A0A077YXH2_TRITR Loading...

Blgs 1

AlphaFold DB , UniProt , Accession A0A077YXH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 846 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
1M34.4Very low38Very low229 Ų229125.7 Ų125.7100%1.12878%0.775SS**  0-8.80-65.3-168.5-153.600114.5Q3M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.77Å
2A37Very low37.9Very low102 Ų102118.9 Ų118.984%0.84373%0.733SS**THydrogen-bonded Turntrans-8517.7-176.900000115.8
3Q35.5Very low38.2Very low186 Ų186114.6 Ų114.687%0.86970%0.702SS**THydrogen-bonded Turntrans-103.6-0.5-174-116.3179.1-0.200115.3M1M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.77Å
4N34.7Very low38.4Very low152 Ų152116.3 Ų116.381%0.81369%0.69SS**SBendtrans-132.522.2-174.4-100.6-43000116.2
5Y33.7Very low38.9Very low149 Ų149110.1 Ų110.158%0.58465%0.654SS**  trans-11236.1173.1-68.7-81.5000112.7G7 Q8Y5-G7 PolarHBondContact O-N 3.38Å; Y5-Q8 VanDerWaalsContact O-O 3.14Å
6A45.4Very low39.3Very low112 Ų112111.1 Ų111.193%0.92665%0.648SS**THydrogen-bonded Turntrans-72.4-0.5178.300000114.4
7G37.4Very low39.5Very low80 Ų80107.9 Ų107.983%0.82563%0.633SS**THydrogen-bonded Turntrans-116-12.4178.200000115.3Y5Y5-G7 PolarHBondContact O-N 3.38Å
8Q40.8Very low40.2Very low138 Ų138108.6 Ų108.665%0.64564%0.638SS**SBendtrans-110112.9171.9-72.5-174.3-10.200106Y5 C10Y5-Q8 VanDerWaalsContact O-O 3.14Å; Q8-C10 PolarHBondContact O-N 3.06Å
9G35.3Very low40.6Very low80 Ų80110.6 Ų110.683%0.82564%0.641SS**  trans-57.291.8175.800000109.9S11G9-S11 PolarHBondContact O-N 3.32Å
10C36.8Very low41Very low64 Ų64109.8 Ų109.843%0.43263%0.634SS.*  trans-6891.4167.3-69.90000105.8Q8 V12 F33Q8-C10 PolarHBondContact O-N 3.06Å; C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.16Å; C10-F33 WeakPolarHBondContact O-CE1 3.47Å
11S46.5Very low41.3Very low91 Ų91105.4 Ų105.464%0.63661%0.61SS**  trans-69.1-7.2-178.354.40000113.1G9G9-S11 PolarHBondContact O-N 3.32Å
12V37.5Very low41.5Very low44 Ų44100 Ų10027%0.26759%0.586SS.*  trans-135.4117-177.4-171.90000110.4C10 Y14 I37C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.16Å; V12-Y14 HydrophobicContact CB-CE2 4.13Å; V12-Y14 HydrophobicContact CG1-CD2 4.09Å; V12-Y14 HydrophobicContact CG1-CE1 4.2Å; V12-Y14 HydrophobicContact CG1-CE2 3.69Å; V12-I37 HydrophobicContact CG1-CD1 4.05Å; V12-I37 HydrophobicContact CG1-CG1 4.5Å
13L41.8Very low41.8Very low63 Ų63103.3 Ų103.333%0.3358%0.577SS.*  trans-97.6110.6170.3-161.185000108.4V15 A24L13-V15 HydrophobicContact CD2-CG2 3.64Å; L13-V15 HydrophobicContact CG-CG2 4.04Å; L13-V15 PolarHBondContact O-N 3.48Å; L13-A24 HydrophobicContact CD2-CB 3.99Å
14Y40.6Very low42.2Very low138 Ų13895.2 Ų95.254%0.54154%0.541SS..  trans-81.9107.9176.1-65.8-91.4000109.7V12 F16 F39V12-Y14 HydrophobicContact CB-CE2 4.13Å; V12-Y14 HydrophobicContact CG1-CD2 4.09Å; V12-Y14 HydrophobicContact CG1-CE1 4.2Å; V12-Y14 HydrophobicContact CG1-CE2 3.69Å; Y14-F16 HydrophobicContact CD1-CZ 4.48Å; Y14-F39 AromaticContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CZ 4.32Å; Y14-F39 AromaticContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CZ 4.16Å
15V45.9Very low42.7Very low23 Ų2390.4 Ų90.414%0.13952%0.523CS..  trans-108.5101.8-177.1-171.50000110.9L13 S17 L20 A21 A24L13-V15 HydrophobicContact CD2-CG2 3.64Å; L13-V15 HydrophobicContact CG-CG2 4.04Å; L13-V15 PolarHBondContact O-N 3.48Å; V15-S17 PolarHBondContact O-N 3.48Å; V15-L20 HydrophobicContact CG1-CB 3.78Å; V15-L20 HydrophobicContact CG1-CD2 4.11Å; V15-L20 HydrophobicContact CG1-CG 4.06Å; V15-A21 HydrophobicContact CG1-CB 3.99Å; V15-A24 HydrophobicContact CG2-CB 3.96Å
16F45.5Very low43.3Very low127 Ų12790.3 Ų90.356%0.55753%0.528SS*.  trans-92.164.6-179.8-62.7-82.7000111.6Y14Y14-F16 HydrophobicContact CD1-CZ 4.48Å
17S43.5Very low43.1Very low57 Ų5787.8 Ų87.840%0.39951%0.507SS..  trans169.3131.9166.1159.30000109.2V15 Q19 L20 A21V15-S17 PolarHBondContact O-N 3.48Å; S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 PolarHBondContact OG-N 3.37Å; S17-Q19 VanDerWaalsContact OG-N 3.15Å; S17-L20 CarbonylContact O-C 3.03Å; S17-L20 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact OG-N 3.45Å; S17-A21 WeakPolarHBondContact O-CB 2.97Å; S17-A21 PolarHBondContact O-N 3.5Å
18T50.9Low43.5Very low119 Ų11985.4 Ų85.473%0.7348%0.476SS*.Hα-helixtrans-58.2-31.8173.916.80000112.8A21 N22T18-A21 PolarHBondContact O-N 3.02Å; T18-N22 PolarHBondContact O-N 3.41Å
19Q47.5Very low43.7Very low147 Ų14783.7 Ų83.769%0.68748%0.479SS*.Hα-helixtrans-72.9-33.2176.1-64.1-172.111.900112.2S17S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 PolarHBondContact OG-N 3.37Å; S17-Q19 VanDerWaalsContact OG-N 3.15Å
20L49.6Very low44.1Very low95 Ų9584.2 Ų84.250%0.49747%0.469SS..Hα-helixtrans-76.6-30.1173.8-158.573.4000110.7V15 S17 R23 A24V15-L20 HydrophobicContact CG1-CB 3.78Å; V15-L20 HydrophobicContact CG1-CD2 4.11Å; V15-L20 HydrophobicContact CG1-CG 4.06Å; S17-L20 CarbonylContact O-C 3.03Å; S17-L20 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact OG-N 3.45Å; L20-R23 CarbonylContact O-C 3.55Å; L20-R23 PolarHBondContact O-N 2.89Å; L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.43Å
21A46.1Very low44.2Very low17 Ų1787.5 Ų87.514%0.1448%0.478CS..Hα-helixtrans-65-42.5176.600000112.3V15 S17 T18 R23 A24 A25V15-A21 HydrophobicContact CG1-CB 3.99Å; S17-A21 WeakPolarHBondContact O-CB 2.97Å; S17-A21 PolarHBondContact O-N 3.5Å; T18-A21 PolarHBondContact O-N 3.02Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.33Å; A21-A24 CarbonylContact O-C 3.48Å; A21-A24 PolarHBondContact O-N 3.35Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.41Å
22N40.1Very low43.8Very low117 Ų11793 Ų9363%0.62649%0.494SS*.Hα-helixtrans-64.4-36.4174.2-78.8-22.1000112.4T18 Q26T18-N22 PolarHBondContact O-N 3.41Å; N22-Q26 WeakPolarHBondContact O-CG 3.34Å; N22-Q26 PolarHBondContact O-N 3.37Å
23R42.6Very low43.7Very low171 Ų17194 Ų9465%0.64549%0.494SS*.Hα-helixtrans-71-37.7173.9-106-174-90.7-159.3-6.2112.3L20 A21 Q26 A27L20-R23 CarbonylContact O-C 3.55Å; L20-R23 PolarHBondContact O-N 2.89Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.33Å; R23-Q26 PolarHBondContact O-N 3.15Å; R23-A27 PolarHBondContact O-N 3.29Å
24A44Very low43.4Very low15 Ų1598.3 Ų98.312%0.12452%0.518CS..Hα-helixtrans-67.3-41.2174.800000110.8L13 V15 L20 A21 Q26 A27 V28L13-A24 HydrophobicContact CD2-CB 3.99Å; V15-A24 HydrophobicContact CG2-CB 3.96Å; L20-A24 VanDerWaalsContact O-CB 3.3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.43Å; A21-A24 CarbonylContact O-C 3.48Å; A21-A24 PolarHBondContact O-N 3.35Å; A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 3.19Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 WeakPolarHBondContact O-CA 3.41Å; A24-A27 PolarHBondContact O-N 3.42Å; A24-V28 VanDerWaalsContact O-CB 3.31Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.16Å
25A45.7Very low42.8Very low51 Ų5197.2 Ų97.242%0.42152%0.521SS..Hα-helixtrans-60.5-36.6174.900000112A21 S29A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.41Å; A25-S29 PolarHBondContact O-N 3.24Å
26Q46.4Very low42.5Very low148 Ų148100 Ų10069%0.69254%0.535SS*.Hα-helixtrans-71.1-30171.4-70.8-179.54.300113.2N22 R23 A24 S29N22-Q26 WeakPolarHBondContact O-CG 3.34Å; N22-Q26 PolarHBondContact O-N 3.37Å; R23-Q26 PolarHBondContact O-N 3.15Å; A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 3.19Å; Q26-S29 PolarHBondContact O-OG 3.48Å; Q26-S29 VanDerWaalsContact O-OG 3.08Å
27A41.6Very low42.3Very low59 Ų5997.6 Ų97.649%0.48853%0.527SS..Hα-helixtrans-80-27.617400000113.1R23 A24 S29 C30R23-A27 PolarHBondContact O-N 3.29Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 WeakPolarHBondContact O-CA 3.41Å; A24-A27 PolarHBondContact O-N 3.42Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.4Å; A27-C30 PolarHBondContact O-N 3.47Å; A27-C30 VanDerWaalsContact O-N 3.16Å
28V44.4Very low42Very low30 Ų30100.7 Ų100.718%0.18254%0.535CS..Hα-helixtrans-76.1-16.3180172.50000111.2A24 C30 H31 F33A24-V28 VanDerWaalsContact O-CB 3.31Å; A24-V28 WeakPolarHBondContact O-CB 3.36Å; A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.16Å; V28-C30 PolarHBondContact O-N 3.44Å; V28-C30 VanDerWaalsContact O-N 3.07Å; V28-H31 PolarHBondContact O-N 3.36Å; V28-H31 VanDerWaalsContact O-O 3.06Å; V28-F33 HydrophobicContact CB-CD2 4.29Å; V28-F33 HydrophobicContact CG1-CB 3.99Å; V28-F33 HydrophobicContact CG1-CD2 4.05Å; V28-F33 HydrophobicContact CG2-CD2 3.72Å; V28-F33 HydrophobicContact CG2-CE2 4.34Å; V28-F33 HydrophobicContact CG2-CG 4.42Å
29S45.9Very low41.2Very low101 Ų10198.7 Ų98.771%0.70652%0.516SS*.THydrogen-bonded Turntrans-61.8-14.8166.573.90000112.8A25 Q26 A27A25-S29 PolarHBondContact O-N 3.24Å; Q26-S29 PolarHBondContact O-OG 3.48Å; Q26-S29 VanDerWaalsContact O-OG 3.08Å; A27-S29 VanDerWaalsContact C-N 3.28Å; A27-S29 PolarHBondContact O-N 3.4Å
30C43.3Very low40.7Very low91 Ų9196.7 Ų96.762%0.61551%0.507SS*.THydrogen-bonded Turntrans-103.6-13.5-179.4-60.90000114.5A27 V28A27-C30 PolarHBondContact O-N 3.47Å; A27-C30 VanDerWaalsContact O-N 3.16Å; V28-C30 PolarHBondContact O-N 3.44Å; V28-C30 VanDerWaalsContact O-N 3.07Å
31H39.6Very low40.2Very low133 Ų133103.6 Ų103.662%0.61653%0.526SS*.SBendtrans-141.6130.4-179.9-73.6-66.5000111.3V28 F33V28-H31 PolarHBondContact O-N 3.36Å; V28-H31 VanDerWaalsContact O-O 3.06Å; H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD2 4.17Å; H31-F33 HydrophobicContact CB-CE2 3.77Å; H31-F33 WeakPolarHBondContact O-CD2 3.33Å; H31-F33 PolarHBondContact O-N 3.03Å
32Q38.3Very low39.9Very low206 Ų206107.3 Ų107.396%0.96355%0.551SS**  trans-58.372.4-178.3-71.4174.9-31.700113.4
33F33.8Very low39.9Very low65 Ų65106 Ų10629%0.28554%0.542SS..  trans-87.9113.8164.6-64-80.2000108.3C10 V28 H31 N35C10-F33 WeakPolarHBondContact O-CE1 3.47Å; V28-F33 HydrophobicContact CB-CD2 4.29Å; V28-F33 HydrophobicContact CG1-CB 3.99Å; V28-F33 HydrophobicContact CG1-CD2 4.05Å; V28-F33 HydrophobicContact CG2-CD2 3.72Å; V28-F33 HydrophobicContact CG2-CE2 4.34Å; V28-F33 HydrophobicContact CG2-CG 4.42Å; H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD2 4.17Å; H31-F33 HydrophobicContact CB-CE2 3.77Å; H31-F33 WeakPolarHBondContact O-CD2 3.33Å; H31-F33 PolarHBondContact O-N 3.03Å; F33-N35 VanDerWaalsContact C-N 3.34Å
34N37.3Very low40.1Very low154 Ų154101.5 Ų101.582%0.82453%0.528SS*.  trans-78-14.7-177.7-100.9-26.8000113.9
35N27.1Very low40.1Very low115 Ų115108 Ų10862%0.61556%0.556SS**  trans-148.5127.2179.3-78.3-50.4000112.5F33F33-N35 VanDerWaalsContact C-N 3.34Å
36I40.1Very low40.2Very low82 Ų82108.8 Ų108.842%0.42156%0.555SS.*  trans-99.9116.9164.5-60.3173000105.9E38I36-E38 HydrophobicContact CG2-CG 3.99Å
37I41.3Very low39.8Very low76 Ų76106 Ų10639%0.3954%0.538SS..  trans-92.5100170.7-57.4177.1000106.8V12 F39V12-I37 HydrophobicContact CG1-CD1 4.05Å; V12-I37 HydrophobicContact CG1-CG1 4.5Å; I37-F39 HydrophobicContact CB-CE2 4.25Å; I37-F39 HydrophobicContact CG2-CD2 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.66Å; I37-F39 HydrophobicContact CG2-CZ 3.86Å; I37-F39 PolarHBondContact O-N 2.88Å
38E35.7Very low39.8Very low122 Ų122108 Ų10857%0.5754%0.538SS*.  trans-76.4110.9172.8-71.3-172.7163.900109.7I36 H40I36-E38 HydrophobicContact CG2-CG 3.99Å; E38-H40 PolarHBondContact O-N 3.4Å; E38-H40 IonicContact OE2-NE2 3.79Å
39F34.2Very low39.9Very low77 Ų77113.4 Ų113.434%0.33857%0.565SS.*  trans-80.698.6168.7-71.1-87.7000108.7Y14 I37 Q43Y14-F39 AromaticContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CE2 3.66Å; Y14-F39 HydrophobicContact CD1-CZ 4.32Å; Y14-F39 AromaticContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CE2 3.91Å; Y14-F39 HydrophobicContact CE1-CZ 4.16Å; I37-F39 HydrophobicContact CB-CE2 4.25Å; I37-F39 HydrophobicContact CG2-CD2 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.66Å; I37-F39 HydrophobicContact CG2-CZ 3.86Å; I37-F39 PolarHBondContact O-N 2.88Å; F39-Q43 HydrophobicContact CD1-CB 4.03Å; F39-Q43 VanDerWaalsContact CD1-OE1 3.3Å
40H37.1Very low40Very low106 Ų106115.5 Ų115.549%0.49157%0.567SS.*  trans-66145.2165.9-72.4-87.4000109.3E38 S42 Q43E38-H40 PolarHBondContact O-N 3.4Å; E38-H40 IonicContact OE2-NE2 3.79Å; H40-S42 PolarHBondContact O-N 3.37Å; H40-Q43 PolarHBondContact O-N 3.11Å
41R39.9Very low40.2Very low239 Ų239117.1 Ų117.190%0.90257%0.567SS**G310 helixtrans-43.2-24.4-176.8-159.8-175-146.3-172.95.4115.7Q43 E44R41-Q43 VanDerWaalsContact C-N 3.34Å; R41-E44 WeakPolarHBondContact O-CB 3.49Å; R41-E44 PolarHBondContact O-N 3.19Å
42S39.2Very low40.2Very low95 Ų95117 Ų11766%0.66457%0.571SS**G310 helixtrans-73.7-15.9176.360.20000114.8H40H40-S42 PolarHBondContact O-N 3.37Å
43Q41.1Very low39.8Very low91 Ų91110.9 Ų110.943%0.42555%0.551SS.*G310 helixtrans-94.24.1172.9-75.2-1648.400113.9F39 H40 R41 E45 T46 R47F39-Q43 HydrophobicContact CD1-CB 4.03Å; F39-Q43 VanDerWaalsContact CD1-OE1 3.3Å; H40-Q43 PolarHBondContact O-N 3.11Å; R41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-E45 PolarHBondContact O-N 3.32Å; Q43-T46 WeakPolarHBondContact O-CA 3.42Å; Q43-T46 WeakPolarHBondContact O-CB 3.35Å; Q43-T46 PolarHBondContact O-N 2.9Å; Q43-R47 PolarHBondContact O-N 3.36Å
44E46.6Very low40.1Very low75 Ų75113 Ų11335%0.3557%0.571SS.*Hα-helixtrans-58.1-28170.1-175.859.6-157.900111.3R41 R47 Q48R41-E44 WeakPolarHBondContact O-CB 3.49Å; R41-E44 PolarHBondContact O-N 3.19Å; E44-R47 WeakPolarHBondContact O-CB 3.43Å; E44-R47 PolarHBondContact O-N 3.1Å; E44-R47 IonicContact OE1-CZ 3.07Å; E44-R47 IonicContact OE1-NE 2.72Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.66Å; E44-R47 PolarHBondContact OE1-NH2 3.48Å; E44-R47 WeakPolarHBondContact OE2-CD 3.31Å; E44-R47 IonicContact OE2-CZ 3.99Å; E44-R47 IonicContact OE2-NE 2.98Å; E44-R47 PolarHBondContact OE2-NE 3.4Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.9Å
45E42.8Very low40.4Very low152 Ų152110.8 Ų110.871%0.7157%0.574SS**Hα-helixtrans-65.8-41.2171.1-68.2179.2165.900112.2Q43 R47 Q48 L49Q43-E45 PolarHBondContact O-N 3.32Å; E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 PolarHBondContact O-N 3.44Å; E45-Q48 PolarHBondContact O-N 2.99Å; E45-L49 PolarHBondContact O-N 3.22Å
46T49.2Very low40.6Very low68 Ų68110 Ų11042%0.41758%0.578SS.*Hα-helixtrans-65.6-33.8173.4-35.30000111Q43 L49 L50Q43-T46 WeakPolarHBondContact O-CA 3.42Å; Q43-T46 WeakPolarHBondContact O-CB 3.35Å; Q43-T46 PolarHBondContact O-N 2.9Å; T46-L49 PolarHBondContact O-N 3.35Å; T46-L50 HydrophobicContact CG2-CD1 4.35Å; T46-L50 WeakPolarHBondContact O-CD1 3.36Å; T46-L50 PolarHBondContact O-N 3.5Å
47R37.2Very low40Very low88 Ų88110.5 Ų110.533%0.33259%0.593SS.*Hα-helixtrans-67.5-41.6172.8-163.3-168.575.286.59.7112Q43 E44 E45 L49 L50 M51Q43-R47 PolarHBondContact O-N 3.36Å; E44-R47 WeakPolarHBondContact O-CB 3.43Å; E44-R47 PolarHBondContact O-N 3.1Å; E44-R47 IonicContact OE1-CZ 3.07Å; E44-R47 IonicContact OE1-NE 2.72Å; E44-R47 PolarHBondContact OE1-NE 2.9Å; E44-R47 IonicContact OE1-NH2 2.66Å; E44-R47 PolarHBondContact OE1-NH2 3.48Å; E44-R47 WeakPolarHBondContact OE2-CD 3.31Å; E44-R47 IonicContact OE2-CZ 3.99Å; E44-R47 IonicContact OE2-NE 2.98Å; E44-R47 PolarHBondContact OE2-NE 3.4Å; E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 PolarHBondContact O-N 3.44Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.39Å; R47-L50 PolarHBondContact O-N 2.88Å; R47-M51 PolarHBondContact NH1-SD 3.26Å; R47-M51 WeakPolarHBondContact O-CB 3.26Å; R47-M51 WeakPolarHBondContact O-CG 3.5Å; R47-M51 PolarHBondContact O-N 3.45Å
48Q42.2Very low39.5Very low102 Ų102112.4 Ų112.448%0.47761%0.613SS.*Hα-helixtrans-61.4-40.3173.7-75.9-171.354.100110.8E44 E45 L50 M51 L52E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.9Å; E45-Q48 PolarHBondContact O-N 2.99Å; Q48-L50 PolarHBondContact O-N 3.36Å; Q48-M51 PolarHBondContact O-N 3.47Å; Q48-L52 HydrophobicContact CB-CD1 4.25Å; Q48-L52 VanDerWaalsContact O-CB 3.24Å; Q48-L52 WeakPolarHBondContact O-CB 3.1Å; Q48-L52 WeakPolarHBondContact O-CD1 3.36Å; Q48-L52 WeakPolarHBondContact O-CG 3.32Å; Q48-L52 PolarHBondContact O-N 3.25Å
49L45.9Very low39.1Very low143 Ų143112.5 Ų112.575%0.74962%0.623SS**Hα-helixtrans-64-37.6176-138.884000113E45 T46 R47E45-L49 PolarHBondContact O-N 3.22Å; T46-L49 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 3.39Å
50L47.9Very low38.8Very low145 Ų145118 Ų11876%0.75965%0.647SS**Hα-helixtrans-74.6-27.1175.4-96.7103.4000113.6T46 R47 Q48T46-L50 HydrophobicContact CG2-CD1 4.35Å; T46-L50 WeakPolarHBondContact O-CD1 3.36Å; T46-L50 PolarHBondContact O-N 3.5Å; R47-L50 PolarHBondContact O-N 2.88Å; Q48-L50 PolarHBondContact O-N 3.36Å
51M48.2Very low38.3Very low125 Ų125122.2 Ų122.262%0.61666%0.664SS**Hα-helixtrans-88.5-26.1178.8-72.2-154.97100113.6R47 Q48 S53R47-M51 PolarHBondContact NH1-SD 3.26Å; R47-M51 WeakPolarHBondContact O-CB 3.26Å; R47-M51 WeakPolarHBondContact O-CG 3.5Å; R47-M51 PolarHBondContact O-N 3.45Å; Q48-M51 PolarHBondContact O-N 3.47Å; M51-S53 VanDerWaalsContact C-N 3.27Å; M51-S53 PolarHBondContact O-N 3.41Å
52L39.2Very low37.7Very low132 Ų132116.7 Ų116.769%0.69166%0.659SS**SBendtrans-89.354.7176.2-72.6157.7000111.3Q48Q48-L52 HydrophobicContact CB-CD1 4.25Å; Q48-L52 VanDerWaalsContact O-CB 3.24Å; Q48-L52 WeakPolarHBondContact O-CB 3.1Å; Q48-L52 WeakPolarHBondContact O-CD1 3.36Å; Q48-L52 WeakPolarHBondContact O-CG 3.32Å; Q48-L52 PolarHBondContact O-N 3.25Å
53S29.2Very low37Very low77 Ų77121.1 Ų121.154%0.53867%0.671SS.*  trans-162.894.1144.6-146.30000111.9M51M51-S53 VanDerWaalsContact C-N 3.27Å; M51-S53 PolarHBondContact O-N 3.41Å
54P41.6Very low36.4Very low110 Ų110120.7 Ų120.771%0.71468%0.684SS**SBendtrans-86.3138.3158.832.9-24.8000109.3
55A42.4Very low35.6Very low106 Ų106122.4 Ų122.488%0.87671%0.71SS**SBendtrans76.313.6159.700000121.6
56S31.6Very low34.7Very low100 Ų100121.7 Ų121.770%0.69971%0.711SS**  trans-141.543.8170.662.50000115.9
57A28.7Very low33.8Very low91 Ų91123.8 Ų123.875%0.75272%0.724SS**  trans-127.215.7169.500000114T59A57-T59 VanDerWaalsContact C-N 3.32Å
58S28.9Very low33.3Very low116 Ų116129 Ų12981%0.81175%0.749SS**SBendtrans-88.58.8172.958.50000113.9
59T29Very low32.5Very low124 Ų124133.5 Ų133.576%0.76177%0.767SS**SBendtrans-129.851.3173.1-35.30000111.9A57A57-T59 VanDerWaalsContact C-N 3.32Å
60F26.5Very low31.5Very low194 Ų194135.8 Ų135.885%0.85177%0.771SS**  trans-129.392.3150.9-97.1-87.7000107.7P62F60-P62 WeakPolarHBondContact O-CD 3.44Å
61K27.8Very low30.5Very low194 Ų194139.1 Ų139.184%0.84378%0.775SS**  trans-60.6121.2159-83.7177.1176.3172.90106.2M63K61-M63 PolarHBondContact O-N 2.94Å
62P27.1Very low29.3Very low123 Ų123144.9 Ų144.980%0.79979%0.79SS**  trans-59.5111.4166.923.8-30.5000107.4F60 A64F60-P62 WeakPolarHBondContact O-CD 3.44Å; P62-A64 PolarHBondContact O-N 2.97Å
63M24.7Very low28.6Very low187 Ų187141.8 Ų141.892%0.92179%0.79SS**  trans-59.8122.8163.6-99.1-170-171.100106.9K61 A65K61-M63 PolarHBondContact O-N 2.94Å; M63-A65 PolarHBondContact O-N 3.43Å
64A26.8Very low28.4Very low83 Ų83143.4 Ų143.469%0.68680%0.801SS**  trans-51.8135.9173.900000110.2P62 N66P62-A64 PolarHBondContact O-N 2.97Å; A64-N66 PolarHBondContact O-N 3.21Å
65A30Very low27.6Very low110 Ų110144.4 Ų144.491%0.90981%0.805SS**  trans-66.683.3170.400000109.4M63 T67M63-A65 PolarHBondContact O-N 3.43Å; A65-T67 PolarHBondContact O-N 2.99Å
66N25.6Very low26.9Very low137 Ų137143.6 Ų143.673%0.73379%0.793SS**  trans-80.4111.9165.2-115.3-50.9000108.9A64A64-N66 PolarHBondContact O-N 3.21Å
67T28.6Very low26.5Very low112 Ų112146.7 Ų146.769%0.68780%0.796SS**  trans41.2111135.246.90000119.3A65A65-T67 PolarHBondContact O-N 2.99Å
68K26.7Very low26.4Very low197 Ų197149.2 Ų149.286%0.85780%0.796SS**  trans36.7120.4137.8-78-177.2175.9173.70119.6
69K26.1Very low26.2Very low197 Ų197147.3 Ų147.386%0.85779%0.788SS**  trans103.8118.6145.5-66.1172.5176.9177.90118.8
70K25.1Very low26.1Very low191 Ų191147.3 Ų147.383%0.8379%0.788SS**  trans46.9150.1143-72.9-169177.2-173.70121.4
71Y26.6Very low26Very low215 Ų215142.4 Ų142.484%0.84378%0.777SS**  trans95.9111.4172-69.3-88.5000114.1
72R22.9Very low26.2Very low246 Ų246140.7 Ų140.793%0.92878%0.778SS**  81108.652.4-159.1-170.5-160.4-161.96.5113.7
73G24.5Very low26.2Very low67 Ų67141.6 Ų141.669%0.69178%0.78SS**  trans90.8149.8162.600000114.6
74S24Very low26.3Very low111 Ų111136.5 Ų136.578%0.77677%0.768SS**  cis174.2132.1-1.7-102.50000107.9
75V26.2Very low26.5Very low132 Ų132140.3 Ų140.380%0.878%0.777SS**  trans50.5147.8143.7-67.50000126.3
76S26.6Very low26.3Very low88 Ų88140.5 Ų140.562%0.61577%0.772SS**  trans93111142.7-80.60000119.8
77E23.7Very low26.4Very low165 Ų165140.2 Ų140.277%0.77178%0.78SS**  88.8144.598.7-78.6174.8125.600111.5
