A0A077Z3J8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3J8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 671 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low41.8Very low237 Ų237154.3 Ų154.3100%1.16775%0.749SS**  0107.90-84.6-178-176.300108.1
2V36.9Very low42.1Very low141 Ų141144.8 Ų144.886%0.85571%0.707SS**  trans-103.2107.9171.3-179.90000106.2T4V2-T4 PolarHBondContact O-N 3.02Å
3R41Very low42.3Very low197 Ų197139 Ų13974%0.74369%0.69SS**  trans-76.7117.5174.4-84.2179.9173.4162.1-1.9108.2Y5R3-Y5 HydrophobicContact CB-CD2 4.47Å; R3-Y5 HydrophobicContact CB-CE2 4.1Å; R3-Y5 PolarHBondContact O-N 2.86Å
4T40.5Very low42.5Very low140 Ų140135.2 Ų135.286%0.85968%0.678SS**  trans-73.3103.8171.137.90000109.5V2V2-T4 PolarHBondContact O-N 3.02Å
5Y41.4Very low42.6Very low195 Ų195135 Ų13577%0.76567%0.672SS**  trans-79.3129.4167.7-76.6-90.2000109.1R3R3-Y5 HydrophobicContact CB-CD2 4.47Å; R3-Y5 HydrophobicContact CB-CE2 4.1Å; R3-Y5 PolarHBondContact O-N 2.86Å
6R43.5Very low42.6Very low244 Ų244131.7 Ų131.792%0.92166%0.664SS**  trans-59.7134.1175.1-74.7-177.4172.3-177.5-3.6109.8N8R6-N8 PolarHBondContact O-N 3.46Å
7Y39.1Very low42.5Very low195 Ų195130.5 Ų130.577%0.76566%0.66SS**  trans-56.9112.3-175.1-153.8-99.3000111.1T12Y7-T12 HydrophobicContact CD2-CG2 4.37Å; Y7-T12 HydrophobicContact CE2-CG2 4.19Å
8N45.7Very low42.5Very low80 Ų80126.8 Ų126.843%0.42865%0.652SS.*  trans-113.2105.9168.6-171.9-12.6000107.7R6 A10 L11 T12R6-N8 PolarHBondContact O-N 3.46Å; N8-A10 PolarHBondContact O-N 3.38Å; N8-A10 VanDerWaalsContact O-N 3.11Å; N8-L11 HydrophobicContact CB-CB 4.3Å; N8-L11 HydrophobicContact CB-CD1 4.1Å; N8-L11 HydrophobicContact CB-CG 4.38Å; N8-L11 PolarHBondContact O-N 3.42Å; N8-T12 PolarHBondContact O-N 3.48Å
9P47Very low42.9Very low90 Ų90126.4 Ų126.458%0.58465%0.647SS**Hα-helixtrans-62.2-22.2-170.220.5-29.8000114T12P9-T12 VanDerWaalsContact CA-OG1 3.29Å; P9-T12 WeakPolarHBondContact CA-OG1 3.5Å; P9-T12 PolarHBondContact O-OG1 2.64Å; P9-T12 VanDerWaalsContact O-OG1 3.09Å
10A42.8Very low43.1Very low71 Ų71122.7 Ų122.759%0.58764%0.636SS**Hα-helixtrans-77.8-28.317500000113.1N8N8-A10 PolarHBondContact O-N 3.38Å; N8-A10 VanDerWaalsContact O-N 3.11Å
11L43.3Very low43.4Very low107 Ų107125.1 Ų125.156%0.5664%0.637SS**Hα-helixtrans-82.3-33.7174.2-71.2172.4000110.9N8 S13 T14 F15N8-L11 HydrophobicContact CB-CB 4.3Å; N8-L11 HydrophobicContact CB-CD1 4.1Å; N8-L11 HydrophobicContact CB-CG 4.38Å; N8-L11 PolarHBondContact O-N 3.42Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.71Å; L11-T14 PolarHBondContact O-OG1 2.75Å; L11-F15 VanDerWaalsContact O-CB 3.27Å; L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 2.73Å
12T45.3Very low43.8Very low41 Ų41114.8 Ų114.825%0.25259%0.591SS.*Hα-helixtrans-67.3-28.1-179.251.30000113.5Y7 N8 P9 C16Y7-T12 HydrophobicContact CD2-CG2 4.37Å; Y7-T12 HydrophobicContact CE2-CG2 4.19Å; N8-T12 PolarHBondContact O-N 3.48Å; P9-T12 VanDerWaalsContact CA-OG1 3.29Å; P9-T12 WeakPolarHBondContact CA-OG1 3.5Å; P9-T12 PolarHBondContact O-OG1 2.64Å; P9-T12 VanDerWaalsContact O-OG1 3.09Å; T12-C16 WeakPolarHBondContact O-CB 3.38Å; T12-C16 PolarHBondContact O-N 3.07Å; T12-C16 PolarHBondContact O-SG 3.32Å
13S45.3Very low44.5Very low69 Ų69110.7 Ų110.748%0.48357%0.572SS.*Hα-helixtrans-71.8-40.9179.890.90000112.9L11 L17L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.71Å; S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.26Å; S13-L17 PolarHBondContact O-N 3.05Å; S13-L17 VanDerWaalsContact O-N 3.09Å
14T45.6Very low44.9Very low86 Ų86107.4 Ų107.453%0.52857%0.565SS.*Hα-helixtrans-76.8-36.7176.650.70000111.7L11 A18L11-T14 PolarHBondContact O-OG1 2.75Å; T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3.15Å
15F42.8Very low45.4Very low132 Ų132105.8 Ų105.858%0.57955%0.551SS**Hα-helixtrans-65-44.1173.3-129.1-103.7000111.1L11 A18 H19L11-F15 VanDerWaalsContact O-CB 3.27Å; L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 2.73Å; F15-A18 PolarHBondContact O-N 3.18Å; F15-H19 AromaticContact CD1-CD2 3.27Å; F15-H19 WeakPolarHBondContact CD1-CD2 3.39Å; F15-H19 AromaticContact CD1-NE2 3.34Å; F15-H19 VanDerWaalsContact CD1-NE2 3.34Å; F15-H19 WeakPolarHBondContact CD1-NE2 3.35Å; F15-H19 AromaticContact CE1-CD2 3.6Å; F15-H19 AromaticContact CE1-NE2 3.1Å; F15-H19 WeakPolarHBondContact CE1-NE2 3.48Å; F15-H19 VanDerWaalsContact O-CB 3.28Å; F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-CD2 3.42Å; F15-H19 PolarHBondContact O-N 3.45Å
16C42.4Very low45.6Very low82 Ų82103.9 Ų103.955%0.55455%0.547SS*.Hα-helixtrans-67-37178.3-71.60000112.4T12 H19 A20T12-C16 WeakPolarHBondContact O-CB 3.38Å; T12-C16 PolarHBondContact O-N 3.07Å; T12-C16 PolarHBondContact O-SG 3.32Å; C16-H19 PolarHBondContact O-N 3.4Å; C16-A20 WeakPolarHBondContact O-CB 3.23Å; C16-A20 PolarHBondContact O-N 3.45Å
17L41.4Very low45.9Very low112 Ų11299.3 Ų99.359%0.58654%0.536SS*.Hα-helixtrans-68.5-40175.1-82.9162.5000112.6S13 R21S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.26Å; S13-L17 PolarHBondContact O-N 3.05Å; S13-L17 VanDerWaalsContact O-N 3.09Å; L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 PolarHBondContact O-N 3.01Å
18A43.4Very low46.6Very low64 Ų6493.6 Ų93.653%0.52952%0.522SS..Hα-helixtrans-69.6-35.8175.300000112.1T14 F15 G22T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3.15Å; F15-A18 PolarHBondContact O-N 3.18Å; A18-G22 PolarHBondContact O-N 3.25Å
19H49.7Very low46.6Very low119 Ų11994.3 Ų94.355%0.55153%0.525SS*.Hα-helixtrans-73-34.8174.2-88-86.1000112.9F15 C16 G22 A23F15-H19 AromaticContact CD1-CD2 3.27Å; F15-H19 WeakPolarHBondContact CD1-CD2 3.39Å; F15-H19 AromaticContact CD1-NE2 3.34Å; F15-H19 VanDerWaalsContact CD1-NE2 3.34Å; F15-H19 WeakPolarHBondContact CD1-NE2 3.35Å; F15-H19 AromaticContact CE1-CD2 3.6Å; F15-H19 AromaticContact CE1-NE2 3.1Å; F15-H19 WeakPolarHBondContact CE1-NE2 3.48Å; F15-H19 VanDerWaalsContact O-CB 3.28Å; F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-CD2 3.42Å; F15-H19 PolarHBondContact O-N 3.45Å; C16-H19 PolarHBondContact O-N 3.4Å; H19-G22 PolarHBondContact O-N 2.97Å; H19-A23 VanDerWaalsContact O-CB 3.32Å; H19-A23 WeakPolarHBondContact O-CB 3.43Å; H19-A23 PolarHBondContact O-N 3.35Å
20A46.2Very low46.6Very low51 Ų5192.6 Ų92.642%0.42152%0.519SS..Hα-helixtrans-67.4-46.9174.600000111C16 G22 A23 E24C16-A20 WeakPolarHBondContact O-CB 3.23Å; C16-A20 PolarHBondContact O-N 3.45Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 2.86Å; A20-A23 PolarHBondContact O-N 2.77Å; A20-E24 PolarHBondContact O-N 3.19Å
21R50.8Low47.2Very low175 Ų17594.8 Ų94.866%0.6652%0.516SS*.Hα-helixtrans-60.8-43.6171.5-76.4-175.4178.9170.70.5111.8L17 A23 E24 D25L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 PolarHBondContact O-N 3.01Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 3.47Å; R21-E24 PolarHBondContact O-N 2.98Å; R21-D25 WeakPolarHBondContact O-CB 3.4Å; R21-D25 PolarHBondContact O-N 2.89Å
22G46.5Very low48Very low19 Ų1994.7 Ų94.720%0.19651%0.513CS..Hα-helixtrans-59.3-39.9174.800000112.5A18 H19 A20 D25 F26A18-G22 PolarHBondContact O-N 3.25Å; H19-G22 PolarHBondContact O-N 2.97Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 2.86Å; G22-D25 PolarHBondContact O-N 2.67Å; G22-F26 WeakPolarHBondContact O-CB 3.44Å; G22-F26 WeakPolarHBondContact O-CD2 3.5Å; G22-F26 WeakPolarHBondContact O-CG 3.43Å; G22-F26 PolarHBondContact O-N 3.03Å
23A50.1Low49Very low56 Ų5696.2 Ų96.246%0.46352%0.522SS..Hα-helixtrans-67.4-41.6177.900000112.4H19 A20 R21 F26 Q27H19-A23 VanDerWaalsContact O-CB 3.32Å; H19-A23 WeakPolarHBondContact O-CB 3.43Å; H19-A23 PolarHBondContact O-N 3.35Å; A20-A23 PolarHBondContact O-N 2.77Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 3.47Å; A23-F26 PolarHBondContact O-N 3.03Å; A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.17Å
24E49.6Very low50.1Low127 Ų12798 Ų9859%0.59352%0.523SS*.Hα-helixtrans-62.9-44.1172.1-72.1177.7179.500111.1A20 R21 F26 Q27 T28A20-E24 PolarHBondContact O-N 3.19Å; R21-E24 PolarHBondContact O-N 2.98Å; E24-F26 PolarHBondContact O-N 2.95Å; E24-Q27 PolarHBondContact O-N 3.44Å; E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.32Å; E24-T28 PolarHBondContact O-OG1 3.14Å
