SS*.Hα-helixtrans-60.7-42.6177.4-72.9168.4000112.2D75 L82 V83D75-L79 WeakPolarHBondContact O-CB 3.4Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.19Å; D75-L79 PolarHBondContact O-N 2.93Å; L79-L82 PolarHBondContact O-N 3.21Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.41Å; L79-V83 VanDerWaalsContact O-N 3.1Å
80R92.6Very high94.7Very high152 Ų15283.2 Ų83.257%0.57442%0.416SS*.Hα-helixtrans-62.8-43.6174.6-72.5174.3-176.3-172.71.8112.2V76 R77 I78 V83 A84V76-R80 VanDerWaalsContact O-CG 3.32Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 2.82Å; R77-R80 PolarHBondContact O-N 3.31Å; I78-R80 PolarHBondContact O-N 2.94Å; R80-V83 PolarHBondContact O-N 3.15Å; R80-A84 PolarHBondContact O-N 3.37Å
81Q94.6Very high94.5Very high81 Ų8178.2 Ų78.238%0.37941%0.406SS..Hα-helixtrans-61.6-43.9176.1-74.9174.2-10.800112W31 R77 I78 V83 A84 V85W31-Q81 HydrophobicContact CZ2-CG 3.95Å; R77-Q81 WeakPolarHBondContact O-CG 3.49Å; R77-Q81 PolarHBondContact O-N 2.95Å; I78-Q81 PolarHBondContact O-N 3.08Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; Q81-A84 PolarHBondContact O-N 3.47Å; Q81-V85 WeakPolarHBondContact O-CB 3.49Å; Q81-V85 WeakPolarHBondContact O-CG2 3.05Å; Q81-V85 PolarHBondContact O-N 2.94Å
82L96.8Very high94.2Very high106 Ų10679 Ų7956%0.55541%0.409SS*.Hα-helixtrans-62.2-39.3177.7-73.1170.1000112.4I78 L79 H86I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.36Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.4Å; L79-L82 PolarHBondContact O-N 3.21Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.79Å
83V94.5Very high94Very high78 Ų7878.1 Ų78.147%0.47341%0.406SS..Hα-helixtrans-64.9-47.5174.5171.90000111L79 R80 Q81 V85 H86 E87L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.41Å; L79-V83 VanDerWaalsContact O-N 3.1Å; R80-V83 PolarHBondContact O-N 3.15Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 2.97Å; V83-H86 WeakPolarHBondContact O-CB 3.44Å; V83-H86 PolarHBondContact O-N 3.23Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.49Å; V83-E87 WeakPolarHBondContact O-CG 3.45Å; V83-E87 PolarHBondContact O-N 2.93Å
84A91.8Very high93.9Very high14 Ų1482.4 Ų82.412%0.11641%0.412CS..Hα-helixtrans-61.3-40177.600000112.6W31 R80 Q81 E87 G88W31-A84 HydrophobicContact CG-CB 4.33Å; R80-A84 PolarHBondContact O-N 3.37Å; Q81-A84 PolarHBondContact O-N 3.47Å; A84-E87 PolarHBondContact O-N 2.73Å; A84-G88 PolarHBondContact O-N 3.01Å
85V96.4Very high93.5Very high88 Ų8884.1 Ų84.153%0.53342%0.418SS..Hα-helixtrans-65.1-43.5174.51690000111.4Q81 V83 G88 I89Q81-V85 WeakPolarHBondContact O-CB 3.49Å; Q81-V85 WeakPolarHBondContact O-CG2 3.05Å; Q81-V85 PolarHBondContact O-N 2.94Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 2.97Å; V85-G88 PolarHBondContact O-N 3.24Å; V85-I89 HydrophobicContact CG1-CD1 3.84Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.04Å
86H96.7Very high93Very high109 Ų10986.9 Ų86.951%0.50543%0.43SS..Hα-helixtrans-58.6-48.9175.3171.6-85.9000111.3L82 V83 G88 I89 E90L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.79Å; V83-H86 WeakPolarHBondContact O-CB 3.44Å; V83-H86 PolarHBondContact O-N 3.23Å; H86-G88 VanDerWaalsContact C-N 3.33Å; H86-G88 PolarHBondContact O-N 2.92Å; H86-I89 PolarHBondContact O-N 2.86Å; H86-I89 VanDerWaalsContact O-N 3.15Å; H86-E90 IonicContact NE2-OE1 3.05Å; H86-E90 WeakPolarHBondContact O-CG 3.46Å; H86-E90 PolarHBondContact O-N 3.46Å
87E93.9Very high92.5Very high73 Ų7388.7 Ų88.734%0.34143%0.434SS..Hα-helixtrans-62.1-38.2177.8-70172.2-177.300112.5S27 V83 A84 E90 A91S27-E87 WeakPolarHBondContact CB-OE2 3.29Å; S27-E87 PolarHBondContact OG-OE2 2.98Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.49Å; V83-E87 WeakPolarHBondContact O-CG 3.45Å; V83-E87 PolarHBondContact O-N 2.93Å; A84-E87 PolarHBondContact O-N 2.73Å; E87-E90 PolarHBondContact O-N 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.39Å; E87-A91 PolarHBondContact O-N 2.83Å
88G93.8Very high91.4Very high25 Ų2589.5 Ų89.526%0.25844%0.441SS..Hα-helixtrans-63-40.617200000113.4A84 V85 H86 A91 M92A84-G88 PolarHBondContact O-N 3.01Å; V85-G88 PolarHBondContact O-N 3.24Å; H86-G88 VanDerWaalsContact C-N 3.33Å; H86-G88 PolarHBondContact O-N 2.92Å; G88-A91 PolarHBondContact O-N 3.31Å; G88-M92 WeakPolarHBondContact O-CG 3.38Å; G88-M92 PolarHBondContact O-N 2.93Å
89I93.4Very high89.9Confident82 Ų8293.8 Ų93.842%0.42145%0.452SS..Hα-helixtrans-66-42.5175.6-69.6165000111.1V85 H86 M92 R93V85-I89 HydrophobicContact CG1-CD1 3.84Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.04Å; H86-I89 PolarHBondContact O-N 2.86Å; H86-I89 VanDerWaalsContact O-N 3.15Å; I89-M92 HydrophobicContact CG1-CE 4.16Å; I89-M92 PolarHBondContact O-N 3.03Å; I89-R93 PolarHBondContact O-N 3.04Å
90E94.6Very high88.1Confident44 Ų4490.7 Ų90.721%0.20645%0.445CS..Hα-helixtrans-60.9-47.1174.1-68.2-58.6134.300111H86 E87 M92 R93 W94H86-E90 IonicContact NE2-OE1 3.05Å; H86-E90 WeakPolarHBondContact O-CG 3.46Å; H86-E90 PolarHBondContact O-N 3.46Å; E87-E90 PolarHBondContact O-N 3.05Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.15Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 2.7Å; E90-R93 IonicContact OE1-NH1 3.41Å; E90-R93 PolarHBondContact OE1-NH1 2.8Å; E90-R93 IonicContact OE1-NH2 2.77Å; E90-R93 PolarHBondContact OE1-NH2 3.37Å; E90-R93 IonicContact OE2-CZ 3.47Å; E90-R93 IonicContact OE2-NH1 3.18Å; E90-R93 PolarHBondContact OE2-NH1 2.91Å; E90-R93 IonicContact OE2-NH2 2.6Å; E90-W94 PolarHBondContact O-N 3.03Å