78L26.1Very low26.3Very low144 Ų144138.2 Ų138.275%0.75478%0.782SS**  cis-176.3151.732.5-151.875.8000110.5
79A25.8Very low26.7Very low76 Ų76138.8 Ų138.863%0.62879%0.788SS**  trans58152.5132.600000123.4
80T26.4Very low26.5Very low125 Ų125135.3 Ų135.377%0.76779%0.788SS**  cis-178.7151.7-2.4300000109.9
81S25.1Very low26.9Very low90 Ų90132 Ų13263%0.62979%0.789SS**  trans59130.5137.669.20000124.1
82N30.9Very low26.6Very low159 Ų159130.1 Ų130.185%0.8579%0.788SS**  176151.8104.6-90.8-19.9000116.5
83V28.2Very low26.7Very low141 Ų141124.1 Ų124.186%0.85578%0.778SS**  trans-117.1158.5-179.9167.60000108.9
84A26.5Very low26.7Very low80 Ų80126.7 Ų126.766%0.66178%0.78SS**  trans98.3125.1160.300000119.1
85D30.2Very low26.8Very low164 Ų164126.7 Ų126.788%0.87778%0.781SS**  166.6160101.1-97.5-30.5000115.5
86S26.8Very low26.6Very low114 Ų114129.2 Ų129.280%0.79778%0.783SS**  trans-103.6152.6-171.9-52.20000113.8
87S28.2Very low26.7Very low130 Ų130130 Ų13091%0.90980%0.795SS**  trans156.5146.2151.650.60000109.8
88G26Very low26.6Very low70 Ų70128.6 Ų128.672%0.72280%0.797SS**  cis173.8146.4-3.500000108.2
89Q34.4Very low26.6Very low210 Ų210126.2 Ų126.298%0.98180%0.799SS**  trans168.5121.1143.8-94.5-179.424.800111.6
90S21.9Very low26.4Very low123 Ų123128 Ų12886%0.8681%0.806SS**  trans-104.1140.817266.20000110.9
91S33.1Very low26.2Very low123 Ų123129 Ų12986%0.8681%0.812SS**  trans-167.5127.3147.8-178.40000110.5
92E21.9Very low26.2Very low175 Ų175130.2 Ų130.282%0.81882%0.821SS**  trans-92.8151-179.2-94.7-177.3131.600112.5
93V24.9Very low25.9Very low119 Ų119130.2 Ų130.272%0.72182%0.82SS**  trans84.2110.7131.3169.70000122
94V24.2Very low25.9Very low121 Ų121127 Ų12773%0.73382%0.817SS**  81.9111.4128.1172.70000122.1
95S25.1Very low25.9Very low112 Ų112128.8 Ų128.878%0.78382%0.824SS**  167139.8108.9-72.80000113.9
96H21.9Very low25.5Very low184 Ų184127.4 Ų127.485%0.85282%0.821SS**  trans-66.5150.5173.1-82.3-93.9000114.2
97A28.8Very low25.6Very low104 Ų104127.3 Ų127.386%0.8682%0.818SS**  trans-137.1127.7151.100000110.2
98V23Very low25.5Very low136 Ų136127.6 Ų127.682%0.82481%0.814SS**  trans-127123.8172.2-82.50000108.4
99A26.2Very low25.3Very low95 Ų95132.8 Ų132.879%0.78582%0.821SS**  trans176.2116158.300000107.4
100S20.7Very low25Very low113 Ų113127.8 Ų127.879%0.7982%0.816SS**  79.3109.671.1-77.40000115.7
101V22.2Very low25.1Very low147 Ų147129.2 Ų129.289%0.89181%0.814SS**  trans49134.6144.9-72.90000123.8
102S25.9Very low25.7Very low115 Ų115127.9 Ų127.980%0.80480%0.803SS**  166.2115.8128.9-170.40000109.8
103D23Very low25.8Very low158 Ų158125 Ų12585%0.84580%0.801SS**  74.1122.383.2-129.5-20.1000115.2
104G29.7Very low26Very low75 Ų75123.5 Ų123.577%0.77380%0.802SS**  trans-158.5113.6-176.900000111.8
105S25.4Very low26Very low117 Ų117125.7 Ų125.782%0.81881%0.809SS**  trans-91158.6-160.4-44.20000116
106V23.1Very low25.9Very low134 Ų134124.4 Ų124.481%0.81281%0.805SS**  trans-65.6164.1169.5-150.50000111.5
107P28.5Very low26.1Very low113 Ų113121.4 Ų121.473%0.73480%0.804SS**  -157.9170.798.443.2-24000118.6
108V25.9Very low25.8Very low135 Ų135126 Ų12682%0.81881%0.808SS**  trans87.9120.6150.3-167.10000121
109M21.3Very low25.8Very low179 Ų179122.9 Ų122.988%0.88280%0.803SS**  trans-76.9148.5171.1-59.3-153.5-64.900114
110A28.8Very low25.8Very low106 Ų106124.8 Ų124.888%0.87681%0.805SS**  trans-154.5131.8143.800000109.4
111D24.6Very low25.8Very low153 Ų153124.9 Ų124.982%0.81880%0.801SS**  trans-107-175.1-177-153.915.9000108.6
112P45.6Very low25.9Very low95 Ų95127 Ų12762%0.61780%0.798SS**  -115.8-174.8-99.636.2-19.4000112.9
113S23.5Very low26Very low113 Ų113128.4 Ų128.479%0.7980%0.796SS**  trans114.4141148-46.80000117.9
114A27.8Very low26.1Very low89 Ų89128.6 Ų128.674%0.73679%0.792SS**  trans99.192.5156.600000118.8
115L25.1Very low25.9Very low167 Ų167132.4 Ų132.487%0.87479%0.79SS**  53.5115.5116.5-70.4159.4000120.7
116A23.9Very low26.1Very low85 Ų85133.4 Ų133.470%0.70278%0.781SS**  trans55.4118.6130.200000120.1
117S25.6Very low26.1Very low120 Ų120135 Ų13584%0.83978%0.78SS**  174.9152102.9-70.10000111.3
118E22.7Very low25.9Very low201 Ų201137.7 Ų137.794%0.93978%0.783SS**  trans-52.6152.3-179.2-61.4167.3111.200115.4
119G23.2Very low25.7Very low70 Ų70139.1 Ų139.172%0.72279%0.785SS**  trans155.485.7153.400000118.5
120V24.6Very low26Very low136 Ų136136.1 Ų136.182%0.82478%0.781SS**  trans71.898.3134-173.70000120.6
121V20.9Very low25.8Very low115 Ų115136.4 Ų136.470%0.69778%0.777SS**  59.3123.2120.1-173.80000121.7
122K25.3Very low26Very low191 Ų191135.8 Ų135.883%0.8378%0.778SS**  trans75.9103.9153-79.2167.9-173.9-177.60118.6
123N27.6Very low25.1Very low144 Ų144139.6 Ų139.677%0.7779%0.785SS**  trans-153.8121.3145.1-91.8-13.4000106.2
124E26.1Very low25.2Very low163 Ų163140.1 Ų140.176%0.76279%0.789SS**  67.6113.191.4-70.4-171.9143.100113
125E25.6Very low25.2Very low155 Ų155144.8 Ų144.872%0.72480%0.795SS**  trans60.5145.8130.3-143.2170.6132.100121
126H29Very low25.2Very low137 Ų137140.2 Ų140.263%0.63479%0.789SS**  trans86.499.9171.3-54.2-62.8000115.7
127Q23Very low25.3Very low167 Ų167143.6 Ų143.678%0.7880%0.795SS**  46.590.888-72.4-169.841.500111.7
128Q23.7Very low25.5Very low171 Ų171143.3 Ų143.380%0.79979%0.788SS**  176.5117.6117.9-93161.352.400108.9S130Q128-S130 PolarHBondContact O-N 3.42Å
129L23Very low25.6Very low165 Ų165139.4 Ų139.486%0.86478%0.782SS**  30.993.2129.9-62.3165.1000115.6
130S26Very low25.8Very low115 Ų115143.5 Ų143.580%0.80479%0.786SS**  169.6138.9114.847.10000111Q128Q128-S130 PolarHBondContact O-N 3.42Å
131S25.4Very low25.8Very low112 Ų112141.9 Ų141.978%0.78378%0.781SS**  trans64.183.3153.1-179.70000117.4
132V27.8Very low25.9Very low141 Ų141141.8 Ų141.886%0.85579%0.785SS**  trans-132.4103.4131.3-168.40000108.4
133K27.7Very low26.1Very low175 Ų175141.1 Ų141.176%0.76179%0.787SS**  trans34.5113.5141.5-101.1164.9169.6172.30117.3E135K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 PolarHBondContact O-N 3.35Å
134S25.8Very low26.1Very low123 Ų123143.2 Ų143.286%0.8678%0.784SS**  trans-45.690141.253.30000111.7
135E27.9Very low26.3Very low188 Ų188138.6 Ų138.688%0.87977%0.768SS**  trans-91.4125.5142.9-71.6-177131.100104.6K133K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 PolarHBondContact O-N 3.35Å
136G25.3Very low26.4Very low71 Ų71138.8 Ų138.873%0.73277%0.774SS**  cis147.367.724.300000103.7
137D25.4Very low26.5Very low156 Ų156136.5 Ų136.583%0.83478%0.78SS**SBendtrans-124.3115.7170.3-114.8-40.4000109.5
138V29.4Very low26.9Very low114 Ų114136 Ų13669%0.69178%0.782SS**  trans63.165.6160.7-156.10000115.7I140V138-I140 HydrophobicContact CG1-CG1 4.14Å; V138-I140 PolarHBondContact O-N 2.96Å
139S25.3Very low27.1Very low118 Ų118136.5 Ų136.583%0.82578%0.784SS**  trans-80.1112.1142-78.70000108.6S141S139-S141 PolarHBondContact O-N 3.04Å
140I27.3Very low27.9Very low157 Ų157133.2 Ų133.281%0.80577%0.773SS**  trans-61.484.3173.4-43.9164.1000107V138 S142V138-I140 HydrophobicContact CG1-CG1 4.14Å; V138-I140 PolarHBondContact O-N 2.96Å; I140-S142 PolarHBondContact O-N 3.28Å
141S24.6Very low28Very low102 Ų102133.1 Ų133.171%0.71377%0.773SS**  trans-68.6102.7167.9-77.10000108.1S139 M143S139-S141 PolarHBondContact O-N 3.04Å; S141-M143 PolarHBondContact O-N 3.39Å
142S23.8Very low27.9Very low112 Ų112138.1 Ų138.178%0.78378%0.776SS**  trans-44.898.9157.1164.60000110.3I140I140-S142 PolarHBondContact O-N 3.28Å
143M29Very low27.7Very low177 Ų177138 Ų13887%0.87278%0.775SS**  trans-107.1110.2159.7-69.6-137.8-62.800108.5S141S141-M143 PolarHBondContact O-N 3.39Å
144R26.8Very low27.6Very low189 Ų189132.3 Ų132.371%0.71377%0.766SS**PPolyproline II helixtrans-61.6153.2169.7-103.5174.5176.1173.60.4110.6T623R144-T623 HydrophobicContact CG-CG2 3.77Å
145P31.4Very low27.6Very low65 Ų65133 Ų13342%0.42277%0.766SS.*PPolyproline II helixtrans-72.1129.8-167.3-10.226.1000111.4Q622P145-Q622 HydrophobicContact CG-CB 4.16Å
146N28Very low27.5Very low159 Ų159129.9 Ų129.985%0.8576%0.764SS**PPolyproline II helixtrans-84.6122.8164.6-143.9-21.8000108
147A30.3Very low27.7Very low90 Ų90131.7 Ų131.774%0.74476%0.763SS**  trans-95.695.4-177.300000109.1
148D31.4Very low27.7Very low157 Ų157132.6 Ų132.684%0.8477%0.767SS**  trans-138.6102.8153-88.3-55.4000106.7
149E27.3Very low27.7Very low180 Ų180132.8 Ų132.884%0.84177%0.768SS**  trans-76.9179.9175.1-128.2-148.5150.900110.8
150P40.7Very low27.7Very low96 Ų96132 Ų13262%0.62376%0.763SS**  cis-129.3161.5-27.214.18.9000113.2
151S26.7Very low27.7Very low114 Ų114129.8 Ų129.880%0.79776%0.76SS**  174.2117.1109.8-162.20000110.6
152Y23.8Very low27.8Very low216 Ų216130.1 Ų130.185%0.84776%0.763SS**  trans-20.7139.5135.9-101.6-107.1000111.8
153V24.9Very low28Very low138 Ų138130.2 Ų130.284%0.83676%0.758SS**  -170.2146.755-175.70000105.9
154G23.7Very low28.1Very low57 Ų57129.7 Ų129.759%0.58876%0.758SS**  trans137.487.6145.400000118
155T26Very low28Very low137 Ų137127.5 Ų127.584%0.8476%0.759SS**  trans61.1101.2135.755.50000119.1
156S26.4Very low27.8Very low122 Ų122131 Ų13185%0.85377%0.774SS**  trans-144.3150.8139.2-88.20000110.4
157P30.5Very low28Very low109 Ų109128.5 Ų128.571%0.70878%0.776SS**  -99.7160.1-116.734.1-35.8000114.4V159P157-V159 PolarHBondContact O-N 2.96Å
158L25.6Very low28Very low175 Ų175128.2 Ų128.292%0.91677%0.773SS**  trans-45.595162.3-73154.6000111.2S160L158-S160 PolarHBondContact O-N 3.44Å
159V28.3Very low28Very low118 Ų118125.8 Ų125.872%0.71577%0.769SS**  trans-77.1100.2156.8-1750000106.2P157 C161P157-V159 PolarHBondContact O-N 2.96Å; V159-C161 VanDerWaalsContact C-N 3.28Å; V159-C161 PolarHBondContact O-N 2.87Å
160S25Very low28.3Very low101 Ų101123.7 Ų123.771%0.70676%0.762SS**  trans-65.588.2168.9-155.20000108.3L158 S162L158-S160 PolarHBondContact O-N 3.44Å; S160-S162 PolarHBondContact O-N 3.49Å
161C27.9Very low27.8Very low111 Ų111128.2 Ų128.275%0.7578%0.775SS**  trans-7668.3170.1-70.20000109.6V159V159-C161 VanDerWaalsContact C-N 3.28Å; V159-C161 PolarHBondContact O-N 2.87Å
162S26.5Very low27.9Very low110 Ų110130 Ų13077%0.76978%0.775SS**  trans-104.163.7155.8-67.30000107.7S160S160-S162 PolarHBondContact O-N 3.49Å
163T27.9Very low28.2Very low113 Ų113125.1 Ų125.169%0.69377%0.77SS**  trans-124.4109.3161.9-410000105.9L165T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.35Å
164I30.7Very low28.3Very low167 Ų167126.6 Ų126.686%0.85677%0.767SS**  trans-61.4100.9171-63.4165.6000105.3D166I164-D166 PolarHBondContact O-N 2.84Å
165L25.6Very low28.6Very low143 Ų143130.1 Ų130.175%0.74978%0.777SS**  trans-73.1109.6169.5-82151.6000106.8T163 A167T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.35Å; L165-A167 PolarHBondContact O-N 3.49Å
166D26.6Very low28.8Very low137 Ų137129.5 Ų129.573%0.73377%0.767SS**  trans-66.2109.4171.6-156-9.4000107.9I164 A168I164-D166 PolarHBondContact O-N 2.84Å; D166-A168 PolarHBondContact O-N 3.5Å
167A32.6Very low28.9Very low108 Ų108128.9 Ų128.989%0.89376%0.76SS**THydrogen-bonded Turntrans-76.322.9-168.600000114.1L165L165-A167 PolarHBondContact O-N 3.49Å
168A30.8Very low28.8Very low83 Ų83132.4 Ų132.469%0.68677%0.765SS**THydrogen-bonded Turntrans-110.59.1179.800000114.1D166D166-A168 PolarHBondContact O-N 3.5Å
169S31Very low29.3Very low107 Ų107131.4 Ų131.475%0.74876%0.759SS**SBendtrans-138.527.9-173.6-71.90000117.1
170I32.4Very low29.6Very low135 Ų135132.2 Ų132.269%0.69277%0.768SS**  trans-132.9104.2163.2-54.8176.8000108.8L172I170-L172 PolarHBondContact O-N 3.26Å; I170-L172 VanDerWaalsContact O-N 3.14Å
171E30Very low30.1Very low191 Ų191132.9 Ų132.989%0.89376%0.76SS**  trans-58.3109.9162.3-79178.5149.600108.2
172L29.8Very low30.6Very low152 Ų152132.1 Ų132.180%0.79675%0.748SS**  trans-76.4125.6173.8-84.5145.4000108.9I170 E174I170-L172 PolarHBondContact O-N 3.26Å; I170-L172 VanDerWaalsContact O-N 3.14Å; L172-E174 PolarHBondContact O-N 2.93Å
173P29.3Very low31.4Very low114 Ų114131.3 Ų131.374%0.7474%0.74SS**  trans-65.5130.4166.326.4-29.3000109.1V175P173-V175 PolarHBondContact O-N 3.25Å; P173-V175 VanDerWaalsContact O-N 3.09Å
174E28.7Very low32.3Very low169 Ų169131.7 Ų131.779%0.7974%0.738SS**  trans-56.7100-174-161.8175.7-163.100112.2L172 I176L172-E174 PolarHBondContact O-N 2.93Å; E174-I176 HydrophobicContact CG-CD1 4.16Å; E174-I176 HydrophobicContact CG-CG1 4.3Å
175V28Very low32.9Very low131 Ų131129.7 Ų129.779%0.79473%0.725SS**  trans-12387.5158.8-173.50000107.8P173 P177P173-V175 PolarHBondContact O-N 3.25Å; P173-V175 VanDerWaalsContact O-N 3.09Å; V175-P177 WeakPolarHBondContact O-CD 3.48Å
176I32Very low33.4Very low123 Ų123128.6 Ų128.663%0.63171%0.714SS**  trans-76.4119.7165.8-62.9167.3000107.3E174 K178E174-I176 HydrophobicContact CG-CD1 4.16Å; E174-I176 HydrophobicContact CG-CG1 4.3Å; I176-K178 HydrophobicContact CG2-CG 4.28Å
177P27.4Very low34Very low109 Ų109128.2 Ų128.271%0.70871%0.709SS**  -124.6112.8128.928.9-16.4000109.6V175 I179V175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-I179 PolarHBondContact O-N 3.47Å; P177-I179 VanDerWaalsContact O-N 3.12Å
178K28.8Very low34.5Very low184 Ų184125.8 Ų125.880%0.869%0.689SS**  trans-18.2106.4151.4-59.6168.4179.8177.50112.3I176I176-K178 HydrophobicContact CG2-CG 4.28Å
179I37.1Very low35Very low154 Ų154129.3 Ų129.379%0.7969%0.689SS**  -164.175.1123-62.9116000105.7P177P177-I179 PolarHBondContact O-N 3.47Å; P177-I179 VanDerWaalsContact O-N 3.12Å
180C34.3Very low35.2Very low135 Ų135131.2 Ų131.291%0.91269%0.69SS**  trans-102.169.5151.9-72.40000106.6
181E35.5Very low36Very low114 Ų114129.9 Ų129.953%0.53369%0.688SS.*  trans-101.1100.2158-77.3-169.2157.400106.2P183 K186E181-P183 WeakPolarHBondContact O-CD 3.47Å; E181-P183 VanDerWaalsContact O-N 3.17Å; E181-K186 WeakPolarHBondContact OE2-CE 3.34Å; E181-K186 IonicContact OE2-NZ 2.63Å; E181-K186 PolarHBondContact OE2-NZ 3.27Å
182N37.5Very low36.6Very low95 Ų95128.7 Ų128.751%0.50868%0.683SS.*  trans-54.4119.2171-169.6-16.4000107.6L184 E185N182-L184 PolarHBondContact O-N 2.9Å; N182-L184 PolarHBondContact OD1-N 3.39Å; N182-E185 WeakPolarHBondContact O-CB 3.35Å; N182-E185 PolarHBondContact O-N 2.86Å
183P42.6Very low36.8Very low93 Ų93130.2 Ų130.260%0.60469%0.686SS**Hα-helixtrans-60.3-17-177.122.3-32.7000112.8E181 E185 M187E181-P183 WeakPolarHBondContact O-CD 3.47Å; E181-P183 VanDerWaalsContact O-N 3.17Å; P183-E185 VanDerWaalsContact C-N 3.34Å; P183-M187 WeakPolarHBondContact O-CG 3.47Å; P183-M187 PolarHBondContact O-N 3.34Å
184L48.2Very low36.9Very low121 Ų121128.6 Ų128.663%0.63468%0.682SS**Hα-helixtrans-65.7-33.1170.3-112.676.8000113.2N182 M187 A188N182-L184 PolarHBondContact O-N 2.9Å; N182-L184 PolarHBondContact OD1-N 3.39Å; L184-M187 HydrophobicContact CD1-CE 4.33Å; L184-M187 PolarHBondContact O-N 2.92Å; L184-A188 PolarHBondContact O-N 3.39Å
185E42.3Very low37Very low126 Ų126127.5 Ų127.559%0.58968%0.681SS**Hα-helixtrans-81.2-31.2-173.8-149.3166.2-166.700111.8N182 P183 A188 K189N182-E185 WeakPolarHBondContact O-CB 3.35Å; N182-E185 PolarHBondContact O-N 2.86Å; P183-E185 VanDerWaalsContact C-N 3.34Å; E185-A188 PolarHBondContact O-N 3.23Å; E185-K189 PolarHBondContact O-N 3.3Å
186K36.9Very low37.4Very low120 Ų120127.1 Ų127.152%0.52268%0.681SS.*Hα-helixtrans-68-35.5168.2-104.9175.3171.71650112.6E181 A188 L190E181-K186 WeakPolarHBondContact OE2-CE 3.34Å; E181-K186 IonicContact OE2-NZ 2.63Å; E181-K186 PolarHBondContact OE2-NZ 3.27Å; K186-A188 VanDerWaalsContact C-N 3.35Å; K186-L190 WeakPolarHBondContact O-CB 3.44Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.5Å; K186-L190 VanDerWaalsContact O-N 3.13Å
187M38.1Very low37.4Very low128 Ų128131.6 Ų131.663%0.63170%0.696SS**Hα-helixtrans-71.3-30.8173-70.4-165.9-65.600112.3P183 L184 T191P183-M187 WeakPolarHBondContact O-CG 3.47Å; P183-M187 PolarHBondContact O-N 3.34Å; L184-M187 HydrophobicContact CD1-CE 4.33Å; L184-M187 PolarHBondContact O-N 2.92Å; M187-T191 PolarHBondContact O-OG1 3.2Å
188A44.5Very low37.6Very low57 Ų57135 Ų13547%0.47170%0.703SS.*Hα-helixtrans-73.1-42174.700000112.6L184 E185 K186 T191L184-A188 PolarHBondContact O-N 3.39Å; E185-A188 PolarHBondContact O-N 3.23Å; K186-A188 VanDerWaalsContact C-N 3.35Å; A188-T191 PolarHBondContact O-N 3.21Å; A188-T191 PolarHBondContact O-OG1 3.5Å
189K41.1Very low37.8Very low158 Ų158131 Ų13169%0.68770%0.696SS**Hα-helixtrans-73.7-29179.1-89.9-176.2173.7-178.70114.7E185 T191 E192E185-K189 PolarHBondContact O-N 3.3Å; K189-T191 PolarHBondContact O-N 3.01Å; K189-E192 PolarHBondContact O-N 3.5Å
190L35.9Very low37.5Very low147 Ų147129.9 Ų129.977%0.7770%0.698SS**THydrogen-bonded Turntrans-71.5-8174-76.6168.9000113.6K186K186-L190 WeakPolarHBondContact O-CB 3.44Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.5Å; K186-L190 VanDerWaalsContact O-N 3.13Å
191T47.8Very low37.4Very low107 Ų107131.9 Ų131.966%0.65670%0.696SS**THydrogen-bonded Turntrans-92-10.3174.313.40000114.8M187 A188 K189M187-T191 PolarHBondContact O-OG1 3.2Å; A188-T191 PolarHBondContact O-N 3.21Å; A188-T191 PolarHBondContact O-OG1 3.5Å; K189-T191 PolarHBondContact O-N 3.01Å
192E43.3Very low37.4Very low166 Ų166135.4 Ų135.478%0.77671%0.71SS**THydrogen-bonded Turntrans-103.7-24-171.6-150.3172.2-169.300114.8K189K189-E192 PolarHBondContact O-N 3.5Å
193E33.6Very low37.2Very low183 Ų183140.4 Ų140.486%0.85573%0.73SS**SBendtrans-111.29.5-170.2-86-86.5142.400115.9
194A32.4Very low36.8Very low81 Ų81141.9 Ų141.967%0.66974%0.738SS**SBendtrans-134.836.8-178.400000115
195L30.9Very low36.4Very low146 Ų146145.8 Ų145.876%0.76475%0.749SS**SBendtrans-119.9119.1160.1-71.1173.8000109F197L195-F197 PolarHBondContact O-N 3.41Å
196P36Very low36.4Very low122 Ų122148.2 Ų148.279%0.79277%0.766SS**  trans-60.8126.9170.824.7-30.5000108.8E198P196-E198 PolarHBondContact O-N 3.25Å; P196-E198 VanDerWaalsContact O-N 3.09Å
197F32Very low36.2Very low217 Ų217145.1 Ų145.195%0.95277%0.768SS**  trans-50.9110.6172.4-95.5-102.4000110.6L195L195-F197 PolarHBondContact O-N 3.41Å
198E30.3Very low36.2Very low181 Ų181143.3 Ų143.385%0.84677%0.768SS**  trans-120.7134155-122.3-141.2134.400109.3P196P196-E198 PolarHBondContact O-N 3.25Å; P196-E198 VanDerWaalsContact O-N 3.09Å
199P32.8Very low36.5Very low100 Ų100146.3 Ų146.365%0.64978%0.782SS**  trans-76.6161.1-162.730.6-33.6000113.6M201P199-M201 PolarHBondContact O-N 3.34Å
200P31.8Very low36.8Very low130 Ų130147.3 Ų147.384%0.84478%0.782SS**  trans-66.6107.4-164.725.7-34.3000112.6K202P200-K202 PolarHBondContact O-N 3.36Å
201M31.9Very low37Very low177 Ų177144.8 Ų144.887%0.87277%0.769SS**  trans-63.9119.8165.6-84.7-177.548.600109.9P199 Q203P199-M201 PolarHBondContact O-N 3.34Å; M201-Q203 PolarHBondContact O-N 2.97Å
202K35.3Very low36.7Very low188 Ų188149.7 Ų149.782%0.81778%0.776SS**  trans-43.3125.9177.8-63.8176179.5178.10111.2P200 T204P200-K202 PolarHBondContact O-N 3.36Å; K202-T204 VanDerWaalsContact C-N 3.35Å; K202-T204 PolarHBondContact O-N 3.1Å; K202-T204 PolarHBondContact O-OG1 3.43Å
203Q33.8Very low36.9Very low201 Ų201147 Ų14794%0.93978%0.775SS**  trans-4995.5171.8-65.8-179.314.800110.2M201 K205M201-Q203 PolarHBondContact O-N 2.97Å; Q203-K205 PolarHBondContact O-N 3.2Å
204T34.5Very low37.4Very low123 Ų123145.2 Ų145.276%0.75576%0.764SS**  trans-85.9104.2171.7-42.60000104.9K202 L206K202-T204 VanDerWaalsContact C-N 3.35Å; K202-T204 PolarHBondContact O-N 3.1Å; K202-T204 PolarHBondContact O-OG1 3.43Å; T204-L206 PolarHBondContact O-N 3.24Å
205K39.5Very low38.1Very low203 Ų203145.7 Ų145.788%0.88375%0.751SS**  trans-26.9103.6178.4-72.6172.6177177.90111.1Q203 G207Q203-K205 PolarHBondContact O-N 3.2Å; K205-G207 PolarHBondContact O-N 3.4Å
206L41.6Very low39.3Very low177 Ų177142.8 Ų142.893%0.92774%0.74SS**  trans-57.5109.4171.4-72.1165.2000107.1T204T204-L206 PolarHBondContact O-N 3.24Å
207G33.6Very low40.2Very low55 Ų55140 Ų14057%0.56772%0.719SS**  trans-55.6146.6-177.500000111.4K205K205-G207 PolarHBondContact O-N 3.4Å
208S38.1Very low41.5Very low91 Ų91136.2 Ų136.264%0.63671%0.708SS**  trans-49.7156.6-177.2-750000113.1R210 D211S208-R210 PolarHBondContact O-N 3.48Å; S208-D211 PolarHBondContact O-N 3.39Å
209P49.7Very low43.2Very low119 Ų119133.9 Ų133.977%0.77370%0.697SS**G310 helixtrans-51.9-10.2-176.1-28.635000117D211P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 3.07Å
210R48.4Very low45.2Very low179 Ų179130.5 Ų130.568%0.67567%0.673SS**G310 helixtrans-66.4-21.8177.7-134172.8-174.4154.1-1.6113.8S208S208-R210 PolarHBondContact O-N 3.48Å
211D39.7Very low47.5Very low94 Ų94128 Ų12850%0.50366%0.656SS.*G310 helixtrans-88.9-10.2-177.8-71.7-41.1000114.7S208 P209 S213 K214S208-D211 PolarHBondContact O-N 3.39Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 3.07Å; D211-S213 VanDerWaalsContact C-N 3.25Å; D211-S213 PolarHBondContact O-N 3.49Å; D211-K214 VanDerWaalsContact OD1-CE 3.31Å; D211-K214 WeakPolarHBondContact OD1-CE 3.31Å