25D52.3Low51.4Low107 Ų10798.2 Ų98.257%0.57252%0.52SS*.Hα-helixtrans-60.9-44.6175.6-69.3-23.4000111R21 G22 Q27 T28 L29R21-D25 WeakPolarHBondContact O-CB 3.4Å; R21-D25 PolarHBondContact O-N 2.89Å; G22-D25 PolarHBondContact O-N 2.67Å; D25-Q27 PolarHBondContact O-N 2.77Å; D25-T28 PolarHBondContact O-N 3.29Å; D25-L29 VanDerWaalsContact O-CB 3.24Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 2.68Å
26F44.2Very low52.9Low154 Ų15498.4 Ų98.468%0.67552%0.523SS*.Hα-helixtrans-64.1-38.6175.9-80-63.3000112.4G22 A23 E24 A30G22-F26 WeakPolarHBondContact O-CB 3.44Å; G22-F26 WeakPolarHBondContact O-CD2 3.5Å; G22-F26 WeakPolarHBondContact O-CG 3.43Å; G22-F26 PolarHBondContact O-N 3.03Å; A23-F26 PolarHBondContact O-N 3.03Å; E24-F26 PolarHBondContact O-N 2.95Å; F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 3.07Å
27Q51.4Low54.4Low148 Ų148102.2 Ų102.269%0.69253%0.526SS*.Hα-helixtrans-70.5-38178.5-164.8168.29.400111.2A23 E24 D25 A30 H31A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.17Å; E24-Q27 PolarHBondContact O-N 3.44Å; D25-Q27 PolarHBondContact O-N 2.77Å; Q27-A30 PolarHBondContact O-N 3Å; Q27-H31 WeakPolarHBondContact O-CB 3.35Å; Q27-H31 PolarHBondContact O-N 2.78Å
28T52.4Low56Low75 Ų75100 Ų10046%0.4651%0.514SS..Hα-helixtrans-67.4-45.5175-44.90000110.5E24 D25 A30 H31 E32E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.32Å; E24-T28 PolarHBondContact O-OG1 3.14Å; D25-T28 PolarHBondContact O-N 3.29Å; T28-A30 PolarHBondContact O-N 3.05Å; T28-H31 WeakPolarHBondContact O-CB 3.46Å; T28-H31 PolarHBondContact O-N 2.92Å; T28-H31 VanDerWaalsContact O-N 3.14Å; T28-E32 WeakPolarHBondContact O-CG 3.37Å; T28-E32 PolarHBondContact O-N 2.84Å
29L46.7Very low57.5Low95 Ų9599.8 Ų99.850%0.49751%0.512SS..Hα-helixtrans-64-38.1175.5-148.8100.2000111.9D25 H31 E32 T33D25-L29 VanDerWaalsContact O-CB 3.24Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 2.68Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-E32 PolarHBondContact O-N 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.25Å; L29-T33 VanDerWaalsContact O-CG2 3.24Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.29Å; L29-T33 PolarHBondContact O-OG1 2.91Å
30A47.1Very low58.6Low55 Ų5596.3 Ų96.346%0.45550%0.501SS..Hα-helixtrans-65.4-37.5173.900000111.7F26 Q27 T28 T33 H34F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 3.07Å; Q27-A30 PolarHBondContact O-N 3Å; T28-A30 PolarHBondContact O-N 3.05Å; A30-T33 WeakPolarHBondContact CA-OG1 3.46Å; A30-T33 PolarHBondContact O-OG1 2.93Å; A30-H34 VanDerWaalsContact O-CB 3.29Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.49Å
31H55Low60Low116 Ų11698.2 Ų98.254%0.53750%0.502SS..Hα-helixtrans-70-43.6175.7-172.6-99.5000111.8Q27 T28 L29 H34 L35Q27-H31 WeakPolarHBondContact O-CB 3.35Å; Q27-H31 PolarHBondContact O-N 2.78Å; T28-H31 WeakPolarHBondContact O-CB 3.46Å; T28-H31 PolarHBondContact O-N 2.92Å; T28-H31 VanDerWaalsContact O-N 3.14Å; L29-H31 VanDerWaalsContact C-N 3.33Å; H31-H34 PolarHBondContact O-N 2.98Å; H31-L35 VanDerWaalsContact CE1-CD1 3.47Å; H31-L35 WeakPolarHBondContact CE1-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CG 3.4Å; H31-L35 PolarHBondContact O-N 3.42Å
32E59Low61.1Low106 Ų10699 Ų9950%0.49551%0.505SS..Hα-helixtrans-60.4-48.2174.4-74.3178.4170.700111.4T28 L29 H34 L35 E36T28-E32 WeakPolarHBondContact O-CG 3.37Å; T28-E32 PolarHBondContact O-N 2.84Å; L29-E32 PolarHBondContact O-N 3.31Å; E32-H34 VanDerWaalsContact C-N 3.3Å; E32-H34 PolarHBondContact O-N 3.27Å; E32-L35 PolarHBondContact O-N 3.22Å; E32-L35 VanDerWaalsContact O-N 3.17Å; E32-E36 WeakPolarHBondContact O-CB 3.4Å; E32-E36 WeakPolarHBondContact O-CG 3.4Å; E32-E36 PolarHBondContact O-N 2.9Å
33T67.3Low62.6Low72 Ų72105.8 Ų105.844%0.44253%0.529SS..Hα-helixtrans-63.9-33.6176.553.10000112.6L29 A30 R37L29-T33 WeakPolarHBondContact O-CB 3.25Å; L29-T33 VanDerWaalsContact O-CG2 3.24Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.29Å; L29-T33 PolarHBondContact O-OG1 2.91Å; A30-T33 WeakPolarHBondContact CA-OG1 3.46Å; A30-T33 PolarHBondContact O-OG1 2.93Å; T33-R37 VanDerWaalsContact O-CB 3.27Å; T33-R37 WeakPolarHBondContact O-CB 3.49Å; T33-R37 PolarHBondContact O-N 3.15Å
34H67.7Low64.1Low108 Ų108110 Ų11050%0.554%0.537SS..Hα-helixtrans-69.1-40.9173.5-171.6-93.1000112.1A30 H31 E32 R37 L38A30-H34 VanDerWaalsContact O-CB 3.29Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.49Å; H31-H34 PolarHBondContact O-N 2.98Å; E32-H34 VanDerWaalsContact C-N 3.3Å; E32-H34 PolarHBondContact O-N 3.27Å; H34-R37 PolarHBondContact O-N 3.13Å; H34-L38 WeakPolarHBondContact O-CG 3.41Å; H34-L38 PolarHBondContact O-N 3.33Å
35L73.5Confident65.2Low90 Ų90106.5 Ų106.547%0.47153%0.53SS..Hα-helixtrans-65-42.3174-72.9178000112H31 E32 R37 L38 A39H31-L35 VanDerWaalsContact CE1-CD1 3.47Å; H31-L35 WeakPolarHBondContact CE1-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CG 3.4Å; H31-L35 PolarHBondContact O-N 3.42Å; E32-L35 PolarHBondContact O-N 3.22Å; E32-L35 VanDerWaalsContact O-N 3.17Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 3.3Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.93Å
36E74.5Confident66.2Low136 Ų136103.9 Ų103.964%0.63652%0.522SS*.Hα-helixtrans-61.4-41.4173-75.7-173.416200111.5E32 A39 S40E32-E36 WeakPolarHBondContact O-CB 3.4Å; E32-E36 WeakPolarHBondContact O-CG 3.4Å; E32-E36 PolarHBondContact O-N 2.9Å; E36-A39 PolarHBondContact O-N 3.17Å; E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.32Å
37R74.3Confident67.7Low161 Ų16199.2 Ų99.261%0.60851%0.507SS*.Hα-helixtrans-62.5-47175.9-163.2178.4-159.1150.83.8111.1T33 H34 L35 A39 S40 E41T33-R37 VanDerWaalsContact O-CB 3.27Å; T33-R37 WeakPolarHBondContact O-CB 3.49Å; T33-R37 PolarHBondContact O-N 3.15Å; H34-R37 PolarHBondContact O-N 3.13Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.36Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 2.88Å; R37-S40 WeakPolarHBondContact O-CB 3.47Å; R37-S40 PolarHBondContact O-N 2.68Å; R37-S40 PolarHBondContact O-OG 3.07Å; R37-E41 WeakPolarHBondContact O-CG 3.24Å; R37-E41 PolarHBondContact O-N 2.88Å
38L75.2Confident68.7Low66 Ų6694.5 Ų94.535%0.34649%0.493SS..Hα-helixtrans-60.8-40.8174.9-77.7171.6000112.1H34 L35 E41 R42H34-L38 WeakPolarHBondContact O-CG 3.41Å; H34-L38 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 3.3Å; L38-E41 PolarHBondContact O-N 3.48Å; L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å; L38-R42 PolarHBondContact O-N 3.45Å
39A74.6Confident69.5Low59 Ų5996.9 Ų96.949%0.48850%0.503SS..Hα-helixtrans-63.9-41.5174.700000111.4L35 E36 R37 R42 K43L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 3.17Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 2.88Å; A39-R42 PolarHBondContact O-N 3.34Å; A39-K43 WeakPolarHBondContact O-CB 3.41Å; A39-K43 PolarHBondContact O-N 3.08Å
40S72.7Confident70.6Confident46 Ų46102.4 Ų102.432%0.32252%0.517SS..Hα-helixtrans-64.9-38.4176.286.90000112.3E36 R37 K43 K44E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.32Å; R37-S40 WeakPolarHBondContact O-CB 3.47Å; R37-S40 PolarHBondContact O-N 2.68Å; R37-S40 PolarHBondContact O-OG 3.07Å; S40-K43 PolarHBondContact O-N 2.94Å; S40-K44 WeakPolarHBondContact O-CG 3.48Å; S40-K44 PolarHBondContact O-N 2.88Å
41E76.2Confident71.6Confident92 Ų92109.5 Ų109.543%0.4353%0.532SS..Hα-helixtrans-69.6-41.2176.6-76-177.8175.900111.4R37 L38 K43 K44 A45R37-E41 WeakPolarHBondContact O-CG 3.24Å; R37-E41 PolarHBondContact O-N 2.88Å; L38-E41 PolarHBondContact O-N 3.48Å; E41-K43 PolarHBondContact O-N 2.69Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-A45 WeakPolarHBondContact O-CB 3.39Å; E41-A45 PolarHBondContact O-N 3.06Å
42R73.8Confident71.7Confident191 Ų191113 Ų11372%0.72154%0.54SS*.Hα-helixtrans-60.1-43.7171.3-75.3177177.8177.10.9111.8L38 A39 K44 A45 A46L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å; L38-R42 PolarHBondContact O-N 3.45Å; A39-R42 PolarHBondContact O-N 3.34Å; R42-K44 PolarHBondContact O-N 3.16Å; R42-A45 PolarHBondContact O-N 2.81Å; R42-A46 WeakPolarHBondContact O-CB 2.9Å; R42-A46 PolarHBondContact O-N 3.17Å