91A90.3Very high86.3Confident45 Ų4587.9 Ų87.937%0.37244%0.441SS..Hα-helixtrans-58.9-40.6176.400000112.7E87 G88 L95E87-A91 WeakPolarHBondContact O-CB 3.39Å; E87-A91 PolarHBondContact O-N 2.83Å; G88-A91 PolarHBondContact O-N 3.31Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 2.96Å
92M90.4Very high84.3Confident112 Ų11289.5 Ų89.555%0.55245%0.449SS*.Hα-helixtrans-64.9-40.2172.4-73.7-170.2-65.800112.3G88 I89 E90 L95 M96G88-M92 WeakPolarHBondContact O-CG 3.38Å; G88-M92 PolarHBondContact O-N 2.93Å; I89-M92 HydrophobicContact CG1-CE 4.16Å; I89-M92 PolarHBondContact O-N 3.03Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.15Å; M92-L95 PolarHBondContact O-N 3.47Å; M92-L95 VanDerWaalsContact O-N 3.13Å; M92-M96 WeakPolarHBondContact O-CB 3.48Å; M92-M96 VanDerWaalsContact O-CG 3.29Å; M92-M96 WeakPolarHBondContact O-CG 3.21Å; M92-M96 PolarHBondContact O-N 3.34Å
93R90.6Very high82Confident122 Ų12289.5 Ų89.546%0.4645%0.453SS..Hα-helixtrans-60.6-48.4175.8-167.2-173.8-56.3133.914.5111.2I89 E90 L95 M96 E97I89-R93 PolarHBondContact O-N 3.04Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 2.7Å; E90-R93 IonicContact OE1-NH1 3.41Å; E90-R93 PolarHBondContact OE1-NH1 2.8Å; E90-R93 IonicContact OE1-NH2 2.77Å; E90-R93 PolarHBondContact OE1-NH2 3.37Å; E90-R93 IonicContact OE2-CZ 3.47Å; E90-R93 IonicContact OE2-NH1 3.18Å; E90-R93 PolarHBondContact OE2-NH1 2.91Å; E90-R93 IonicContact OE2-NH2 2.6Å; R93-L95 PolarHBondContact O-N 3.44Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-M96 VanDerWaalsContact O-N 3.11Å; R93-E97 WeakPolarHBondContact O-CB 3.31Å; R93-E97 PolarHBondContact O-N 3.41Å
94W91.1Very high79.8Confident159 Ų15989 Ų8960%0.60245%0.454SS*.Hα-helixtrans-60.5-28.8174.5-65.8119.9000113.2R22 E90R22-W94 PolarHBondContact NH1-O 2.93Å; E90-W94 PolarHBondContact O-N 3.03Å
95L85.9Confident77.8Confident59 Ų5997.7 Ų97.731%0.30948%0.483SS..Hα-helixtrans-77.1-37.9173.9-175.9147.2000112.6V20 A91 M92 R93 R99V20-L95 HydrophobicContact CG1-CD1 3.86Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 2.96Å; M92-L95 PolarHBondContact O-N 3.47Å; M92-L95 VanDerWaalsContact O-N 3.13Å; R93-L95 PolarHBondContact O-N 3.44Å; L95-R99 WeakPolarHBondContact O-CG 3.46Å
96M87.3Confident75.3Confident134 Ų13498.8 Ų98.866%0.6649%0.493SS*.Hα-helixtrans-76.8-38.6-178.6-71.4175.367.600112.8M92 R93 E98 R99 G100M92-M96 WeakPolarHBondContact O-CB 3.48Å; M92-M96 VanDerWaalsContact O-CG 3.29Å; M92-M96 WeakPolarHBondContact O-CG 3.21Å; M92-M96 PolarHBondContact O-N 3.34Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-M96 VanDerWaalsContact O-N 3.11Å; M96-E98 PolarHBondContact O-N 3.44Å; M96-R99 PolarHBondContact O-N 2.93Å; M96-G100 PolarHBondContact O-N 2.85Å
97E84.4Confident73.3Confident105 Ų10598.1 Ų98.149%0.49150%0.501SS..Hα-helixtrans-60.8-45.3177.9-173.7165.2-161.100111.3R93 R99 G100 L101R93-E97 WeakPolarHBondContact O-CB 3.31Å; R93-E97 PolarHBondContact O-N 3.41Å; E97-R99 VanDerWaalsContact C-N 3.32Å; E97-R99 PolarHBondContact O-N 2.89Å; E97-G100 PolarHBondContact O-N 2.89Å; E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 PolarHBondContact O-N 3.24Å
98E69.2Low71.4Confident99 Ų9999.3 Ų99.346%0.46352%0.517SS..Hα-helixtrans-55-43.9173-17067.8-122.200112.1M96 Q102M96-E98 PolarHBondContact O-N 3.44Å; E98-Q102 VanDerWaalsContact O-CG 3.3Å; E98-Q102 WeakPolarHBondContact O-CG 3.44Å; E98-Q102 PolarHBondContact O-N 2.91Å; E98-Q102 PolarHBondContact OE1-NE2 2.98Å
99R62.6Low69.2Low177 Ų177106.1 Ų106.167%0.66855%0.547SS*.Hα-helixtrans-78.5-30.7-178.8-63.3-174.186.3105.12.9113.3L95 M96 E97 Q102 T103L95-R99 WeakPolarHBondContact O-CG 3.46Å; M96-R99 PolarHBondContact O-N 2.93Å; E97-R99 VanDerWaalsContact C-N 3.32Å; E97-R99 PolarHBondContact O-N 2.89Å; R99-Q102 PolarHBondContact O-N 3.35Å; R99-T103 WeakPolarHBondContact O-CB 3.43Å; R99-T103 WeakPolarHBondContact O-CG2 3.47Å; R99-T103 PolarHBondContact O-N 3.47Å
100G60.1Low67Low40 Ų40108.1 Ų108.141%0.41257%0.568SS.*Hα-helixtrans-66.2-35.7175.700000113.2M96 E97 S104M96-G100 PolarHBondContact O-N 2.85Å; E97-G100 PolarHBondContact O-N 2.89Å; G100-S104 PolarHBondContact O-OG 3.25Å; G100-S104 VanDerWaalsContact O-OG 3.04Å
101L53.6Low64.9Low93 Ų93108.9 Ų108.949%0.48759%0.588SS.*Hα-helixtrans-74.1-33.4173.9-79.4156.7000112.8E97 S104E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 PolarHBondContact O-N 3.24Å; L101-S104 PolarHBondContact O-OG 3.07Å
102Q53.3Low63.1Low115 Ų115111.9 Ų111.954%0.53761%0.606SS.*Hα-helixtrans-79.2-34.6179.5-68.8-178.425.100113.4E98 R99 S104E98-Q102 VanDerWaalsContact O-CG 3.3Å; E98-Q102 WeakPolarHBondContact O-CG 3.44Å; E98-Q102 PolarHBondContact O-N 2.91Å; E98-Q102 PolarHBondContact OE1-NE2 2.98Å; R99-Q102 PolarHBondContact O-N 3.35Å; Q102-S104 VanDerWaalsContact C-N 3.28Å; Q102-S104 PolarHBondContact O-N 3.45Å
103T48Very low61.4Low106 Ų106114.9 Ų114.965%0.6562%0.623SS**Hα-helixtrans-71.6-18.9179.7-162.10000114.1R99 S107R99-T103 WeakPolarHBondContact O-CB 3.43Å; R99-T103 WeakPolarHBondContact O-CG2 3.47Å; R99-T103 PolarHBondContact O-N 3.47Å; T103-S107 PolarHBondContact O-OG 3.15Å
104S49.5Very low59.1Low69 Ų69115.1 Ų115.148%0.48364%0.644SS.*Hα-helixtrans-97.1-26.7-177.852.60000114.3G100 L101 Q102G100-S104 PolarHBondContact O-OG 3.25Å; G100-S104 VanDerWaalsContact O-OG 3.04Å; L101-S104 PolarHBondContact O-OG 3.07Å; Q102-S104 VanDerWaalsContact C-N 3.28Å; Q102-S104 PolarHBondContact O-N 3.45Å
105R48.7Very low57.2Low196 Ų196113.4 Ų113.474%0.7466%0.656SS**Hα-helixtrans-86-20.9-176-76.6-173.3168.9-174-1.6115.4S107R105-S107 VanDerWaalsContact C-N 3.33Å