212R42.2Very low49.6Very low211 Ų211124.9 Ų124.980%0.79665%0.649SS**G310 helixtrans-70.4-17.5176.8-83.4-177.2163.9-179.4-4.3114.4K214R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.02Å
213S46.9Very low51.5Low108 Ų108119.2 Ų119.276%0.75564%0.637SS**G310 helixtrans-84.21.1-175.8-177.20000114.3D211D211-S213 VanDerWaalsContact C-N 3.25Å; D211-S213 PolarHBondContact O-N 3.49Å
214K43.9Very low53.6Low146 Ų146114.5 Ų114.564%0.63562%0.615SS**G310 helixtrans-108.25.9-174.7-46179.7-163.9-77.40114.2D211 R212 T216D211-K214 VanDerWaalsContact OD1-CE 3.31Å; D211-K214 WeakPolarHBondContact OD1-CE 3.31Å; R212-K214 VanDerWaalsContact C-N 3.31Å; R212-K214 PolarHBondContact O-N 3.02Å; K214-T216 VanDerWaalsContact C-N 3.33Å; K214-T216 PolarHBondContact O-N 3.09Å
215F47.2Very low55.6Low91 Ų91112.9 Ų112.940%0.39960%0.595SS.*  trans-68.498.4169.4-67.5-71.6000108Q219 L220 R228F215-Q219 HydrophobicContact CD1-CB 3.58Å; F215-Q219 HydrophobicContact CD1-CG 4.27Å; F215-Q219 HydrophobicContact CE1-CB 4.3Å; F215-Q219 VanDerWaalsContact CE1-OE1 3.26Å; F215-Q219 HydrophobicContact CG-CB 4.49Å; F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CB-CG 4.41Å; F215-R228 PolarHBondContact O-NH1 3.03Å
216T56.8Low57.6Low86 Ų86109.7 Ų109.753%0.52858%0.583SS.*  trans-51.1144.8155.432.30000108.1K214 D218 Q219K214-T216 VanDerWaalsContact C-N 3.33Å; K214-T216 PolarHBondContact O-N 3.09Å; T216-D218 PolarHBondContact O-N 3.47Å; T216-Q219 PolarHBondContact O-N 3.43Å
217D54.5Low59.5Low64 Ų64107.6 Ų107.634%0.34257%0.569SS.*G310 helixtrans-52.7-20.2-172.8-88.8-58000114.1Q219 L220 R225 R228D217-Q219 VanDerWaalsContact C-N 3.34Å; D217-Q219 PolarHBondContact O-N 3.31Å; D217-L220 PolarHBondContact O-N 3.31Å; D217-R225 PolarHBondContact O-NE 3.18Å; D217-R225 PolarHBondContact O-NH2 3.5Å; D217-R228 IonicContact OD1-NH1 3.57Å; D217-R228 IonicContact OD2-NH1 3.9Å
218D59.8Low62Low137 Ų137109.7 Ų109.773%0.73356%0.56SS**G310 helixtrans-65.2-27.4177.2-58.6-52.1000114.9T216T216-D218 PolarHBondContact O-N 3.47Å
219Q66Low63.9Low131 Ų131111.1 Ų111.161%0.61256%0.556SS**G310 helixtrans-90.1-8179.4-70.6-167.849.900113.6F215 T216 D217F215-Q219 HydrophobicContact CD1-CB 3.58Å; F215-Q219 HydrophobicContact CD1-CG 4.27Å; F215-Q219 HydrophobicContact CE1-CB 4.3Å; F215-Q219 VanDerWaalsContact CE1-OE1 3.26Å; F215-Q219 HydrophobicContact CG-CB 4.49Å; T216-Q219 PolarHBondContact O-N 3.43Å; D217-Q219 VanDerWaalsContact C-N 3.34Å; D217-Q219 PolarHBondContact O-N 3.31Å
220L75Confident65.6Low29 Ų29109.7 Ų109.715%0.15254%0.539CS..SBendtrans-85.5136.1178.2-65.8170.5000109.6F215 D217 Q224F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CB-CG 4.41Å; D217-L220 PolarHBondContact O-N 3.31Å; L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD2-CB 4.02Å; L220-Q224 HydrophobicContact CG-CB 4.5Å
221T79.3Confident67.1Low78 Ų78103 Ų10348%0.47952%0.522SS..  trans-56.3151.6167.654.30000110.1A223 Q224 R225T221-A223 PolarHBondContact O-N 3.43Å; T221-A223 VanDerWaalsContact O-N 3.08Å; T221-Q224 PolarHBondContact O-N 2.82Å; T221-Q224 PolarHBondContact OG1-OE1 3.07Å; T221-R225 PolarHBondContact O-N 3.02Å
222P75.2Confident69.2Low111 Ų111103.3 Ų103.372%0.72152%0.523SS*.Hα-helixtrans-50.8-37.3179-28.935.2000113.6R225 Q226P222-R225 PolarHBondContact O-N 3.45Å; P222-Q226 PolarHBondContact O-N 3.15Å
223A75.5Confident71Confident69 Ų6997.8 Ų97.857%0.5751%0.506SS*.Hα-helixtrans-66.2-41.7176.600000113.3T221 R225 Q226 H227T221-A223 PolarHBondContact O-N 3.43Å; T221-A223 VanDerWaalsContact O-N 3.08Å; A223-R225 VanDerWaalsContact C-N 3.35Å; A223-Q226 PolarHBondContact O-N 3.25Å; A223-H227 PolarHBondContact O-N 3.11Å
224Q77.8Confident72.3Confident103 Ų10399.8 Ų99.848%0.48150%0.497SS..Hα-helixtrans-68.2-36.2175.5-82.1175.6-29.500112.1L220 T221 H227 R228L220-Q224 HydrophobicContact CB-CB 4.03Å; L220-Q224 HydrophobicContact CD2-CB 4.02Å; L220-Q224 HydrophobicContact CG-CB 4.5Å; T221-Q224 PolarHBondContact O-N 2.82Å; T221-Q224 PolarHBondContact OG1-OE1 3.07Å; Q224-H227 PolarHBondContact O-N 3.28Å; Q224-R228 WeakPolarHBondContact O-CB 3.24Å; Q224-R228 PolarHBondContact O-N 3.37Å
225R76.4Confident73.9Confident89 Ų8997.9 Ų97.934%0.33649%0.493SS..Hα-helixtrans-62.4-44175.3-166.4-178.2-63.3170.20.1111.1D217 T221 P222 A223 R228 Q229D217-R225 PolarHBondContact O-NE 3.18Å; D217-R225 PolarHBondContact O-NH2 3.5Å; T221-R225 PolarHBondContact O-N 3.02Å; P222-R225 PolarHBondContact O-N 3.45Å; A223-R225 VanDerWaalsContact C-N 3.35Å; R225-R228 PolarHBondContact O-N 3.24Å; R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.25Å
226Q82.8Confident75.2Confident135 Ų13598.4 Ų98.463%0.63150%0.496SS*.Hα-helixtrans-61.8-48.4175.3-174.31791.700112P222 A223 R228 Q229 E230P222-Q226 PolarHBondContact O-N 3.15Å; A223-Q226 PolarHBondContact O-N 3.25Å; Q226-R228 VanDerWaalsContact C-N 3.27Å; Q226-R228 PolarHBondContact O-N 3.14Å; Q226-Q229 PolarHBondContact O-N 2.97Å; Q226-E230 PolarHBondContact O-N 3.35Å
227H81.6Confident75.8Confident133 Ų13398.1 Ų98.162%0.61649%0.492SS*.Hα-helixtrans-61.1-36.6177.8-176.5-80.1000112.1A223 Q224 A231A223-H227 PolarHBondContact O-N 3.11Å; Q224-H227 PolarHBondContact O-N 3.28Å; H227-A231 WeakPolarHBondContact O-CB 3.47Å; H227-A231 PolarHBondContact O-N 3.3Å
228R84.4Confident76.6Confident100 Ų10099.7 Ų99.738%0.37750%0.5SS..Hα-helixtrans-66.9-44.4175.3-175.3-177.3-176.9174.54.6112F215 D217 Q224 R225 Q226 A231 L232F215-R228 PolarHBondContact O-NH1 3.03Å; D217-R228 IonicContact OD1-NH1 3.57Å; D217-R228 IonicContact OD2-NH1 3.9Å; Q224-R228 WeakPolarHBondContact O-CB 3.24Å; Q224-R228 PolarHBondContact O-N 3.37Å; R225-R228 PolarHBondContact O-N 3.24Å; Q226-R228 VanDerWaalsContact C-N 3.27Å; Q226-R228 PolarHBondContact O-N 3.14Å; R228-A231 PolarHBondContact O-N 3.23Å; R228-L232 HydrophobicContact CG-CD1 4.25Å; R228-L232 WeakPolarHBondContact O-CG 3.42Å; R228-L232 PolarHBondContact O-N 3.46Å
229Q79.3Confident77.1Confident121 Ų121100.5 Ų100.557%0.56550%0.497SS*.Hα-helixtrans-62.9-42.2177.2-75.9177.1-300111.6R225 Q226 L232 Q233R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.25Å; Q226-Q229 PolarHBondContact O-N 2.97Å; Q229-L232 PolarHBondContact O-N 3.39Å; Q229-Q233 PolarHBondContact O-N 3.38Å
230E84.1Confident77Confident88 Ų8899.4 Ų99.441%0.41150%0.495SS..Hα-helixtrans-63.7-42.2175.9-169.1-173163.600112.1Q226 L232 Q233 R234Q226-E230 PolarHBondContact O-N 3.35Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.81Å; E230-Q233 PolarHBondContact O-N 2.99Å; E230-R234 VanDerWaalsContact O-CG 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 2.88Å; E230-R234 IonicContact OE1-CZ 3.32Å; E230-R234 VanDerWaalsContact OE1-CZ 3.32Å; E230-R234 IonicContact OE1-NE 3.19Å; E230-R234 PolarHBondContact OE1-NE 2.98Å; E230-R234 IonicContact OE1-NH2 2.65Å; E230-R234 PolarHBondContact OE1-NH2 3.18Å
231A81.6Confident75.7Confident38 Ų38106.7 Ų106.731%0.31453%0.526SS..Hα-helixtrans-63.6-39.4176.600000112.2H227 R228 R234 I235H227-A231 WeakPolarHBondContact O-CB 3.47Å; H227-A231 PolarHBondContact O-N 3.3Å; R228-A231 PolarHBondContact O-N 3.23Å; A231-R234 PolarHBondContact O-N 3.48Å; A231-I235 WeakPolarHBondContact O-CD1 3.42Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 2.79Å
232L83.2Confident74.7Confident101 Ų101109.3 Ų109.353%0.52953%0.531SS..Hα-helixtrans-67.9-40.9176-70.9172.2000111.8R228 Q229 E230 I235 E236R228-L232 HydrophobicContact CG-CD1 4.25Å; R228-L232 WeakPolarHBondContact O-CG 3.42Å; R228-L232 PolarHBondContact O-N 3.46Å; Q229-L232 PolarHBondContact O-N 3.39Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.81Å; L232-I235 PolarHBondContact O-N 3.44Å; L232-E236 PolarHBondContact O-N 3.21Å
233Q80Confident73Confident95 Ų95106.2 Ų106.244%0.44452%0.519SS..Hα-helixtrans-61.3-44.8174.1-173.362.457.200111.3Q229 E230 I235 E236 D237Q229-Q233 PolarHBondContact O-N 3.38Å; E230-Q233 PolarHBondContact O-N 2.99Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 PolarHBondContact O-N 3.44Å; Q233-E236 CarbonylContact O-C 3.46Å; Q233-E236 PolarHBondContact O-N 3.13Å; Q233-D237 PolarHBondContact NE2-OD1 2.96Å; Q233-D237 VanDerWaalsContact O-CG 3.23Å; Q233-D237 PolarHBondContact O-N 3.14Å
234R74.3Confident71.5Confident151 Ų151108.1 Ų108.157%0.5752%0.518SS*.Hα-helixtrans-61-36.9176.1-72172.9-176.4-129.78.2112.3E230 A231 E236 L238E230-R234 VanDerWaalsContact O-CG 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 2.88Å; E230-R234 IonicContact OE1-CZ 3.32Å; E230-R234 VanDerWaalsContact OE1-CZ 3.32Å; E230-R234 IonicContact OE1-NE 3.19Å; E230-R234 PolarHBondContact OE1-NE 2.98Å; E230-R234 IonicContact OE1-NH2 2.65Å; E230-R234 PolarHBondContact OE1-NH2 3.18Å; A231-R234 PolarHBondContact O-N 3.48Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-L238 WeakPolarHBondContact O-CB 3.49Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.37Å
235I77.3Confident70Confident105 Ų105106.3 Ų106.354%0.53852%0.516SS..Hα-helixtrans-66.1-39175-69.5163.7000110.5A231 L232 Q233 K239A231-I235 WeakPolarHBondContact O-CD1 3.42Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 2.79Å; L232-I235 PolarHBondContact O-N 3.44Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 PolarHBondContact O-N 3.44Å; I235-K239 WeakPolarHBondContact O-CB 3.38Å; I235-K239 PolarHBondContact O-N 2.9Å
236E73.6Confident68.6Low102 Ų102106.6 Ų106.648%0.47753%0.532SS..Hα-helixtrans-69.7-41.4176.1-171.4160.2-133.400112.4L232 Q233 R234 L238 K239 N240L232-E236 PolarHBondContact O-N 3.21Å; Q233-E236 CarbonylContact O-C 3.46Å; Q233-E236 PolarHBondContact O-N 3.13Å; R234-E236 VanDerWaalsContact C-N 3.34Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.2Å; E236-K239 CarbonylContact O-C 3.58Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.33Å; E236-K239 PolarHBondContact O-N 3.44Å; E236-K239 VanDerWaalsContact O-N 3.09Å; E236-N240 WeakPolarHBondContact O-CB 3.34Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.27Å; E236-N240 PolarHBondContact O-ND2 3.07Å
237D70.8Confident66.8Low81 Ų81107.1 Ų107.143%0.43353%0.534SS..Hα-helixtrans-62.3-42.1174.3-64.6-17.1000111Q233 K239 N240 F241Q233-D237 PolarHBondContact NE2-OD1 2.96Å; Q233-D237 VanDerWaalsContact O-CG 3.23Å; Q233-D237 PolarHBondContact O-N 3.14Å; D237-K239 VanDerWaalsContact C-N 3.34Å; D237-N240 PolarHBondContact O-N 3.3Å; D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.94Å
238L70Confident65Low96 Ų96106.3 Ų106.350%0.50353%0.531SS..Hα-helixtrans-64-39.6172.2-74.7170.8000111.3R234 E236 N240 F241 F242R234-L238 WeakPolarHBondContact O-CB 3.49Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.37Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.2Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.38Å; L238-F241 PolarHBondContact O-N 2.7Å; L238-F242 HydrophobicContact CB-CD2 4.39Å; L238-F242 HydrophobicContact CB-CE2 4.48Å; L238-F242 HydrophobicContact CD2-CE2 4.43Å; L238-F242 WeakPolarHBondContact O-CB 3.46Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.18Å
239K71.1Confident63.3Low154 Ų154107.4 Ų107.467%0.6754%0.54SS*.Hα-helixtrans-65.2-35.6175.8-171.4-176.3171.5-164.30111.8I235 E236 D237 F242 G243I235-K239 WeakPolarHBondContact O-CB 3.38Å; I235-K239 PolarHBondContact O-N 2.9Å; E236-K239 CarbonylContact O-C 3.58Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.33Å; E236-K239 PolarHBondContact O-N 3.44Å; E236-K239 VanDerWaalsContact O-N 3.09Å; D237-K239 VanDerWaalsContact C-N 3.34Å; K239-F242 CarbonylContact O-C 3.52Å; K239-G243 PolarHBondContact O-N 3.2Å
240N63Low62Low109 Ų109108.4 Ų108.458%0.58355%0.545SS*.Hα-helixtrans-71.5-36.3173.5-69-28.3000111.5E236 D237 L238 G243E236-N240 WeakPolarHBondContact O-CB 3.34Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.27Å; E236-N240 PolarHBondContact O-ND2 3.07Å; D237-N240 PolarHBondContact O-N 3.3Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.38Å; N240-G243 VanDerWaalsContact O-CA 3.31Å; N240-G243 WeakPolarHBondContact O-CA 3.49Å; N240-G243 PolarHBondContact O-N 3.16Å
241F49.3Very low60.5Low181 Ų181107.9 Ų107.979%0.79455%0.548SS*.Hα-helixtrans-71.1-38.1175.3-154.7-92.9000112.3D237 L238 G243D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.94Å; L238-F241 PolarHBondContact O-N 2.7Å; F241-G243 PolarHBondContact O-N 3.27Å
242F56.6Low59Low134 Ų134110 Ų11059%0.58856%0.556SS**SBendtrans-76.7-2.5166.9-72.5-63.5000112.9L238 K239 M244L238-F242 HydrophobicContact CB-CD2 4.39Å; L238-F242 HydrophobicContact CB-CE2 4.48Å; L238-F242 HydrophobicContact CD2-CE2 4.43Å; L238-F242 WeakPolarHBondContact O-CB 3.46Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.18Å; K239-F242 CarbonylContact O-C 3.52Å; F242-M244 PolarHBondContact O-N 3.11Å
243G41.1Very low57.4Low46 Ų46111 Ų11147%0.47456%0.562SS.*  trans-68.955.817000000111.3K239 N240 F241 S245K239-G243 PolarHBondContact O-N 3.2Å; N240-G243 VanDerWaalsContact O-CA 3.31Å; N240-G243 WeakPolarHBondContact O-CA 3.49Å; N240-G243 PolarHBondContact O-N 3.16Å; F241-G243 PolarHBondContact O-N 3.27Å; G243-S245 PolarHBondContact O-N 3.1Å
244M44.2Very low55.9Low109 Ų109109.4 Ų109.454%0.53757%0.565SS.*  trans-36.8114.1143.1-69178.4-7900106.6F242F242-M244 PolarHBondContact O-N 3.11Å
245S44.6Very low54.3Low64 Ų64107.8 Ų107.845%0.44857%0.565SS.*  trans-49.5145.3-172.665.50000109.9G243 Q247 Q248G243-S245 PolarHBondContact O-N 3.1Å; S245-Q247 PolarHBondContact O-N 3.01Å; S245-Q248 PolarHBondContact O-N 3.12Å
246S47.3Very low52.8Low95 Ų95106.8 Ų106.866%0.66456%0.561SS**Hα-helixtrans-46.1-20.5175.749.10000114.3Q250S246-Q250 PolarHBondContact O-N 3.27Å
247Q44.5Very low51.5Low147 Ų147105 Ų10569%0.68756%0.564SS**Hα-helixtrans-70.9-34.9176-145173.921.400114.1S245 T251S245-Q247 PolarHBondContact O-N 3.01Å; Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.46Å
248Q45.2Very low50.3Low116 Ų116104.3 Ų104.354%0.54257%0.569SS.*Hα-helixtrans-73.3-36.5176.5-95.8-178.3-6.400111.9S245 T251 V252S245-Q248 PolarHBondContact O-N 3.12Å; Q248-T251 PolarHBondContact O-N 3.11Å; Q248-V252 WeakPolarHBondContact O-CG2 3.46Å; Q248-V252 PolarHBondContact O-N 3.47Å
249Q47.8Very low49.2Very low122 Ų122101.4 Ų101.457%0.5756%0.559SS**Hα-helixtrans-68.7-39.7176.2-79.3-180-1.200112.6T251 V252 L253Q249-T251 PolarHBondContact O-N 3.19Å; Q249-V252 PolarHBondContact O-N 2.94Å; Q249-L253 WeakPolarHBondContact O-CB 3.44Å; Q249-L253 PolarHBondContact O-N 2.86Å
250Q51.8Low47.8Very low143 Ų14397.9 Ų97.967%0.66856%0.558SS**Hα-helixtrans-66.8-35.7176-80.3-179.41.500112.7S246 L253 A254S246-Q250 PolarHBondContact O-N 3.27Å; Q250-L253 PolarHBondContact O-N 3.25Å; Q250-A254 WeakPolarHBondContact O-CB 3.37Å; Q250-A254 PolarHBondContact O-N 2.85Å
251T54Low46.8Very low76 Ų7697 Ų9747%0.46657%0.567SS.*Hα-helixtrans-66.6-40.9177.6-53.10000111.7Q247 Q248 Q249 M255Q247-T251 PolarHBondContact O-N 3.26Å; Q247-T251 PolarHBondContact O-OG1 3.46Å; Q248-T251 PolarHBondContact O-N 3.11Å; Q249-T251 PolarHBondContact O-N 3.19Å; T251-M255 HydrophobicContact CG2-CE 3.84Å; T251-M255 WeakPolarHBondContact O-CB 3.19Å; T251-M255 WeakPolarHBondContact O-CG 3.41Å; T251-M255 PolarHBondContact O-N 3.46Å
252V48.3Very low46.7Very low82 Ų8291.4 Ų91.450%0.49755%0.553SS.*Hα-helixtrans-69.5-40.3177.1177.20000111.4Q248 Q249 N256Q248-V252 WeakPolarHBondContact O-CG2 3.46Å; Q248-V252 PolarHBondContact O-N 3.47Å; Q249-V252 PolarHBondContact O-N 2.94Å; V252-N256 WeakPolarHBondContact O-CB 3.37Å; V252-N256 PolarHBondContact O-N 3.45Å
253L50.8Low45.5Very low123 Ų12388.3 Ų88.364%0.64456%0.56SS**Hα-helixtrans-66.5-39.4175.2-92.4145000112.5Q249 Q250 N256 A257Q249-L253 WeakPolarHBondContact O-CB 3.44Å; Q249-L253 PolarHBondContact O-N 2.86Å; Q250-L253 PolarHBondContact O-N 3.25Å; L253-N256 PolarHBondContact O-N 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.2Å
254A48.1Very low45.1Very low61 Ų6192.7 Ų92.750%0.50457%0.568SS.*Hα-helixtrans-67.9-40.6177.100000112.1Q250 A257 A258Q250-A254 WeakPolarHBondContact O-CB 3.37Å; Q250-A254 PolarHBondContact O-N 2.85Å; A254-A257 PolarHBondContact O-N 2.97Å; A254-A258 WeakPolarHBondContact O-CB 3.36Å; A254-A258 PolarHBondContact O-N 3.36Å
255M41Very low44.6Very low118 Ų11892.4 Ų92.458%0.58157%0.574SS**Hα-helixtrans-66.9-38174.3-78.1-167.1-74.600112.3T251 A258 A259T251-M255 HydrophobicContact CG2-CE 3.84Å; T251-M255 WeakPolarHBondContact O-CB 3.19Å; T251-M255 WeakPolarHBondContact O-CG 3.41Å; T251-M255 PolarHBondContact O-N 3.46Å; M255-A258 PolarHBondContact O-N 3.3Å; M255-A259 WeakPolarHBondContact O-CB 3.43Å; M255-A259 PolarHBondContact O-N 2.97Å
256N45.7Very low43.9Very low83 Ų8394 Ų9444%0.44458%0.583SS.*Hα-helixtrans-68.2-34.6175.4-79.4-17.3000112.6V252 L253 A260V252-N256 WeakPolarHBondContact O-CB 3.37Å; V252-N256 PolarHBondContact O-N 3.45Å; L253-N256 PolarHBondContact O-N 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.32Å; N256-A260 PolarHBondContact O-N 2.95Å
257A46.3Very low43.2Very low66 Ų6695.3 Ų95.355%0.54559%0.586SS.*Hα-helixtrans-69.2-38.1173.900000112.2L253 A254 A261L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.2Å; A254-A257 PolarHBondContact O-N 2.97Å; A257-A261 PolarHBondContact O-N 3.43Å
258A46.6Very low42.5Very low65 Ų6596.4 Ų96.454%0.53759%0.594SS.*Hα-helixtrans-69.1-37.7174.900000112.4A254 M255 A261 A262A254-A258 WeakPolarHBondContact O-CB 3.36Å; A254-A258 PolarHBondContact O-N 3.36Å; M255-A258 PolarHBondContact O-N 3.3Å; A258-A261 PolarHBondContact O-N 3.46Å; A258-A262 PolarHBondContact O-N 3.48Å
259A46.3Very low42Very low35 Ų3596.8 Ų96.829%0.28960%0.598SS.*Hα-helixtrans-69.6-36.2175.800000112.6M255 A261 A262 G263M255-A259 WeakPolarHBondContact O-CB 3.43Å; M255-A259 PolarHBondContact O-N 2.97Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.29Å; A259-A262 CarbonylContact O-C 3.57Å; A259-A262 PolarHBondContact O-N 3.03Å; A259-A262 VanDerWaalsContact O-N 3.1Å; A259-G263 PolarHBondContact O-N 3.3Å
260A41.2Very low41.1Very low80 Ų8096.1 Ų96.166%0.66160%0.604SS**Hα-helixtrans-64.9-32.5174.700000112.6N256 A262N256-A260 WeakPolarHBondContact O-CB 3.32Å; N256-A260 PolarHBondContact O-N 2.95Å; A260-A262 VanDerWaalsContact C-N 3.28Å; A260-A262 PolarHBondContact O-N 2.95Å
261A42.7Very low40.1Very low92 Ų9294.7 Ų94.776%0.7661%0.607SS**Hα-helixtrans-71.6-22.2173.500000113.2A257 A258 A259A257-A261 PolarHBondContact O-N 3.43Å; A258-A261 PolarHBondContact O-N 3.46Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.29Å
262A46.8Very low38.8Very low62 Ų62100.1 Ų100.151%0.51263%0.625SS.*THydrogen-bonded Turntrans-101.35.6-179.500000114.2A258 A259 A260 H264A258-A262 PolarHBondContact O-N 3.48Å; A259-A262 CarbonylContact O-C 3.57Å; A259-A262 PolarHBondContact O-N 3.03Å; A259-A262 VanDerWaalsContact O-N 3.1Å; A260-A262 VanDerWaalsContact C-N 3.28Å; A260-A262 PolarHBondContact O-N 2.95Å; A262-H264 VanDerWaalsContact C-N 3.29Å; A262-H264 PolarHBondContact O-CD2 3.27Å; A262-H264 PolarHBondContact O-N 3Å
263G31Very low37.9Very low70 Ų70102.6 Ų102.672%0.72264%0.64SS**THydrogen-bonded Turntrans68.418.4170.900000116A259A259-G263 PolarHBondContact O-N 3.3Å
264H33Very low36.9Very low138 Ų138105 Ų10564%0.63965%0.65SS**  trans-97138.3173.7-68.7-68.9000111.4A262A262-H264 VanDerWaalsContact C-N 3.29Å; A262-H264 PolarHBondContact O-CD2 3.27Å; A262-H264 PolarHBondContact O-N 3Å
265P33.7Very low35.9Very low103 Ų103109.3 Ų109.367%0.66967%0.665SS**  trans-64.7152.3177.927.1-33.7000111.5V267P265-V267 PolarHBondContact O-N 3.04Å
266P30.5Very low35.2Very low97 Ų97110.8 Ų110.863%0.6368%0.675SS**  trans-60.6110.5-171.224.6-34.2000111.3M268P266-M268 PolarHBondContact O-N 3.46Å
267V32.8Very low34.3Very low122 Ų122110.2 Ų110.274%0.73969%0.688SS**  trans-74.594.9173.3-178.20000107.9P265 I269P265-V267 PolarHBondContact O-N 3.04Å; V267-I269 PolarHBondContact O-N 3.38Å
268M29.1Very low33.6Very low171 Ų171116.4 Ų116.484%0.84270%0.703SS**  trans-77.920.9-178.2-91.5-71.3-69.600114.9P266P266-M268 PolarHBondContact O-N 3.46Å
269I34.9Very low32.6Very low124 Ų124118 Ų11864%0.63672%0.716SS**SBendtrans-144121.6177.9-52.4178.9000109.4V267V267-I269 PolarHBondContact O-N 3.38Å
270P29.3Very low31.7Very low108 Ų108124.3 Ų124.370%0.70174%0.741SS**PPolyproline II helixtrans-62.7127173.425.7-31.1000108.7F272P270-F272 PolarHBondContact O-N 2.99Å
271P30.2Very low30.9Very low113 Ų113127.9 Ų127.973%0.73475%0.749SS**PPolyproline II helixtrans-63.1124.7170.926.2-30.8000107.4V273P271-V273 PolarHBondContact O-N 2.96Å