43K78.1Confident71.1Confident161 Ų161114.9 Ų114.970%0.755%0.549SS*.Hα-helixtrans-62.7-41.5175.9-168.6173.9-178.2175.70111.5A39 S40 E41 T47A39-K43 WeakPolarHBondContact O-CB 3.41Å; A39-K43 PolarHBondContact O-N 3.08Å; S40-K43 PolarHBondContact O-N 2.94Å; E41-K43 PolarHBondContact O-N 2.69Å; K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.14Å
44K80.1Confident69.9Low145 Ų145116.2 Ų116.263%0.6356%0.559SS**Hα-helixtrans-65-43174.3-74.8171.3-176.6168.40112.2S40 E41 R42 T47 A48S40-K44 WeakPolarHBondContact O-CG 3.48Å; S40-K44 PolarHBondContact O-N 2.88Å; E41-K44 PolarHBondContact O-N 2.89Å; R42-K44 PolarHBondContact O-N 3.16Å; K44-T47 PolarHBondContact O-N 2.65Å; K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 3.45Å
45A73.2Confident68.9Low54 Ų54120.1 Ų120.145%0.44658%0.575SS.*Hα-helixtrans-63.9-44.3177.300000111.8E41 R42 T47 A48 L49E41-A45 WeakPolarHBondContact O-CB 3.39Å; E41-A45 PolarHBondContact O-N 3.06Å; R42-A45 PolarHBondContact O-N 2.81Å; A45-T47 PolarHBondContact O-N 2.84Å; A45-A48 PolarHBondContact O-N 2.84Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 2.81Å
46A73.9Confident67.4Low51 Ų51126.5 Ų126.542%0.42159%0.592SS.*Hα-helixtrans-62.7-40.9174.700000112.1R42 L49 R50R42-A46 WeakPolarHBondContact O-CB 2.9Å; R42-A46 PolarHBondContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 3.35Å; A46-R50 PolarHBondContact O-N 3.4Å
47T75.1Confident65.6Low56 Ų56127 Ų12734%0.34460%0.599SS.*Hα-helixtrans-66.7-38.4175.9-50.50000111.7K43 K44 A45 R50 R51K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.14Å; K44-T47 PolarHBondContact O-N 2.65Å; A45-T47 PolarHBondContact O-N 2.84Å; T47-R50 PolarHBondContact O-N 2.82Å; T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 3.46Å
48A73.3Confident63.7Low50 Ų50126.5 Ų126.541%0.41361%0.608SS.*Hα-helixtrans-67.1-38175.200000112.2K44 A45 R51 R52K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 3.45Å; A45-A48 PolarHBondContact O-N 2.84Å; A48-R51 PolarHBondContact O-N 3.47Å; A48-R52 WeakPolarHBondContact O-CG 3.47Å; A48-R52 PolarHBondContact O-N 3.39Å; A48-R52 VanDerWaalsContact O-N 3.16Å
49L69.2Low62Low125 Ų125130.7 Ų130.765%0.65463%0.63SS**Hα-helixtrans-63.1-45.8171.9-100.8151.6000111.7A45 A46 R51 R52 Q53A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 2.81Å; A46-L49 PolarHBondContact O-N 3.35Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-R52 VanDerWaalsContact O-N 3.1Å; L49-Q53 PolarHBondContact O-N 3.28Å
50R68.7Low60.2Low210 Ų210134.9 Ų134.979%0.79264%0.644SS**Hα-helixtrans-60-35.5174.4-79.8-169.4174.7-174.7-1112.8A46 T47 R52A46-R50 PolarHBondContact O-N 3.4Å; T47-R50 PolarHBondContact O-N 2.82Å; R50-R52 VanDerWaalsContact C-N 3.34Å
51R67.6Low58.6Low205 Ų205141.9 Ų141.977%0.77467%0.672SS**Hα-helixtrans-73.5-21.5175.9-74.1179.6178.6157.30.6114.2T47 A48 L49T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 3.46Å; A48-R51 PolarHBondContact O-N 3.47Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å
52R57Low56.8Low189 Ų189142 Ų14271%0.71368%0.683SS**Hα-helixtrans-90.4-13.5178.6-75.7-178175.4-172.7-1113.5A48 L49 R50A48-R52 WeakPolarHBondContact O-CG 3.47Å; A48-R52 PolarHBondContact O-N 3.39Å; A48-R52 VanDerWaalsContact O-N 3.16Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-R52 VanDerWaalsContact O-N 3.1Å; R50-R52 VanDerWaalsContact C-N 3.34Å
53Q47.4Very low54.9Low145 Ų145141.7 Ų141.768%0.67869%0.69SS**SBendtrans-58.8124168-80-95.5-11.500108.1L49 K55L49-Q53 PolarHBondContact O-N 3.28Å; Q53-K55 PolarHBondContact O-N 3.37Å
54P41.1Very low53Low101 Ų101140 Ų14066%0.65669%0.693SS**  trans-57128.6177.321.9-29.2000108R56P54-R56 PolarHBondContact O-N 2.99Å
55K46.7Very low50.6Low190 Ų190142.3 Ų142.383%0.82670%0.703SS**  trans-54.485.8169.5-78.1179.1172.9-178.90108.7Q53Q53-K55 PolarHBondContact O-N 3.37Å
56R42.2Very low48.9Very low224 Ų224145 Ų14585%0.84571%0.713SS**  trans-100.8104.1159.3-92-175.2160.6157-4105.5P54P54-R56 PolarHBondContact O-N 2.99Å
57D37.5Very low46.9Very low145 Ų145149.1 Ų149.178%0.77573%0.728SS**  trans67.684.3159.3-50.1-31.3000116.2L59D57-L59 PolarHBondContact O-N 2.83Å
58L34.3Very low45.1Very low152 Ų152152.8 Ų152.880%0.79675%0.746SS**  trans-58.499.2147.9-91.6127.4000109.2
59L39.3Very low43.3Very low153 Ų153159.4 Ų159.480%0.80177%0.769SS**  trans-151.9121.9153.1-79.5178.1000107.8D57D57-L59 PolarHBondContact O-N 2.83Å
60D37.7Very low41.9Very low147 Ų147163.3 Ų163.379%0.78677%0.774SS**  trans49.1112.1171.3-66.3-28.1000115.4
61E38.3Very low40.2Very low193 Ų193160.4 Ų160.490%0.90278%0.775SS**  -152.1127.470.6-80.317316100110.3
62S39Very low38.6Very low96 Ų96154.4 Ų154.467%0.67177%0.769SS**  trans-52.8139.4165.839.40000113.2
63E34.3Very low37.5Very low183 Ų183151.6 Ų151.686%0.85577%0.773SS**  trans51.893.9142.6-60.9-179.4173.100117.6
64V36.5Very low36.8Very low127 Ų127151.3 Ų151.377%0.7779%0.785SS**  trans-133.191.6143.3-165.10000108.7V66V64-V66 HydrophobicContact CG1-CG2 3.37Å
65F31.5Very low36.6Very low192 Ų192155.4 Ų155.484%0.84280%0.796SS**  trans-63.5123.9147.3-103.2-102.9000106.9
66V36.6Very low36.1Very low110 Ų110155.6 Ų155.667%0.66780%0.797SS**  trans-126.788.3157.7-170.50000106.7V64 D68V64-V66 HydrophobicContact CG1-CG2 3.37Å; V66-D68 HydrophobicContact CG1-CB 4.22Å
67D32.2Very low35.8Very low138 Ų138154.2 Ų154.274%0.73880%0.8SS**  trans-82.2123.4137.4-79.1-47.2000105.1
68D36.2Very low35.5Very low133 Ų133153.3 Ų153.371%0.71181%0.805SS**  trans-155.888.1158-114-22.4000109.3V66 R70V66-D68 HydrophobicContact CG1-CB 4.22Å; D68-R70 PolarHBondContact O-N 3.47Å
69E36.8Very low35.4Very low190 Ų190149.4 Ų149.489%0.88880%0.801SS**  trans-62107.1136.2-77.5-173.7132.600107.6
70R39.5Very low35.1Very low206 Ų206151.3 Ų151.378%0.77781%0.806SS**  trans174.9106.3151.9-100.9160.6-176.5-156.62.5107.7D68D68-R70 PolarHBondContact O-N 3.47Å
71D33.3Very low35Very low150 Ų150152.9 Ų152.980%0.80281%0.813SS**  80.1129.594.1-85.5-31.6000113.2
72A32.4Very low34.5Very low79 Ų79147 Ų14765%0.65381%0.805SS**  trans81.3102.814300000118.8
73T34.1Very low34.3Very low129 Ų129148.9 Ų148.979%0.79182%0.815SS**  64.3115.8123.659.80000118.7
74C34.1Very low34.3Very low139 Ų139148.6 Ų148.694%0.93982%0.818SS**  -149.8129.1129.3-113.80000112.3
75E36.7Very low34.1Very low187 Ų187151.4 Ų151.487%0.87482%0.823SS**  trans-70.6165.1179.4-71.6173.411500113.5
76K35.4Very low34Very low195 Ų195147.4 Ų147.485%0.84882%0.819SS**  trans-37.4134.6169.4-61.1167.9177.2174.50115.1
77H37Very low33.7Very low195 Ų195152 Ų15290%0.90383%0.83SS**  trans-145.3108.6143-88.8-72.8000110.7
78S30.9Very low33.6Very low126 Ų126150.5 Ų150.588%0.88184%0.837SS**  trans-86.4137.1160.343.40000109.1
79G32.5Very low33.6Very low70 Ų70153.2 Ų153.272%0.72284%0.842SS**  trans174.773.8179.900000115.4
80Q32.8Very low33.3Very low192 Ų192151.5 Ų151.590%0.89784%0.839SS**  42.997.1127-159.6173.345.100119.2
81L35.2Very low33.2Very low180 Ų180147.1 Ų147.194%0.94284%0.837SS**  trans-146.5123.3148.4-77.6178.7000110.3
82G28.2Very low32.9Very low71 Ų71146.4 Ų146.473%0.73284%0.843SS**  trans-86.5-177.7-176.400000115.5
83P34.2Very low32.8Very low135 Ų135154.4 Ų154.488%0.87786%0.856SS**  trans-93.9148.9-158.236.4-33.3000114.8
84L33.7Very low32.8Very low177 Ų177153.8 Ų153.893%0.92786%0.857SS**  trans-119117.5173.5-87.2159.2000111.1
85Q32.5Very low32.5Very low185 Ų185150.4 Ų150.486%0.86485%0.846SS**  trans-97.8138.8161-72.3-166.76.600109.8
86S30.2Very low32.2Very low109 Ų109149.2 Ų149.276%0.76285%0.845SS**  161.5126.5121.453.70000114.9
87K30.8Very low31.8Very low205 Ų205147.5 Ų147.589%0.89185%0.845SS**  trans48.8117.8135-60.2-178.7179.4174.80121
88A30.2Very low31.4Very low108 Ų108145.9 Ų145.989%0.89384%0.838SS**  trans-138.7136.3139.500000110.7
89K34.2Very low31.1Very low190 Ų190147 Ų14783%0.82683%0.829SS**  trans-96.7148-172.4-77.4174.1170.8177.10112
90N32.1Very low30.8Very low153 Ų153151.6 Ų151.682%0.81884%0.836SS**  trans124.7139132.9-77.3-19.7000117.8
91P36.5Very low30.4Very low114 Ų114151.4 Ų151.474%0.7483%0.828SS**  trans-102.7154.3-168.839.7-30.5000113.3