106C44.9Very low55.2Low110 Ų110118.3 Ų118.374%0.74368%0.682SS**G310 helixtrans-83.5-8.6177.8-64.70000113.7S108C106-S108 VanDerWaalsContact C-N 3.33Å; C106-S108 PolarHBondContact O-N 3.48Å
107S53.6Low53.2Low96 Ų96118 Ų11867%0.67169%0.688SS**G310 helixtrans-83.7-1.2-175.9-52.20000114.8T103 R105T103-S107 PolarHBondContact O-OG 3.15Å; R105-S107 VanDerWaalsContact C-N 3.33Å
108S53.4Low51.1Low97 Ų97119.3 Ų119.368%0.67870%0.703SS**G310 helixtrans-136.616.7-176-59.10000114.9C106C106-S108 VanDerWaalsContact C-N 3.33Å; C106-S108 PolarHBondContact O-N 3.48Å
109L48.1Very low49.9Very low168 Ų168122 Ų12288%0.8872%0.719SS**THydrogen-bonded Turntrans-97.227.7177.3-136.387.6000114.7
110S47.9Very low49Very low125 Ų125121.5 Ų121.587%0.87472%0.724SS**THydrogen-bonded Turntrans-120.125.9160.9-1600000111.3S112S110-S112 PolarHBondContact O-N 2.88Å
111G49.4Very low47.9Very low60 Ų60127.7 Ų127.762%0.61974%0.742SS**  trans-81.487.7172.500000111.8
112S53.5Low46.9Very low108 Ų108131 Ų13176%0.75576%0.755SS**  trans58.5104151.1-53.60000119.1S110S110-S112 PolarHBondContact O-N 2.88Å
113L55.1Low46.1Very low174 Ų174131.8 Ų131.891%0.91177%0.767SS**  trans-162.889.5131.3-82.8-161000110.6
114S40.6Very low46.3Very low128 Ų128132.3 Ų132.390%0.89577%0.772SS**  trans174.281.4148.4-82.10000112
115S52.4Low45.8Very low123 Ų123134.1 Ų134.186%0.8679%0.785SS**  trans-142.691150.6-176.30000106.8
116L44.4Very low45.2Very low162 Ų162132.5 Ų132.585%0.84879%0.788SS**  trans-151.9122.9178.3-155.8128000111.4
117V44.7Very low44.8Very low128 Ų128132.3 Ų132.378%0.77679%0.787SS**  trans66.196.3166.5176.40000116.4
118T39.7Very low44.6Very low131 Ų131132.7 Ų132.780%0.80479%0.788SS**  trans-60.6148152.445.60000111.9E120T118-E120 PolarHBondContact O-N 3.16Å
119I44.6Very low43.7Very low157 Ų157134.3 Ų134.381%0.80580%0.798SS**  trans-54.2125.6169.9-71.4163.4000111.6
120E43.3Very low43.3Very low166 Ų166137.3 Ų137.378%0.77680%0.797SS**  36.6129.9129.5-147.4152.3-169.100121.7T118T118-E120 PolarHBondContact O-N 3.16Å
121E37.4Very low42.4Very low169 Ų169137.8 Ų137.879%0.7980%0.799SS**  trans66.7103.6155.1-76.1-165.9143.800123.5
122H32.4Very low41.8Very low164 Ų164139.8 Ų139.876%0.75980%0.799SS**  82.4103117.8-143.4-77.2000120.6
123V36.3Very low40.8Very low131 Ų131143.5 Ų143.579%0.79480%0.804SS**  -179.6135.1122147.90000109.2
124P53.3Low39.9Very low116 Ų116146.5 Ų146.575%0.75380%0.804SS**  trans-91.1142.6-171.734.3-35.2000114.6
125S38.3Very low40Very low107 Ų107145.2 Ų145.275%0.74879%0.792SS**  trans-153.4120.1165.3-167.40000113.6
126M34.9Very low38.9Very low163 Ų163148.3 Ų148.380%0.80379%0.793SS**  trans5287.6152.3-56.4-64.196.500120.7
127S36.6Very low38.2Very low105 Ų105145.9 Ų145.973%0.73479%0.79SS**  34.7155.1105.6-143.10000121
128P50.4Low37.6Very low105 Ų105144.8 Ų144.868%0.68279%0.787SS**  -135.5177.8-57.241.3-26.7000112.1
129C34.5Very low37.5Very low131 Ų131147.7 Ų147.789%0.88579%0.792SS**  175156.5128.4-980000112.9
130R38.8Very low37.2Very low231 Ų231148.4 Ų148.487%0.87279%0.792SS**  trans-90.7149.3-164.7-66.3177.6170.6176.5-4.2114V132R130-V132 HydrophobicContact CB-CG2 4.24Å
131C30.7Very low37Very low134 Ų134147.1 Ų147.191%0.90579%0.79SS**  trans-76.9128.4153.6-56.70000109.8
132V37Very low37Very low102 Ų102148.3 Ų148.362%0.61880%0.796SS**  trans-141.9119168.7177.10000109.1R130R130-V132 HydrophobicContact CB-CG2 4.24Å
133E32.3Very low37.5Very low186 Ų186149.2 Ų149.287%0.86981%0.805SS**  trans58.5135.3150.6-64.3166.8174.700123.3
134R35.2Very low37.7Very low238 Ų238151.5 Ų151.590%0.89881%0.807SS**  trans-97.5168.2151-122-170-156.1148.77.4106.6
135P42.4Very low37Very low100 Ų100157.1 Ų157.165%0.64981%0.814SS**  cis-145.9-176.713.638.5-16.2000117.4
136Q30.3Very low37Very low188 Ų188160.2 Ų160.288%0.87982%0.821SS**  trans68.1133.2164.7-46.7-166.3-69.700116
137S29.5Very low37.2Very low112 Ų112159.4 Ų159.478%0.78383%0.825SS**  cis-163.5162.545.452.90000113.2
138S31.8Very low37.2Very low104 Ų104162.7 Ų162.773%0.72783%0.829SS**  trans40107.6148.5-176.90000120.2
139E37.4Very low36.5Very low193 Ų193165.2 Ų165.290%0.90284%0.835SS**  -147.7136.1115.5-76.8-148.5138.500109.9
140E38Very low36.6Very low172 Ų172164.7 Ų164.780%0.80483%0.833SS**  trans-97176.2-179.7-61.9176.7135.900111.2
141N40.3Very low36.4Very low138 Ų138162.7 Ų162.774%0.73883%0.834SS**  trans72.361165.5-63.3-55.3000119.9
142Q37.8Very low37Very low195 Ų195163.5 Ų163.591%0.91183%0.834SS**SBendtrans-135.117.5157.6-75.6-157.178.700116.7
143L42.5Very low36.8Very low182 Ų182165.3 Ų165.395%0.95384%0.84SS**SBendtrans-129.852.7174.2-76.9177.7000113.7
144Q40.8Very low36.8Very low180 Ų180165.9 Ų165.984%0.84183%0.834SS**SBendtrans-147.839.6170.3-150161.216.600113
145R37.7Very low36.7Very low234 Ų234161.7 Ų161.788%0.88383%0.825SS**  trans-149.638.3-175.6-146.4-177.7-171-172.63116.8
146L38.1Very low36.6Very low171 Ų171164.3 Ų164.390%0.89583%0.833SS**SBendtrans-141.547.1169.6-74.5179.5000112.4
147T40.2Very low37.4Very low146 Ų146161 Ų16190%0.89683%0.829SS**SBendtrans-139.412.7174.3-40.50000113.1
148E34.8Very low37.8Very low175 Ų175161.5 Ų161.582%0.81883%0.827SS**  trans-148133.2173.3-96.2178.7135.800103.9
149I37.5Very low38.1Very low157 Ų157162.8 Ų162.881%0.80583%0.832SS**  cis-142.8136.926.3-48.991.3000109.6
150S34.6Very low37.9Very low121 Ų121157.5 Ų157.585%0.84682%0.822SS**  trans-161.765.6148.369.30000113
151E36.3Very low37.5Very low189 Ų189157.6 Ų157.688%0.88382%0.82SS**  trans-83.8117.3155.2-76.1-170.713700109.2