272F27Very low30.3Very low189 Ų189129 Ų12983%0.82975%0.746SS**PPolyproline II helixtrans-52.1116.5165.3-72.7-88000107.2P270 M274P270-F272 PolarHBondContact O-N 2.99Å; F272-M274 PolarHBondContact O-N 3.43Å
273V29.3Very low29.2Very low135 Ų135130.3 Ų130.382%0.81875%0.752SS**  trans-62.892.7168.7-175.50000105.8P271 N275P271-V273 PolarHBondContact O-N 2.96Å; V273-N275 PolarHBondContact O-N 2.97Å
274M28.7Very low29.2Very low173 Ų173131.9 Ų131.985%0.85276%0.758SS**  trans-65.9107.6162.4-78.6-173.8-152.600105.8F272 D276F272-M274 PolarHBondContact O-N 3.43Å; M274-D276 PolarHBondContact O-N 2.85Å
275N26.6Very low28.9Very low152 Ų152133.2 Ų133.281%0.81377%0.765SS**  trans-35.2126.4176.6-142.6-29.7000111.6V273 G277V273-N275 PolarHBondContact O-N 2.97Å; N275-G277 PolarHBondContact O-N 2.79Å
276D26.8Very low28.4Very low149 Ų149135.4 Ų135.480%0.79777%0.771SS**  trans-46.5110.8-179.2-80.7-58.6000112.6M274M274-D276 PolarHBondContact O-N 2.85Å
277G26.6Very low28.4Very low70 Ų70137.1 Ų137.172%0.72278%0.779SS**SBendtrans-126.762.4164.300000109.8N275N275-G277 PolarHBondContact O-N 2.79Å
278K31.7Very low28Very low197 Ų197137 Ų13786%0.85778%0.784SS**  trans73.9108.7176.4-60.1-177.9177.6-177.40115.7M280K278-M280 PolarHBondContact O-N 3.45Å
279A26.3Very low27.7Very low98 Ų98131.5 Ų131.581%0.8177%0.771SS**  trans-46.3100.2157.900000111.3
280M27.4Very low27.2Very low167 Ų167130.4 Ų130.482%0.82378%0.78SS**  trans-97.797.5147.3-74.1-150-154.200106.7K278 V282K278-M280 PolarHBondContact O-N 3.45Å; M280-V282 HydrophobicContact CB-CG2 3.84Å; M280-V282 PolarHBondContact O-N 3.37Å
281N24.3Very low27.6Very low155 Ų155131 Ų13183%0.82978%0.784SS**  trans-62.785.6157.1-178.87.8000107
282V29.7Very low27.6Very low115 Ų115134.1 Ų134.170%0.69779%0.794SS**  trans-92.4102166.6-1590000105.5M280 A284M280-V282 HydrophobicContact CB-CG2 3.84Å; M280-V282 PolarHBondContact O-N 3.37Å; V282-A284 PolarHBondContact O-N 3Å
283S24.6Very low27.4Very low90 Ų90129.2 Ų129.263%0.62980%0.797SS**  trans-43.5123.5172.3-157.90000109.8E285S283-E285 PolarHBondContact O-N 3.37Å
284A30.1Very low27.5Very low104 Ų104125.2 Ų125.286%0.8678%0.782SS**SBendtrans-73.67617400000109.4V282V282-A284 PolarHBondContact O-N 3Å
285E26.3Very low27.5Very low166 Ų166122.2 Ų122.278%0.77678%0.776SS**SBendtrans-153.7117.9163.5-110.5177.7157.100108.8S283S283-E285 PolarHBondContact O-N 3.37Å
286N24.2Very low27.5Very low149 Ų149121.4 Ų121.480%0.79778%0.776SS**  trans66.882.9170.3-82.3-23000118.9
287V31Very low27.8Very low133 Ų133120.9 Ų120.981%0.80677%0.773SS**  trans-13675.6130.5-165.20000109.3G289V287-G289 PolarHBondContact O-N 3Å
288S23.6Very low28.5Very low120 Ų120121 Ų12184%0.83976%0.763SS**  trans-62101.7142.4-66.80000107.1
289G22.8Very low28.7Very low55 Ų55116 Ų11657%0.56775%0.752SS**  trans157.899.6173.900000116.9V287V287-G289 PolarHBondContact O-N 3Å
290A25.9Very low29.2Very low101 Ų101121.4 Ų121.484%0.83575%0.752SS**  trans85.4140.6150.200000119.9
291P35.9Very low30.4Very low120 Ų120117.6 Ų117.678%0.77974%0.738SS**  trans-105.2137-152.836.3-23.9000112.2
292L31.3Very low31.3Very low178 Ų178116.2 Ų116.293%0.93273%0.727SS**  trans-122.1114.8165.4-74.5170.3000108.2G294L292-G294 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact O-N 3.11Å
293G23.3Very low31.9Very low87 Ų87116.1 Ų116.190%0.89772%0.719SS**  trans-55.7108.6-168.800000114.1
294G29.8Very low33.7Very low50 Ų50118.8 Ų118.852%0.51572%0.721SS.*  trans-86.7148.4146.900000109L292 V296L292-G294 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact O-N 3.11Å; G294-V296 PolarHBondContact O-N 3.34Å
295P28.9Very low35Very low111 Ų111120.4 Ų120.472%0.72171%0.711SS**  trans-60.1115.6-175.425.7-32.5000109.6L297P295-L297 HydrophobicContact CB-CD1 4.19Å; P295-L297 HydrophobicContact CB-CG 4.26Å; P295-L297 PolarHBondContact O-N 3.06Å
296V27.8Very low36.9Very low135 Ų135116.1 Ų116.182%0.81870%0.696SS**  trans-67.982166.7-179.50000106.9G294G294-V296 PolarHBondContact O-N 3.34Å
297L32Very low39Very low137 Ų137113.1 Ų113.172%0.71768%0.68SS**  trans-111.819.2172.7-80.3173.6000112P295P295-L297 HydrophobicContact CB-CD1 4.19Å; P295-L297 HydrophobicContact CB-CG 4.26Å; P295-L297 PolarHBondContact O-N 3.06Å
298S41.2Very low40.7Very low73 Ų73109.3 Ų109.351%0.5166%0.662SS.*  trans-98.8-3.2-176.1-66.90000116R300 T301 E302S298-R300 VanDerWaalsContact C-N 3.32Å; S298-R300 PolarHBondContact O-N 3.49Å; S298-T301 PolarHBondContact O-OG1 2.98Å; S298-E302 PolarHBondContact O-N 2.8Å
299S37Very low42.9Very low92 Ų92109.4 Ų109.464%0.64365%0.65SS**Hα-helixtrans-72.5-25178.455.80000113.4
300R37.2Very low45.5Very low211 Ų211111.8 Ų111.880%0.79665%0.649SS**Hα-helixtrans-86-32.2-179.3-162.9175-175179.41.9113.2S298 Q304S298-R300 VanDerWaalsContact C-N 3.32Å; S298-R300 PolarHBondContact O-N 3.49Å; R300-Q304 PolarHBondContact O-N 3.22Å
301T50.8Low47.9Very low87 Ų87113.2 Ų113.253%0.53464%0.638SS.*Hα-helixtrans-75.9-34.1176.746.90000112.2S298 Q305S298-T301 PolarHBondContact O-OG1 2.98Å; T301-Q305 WeakPolarHBondContact O-CB 3.48Å; T301-Q305 PolarHBondContact O-N 3.08Å; T301-Q305 VanDerWaalsContact O-N 3.09Å
302E44.8Very low50Low127 Ų127115.6 Ų115.659%0.59363%0.631SS**Hα-helixtrans-63.3-45.9173.2-99.4-178.612100111.4S298 Q304 Q305 V306S298-E302 PolarHBondContact O-N 2.8Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 3.18Å; E302-Q305 PolarHBondContact O-N 3.28Å; E302-V306 WeakPolarHBondContact O-CB 3.26Å; E302-V306 VanDerWaalsContact O-CG2 3.26Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.49Å
303Q42.4Very low52.3Low113 Ų113112.9 Ų112.953%0.52861%0.614SS.*Hα-helixtrans-61.8-40.5-178.8-163.965.440.400112.2V306 D307Q303-V306 PolarHBondContact O-N 2.97Å; Q303-D307 WeakPolarHBondContact O-CB 3.38Å; Q303-D307 PolarHBondContact O-N 3.02Å
304Q60.7Low54.9Low145 Ų145115.2 Ų115.268%0.67860%0.602SS**Hα-helixtrans-71.6-30.4178.7-160.9167.516.600112.7R300 E302 A308R300-Q304 PolarHBondContact O-N 3.22Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 3.18Å; Q304-A308 WeakPolarHBondContact O-CB 3.37Å; Q304-A308 PolarHBondContact O-N 3.03Å
305Q58.9Low57.5Low139 Ų139117.8 Ų117.865%0.6560%0.603SS**Hα-helixtrans-72.8-38.3173.3-168.8171.317.200111.7T301 E302 A308 Q309T301-Q305 WeakPolarHBondContact O-CB 3.48Å; T301-Q305 PolarHBondContact O-N 3.08Å; T301-Q305 VanDerWaalsContact O-N 3.09Å; E302-Q305 PolarHBondContact O-N 3.28Å; Q305-A308 PolarHBondContact O-N 3.24Å; Q305-Q309 VanDerWaalsContact O-CB 3.31Å; Q305-Q309 WeakPolarHBondContact O-CB 3.35Å; Q305-Q309 PolarHBondContact O-N 2.78Å
306V65.7Low60.1Low75 Ų75115.3 Ų115.346%0.45559%0.586SS.*Hα-helixtrans-65.8-43.7174.3173.70000110.7E302 Q303 A308 Q309 L310E302-V306 WeakPolarHBondContact O-CB 3.26Å; E302-V306 VanDerWaalsContact O-CG2 3.26Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.49Å; Q303-V306 PolarHBondContact O-N 2.97Å; V306-A308 PolarHBondContact O-N 2.92Å; V306-Q309 PolarHBondContact O-N 3.06Å; V306-L310 WeakPolarHBondContact O-CB 3.33Å; V306-L310 PolarHBondContact O-N 3.32Å
307D67.8Low62.2Low86 Ų86111.5 Ų111.546%0.4657%0.569SS.*Hα-helixtrans-63.9-42176.7-76.2-15000111.7Q303 Q309 L310 Q311Q303-D307 WeakPolarHBondContact O-CB 3.38Å; Q303-D307 PolarHBondContact O-N 3.02Å; D307-Q309 PolarHBondContact O-N 2.97Å; D307-L310 PolarHBondContact O-N 3.43Å; D307-Q311 WeakPolarHBondContact O-CB 3.21Å; D307-Q311 PolarHBondContact O-N 3.3Å
308A66.7Low64.3Low53 Ų53111.1 Ų111.144%0.43856%0.563SS.*Hα-helixtrans-64.6-39175.200000112.1Q304 Q305 V306 Q311 W312Q304-A308 WeakPolarHBondContact O-CB 3.37Å; Q304-A308 PolarHBondContact O-N 3.03Å; Q305-A308 PolarHBondContact O-N 3.24Å; V306-A308 PolarHBondContact O-N 2.92Å; A308-Q311 PolarHBondContact O-N 3.27Å; A308-W312 WeakPolarHBondContact O-CB 3.33Å; A308-W312 PolarHBondContact O-N 3.42Å
309Q69.9Low65.9Low123 Ų123113.7 Ų113.758%0.57557%0.567SS**Hα-helixtrans-69.1-36.2176.5-171.7174.62.700112.1Q305 V306 D307 W312 Q313Q305-Q309 VanDerWaalsContact O-CB 3.31Å; Q305-Q309 WeakPolarHBondContact O-CB 3.35Å; Q305-Q309 PolarHBondContact O-N 2.78Å; V306-Q309 PolarHBondContact O-N 3.06Å; D307-Q309 PolarHBondContact O-N 2.97Å; Q309-W312 PolarHBondContact O-N 3.49Å; Q309-Q313 PolarHBondContact O-N 3.18Å
310L77.1Confident67.8Low104 Ų104114.9 Ų114.955%0.54556%0.562SS.*Hα-helixtrans-68.2-43.3174.6-170.468.1000111V306 D307 W312 Q313 Q314V306-L310 WeakPolarHBondContact O-CB 3.33Å; V306-L310 PolarHBondContact O-N 3.32Å; D307-L310 PolarHBondContact O-N 3.43Å; L310-W312 VanDerWaalsContact C-N 3.28Å; L310-W312 PolarHBondContact O-N 2.98Å; L310-Q313 PolarHBondContact O-N 3.49Å; L310-Q314 PolarHBondContact O-N 3.45Å
311Q77.4Confident69.3Low131 Ų131107.4 Ų107.461%0.61255%0.546SS*.Hα-helixtrans-61.2-37.8174.5-169.5-179.217.200111.6D307 A308 Q314 L315D307-Q311 WeakPolarHBondContact O-CB 3.21Å; D307-Q311 PolarHBondContact O-N 3.3Å; A308-Q311 PolarHBondContact O-N 3.27Å; Q311-Q314 WeakPolarHBondContact O-CB 3.47Å; Q311-Q314 PolarHBondContact O-N 3.39Å; Q311-L315 HydrophobicContact CG-CD1 4.41Å; Q311-L315 PolarHBondContact O-N 2.92Å
312W80.1Confident70.5Confident170 Ų170109.2 Ų109.264%0.64455%0.546SS*.Hα-helixtrans-68.3-42.4177.1-15392.2000112.2A308 Q309 L310 Q314 L315 V316A308-W312 WeakPolarHBondContact O-CB 3.33Å; A308-W312 PolarHBondContact O-N 3.42Å; Q309-W312 PolarHBondContact O-N 3.49Å; L310-W312 VanDerWaalsContact C-N 3.28Å; L310-W312 PolarHBondContact O-N 2.98Å; W312-Q314 VanDerWaalsContact C-N 3.29Å; W312-Q314 PolarHBondContact O-N 3.23Å; W312-L315 PolarHBondContact O-N 2.66Å; W312-V316 HydrophobicContact CD2-CG2 4.08Å; W312-V316 HydrophobicContact CE3-CG2 3.43Å; W312-V316 VanDerWaalsContact CE3-CG2 3.43Å; W312-V316 HydrophobicContact CH2-CG2 3.53Å; W312-V316 HydrophobicContact CZ2-CG2 4.15Å; W312-V316 HydrophobicContact CZ3-CB 4.4Å; W312-V316 HydrophobicContact CZ3-CG2 3.16Å; W312-V316 WeakPolarHBondContact O-CG2 3.06Å; W312-V316 PolarHBondContact O-N 2.72Å
313Q78.2Confident71.6Confident121 Ų121108 Ų10857%0.56554%0.539SS*.Hα-helixtrans-60.1-39.3172.4-93.2174.588.900112.1Q309 L310 V316 A317Q309-Q313 PolarHBondContact O-N 3.18Å; L310-Q313 PolarHBondContact O-N 3.49Å; Q313-V316 PolarHBondContact O-N 3.06Å; Q313-A317 WeakPolarHBondContact O-CB 3.36Å; Q313-A317 PolarHBondContact O-N 2.84Å
314Q78.6Confident72.5Confident137 Ų137108.9 Ų108.964%0.6454%0.543SS*.Hα-helixtrans-61.8-45.1174.5-163.89554.900111.5L310 Q311 W312 A317 E318L310-Q314 PolarHBondContact O-N 3.45Å; Q311-Q314 WeakPolarHBondContact O-CB 3.47Å; Q311-Q314 PolarHBondContact O-N 3.39Å; W312-Q314 VanDerWaalsContact C-N 3.29Å; W312-Q314 PolarHBondContact O-N 3.23Å; Q314-A317 PolarHBondContact O-N 3.28Å; Q314-E318 WeakPolarHBondContact O-CB 3.35Å; Q314-E318 PolarHBondContact O-N 3.45Å
315L83.4Confident72Confident103 Ų103109 Ų10954%0.53955%0.546SS..Hα-helixtrans-65.3-39.3179.5-114116.4000112.7Q311 W312 E318 H319Q311-L315 HydrophobicContact CG-CD1 4.41Å; Q311-L315 PolarHBondContact O-N 2.92Å; W312-L315 PolarHBondContact O-N 2.66Å; L315-E318 PolarHBondContact O-N 3.5Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.94Å
316V83.5Confident71.8Confident59 Ų59109.3 Ų109.336%0.35855%0.547SS..Hα-helixtrans-66.3-45.1175.3172.60000111.1W312 Q313 E318 H319 E320W312-V316 HydrophobicContact CD2-CG2 4.08Å; W312-V316 HydrophobicContact CE3-CG2 3.43Å; W312-V316 VanDerWaalsContact CE3-CG2 3.43Å; W312-V316 HydrophobicContact CH2-CG2 3.53Å; W312-V316 HydrophobicContact CZ2-CG2 4.15Å; W312-V316 HydrophobicContact CZ3-CB 4.4Å; W312-V316 HydrophobicContact CZ3-CG2 3.16Å; W312-V316 WeakPolarHBondContact O-CG2 3.06Å; W312-V316 PolarHBondContact O-N 2.72Å; Q313-V316 PolarHBondContact O-N 3.06Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 2.98Å; V316-H319 PolarHBondContact O-N 3.22Å; V316-E320 WeakPolarHBondContact O-CB 3.49Å; V316-E320 PolarHBondContact O-N 2.95Å
317A73Confident71.2Confident56 Ų56112.9 Ų112.946%0.46356%0.558SS.*Hα-helixtrans-60.8-40.8176.600000111.7Q313 Q314 E320 A321Q313-A317 WeakPolarHBondContact O-CB 3.36Å; Q313-A317 PolarHBondContact O-N 2.84Å; Q314-A317 PolarHBondContact O-N 3.28Å; A317-E320 PolarHBondContact O-N 3.46Å; A317-A321 WeakPolarHBondContact O-CB 3.31Å; A317-A321 PolarHBondContact O-N 3.46Å
318E75.4Confident69.7Low128 Ų128111.5 Ų111.560%0.59857%0.565SS**Hα-helixtrans-65.8-43.3175.7-166.2-169151.400111.8Q314 L315 V316 E320 A321 K322Q314-E318 WeakPolarHBondContact O-CB 3.35Å; Q314-E318 PolarHBondContact O-N 3.45Å; L315-E318 PolarHBondContact O-N 3.5Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 2.98Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.19Å; E318-A321 PolarHBondContact O-N 2.84Å; E318-K322 VanDerWaalsContact O-CB 3.31Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 PolarHBondContact O-N 3.4Å
319H74.4Confident68.2Low128 Ų128117 Ų11759%0.59358%0.583SS**Hα-helixtrans-69-28.1179.8-154.3-62.5000112.4L315 V316 K323L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.94Å; V316-H319 PolarHBondContact O-N 3.22Å; H319-K323 PolarHBondContact O-N 3.15Å
320E77.7Confident66.6Low116 Ų116116.4 Ų116.454%0.54259%0.59SS.*Hα-helixtrans-76.4-43.6172.3-170.1169.2-176.400112V316 A317 E318 K322 K323 Q324V316-E320 WeakPolarHBondContact O-CB 3.49Å; V316-E320 PolarHBondContact O-N 2.95Å; A317-E320 PolarHBondContact O-N 3.46Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.19Å; E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.33Å; E320-K323 WeakPolarHBondContact O-CB 3.27Å; E320-K323 PolarHBondContact O-N 3.44Å; E320-K323 VanDerWaalsContact O-N 3.1Å; E320-Q324 PolarHBondContact O-N 3.28Å; E320-Q324 VanDerWaalsContact O-N 3.11Å
321A68.8Low64.4Low55 Ų55118.5 Ų118.546%0.45560%0.602SS.*Hα-helixtrans-60.6-40.8174.200000111.9A317 E318 K323 Q324 M325A317-A321 WeakPolarHBondContact O-CB 3.31Å; A317-A321 PolarHBondContact O-N 3.46Å; E318-A321 PolarHBondContact O-N 2.84Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.21Å; A321-Q324 PolarHBondContact O-N 2.91Å; A321-M325 PolarHBondContact O-N 3.13Å
322K75.3Confident62.1Low125 Ų125120.3 Ų120.354%0.54361%0.612SS.*Hα-helixtrans-65.9-30.2176.2-162.5167.6-173.8171.70112.4E318 E320 H326E318-K322 VanDerWaalsContact O-CB 3.31Å; E318-K322 WeakPolarHBondContact O-CB 3.33Å; E318-K322 PolarHBondContact O-N 3.4Å; E320-K322 VanDerWaalsContact C-N 3.32Å; E320-K322 PolarHBondContact O-N 3.33Å; K322-H326 PolarHBondContact O-N 3.48Å; K322-H326 PolarHBondContact O-ND1 3.03Å
323K69Low60Low102 Ų102116.7 Ų116.744%0.44361%0.611SS.*Hα-helixtrans-69.8-37.9173.8-165-175.5176.4-164.80111.5H319 E320 A321 Q327H319-K323 PolarHBondContact O-N 3.15Å; E320-K323 WeakPolarHBondContact O-CB 3.27Å; E320-K323 PolarHBondContact O-N 3.44Å; E320-K323 VanDerWaalsContact O-N 3.1Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 3.21Å; K323-Q327 WeakPolarHBondContact O-CG 3.33Å; K323-Q327 PolarHBondContact O-N 3.37Å
324Q60.8Low57.8Low131 Ų131118 Ų11861%0.61263%0.627SS**Hα-helixtrans-69.6-40.3175.4-65.2-162.223.700112.3E320 A321 H326 Q327 G328E320-Q324 PolarHBondContact O-N 3.28Å; E320-Q324 VanDerWaalsContact O-N 3.11Å; A321-Q324 PolarHBondContact O-N 2.91Å; Q324-H326 VanDerWaalsContact C-N 3.32Å; Q324-H326 PolarHBondContact O-N 3.17Å; Q324-Q327 PolarHBondContact O-N 3.22Å; Q324-Q327 VanDerWaalsContact O-N 3.15Å; Q324-G328 PolarHBondContact O-N 3.44Å
325M50Low55.4Low148 Ų148119.2 Ų119.273%0.72963%0.634SS**Hα-helixtrans-63.9-34.1176.3-71.8-127.8-66.800113.4A321A321-M325 PolarHBondContact O-N 3.13Å
326H55.4Low52.8Low145 Ų145119.3 Ų119.367%0.67165%0.65SS**Hα-helixtrans-79.9-16.3175.7-7478.4000113.8K322 Q324K322-H326 PolarHBondContact O-N 3.48Å; K322-H326 PolarHBondContact O-ND1 3.03Å; Q324-H326 VanDerWaalsContact C-N 3.32Å; Q324-H326 PolarHBondContact O-N 3.17Å
327Q52.1Low50.2Low149 Ų149122.1 Ų122.170%0.69667%0.668SS**Hα-helixtrans-92.2-18.4171.4-73.5-174.9-0.200112.8K323 Q324K323-Q327 WeakPolarHBondContact O-CG 3.33Å; K323-Q327 PolarHBondContact O-N 3.37Å; Q324-Q327 PolarHBondContact O-N 3.22Å; Q324-Q327 VanDerWaalsContact O-N 3.15Å
328G37.8Very low48.3Very low58 Ų58125.3 Ų125.360%0.59869%0.686SS**SBendtrans-85.66.2-17900000116.2Q324 P330Q324-G328 PolarHBondContact O-N 3.44Å; G328-P330 WeakPolarHBondContact O-CD 3.4Å
329M34Very low46.1Very low167 Ų167124.9 Ų124.982%0.82369%0.692SS**  trans-100.584.4169.5-76.9-93.8-178.800109.5N331M329-N331 PolarHBondContact O-N 3.48Å; M329-N331 VanDerWaalsContact O-N 3.16Å
330P36Very low43.9Very low112 Ų112124.5 Ų124.573%0.72770%0.703SS**  trans-67.4113168.928.3-32.1000109.3G328 M332G328-P330 WeakPolarHBondContact O-CD 3.4Å; P330-M332 PolarHBondContact O-N 3.05Å
331N30.8Very low41.6Very low147 Ų147126.2 Ų126.279%0.78672%0.716SS**  trans7.7110.3139.1-154.421000115.6M329M329-N331 PolarHBondContact O-N 3.48Å; M329-N331 VanDerWaalsContact O-N 3.16Å
332M29Very low39.5Very low169 Ų169131.2 Ų131.283%0.83374%0.735SS**  trans-125.5121.3151.1-86.8-68.9-79.400108.9P330P330-M332 PolarHBondContact O-N 3.05Å
333P36Very low37.5Very low95 Ų95131.6 Ų131.662%0.61775%0.747SS**PPolyproline II helixtrans-77.9129.9-176.630.8-31.9000110.4M335P333-M335 PolarHBondContact O-N 3.01Å
334V32.7Very low35.8Very low148 Ų148132.3 Ų132.390%0.89776%0.762SS**PPolyproline II helixtrans-70.5120.2167.31780000108
335M27.5Very low34.6Very low162 Ų162132.2 Ų132.280%0.79877%0.773SS**PPolyproline II helixtrans-47.1132.5-171.6-56.8-169-169.600115.3P333P333-M335 PolarHBondContact O-N 3.01Å
336A29.3Very low33.5Very low106 Ų106130.7 Ų130.788%0.87678%0.777SS**  trans-136.855.8142.600000108.7S338A336-S338 PolarHBondContact O-N 2.79Å
337T30Very low32.4Very low118 Ų118128.2 Ų128.272%0.72478%0.782SS**  trans-86.896.2163.244.50000107.9
338S32.7Very low31.1Very low122 Ų122125.3 Ų125.385%0.85378%0.783SS**  trans-88.4132.4148.7-158.10000107.7A336A336-S338 PolarHBondContact O-N 2.79Å
339V28.7Very low30.8Very low119 Ų119128.7 Ų128.772%0.72180%0.795SS**  trans-74137.6-166.2177.80000110.7
340C27.9Very low30.7Very low121 Ų121126.4 Ų126.482%0.81879%0.79SS**  trans-174.1103136.4-91.90000111.8
341N29.5Very low30.5Very low152 Ų152128 Ų12881%0.81379%0.792SS**  trans37.2120.2143.5-67.3-16.2000122.7
342N24.7Very low30.5Very low160 Ų160127.2 Ų127.286%0.85679%0.793SS**  trans-30.9131.9145.9-66.8-32.3000114.7
343V34Very low30.6Very low132 Ų132123.1 Ų123.180%0.879%0.786SS**  175.6137124.5162.90000107.1
344P33.4Very low30.4Very low117 Ų117128.7 Ų128.776%0.7680%0.801SS**  trans-92133.7-164.334.7-29.7000112.6S346P344-S346 PolarHBondContact O-N 2.95Å
345P34.4Very low30.5Very low129 Ų129129.7 Ų129.784%0.83880%0.8SS**  trans-93104.6169.832.1-24.8000110
346S28.5Very low30.9Very low116 Ų116132.3 Ų132.381%0.81180%0.801SS**  trans-66.1150.7147.4-176.80000109.2P344P344-S346 PolarHBondContact O-N 2.95Å
347A30.3Very low31.1Very low93 Ų93133.9 Ų133.977%0.76980%0.803SS**SBendtrans80.6115.6172.200000117.7
348A24.7Very low31.5Very low89 Ų89131.8 Ų131.874%0.73681%0.805SS**  trans-51.7155.1174.700000115.6
349P32.4Very low31.7Very low128 Ų128131.7 Ų131.783%0.83180%0.799SS**  trans-108.7114.2141.531-18.2000110
350T31.4Very low32.1Very low120 Ų120136.4 Ų136.474%0.73680%0.804SS**  trans-75.8120.6155.9-52.40000107.5
351D32.5Very low32.2Very low144 Ų144138.7 Ų138.777%0.7781%0.805SS**  trans164.5102.4142-85.9-26.1000110.7
352V30.1Very low32.6Very low132 Ų132137.6 Ų137.680%0.880%0.803SS**  52.5104.5104.3-167.20000115.4
353A31Very low33.8Very low83 Ų83134.9 Ų134.969%0.68679%0.792SS**  173113.6127.800000112.4
354F31.6Very low34.3Very low212 Ų212137.7 Ų137.793%0.9380%0.797SS**  trans31.894.4146.2-75.9-92.8000119.3
355L36.6Very low34.5Very low169 Ų169135.4 Ų135.489%0.88579%0.794SS**  trans-112.6131.7153.1-79.5163.3000109.6
356R34.5Very low34.9Very low216 Ų216137.6 Ų137.682%0.81579%0.79SS**  trans-49.7150.3-164.5-71.1172.5168.3-176.7-4.6115.4G358R356-G358 PolarHBondContact O-N 3.39Å
357P34.4Very low35.5Very low140 Ų140137.3 Ų137.391%0.90979%0.785SS**THydrogen-bonded Turntrans-53.3123.3173.5-21.531.4000111
358G37.6Very low35.8Very low74 Ų74137.3 Ų137.376%0.76379%0.785SS**THydrogen-bonded Turntrans129.9-18.6172.200000115.6R356 R360R356-G358 PolarHBondContact O-N 3.39Å; G358-R360 PolarHBondContact O-N 3.48Å
359T38.4Very low36.4Very low120 Ų120141 Ų14174%0.73679%0.792SS**  trans-86.4102.8177.8-33.50000109.7M361T359-M361 PolarHBondContact O-N 3.12Å; T359-M361 VanDerWaalsContact O-N 3.13Å
360R35.7Very low36.5Very low217 Ų217143.4 Ų143.482%0.81979%0.794SS**  trans-63.9108.2178.3-68.3-178.6168.7-155.8-3.4110G358 V362G358-R360 PolarHBondContact O-N 3.48Å; R360-V362 PolarHBondContact O-N 3.04Å
361M30.6Very low36.7Very low170 Ų170143.8 Ų143.884%0.83780%0.796SS**  trans-68121.5166-91.8-176.259.200109.6T359 V363T359-M361 PolarHBondContact O-N 3.12Å; T359-M361 VanDerWaalsContact O-N 3.13Å; M361-V363 HydrophobicContact CE-CG2 4.27Å; M361-V363 PolarHBondContact O-N 3.26Å