92C27.8Very low29.9Very low135 Ų135152 Ų15291%0.91283%0.826SS**  trans-134.4117.6161.5-78.70000109.3
93R28.8Very low29.8Very low248 Ų248156.9 Ų156.994%0.93683%0.827SS**  trans-69.3129162.6-82.1176.1161.4-160.7-4.1108.7
94S34.7Very low29.2Very low115 Ų115156.1 Ų156.180%0.80482%0.823SS**  trans177.6121.1134.356.10000110.6
95G28.5Very low28.8Very low69 Ų69155.4 Ų155.471%0.71182%0.82SS**  trans61.1113.8134.800000119.4
96N31.1Very low28.4Very low162 Ų162154.7 Ų154.787%0.86682%0.816SS**  trans78.592.8150.1-62.4-2.4000117.7H98N96-H98 PolarHBondContact O-N 2.85Å
97D26.2Very low28.2Very low158 Ų158155.1 Ų155.185%0.84581%0.806SS**  trans-8.2102.8151.1-66.5-35.1000116.7
98H27.6Very low28Very low161 Ų161152.1 Ų152.175%0.74581%0.808SS**  trans-163.3127.8150.4-97-57.5000109.3N96N96-H98 PolarHBondContact O-N 2.85Å
99H26.2Very low27.7Very low149 Ų149155.4 Ų155.469%0.6980%0.797SS**  trans53.2101.2152.7-55.6-64.6000119.3
100L26Very low27.4Very low168 Ų168153.5 Ų153.588%0.8879%0.791SS**  trans-141.391.8142.9-93.8147.7000106.7
101Y24Very low27.1Very low187 Ų187155.1 Ų155.173%0.73379%0.793SS**  52.7103.1103.3-83.6-88.4000112.9
102H25.1Very low26.6Very low193 Ų193158.2 Ų158.289%0.89480%0.796SS**  -149.7117.2126-110.2-78.9000109.4C104H102-C104 PolarHBondContact O-N 2.81Å
103K25Very low26.5Very low174 Ų174161.8 Ų161.876%0.75779%0.791SS**  trans-59.7116.8168.7-70.9173.8172.4-178.10108.6
104C23.4Very low26.5Very low118 Ų118153.1 Ų153.180%0.79777%0.768SS**  trans-126.491151.7-89.70000107H102 H106H102-C104 PolarHBondContact O-N 2.81Å; C104-H106 PolarHBondContact O-N 2.85Å
105L23.4Very low26.2Very low163 Ų163158.8 Ų158.885%0.85377%0.772SS**  trans-68.7100.5155.2-81.3152.4000106.2
106H25.9Very low26.4Very low169 Ų169163.6 Ų163.678%0.78278%0.775SS**  trans-144.1138.8157.4-97-72.2000108.2C104C104-H106 PolarHBondContact O-N 2.85Å
107E25.1Very low26.4Very low118 Ų118159.6 Ų159.655%0.55176%0.759SS**  trans-35.7158.6173.4-67170.7114.200113.3R109E107-R109 HydrophobicContact CB-CB 4.41Å; E107-R109 HydrophobicContact CB-CG 4.16Å; E107-R109 PolarHBondContact O-N 3.49Å; E107-R109 IonicContact OE1-NE 2.75Å; E107-R109 WeakPolarHBondContact OE2-CD 3.1Å; E107-R109 IonicContact OE2-NE 2.64Å
108P26Very low26.7Very low143 Ų143160 Ų16093%0.92976%0.758SS**SBendtrans-69.372161.532-31.6000108.8
109R25Very low26.8Very low176 Ų176155.4 Ų155.466%0.66476%0.755SS**  trans-121.3129.7164.5-76.6-170.3178.9-162.21.2106.3E107E107-R109 HydrophobicContact CB-CB 4.41Å; E107-R109 HydrophobicContact CB-CG 4.16Å; E107-R109 PolarHBondContact O-N 3.49Å; E107-R109 IonicContact OE1-NE 2.75Å; E107-R109 WeakPolarHBondContact OE2-CD 3.1Å; E107-R109 IonicContact OE2-NE 2.64Å
110E26.8Very low27.1Very low150 Ų150152.7 Ų152.770%0.70175%0.745SS**  trans70.797.3162.8-58.7172.4-166.700114.4F112E110-F112 PolarHBondContact O-N 3.41Å
111H26.9Very low27.6Very low187 Ų187149.9 Ų149.987%0.86674%0.737SS**  trans-57.197.1146.6-82.2-56.9000107.2Y113H111-Y113 PolarHBondContact O-N 3.09Å
112F24.6Very low28.2Very low180 Ų180145.4 Ų145.479%0.78973%0.729SS**  trans-49.881.9162.1-96.2-101.1000109E110 C114E110-F112 PolarHBondContact O-N 3.41Å; F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 2.99Å
113Y26.4Very low28.8Very low209 Ų209140.3 Ų140.382%0.8271%0.708SS**  trans-77.8100.2144.7-82.5-81.2000105.5H111 R115H111-Y113 PolarHBondContact O-N 3.09Å; Y113-R115 PolarHBondContact O-N 3Å
114C28.4Very low29Very low67 Ų67140.8 Ų140.845%0.45371%0.705SS.*  trans-42.1109.2175.5-175.20000109.6F112 H116 C117F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 2.99Å; C114-H116 PolarHBondContact O-N 3.18Å; C114-C117 WeakPolarHBondContact O-CB 3.27Å; C114-C117 PolarHBondContact O-N 2.83Å
115R29.5Very low29.4Very low234 Ų234142 Ų14288%0.88370%0.699SS**THydrogen-bonded Turntrans-61.8-6.6177.9-148.4175.1-177.7-174.80.3112.2Y113Y113-R115 PolarHBondContact O-N 3Å
116H31.1Very low29.6Very low170 Ų170139.1 Ų139.179%0.78769%0.692SS**THydrogen-bonded Turntrans-83.6-16.2170.2-91.8-30.7000115C114 M118 G119C114-H116 PolarHBondContact O-N 3.18Å; H116-M118 PolarHBondContact O-N 3.08Å; H116-G119 PolarHBondContact O-N 3.38Å
117C31.9Very low29.8Very low77 Ų77138 Ų13852%0.5269%0.69SS.*THydrogen-bonded Turntrans-76.5-2.9179-59.20000113.7C114C114-C117 WeakPolarHBondContact O-CB 3.27Å; C114-C117 PolarHBondContact O-N 2.83Å
118M32.4Very low30Very low166 Ų166136.1 Ų136.182%0.81870%0.695SS**THydrogen-bonded Turntrans-97.23.5176-62.4-139.2-62.600113.8H116H116-M118 PolarHBondContact O-N 3.08Å
119G30.4Very low30Very low66 Ų66136.7 Ų136.768%0.6869%0.685SS**SBendtrans-93.2-16.3-174.700000116H116H116-G119 PolarHBondContact O-N 3.38Å
120N32.5Very low29.9Very low92 Ų92134.1 Ų134.149%0.49269%0.692SS.*  trans-125.9121.6-174.6-118.6-13.7000111.4T122 D123N120-T122 PolarHBondContact O-N 3.07Å; N120-D123 PolarHBondContact O-N 3.09Å
121P35.6Very low29.9Very low108 Ų108131.9 Ų131.970%0.70169%0.693SS**G310 helixtrans-65.1-23.5-178.624-31.6000113.4
122T37.2Very low30Very low94 Ų94130.6 Ų130.658%0.57769%0.693SS**G310 helixtrans-75.9-21.6178.938.90000114.5N120 R124N120-T122 PolarHBondContact O-N 3.07Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.34Å
123D36.6Very low30Very low85 Ų85130.9 Ų130.946%0.45569%0.689SS.*G310 helixtrans-84.2-6.8-179.3-72.9-33.2000113.3N120 E125 C126N120-D123 PolarHBondContact O-N 3.09Å; D123-E125 PolarHBondContact O-N 2.96Å; D123-C126 PolarHBondContact O-N 3.11Å
124R29.6Very low30.1Very low184 Ų184126.5 Ų126.569%0.69469%0.686SS**G310 helixtrans-67-21174.6-86.7-177169.7173.6-2.6113.5T122 C126T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.34Å; R124-C126 VanDerWaalsContact C-N 3.3Å; R124-C126 PolarHBondContact O-N 3.41Å
125E31.5Very low30Very low143 Ų143129 Ų12967%0.66870%0.703SS**G310 helixtrans-74.4-20.7178-70.2179.3167.400112.5D123 I127 H129D123-E125 PolarHBondContact O-N 2.96Å; E125-I127 PolarHBondContact O-N 2.94Å; E125-H129 PolarHBondContact O-CD2 2.98Å
126C29.3Very low29.9Very low103 Ų103122.9 Ų122.970%0.69670%0.702SS**G310 helixtrans-80.9-9.6-176.7-71.30000115.1D123 R124D123-C126 PolarHBondContact O-N 3.11Å; R124-C126 VanDerWaalsContact C-N 3.3Å; R124-C126 PolarHBondContact O-N 3.41Å
127I29.1Very low29.7Very low147 Ų147118.1 Ų118.175%0.75470%0.699SS**G310 helixtrans-94.7-4.3178.8-60.1175.2000111.5E125E125-I127 PolarHBondContact O-N 2.94Å
128A28.6Very low29.4Very low78 Ų78122.5 Ų122.565%0.64572%0.717SS**SBendtrans-103.43.2-174.800000115.3
129H26.9Very low28.9Very low155 Ų155117.8 Ų117.872%0.71871%0.711SS**  trans-112.183.9-174.4-70-62.9000112.9E125E125-H129 PolarHBondContact O-CD2 2.98Å
130C23.7Very low28.7Very low122 Ų122121 Ų12182%0.82472%0.718SS**  trans-126.386.2155.9-150.30000108
131S25.6Very low28.3Very low102 Ų102121.6 Ų121.671%0.71372%0.721SS**  trans-88.9111.6177.947.10000109.8
132N28.6Very low27.8Very low160 Ų160123 Ų12386%0.85672%0.718SS**  trans-107.5101.4167.3-85.4-12000110.5
133W24.3Very low27.2Very low187 Ų187128.3 Ų128.371%0.70873%0.729SS**  trans-61.5151.5165-100.812.3000112.2C135 P215W133-C135 PolarHBondContact O-N 3.23Å; W133-P215 HydrophobicContact CH2-CB 4.38Å; W133-P215 HydrophobicContact CZ2-CB 4.42Å; W133-P215 HydrophobicContact CZ2-CG 4.29Å
134P28.5Very low26.6Very low117 Ų117131.8 Ų131.876%0.7674%0.74SS**  trans-79.8113.1174.431.7-28.8000110.3
135C26.9Very low26.4Very low119 Ų119129.5 Ų129.580%0.80475%0.751SS**  trans-78.4124.5164.3-88.80000110.1W133W133-C135 PolarHBondContact O-N 3.23Å
136A28.1Very low26Very low106 Ų106128 Ų12888%0.87676%0.755SS**  trans-77.5144.6174.300000111.3
137G25.5Very low25.8Very low69 Ų69126.5 Ų126.571%0.71175%0.75SS**  trans122.6101.516000000115.1
138N26.4Very low25.6Very low170 Ų170125.4 Ų125.491%0.90975%0.746SS**SBendtrans61.391151.3-63.2-7.9000119
139G22.8Very low25.6Very low67 Ų67125.9 Ų125.969%0.69174%0.742SS**  trans81.7140.9145.300000115.6
140T24.7Very low25.6Very low134 Ų134125.3 Ų125.382%0.82274%0.744SS**SBendtrans76.5113.3166.566.80000117.4
141D24.2Very low25.6Very low103 Ų103122.4 Ų122.455%0.55174%0.736SS**  trans51.982.1139.9-56.5-19.4000118.4Y143D141-Y143 HydrophobicContact CB-CE2 4.17Å; D141-Y143 PolarHBondContact O-N 2.76Å