152V41.8Very low36.9Very low151 Ų151159.5 Ų159.592%0.91583%0.829SS**  trans-129.8138.1151.9172.60000107
153N32.7Very low36.7Very low139 Ų139157 Ų15774%0.74382%0.817SS**  trans-96.1167.5-155-146.7-35.3000112.1
154R32.7Very low36.1Very low199 Ų199153.4 Ų153.475%0.75180%0.799SS**  trans78137156.7-65.2-176.6112.592.315.7119.3
155E34.4Very low35.9Very low149 Ų149153.2 Ų153.270%0.69680%0.803SS**  cis-144.1161.4-12-55.1-156.6150.300110.7
156D39.9Very low35.7Very low155 Ų155150.8 Ų150.883%0.82979%0.794SS**  trans-67.2160.6170.4-87.9-53.3000113.2
157P46.6Very low35.5Very low120 Ų120150.7 Ų150.778%0.77979%0.793SS**  -143145.3102.736.5-22.2000116.8
158T37.4Very low34.9Very low122 Ų122150.1 Ų150.175%0.74879%0.79SS**  trans-51.3143.2165.8-39.90000114.4
159P39.1Very low35Very low130 Ų130145.9 Ų145.984%0.84479%0.785SS**  trans-106.1103.4158.934.1-24.5000111.3
160A32.8Very low34.7Very low82 Ų82146.5 Ų146.568%0.67879%0.79SS**  trans-113.5134.3161.500000109.2
161F29.6Very low34.7Very low175 Ų175147.7 Ų147.777%0.76879%0.792SS**  trans62.2117.3168.8-90.9-118.3000118.6Q163F161-Q163 HydrophobicContact CD1-CG 4.01Å; F161-Q163 HydrophobicContact CE1-CG 4.04Å
162L27.6Very low34.9Very low178 Ų178147.8 Ų147.893%0.93279%0.79SS**  trans-132.499.3140.7-106.3172.3000109.1
163Q33.7Very low34.9Very low141 Ų141146 Ų14666%0.65978%0.781SS**  trans-83.9172.6155.8-66.7-174.4-2.800108.9F161F161-Q163 HydrophobicContact CD1-CG 4.01Å; F161-Q163 HydrophobicContact CE1-CG 4.04Å
164D30.2Very low34.9Very low107 Ų107143.6 Ų143.657%0.57278%0.78SS**  trans80.974.8179.8-76.55.4000118R166D164-R166 IonicContact OD1-NH1 2.72Å; D164-R166 IonicContact OD2-CZ 2.74Å; D164-R166 IonicContact OD2-NH1 2.69Å; D164-R166 PolarHBondContact OD2-NH1 3.42Å
165L36.9Very low34.9Very low176 Ų176140.7 Ų140.792%0.92178%0.78SS**  trans-89.682.6132.5-8998.2000109.6
166R33Very low34.9Very low184 Ų184142.6 Ų142.669%0.69479%0.789SS**  trans-79.8113.4162.3-84.3-178.2161.9116.4-6.7109.2D164 T168D164-R166 IonicContact OD1-NH1 2.72Å; D164-R166 IonicContact OD2-CZ 2.74Å; D164-R166 IonicContact OD2-NH1 2.69Å; D164-R166 PolarHBondContact OD2-NH1 3.42Å; R166-T168 PolarHBondContact O-N 2.94Å; R166-T168 VanDerWaalsContact O-N 3.09Å
167L33.4Very low34.5Very low169 Ų169142.5 Ų142.589%0.88579%0.788SS**  trans-69.5102.5167.1-76.9100.1000109.9
168T29Very low35.2Very low134 Ų134142 Ų14282%0.82279%0.785SS**  trans-97.188.5168.955.10000110.5R166R166-T168 PolarHBondContact O-N 2.94Å; R166-T168 VanDerWaalsContact O-N 3.09Å
169A35.4Very low35.8Very low86 Ų86141.2 Ų141.271%0.71178%0.782SS**  trans-117.994.4167.400000109.2
170N31.3Very low35.4Very low169 Ų169145.9 Ų145.990%0.90478%0.783SS**  trans-163.388.7161.5-103.4-34.8000110.2
171T35Very low35.3Very low146 Ų146145.2 Ų145.290%0.89678%0.777SS**  trans-87.4128.416533.40000109.4
172K39.5Very low35.4Very low192 Ų192144.4 Ų144.484%0.83578%0.776SS**  trans-128136.7170.4-175.7179.6-177.6-178.60109.1
173P43.5Very low35.6Very low113 Ų113141.5 Ų141.573%0.73477%0.766SS**  trans-121.1143.8136.52.618.2000112
174A31.3Very low35.6Very low88 Ų88139 Ų13973%0.72776%0.764SS**  24.314712200000120
175D32.7Very low35.7Very low139 Ų139141.6 Ų141.674%0.74377%0.773SS**  cis-170.9143.6-9.917921.7000106.6
176Q34.2Very low35.5Very low189 Ų189139.8 Ų139.888%0.88376%0.763SS**  trans166.1143.1160.4-97.5155.5104.800113
177N31.5Very low35.4Very low153 Ų153138.7 Ų138.782%0.81877%0.766SS**  trans-157.6167.3179.1-112-34.1000107.1
178P61.5Low35.4Very low108 Ų108135.2 Ų135.270%0.70176%0.755SS**  cis-124.6-144-30.140-19.8000108.3
179P50.3Low36.1Very low107 Ų107134.9 Ų134.970%0.69576%0.756SS**  cis-145.7157.145.340.2-19.2000119
180R30.7Very low36Very low227 Ų227136.1 Ų136.186%0.85776%0.759SS**  trans63.1153.3149.6-80.7-177.3171.5-129.21.6118.7E182R180-E182 IonicContact NH1-OE1 3.88Å
181A32Very low35.8Very low69 Ų69137.1 Ų137.157%0.5776%0.759SS**  cis-149.7155.510.600000113
182E31.8Very low35.6Very low157 Ų157134.1 Ų134.173%0.73474%0.744SS**  trans60.9140134.9-72.8160-136.100120.2R180R180-E182 IonicContact NH1-OE1 3.88Å
183T31.3Very low35.3Very low118 Ų118132.4 Ų132.472%0.72474%0.742SS**  cis-154.51531531.40000113
184S33.5Very low34.7Very low88 Ų88135.3 Ų135.362%0.61575%0.746SS**  trans60119.2142.4-65.40000121
185E32.1Very low34.6Very low162 Ų162137.3 Ų137.376%0.75775%0.748SS**  71.613774.8-73.8-179.2120.900113
186L33.4Very low34.5Very low137 Ų137137.9 Ų137.972%0.71775%0.746SS**  cis-153.1-175.7-3.1-92.7156.2000105.7
187Q29.1Very low34.3Very low162 Ų162133.2 Ų133.276%0.75774%0.735SS**  cis-158.6169.29.9-145.2168.7-56.800110.3
188S33.7Very low34.4Very low95 Ų95134.5 Ų134.566%0.66473%0.73SS**  trans-111.2166.8153.9-570000110
189P43.8Very low32.9Very low128 Ų128134 Ų13483%0.83173%0.734SS**  -140164.111537.1-25.4000114.7
190S33.1Very low32Very low112 Ų112137.9 Ų137.978%0.78374%0.743SS**  trans-114.7144.2-179.5-44.60000111.1
191E28.4Very low32.1Very low190 Ų190131.2 Ų131.289%0.88874%0.737SS**  trans-159.3152.3158.8-90.3-170.2158.200108.9
192S30.1Very low32.6Very low83 Ų83133.6 Ų133.658%0.5875%0.747SS**  cis-170.9122.1-33.946.90000112
193I33Very low33.2Very low156 Ų156134.1 Ų134.180%0.875%0.753SS**  trans74.6142.7134.6-55.2165.7000121.3
194Q30.7Very low33.6Very low174 Ų174134.6 Ų134.681%0.81376%0.759SS**  trans87.2112.2173.6-44.7-149.273.200116.4
195V30.4Very low33.5Very low129 Ų129135 Ų13578%0.78277%0.767SS**  cis79.59326.9-168.80000115.6
196E29Very low33.6Very low151 Ų151131.4 Ų131.471%0.70677%0.766SS**  -160.1121.9127.1-101.2-179.9108.300105.9Y198E196-Y198 PolarHBondContact OE1-OH 3.18Å