362V38.6Very low37.2Very low129 Ų129141.7 Ų141.778%0.78279%0.791SS**  trans-87.398.2175.8-154.40000107.3R360R360-V362 PolarHBondContact O-N 3.04Å
363V48.5Very low38Very low102 Ų102141.6 Ų141.662%0.61879%0.793SS**  trans-96.3104.3167.6178.30000106.7M361 G365M361-V363 HydrophobicContact CE-CG2 4.27Å; M361-V363 PolarHBondContact O-N 3.26Å; V363-G365 PolarHBondContact O-N 2.78Å
364Q44.7Very low38.6Very low192 Ų192144 Ų14490%0.89780%0.798SS**THydrogen-bonded Turntrans38.862.8174.3-78.5-178.6-18.300115.4K366Q364-K366 PolarHBondContact O-N 3.32Å
365G37.9Very low38.6Very low68 Ų68137.7 Ų137.770%0.70179%0.786SS**THydrogen-bonded Turntrans75.610.7152.100000118.4V363V363-G365 PolarHBondContact O-N 2.78Å
366K43.2Very low38.8Very low175 Ų175135.2 Ų135.276%0.76178%0.78SS**SBendtrans-133.6131.1167.5-68.2178.5-178.5170.50110.4Q364 A368Q364-K366 PolarHBondContact O-N 3.32Å; K366-A368 PolarHBondContact O-N 3.19Å; K366-A368 VanDerWaalsContact O-N 3.07Å
367P40.2Very low39Very low110 Ų110131.2 Ų131.271%0.71478%0.782SS**  trans-64.4113.1172.425.9-30.9000108.7L369P367-L369 PolarHBondContact O-N 3.18Å; P367-L369 VanDerWaalsContact O-N 3.07Å
368A37Very low39.2Very low93 Ų93136.1 Ų136.177%0.76978%0.782SS**  trans-62110.2168.400000107.8K366 M370K366-A368 PolarHBondContact O-N 3.19Å; K366-A368 VanDerWaalsContact O-N 3.07Å; A368-M370 VanDerWaalsContact C-N 3.34Å; A368-M370 PolarHBondContact O-N 2.91Å
369L37Very low38.9Very low167 Ų167136.6 Ų136.687%0.87478%0.779SS**  trans-63.3102.6163.9-78.9162000106.2P367 V371P367-L369 PolarHBondContact O-N 3.18Å; P367-L369 VanDerWaalsContact O-N 3.07Å; L369-V371 PolarHBondContact O-N 3.27Å
370M35.2Very low38.9Very low178 Ų178137.2 Ų137.288%0.87779%0.785SS**  trans-51.7112.1170-76.6174.365.500108.1A368 P372A368-M370 VanDerWaalsContact C-N 3.34Å; A368-M370 PolarHBondContact O-N 2.91Å; M370-P372 WeakPolarHBondContact O-CD 3.45Å
371V36.2Very low38.9Very low128 Ų128135.9 Ų135.978%0.77679%0.788SS**PPolyproline II helixtrans-64.7118.3169.4178.30000106.6L369L369-V371 PolarHBondContact O-N 3.27Å
372P43.2Very low39.1Very low101 Ų101133.5 Ų133.566%0.65679%0.788SS**PPolyproline II helixtrans-63.2145.5176.225-31.7000109.9M370 V374M370-P372 WeakPolarHBondContact O-CD 3.45Å; P372-V374 PolarHBondContact O-N 3.22Å
373P46.7Very low38.7Very low130 Ų130133.8 Ų133.884%0.84479%0.79SS**PPolyproline II helixtrans-60.4122.818023.7-31.9000110.3A375P373-A375 PolarHBondContact O-N 3.27Å
374V43.4Very low38Very low132 Ų132140.4 Ų140.480%0.880%0.804SS**  trans-64.2112.5173.7176.70000107.8P372P372-V374 PolarHBondContact O-N 3.22Å
375A31.5Very low37.3Very low81 Ų81134 Ų13467%0.66979%0.789SS**PPolyproline II helixtrans-61140.8170.900000109.7P373P373-A375 PolarHBondContact O-N 3.27Å
376P39.4Very low37.5Very low117 Ų117137.1 Ų137.176%0.7680%0.797SS**PPolyproline II helixtrans-62.4146.3-177.722.6-30.6000111.6R378P376-R378 PolarHBondContact O-N 3.25Å
377P40Very low37Very low131 Ų131140.5 Ų140.585%0.85181%0.805SS**PPolyproline II helixtrans-64.4121.1-169.225-34.1000111.7A379P377-A379 PolarHBondContact O-N 3.31Å
378R37.3Very low36.6Very low243 Ų243137.9 Ų137.992%0.91780%0.798SS**PPolyproline II helixtrans-68.5122.1167.5-101.7-178.7173.4-173.2-1.5109.1P376P376-R378 PolarHBondContact O-N 3.25Å
379A32.4Very low36.8Very low85 Ų85140 Ų14070%0.70280%0.804SS**PPolyproline II helixtrans-54.2148.8169.400000111.7P377 Q381P377-A379 PolarHBondContact O-N 3.31Å; A379-Q381 PolarHBondContact O-N 2.76Å
380P39.2Very low36.9Very low133 Ų133137.7 Ų137.786%0.86480%0.802SS**PPolyproline II helixtrans-65.3122.8-171.324.7-32.8000111.7
381Q34.7Very low36.6Very low189 Ų189135.5 Ų135.588%0.88380%0.798SS**PPolyproline II helixtrans-80.9130.5170.5-71.8-139.9-21.300110.7A379A379-Q381 PolarHBondContact O-N 2.76Å
382S33.8Very low36.8Very low119 Ų119134.8 Ų134.883%0.83280%0.796SS**PPolyproline II helixtrans-59.9140.4-179.6-1620000112.6R384S382-R384 PolarHBondContact O-N 2.87Å
383V32.1Very low36.5Very low136 Ų136135.6 Ų135.682%0.82480%0.802SS**PPolyproline II helixtrans-49.6125.1174.5177.50000111.1
384R33.8Very low35.9Very low240 Ų240134.8 Ų134.891%0.90680%0.796SS**  trans-104.6122.4161-129.8-176.7-174.4-175.11.9108.1S382S382-R384 PolarHBondContact O-N 2.87Å
385G29.7Very low35.4Very low57 Ų57133.5 Ų133.559%0.58879%0.793SS**  trans-63.3176.6-172.300000116.1R387G385-R387 PolarHBondContact O-N 2.78Å
386P41.2Very low35.6Very low134 Ų134137.5 Ų137.587%0.8780%0.803SS**  trans-70127.6-160.328.5-33.7000111.9G388P386-G388 PolarHBondContact O-N 3.05Å
387R32.5Very low35.1Very low246 Ų246135.9 Ų135.993%0.92881%0.808SS**  trans-73.9114.9163.6-78.4-178169.5-174.8-4.4108.3G385G385-R387 PolarHBondContact O-N 2.78Å
388G31.7Very low34.6Very low56 Ų56132.9 Ų132.958%0.57780%0.801SS**  trans-65.4172.8167.200000112.9P386P386-G388 PolarHBondContact O-N 3.05Å
389P42.8Very low34.5Very low136 Ų136132.3 Ų132.388%0.88380%0.801SS**  trans-77.5132.7-167.830.1-32.6000111.9
390S37.6Very low34.7Very low120 Ų120135.2 Ų135.284%0.83981%0.809SS**  trans-116.1106.7176.943.60000110.9
391V28.5Very low34.7Very low131 Ų131137.6 Ų137.679%0.79481%0.809SS**  trans-57.7148.6159.6175.80000109.5
392P42.1Very low34.4Very low113 Ų113131.1 Ų131.173%0.73479%0.793SS**  -156-165.669.842.8-19.2000115.1
393P36.2Very low34.8Very low118 Ų118131.1 Ų131.177%0.76679%0.79SS**  cis-129.8-177.6-1.434.2-10.8000115.3
394P35Very low35.1Very low113 Ų113130.4 Ų130.473%0.73479%0.788SS**  trans-105.8171-165.940.1-31000115.6
395S32Very low35.4Very low106 Ų106123.2 Ų123.274%0.74178%0.78SS**  trans76.8130.6158.9-48.70000116.1
396D36.5Very low35.8Very low164 Ų164125.8 Ų125.888%0.87779%0.787SS**  cis-143.5134.347.9-91.4-49.9000114.8
397G27.2Very low35.9Very low83 Ų83124.9 Ų124.986%0.85678%0.78SS**  trans39.3118.1142.100000122.3
398G29.4Very low36.3Very low69 Ų69119 Ų11971%0.71177%0.774SS**  trans164.278.6151.700000115.5
399Y35.7Very low36.2Very low231 Ų231122.7 Ų122.791%0.90678%0.781SS**  trans48.8106158.5-67.8-86.6000119.4E401Y399-E401 PolarHBondContact O-N 3.39Å
400V36.8Very low35.7Very low145 Ų145126.7 Ų126.788%0.87978%0.78SS**  trans-50.697.7147.2-175.70000109.3
401E38.8Very low35.2Very low183 Ų183124.2 Ų124.286%0.85576%0.757SS**  trans-10792.5153.4-157.1168.4-17400105.5Y399Y399-E401 PolarHBondContact O-N 3.39Å
402G29.5Very low35.4Very low53 Ų53123.2 Ų123.255%0.54675%0.753SS.*PPolyproline II helixtrans-55.6130.9-179.800000109.1
403P42.1Very low35.1Very low120 Ų120122.9 Ų122.978%0.77975%0.753SS**PPolyproline II helixtrans-56.2136172.622.1-30.9000108.7
404P38.9Very low34.8Very low121 Ų121125.6 Ų125.679%0.78676%0.758SS**PPolyproline II helixtrans-54.7146.3175.521.9-32000110.2
405A38.3Very low34.4Very low89 Ų89122.6 Ų122.674%0.73675%0.747SS**PPolyproline II helixtrans-50.9137.4177.300000110.3
406P40Very low34.3Very low111 Ų111127.1 Ų127.172%0.72176%0.757SS**PPolyproline II helixtrans-55.8145.3171.624.3-32.3000109.1
407P42.3Very low33.9Very low114 Ų114122.6 Ų122.674%0.7475%0.749SS**SBendtrans-52.3150.6171.823.3-32.7000109.7N409P407-N409 PolarHBondContact O-N 3.22Å
408P40.1Very low33.8Very low122 Ų122125.6 Ų125.679%0.79274%0.741SS**PPolyproline II helixtrans-48.8122.1-172.517.3-30.4000110.5Y410P408-Y410 PolarHBondContact O-N 2.9Å
409N30.2Very low33.9Very low134 Ų134127.8 Ų127.872%0.71774%0.743SS**  trans-60.981.3172.3-1657.2000108.8P407 N411P407-N409 PolarHBondContact O-N 3.22Å; N409-N411 PolarHBondContact O-N 3.26Å; N409-N411 VanDerWaalsContact O-N 3.14Å; N409-N411 WeakPolarHBondContact OD1-CB 3.47Å; N409-N411 PolarHBondContact OD1-N 3.4Å; N409-N411 VanDerWaalsContact OD1-N 3.14Å
410Y32.7Very low33.5Very low221 Ų221124.5 Ų124.587%0.86773%0.733SS**  trans-79.869.4146.3-102.8-84.8000107.3P408 P412P408-Y410 PolarHBondContact O-N 2.9Å; Y410-P412 WeakPolarHBondContact O-CD 3.5Å
411N27.8Very low33.6Very low67 Ų67123 Ų12336%0.35873%0.726SS.*  trans-39.8113.1133.6-148.73000106.3N409 S413 M414N409-N411 PolarHBondContact O-N 3.26Å; N409-N411 VanDerWaalsContact O-N 3.14Å; N409-N411 WeakPolarHBondContact OD1-CB 3.47Å; N409-N411 PolarHBondContact OD1-N 3.4Å; N409-N411 VanDerWaalsContact OD1-N 3.14Å; N411-S413 VanDerWaalsContact C-N 3.26Å; N411-S413 PolarHBondContact O-N 3.24Å; N411-S413 VanDerWaalsContact O-N 3.09Å; N411-M414 WeakPolarHBondContact OD1-CB 3.47Å; N411-M414 WeakPolarHBondContact OD1-CG 3.3Å; N411-M414 PolarHBondContact OD1-N 3.09Å; N411-M414 VanDerWaalsContact OD1-N 3.15Å
412P30.7Very low33.1Very low111 Ų111119.4 Ų119.472%0.72172%0.721SS**  trans-55.7114.1135.227.1-28.3000104Y410 M414Y410-P412 WeakPolarHBondContact O-CD 3.5Å; P412-M414 PolarHBondContact O-N 3.02Å
413S36.8Very low32.8Very low105 Ų105120.2 Ų120.273%0.73473%0.729SS**  trans-26.994.2179.1-34.90000111.5N411 G415N411-S413 VanDerWaalsContact C-N 3.26Å; N411-S413 PolarHBondContact O-N 3.24Å; N411-S413 VanDerWaalsContact O-N 3.09Å; S413-G415 PolarHBondContact O-N 3.43Å
414M29.4Very low32.2Very low176 Ų176123.7 Ų123.787%0.86773%0.728SS**  trans-72.871.9161.5-80.3-91-78.500106.2N411 P412N411-M414 WeakPolarHBondContact OD1-CB 3.47Å; N411-M414 WeakPolarHBondContact OD1-CG 3.3Å; N411-M414 PolarHBondContact OD1-N 3.09Å; N411-M414 VanDerWaalsContact OD1-N 3.15Å; P412-M414 PolarHBondContact O-N 3.02Å
415G27.8Very low31.6Very low49 Ų49124.4 Ų124.451%0.50573%0.725SS.*  trans-152.486.2-173.500000106.4S413S413-G415 PolarHBondContact O-N 3.43Å
416Q29.4Very low31.4Very low201 Ų201126.9 Ų126.994%0.93973%0.725SS**SBendtrans86.4118.5149.6-50.6-162.9-2.400118.8
417G27Very low30.8Very low70 Ų70127.5 Ų127.572%0.72272%0.721SS**  trans92.487.2161.400000113.7
418Q26.9Very low30.7Very low145 Ų145126.8 Ų126.868%0.67872%0.715SS**SBend41.8124.351.7-75.7-73.5-10.800112.2F420Q418-F420 VanDerWaalsContact C-N 3.3Å; Q418-F420 HydrophobicContact CB-CD2 3.82Å; Q418-F420 HydrophobicContact CB-CE2 4.09Å; Q418-F420 HydrophobicContact CG-CE2 4.46Å; Q418-F420 PolarHBondContact O-N 2.85Å
419P30.5Very low30.5Very low115 Ų115128.4 Ų128.475%0.74771%0.712SS**SBendtrans-72.891.8173.131.9-29.2000106.9
420F27Very low30.8Very low163 Ų163131.2 Ų131.272%0.71572%0.721SS**  trans-129.9136.9164-72.2-69.2000109.9Q418Q418-F420 VanDerWaalsContact C-N 3.3Å; Q418-F420 HydrophobicContact CB-CD2 3.82Å; Q418-F420 HydrophobicContact CB-CE2 4.09Å; Q418-F420 HydrophobicContact CG-CE2 4.46Å; Q418-F420 PolarHBondContact O-N 2.85Å
421P38.7Very low30.9Very low112 Ų112123.4 Ų123.473%0.72770%0.702SS**  -92.3148.1-126.733.4-32.9000109.8
422C27.9Very low31.6Very low109 Ų109127.5 Ų127.574%0.73672%0.721SS**  trans-109.7107.5143.8-67.40000105.4Y424C422-Y424 HydrophobicContact CB-CD2 4.01Å; C422-Y424 HydrophobicContact CB-CE2 4.18Å; C422-Y424 PolarHBondContact O-N 3.4Å
423G23.9Very low31.9Very low70 Ų70130.1 Ų130.172%0.72272%0.723SS**  trans-54.6111.1159.700000107.6
424Y29Very low31.9Very low193 Ų193134.2 Ų134.276%0.75773%0.728SS**  trans-133.999.8153.8-80.1-76.1000106.6C422 I426C422-Y424 HydrophobicContact CB-CD2 4.01Å; C422-Y424 HydrophobicContact CB-CE2 4.18Å; C422-Y424 PolarHBondContact O-N 3.4Å; Y424-I426 PolarHBondContact O-N 3.37Å
425D27.2Very low31.9Very low135 Ų135130 Ų13072%0.72272%0.721SS**  trans-31.1104.3147-136.4-60.6000109.4N427D425-N427 PolarHBondContact OD1-ND2 3.17Å
426I33Very low32.2Very low142 Ų142136.2 Ų136.273%0.72874%0.739SS**  trans-114.572.5158.2-56.9177.5000106.4Y424Y424-I426 PolarHBondContact O-N 3.37Å
427N27.5Very low32.1Very low123 Ų123132.7 Ų132.766%0.65874%0.737SS**  trans-49.8138.7143.2-111.5-60.6000110.7D425D425-N427 PolarHBondContact OD1-ND2 3.17Å
428V42.1Very low32.3Very low99 Ų99134 Ų13460%0.674%0.735SS**SBendtrans74.124.1150.8-123.80000123.8A431V428-A431 HydrophobicContact CG1-CB 3.99Å
429Q35.9Very low32.5Very low156 Ų156138.2 Ų138.273%0.72975%0.745SS**SBendtrans-119.4-22.6164.1-88.2176.9-1.200116.9A431 M432Q429-A431 PolarHBondContact O-N 3.01Å; Q429-M432 PolarHBondContact O-N 3.32Å
430Q36.6Very low32.8Very low194 Ų194138.3 Ų138.391%0.90775%0.745SS**G310 helixtrans-75.4-9.9161.2-117.9167.3100112.7M432Q430-M432 PolarHBondContact O-N 3.23Å
431A34.2Very low33.1Very low57 Ų57136.7 Ų136.747%0.47175%0.751SS.*G310 helixtrans-73.7-4.1167.200000114.3V428 Q429V428-A431 HydrophobicContact CG1-CB 3.99Å; Q429-A431 PolarHBondContact O-N 3.01Å
432M41.4Very low32.7Very low153 Ų153133.8 Ų133.875%0.75474%0.742SS**G310 helixtrans-101.54.6-178.5-72.5-68-8300115.4Q429 Q430Q429-M432 PolarHBondContact O-N 3.32Å; Q430-M432 PolarHBondContact O-N 3.23Å
433H38.8Very low33.4Very low166 Ų166133.9 Ų133.977%0.76974%0.741SS**SBendtrans-106.8-6.1173.8-86.2-93.2000115.2
434F36.4Very low33.7Very low191 Ų191141.9 Ų141.984%0.83875%0.749SS**SBendtrans-141.442.9-175.7-86.7-80.7000115
435A28.9Very low34Very low88 Ų88141.9 Ų141.973%0.72775%0.754SS**SBendtrans-120.943.5158.700000111.5
436M33Very low34.1Very low179 Ų179143 Ų14388%0.88276%0.756SS**SBendtrans-149.7106.5159.7-76.3-161.3-100.900110.5
437S29.2Very low33.7Very low126 Ų126141 Ų14188%0.88176%0.755SS**  trans15.2102.4156.3172.90000118.6
438S30Very low33.8Very low99 Ų99142.1 Ų142.169%0.69276%0.761SS**  -159.9119.8128.148.90000109.1
439R32.1Very low33.2Very low233 Ų233142.7 Ų142.788%0.87977%0.765SS**  trans-50.7136.7169.7-75.8175.2169.2-142.8-2.2108.8
440P36.5Very low32.7Very low117 Ų117138.6 Ų138.676%0.7676%0.764SS**  trans-55.8131.8162.324.3-31000107.8G442P440-G442 PolarHBondContact O-N 3.47Å
441P33.8Very low32.1Very low128 Ų128138.3 Ų138.383%0.83176%0.76SS**  trans-63.2109.1177-14.527.3000107.9
442G28.5Very low31.9Very low52 Ų52141.3 Ų141.354%0.53678%0.778SS.*  trans-56.5151.1165.500000109.4P440 R444P440-G442 PolarHBondContact O-N 3.47Å; G442-R444 PolarHBondContact O-N 3.06Å
443P43.5Very low31.1Very low111 Ų111137.7 Ų137.772%0.72177%0.773SS**  trans-53.4114.3178.821-31000109.6F445P443-F445 HydrophobicContact CG-CE2 4.47Å; P443-F445 PolarHBondContact O-N 3.36Å
444R29.8Very low30.4Very low237 Ų237134.3 Ų134.389%0.89477%0.768SS**  trans-66.8101.2166.1-76.1-174.5175.9-171-0.7106.6G442 M446G442-R444 PolarHBondContact O-N 3.06Å; R444-M446 PolarHBondContact O-N 3.23Å
445F36.1Very low30Very low193 Ų193129.9 Ų129.985%0.84677%0.766SS**  trans-68.595157.6-75.8-80.3000107P443 S447P443-F445 HydrophobicContact CG-CE2 4.47Å; P443-F445 PolarHBondContact O-N 3.36Å; F445-S447 PolarHBondContact O-N 3.34Å; F445-S447 VanDerWaalsContact O-N 3.1Å
446M29.1Very low30Very low159 Ų159132.1 Ų132.178%0.78377%0.766SS**  trans-57.7111.4159.1-75.5167.559.500106.9R444 N448R444-M446 PolarHBondContact O-N 3.23Å; M446-N448 PolarHBondContact O-N 3.48Å
447S24Very low29.7Very low99 Ų99130.1 Ų130.169%0.69276%0.764SS**  trans-50.2101.9158.1146.50000108.5F445F445-S447 PolarHBondContact O-N 3.34Å; F445-S447 VanDerWaalsContact O-N 3.1Å
448N30.3Very low29.5Very low147 Ų147128.1 Ų128.179%0.78676%0.755SS**  trans-110.387.5151.7-92.910.5000107.2M446 G450M446-N448 PolarHBondContact O-N 3.48Å; N448-G450 PolarHBondContact O-N 2.8Å
449V28.7Very low29.4Very low112 Ų112130 Ų13068%0.67976%0.763SS**  trans-61.2111.3149.3178.30000106.6F451V449-F451 HydrophobicContact CG1-CD2 3.69Å; V449-F451 HydrophobicContact CG1-CE2 4.24Å
450G26.7Very low29.1Very low70 Ų70123.2 Ų123.272%0.72276%0.756SS**  trans-132.279.4158.300000106.7N448 S452N448-G450 PolarHBondContact O-N 2.8Å; G450-S452 PolarHBondContact O-N 3.01Å
451F23.4Very low28.6Very low187 Ų187124.4 Ų124.482%0.8276%0.761SS**  trans-55.7121.5161.3-90.5-94.6000108.1V449V449-F451 HydrophobicContact CG1-CD2 3.69Å; V449-F451 HydrophobicContact CG1-CE2 4.24Å
452S28.7Very low28.1Very low120 Ų120123.8 Ų123.884%0.83975%0.754SS**  trans-120.682.7142.652.60000107.4G450G450-S452 PolarHBondContact O-N 3.01Å
453A25.4Very low27.9Very low78 Ų78128.8 Ų128.865%0.64577%0.766SS**  trans-55.2145.2151.900000108A455A453-A455 PolarHBondContact O-N 3.06Å
454S25Very low27.2Very low95 Ų95132.1 Ų132.166%0.66477%0.774SS**  trans-54.5132.7175.773.80000108.8D456S454-D456 PolarHBondContact O-N 2.88Å
455A27.5Very low27Very low97 Ų97125.8 Ų125.880%0.80277%0.772SS**  trans-74.842.4178.700000111.8A453 T457A453-A455 PolarHBondContact O-N 3.06Å; A455-T457 PolarHBondContact O-N 2.92Å
456D28.1Very low26.6Very low135 Ų135119.7 Ų119.772%0.72276%0.764SS**SBendtrans-82.5108.2153-75.2-45.8000105.4S454S454-D456 PolarHBondContact O-N 2.88Å
457T28Very low26.6Very low138 Ų138120 Ų12085%0.84777%0.769SS**SBendtrans89.859177.9-5.70000117.3A455A455-T457 PolarHBondContact O-N 2.92Å
458A25.2Very low26.9Very low84 Ų84126.8 Ų126.869%0.69478%0.779SS**  trans-134.284.5136.600000108.6A460A458-A460 PolarHBondContact O-N 3.09Å
459T26.6Very low26.7Very low139 Ų139125 Ų12585%0.85378%0.775SS**  trans-53.599.7160.841.50000109.2
460A25.8Very low26.6Very low90 Ų90128.9 Ų128.974%0.74479%0.786SS**  trans172.773.6148.800000110A458A458-A460 PolarHBondContact O-N 3.09Å
461V26.5Very low26.7Very low142 Ų142133.8 Ų133.886%0.86179%0.788SS**  trans-132.781.2158.8-169.60000109
462V22.8Very low27.1Very low114 Ų114130.4 Ų130.469%0.69179%0.785SS**  trans-89.2138147.4157.80000106.2
463M24.4Very low27Very low158 Ų158129.3 Ų129.378%0.77878%0.783SS**  trans66.4108.7163.6-65.2161.5-160.100116.6
464M29.2Very low27.1Very low180 Ų180129 Ų12989%0.88779%0.787SS**  179.9137.992.3-85.8-59.5-11200110
465A25.1Very low27.5Very low104 Ų104130 Ų13086%0.8679%0.792SS**  trans-57.2154.917100000112.9
466G28.1Very low27.4Very low65 Ų65133.6 Ų133.667%0.6779%0.792SS**  trans155.692.6163.100000114.4
467D30.1Very low27.6Very low167 Ų167132.4 Ų132.489%0.89379%0.789SS**  trans57.479.4147.4-59.5-48000119.6
468R28.7Very low27.8Very low240 Ų240126.8 Ų126.891%0.90676%0.757SS**  trans-131.9141.2139.9-111.9-170.7168.4-169.5-2.9109.5Q470R468-Q470 PolarHBondContact O-N 2.76Å
469P27.1Very low28Very low109 Ų109126.6 Ų126.671%0.70875%0.749SS**PPolyproline II helixtrans-68.9131.2-16627.2-33.1000111.9F471P469-F471 PolarHBondContact O-N 3.25Å
470Q25.7Very low27.8Very low195 Ų195121.6 Ų121.691%0.91172%0.719SS**PPolyproline II helixtrans-53.3116.8164-76.3163.9-19.800109.7R468R468-Q470 PolarHBondContact O-N 2.76Å
471F29.7Very low27.9Very low172 Ų172125.6 Ų125.675%0.75472%0.722SS**PPolyproline II helixtrans-93150.2150.7-94.6-87.5000108.2P469P469-F471 PolarHBondContact O-N 3.25Å
472P30.8Very low28Very low117 Ų117123.3 Ų123.376%0.7671%0.71SS**PPolyproline II helixtrans-73.6140.4-152.728.7-33.2000112.7
473A27.8Very low28.3Very low97 Ų97124.3 Ų124.380%0.80272%0.716SS**PPolyproline II helixtrans-63.8137.8159.600000110.2
474G26.6Very low28.6Very low70 Ų70121.5 Ų121.572%0.72271%0.71SS**  trans158.3140.1158.300000114.6
475P32.9Very low28.3Very low117 Ų117124.4 Ų124.476%0.7671%0.713SS**  cis-100122-13.333.2-20000110.7V477P475-V477 HydrophobicContact CB-CG2 4.29Å; P475-V477 PolarHBondContact O-N 3.47Å
476E26.2Very low28.4Very low172 Ų172123 Ų12380%0.80471%0.709SS**  trans-81.3101.8164.8-165.1177.6179.100106.4
477V33.4Very low28.4Very low110 Ų110125.7 Ų125.767%0.66771%0.714SS**  trans-94.5111.6176.6-174.10000107.4P475P475-V477 HydrophobicContact CB-CG2 4.29Å; P475-V477 PolarHBondContact O-N 3.47Å
478A31.3Very low28.1Very low21 Ų21124.3 Ų124.317%0.17471%0.712CS.*  trans-95.6-172.8-168.500000114.7Q506 A507 E508A478-Q506 HydrophobicContact CB-CG 3.63Å; A478-A507 VanDerWaalsContact C-CB 3.48Å; A478-A507 CarbonylContact O-C 3.19Å; A478-A507 WeakPolarHBondContact O-CA 3.42Å; A478-A507 WeakPolarHBondContact O-CB 3.3Å; A478-E508 VanDerWaalsContact C-OE1 3.27Å; A478-E508 VanDerWaalsContact O-CG 3.25Å; A478-E508 WeakPolarHBondContact O-CG 3.45Å; A478-E508 PolarHBondContact O-N 3.28Å
479P28.7Very low28.1Very low80 Ų80116.9 Ų116.952%0.51970%0.702SS.*  trans-71.1139-163.5-13.222.1000130.3A507 E508P479-A507 CarbonylContact O-C 3.52Å; P479-A507 WeakPolarHBondContact O-CB 3.34Å; P479-E508 WeakPolarHBondContact CA-OE2 3.33Å; P479-E508 HydrophobicContact CB-CB 4.24Å; P479-E508 HydrophobicContact CB-CG 4.21Å; P479-E508 WeakPolarHBondContact CB-OE2 3.3Å; P479-E508 VanDerWaalsContact CD-CD 3.42Å; P479-E508 WeakPolarHBondContact CD-OE1 3.4Å; P479-E508 HydrophobicContact CG-CG 4.48Å; P479-E508 VanDerWaalsContact CG-OE1 3.26Å; P479-E508 WeakPolarHBondContact CG-OE1 3.04Å; P479-E508 WeakPolarHBondContact CG-OE2 3.35Å; P479-E508 VanDerWaalsContact N-OE1 3.13Å
480C23.2Very low28.2Very low34 Ų34117.8 Ų117.823%0.2371%0.705CS.*  trans-20.9142.5-161.9-137.60000117.5A507 E508 M509C480-A507 CarbonylContact C-O 3.59Å; C480-A507 WeakPolarHBondContact CA-O 3.21Å; C480-A507 PolarHBondContact N-O 3.46Å; C480-E508 VanDerWaalsContact CA-O 3.31Å; C480-E508 WeakPolarHBondContact CA-O 3.01Å; C480-E508 WeakPolarHBondContact CB-O 3.31Å; C480-E508 VanDerWaalsContact N-CB 3.32Å; C480-E508 PolarHBondContact SG-O 3.3Å; C480-M509 HydrophobicContact CB-CB 4.34Å; C480-M509 WeakPolarHBondContact CB-O 3.14Å; C480-M509 PolarHBondContact SG-N 2.79Å; C480-M509 PolarHBondContact SG-O 2.89Å