142Q26.2Very low25.6Very low137 Ų137127.4 Ų127.464%0.6475%0.745SS**  trans-84102.2155.5-73.5-177.70.800109.4F144Q142-F144 HydrophobicContact CB-CD2 4.21Å; Q142-F144 HydrophobicContact CB-CE2 3.76Å; Q142-F144 WeakPolarHBondContact O-CD2 3.28Å; Q142-F144 PolarHBondContact O-N 3.31Å
143Y23.9Very low25.5Very low206 Ų206130.4 Ų130.481%0.80875%0.745SS**  trans-64.2101.1167-68.8-89.2000109.5D141D141-Y143 HydrophobicContact CB-CE2 4.17Å; D141-Y143 PolarHBondContact O-N 2.76Å
144F25Very low25.5Very low158 Ų158124.9 Ų124.969%0.69375%0.747SS**  trans-84.8108.4165.9-75.1-86.8000108.8Q142 C146Q142-F144 HydrophobicContact CB-CD2 4.21Å; Q142-F144 HydrophobicContact CB-CE2 3.76Å; Q142-F144 WeakPolarHBondContact O-CD2 3.28Å; Q142-F144 PolarHBondContact O-N 3.31Å; F144-C146 PolarHBondContact O-N 2.95Å
145C23.7Very low25.3Very low136 Ų136129 Ų12992%0.91975%0.749SS**  trans-67.982.9159.2-87.20000108.7A147C145-A147 VanDerWaalsContact C-N 3.34Å; C145-A147 PolarHBondContact O-N 2.78Å; C145-A147 VanDerWaalsContact O-N 3.12Å
146C24.2Very low25.4Very low113 Ų113127.9 Ų127.976%0.76474%0.742SS**  trans-71.897.2157.4-72.70000107.1F144 D148F144-C146 PolarHBondContact O-N 2.95Å; C146-D148 VanDerWaalsContact C-N 3.28Å; C146-D148 PolarHBondContact O-N 2.7Å
147A25.2Very low25.2Very low71 Ų71125.7 Ų125.759%0.58773%0.73SS**  trans-64.895.6161.200000107.2C145 P149C145-A147 VanDerWaalsContact C-N 3.34Å; C145-A147 PolarHBondContact O-N 2.78Å; C145-A147 VanDerWaalsContact O-N 3.12Å; A147-P149 WeakPolarHBondContact O-CD 3.27Å
148D24.9Very low25.2Very low123 Ų123131 Ų13166%0.65874%0.736SS**  trans-66.1113.1175-167.1-7.2000109.3C146 N150C146-D148 VanDerWaalsContact C-N 3.28Å; C146-D148 PolarHBondContact O-N 2.7Å; D148-N150 PolarHBondContact O-N 3.22Å; D148-N150 PolarHBondContact OD1-N 3.22Å
149P27.5Very low25.3Very low89 Ų89130.2 Ų130.258%0.57873%0.731SS**THydrogen-bonded Turntrans-79.63.3-176.6-10.128.3000113.9A147A147-P149 WeakPolarHBondContact O-CD 3.27Å
150N27.7Very low25.3Very low142 Ų142132.8 Ų132.876%0.75974%0.737SS**THydrogen-bonded Turntrans-134.130.6-178.1-88.7-24.3000114.8D148 F152D148-N150 PolarHBondContact O-N 3.22Å; D148-N150 PolarHBondContact OD1-N 3.22Å; N150-F152 PolarHBondContact O-N 3.16Å
151G24.7Very low25.3Very low62 Ų62133.6 Ų133.664%0.63974%0.737SS**  trans-71.551.4176.600000115.7
152F24.5Very low25.5Very low207 Ų207136.2 Ų136.291%0.90875%0.75SS**  trans-110.766.8159.2-95.4-85.7000108.8N150N150-F152 PolarHBondContact O-N 3.16Å
153Y26.4Very low25.5Very low222 Ų222133.9 Ų133.987%0.87176%0.755SS**  trans-111.9122.6156.1-95.1-86.3000109.1
154G24.6Very low25.5Very low71 Ų71132.1 Ų132.173%0.73275%0.752SS**  trans-59.6134.4-173.600000112.7S156G154-S156 PolarHBondContact O-N 3.1Å; G154-S156 VanDerWaalsContact O-N 3.1Å
155Y24.1Very low25.6Very low204 Ų204134.7 Ų134.780%0.876%0.758SS**  trans-44.5108.2155.8-92.3-109.6000111.3
156S28.3Very low25.8Very low96 Ų96133 Ų13367%0.67175%0.745SS**  trans-109.8102.6138.956.10000107.1G154 E158G154-S156 PolarHBondContact O-N 3.1Å; G154-S156 VanDerWaalsContact O-N 3.1Å; S156-E158 PolarHBondContact O-N 3.34Å
157G23.9Very low25.8Very low60 Ų60134.5 Ų134.562%0.61975%0.746SS**  trans-67.9129.4178.200000110.7
158E25.9Very low25.9Very low181 Ų181136 Ų13685%0.84674%0.743SS**  trans-171.8123.8138.3-103.4165.8-156.700108.1S156S156-E158 PolarHBondContact O-N 3.34Å
159L28.4Very low26Very low152 Ų152138.8 Ų138.880%0.79675%0.752SS**  trans82.775.1160-53.2164000118
160C23.4Very low26.1Very low122 Ų122140.6 Ų140.682%0.82476%0.757SS**  trans-73.1121.6140.5-63.40000108.8
161N25.1Very low26.1Very low151 Ų151145.5 Ų145.581%0.80777%0.765SS**  trans-173.7131.4144.5-92.6-19.8000109
162N27.6Very low26.3Very low157 Ų157149.1 Ų149.184%0.8477%0.77SS**  trans91.589.3178.1-49.9-11.3000112.9
163A26.4Very low26.4Very low88 Ų88145.6 Ų145.673%0.72777%0.769SS**  76.7104.777.400000112.6
164F24.5Very low26.3Very low170 Ų170142.8 Ų142.875%0.74677%0.768SS**  trans22.1123.7143.8-64.6-92.4000118.5
165Y25.8Very low26.3Very low211 Ų211147.3 Ų147.383%0.82777%0.774SS**  -177.2152.298.3-100.5-86.2000110.3
166P28Very low26.4Very low100 Ų100143.3 Ų143.365%0.64977%0.771SS**  trans-104.2153.9-157.738.5-28.9000113.6
167N24.9Very low26.4Very low146 Ų146142.9 Ų142.978%0.78177%0.766SS**  trans-171.487155.3-99.6-33.9000110.6
168L28.1Very low26.5Very low102 Ų102148.5 Ų148.553%0.53477%0.77SS.*  trans-140.890.6163.7-96.8161.5000110.1N170 E316 A318L168-N170 PolarHBondContact O-N 3.36Å; L168-E316 HydrophobicContact CD1-CG 4.37Å; L168-A318 HydrophobicContact CD2-CB 4.19Å
169H26.5Very low26.6Very low182 Ų182144.1 Ų144.184%0.84377%0.765SS**  trans-69.7114.8156.3-80.3-56.7000108.8
170N29.6Very low26.8Very low126 Ų126141.2 Ų141.267%0.67476%0.755SS**  trans-148.4118.4155.4-127.5-20.2000112L168 N172L168-N170 PolarHBondContact O-N 3.36Å; N170-N172 VanDerWaalsContact C-N 3.28Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.11Å
171R28Very low27Very low245 Ų245140.9 Ų140.993%0.92575%0.754SS**SBendtrans-78.827.7-168.4-88-177.4164.5-179.2-4115.2
172N28.4Very low27.3Very low139 Ų139138.8 Ų138.874%0.74374%0.738SS**  trans-133.623.4-169.8-79.9-16.8000116.4N170 L174N170-N172 VanDerWaalsContact C-N 3.28Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.11Å; N172-L174 PolarHBondContact O-N 3.43Å
173C25.5Very low27.6Very low133 Ų133137 Ų13790%0.89974%0.735SS**  trans-75.393.6171.4-79.40000111
174L25.9Very low28Very low162 Ų162142.2 Ų142.285%0.84874%0.736SS**  trans-63.5132.8165.1-79.2157.6000109.9N172 T176N172-L174 PolarHBondContact O-N 3.43Å; L174-T176 PolarHBondContact O-N 2.94Å
175I24.9Very low28.4Very low167 Ų167139.7 Ų139.786%0.85673%0.728SS**  trans-60.2112.6176.3-62.7164.5000109.3
176T25.2Very low28.9Very low120 Ų120139 Ų13974%0.73672%0.724SS**  trans-80.9129.1164.8100000109.2L174L174-T176 PolarHBondContact O-N 2.94Å
177P28.5Very low29.4Very low87 Ų87139.4 Ų139.457%0.56573%0.726SS**  trans-68.8136.3-177.726.6-31.5000111.1A179 F194P177-A179 PolarHBondContact O-N 3.37Å; P177-F194 HydrophobicContact CB-CE1 4.45Å
178Y26.9Very low30.3Very low177 Ų177136 Ų13669%0.69472%0.718SS**  trans-50.8116167.4-83.6-101.3000110.2P180Y178-P180 WeakPolarHBondContact O-CD 3.47Å
179A27.3Very low30.9Very low90 Ų90136.7 Ų136.774%0.74472%0.722SS**  trans-92.6112.8164.100000108.3P177 S181P177-A179 PolarHBondContact O-N 3.37Å; A179-S181 PolarHBondContact O-N 2.86Å
180P31.7Very low31.5Very low90 Ų90134.3 Ų134.358%0.58471%0.706SS**  trans-73.3126.5168.9-521.4000109.1Y178 F182Y178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-F182 HydrophobicContact CB-CD2 3.84Å; P180-F182 HydrophobicContact CB-CE2 4.19Å; P180-F182 PolarHBondContact O-N 3.48Å
181S28.4Very low31.9Very low115 Ų115134.8 Ų134.880%0.80470%0.704SS**  trans-7346.5-176.135.60000114.4A179 P183A179-S181 PolarHBondContact O-N 2.86Å; S181-P183 WeakPolarHBondContact O-CD 3.48Å
182F30.3Very low32.3Very low108 Ų108126.5 Ų126.547%0.47469%0.688SS.*  trans-109.4108.3179.8-63.9-65.9000112.4P180 W184 M185P180-F182 HydrophobicContact CB-CD2 3.84Å; P180-F182 HydrophobicContact CB-CE2 4.19Å; P180-F182 PolarHBondContact O-N 3.48Å; F182-W184 HydrophobicContact CB-CZ2 4.37Å; F182-W184 AromaticContact CD1-CH2 3.69Å; F182-W184 HydrophobicContact CD1-CH2 3.69Å; F182-W184 AromaticContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CE1-CH2 4.28Å; F182-W184 AromaticContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CG-CZ2 4.19Å; F182-W184 PolarHBondContact O-N 3.45Å; F182-W184 VanDerWaalsContact O-N 3.17Å; F182-M185 HydrophobicContact CB-CE 4.01Å; F182-M185 HydrophobicContact CD2-CE 4.09Å; F182-M185 HydrophobicContact CG-CE 4.44Å
183P34.4Very low32.6Very low120 Ų120124 Ų12478%0.77968%0.678SS**THydrogen-bonded Turntrans-73.91.3-175.526.6-32.4000115.7S181S181-P183 WeakPolarHBondContact O-CD 3.48Å