197S31.1Very low33.5Very low92 Ų92132.4 Ų132.464%0.64377%0.772SS**  59.8130.980.9-141.50000111.6
198Y33.3Very low33.5Very low179 Ų179129.6 Ų129.670%0.70277%0.77SS**  cis-152.8145.339.4-28.7-90.3000113.6E196E196-Y198 PolarHBondContact OE1-OH 3.18Å
199A31.1Very low33.6Very low97 Ų97131.9 Ų131.980%0.80277%0.774SS**  trans35.491.9148.800000123.9
200Q30.1Very low32.9Very low189 Ų189132.3 Ų132.388%0.88377%0.769SS**  27.6104.6107.6-163.4169.813.800122.4
201A33.2Very low32.8Very low88 Ų88131.7 Ų131.773%0.72777%0.765SS**  trans55-179.7136.900000120.6
202P42.8Very low33Very low119 Ų119127 Ų12777%0.77376%0.758SS**  cis-129.3-176.7-1441.3-24.6000114.9
203L43.7Very low33.2Very low167 Ų167130.3 Ų130.387%0.87477%0.77SS**  trans-76.5154.6160.7-64.3171.2000111.6
204P39.9Very low33.5Very low129 Ų129129 Ų12984%0.83877%0.769SS**  trans-139.2175.8138.237.3-23.1000114.5
205A31.4Very low34.1Very low96 Ų96126.5 Ų126.579%0.79377%0.768SS**  trans-113.8171-169.200000114.7
206A34.8Very low34Very low87 Ų87129.4 Ų129.472%0.71977%0.77SS**  trans69128.5153.400000121.3
207N31.5Very low34.4Very low158 Ų158127.3 Ų127.385%0.84577%0.772SS**  trans166.4116.1135.9-81.4-26.5000107.5
208S29.5Very low34.2Very low102 Ų102132 Ų13271%0.71378%0.784SS**  82.9107.868.1-168.50000114.2
209L35Very low34.5Very low143 Ų143128.4 Ų128.475%0.74979%0.791SS**  179.9156.8118.1-119.287.2000113.9
210D28Very low34.6Very low137 Ų137131.8 Ų131.873%0.73380%0.795SS**  trans63.4148.7155.7-78.6-25.6000122.3
211S32.2Very low35.1Very low100 Ų100130.6 Ų130.670%0.69979%0.789SS**  cis-173.8154.5-27-113.10000109.9
212A32.8Very low35.1Very low90 Ų90134.3 Ų134.374%0.74480%0.796SS**  trans56.2131.5167.300000117.5
213D33.4Very low34.5Very low154 Ų154132.1 Ų132.182%0.82480%0.795SS**  cis-163.7159.447.1-116.7-28.7000111.9
214T38.8Very low34.6Very low129 Ų129129.8 Ų129.879%0.79179%0.792SS**  trans-133.114616256.30000110
215P43.9Very low34.5Very low121 Ų121127.2 Ų127.279%0.78678%0.782SS**  trans-138.4124.7132.532.6-18.2000114.6
216K29Very low35Very low190 Ų190133.4 Ų133.483%0.82679%0.785SS**  58.189.7117.7-156.8171.6-173.5176.60118.9
217S36.2Very low35.4Very low106 Ų106137.5 Ų137.574%0.74179%0.786SS**  trans27.7119.5131.162.90000120.2
218E27.9Very low36.3Very low192 Ų192136.5 Ų136.590%0.89778%0.777SS**  trans-132.5136.8143.6-99.3-176.7174.100109.8
219A39.1Very low37.4Very low103 Ų103139 Ų13985%0.85178%0.781SS**  trans-102.1127.8174.200000109
220L34.3Very low38.4Very low168 Ų168141.7 Ų141.788%0.8878%0.781SS**  trans-131.8114.2170.7-109.5163.9000110
221E39.1Very low39.7Very low163 Ų163140.5 Ų140.576%0.76277%0.774SS**  trans-69.5172.2174.5-102.8-73171.200112.7
222L33.8Very low41.1Very low167 Ų167137.5 Ų137.587%0.87476%0.759SS**  trans71.2111.3173.5-65.2125.2000118.5
223G30.3Very low43Very low73 Ų73135.2 Ų135.275%0.75374%0.74SS**  trans17589.9159.200000113.6A225G223-A225 PolarHBondContact O-N 3.33Å
224S46.6Very low44.9Very low118 Ų118131.9 Ų131.983%0.82572%0.72SS**  trans-63.392.4179.4-170.30000112R226S224-R226 PolarHBondContact O-N 3.04Å
225A36.9Very low46.7Very low74 Ų74129.6 Ų129.661%0.61271%0.706SS**  trans-75.657.5179.700000112.5G223 F227G223-A225 PolarHBondContact O-N 3.33Å; A225-F227 HydrophobicContact CB-CD2 3.96Å; A225-F227 HydrophobicContact CB-CE2 3.78Å; A225-F227 WeakPolarHBondContact O-CD2 3.44Å; A225-F227 PolarHBondContact O-N 3.46Å
226R42.9Very low48.3Very low227 Ų227128.8 Ų128.886%0.85769%0.694SS**  trans-75.966.2178.4-164.9179.4-170.7171.24.3110.7S224 H228S224-R226 PolarHBondContact O-N 3.04Å; R226-H228 PolarHBondContact O-N 3.13Å
227F41.6Very low50.4Low172 Ų172124.9 Ų124.975%0.75468%0.677SS**  trans-65.396.1-175.8-78.9-73.3000113.1A225 I229A225-F227 HydrophobicContact CB-CD2 3.96Å; A225-F227 HydrophobicContact CB-CE2 3.78Å; A225-F227 WeakPolarHBondContact O-CD2 3.44Å; A225-F227 PolarHBondContact O-N 3.46Å; F227-I229 PolarHBondContact O-N 3.36Å; F227-I229 VanDerWaalsContact O-N 3.09Å
228H50.4Low52.2Low138 Ų138126.6 Ų126.664%0.63967%0.667SS**  trans42.648.5141.2-70.5-79.5000121.1R226 R230R226-H228 PolarHBondContact O-N 3.13Å; H228-R230 PolarHBondContact O-N 3.49Å; H228-R230 VanDerWaalsContact O-N 3.08Å
229I53.1Low54.4Low155 Ų155120.2 Ų120.280%0.79565%0.647SS**THydrogen-bonded Turntrans-58.3-18.3159.6-61.9171.8000112.1F227 N231 G232F227-I229 PolarHBondContact O-N 3.36Å; F227-I229 VanDerWaalsContact O-N 3.09Å; I229-N231 VanDerWaalsContact C-N 3.26Å; I229-N231 PolarHBondContact O-N 3.23Å; I229-N231 VanDerWaalsContact O-N 3.16Å; I229-G232 PolarHBondContact O-N 3.38Å
230R55.4Low56.3Low199 Ų199120.2 Ų120.275%0.75163%0.632SS**Hα-helixtrans-56-31.3-178.1-164.5177.7-174.2-167.11.9114.4H228H228-R230 PolarHBondContact O-N 3.49Å; H228-R230 VanDerWaalsContact O-N 3.08Å
231N56.8Low58.1Low111 Ų111118 Ų11859%0.59462%0.62SS**Hα-helixtrans-77.1-35.9-175-71.620000112.6I229 A233 E234 T235I229-N231 VanDerWaalsContact C-N 3.26Å; I229-N231 PolarHBondContact O-N 3.23Å; I229-N231 VanDerWaalsContact O-N 3.16Å; N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.14Å; N231-E234 PolarHBondContact O-N 3.13Å; N231-T235 PolarHBondContact O-N 2.9Å; N231-T235 PolarHBondContact O-OG1 2.88Å
232G61.8Low59.5Low38 Ų38119.1 Ų119.139%0.39262%0.618SS.*Hα-helixtrans-61.7-39.6176.300000112.2I229 E234 T235 I236I229-G232 PolarHBondContact O-N 3.38Å; G232-E234 PolarHBondContact O-N 3.34Å; G232-T235 PolarHBondContact O-N 3.23Å; G232-I236 WeakPolarHBondContact O-CG1 3.4Å; G232-I236 PolarHBondContact O-N 3.22Å