481E27.7Very low28.1Very low173 Ų173115.2 Ų115.281%0.80870%0.698SS**  -148.4138.8109-77.7-133.9148.300113.6A507E481-A507 PolarHBondContact N-O 2.81Å
482P28.6Very low28Very low95 Ų95115.4 Ų115.462%0.61770%0.701SS**  trans-95.4179.5177.433.9-22.8000112.7
483V30Very low27.8Very low134 Ų134113.4 Ų113.481%0.81270%0.701SS**  trans105.6140161.7-171.30000114.7
484P30.6Very low27.8Very low100 Ų100118 Ų11865%0.64971%0.706SS**  cis-140167.1-43.439.1-20.1000114.1
485Y22.9Very low27.6Very low240 Ų240118.8 Ų118.894%0.94171%0.706SS**  trans37.1112.7146.9-80.3-96.1000121.2
486G25.7Very low27.1Very low75 Ų75121 Ų12177%0.77371%0.71SS**  trans-160.8131.5156.600000111.7
487P28.9Very low27Very low122 Ų122123.4 Ų123.479%0.79271%0.712SS**  trans-97.3151.8-156.137.5-34.8000115.7
488V24.6Very low26.6Very low138 Ų138124.4 Ų124.484%0.83671%0.714SS**  trans22.1123.6136.3-167.90000119.3
489A28.2Very low26.2Very low84 Ų84128.6 Ų128.669%0.69474%0.742SS**  trans-174.6106.8137.100000108.9
490T29.8Very low26Very low128 Ų128127.7 Ų127.779%0.78575%0.747SS**  61.6112.598.240.90000116.4
491D22.2Very low26.1Very low141 Ų141137.5 Ų137.575%0.75478%0.781SS**  86.2136.4120.6-151.527.7000120.2
492E28.3Very low26.3Very low175 Ų175133.7 Ų133.782%0.81878%0.779SS**  trans64.6136.1166.6-50.1-142.4146.300121.2
493G25.9Very low26Very low75 Ų75135.5 Ų135.577%0.77379%0.788SS**  trans133.193.7150.100000115.1
494H27.6Very low26Very low193 Ų193138.7 Ų138.789%0.89479%0.787SS**  trans-52.5150.4169.5-70.6-80.2000114.8
495A24Very low25.8Very low87 Ų87141 Ų14172%0.71979%0.789SS**  trans79.1116.2145.400000119.6
496L22.3Very low25.9Very low164 Ų164135.4 Ų135.486%0.85977%0.771SS**  trans73.8119.1141.3-98.593.9000119.1
497R24.3Very low26.2Very low223 Ų223133.7 Ų133.784%0.84275%0.75SS**  122.5111.2118.6-141.3-172168.6-164.8-2.8114.1
498N23Very low26.1Very low131 Ų131132.3 Ų132.370%0.70173%0.733SS**  trans88.7124.9138.2-136.60.3000120.8
499S24.7Very low26.2Very low108 Ų108132.4 Ų132.476%0.75573%0.726SS**  trans56.3118.1137.1-76.30000120.3
500G24Very low26.2Very low61 Ų61131.4 Ų131.463%0.62972%0.724SS**  114.4106.7105.400000116.1
501Y24.7Very low26Very low240 Ų240132.8 Ų132.894%0.94173%0.726SS**  trans51.8116.7140.5-65.5-86.5000120
502A31.5Very low26.4Very low93 Ų93135.3 Ų135.377%0.76973%0.731SS**  -162.5123.6120.400000110.7
503V23.2Very low26.2Very low133 Ų133130.6 Ų130.681%0.80673%0.729SS**  trans-88.7123.3170.5168.40000108
504Y29.9Very low26.9Very low201 Ų201132.5 Ų132.579%0.78873%0.728SS**  trans-138.6110159-91.7-83.2000109.8
505Q27.3Very low27.1Very low150 Ų150128.8 Ų128.870%0.70172%0.723SS**  trans29.4114.7139.6-67.9166.329.700117.8
506Q24.3Very low27.4Very low121 Ų121131 Ų13157%0.56573%0.729SS**  63.811381.5-155.3168.311.200108A478A478-Q506 HydrophobicContact CB-CG 3.63Å
507A32Very low27.6Very low39 Ų39127 Ų12732%0.32273%0.727SS.*  -175.8163.758.300000114A478 P479 C480 E481A478-A507 VanDerWaalsContact C-CB 3.48Å; A478-A507 CarbonylContact O-C 3.19Å; A478-A507 WeakPolarHBondContact O-CA 3.42Å; A478-A507 WeakPolarHBondContact O-CB 3.3Å; P479-A507 CarbonylContact O-C 3.52Å; P479-A507 WeakPolarHBondContact O-CB 3.34Å; C480-A507 CarbonylContact C-O 3.59Å; C480-A507 WeakPolarHBondContact CA-O 3.21Å; C480-A507 PolarHBondContact N-O 3.46Å; E481-A507 PolarHBondContact N-O 2.81Å
508E26.1Very low28.1Very low93 Ų93120 Ų12044%0.43572%0.724SS.*  trans-31.8-112.7-170.4-46.5134.8-165.400126.1A478 P479 C480A478-E508 VanDerWaalsContact C-OE1 3.27Å; A478-E508 VanDerWaalsContact O-CG 3.25Å; A478-E508 WeakPolarHBondContact O-CG 3.45Å; A478-E508 PolarHBondContact O-N 3.28Å; P479-E508 WeakPolarHBondContact CA-OE2 3.33Å; P479-E508 HydrophobicContact CB-CB 4.24Å; P479-E508 HydrophobicContact CB-CG 4.21Å; P479-E508 WeakPolarHBondContact CB-OE2 3.3Å; P479-E508 VanDerWaalsContact CD-CD 3.42Å; P479-E508 WeakPolarHBondContact CD-OE1 3.4Å; P479-E508 HydrophobicContact CG-CG 4.48Å; P479-E508 VanDerWaalsContact CG-OE1 3.26Å; P479-E508 WeakPolarHBondContact CG-OE1 3.04Å; P479-E508 WeakPolarHBondContact CG-OE2 3.35Å; P479-E508 VanDerWaalsContact N-OE1 3.13Å; C480-E508 VanDerWaalsContact CA-O 3.31Å; C480-E508 WeakPolarHBondContact CA-O 3.01Å; C480-E508 WeakPolarHBondContact CB-O 3.31Å; C480-E508 VanDerWaalsContact N-CB 3.32Å; C480-E508 PolarHBondContact SG-O 3.3Å
509M27.9Very low28.3Very low140 Ų140122.5 Ų122.569%0.6973%0.733SS**  -100125.1-126.4-137.5169.4-80.500117.7C480C480-M509 HydrophobicContact CB-CB 4.34Å; C480-M509 WeakPolarHBondContact CB-O 3.14Å; C480-M509 PolarHBondContact SG-N 2.79Å; C480-M509 PolarHBondContact SG-O 2.89Å
510G26.5Very low28.3Very low63 Ų63124.3 Ų124.365%0.64974%0.735SS**  149.3166.370.500000112.2
511D27.3Very low28.5Very low157 Ų157130.9 Ų130.984%0.8475%0.746SS**  trans92.9146.9169.8-136.1-17000118.9
512F29.5Very low29.2Very low195 Ų195126.6 Ų126.686%0.85574%0.744SS**  trans101.5106179-75.1-86.5000120.2
513G25.3Very low29.2Very low76 Ų76126 Ų12678%0.78474%0.735SS**  trans165.698.313500000116.4
514P40.3Very low29.4Very low114 Ų114124.7 Ų124.774%0.7473%0.731SS**  trans-122138.414635.4-24000111.1
515S31.4Very low29.3Very low115 Ų115118.3 Ų118.380%0.80473%0.727SS**  trans-173.7133.8152.1-92.40000114.3
516T30.5Very low29.3Very low135 Ų135119.9 Ų119.983%0.82873%0.734SS**  trans35.3123.8147.136.40000121.8
517G25.6Very low29.2Very low80 Ų80122.2 Ų122.283%0.82575%0.747SS**SBendtrans73.8126.9138.300000116.2
518G35Very low29.3Very low75 Ų75126.4 Ų126.477%0.77377%0.771SS**SBendtrans83135.3173.600000113.2
519M27Very low29.3Very low183 Ų183130.2 Ų130.290%0.90179%0.789SS**SBendtrans23.9105.6162.5-59.5-179.1-156.400117.8
520N25.7Very low29.2Very low146 Ų146128.2 Ų128.278%0.78179%0.794SS**  trans66.990.2152.3-62.3-31.9000116V522N520-V522 PolarHBondContact O-N 3.31Å
521K28.5Very low29.3Very low199 Ų199131.3 Ų131.387%0.86581%0.806SS**  trans-5886.8154.9-62.8-171.5178.9-161.20109S523K521-S523 PolarHBondContact O-N 3.03Å
522V37.7Very low29.4Very low150 Ų150127.1 Ų127.191%0.90980%0.8SS**  trans-69.284.1150.6-100.20000105.7N520N520-V522 PolarHBondContact O-N 3.31Å
523S32.9Very low29.4Very low82 Ų82128.1 Ų128.157%0.57380%0.804SS**  trans-92.4131.6-175.2-147.20000108.3K521K521-S523 PolarHBondContact O-N 3.03Å
524S26.1Very low29.4Very low104 Ų104128.7 Ų128.773%0.72781%0.81SS**  trans15.3132.6130.762.20000117.7
525G29.3Very low28.8Very low67 Ų67126 Ų12669%0.69180%0.803SS**  trans106.9123.1134.700000114.6
526Q27.3Very low28.6Very low183 Ų183124 Ų12486%0.85580%0.801SS**  trans67103.3150.7-65.2173.3-6.600114.9P528Q526-P528 VanDerWaalsContact O-CD 3.27Å; Q526-P528 WeakPolarHBondContact O-CD 3.22Å
527M22.5Very low28.7Very low171 Ų171128.7 Ų128.784%0.84281%0.805SS**  -53.8124.6129.6-70.3-134.7-66.500107.5Q529M527-Q529 PolarHBondContact O-N 3.15Å
528P33.9Very low29Very low126 Ų126132.3 Ų132.382%0.81880%0.804SS**  trans-66.593.6143.421.9-13.3000105.9Q526Q526-P528 VanDerWaalsContact O-CD 3.27Å; Q526-P528 WeakPolarHBondContact O-CD 3.22Å
529Q25.8Very low29Very low174 Ų174133.7 Ų133.781%0.81381%0.808SS**  trans-32.6137.6148.1-162.4179.935.400110M527 S531M527-Q529 PolarHBondContact O-N 3.15Å; Q529-S531 PolarHBondContact O-N 2.81Å
530A25.4Very low29.2Very low97 Ų97133.5 Ų133.580%0.80280%0.804SS**  trans-44134.2175.500000112.9
531S29.2Very low29.4Very low129 Ų129129.9 Ų129.990%0.90280%0.802SS**  trans-165.6128.1140.1-156.10000111.9Q529Q529-S531 PolarHBondContact O-N 2.81Å
532G29.2Very low29.5Very low69 Ų69129.7 Ų129.771%0.71180%0.802SS**  trans95.370.4168.800000114.6
533K29.7Very low29Very low216 Ų216129.5 Ų129.594%0.93980%0.795SS**  36.5106.695.4-83.7-174.1175.41780115
534G24.4Very low28.7Very low88 Ų88133.5 Ų133.591%0.90780%0.803SS**  trans92.2106.7141.500000116.8
535G28.2Very low28.7Very low58 Ų58136.8 Ų136.860%0.59881%0.806SS**  trans-160.569.9168.800000110.9Y537G535-Y537 PolarHBondContact O-N 3.24Å
536G26Very low29Very low73 Ų73141 Ų14175%0.75381%0.812SS**  trans-67.6124.6169.100000109.9I538G536-I538 PolarHBondContact O-N 3.19Å
537Y33.4Very low29Very low233 Ų233140.8 Ų140.891%0.91481%0.812SS**  trans-79.6105.7172.4-60.7-83.9000108.8G535 A539G535-Y537 PolarHBondContact O-N 3.24Å; Y537-A539 PolarHBondContact O-N 3.41Å
538I31.6Very low29Very low156 Ų156136.6 Ų136.680%0.881%0.812SS**  trans-73.3116.3169.4-55.7168000106.6G536 Q540G536-I538 PolarHBondContact O-N 3.19Å; I538-Q540 PolarHBondContact O-N 3.42Å; I538-Q540 VanDerWaalsContact O-N 3.08Å
539A36Very low28.5Very low104 Ų104134.1 Ų134.186%0.8681%0.809SS**  trans-72.695.1171.800000109.1Y537Y537-A539 PolarHBondContact O-N 3.41Å
540Q30.3Very low29.1Very low178 Ų178131.8 Ų131.883%0.83281%0.809SS**  trans-81.7127.3176.2-163.9169.9-11.800109.3I538I538-Q540 PolarHBondContact O-N 3.42Å; I538-Q540 VanDerWaalsContact O-N 3.08Å
541G30.4Very low29.2Very low71 Ų71132.5 Ų132.573%0.73281%0.808SS**  trans-60.1146.1-172.500000114.6D543G541-D543 PolarHBondContact O-N 3.06Å
542F29.6Very low29Very low195 Ų195135.2 Ų135.286%0.85581%0.807SS**  trans-74.7113.6171.5-72.4-94.3000109.4
543D27.1Very low28.9Very low145 Ų145135.2 Ų135.278%0.77581%0.806SS**  trans-90.7116.7166.8-153.4-52.3000107.8G541G541-D543 PolarHBondContact O-N 3.06Å
544F28.4Very low29.4Very low167 Ų167131.4 Ų131.473%0.73280%0.804SS**  trans-96.285.5177-97.1-87.1000108.9L546F544-L546 HydrophobicContact CD1-CD1 4.06Å; F544-L546 HydrophobicContact CE1-CD1 4.26Å; F544-L546 PolarHBondContact O-N 2.93Å
545E24.5Very low29.5Very low172 Ų172132.4 Ų132.480%0.80480%0.797SS**  trans-83.284.9157.8-76.2-166.3112.800109
546L36.8Very low29.4Very low156 Ų156138 Ų13882%0.81781%0.81SS**  trans-103109.2160.5-91.6167.9000109.2F544F544-L546 HydrophobicContact CD1-CD1 4.06Å; F544-L546 HydrophobicContact CE1-CD1 4.26Å; F544-L546 PolarHBondContact O-N 2.93Å
547Q27.3Very low29.7Very low179 Ų179139.2 Ų139.284%0.83680%0.804SS**  trans-93.4117.7-172.3-164.3146.139.500110.7
548G21.4Very low29.3Very low82 Ų82137.3 Ų137.385%0.84581%0.806SS**  trans75.9102.9143.400000121.1
549G24.9Very low29.4Very low74 Ų74136.1 Ų136.176%0.76381%0.806SS**  trans170.7121.5154.100000113.8
550P36.6Very low28.9Very low126 Ų126137.8 Ų137.882%0.81880%0.8SS**  trans-94.1121.6-171.334.7-27.8000111.3
551S27.8Very low28.8Very low111 Ų111135.8 Ų135.878%0.77680%0.795SS**  trans165.8123.7139.8-78.60000111.7
552Q25.8Very low29Very low187 Ų187138 Ų13887%0.87479%0.794SS**  trans66.292.9153.4-60.9-174.4-3.300117.8
553G27.5Very low29.1Very low68 Ų68137.7 Ų137.770%0.70179%0.793SS**  trans-65.1145.2152.300000111.3S555G553-S555 PolarHBondContact O-N 3.23Å
554P39Very low29.4Very low137 Ų137137.4 Ų137.489%0.8980%0.796SS**  trans-71.8116171.128.9-29.9000108.8
555S26.7Very low29.2Very low109 Ų109135.6 Ų135.676%0.76279%0.794SS**  trans-85.8145.8162.949.60000108.9G553G553-S555 PolarHBondContact O-N 3.23Å
556M25.8Very low29.6Very low175 Ų175131.5 Ų131.586%0.86279%0.79SS**  trans118.7153.5161.4-66.4-88.4-85.200115.6
557P32.1Very low29.3Very low99 Ų99129.8 Ų129.864%0.64379%0.786SS**  cis-124.9155.7-1728.7-8.7000113.9V559P557-V559 PolarHBondContact O-N 3.39Å
558M25.2Very low29.3Very low193 Ų193129.4 Ų129.495%0.95179%0.786SS**  trans-69.3110.2177.7-63.9179.4-64.100111.9
559V33.7Very low29.8Very low130 Ų130131 Ų13179%0.78878%0.784SS**  trans-84.4121.1170.7-1710000109.4P557 N561P557-V559 PolarHBondContact O-N 3.39Å; V559-N561 PolarHBondContact O-N 3.24Å
560N25.8Very low30.1Very low139 Ų139134.7 Ų134.774%0.74379%0.785SS**  trans-74.6108.3-176.8-1762000110.9T562N560-T562 PolarHBondContact O-N 2.75Å
561N29.2Very low29.8Very low136 Ų136137.2 Ų137.273%0.72779%0.786SS**  trans-7197177.3-89-6.2000111.3V559 F563V559-N561 PolarHBondContact O-N 3.24Å; N561-F563 PolarHBondContact O-N 3.42Å
562T34.4Very low30Very low117 Ų117141 Ų14172%0.71879%0.792SS**  trans-80.7111165.5-60.80000108.4N560 V564N560-T562 PolarHBondContact O-N 2.75Å; T562-V564 PolarHBondContact O-N 2.96Å
563F32.2Very low30.4Very low190 Ų190138 Ų13883%0.83379%0.786SS**  trans-65.7109.6177.5-80.1-99000110.8N561 N565N561-F563 PolarHBondContact O-N 3.42Å; F563-N565 PolarHBondContact O-N 3.29Å
564V31.6Very low30.4Very low138 Ų138140.5 Ų140.584%0.83678%0.783SS**  trans-78.8105163.3-177.50000107.6T562 A566T562-V564 PolarHBondContact O-N 2.96Å; V564-A566 PolarHBondContact O-N 3.44Å
565N26.1Very low30.1Very low129 Ų129140.3 Ų140.369%0.6977%0.773SS**  trans-77.793174.5-176.215000109.3F563 T567F563-N565 PolarHBondContact O-N 3.29Å; N565-T567 PolarHBondContact O-N 3.16Å
566A31.6Very low30.3Very low86 Ų86142.8 Ų142.871%0.71177%0.772SS**  trans-88.978.7170.700000110V564 M568V564-A566 PolarHBondContact O-N 3.44Å; A566-M568 PolarHBondContact O-N 3.31Å; A566-M568 VanDerWaalsContact O-N 3.1Å
567T30.9Very low30.5Very low120 Ų120141.9 Ų141.974%0.73677%0.771SS**  trans-67.393.6160.725.20000109.2N565N565-T567 PolarHBondContact O-N 3.16Å
568M27.6Very low30.4Very low172 Ų172142.9 Ų142.985%0.84778%0.775SS**  trans-92.2111.8156.4-72.6-136-6100108.2A566 I570A566-M568 PolarHBondContact O-N 3.31Å; A566-M568 VanDerWaalsContact O-N 3.1Å; M568-I570 PolarHBondContact O-N 3.36Å; M568-I570 VanDerWaalsContact O-N 3.11Å
569S31.1Very low30.6Very low115 Ų115138.7 Ų138.780%0.80477%0.765SS**  trans-61.1105.1175.655.60000110.4Q571S569-Q571 PolarHBondContact O-N 2.77Å
570I30.9Very low30.6Very low151 Ų151138.3 Ų138.377%0.77477%0.765SS**  trans-86.7109.3166.3-58.2174.9000106.2M568 Q572M568-I570 PolarHBondContact O-N 3.36Å; M568-I570 VanDerWaalsContact O-N 3.11Å; I570-Q572 PolarHBondContact O-N 3.08Å; I570-Q572 VanDerWaalsContact O-N 3.12Å
571Q29.9Very low30.7Very low179 Ų179142 Ų14284%0.83677%0.77SS**  trans-50.2115.2170.1-71.9165.5-1.600108.6S569 V573S569-Q571 PolarHBondContact O-N 2.77Å; Q571-V573 PolarHBondContact O-N 2.96Å; Q571-V573 VanDerWaalsContact O-N 3.1Å
572Q33.7Very low31Very low192 Ų192141.3 Ų141.390%0.89777%0.773SS**  trans-65.8109.2175.1-73.1175.4-7.100108.1I570 N574I570-Q572 PolarHBondContact O-N 3.08Å; I570-Q572 VanDerWaalsContact O-N 3.12Å; Q572-N574 PolarHBondContact O-N 2.99Å
573V32.7Very low30.7Very low124 Ų124139.2 Ų139.275%0.75278%0.775SS**  trans-61.9123.3162.3-84.30000108.2Q571 I575Q571-V573 PolarHBondContact O-N 2.96Å; Q571-V573 VanDerWaalsContact O-N 3.1Å; V573-I575 PolarHBondContact O-N 3.26Å; V573-I575 VanDerWaalsContact O-N 3.11Å
574N28.5Very low30.5Very low119 Ų119135.2 Ų135.264%0.63677%0.77SS**  trans-62.6105.2178.8-177.32.9000110Q572 Q576Q572-N574 PolarHBondContact O-N 2.99Å; N574-Q576 VanDerWaalsContact OD1-CB 3.22Å; N574-Q576 WeakPolarHBondContact OD1-CB 3.25Å; N574-Q576 VanDerWaalsContact OD1-CD 3.3Å; N574-Q576 WeakPolarHBondContact OD1-CG 3.12Å; N574-Q576 PolarHBondContact OD1-N 2.93Å
575I32.7Very low30.4Very low134 Ų134136 Ų13669%0.68778%0.775SS**  trans-107.556.5167-41.4179.1000108.8V573 N577 V578V573-I575 PolarHBondContact O-N 3.26Å; V573-I575 VanDerWaalsContact O-N 3.11Å; I575-N577 VanDerWaalsContact C-N 3.31Å; I575-N577 PolarHBondContact O-N 3.13Å; I575-N577 VanDerWaalsContact O-N 3.13Å; I575-V578 HydrophobicContact CG2-CG2 3.97Å
576Q31Very low30.5Very low160 Ų160136.6 Ų136.675%0.74878%0.777SS**  trans-74.484.5160-78.8165.45.500108.9N574N574-Q576 VanDerWaalsContact OD1-CB 3.22Å; N574-Q576 WeakPolarHBondContact OD1-CB 3.25Å; N574-Q576 VanDerWaalsContact OD1-CD 3.3Å; N574-Q576 WeakPolarHBondContact OD1-CG 3.12Å; N574-Q576 PolarHBondContact OD1-N 2.93Å
577N30Very low30.1Very low157 Ų157137.6 Ų137.684%0.8478%0.778SS**  trans175.550146.4-97.7-6.9000112.5I575I575-N577 VanDerWaalsContact C-N 3.31Å; I575-N577 PolarHBondContact O-N 3.13Å; I575-N577 VanDerWaalsContact O-N 3.13Å
578V29.7Very low30Very low120 Ų120140.3 Ų140.373%0.72779%0.785SS**  trans-12378.2158.3-132.20000106.8I575 P580I575-V578 HydrophobicContact CG2-CG2 3.97Å; V578-P580 VanDerWaalsContact O-CD 3.3Å; V578-P580 WeakPolarHBondContact O-CD 3.26Å
579S29.1Very low29.7Very low104 Ų104141 Ų14173%0.72779%0.786SS**  trans-65119.3165.4-91.40000107.9Y581S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.09Å
580P33.5Very low29.5Very low122 Ų122139.1 Ų139.179%0.79279%0.785SS**  trans-82.786.1178.733-29.4000108.6V578V578-P580 VanDerWaalsContact O-CD 3.3Å; V578-P580 WeakPolarHBondContact O-CD 3.26Å
581Y28.4Very low29.2Very low216 Ų216143.6 Ų143.685%0.84779%0.792SS**  trans-106.4117.3160.1-96.3-82000109.2S579S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.09Å
582P35.6Very low29.5Very low122 Ų122140.3 Ų140.379%0.79279%0.786SS**  trans-79.3119.9173.131-28.4000109.2
583G28.1Very low29.1Very low73 Ų73135.7 Ų135.775%0.75378%0.781SS**  trans103.188.3161.800000116.3
584S28.8Very low28.7Very low106 Ų106136.6 Ų136.674%0.74178%0.777SS**  trans-145.5111.4154.1-66.10000108.2I586S584-I586 VanDerWaalsContact C-N 3.35Å; S584-I586 PolarHBondContact O-N 2.94Å
585V27.6Very low28.5Very low155 Ų155136.6 Ų136.694%0.93977%0.773SS**  trans-71.294.7170.4-165.50000106.2S587V585-S587 PolarHBondContact O-N 2.75Å
586I30.1Very low27.9Very low142 Ų142133.6 Ų133.673%0.72876%0.763SS**  trans-77.9109.9177.1-63.4164.9000107.8S584 M588S584-I586 VanDerWaalsContact C-N 3.35Å; S584-I586 PolarHBondContact O-N 2.94Å; I586-M588 HydrophobicContact CG2-CG 3.84Å
587S21.4Very low27.8Very low106 Ų106131.2 Ų131.274%0.74176%0.761SS**  trans-74.4117.7162.8173.30000109V585V585-S587 PolarHBondContact O-N 2.75Å
588M29Very low28.2Very low178 Ų178128.6 Ų128.688%0.87775%0.753SS**  trans-131.2129.4166.8-81-108.1-73.600109.8I586I586-M588 HydrophobicContact CG2-CG 3.84Å
589Q21.7Very low28.1Very low187 Ų187127.1 Ų127.187%0.87475%0.754SS**  trans-119.5131.9-166.3-173.9157.612.500108.9
590G27.1Very low28Very low75 Ų75128.2 Ų128.277%0.77376%0.758SS**  trans85.9155169.100000116.3
591R25.6Very low27.8Very low245 Ų245126.6 Ų126.693%0.92576%0.755SS**  cis-177.1172-13.2-127.2-170.2-171.8-133.45.3105.2
592P34.9Very low28.1Very low110 Ų110123.2 Ų123.271%0.71475%0.751SS**  -128.3174-103.940.7-24.5000116.7
593A25.2Very low27.8Very low94 Ų94125.8 Ų125.878%0.77775%0.753SS**  trans87.3153.615300000120.3
594Q25.4Very low28.3Very low143 Ų143128.9 Ų128.967%0.66876%0.757SS**  trans76.7133.6-177.4-63-172.8-18.500116.6
595Q23.3Very low28.2Very low119 Ų119126.8 Ų126.856%0.55675%0.753SS**  cis-166.9144-11.7-118.51594.100106.2R610 F612Q595-R610 VanDerWaalsContact C-CZ 3.48Å; Q595-R610 VanDerWaalsContact C-NH1 3.34Å; Q595-F612 WeakPolarHBondContact O-CE2 3.12Å; Q595-F612 WeakPolarHBondContact O-CZ 2.98Å
596C20.5Very low28.3Very low71 Ų71129 Ų12948%0.4875%0.75SS.*  trans-54.2150.4159.3-96.70000107.7R610C596-R610 VanDerWaalsContact CB-NH2 3.28Å; C596-R610 PolarHBondContact SG-NH2 3.01Å
597P29.9Very low28.3Very low110 Ų110130.9 Ų130.971%0.71476%0.758SS**  -145.5129.672.132.2-11.6000115.5
598P36.5Very low28.8Very low103 Ų103130.9 Ų130.967%0.66976%0.758SS**SBendtrans-70.4156130.333.4-26.6000107.3
599A29.2Very low29Very low89 Ų89128.5 Ų128.574%0.73676%0.756SS**  trans-36.5141.8-168.300000115.1A601A599-A601 VanDerWaalsContact C-N 3.31Å; A599-A601 PolarHBondContact O-N 3.36Å
600P26.1Very low29.3Very low127 Ų127125.8 Ų125.883%0.82574%0.737SS**SBendtrans-64.599.5163.429.8-30.6000107.7
601A30Very low29.5Very low87 Ų87132.2 Ų132.272%0.71974%0.744SS**  trans179.795.7130.300000107.4A599A599-A601 VanDerWaalsContact C-N 3.31Å; A599-A601 PolarHBondContact O-N 3.36Å
602N34.8Very low29.7Very low145 Ų145127.8 Ų127.878%0.77573%0.732SS**  92.475.992.4-147.1-4.1000110.1
603Q28.8Very low29.5Very low176 Ų176125.8 Ų125.882%0.82273%0.732SS**  trans-158.9119.1146.7-107.4169.676.300109.7
604T37.5Very low29.6Very low138 Ų138127.1 Ų127.185%0.84773%0.733SS**  trans-77.5129.1-170.136.20000113.3
605G28.1Very low29.6Very low63 Ų63126.7 Ų126.765%0.64974%0.739SS**  trans85.6135.3167.800000114.4
606F29.8Very low29.6Very low201 Ų201130.4 Ų130.488%0.88276%0.757SS**  cis-158.215011.3-91.8-100000107.6
607M29Very low29.8Very low181 Ų181137.5 Ų137.589%0.89277%0.773SS**  trans74.9131.5175.1-35.5-155.798.200114.6
608S31.5Very low29.7Very low107 Ų107137.5 Ų137.575%0.74878%0.776SS**  cis-166.2169.446.4-84.20000111.6
609P34.3Very low29.2Very low127 Ų127140 Ų14083%0.82578%0.784SS**  trans-83.1153-161.533.3-33.4000115.4
610R28.1Very low28.9Very low130 Ų130140.3 Ų140.349%0.49179%0.786SS.*  trans-88.6148-173.6-68.8179.5-175.5149.211.9114.2Q595 C596Q595-R610 VanDerWaalsContact C-CZ 3.48Å; Q595-R610 VanDerWaalsContact C-NH1 3.34Å; C596-R610 VanDerWaalsContact CB-NH2 3.28Å; C596-R610 PolarHBondContact SG-NH2 3.01Å