184W34.7Very low32.9Very low197 Ų197122 Ų12275%0.74665%0.654SS**THydrogen-bonded Turntrans-112.12-175.75576.7000115.4F182F182-W184 HydrophobicContact CB-CZ2 4.37Å; F182-W184 AromaticContact CD1-CH2 3.69Å; F182-W184 HydrophobicContact CD1-CH2 3.69Å; F182-W184 AromaticContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CE1-CH2 4.28Å; F182-W184 AromaticContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CG-CZ2 4.19Å; F182-W184 PolarHBondContact O-N 3.45Å; F182-W184 VanDerWaalsContact O-N 3.17Å
185M32.8Very low33.5Very low117 Ų117117 Ų11758%0.57663%0.633SS**SBendtrans-88.5132.2174.2-96-172.8-70.200111.5F182F182-M185 HydrophobicContact CB-CE 4.01Å; F182-M185 HydrophobicContact CD2-CE 4.09Å; F182-M185 HydrophobicContact CG-CE 4.44Å
186R36.7Very low34.1Very low197 Ų197114 Ų11474%0.74362%0.619SS**  trans-72.8136.9175.8-71.6-176-175.7177.62.2110A188 D189R186-A188 PolarHBondContact O-N 2.9Å; R186-A188 VanDerWaalsContact O-N 3.1Å; R186-D189 PolarHBondContact O-N 3.28Å
187P38.7Very low34.7Very low107 Ų107111.2 Ų111.270%0.69560%0.604SS**G310 helixtrans-55.4-27.7177.1-27.834.5000115D189 W190P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.86Å; P187-W190 PolarHBondContact O-N 3.48Å
188A43.2Very low35.1Very low75 Ų75116 Ų11662%0.6261%0.611SS**G310 helixtrans-64.2-29.3-179.200000113.4R186 W190R186-A188 PolarHBondContact O-N 2.9Å; R186-A188 VanDerWaalsContact O-N 3.1Å; A188-W190 VanDerWaalsContact C-N 3.25Å; A188-W190 PolarHBondContact O-N 3.34Å
189D41.7Very low35.8Very low116 Ų116112.4 Ų112.462%0.6260%0.603SS**G310 helixtrans-76.1-14-176.2-58.5-35.3000112.5R186 P187R186-D189 PolarHBondContact O-N 3.28Å; P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.86Å
190W38.1Very low36.5Very low133 Ų133114.2 Ų114.250%0.50460%0.596SS.*G310 helixtrans-86.2-23.6-179106.3-52.1000113.7P187 A188 A192 T193 F194P187-W190 PolarHBondContact O-N 3.48Å; A188-W190 VanDerWaalsContact C-N 3.25Å; A188-W190 PolarHBondContact O-N 3.34Å; W190-A192 PolarHBondContact O-N 2.97Å; W190-T193 PolarHBondContact O-N 3.31Å; W190-F194 AromaticContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CE2 4.33Å; W190-F194 AromaticContact CE3-CD2 3.3Å; W190-F194 HydrophobicContact CE3-CD2 3.3Å; W190-F194 AromaticContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CG 4.02Å; W190-F194 HydrophobicContact CE3-CZ 4.05Å; W190-F194 HydrophobicContact CH2-CG 4.45Å; W190-F194 HydrophobicContact CZ3-CD1 4.18Å; W190-F194 AromaticContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CE1 4.14Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 AromaticContact CZ3-CG 3.93Å; W190-F194 HydrophobicContact CZ3-CG 3.93Å; W190-F194 AromaticContact CZ3-CZ 3.85Å; W190-F194 HydrophobicContact CZ3-CZ 3.85Å
191Q37.8Very low36.8Very low135 Ų135112.9 Ų112.963%0.63159%0.592SS**Hα-helixtrans-76.8-28.3-156-135.8172.812.500113.2S195Q191-S195 PolarHBondContact O-OG 2.8Å
192A36.2Very low37.5Very low72 Ų72111.8 Ų111.860%0.59558%0.577SS**Hα-helixtrans-75.2-27.317800000113.1W190 S195W190-A192 PolarHBondContact O-N 2.97Å; A192-S195 PolarHBondContact O-OG 2.87Å
193T35.2Very low38.3Very low86 Ų86114.8 Ų114.853%0.52859%0.586SS.*Hα-helixtrans-86.2-29.4-173.9-21.90000112.8W190 S197W190-T193 PolarHBondContact O-N 3.31Å; T193-S197 PolarHBondContact O-OG 2.94Å; T193-S197 VanDerWaalsContact O-OG 3.14Å
194F33.1Very low39Very low91 Ų91114.2 Ų114.240%0.39958%0.576SS.*Hα-helixtrans-85.9-22.9-179.2-87.9-85.8000114.2P177 W190 S197 R198P177-F194 HydrophobicContact CB-CE1 4.45Å; W190-F194 AromaticContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CE2 4.33Å; W190-F194 AromaticContact CE3-CD2 3.3Å; W190-F194 HydrophobicContact CE3-CD2 3.3Å; W190-F194 AromaticContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CG 4.02Å; W190-F194 HydrophobicContact CE3-CZ 4.05Å; W190-F194 HydrophobicContact CH2-CG 4.45Å; W190-F194 HydrophobicContact CZ3-CD1 4.18Å; W190-F194 AromaticContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CE1 4.14Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 AromaticContact CZ3-CG 3.93Å; W190-F194 HydrophobicContact CZ3-CG 3.93Å; W190-F194 AromaticContact CZ3-CZ 3.85Å; W190-F194 HydrophobicContact CZ3-CZ 3.85Å; F194-S197 PolarHBondContact O-OG 3.49Å; F194-R198 WeakPolarHBondContact O-CB 3.4Å; F194-R198 PolarHBondContact O-N 3.42Å
195S37.1Very low39.4Very low56 Ų56112.2 Ų112.239%0.39257%0.569SS.*Hα-helixtrans-73.6-40179.436.70000111.8Q191 A192 I199Q191-S195 PolarHBondContact O-OG 2.8Å; A192-S195 PolarHBondContact O-OG 2.87Å; S195-I199 WeakPolarHBondContact O-CD1 3.32Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.92Å
196N37.2Very low40.1Very low106 Ų106112.5 Ų112.557%0.56757%0.569SS**Hα-helixtrans-71.2-43.8179.5-72.1-21.8000113.2R198 I199 E200N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.49Å; N196-I199 PolarHBondContact O-N 3.26Å; N196-E200 PolarHBondContact O-N 3.39Å
197S39.5Very low40.9Very low61 Ų61109.5 Ų109.543%0.42756%0.563SS.*Hα-helixtrans-66-32.8-179.750.30000113.2T193 F194 A201T193-S197 PolarHBondContact O-OG 2.94Å; T193-S197 VanDerWaalsContact O-OG 3.14Å; F194-S197 PolarHBondContact O-OG 3.49Å; S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 2.91Å
198R35.8Very low41.3Very low187 Ų187111.8 Ų111.871%0.70656%0.563SS**Hα-helixtrans-72.9-33.3176.4-170.4174.6166.8169.7-4.1112.9F194 N196 N202F194-R198 WeakPolarHBondContact O-CB 3.4Å; F194-R198 PolarHBondContact O-N 3.42Å; N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.49Å; R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.18Å; R198-N202 PolarHBondContact O-ND2 3.46Å
199I41Very low41.5Very low102 Ų102118 Ų11852%0.52357%0.57SS.*Hα-helixtrans-72.9-40.1176.4-66.4169.2000110.3S195 N196 R203S195-I199 WeakPolarHBondContact O-CD1 3.32Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact O-N 3.26Å; I199-R203 PolarHBondContact O-N 3.31Å
200E42.5Very low42.1Very low127 Ų127119.9 Ų119.959%0.59358%0.575SS**Hα-helixtrans-69.9-42.5177-77.7178.216300113.1N196 N202 R203 N204N196-E200 PolarHBondContact O-N 3.39Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 2.83Å; E200-R203 PolarHBondContact O-N 2.85Å; E200-N204 PolarHBondContact O-N 3.33Å
201A37.7Very low42.6Very low62 Ų62116.4 Ų116.451%0.51257%0.571SS.*Hα-helixtrans-61.8-39176.400000112.1S197 Y205S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 2.91Å; A201-Y205 WeakPolarHBondContact O-CB 3.45Å; A201-Y205 PolarHBondContact O-N 3.49Å
202N42.9Very low42.5Very low92 Ų92113.6 Ų113.649%0.49258%0.579SS.*Hα-helixtrans-70.3-35.5175.2-89.7-32.2000112.9R198 E200 Q206R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.18Å; R198-N202 PolarHBondContact O-ND2 3.46Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 2.83Å; N202-Q206 PolarHBondContact O-N 3.2Å
203R48.1Very low42.5Very low172 Ų172117.9 Ų117.965%0.64959%0.586SS**Hα-helixtrans-64-45.4173.4-96.7-177.5171.2165.6-1.6112I199 E200 Q206 H207I199-R203 PolarHBondContact O-N 3.31Å; E200-R203 PolarHBondContact O-N 2.85Å; R203-Q206 PolarHBondContact O-N 3.38Å; R203-H207 PolarHBondContact O-N 3Å
204N48.9Very low42.5Very low108 Ų108120.3 Ų120.358%0.57860%0.601SS**Hα-helixtrans-66.7-37.4178.4-76.3-15.3000112.1E200 H207 F208E200-N204 PolarHBondContact O-N 3.33Å; N204-H207 PolarHBondContact O-N 3.34Å; N204-F208 PolarHBondContact O-N 2.88Å
205Y43.7Very low42.6Very low154 Ų154120.4 Ų120.460%0.60461%0.611SS**Hα-helixtrans-66.5-39.6174.7-172.5-99.7000112.5A201 F208 R209A201-Y205 WeakPolarHBondContact O-CB 3.45Å; A201-Y205 PolarHBondContact O-N 3.49Å; Y205-F208 PolarHBondContact O-N 2.72Å; Y205-R209 WeakPolarHBondContact O-CB 3.46Å; Y205-R209 PolarHBondContact O-N 3.34Å
206Q47.1Very low42.3Very low123 Ų123123.3 Ų123.358%0.57563%0.631SS**Hα-helixtrans-64.3-42.7172.9-81.1-175.3-18.900111.8N202 R203 F208 R209 E210N202-Q206 PolarHBondContact O-N 3.2Å; R203-Q206 PolarHBondContact O-N 3.38Å; Q206-F208 PolarHBondContact O-N 2.91Å; Q206-R209 PolarHBondContact O-N 3.4Å; Q206-E210 WeakPolarHBondContact O-CG 3.36Å; Q206-E210 PolarHBondContact O-N 2.92Å
207H52.6Low41.9Very low134 Ų134122.2 Ų122.262%0.6264%0.637SS**Hα-helixtrans-62.6-38.5176.2-112.5-68.9000113.2R203 N204 S211R203-H207 PolarHBondContact O-N 3Å; N204-H207 PolarHBondContact O-N 3.34Å; H207-S211 WeakPolarHBondContact O-CB 3.33Å; H207-S211 PolarHBondContact O-N 2.96Å; H207-S211 VanDerWaalsContact O-N 3.11Å; H207-S211 PolarHBondContact O-OG 2.89Å