233A70.9Confident60.9Low42 Ų42114.2 Ų114.235%0.34760%0.597SS.*Hα-helixtrans-59.2-40.9178.600000113.2N231 I236 K237N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.14Å; A233-I236 PolarHBondContact O-N 3.14Å; A233-K237 WeakPolarHBondContact O-CB 3.35Å; A233-K237 VanDerWaalsContact O-CG 3.24Å; A233-K237 WeakPolarHBondContact O-CG 3.14Å; A233-K237 PolarHBondContact O-N 2.7Å
234E74.3Confident62.4Low84 Ų84114.1 Ų114.139%0.39359%0.585SS.*Hα-helixtrans-74.9-27.3178-62.1-52142.500113N231 G232 K237 R238N231-E234 PolarHBondContact O-N 3.13Å; G232-E234 PolarHBondContact O-N 3.34Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 3.17Å; E234-K237 VanDerWaalsContact OE2-CD 3.23Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.71Å; E234-R238 WeakPolarHBondContact O-CB 3.43Å; E234-R238 WeakPolarHBondContact O-CG 3.41Å; E234-R238 PolarHBondContact O-N 2.85Å; E234-R238 PolarHBondContact O-NE 3.46Å
235T77.1Confident62.9Low80 Ų80117.9 Ų117.949%0.49158%0.581SS.*Hα-helixtrans-69.5-44170.6-63.20000111.2N231 G232 R238 A239N231-T235 PolarHBondContact O-N 2.9Å; N231-T235 PolarHBondContact O-OG1 2.88Å; G232-T235 PolarHBondContact O-N 3.23Å; T235-R238 PolarHBondContact O-N 2.97Å; T235-R238 PolarHBondContact OG1-NH2 3.23Å; T235-A239 PolarHBondContact O-N 3.17Å
236I76.1Confident63.9Low105 Ų105124.3 Ų124.354%0.53859%0.59SS.*Hα-helixtrans-61.6-47.3174.2-66.3163.7000110.9G232 A233 R238 A239 L240G232-I236 WeakPolarHBondContact O-CG1 3.4Å; G232-I236 PolarHBondContact O-N 3.22Å; A233-I236 PolarHBondContact O-N 3.14Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.14Å; I236-A239 PolarHBondContact O-N 3.3Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.36Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.2Å
237K73.8Confident64.5Low107 Ų107121 Ų12147%0.46558%0.582SS.*Hα-helixtrans-57-43.8175.3-75.1166.8-180-179.50112.4A233 E234 L240 L241A233-K237 WeakPolarHBondContact O-CB 3.35Å; A233-K237 VanDerWaalsContact O-CG 3.24Å; A233-K237 WeakPolarHBondContact O-CG 3.14Å; A233-K237 PolarHBondContact O-N 2.7Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 3.17Å; E234-K237 VanDerWaalsContact OE2-CD 3.23Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.71Å; K237-L240 PolarHBondContact O-N 3.41Å; K237-L241 PolarHBondContact O-N 2.89Å
238R74.8Confident65.1Low143 Ų143119.5 Ų119.554%0.5458%0.577SS.*Hα-helixtrans-65.6-38177.6-75.6177.3-66.6-178.36.2112.4E234 T235 I236 R242E234-R238 WeakPolarHBondContact O-CB 3.43Å; E234-R238 WeakPolarHBondContact O-CG 3.41Å; E234-R238 PolarHBondContact O-N 2.85Å; E234-R238 PolarHBondContact O-NE 3.46Å; T235-R238 PolarHBondContact O-N 2.97Å; T235-R238 PolarHBondContact OG1-NH2 3.23Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.14Å; R238-R242 WeakPolarHBondContact O-CG 3.49Å; R238-R242 PolarHBondContact O-N 3.25Å
239A73.8Confident65Low57 Ų57120 Ų12047%0.47158%0.583SS.*Hα-helixtrans-65.3-46.2173.700000111.8T235 I236 L241 R242 S243T235-A239 PolarHBondContact O-N 3.17Å; I236-A239 PolarHBondContact O-N 3.3Å; A239-L241 PolarHBondContact O-N 3.49Å; A239-R242 PolarHBondContact O-N 3.43Å; A239-S243 PolarHBondContact O-N 2.87Å
240L77.4Confident64.6Low104 Ų104121.3 Ų121.355%0.54558%0.583SS.*Hα-helixtrans-62.5-42.1177.6-71.3170.3000112.5I236 K237 R242 S243 S244I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.36Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.2Å; K237-L240 PolarHBondContact O-N 3.41Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 2.88Å; L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.92Å; L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 PolarHBondContact O-OG 3.14Å
241L73.4Confident63.9Low120 Ų120114.9 Ų114.963%0.62857%0.573SS**Hα-helixtrans-61.3-39.3175-108.670000112.6K237 A239 R245K237-L241 PolarHBondContact O-N 2.89Å; A239-L241 PolarHBondContact O-N 3.49Å; L241-R245 PolarHBondContact O-N 3.45Å
242R67.7Low63.2Low188 Ų188113.7 Ų113.771%0.70958%0.578SS**Hα-helixtrans-66.4-37.2175.2-73.7171.6174.1164.7-3.3111.7R238 A239 L240R238-R242 WeakPolarHBondContact O-CG 3.49Å; R238-R242 PolarHBondContact O-N 3.25Å; A239-R242 PolarHBondContact O-N 3.43Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 2.88Å
243S64.3Low62.4Low63 Ų63116.7 Ų116.744%0.44159%0.593SS.*Hα-helixtrans-65.7-48.9174.8-173.90000112.3A239 L240 R245 R246 K247A239-S243 PolarHBondContact O-N 2.87Å; L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.92Å; S243-R245 VanDerWaalsContact C-N 3.3Å; S243-R245 PolarHBondContact O-N 3.31Å; S243-R246 WeakPolarHBondContact O-CB 3.29Å; S243-R246 PolarHBondContact O-N 3.35Å; S243-K247 PolarHBondContact O-N 2.91Å
244S61.3Low61.4Low72 Ų72123.4 Ų123.450%0.50362%0.617SS.*Hα-helixtrans-60.4-34.6-179.9-71.10000113.7L240 R246 K247 Q248L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 PolarHBondContact O-OG 3.14Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.37Å; S244-K247 PolarHBondContact O-N 2.99Å; S244-Q248 PolarHBondContact O-N 3.37Å
245R57.6Low59.6Low197 Ų197126.9 Ų126.974%0.74364%0.639SS**Hα-helixtrans-62.9-28.9174.8-74.5-171.6-178.8-158.70.6113.4L241 S243L241-R245 PolarHBondContact O-N 3.45Å; S243-R245 VanDerWaalsContact C-N 3.3Å; S243-R245 PolarHBondContact O-N 3.31Å
246R57.3Low57.6Low209 Ų209128.1 Ų128.179%0.78966%0.657SS**Hα-helixtrans-76-28.8175.3-65.6-175.4179.9-178.7-0.1112.8S243 S244S243-R246 WeakPolarHBondContact O-CB 3.29Å; S243-R246 PolarHBondContact O-N 3.35Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.37Å