611F32Very low29Very low210 Ų210142.9 Ų142.992%0.92179%0.789SS**  trans-122.9130.8153.1-83.6-93.8000108.7
612F28.9Very low28.7Very low152 Ų152145.9 Ų145.967%0.66779%0.789SS**  trans-119.4128.7164.6-87.2-81000108.4Q595Q595-F612 WeakPolarHBondContact O-CE2 3.12Å; Q595-F612 WeakPolarHBondContact O-CZ 2.98Å
613G31.6Very low28.3Very low68 Ų68142.1 Ų142.170%0.70177%0.771SS**  trans-177.5146.9178.500000108.7
614P25.5Very low28.2Very low123 Ų123139.1 Ų139.180%0.79977%0.769SS**  -90.7135.5-106.729.6-34.9000115
615V27.2Very low27.7Very low134 Ų134143.2 Ų143.281%0.81277%0.771SS**  38.188.8129.4-1650000116.1
616Q22.7Very low27.8Very low197 Ų197143.9 Ų143.992%0.92177%0.771SS**  trans-126.2128.4148.3-114.7-165.915.300110.2
617R23.8Very low27.8Very low220 Ų220140.5 Ų140.583%0.8377%0.766SS**  trans-75.1135.9-180-61.1171.7175.9-154.4-2.1109.8
618S27.6Very low28.1Very low110 Ų110137.1 Ų137.177%0.76976%0.758SS**  trans-174.795.6135.738.80000106.1
619N26.6Very low28Very low156 Ų156137.2 Ų137.283%0.83476%0.758SS**  54.5109.687.2-80.76000112.3
620A23.8Very low27.9Very low95 Ų95135.5 Ų135.579%0.78576%0.755SS**  trans-38.5144.9158.100000113.5
621M27.8Very low27.9Very low180 Ų180133.2 Ų133.289%0.88777%0.771SS**  trans-168.9109.8131.3-102.4175.5-173.500108.3
622Q22.7Very low27.8Very low151 Ų151127 Ų12771%0.70677%0.766SS**  trans-54.8153.3140.2-66.3-172.410.200107.8P145P145-Q622 HydrophobicContact CG-CB 4.16Å
623T27.5Very low27.7Very low66 Ų66122.8 Ų122.841%0.40577%0.766SS.*  160133.4128.3-52.30000110.3R144R144-T623 HydrophobicContact CG-CG2 3.77Å
624S25.6Very low27.4Very low113 Ų113129.2 Ų129.279%0.7978%0.775SS**  trans-34.9141161.9-47.70000115.8
625Y27.7Very low27.4Very low223 Ų223131.1 Ų131.188%0.87577%0.773SS**  trans-114.3144149.6-76.6-86.7000106.2
626A31.2Very low27.3Very low78 Ų78133.4 Ų133.465%0.64578%0.775SS**  cis-172.2165-3.400000103.1
627V29.8Very low27.4Very low129 Ų129128.6 Ų128.678%0.78277%0.769SS**  -165.2176.366.7-159.10000107.9
628P34.5Very low27.9Very low111 Ų111122.9 Ų122.972%0.72176%0.76SS**  -88.3172.9-75.836.3-21.8000107.7
629S30.1Very low28.3Very low108 Ų108123 Ų12376%0.75576%0.758SS**  -176.7136.891-166.80000108.3
630A31.5Very low28.7Very low92 Ų92121.7 Ų121.776%0.7676%0.756SS**  trans65.192.8146.700000116.4
631G29Very low28.9Very low81 Ų81123.4 Ų123.484%0.83576%0.756SS**  99.4138.3103.700000116.1
632G27.8Very low28.9Very low79 Ų79126 Ų12681%0.81476%0.757SS**  trans80.1100.7169.600000111.2
633G28.7Very low29.4Very low64 Ų64124.9 Ų124.966%0.6676%0.762SS**  96.5131.162.800000107.1
634K23.6Very low29.5Very low203 Ų203128.6 Ų128.688%0.88378%0.779SS**  40.897.967.2-59.4-170.9175.3-176.30107
635Q26.2Very low29.3Very low163 Ų163133.2 Ų133.276%0.76279%0.785SS**  -157.3138.752.7-85.9149-1.400107.2A637Q635-A637 PolarHBondContact O-N 3.05Å
636Q24.7Very low29.6Very low182 Ų182129 Ų12985%0.8578%0.776SS**  41.273.288.2-89.8176.2-12.600110.5
637A26.3Very low29.5Very low96 Ų96130.6 Ų130.679%0.79378%0.78SS**  trans-103.5101.613300000106.6Q635Q635-A637 PolarHBondContact O-N 3.05Å
638P34Very low29.6Very low100 Ų100129 Ų12965%0.64978%0.775SS**  trans-65.2166.4133.337-30.8000107.1
639P35.2Very low29.4Very low112 Ų112130.9 Ų130.973%0.72778%0.778SS**  cis-132.9168.917.423.81.1000113
640T34.2Very low29.5Very low129 Ų129129.1 Ų129.179%0.79178%0.778SS**  trans22134.9145-42.10000118.9
641V29.6Very low29.7Very low131 Ų131131.1 Ų131.179%0.79479%0.786SS**  trans127.1126.2152.3-178.40000110.8
642R26.2Very low29.8Very low236 Ų236130.7 Ų130.789%0.89178%0.781SS**  trans-45127.5-177.5-69.2168145.9172.5-8.2112L644R642-L644 PolarHBondContact O-N 3.44Å
643P33.2Very low30.2Very low126 Ų126133 Ų13382%0.81878%0.782SS**  trans-72.5120.2173.928-29.8000109.7
644L31.3Very low30.5Very low145 Ų145135.7 Ų135.776%0.75979%0.788SS**  trans-64.3124.9168.2-163.873.9000108.5R642 I646R642-L644 PolarHBondContact O-N 3.44Å; L644-I646 HydrophobicContact CD2-CD1 3.61Å; L644-I646 HydrophobicContact CD2-CG1 3.97Å; L644-I646 HydrophobicContact CG-CD1 4.27Å; L644-I646 HydrophobicContact CG-CG1 4.1Å; L644-I646 PolarHBondContact O-N 3.43Å
645F21.3Very low31.2Very low209 Ų209131.9 Ų131.992%0.91778%0.784SS**  trans-70112.6161.2-91.6-94.8000108.2
646I32.8Very low31.8Very low134 Ų134130 Ų13069%0.68779%0.786SS**  trans-139.1128.7154.4-58-177.1000107.6L644L644-I646 HydrophobicContact CD2-CD1 3.61Å; L644-I646 HydrophobicContact CD2-CG1 3.97Å; L644-I646 HydrophobicContact CG-CD1 4.27Å; L644-I646 HydrophobicContact CG-CG1 4.1Å; L644-I646 PolarHBondContact O-N 3.43Å
647P30.5Very low32Very low112 Ų112127.7 Ų127.773%0.72778%0.779SS**  trans-94.6175.9-172.138.5-35.5000113.8
648S30.3Very low32.5Very low96 Ų96129.6 Ų129.667%0.67178%0.781SS**  trans72.7120.9155.6-93.60000120.2
649D31.8Very low32.2Very low150 Ų150135.2 Ų135.280%0.80279%0.789SS**  57.8114.3125-49.8-37.7000120
650G30.6Very low32.1Very low72 Ų72138.6 Ų138.674%0.74280%0.795SS**  trans92112.613900000117.9
651S37.1Very low31.7Very low134 Ų134140.6 Ų140.694%0.93780%0.801SS**  trans80.597.4153.472.40000119.4
652G29.9Very low31.5Very low71 Ų71137.9 Ų137.973%0.73280%0.8SS**  trans-172.9121159.400000111.5
653P37.2Very low31.4Very low129 Ų129132.8 Ų132.884%0.83880%0.799SS**PPolyproline II helixtrans-83.8150.5-170.733.3-33.4000112.9
654P34.7Very low31.3Very low120 Ų120137.7 Ų137.778%0.77980%0.802SS**PPolyproline II helixtrans-88.1159.3179.934.3-32.8000114
655P38.1Very low31.6Very low123 Ų123136.2 Ų136.280%0.79980%0.802SS**PPolyproline II helixtrans-88.8172.2-171.836.9-36.8000115.2
656P39.5Very low32Very low122 Ų122133.8 Ų133.879%0.79280%0.796SS**PPolyproline II helixtrans-101.1162-151.138.1-33.9000117.3
657N27.6Very low31.9Very low134 Ų134136.1 Ų136.172%0.71780%0.804SS**  trans-19.7125.4164.7-94.7-65.2000117.9
658V37.5Very low31.8Very low137 Ų137135.3 Ų135.383%0.8381%0.807SS**  trans-133.6103.3142-174.40000108.7
659R28Very low31.7Very low218 Ų218134.2 Ų134.282%0.82381%0.811SS**  trans-83.7136.3168.1-72.8-178.2162.3-176.8-5.4109.1
660H32.3Very low31.8Very low183 Ų183132.9 Ų132.985%0.84781%0.811SS**  trans-139.8109.8155.6-96.961.7000110.2
661N27.1Very low32.1Very low170 Ų170135.9 Ų135.991%0.90982%0.817SS**  trans-89.1142.8162.4-96.2-8.9000108.2
662G25.6Very low32.1Very low75 Ų75131.9 Ų131.977%0.77380%0.797SS**  trans126.4126.215300000118
663C23.3Very low32.3Very low129 Ų129138.9 Ų138.987%0.87280%0.803SS**  trans31.1124.7148.3-64.70000122.3
664Y31.1Very low32.3Very low229 Ų229143.2 Ų143.290%0.89881%0.809SS**  trans-17.2142.8160.8-67.4-82.7000117.8
665P38.2Very low32.4Very low114 Ų114141.3 Ų141.374%0.7480%0.804SS**  -146.6163.766.838.1-18.4000118.2
666I29Very low32.3Very low157 Ų157142.7 Ų142.781%0.80580%0.804SS**  trans13.1119.8142.6-55162.3000117.2
667E30.4Very low32.2Very low183 Ų183147.2 Ų147.286%0.85581%0.812SS**  trans-164152.4141.1-104.2-65.3157.100108.5
668A29.7Very low32.4Very low95 Ų95144.9 Ų144.979%0.78581%0.811SS**  trans-83.1138-151.200000116.9
669G27.2Very low32.2Very low74 Ų74147.7 Ų147.776%0.76382%0.815SS**  trans107.1152.1143.400000118.5
670P33.3Very low32.4Very low121 Ų121142.6 Ų142.679%0.78681%0.81SS**  cis-115.3155.7-8.137.7-24.2000113.8
671P36.8Very low32.4Very low135 Ų135140.9 Ų140.988%0.87781%0.807SS**  trans-81.3127.4167.833.4-28.2000108.8
672G37Very low33.1Very low50 Ų50138.3 Ų138.352%0.51580%0.797SS.*  trans-154.513.7-174.700000117.8
673Y34.9Very low33.5Very low218 Ų218142.6 Ų142.686%0.85580%0.802SS**SBendtrans-137.97.5-177.4-83.1-78.9000117.2
674F37.9Very low34.1Very low220 Ų220145.1 Ų145.197%0.96581%0.806SS**SBendtrans-143.123.9173.8-89.8-76.7000115.9
675A35.8Very low34.2Very low81 Ų81141.9 Ų141.967%0.66980%0.804SS**SBendtrans-121.8-5177.600000115.9F677A675-F677 PolarHBondContact O-N 3.04Å
676D37.1Very low34Very low152 Ų152141.2 Ų141.281%0.81380%0.802SS**THydrogen-bonded Turntrans-82.811.4179.7-68.7-29.2000114.4
677F36.7Very low34.2Very low217 Ų217143.5 Ų143.595%0.95281%0.807SS**THydrogen-bonded Turntrans-116.731.2176.2-82-78.8000113.4A675A675-F677 PolarHBondContact O-N 3.04Å
678A32.3Very low34.8Very low85 Ų85141.4 Ų141.470%0.70281%0.806SS**  trans-150.968.1174.100000113.7
679E32.2Very low35.1Very low196 Ų196141.7 Ų141.792%0.91680%0.8SS**  trans-116.3124.8144-90.1-149.9152.900109.7
680P33Very low35.6Very low110 Ų110144.2 Ų144.271%0.71481%0.806SS**  trans-101.4156.4-17941.8-34.9000111.6
681L31.9Very low35.7Very low148 Ų148147 Ų14778%0.77581%0.808SS**  trans91.2122.8155.2-58.5171.9000119.9
682T41.3Very low35.7Very low116 Ų116150.2 Ų150.271%0.71281%0.808SS**  trans64.780.5134.260.60000117.3
683N34.4Very low35.7Very low164 Ų164156.1 Ų156.188%0.87783%0.827SS**  trans-158.547.2152.8-90.1-44.4000113.7
684L35Very low36.1Very low182 Ų182154 Ų15495%0.95383%0.825SS**  trans-130.521.8165.6-76.2168.1000113S686L684-S686 PolarHBondContact O-N 3.33Å
685D34.7Very low36.1Very low161 Ų161153.7 Ų153.786%0.86182%0.819SS**  trans-84.487.8161.7-155.6-44.2000108.1
686S34.4Very low37Very low100 Ų100158.4 Ų158.470%0.69983%0.825SS**  trans156.5100153.350.20000110.9L684L684-S686 PolarHBondContact O-N 3.33Å
687K32.9Very low37.4Very low206 Ų206156.5 Ų156.590%0.89682%0.821SS**  trans177.238.9140.6-96.2169.9-165.8-164.70112.4P689K687-P689 WeakPolarHBondContact O-CD 2.82Å
688V41.4Very low38.2Very low138 Ų138151.6 Ų151.684%0.83680%0.804SS**  trans-92.2109.9158.6-171.40000106.6S690V688-S690 PolarHBondContact O-N 2.97Å; V688-S690 VanDerWaalsContact O-N 3.14Å
689P37.3Very low39.5Very low102 Ų102152.3 Ų152.366%0.66280%0.802SS**  trans-68.6112.3177.725.5-30.1000109.6K687 Q691K687-P689 WeakPolarHBondContact O-CD 2.82Å; P689-Q691 PolarHBondContact O-N 3.39Å
690S36.8Very low40.9Very low126 Ų126150.5 Ų150.588%0.88180%0.795SS**  trans-60.891.5166.7-78.70000110.4V688V688-S690 PolarHBondContact O-N 2.97Å; V688-S690 VanDerWaalsContact O-N 3.14Å
691Q36Very low42.5Very low180 Ų180152.9 Ų152.984%0.84180%0.797SS**  trans-83.8120.4161.5-69.5-160.435.500109.1P689P689-Q691 PolarHBondContact O-N 3.39Å
692K36.6Very low44.4Very low203 Ų203152.3 Ų152.388%0.88379%0.79SS**  trans-39.1130.3-178.4-80.7168.3168.4174.80113.8Q694K692-Q694 PolarHBondContact O-N 2.94Å
693L38.2Very low45.9Very low173 Ų173154.4 Ų154.491%0.90679%0.785SS**  trans-46.2102.8162.8-65.5156.8000110.5Y695L693-Y695 PolarHBondContact O-N 3.2Å
694Q42.7Very low47.9Very low175 Ų175153.9 Ų153.982%0.81878%0.777SS**  trans-71114.1166.2-150.2152.42500106.4K692 F696K692-Q694 PolarHBondContact O-N 2.94Å; Q694-F696 WeakPolarHBondContact O-CD2 2.96Å; Q694-F696 PolarHBondContact O-N 3.35Å
695Y36.6Very low49.9Very low212 Ų212151.7 Ų151.783%0.83176%0.762SS**  trans-59.599.3-172.6-149.6-92.4000109.7L693L693-Y695 PolarHBondContact O-N 3.2Å
696F54.8Low52.1Low181 Ų181150.4 Ų150.479%0.79475%0.751SS**PPolyproline II helixtrans-68.4132.6170.7-75.8-87.1000108.4Q694 D698Q694-F696 WeakPolarHBondContact O-CD2 2.96Å; Q694-F696 PolarHBondContact O-N 3.35Å; F696-D698 PolarHBondContact O-N 3.01Å
697P45.7Very low54.4Low112 Ų112151.4 Ų151.473%0.72775%0.745SS**PPolyproline II helixtrans-62.6127.2175.324.4-30.6000109.4
698D54.1Low56.7Low114 Ų114148.9 Ų148.961%0.6174%0.736SS**PPolyproline II helixtrans-53.1125.9-175.5-101.9-42.6000111.5F696 M700 Q701F696-D698 PolarHBondContact O-N 3.01Å; D698-M700 PolarHBondContact O-N 3.35Å; D698-Q701 PolarHBondContact O-N 3.32Å
699P58.8Low58.7Low100 Ų100148.4 Ų148.465%0.64972%0.724SS**Hα-helixtrans-64.2-12.7-173.722.3-31.8000114R703P699-R703 PolarHBondContact O-N 3.45Å
700M62.7Low61.1Low157 Ų157150.4 Ų150.477%0.77373%0.725SS**Hα-helixtrans-65.8-39.9176.7-79-124.5-64.900113.2D698 H702 R703 Q704D698-M700 PolarHBondContact O-N 3.35Å; M700-H702 VanDerWaalsContact C-N 3.34Å; M700-H702 PolarHBondContact O-N 2.86Å; M700-R703 PolarHBondContact O-N 3.29Å; M700-Q704 PolarHBondContact O-N 2.93Å
701Q65.6Low63.3Low160 Ų160151.5 Ų151.575%0.74872%0.716SS**Hα-helixtrans-69.1-36179.3-75.9-151-700111.8D698 R703 Q704 Q705D698-Q701 PolarHBondContact O-N 3.32Å; Q701-R703 PolarHBondContact O-N 3.01Å; Q701-Q704 PolarHBondContact O-N 3.35Å; Q701-Q705 PolarHBondContact O-N 2.98Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å
702H71.7Confident65.7Low137 Ų137149.3 Ų149.363%0.63471%0.706SS**Hα-helixtrans-67.6-37.5178.2-136.375.5000111.8M700 Q706M700-H702 VanDerWaalsContact C-N 3.34Å; M700-H702 PolarHBondContact O-N 2.86Å; H702-Q706 WeakPolarHBondContact O-CB 3.46Å; H702-Q706 PolarHBondContact O-N 2.65Å; H702-Q706 VanDerWaalsContact O-N 3.11Å
703R73.4Confident68.1Low160 Ų160146 Ų14660%0.60469%0.693SS**Hα-helixtrans-70.5-35178.7-142.4-161.3-161.1-108.95.3112.9P699 M700 Q701 Q707P699-R703 PolarHBondContact O-N 3.45Å; M700-R703 PolarHBondContact O-N 3.29Å; Q701-R703 PolarHBondContact O-N 3.01Å; R703-Q707 PolarHBondContact O-N 2.94Å
704Q75.7Confident70.4Confident152 Ų152144.1 Ų144.171%0.7168%0.68SS**Hα-helixtrans-72.2-37.3179.4-160.5168.24800111.6M700 Q701 Q708M700-Q704 PolarHBondContact O-N 2.93Å; Q701-Q704 PolarHBondContact O-N 3.35Å; Q704-Q708 PolarHBondContact O-N 3.41Å
705Q78.1Confident72.3Confident136 Ų136143.1 Ų143.164%0.63668%0.675SS**Hα-helixtrans-69.5-35.9175.7-155.7174.154.400112.1Q701 Q708 H709Q701-Q705 PolarHBondContact O-N 2.98Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å; Q705-Q708 PolarHBondContact O-N 3.19Å; Q705-H709 PolarHBondContact O-N 2.92Å; Q705-H709 VanDerWaalsContact O-N 3.15Å
706Q81.5Confident74.6Confident135 Ų135140 Ų14063%0.63167%0.668SS**Hα-helixtrans-69.3-34.4178-157.4173.446.800112.8H702 Q710H702-Q706 WeakPolarHBondContact O-CB 3.46Å; H702-Q706 PolarHBondContact O-N 2.65Å; H702-Q706 VanDerWaalsContact O-N 3.11Å; Q706-Q710 PolarHBondContact O-N 3.27Å
707Q80.8Confident75.9Confident121 Ų121138.3 Ų138.357%0.56566%0.663SS**Hα-helixtrans-68.1-37.6173.3-88.5-173.9-2.500112.7R703 H709 Q710 Q711R703-Q707 PolarHBondContact O-N 2.94Å; Q707-H709 VanDerWaalsContact C-N 3.34Å; Q707-H709 PolarHBondContact O-N 2.95Å; Q707-Q710 PolarHBondContact O-N 3.38Å; Q707-Q711 PolarHBondContact O-N 3.33Å
708Q81.4Confident77.5Confident153 Ų153140.1 Ų140.172%0.71566%0.662SS**Hα-helixtrans-65.5-38.9177-122.7-171.632.200112Q704 Q705 Q711 Q712Q704-Q708 PolarHBondContact O-N 3.41Å; Q705-Q708 PolarHBondContact O-N 3.19Å; Q708-Q711 PolarHBondContact O-N 2.98Å; Q708-Q712 PolarHBondContact O-N 2.71Å
709H84.9Confident78.7Confident127 Ų127142 Ų14259%0.58867%0.666SS**Hα-helixtrans-68.1-36.9179.4-140.178.8000112.5Q705 Q707 Q712 Q713Q705-H709 PolarHBondContact O-N 2.92Å; Q705-H709 VanDerWaalsContact O-N 3.15Å; Q707-H709 VanDerWaalsContact C-N 3.34Å; Q707-H709 PolarHBondContact O-N 2.95Å; H709-Q712 PolarHBondContact O-N 2.88Å; H709-Q713 PolarHBondContact O-N 2.75Å
710Q86.1Confident79.7Confident144 Ų144144.6 Ų144.667%0.67367%0.67SS**Hα-helixtrans-69-34.4178.3-164.4173.885.200112.2Q706 Q707 Q714Q706-Q710 PolarHBondContact O-N 3.27Å; Q707-Q710 PolarHBondContact O-N 3.38Å; Q710-Q714 PolarHBondContact O-N 3.18Å
711Q84.8Confident80.4Confident149 Ų149144 Ų14470%0.69667%0.665SS**Hα-helixtrans-73.6-34.5178.9-152173.673.600112.3Q707 Q708 Q714 Q715Q707-Q711 PolarHBondContact O-N 3.33Å; Q708-Q711 PolarHBondContact O-N 2.98Å; Q711-Q714 PolarHBondContact O-N 3.42Å; Q711-Q715 PolarHBondContact O-N 2.72Å
712Q86.5Confident80.9Confident134 Ų134143.7 Ų143.763%0.62666%0.664SS**Hα-helixtrans-69.2-36.1176.5-163.2173.472.300112.3Q708 H709 Q715 Q716Q708-Q712 PolarHBondContact O-N 2.71Å; H709-Q712 PolarHBondContact O-N 2.88Å; Q712-Q715 PolarHBondContact O-N 2.9Å; Q712-Q716 PolarHBondContact O-N 2.69Å
713Q87.1Confident81Confident133 Ų133143.7 Ų143.762%0.62167%0.666SS**Hα-helixtrans-69.6-33.7178.7-153.7177.979.600112.4H709 Q715 Q716 Q717H709-Q713 PolarHBondContact O-N 2.75Å; Q713-Q715 VanDerWaalsContact C-N 3.35Å; Q713-Q716 PolarHBondContact O-N 2.91Å; Q713-Q717 PolarHBondContact O-N 2.93Å
714Q84.5Confident80.7Confident135 Ų135143.5 Ų143.563%0.63167%0.672SS**Hα-helixtrans-70.2-32.5177.2-136.9176.573.300112.4Q710 Q711Q710-Q714 PolarHBondContact O-N 3.18Å; Q711-Q714 PolarHBondContact O-N 3.42Å
715Q84.1Confident80.3Confident153 Ų153143.8 Ų143.872%0.71567%0.673SS**Hα-helixtrans-71.4-30.9177.4-142175.778.400112.2Q711 Q712 Q713 Q719Q711-Q715 PolarHBondContact O-N 2.72Å; Q712-Q715 PolarHBondContact O-N 2.9Å; Q713-Q715 VanDerWaalsContact C-N 3.35Å; Q715-Q719 PolarHBondContact O-N 2.94Å
716Q84.2Confident79.4Confident148 Ų148145.1 Ų145.169%0.69268%0.68SS**Hα-helixtrans-71.5-33.7177.5-132.8-179.975.700112.8Q712 Q713 Q720Q712-Q716 PolarHBondContact O-N 2.69Å; Q713-Q716 PolarHBondContact O-N 2.91Å; Q716-Q720 PolarHBondContact O-N 3.01Å
717Q81.7Confident78.3Confident145 Ų145146.6 Ų146.668%0.67869%0.686SS**Hα-helixtrans-68.2-37.2176.1-100.1-174.637.700113.2Q713 Q719 Q720 Q721Q713-Q717 PolarHBondContact O-N 2.93Å; Q717-Q719 VanDerWaalsContact C-N 3.35Å; Q717-Q719 PolarHBondContact O-N 3.45Å; Q717-Q720 PolarHBondContact O-N 2.63Å; Q717-Q721 PolarHBondContact O-N 2.86Å
718Q80.4Confident77.1Confident150 Ų150149.4 Ų149.470%0.70170%0.7SS**Hα-helixtrans-66.9-35.9178.1-90.4-171.735.400112.7Q720 Q721 Q722Q718-Q720 VanDerWaalsContact C-N 3.3Å; Q718-Q720 PolarHBondContact O-N 3.1Å; Q718-Q721 PolarHBondContact O-N 3.29Å; Q718-Q722 PolarHBondContact O-N 3.11Å
719Q79.3Confident75.6Confident152 Ų152150.7 Ų150.771%0.7171%0.706SS**Hα-helixtrans-68.8-31.3-179.9-151.6177.381.300111.9Q715 Q717 M723Q715-Q719 PolarHBondContact O-N 2.94Å; Q717-Q719 VanDerWaalsContact C-N 3.35Å; Q717-Q719 PolarHBondContact O-N 3.45Å; Q719-M723 PolarHBondContact O-N 3.36Å
720Q78.6Confident73.4Confident156 Ų156153.5 Ų153.573%0.72972%0.719SS**Hα-helixtrans-73.4-35.2178.5-148176.777.300112.6Q716 Q717 Q718 Q724Q716-Q720 PolarHBondContact O-N 3.01Å; Q717-Q720 PolarHBondContact O-N 2.63Å; Q718-Q720 VanDerWaalsContact C-N 3.3Å; Q718-Q720 PolarHBondContact O-N 3.1Å; Q720-Q724 PolarHBondContact O-N 3.14Å
721Q78.4Confident71Confident143 Ų143150 Ų15067%0.66872%0.721SS**Hα-helixtrans-66.8-35.9174.7-100.3-175.624.600112.9Q717 Q718 Q724 Q725Q717-Q721 PolarHBondContact O-N 2.86Å; Q718-Q721 PolarHBondContact O-N 3.29Å; Q721-Q724 PolarHBondContact O-N 3.27Å; Q721-Q725 PolarHBondContact O-N 2.97Å
722Q76.4Confident69.2Low155 Ų155149 Ų14972%0.72473%0.728SS**Hα-helixtrans-71-34.6-178-136.2176.350.700112.4Q718Q718-Q722 PolarHBondContact O-N 3.11Å
723M72.5Confident66.7Low137 Ų137147.2 Ų147.268%0.67573%0.73SS**Hα-helixtrans-65.2-35.8173.2-92.9-100-74.700112.8Q719 Q726 Q727Q719-M723 PolarHBondContact O-N 3.36Å; M723-Q726 PolarHBondContact O-N 3.18Å; M723-Q727 PolarHBondContact O-N 3.16Å
724Q68.9Low64.2Low155 Ų155149.5 Ų149.572%0.72474%0.738SS**Hα-helixtrans-72.4-30.7-177-156.3172.367.500112.7Q720 Q721Q720-Q724 PolarHBondContact O-N 3.14Å; Q721-Q724 PolarHBondContact O-N 3.27Å
725Q66.5Low61.6Low158 Ų158151.3 Ų151.374%0.73875%0.747SS**Hα-helixtrans-71.9-30.4173.8-88.5-172.652.500113.4Q721 Q727Q721-Q725 PolarHBondContact O-N 2.97Å; Q725-Q727 VanDerWaalsContact C-N 3.32Å; Q725-Q727 PolarHBondContact O-N 2.88Å
726Q59Low59.2Low165 Ų165148.4 Ų148.477%0.77175%0.749SS**Hα-helixtrans-73.5-23.8178.5-109.6-179.633.800113.4M723M723-Q726 PolarHBondContact O-N 3.18Å
727Q57.4Low56.9Low165 Ų165147.2 Ų147.277%0.77175%0.754SS**Hα-helixtrans-80.9-16.7-178.3-132.8176.965.400113.9M723 Q725M723-Q727 PolarHBondContact O-N 3.16Å; Q725-Q727 VanDerWaalsContact C-N 3.32Å; Q725-Q727 PolarHBondContact O-N 2.88Å
728Q56.4Low54.6Low181 Ų181148.3 Ų148.385%0.84676%0.764SS**THydrogen-bonded Turntrans-85.4-6-179.7-107.2-1762400115.1
729Q49.5Very low52.7Low180 Ų180147.2 Ų147.284%0.84177%0.769SS**THydrogen-bonded Turntrans-97.87.3179.1-87.5-171.823.700115.4
730Q38.2Very low50.6Low186 Ų186147 Ų14787%0.86977%0.773SS**  trans-125.888.3173.3-67.4-172.214.400111.2
731G36Very low48.8Very low69 Ų69143.6 Ų143.671%0.71177%0.765SS**  trans-153.6124.3172.800000111.9
732P48.6Very low47Very low129 Ų129143.6 Ų143.684%0.83878%0.775SS**  trans-97122.3-16235.6-32.6000115.5
733S33.8Very low44.7Very low97 Ų97142.4 Ų142.468%0.67877%0.773SS**  30.6114.6114.4-80.40000123.1
734F33.1Very low42.8Very low180 Ų180143.7 Ų143.779%0.78978%0.779SS**  trans70141.3148.1-64.6-90.8000117.4
735Q30.8Very low41Very low173 Ų173145 Ų14581%0.80879%0.786SS**  cis-172.513620.7-144.2151.98.700108.5
736A32.6Very low39.2Very low93 Ų93146.7 Ų146.777%0.76979%0.791SS**  trans-161.2146.4149.700000110.5
737P36.6Very low37.8Very low123 Ų123143.7 Ų143.780%0.79979%0.794SS**PPolyproline II helixtrans-99.7151.4-154.1418.4000114.6
738L34.2Very low36.7Very low168 Ų168144.4 Ų144.488%0.8880%0.801SS**PPolyproline II helixtrans-65.8136.8175.2-84.767.4000113