208F48.9Very low41.2Very low155 Ų155126 Ų12668%0.6865%0.652SS**Hα-helixtrans-70.1-33.5175.3-104.8-81.2000112.7N204 Y205 Q206N204-F208 PolarHBondContact O-N 2.88Å; Y205-F208 PolarHBondContact O-N 2.72Å; Q206-F208 PolarHBondContact O-N 2.91Å
209R46.1Very low40.9Very low205 Ų205125.2 Ų125.277%0.77466%0.661SS**Hα-helixtrans-74.4-29177.8-154.5-177.7-178.5-160.4-0.2112.5Y205 Q206Y205-R209 WeakPolarHBondContact O-CB 3.46Å; Y205-R209 PolarHBondContact O-N 3.34Å; Q206-R209 PolarHBondContact O-N 3.4Å
210E53.7Low40.1Very low157 Ų157125.6 Ų125.673%0.73467%0.673SS**Hα-helixtrans-85.9-24.1178.7-72177.3-179.400113.7Q206Q206-E210 WeakPolarHBondContact O-CG 3.36Å; Q206-E210 PolarHBondContact O-N 2.92Å
211S49.6Very low39.4Very low60 Ų60124.2 Ų124.242%0.4268%0.677SS.*Hα-helixtrans-86.9-13.8-172.550.90000116H207 Q213H207-S211 WeakPolarHBondContact O-CB 3.33Å; H207-S211 PolarHBondContact O-N 2.96Å; H207-S211 VanDerWaalsContact O-N 3.11Å; H207-S211 PolarHBondContact O-OG 2.89Å; S211-Q213 WeakPolarHBondContact O-CG 3.47Å; S211-Q213 PolarHBondContact O-N 2.91Å
212G35.2Very low38.9Very low76 Ų76128 Ų12878%0.78469%0.693SS**  trans56.510.8168.200000117.4
213Q37.6Very low38.2Very low162 Ų162129.3 Ų129.376%0.75771%0.707SS**  trans-112.2122.8-172.7-78.7-179.4-2.600112.1S211S211-Q213 WeakPolarHBondContact O-CG 3.47Å; S211-Q213 PolarHBondContact O-N 2.91Å
214T33.8Very low37Very low136 Ų136129.8 Ų129.883%0.83472%0.717SS**  trans-90.8122.5165.543.90000110
215P35.6Very low35.9Very low94 Ų94133.1 Ų133.161%0.6173%0.733SS**  trans-87.3133.2174.1-0.519.1000111.9W133W133-P215 HydrophobicContact CH2-CB 4.38Å; W133-P215 HydrophobicContact CZ2-CB 4.42Å; W133-P215 HydrophobicContact CZ2-CG 4.29Å
216S31.5Very low35Very low117 Ų117133 Ų13382%0.81874%0.743SS**  trans-104.5150170.4-83.60000111.6
217A27.3Very low34Very low83 Ų83131.6 Ų131.669%0.68675%0.753SS**  trans98.5139148.600000121.7
218D25.8Very low32.6Very low141 Ų141132 Ų13275%0.75477%0.765SS**  trans76.295.5156.5-73.8-13.6000121.8
219L28.2Very low31.5Very low170 Ų170132.1 Ų132.189%0.8977%0.772SS**  trans-138.182.1152.4-73176.7000110.7
220S25.3Very low30.7Very low110 Ų110128.3 Ų128.377%0.76977%0.774SS**  trans-97.362.1171.547.50000110.9
221S27.1Very low29.4Very low98 Ų98128.1 Ų128.169%0.68578%0.778SS**  trans-171.766.3175.160.10000115.7
222V27.6Very low28.4Very low140 Ų140133.4 Ų133.485%0.84880%0.796SS**  trans-147.5137.6158.2-171.10000110.2
223P28.2Very low28Very low120 Ų120141.3 Ų141.378%0.77980%0.802SS**  trans-76.7145-159.9-11.928.8000115.1
224Q23.3Very low27.6Very low183 Ų183138.2 Ų138.286%0.85579%0.794SS**  trans-64.6130.5171.1-71.8173.9-37.800112.1
225L26.7Very low27.3Very low177 Ų177136.2 Ų136.293%0.92779%0.791SS**  trans-113115.4158-96.4159.1000107.9A227L225-A227 PolarHBondContact O-N 2.98Å
226N24.9Very low27Very low151 Ų151138.3 Ų138.381%0.80779%0.793SS**  trans-60.5121.7-174.7-79.9-28.5000112.6
227A24.5Very low26.9Very low95 Ų95139.6 Ų139.679%0.78579%0.79SS**  trans-91.3111.5157.100000108.6L225 L229L225-A227 PolarHBondContact O-N 2.98Å; A227-L229 PolarHBondContact O-N 3.27Å
228T24.7Very low27.1Very low141 Ų141145.8 Ų145.887%0.86580%0.797SS**  trans-68.8111.5166.521.80000109.8
229L24.9Very low27.4Very low158 Ų158146.3 Ų146.383%0.82780%0.8SS**  trans-72138.1165.3-83.1144000110.5A227A227-L229 PolarHBondContact O-N 3.27Å
230P28.4Very low27.6Very low125 Ų125144.1 Ų144.181%0.81279%0.794SS**  trans-87.9104.2150.627.9-16.2000108.4E232P230-E232 PolarHBondContact O-N 3.48Å
231D28.3Very low28.1Very low153 Ų153143.4 Ų143.482%0.81880%0.795SS**  trans-81.999.2165.7-149.11.9000106.6
232E28.6Very low28.4Very low171 Ų171144.1 Ų144.180%0.79980%0.797SS**  trans-143.3106.8167.8-128.7178.8-168.600109.8P230 V234P230-E232 PolarHBondContact O-N 3.48Å; E232-V234 PolarHBondContact O-N 3.36Å; E232-V234 VanDerWaalsContact O-N 3.07Å
233R25.9Very low28.9Very low243 Ų243147.5 Ų147.592%0.91780%0.8SS**  trans-68.698.3172-69.8-178.5178.5-164.4-1108.9A235R233-A235 PolarHBondContact O-N 2.95Å
234V28.6Very low29Very low97 Ų97148.4 Ų148.459%0.58880%0.798SS**  trans-83.597165.1-1760000108.1E232 H236E232-V234 PolarHBondContact O-N 3.36Å; E232-V234 VanDerWaalsContact O-N 3.07Å; V234-H236 PolarHBondContact O-N 2.84Å
235A27.8Very low29.4Very low93 Ų93144.3 Ų144.377%0.76979%0.787SS**  trans-65.611516100000107.9R233R233-A235 PolarHBondContact O-N 2.95Å
236H29.5Very low29.6Very low139 Ų139144.8 Ų144.864%0.64479%0.788SS**  trans-90103.8168-78.7-62.8000108.6V234 Y238V234-H236 PolarHBondContact O-N 2.84Å; H236-Y238 HydrophobicContact CB-CD2 4.5Å; H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 VanDerWaalsContact O-CD2 3.31Å; H236-Y238 WeakPolarHBondContact O-CD2 3.38Å; H236-Y238 PolarHBondContact O-N 3.47Å
237D30.6Very low29.8Very low144 Ų144141.1 Ų141.177%0.7779%0.786SS**  trans-59.4114.6162.6-90.9-27.5000108.9D239D237-D239 VanDerWaalsContact C-N 3.31Å
238Y30.5Very low29.9Very low212 Ų212145.7 Ų145.783%0.83179%0.785SS**  trans-88.611175.5-82.6-82.1000113.5H236H236-Y238 HydrophobicContact CB-CD2 4.5Å; H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 VanDerWaalsContact O-CD2 3.31Å; H236-Y238 WeakPolarHBondContact O-CD2 3.38Å; H236-Y238 PolarHBondContact O-N 3.47Å
239D31.2Very low30Very low153 Ų153143.7 Ų143.782%0.81878%0.777SS**  trans-99.720.2-169.9-79.1-23000116.3D237D237-D239 VanDerWaalsContact C-N 3.31Å
240T33.1Very low30.1Very low123 Ų123143 Ų14376%0.75578%0.779SS**  trans-120.1109.5173.132.40000112.9P242T240-P242 WeakPolarHBondContact O-CD 3.32Å
241A35.7Very low30.1Very low95 Ų95144.1 Ų144.179%0.78578%0.776SS**  trans-58.8121.1172.800000110.8K243A241-K243 PolarHBondContact O-N 2.99Å
242P33.8Very low30.1Very low113 Ų113142 Ų14273%0.73477%0.773SS**  trans-68.7121.1176.724.7-29.9000110.1T240 L244T240-P242 WeakPolarHBondContact O-CD 3.32Å; P242-L244 PolarHBondContact O-N 2.83Å
243K37.2Very low30.1Very low212 Ų212140.2 Ų140.292%0.92278%0.775SS**  trans-63.5102.3170.8-72.1176178.7173.40109.3A241A241-K243 PolarHBondContact O-N 2.99Å
244L31.1Very low30.2Very low138 Ų138134.8 Ų134.872%0.72377%0.768SS**PPolyproline II helixtrans-76.9146.5172.3-77.5163.8000111.1P242P242-L244 PolarHBondContact O-N 2.83Å
245P31Very low30.2Very low97 Ų97134.9 Ų134.963%0.6377%0.774SS**PPolyproline II helixtrans-60.2145.3179.7-18.730.1000112.9G247P245-G247 PolarHBondContact O-N 2.91Å
246I31.5Very low30.3Very low187 Ų187136.6 Ų136.696%0.95978%0.777SS**THydrogen-bonded Turntrans-52.7119.2177.1-59.2165.5000109.6
247G28.9Very low30.3Very low74 Ų74135 Ų13576%0.76377%0.771SS**THydrogen-bonded Turntrans146-11.9177.800000115.7P245P245-G247 PolarHBondContact O-N 2.91Å
248Y26.1Very low30.3Very low192 Ų192131.4 Ų131.475%0.75376%0.757SS**  trans-101.4116.2179.1-71.1-86.5000111.7
249S26.6Very low30.3Very low99 Ų99131.8 Ų131.869%0.69276%0.757SS**  trans-72.5126.4175.8175.10000111.2I251S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.01Å
250T28Very low30.4Very low142 Ų142131.9 Ų131.987%0.87175%0.752SS**  trans-91.149.4179.851.10000112.6
251I28.4Very low30.4Very low149 Ų149128.8 Ų128.876%0.76474%0.735SS**  trans-125.981.8179.4-46.5173.8000110S249S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.01Å
252S28.9Very low30.2Very low108 Ų108126.5 Ų126.576%0.75572%0.716SS**  trans-174.6105.6146.9-176.70000109.3T254S252-T254 PolarHBondContact O-N 3.19Å
253T27.1Very low30.1Very low135 Ų135123.6 Ų123.683%0.82870%0.701SS**  trans-73.3104.4173.745.70000110.4
254T29.5Very low29.9Very low128 Ų128119.2 Ų119.279%0.78569%0.687SS**  trans-174.1114.2146.438.60000109.1S252S252-T254 PolarHBondContact O-N 3.19Å
255S27.2Very low30.1Very low100 Ų100118 Ų11870%0.69968%0.678SS**  trans19.9131.2161.2-169.40000119.3M257S255-M257 PolarHBondContact O-N 3.48Å
256P30.8Very low30.2Very low129 Ų129117.7 Ų117.784%0.83868%0.678SS**  trans-60.8102.6173.327.5-32.7000110.2C258P256-C258 PolarHBondContact O-N 3.45Å
257M29.5Very low30.4Very low105 Ų105114 Ų11452%0.51767%0.667SS.*  trans-65.9132.4170.8-73.9-168-58.400109.3S255 C261S255-M257 PolarHBondContact O-N 3.48Å; M257-C261 HydrophobicContact CB-CB 4.2Å; M257-C261 HydrophobicContact SD-CB 4.42Å