247K55.9Low55.4Low158 Ų158126.8 Ų126.869%0.68767%0.669SS**Hα-helixtrans-72.5-40.3174.8-70.5-171.2175.1-174.70112.4S243 S244 L249 K250 A251S243-K247 PolarHBondContact O-N 2.91Å; S244-K247 PolarHBondContact O-N 2.99Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.01Å; K247-K250 PolarHBondContact O-N 3.39Å; K247-K250 VanDerWaalsContact O-N 3.08Å; K247-A251 PolarHBondContact O-N 3.32Å
248Q52.9Low53.5Low140 Ų140129 Ų12965%0.65468%0.681SS**Hα-helixtrans-62-37-179.7-68.9-7229.400113.4S244 K250 A251 A252S244-Q248 PolarHBondContact O-N 3.37Å; Q248-K250 PolarHBondContact O-N 3.03Å; Q248-A251 PolarHBondContact O-N 2.95Å; Q248-A252 PolarHBondContact O-N 2.78Å
249L48.6Very low51.6Low148 Ų148129.6 Ų129.678%0.77569%0.687SS**Hα-helixtrans-70.2-13176.8-70.7173.2000114.1K247K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.01Å
250K44.8Very low49.5Very low183 Ų183135 Ų13580%0.79671%0.708SS**Hα-helixtrans-103.4-11.9175.6-164.5159.3-177.4172.80113.5K247 Q248K247-K250 PolarHBondContact O-N 3.39Å; K247-K250 VanDerWaalsContact O-N 3.08Å; Q248-K250 PolarHBondContact O-N 3.03Å
251A40.5Very low47.4Very low64 Ų64135.2 Ų135.253%0.52972%0.718SS.*Hα-helixtrans-85.9-26.4172.200000112.9K247 Q248 S253K247-A251 PolarHBondContact O-N 3.32Å; Q248-A251 PolarHBondContact O-N 2.95Å; A251-S253 PolarHBondContact O-N 3.49Å
252A42Very low45.2Very low86 Ų86138.2 Ų138.271%0.71173%0.729SS**THydrogen-bonded Turntrans-75.723.6-177.500000115.3Q248Q248-A252 PolarHBondContact O-N 2.78Å
253S46.9Very low43.5Very low100 Ų100140.9 Ų140.970%0.69974%0.74SS**THydrogen-bonded Turntrans-137.88.1178.7-55.70000114.6A251A251-S253 PolarHBondContact O-N 3.49Å
254Q49.4Very low42.3Very low184 Ų184143.3 Ų143.386%0.8675%0.753SS**SBendtrans-143.264.2171.7-72.3-170.8-72.400111.4
255D35.9Very low40.6Very low157 Ų157145.3 Ų145.384%0.8476%0.763SS**  trans-157.1110.4148.4-165.89.5000111.3
256A35.1Very low39.5Very low106 Ų106143.8 Ų143.888%0.87676%0.764SS**  trans-171.2104.3164.600000110.2
257G29.6Very low38.2Very low76 Ų76142.5 Ų142.578%0.78477%0.767SS**  trans147.174.5158.500000117.5
258E34.1Very low36.8Very low155 Ų155141 Ų14172%0.72478%0.777SS**  trans-100.5131.9148.6-95.3-148.1133.300110.7
259K35.6Very low35.8Very low154 Ų154141.4 Ų141.467%0.6778%0.782SS**  trans63.3112.9152.8-61.9159.5-174.2147.20118.2
260N28.9Very low34.9Very low171 Ų171139.4 Ų139.491%0.91478%0.781SS**  -167.7170.1107.4-91.2-27.8000112.7
261S32.9Very low34.1Very low108 Ų108136.2 Ų136.276%0.75578%0.776SS**  trans-84.5178.9-165.5-165.90000114.7
262E28.9Very low33.7Very low184 Ų184141.6 Ų141.686%0.8679%0.788SS**  trans84.4111160-58-179.6162.100119.5
263R30.2Very low33.1Very low244 Ų244143 Ų14392%0.92178%0.784SS**  trans-89.8167.9145.2-72.1-178.1176.9170.9-0.4107.8
264P40.2Very low32.3Very low113 Ų113145.7 Ų145.773%0.73478%0.779SS**  cis-137.4178.611.937.3-17.6000115.9
265T26.3Very low31.5Very low115 Ų115145.7 Ų145.771%0.70678%0.779SS**  146.9107.4127.4-61.20000114
266Q33.8Very low31.3Very low165 Ų165143.9 Ų143.977%0.77177%0.765SS**  trans43153.5142.1-56.2-173.3-14.100124.2
267Q29.7Very low31.4Very low182 Ų182145.3 Ų145.385%0.8576%0.763SS**  trans76.8135.6168.1-45.9-177.614.900113.9
268S27.3Very low31.6Very low126 Ų126149.3 Ų149.388%0.88176%0.758SS**  cis-135.9174.319.1-167.50000113.6
269L30.2Very low31.6Very low148 Ų148148.4 Ų148.478%0.77576%0.758SS**  trans-123.7124.4-166.7-180165.3000111.5V271L269-V271 HydrophobicContact CD2-CG2 4.33Å
270S31.1Very low31.9Very low106 Ų106149.4 Ų149.474%0.74177%0.766SS**  trans-173.5120.9159.3510000109.4
271V27.9Very low32.3Very low116 Ų116148.8 Ų148.870%0.70376%0.762SS**  59.812070.2177.40000109.6L269L269-V271 HydrophobicContact CD2-CG2 4.33Å
272F31.4Very low32.5Very low178 Ų178153.1 Ų153.178%0.78177%0.771SS**  cis-165.2169.110.1-128.1-162.1000108.1
273N30Very low33.1Very low114 Ų114150.2 Ų150.261%0.6177%0.77SS**  cis-159166.1-4.1-154.55000113.3
274R30.5Very low33.3Very low158 Ų158144.4 Ų144.460%0.59677%0.767SS**  trans-13.4137.8153.6-178.3-171.7-115.8-89.3-4121.1E276R274-E276 IonicContact CZ-OE1 3.09Å; R274-E276 IonicContact CZ-OE2 3.36Å; R274-E276 VanDerWaalsContact NH1-CD 3.27Å; R274-E276 IonicContact NH1-OE1 3.78Å; R274-E276 IonicContact NH1-OE2 2.69Å; R274-E276 PolarHBondContact NH1-OE2 3Å; R274-E276 IonicContact NH2-OE1 2.76Å; R274-E276 PolarHBondContact NH2-OE1 3.39Å; R274-E276 IonicContact NH2-OE2 2.75Å; R274-E276 PolarHBondContact NH2-OE2 2.91Å
275Q31.9Very low33.2Very low184 Ų184143.8 Ų143.886%0.8677%0.771SS**  trans-140.5118.2133.5-168.271.643.900109.5
276E32.8Very low33.4Very low119 Ų119142 Ų14256%0.55678%0.776SS**  trans-103.6142.5172.1-77.7171.1-173.900110R274R274-E276 IonicContact CZ-OE1 3.09Å; R274-E276 IonicContact CZ-OE2 3.36Å; R274-E276 VanDerWaalsContact NH1-CD 3.27Å; R274-E276 IonicContact NH1-OE1 3.78Å; R274-E276 IonicContact NH1-OE2 2.69Å; R274-E276 PolarHBondContact NH1-OE2 3Å; R274-E276 IonicContact NH2-OE1 2.76Å; R274-E276 PolarHBondContact NH2-OE1 3.39Å; R274-E276 IonicContact NH2-OE2 2.75Å; R274-E276 PolarHBondContact NH2-OE2 2.91Å
277V36.4Very low33.9Very low136 Ų136138 Ų13882%0.82478%0.78SS**  trans-150.195139.6-176.20000104.8
278K33.3Very low34.4Very low159 Ų159136.7 Ų136.769%0.69177%0.773SS**  73.3114.193.3-159.7-157.3172.2-141.60113.2E280K278-E280 IonicContact NZ-OE1 3.87Å; K278-E280 PolarHBondContact NZ-OE1 2.85Å
279D34.5Very low35.3Very low136 Ų136137.2 Ų137.273%0.72776%0.76SS**  trans-72.9157.4179.4-32.8-90.3000112.7