739P39.4Very low35.3Very low126 Ų126138.9 Ų138.982%0.81879%0.793SS**PPolyproline II helixtrans-92.212515531.7-24.9000111.6
740D34.8Very low34.6Very low148 Ų148138.6 Ų138.679%0.79180%0.797SS**PPolyproline II helixtrans-82.3167.9155.6-148.221.4000107.1
741P42.5Very low34.4Very low85 Ų85134.4 Ų134.455%0.55279%0.788SS**  cis-148-170.117.538.4-13.5000115.8D743P741-D743 PolarHBondContact O-N 3.47Å
742T39Very low34.1Very low142 Ų142134.7 Ų134.787%0.87179%0.791SS**  trans-39.628.5167.419.80000120.5
743D28.3Very low32.9Very low130 Ų130136.6 Ų136.670%0.69579%0.788SS**  trans-114.4123.5172.9-78.8-46000112.9P741P741-D743 PolarHBondContact O-N 3.47Å
744M32.8Very low32.7Very low164 Ų164137.4 Ų137.481%0.80879%0.791SS**  trans92.579.2165.5-57.2-177.8-77.900118.5
745Q31.9Very low32.5Very low184 Ų184134.7 Ų134.786%0.8679%0.789SS**SBend-52.9136.7122.9-81.4174.56.600108.5
746F27.6Very low32.5Very low193 Ų193132.6 Ų132.685%0.84679%0.791SS**  trans90.179.3-170.3-64.1-81.4000116.8
747A30.4Very low32Very low101 Ų101138.4 Ų138.484%0.83579%0.794SS**  -157.466.6129.400000109.8G749A747-G749 PolarHBondContact O-N 3.07Å
748I33.7Very low31.6Very low180 Ų180140.2 Ų140.292%0.92379%0.794SS**  trans-73.3110.9155.9-68.2168.5000106.1
749G27.9Very low31Very low65 Ų65136.9 Ų136.967%0.6779%0.785SS**  trans82.2111.5158.600000117.1A747A747-G749 PolarHBondContact O-N 3.07Å
750L34.2Very low30.7Very low175 Ų175137.3 Ų137.392%0.91678%0.784SS**  trans-136.5119.6132.4-87.6173.7000109.5
751S33.6Very low30.3Very low98 Ų98138.3 Ų138.369%0.68579%0.785SS**  trans-46.3128173.5470000114.7Q753S751-Q753 PolarHBondContact O-N 3.08Å; S751-Q753 VanDerWaalsContact O-N 3.16Å
752G29.7Very low29.7Very low75 Ų75141.6 Ų141.677%0.77380%0.798SS**  trans-77.284156.400000111.2
753Q24.3Very low29.1Very low169 Ų169146.1 Ų146.179%0.7980%0.8SS**  trans-151.699.6143.7-82.5-57.5-34.200106.1S751S751-Q753 PolarHBondContact O-N 3.08Å; S751-Q753 VanDerWaalsContact O-N 3.16Å
754P28.8Very low29Very low113 Ų113143.5 Ų143.573%0.73480%0.804SS**  -140.8131117.127.6-9.4000114
755V28.9Very low28.7Very low123 Ų123139.3 Ų139.375%0.74580%0.803SS**  trans15.9113.4150.6-144.10000118.3
756P31.8Very low28.9Very low130 Ų130136.4 Ų136.484%0.84480%0.8SS**  trans-100104.716031.9-22.3000110.5
757Y21Very low28.8Very low214 Ų214133.1 Ų133.184%0.83980%0.801SS**  trans-104.593.3158.9-137.6-84.9000106.7
758M28.7Very low28.6Very low162 Ų162131.9 Ų131.980%0.79880%0.798SS**  trans-161.3106.9154.6-92.5-56.2100.400108.2
759S21.9Very low28.8Very low98 Ų98129.3 Ų129.369%0.68579%0.793SS**  trans-50.4130.615748.30000111.9
760V32.6Very low29Very low134 Ų134130.9 Ų130.981%0.81280%0.799SS**  -166.1145120.1-122.10000110.5
761Q27.2Very low29Very low170 Ų170127.6 Ų127.679%0.79479%0.789SS**  trans-29.1139.3177.1-85.992.9-18.800117.7
762N28.4Very low28.7Very low154 Ų154129.4 Ų129.482%0.82480%0.796SS**  -170.8129.382-159.34.9000111.4
763Y26.6Very low28.9Very low236 Ų236129.3 Ų129.393%0.92580%0.795SS**  trans-77.9132.5173.7-114.5-105.2000108.9
764G27.9Very low29.3Very low76 Ų76127.3 Ų127.378%0.78480%0.796SS**  trans175.462.9174.200000117.9
765G26.4Very low29.7Very low75 Ų75127.5 Ų127.577%0.77380%0.798SS**  trans77.8160.7135.300000119.9
766P34.5Very low30.3Very low124 Ų124127.2 Ų127.281%0.80580%0.799SS**  trans-118.6157-14138.3-25.7000114.3
767S26.6Very low30.1Very low123 Ų123130.4 Ų130.486%0.8680%0.802SS**  trans155.8136.7137.149.50000109.9
768G25.9Very low30.3Very low75 Ų75124.2 Ų124.277%0.77380%0.795SS**  trans-72.8-147.3-168.600000115.2
769P37Very low30.4Very low126 Ų126124.9 Ų124.982%0.81880%0.799SS**  cis-126.3173.4-11.435-16.5000113
770A33.3Very low30.7Very low98 Ų98126.4 Ų126.481%0.8180%0.804SS**  trans-54.7150.3174.900000113.4
771P33.4Very low30.4Very low107 Ų107127.2 Ų127.270%0.69580%0.803SS**  trans-139.2134138.738.6-24.1000114.4
772T28.7Very low30.5Very low136 Ų136128 Ų12883%0.83481%0.809SS**  53.6120.5128.961.10000120.9
773G34Very low30.4Very low73 Ų73123.6 Ų123.675%0.75380%0.8SS**  trans-87.1-167.4172.600000115.8
774P31.5Very low31.3Very low126 Ų126119 Ų11982%0.81880%0.799SS**  trans-140-170.1158.441.3-24.1000112.4
775P37Very low31.5Very low117 Ų117126.3 Ų126.376%0.7680%0.803SS**  -133.9-179.5-65.540.6-24.5000113.3
776P41.4Very low31.7Very low118 Ų118131 Ų13177%0.76681%0.806SS**  trans-111.4139.6168.735.7-24000113.3
777Q27.9Very low31.5Very low197 Ų197133.5 Ų133.592%0.92181%0.813SS**  trans-158.1137.5153.2-80.8-150.4-19.300114.8
778A26.4Very low31.6Very low84 Ų84130.5 Ų130.569%0.69480%0.802SS**  trans75.9112.2143.600000121.5
779M29.9Very low31.8Very low176 Ų176134 Ų13487%0.86781%0.808SS**  159.7128.6102.6-85.8-154.8166.600115.1
780V29.1Very low31.7Very low130 Ų130133.6 Ų133.679%0.78880%0.803SS**  trans52.8107.8150.7-1060000123.5
781N25.5Very low31.6Very low150 Ų150137.5 Ų137.580%0.80281%0.806SS**  18.299.3122.7-163.323.3000119
782M29.5Very low31.7Very low188 Ų188138.6 Ų138.693%0.92681%0.812SS**  trans-141115.5141.9-82.2-142.5-136.100108.8
783G25Very low31.7Very low60 Ų60137 Ų13762%0.61981%0.812SS**  trans-65.2146.5177.400000112.3R785G783-R785 PolarHBondContact O-N 3.33Å
784P47Very low31.7Very low140 Ų140138.5 Ų138.591%0.90982%0.817SS**  trans-76.894.8169.429-29000109.2
785R31.3Very low31.3Very low229 Ų229136.5 Ų136.586%0.86482%0.819SS**  trans-82.2141.3154-90.5-155.1174.3-141.70.8109.1G783G783-R785 PolarHBondContact O-N 3.33Å
786M30.9Very low31Very low173 Ų173134.6 Ų134.685%0.85282%0.821SS**  trans90.5101.1163.6-69.9-178-87.600118.2G788M786-G788 PolarHBondContact O-N 3.19Å
787N29.7Very low30.3Very low177 Ų177132.9 Ų132.995%0.94783%0.825SS**  -5.6110.1126.3-90.9-13000113.9
788G28.2Very low30.1Very low60 Ų60127.8 Ų127.862%0.61983%0.826SS**  trans-147.190.5166.500000108.7M786 V790M786-G788 PolarHBondContact O-N 3.19Å; G788-V790 VanDerWaalsContact C-N 3.34Å; G788-V790 PolarHBondContact O-N 2.9Å
789V32.1Very low30.2Very low148 Ų148127.4 Ų127.490%0.89783%0.83SS**  trans-61.2102157171.60000106.1
790V33Very low30.1Very low119 Ų119130.5 Ų130.572%0.72183%0.832SS**  trans-112.9101166178.80000106.9G788 T792G788-V790 VanDerWaalsContact C-N 3.34Å; G788-V790 PolarHBondContact O-N 2.9Å; V790-T792 PolarHBondContact O-N 2.95Å
791M31.3Very low30.4Very low179 Ų179132.5 Ų132.588%0.88283%0.834SS**  trans-54.9128.3160.5-71.8-150.6-158.700109.2
792T35.9Very low31.1Very low131 Ų131130.5 Ų130.580%0.80483%0.83SS**  trans-130.8121.3157.1-28.60000108.4V790V790-T792 PolarHBondContact O-N 2.95Å
793A28.5Very low30.9Very low101 Ų101125 Ų12584%0.83582%0.821SS**  trans-72.1138-175.400000112.6
794A34.3Very low31.5Very low105 Ų105127.8 Ų127.887%0.86883%0.828SS**  trans-133.1112.8143.700000104.4
795G24.4Very low30.6Very low84 Ų84132 Ų13287%0.86683%0.827SS**  cis9775.241.400000107.9
796G29.2Very low30.7Very low78 Ų78127.9 Ų127.980%0.80483%0.828SS**  trans178.985.3178.500000115.3
797G26.8Very low30.5Very low81 Ų81128 Ų12884%0.83583%0.826SS**  trans47.4112.5139.900000120.3
798G24.4Very low30.5Very low91 Ų91125.7 Ų125.794%0.93882%0.82SS**  trans-61.1134.7170.800000114.3
799G28.1Very low30.6Very low76 Ų76126 Ų12678%0.78482%0.823SS**  trans-131.5113.1164.500000108.7
800R28.7Very low30.7Very low241 Ų241125.5 Ų125.591%0.90982%0.821SS**  trans-72.1123.7174.9-76.9177.9163.3-160.6-3.5110.1
801M33.9Very low30.8Very low171 Ų171127.3 Ų127.384%0.84283%0.825SS**  trans67163149.7-57.5-71.4-82.200117.5
802P41Very low31.2Very low109 Ų109124 Ų12471%0.70882%0.817SS**  cis-123.9156.1-6.730.9-12.3000113.5P804P802-P804 WeakPolarHBondContact O-CD 3.31Å
803G25.4Very low31.3Very low71 Ų71124.4 Ų124.473%0.73281%0.814SS**  trans-70.9130.7170.500000112.1
804P37Very low32Very low119 Ų119125.2 Ų125.277%0.77381%0.805SS**  trans-90.8112.3161.931.7-23.9000109.1P802P802-P804 WeakPolarHBondContact O-CD 3.31Å
805Y29.6Very low32.4Very low229 Ų229121.8 Ų121.890%0.89878%0.779SS**  trans26.6105141.9-79.9-96.4000117.7Q807Y805-Q807 PolarHBondContact O-N 2.96Å
806V32.6Very low33.4Very low143 Ų143120.9 Ų120.987%0.86776%0.764SS**  trans-54.9103.9157.1-179.50000108.5
807Q25.9Very low34.3Very low176 Ų176124 Ų12482%0.82276%0.759SS**  trans-71137.5165-151.4177.844.200107.5Y805 G809Y805-Q807 PolarHBondContact O-N 2.96Å; Q807-G809 PolarHBondContact O-N 3.05Å
808P31Very low35.5Very low127 Ų127129 Ų12983%0.82575%0.753SS**  trans-6396.7-178.4-17.930000110.2V810P808-V810 PolarHBondContact O-N 2.8Å
809G29.2Very low36.4Very low66 Ų66131.4 Ų131.468%0.6874%0.74SS**  trans-64122.5173.500000109.3Q807 L811Q807-G809 PolarHBondContact O-N 3.05Å; G809-L811 PolarHBondContact O-N 2.96Å
810V34.1Very low37.8Very low139 Ų139131.2 Ų131.284%0.84273%0.727SS**  trans-16.7115.1158.2-174.60000111.4P808P808-V810 PolarHBondContact O-N 2.8Å
811L35.8Very low39.2Very low156 Ų156122.6 Ų122.682%0.81771%0.707SS**  trans-50.1127.8173-85.488.5000108.6G809 N813G809-L811 PolarHBondContact O-N 2.96Å; L811-N813 PolarHBondContact O-N 2.95Å; L811-N813 VanDerWaalsContact O-N 3.12Å
812P38.4Very low40Very low110 Ų110122.1 Ų122.171%0.71470%0.697SS**  trans-59.8122.3179.922.5-30.9000109N814P812-N814 PolarHBondContact O-N 3.1Å
813N38.1Very low41Very low139 Ų139123.4 Ų123.474%0.74369%0.693SS**  trans-57103.9175-1761.4000109L811 G815 A816L811-N813 PolarHBondContact O-N 2.95Å; L811-N813 VanDerWaalsContact O-N 3.12Å; N813-G815 PolarHBondContact O-N 3.27Å; N813-G815 PolarHBondContact OD1-N 2.92Å; N813-A816 PolarHBondContact O-N 3.41Å
814N43.7Very low43.1Very low119 Ų119122.8 Ų122.864%0.63668%0.681SS**THydrogen-bonded Turntrans-59.2-2.3177.1-88-27.7000113.9P812 R818P812-N814 PolarHBondContact O-N 3.1Å; N814-R818 PolarHBondContact O-N 3.27Å
815G42.9Very low44.2Very low32 Ų32122.6 Ų122.633%0.3367%0.67SS.*Hα-helixtrans-58.9-41.8173.700000113.7N813 M817 R818 E819N813-G815 PolarHBondContact O-N 3.27Å; N813-G815 PolarHBondContact OD1-N 2.92Å; G815-M817 PolarHBondContact O-N 2.91Å; G815-R818 PolarHBondContact O-N 3.12Å; G815-E819 PolarHBondContact O-N 3.46Å
816A45.3Very low45.9Very low66 Ų66117.4 Ų117.455%0.54565%0.652SS.*Hα-helixtrans-68.5-35.8-174.600000113.3N813 S820N813-A816 PolarHBondContact O-N 3.41Å; A816-S820 WeakPolarHBondContact O-CB 2.88Å; A816-S820 PolarHBondContact O-N 3.12Å; A816-S820 PolarHBondContact O-OG 3.09Å
817M47.7Very low47.3Very low142 Ų142116.2 Ų116.270%0.764%0.637SS**Hα-helixtrans-70.7-34.9174.9-69.6-127.3-70.900111.8G815 A821G815-M817 PolarHBondContact O-N 2.91Å; M817-A821 PolarHBondContact O-N 2.99Å; M817-A821 VanDerWaalsContact O-N 3.13Å
818R52.1Low48.8Very low187 Ų187112.4 Ų112.471%0.70662%0.622SS**Hα-helixtrans-65.6-46.2176.5-118.5-177.3-172-170.22.6111.6N814 G815 S820 A821 Y822N814-R818 PolarHBondContact O-N 3.27Å; G815-R818 PolarHBondContact O-N 3.12Å; R818-S820 VanDerWaalsContact C-N 3.33Å; R818-S820 PolarHBondContact O-N 3.1Å; R818-A821 PolarHBondContact O-N 3.03Å; R818-Y822 VanDerWaalsContact O-CD2 3.32Å; R818-Y822 WeakPolarHBondContact O-CD2 2.93Å; R818-Y822 PolarHBondContact O-N 3.4Å; R818-Y822 VanDerWaalsContact O-N 3.15Å
819E43Very low50.2Low142 Ų142111.9 Ų111.966%0.66461%0.607SS**Hα-helixtrans-65.5-38.6-179.5-166155.3-164.900111.7G815 A821 Y822 Q823G815-E819 PolarHBondContact O-N 3.46Å; E819-A821 PolarHBondContact O-N 3.09Å; E819-Y822 PolarHBondContact O-N 3.27Å; E819-Q823 WeakPolarHBondContact O-CB 3.17Å; E819-Q823 PolarHBondContact O-N 3.39Å
820S58.8Low51.5Low72 Ų72112.5 Ų112.550%0.50359%0.593SS.*Hα-helixtrans-62.2-40.1174.6-57.20000112.6A816 R818 Q823 A824A816-S820 WeakPolarHBondContact O-CB 2.88Å; A816-S820 PolarHBondContact O-N 3.12Å; A816-S820 PolarHBondContact O-OG 3.09Å; R818-S820 VanDerWaalsContact C-N 3.33Å; R818-S820 PolarHBondContact O-N 3.1Å; S820-Q823 PolarHBondContact O-N 3.47Å; S820-A824 WeakPolarHBondContact O-CB 2.7Å; S820-A824 PolarHBondContact O-N 3.14Å
821A57.2Low52.5Low60 Ų60111 Ų11150%0.49658%0.576SS.*Hα-helixtrans-65.3-43.5177.200000112.1M817 R818 E819 A824 Q825M817-A821 PolarHBondContact O-N 2.99Å; M817-A821 VanDerWaalsContact O-N 3.13Å; R818-A821 PolarHBondContact O-N 3.03Å; E819-A821 PolarHBondContact O-N 3.09Å; A821-A824 PolarHBondContact O-N 3.33Å; A821-Q825 WeakPolarHBondContact O-CB 3.46Å; A821-Q825 PolarHBondContact O-N 3.01Å
822Y50.7Low53.2Low160 Ų160109.2 Ų109.263%0.62756%0.564SS**Hα-helixtrans-64.3-40.6175.2-85.7-72.5000112.1R818 E819 Q825 F826R818-Y822 VanDerWaalsContact O-CD2 3.32Å; R818-Y822 WeakPolarHBondContact O-CD2 2.93Å; R818-Y822 PolarHBondContact O-N 3.4Å; R818-Y822 VanDerWaalsContact O-N 3.15Å; E819-Y822 PolarHBondContact O-N 3.27Å; Y822-Q825 PolarHBondContact O-N 2.9Å; Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.11Å
823Q62.5Low53.9Low137 Ų137107.9 Ų107.964%0.6455%0.55SS**Hα-helixtrans-67.1-40.5-179.6-158.8165.644.600111.7E819 S820 F826 Q827E819-Q823 WeakPolarHBondContact O-CB 3.17Å; E819-Q823 PolarHBondContact O-N 3.39Å; S820-Q823 PolarHBondContact O-N 3.47Å; Q823-F826 PolarHBondContact O-N 3.13Å; Q823-Q827 PolarHBondContact O-N 3.03Å
824A68.9Low54.4Low57 Ų57109 Ų10947%0.47155%0.545SS..Hα-helixtrans-64-41.917400000112.3S820 A821 Q827 N828S820-A824 WeakPolarHBondContact O-CB 2.7Å; S820-A824 PolarHBondContact O-N 3.14Å; A821-A824 PolarHBondContact O-N 3.33Å; A824-Q827 PolarHBondContact O-N 3.13Å; A824-N828 PolarHBondContact O-N 3.06Å
825Q59.8Low54.5Low116 Ų116107 Ų10754%0.54255%0.545SS..Hα-helixtrans-67-38.7179.2-153.8179.99.800111.9A821 Y822 N828 F829A821-Q825 WeakPolarHBondContact O-CB 3.46Å; A821-Q825 PolarHBondContact O-N 3.01Å; Y822-Q825 PolarHBondContact O-N 2.9Å; Q825-N828 PolarHBondContact O-N 3.37Å; Q825-F829 PolarHBondContact O-N 3.41Å
826F66.9Low54.7Low119 Ų119110.5 Ų110.552%0.52256%0.56SS.*Hα-helixtrans-66.9-40.6174.9-171.6-103.5000112.3Y822 Q823 N828 F829 Q830Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.11Å; Q823-F826 PolarHBondContact O-N 3.13Å; F826-N828 VanDerWaalsContact C-N 3.31Å; F826-N828 PolarHBondContact O-N 3.3Å; F826-F829 PolarHBondContact O-N 2.86Å; F826-Q830 HydrophobicContact CD1-CG 4.4Å; F826-Q830 HydrophobicContact CE1-CG 4.08Å; F826-Q830 VanDerWaalsContact CE1-NE2 3.27Å; F826-Q830 HydrophobicContact CZ-CG 4.37Å; F826-Q830 PolarHBondContact O-N 3.48Å
827Q61Low54.3Low119 Ų119113.5 Ų113.556%0.55657%0.567SS**Hα-helixtrans-62.6-39.4174.4-125.4-175.845.500111.9Q823 A824 Q830 Q831Q823-Q827 PolarHBondContact O-N 3.03Å; A824-Q827 PolarHBondContact O-N 3.13Å; Q827-Q830 PolarHBondContact O-N 2.77Å; Q827-Q831 PolarHBondContact O-N 2.77Å
828N57.7Low54Low95 Ų95112.1 Ų112.151%0.50857%0.566SS.*Hα-helixtrans-64.8-41.2176.6-134.2-80000111.7A824 Q825 F826 Q831 Q832A824-N828 PolarHBondContact O-N 3.06Å; Q825-N828 PolarHBondContact O-N 3.37Å; F826-N828 VanDerWaalsContact C-N 3.31Å; F826-N828 PolarHBondContact O-N 3.3Å; N828-Q831 PolarHBondContact O-N 3.34Å; N828-Q832 PolarHBondContact O-N 3.41Å
829F60.6Low53.3Low116 Ų116112.1 Ų112.151%0.50957%0.566SS.*Hα-helixtrans-63.3-42.8174.9-177.7-105.6000112.1Q825 F826 Q831 Q832 L833Q825-F829 PolarHBondContact O-N 3.41Å; F826-F829 PolarHBondContact O-N 2.86Å; F829-Q831 PolarHBondContact O-N 2.67Å; F829-Q832 PolarHBondContact O-N 2.9Å; F829-L833 HydrophobicContact CD1-CD1 4.01Å; F829-L833 HydrophobicContact CE1-CD1 3.51Å; F829-L833 HydrophobicContact CE1-CG 4.3Å; F829-L833 HydrophobicContact CZ-CD1 3.93Å; F829-L833 HydrophobicContact CZ-CG 4.35Å; F829-L833 PolarHBondContact O-N 3.49Å; F829-L833 VanDerWaalsContact O-N 3.11Å
830Q57.2Low52.9Low80 Ų80115 Ų11537%0.37457%0.571SS.*Hα-helixtrans-62.2-42.4174.3-73.5-162.2-17.900111.9F826 Q827 Q832 L833 Y834F826-Q830 HydrophobicContact CD1-CG 4.4Å; F826-Q830 HydrophobicContact CE1-CG 4.08Å; F826-Q830 VanDerWaalsContact CE1-NE2 3.27Å; F826-Q830 HydrophobicContact CZ-CG 4.37Å; F826-Q830 PolarHBondContact O-N 3.48Å; Q827-Q830 PolarHBondContact O-N 2.77Å; Q830-Q832 VanDerWaalsContact C-N 3.35Å; Q830-Q832 PolarHBondContact O-N 3.04Å; Q830-L833 PolarHBondContact O-N 2.82Å; Q830-Y834 WeakPolarHBondContact O-CD2 3.15Å; Q830-Y834 PolarHBondContact O-N 3.47Å
831Q53.6Low51.9Low106 Ų106115.6 Ų115.650%0.49557%0.573SS.*Hα-helixtrans-64-36.8176.4-77.9-175.93900112.9Q827 N828 F829 L833 Y834 A835Q827-Q831 PolarHBondContact O-N 2.77Å; N828-Q831 PolarHBondContact O-N 3.34Å; F829-Q831 PolarHBondContact O-N 2.67Å; Q831-L833 VanDerWaalsContact C-N 3.32Å; Q831-L833 PolarHBondContact O-N 3.29Å; Q831-Y834 PolarHBondContact O-N 3.23Å; Q831-A835 WeakPolarHBondContact O-CB 3.03Å; Q831-A835 PolarHBondContact O-N 3.15Å
832Q50.8Low50.9Low119 Ų119120.4 Ų120.456%0.55659%0.585SS**Hα-helixtrans-62.7-39.8173.3-74.4-179.116.400111.9N828 F829 Q830 A835 T836N828-Q832 PolarHBondContact O-N 3.41Å; F829-Q832 PolarHBondContact O-N 2.9Å; Q830-Q832 VanDerWaalsContact C-N 3.35Å; Q830-Q832 PolarHBondContact O-N 3.04Å; Q832-A835 PolarHBondContact O-N 2.75Å; Q832-T836 PolarHBondContact O-N 3.09Å; Q832-T836 PolarHBondContact O-OG1 3.02Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å
833L54.5Low50.1Low82 Ų82117.2 Ų117.243%0.42959%0.586SS.*Hα-helixtrans-65.6-40.1174.5-70.8173000112.1F829 Q830 Q831 T836 N837F829-L833 HydrophobicContact CD1-CD1 4.01Å; F829-L833 HydrophobicContact CE1-CD1 3.51Å; F829-L833 HydrophobicContact CE1-CG 4.3Å; F829-L833 HydrophobicContact CZ-CD1 3.93Å; F829-L833 HydrophobicContact CZ-CG 4.35Å; F829-L833 PolarHBondContact O-N 3.49Å; F829-L833 VanDerWaalsContact O-N 3.11Å; Q830-L833 PolarHBondContact O-N 2.82Å; Q831-L833 VanDerWaalsContact C-N 3.32Å; Q831-L833 PolarHBondContact O-N 3.29Å; L833-T836 PolarHBondContact O-N 2.94Å; L833-T836 PolarHBondContact O-OG1 3.14Å; L833-N837 PolarHBondContact O-N 3.14Å; L833-N837 VanDerWaalsContact O-N 3.14Å; L833-N837 PolarHBondContact O-ND2 3.07Å; L833-N837 VanDerWaalsContact O-ND2 3.12Å
834Y47.1Very low48.9Very low164 Ų164118.5 Ų118.564%0.64360%0.597SS**Hα-helixtrans-66.8-40.4174.2-77.2-67.9000112.3Q830 Q831 T836 N837 V838Q830-Y834 WeakPolarHBondContact O-CD2 3.15Å; Q830-Y834 PolarHBondContact O-N 3.47Å; Q831-Y834 PolarHBondContact O-N 3.23Å; Y834-T836 PolarHBondContact O-N 2.88Å; Y834-N837 PolarHBondContact O-N 2.77Å; Y834-V838 WeakPolarHBondContact O-CG2 2.97Å; Y834-V838 PolarHBondContact O-N 3.23Å
835A45.5Very low47.3Very low76 Ų76122 Ų12263%0.62862%0.618SS**Hα-helixtrans-64.9-36.3176.700000112.5Q831 Q832Q831-A835 WeakPolarHBondContact O-CB 3.03Å; Q831-A835 PolarHBondContact O-N 3.15Å; Q832-A835 PolarHBondContact O-N 2.75Å
836T46.9Very low46.3Very low106 Ų106124.5 Ų124.565%0.6566%0.659SS**Hα-helixtrans-73.8-25174.6530000114Q832 L833 Y834Q832-T836 PolarHBondContact O-N 3.09Å; Q832-T836 PolarHBondContact O-OG1 3.02Å; Q832-T836 VanDerWaalsContact O-OG1 3.1Å; L833-T836 PolarHBondContact O-N 2.94Å; L833-T836 PolarHBondContact O-OG1 3.14Å; Y834-T836 PolarHBondContact O-N 2.88Å
837N38.6Very low45.3Very low128 Ų128124.8 Ų124.868%0.68467%0.666SS**Hα-helixtrans-83.9-12.5178.3-83.9-50.4000114.2L833 Y834L833-N837 PolarHBondContact O-N 3.14Å; L833-N837 VanDerWaalsContact O-N 3.14Å; L833-N837 PolarHBondContact O-ND2 3.07Å; L833-N837 VanDerWaalsContact O-ND2 3.12Å; Y834-N837 PolarHBondContact O-N 2.77Å
838V40.7Very low44.4Very low113 Ų113125.1 Ų125.169%0.68567%0.672SS**SBendtrans-105.867.7178.4-170.80000110.8Y834Y834-V838 WeakPolarHBondContact O-CG2 2.97Å; Y834-V838 PolarHBondContact O-N 3.23Å
839R37.1Very low43.7Very low188 Ų188126.8 Ų126.871%0.70968%0.681SS**  trans-16874.8151.5-106.6172.2-164179.410.7109.9P841R839-P841 WeakPolarHBondContact O-CD 3.39Å
840R34.4Very low42.7Very low203 Ų203127.4 Ų127.477%0.76669%0.691SS**  trans-77.8108.3148.1-89.2-175175.71592.4107E842R840-E842 HydrophobicContact CB-CG 4.45Å; R840-E842 PolarHBondContact O-N 3.01Å
841P39.1Very low41.8Very low84 Ų84130.4 Ų130.455%0.54571%0.711SS.*  trans-70.994156.727.2-28.5000107R839 S843R839-P841 WeakPolarHBondContact O-CD 3.39Å; P841-S843 PolarHBondContact O-N 3.25Å
842E34.6Very low41Very low161 Ų161132 Ų13275%0.75273%0.726SS**  trans-73.893.5156.1-65.3-138.1151.400107.3R840R840-E842 HydrophobicContact CB-CG 4.45Å; R840-E842 PolarHBondContact O-N 3.01Å
843S34.7Very low40.3Very low92 Ų92132.9 Ų132.964%0.64374%0.738SS**  trans168.9103.115632.90000108.6P841P841-S843 PolarHBondContact O-N 3.25Å
844N37.1Very low39.2Very low164 Ų164136.8 Ų136.888%0.87776%0.761SS**  trans-163.668.3133.6-92.4-17.2000105.4A846N844-A846 PolarHBondContact O-N 3.35Å
845S36.1Very low38.6Very low130 Ų130134.6 Ų134.691%0.90977%0.771SS**  trans-75104.6150.7-50.90000105.3
846A37.9Very low37.9Very low170 Ų170139.9 Ų139.9100%1.40578%0.784SS**  trans-125.90159.800000106.7N844N844-A846 PolarHBondContact O-N 3.35Å

Retrieved 846 of 846 residues in 991.3 ms (Link to these results)