280E40.9Very low36.3Very low176 Ų176137.9 Ų137.982%0.82276%0.764SS**  trans-138.5127.8136.9-67-159170.300109.3K278K278-E280 IonicContact NZ-OE1 3.87Å; K278-E280 PolarHBondContact NZ-OE1 2.85Å
281D39Very low37.3Very low157 Ų157139.9 Ų139.984%0.8477%0.766SS**  trans-80.6136.9175.4-75.7-63.1000111
282E37.1Very low38.4Very low200 Ų200141.6 Ų141.694%0.93577%0.77SS**  trans-136120.7139.8-92-146.6131.100110.9
283S39.8Very low39Very low122 Ų122136.7 Ų136.785%0.85377%0.77SS**  trans-88.6123.7171.2170.20000109.3
284S34.9Very low39.6Very low123 Ų123141.2 Ų141.286%0.8678%0.78SS**  trans-136138.5160-167.90000110.8
285A38.2Very low40.6Very low99 Ų99138.9 Ų138.982%0.81878%0.779SS**  trans-87170.2-170.300000112.7
286G29.9Very low41.3Very low77 Ų77134.5 Ų134.579%0.79477%0.774SS**  trans132.795.4166.400000111.6
287G44.5Very low42.1Very low83 Ų83135.7 Ų135.786%0.85678%0.78SS**  trans-74.2132.4175.400000111.2
288E41.4Very low42.6Very low154 Ų154139.9 Ų139.972%0.7278%0.781SS**  trans-132.5108.2161-84.6-150.2133.200110.2
289K46.3Very low43.3Very low137 Ų137137 Ų13760%0.59678%0.781SS**  trans48.3112.414527.4-175170.5-168.40116.9L291K289-L291 PolarHBondContact O-N 3.48Å
290D49.9Very low43.9Very low162 Ų162140.6 Ų140.687%0.86678%0.784SS**  trans-56.379.6150.9-68-54.8000110.1L292D290-L292 PolarHBondContact O-N 3.17Å
291L52.3Low44.4Very low148 Ų148138.2 Ų138.278%0.77578%0.782SS**  trans-62105.8164.8-72.7169.3000106.3K289 G293K289-L291 PolarHBondContact O-N 3.48Å; L291-G293 PolarHBondContact O-N 3.09Å
292L52.4Low45Very low151 Ų151138.9 Ų138.979%0.79178%0.78SS**  trans-52.7106.8177.2-82.288.6000108.6D290 Y294D290-L292 PolarHBondContact O-N 3.17Å; L292-Y294 PolarHBondContact O-N 2.83Å
293G42.7Very low45.9Very low75 Ų75133.1 Ų133.177%0.77376%0.761SS**  trans-68.477.3-179.900000110.6L291 D295L291-G293 PolarHBondContact O-N 3.09Å; G293-D295 PolarHBondContact O-N 3.1Å
294Y42.9Very low46.7Very low210 Ų210136 Ų13682%0.82476%0.758SS**  trans-66.887158.6-97.4-82000107.7L292 A296L292-Y294 PolarHBondContact O-N 2.83Å; Y294-A296 PolarHBondContact O-N 2.83Å
295D51.9Low47.7Very low108 Ų108136.3 Ų136.358%0.57875%0.751SS**  trans-47101.6178.9-171.926.6000110.6G293 Q297G293-D295 PolarHBondContact O-N 3.1Å; D295-Q297 PolarHBondContact O-N 2.82Å; D295-Q297 VanDerWaalsContact OD1-CG 3.28Å; D295-Q297 WeakPolarHBondContact OD1-CG 3.47Å; D295-Q297 PolarHBondContact OD1-NE2 3.12Å; D295-Q297 PolarHBondContact OD2-NE2 2.93Å
296A46.4Very low48.7Very low92 Ų92138.7 Ų138.776%0.7675%0.75SS**  trans-76.636.4-172.400000112.9Y294 W298Y294-A296 PolarHBondContact O-N 2.83Å; A296-W298 PolarHBondContact O-N 3.11Å
297Q48.7Very low50Low144 Ų144140.2 Ų140.267%0.67374%0.743SS**  trans-7747.4179.6-73.1-179.341.100112.9D295 S299D295-Q297 PolarHBondContact O-N 2.82Å; D295-Q297 VanDerWaalsContact OD1-CG 3.28Å; D295-Q297 WeakPolarHBondContact OD1-CG 3.47Å; D295-Q297 PolarHBondContact OD1-NE2 3.12Å; D295-Q297 PolarHBondContact OD2-NE2 2.93Å; Q297-S299 PolarHBondContact O-N 2.86Å
298W47.4Very low50.6Low224 Ų224142.6 Ų142.685%0.84874%0.741SS**  trans-77.670.5162.6-71.881.4000109.5A296 W300A296-W298 PolarHBondContact O-N 3.11Å; W298-W300 PolarHBondContact O-N 3.12Å
299S49.1Very low51Low98 Ų98144.1 Ų144.169%0.68575%0.746SS**  trans-71111.6168.262.10000109.4Q297 V301Q297-S299 PolarHBondContact O-N 2.86Å; S299-V301 PolarHBondContact O-N 2.89Å; S299-V301 VanDerWaalsContact O-N 3.08Å
300W45.4Very low51.1Low213 Ų213149.6 Ų149.681%0.80778%0.78SS**  trans-65.2106.9166.6-68.690.4000108W298 E302W298-W300 PolarHBondContact O-N 3.12Å; W300-E302 PolarHBondContact O-N 3.47Å
301V51.5Low51.2Low126 Ų126149 Ų14976%0.76478%0.776SS**  trans-73.8108.3166.6178.30000106.5S299 S303S299-V301 PolarHBondContact O-N 2.89Å; S299-V301 VanDerWaalsContact O-N 3.08Å; V301-S303 PolarHBondContact O-N 3.11Å
302E52.1Low51.1Low171 Ų171149 Ų14980%0.79978%0.776SS**  trans-59.5101169.9-173.2177.3-145.800108.5W300 K304W300-E302 PolarHBondContact O-N 3.47Å; E302-K304 PolarHBondContact O-N 2.72Å
303S55.6Low51.1Low78 Ų78148.9 Ų148.955%0.54578%0.775SS.*  trans-69.6113.2176.7-174.70000108.3V301 D305V301-S303 PolarHBondContact O-N 3.11Å; S303-D305 PolarHBondContact O-N 3.09Å
304K57.4Low51.6Low182 Ų182153.2 Ų153.279%0.79178%0.775SS**THydrogen-bonded Turntrans-87.39.8-174.2-136.3172.5-172169.60113.9E302E302-K304 PolarHBondContact O-N 2.72Å
305D56Low52.1Low131 Ų131149.7 Ų149.770%0.70177%0.772SS**THydrogen-bonded Turntrans-96-8.9-165.6-70.8-26.4000114.5S303 V307S303-D305 PolarHBondContact O-N 3.09Å; D305-V307 VanDerWaalsContact C-N 3.3Å; D305-V307 PolarHBondContact O-N 2.69Å
306D57.9Low52.1Low149 Ų149152.5 Ų152.580%0.79779%0.785SS**SBendtrans-90.434.3-177.2-68.2-26.8000114.2
307V58.9Low52.5Low108 Ų108156.8 Ų156.866%0.65579%0.787SS**  trans-136.569.8169.1-165.20000111.5D305 F309D305-V307 VanDerWaalsContact C-N 3.3Å; D305-V307 PolarHBondContact O-N 2.69Å; V307-F309 HydrophobicContact CG1-CD2 3.78Å; V307-F309 HydrophobicContact CG1-CE2 3.49Å; V307-F309 VanDerWaalsContact CG1-CE2 3.49Å; V307-F309 HydrophobicContact CG1-CZ 4.47Å
308T55.9Low52.8Low133 Ų133157.8 Ų157.882%0.81680%0.796SS**  trans-113.595.4152.656.80000109.1
309F50.7Low53.3Low186 Ų186152.3 Ų152.382%0.81679%0.791SS**  trans-60.7131.4163.7-67.6-89.2000109.7V307V307-F309 HydrophobicContact CG1-CD2 3.78Å; V307-F309 HydrophobicContact CG1-CE2 3.49Å; V307-F309 VanDerWaalsContact CG1-CE2 3.49Å; V307-F309 HydrophobicContact CG1-CZ 4.47Å
310L48.4Very low53.6Low252 Ų252157.2 Ų157.2100%1.31980%0.801SS**  trans-153.40148.7-13778.3000109.4

Retrieved 310 of 310 residues in 258 ms (Link to these results)