258C30.5Very low30.7Very low69 Ų69115.5 Ų115.547%0.46666%0.662SS.*  trans-62.5153.6174.676.90000110.9P256 Q260 C261 A262P256-C258 PolarHBondContact O-N 3.45Å; C258-Q260 PolarHBondContact O-N 3.33Å; C258-C261 PolarHBondContact O-N 2.99Å; C258-C261 VanDerWaalsContact SG-SG 3.61Å; C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.13Å
259R29.6Very low31Very low220 Ų220117.4 Ų117.483%0.8367%0.668SS**Hα-helixtrans-51.9-27.5-178.8-105.5179.7170.1178.2-3114.1A263R259-A263 PolarHBondContact O-N 3.26Å
260Q33.2Very low31.3Very low154 Ų154121.3 Ų121.372%0.7267%0.673SS**Hα-helixtrans-76.7-32177.1-73.1166.7-16.700112.9C258 L264C258-Q260 PolarHBondContact O-N 3.33Å; Q260-L264 PolarHBondContact O-N 3.26Å
261C34.2Very low31.7Very low58 Ų58120.6 Ų120.639%0.39267%0.67SS.*Hα-helixtrans-75.4-31171.9-67.60000112.2M257 C258 L264 Q265M257-C261 HydrophobicContact CB-CB 4.2Å; M257-C261 HydrophobicContact SD-CB 4.42Å; C258-C261 PolarHBondContact O-N 2.99Å; C258-C261 VanDerWaalsContact SG-SG 3.61Å; C261-L264 PolarHBondContact O-N 2.87Å; C261-Q265 PolarHBondContact O-N 3.13Å
262A31.1Very low31.6Very low47 Ų47124 Ų12439%0.38868%0.675SS.*Hα-helixtrans-65.7-37.8171.600000112.2C258 Q265 S266C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.13Å; A262-Q265 PolarHBondContact O-N 3.48Å; A262-S266 PolarHBondContact O-N 3.49Å; A262-S266 VanDerWaalsContact O-N 3.09Å; A262-S266 PolarHBondContact O-OG 3.38Å
263A32.2Very low31.9Very low52 Ų52124.3 Ų124.343%0.4367%0.674SS.*Hα-helixtrans-66.4-34.717600000113R259 S266R259-A263 PolarHBondContact O-N 3.26Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-N 3.19Å; A263-S266 PolarHBondContact O-OG 3.26Å
264L32.8Very low32.3Very low121 Ų121122.7 Ų122.763%0.63467%0.669SS**Hα-helixtrans-74.4-29175.6-75.5163.7000113.1Q260 C261 T268Q260-L264 PolarHBondContact O-N 3.26Å; C261-L264 PolarHBondContact O-N 2.87Å; L264-T268 PolarHBondContact O-OG1 3.47Å
265Q34.6Very low32.5Very low112 Ų112124.6 Ų124.652%0.52367%0.671SS.*Hα-helixtrans-75.3-29.2171.1-80.7-164-3.300113.4C261 A262 C267 T268C261-Q265 PolarHBondContact O-N 3.13Å; A262-Q265 PolarHBondContact O-N 3.48Å; Q265-C267 PolarHBondContact O-N 2.86Å; Q265-T268 WeakPolarHBondContact CA-OG1 3.36Å; Q265-T268 PolarHBondContact O-N 3.2Å; Q265-T268 PolarHBondContact O-OG1 3.47Å
266S34.3Very low32.9Very low90 Ų90127 Ų12763%0.62968%0.676SS**Hα-helixtrans-69.4-17.9174.151.10000113.9A262 A263A262-S266 PolarHBondContact O-N 3.49Å; A262-S266 VanDerWaalsContact O-N 3.09Å; A262-S266 PolarHBondContact O-OG 3.38Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-N 3.19Å; A263-S266 PolarHBondContact O-OG 3.26Å
267C34.1Very low33.1Very low109 Ų109124.2 Ų124.274%0.73667%0.671SS**THydrogen-bonded Turntrans-92-6.3176.4-68.60000114.2Q265Q265-C267 PolarHBondContact O-N 2.86Å
268T35.8Very low33.4Very low106 Ų106130.9 Ų130.965%0.6569%0.69SS**SBendtrans-109.17.2-174.742.30000114.3L264 Q265 K270L264-T268 PolarHBondContact O-OG1 3.47Å; Q265-T268 WeakPolarHBondContact CA-OG1 3.36Å; Q265-T268 PolarHBondContact O-N 3.2Å; Q265-T268 PolarHBondContact O-OG1 3.47Å; T268-K270 PolarHBondContact O-N 3.45Å
269R33.1Very low33.6Very low233 Ų233136.2 Ų136.288%0.87971%0.706SS**  trans-97.768.2172.1-78.1-172.7174.2-179.1-0.3112.5
270K32.1Very low34.3Very low181 Ų181134.2 Ų134.279%0.78771%0.706SS**SBendtrans-134125.3144.7-74.4-173.2-178.9176.40107.3T268 Y272T268-K270 PolarHBondContact O-N 3.45Å; K270-Y272 PolarHBondContact O-N 2.96Å
271P36.6Very low34.9Very low127 Ų127130.6 Ų130.683%0.82570%0.697SS**PPolyproline II helixtrans-62125.4178.526.4-30.5000108.1
272Y26.4Very low35.4Very low219 Ų219135.6 Ų135.686%0.85972%0.715SS**PPolyproline II helixtrans-52.9128169.4-87.9-96.4000108.9K270 S274K270-Y272 PolarHBondContact O-N 2.96Å; Y272-S274 PolarHBondContact O-N 3.45Å
273P34.9Very low35.9Very low115 Ų115136.6 Ų136.675%0.74772%0.723SS**PPolyproline II helixtrans-64.6132.3159.925-23.9000107.6
274S35.4Very low36.7Very low102 Ų102137.6 Ų137.671%0.71372%0.724SS**PPolyproline II helixtrans-57.9146.6-175.167.20000111.9Y272 D276Y272-S274 PolarHBondContact O-N 3.45Å; S274-D276 PolarHBondContact O-N 3Å
275M33.6Very low37.4Very low168 Ų168136.9 Ų136.983%0.82872%0.721SS**SBendtrans-73.332.7-175.3-81.5-85.6-74.600114.6
276D36.1Very low37.9Very low150 Ų150137 Ų13780%0.80272%0.724SS**  trans-122.497.2179.4-75.1-41.3000110.8S274S274-D276 PolarHBondContact O-N 3Å
277G34.5Very low38.6Very low71 Ų71138 Ų13873%0.73272%0.722SS**SBendtrans124.9122.516600000114.6
278R36.3Very low39.4Very low245 Ų245137.4 Ų137.493%0.92571%0.712SS**  trans8960.9175.5-50.8-177.1-167.9-164.32.9116.3
279K35.6Very low39.8Very low181 Ų181140.8 Ų140.879%0.78772%0.718SS**  trans-95148.7146.1-69.3179.7178.2176.40107.5
280E42.8Very low40.3Very low178 Ų178134 Ų13483%0.83270%0.698SS**SBendtrans107.6-13.3164.2-58.9179.5166.700121T284E280-T284 PolarHBondContact O-OG1 3.07Å
281S46.1Very low40.9Very low78 Ų78131.5 Ų131.555%0.54569%0.694SS.*SBendtrans-104.3-34.1178.462.60000116.1T284 D285S281-T284 PolarHBondContact O-OG1 3.32Å; S281-D285 PolarHBondContact O-N 3.33Å
282Q44.4Very low41.1Very low162 Ų162135.9 Ų135.976%0.75769%0.694SS**Hα-helixtrans-82.3-22.5-175.9-89.6-177.6-16.900114.9L286Q282-L286 PolarHBondContact O-N 3.49Å
283A41.6Very low41.4Very low69 Ų69133.9 Ų133.957%0.5769%0.692SS**Hα-helixtrans-78.9-32.1178.700000112.1L287A283-L287 WeakPolarHBondContact O-CB 3.39Å; A283-L287 WeakPolarHBondContact O-CD1 3.34Å; A283-L287 PolarHBondContact O-N 3.21Å; A283-L287 VanDerWaalsContact O-N 3.16Å
284T49.2Very low41.6Very low72 Ų72136.3 Ų136.344%0.44270%0.699SS.*Hα-helixtrans-77.4-35.4177.711.70000112.1E280 S281 L287 N288E280-T284 PolarHBondContact O-OG1 3.07Å; S281-T284 PolarHBondContact O-OG1 3.32Å; T284-L287 PolarHBondContact O-N 3.26Å; T284-N288 WeakPolarHBondContact O-CB 3.27Å; T284-N288 PolarHBondContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 3.17Å
285D48.8Very low41.5Very low106 Ų106143 Ų14357%0.56771%0.708SS**Hα-helixtrans-68.7-37.7173.5-76.4-20.4000112.2S281 N288 F289S281-D285 PolarHBondContact O-N 3.33Å; D285-N288 PolarHBondContact O-N 3.47Å; D285-F289 WeakPolarHBondContact O-CB 3.29Å; D285-F289 PolarHBondContact O-N 2.89Å
286L45.2Very low41.3Very low115 Ų115140.7 Ų140.760%0.60271%0.706SS**Hα-helixtrans-67.5-34172.8-101150.2000112.7Q282 L290Q282-L286 PolarHBondContact O-N 3.49Å; L286-L290 WeakPolarHBondContact O-CD1 3.33Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.32Å
287L47.9Very low41.1Very low112 Ų112140.1 Ų140.159%0.58671%0.708SS**Hα-helixtrans-73.9-34.6174.1-89.4156.6000112.6A283 T284 L290 N291A283-L287 WeakPolarHBondContact O-CB 3.39Å; A283-L287 WeakPolarHBondContact O-CD1 3.34Å; A283-L287 PolarHBondContact O-N 3.21Å; A283-L287 VanDerWaalsContact O-N 3.16Å; T284-L287 PolarHBondContact O-N 3.26Å; L287-L290 PolarHBondContact O-N 2.84Å; L287-N291 WeakPolarHBondContact O-CB 3.45Å; L287-N291 PolarHBondContact O-N 3.33Å
288N50.3Low41Very low96 Ų96144.9 Ų144.951%0.51371%0.714SS.*Hα-helixtrans-72.7-32.4174.9-79.3-24.3000112.7T284 D285 L290 N291T284-N288 WeakPolarHBondContact O-CB 3.27Å; T284-N288 PolarHBondContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 3.17Å; D285-N288 PolarHBondContact O-N 3.47Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.06Å; N288-N291 PolarHBondContact O-N 3.22Å
289F45.9Very low40.9Very low176 Ų176140.1 Ų140.177%0.77271%0.705SS**Hα-helixtrans-68.8-26.5175.4-147.5-90.4000112.7D285D285-F289 WeakPolarHBondContact O-CB 3.29Å; D285-F289 PolarHBondContact O-N 2.89Å
290L42.8Very low40.7Very low91 Ų91137 Ų13748%0.47670%0.703SS.*THydrogen-bonded Turntrans-89.8-8.1177.8-65.9161.7000113.6L286 L287 N288 R303L286-L290 WeakPolarHBondContact O-CD1 3.33Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.32Å; L287-L290 PolarHBondContact O-N 2.84Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.06Å; L290-R303 VanDerWaalsContact CD2-NH2 3.33Å
291N45.5Very low40.3Very low128 Ų128134.4 Ų134.468%0.68470%0.7SS**SBendtrans-107.3-0.3-175.6-113.1-13.6000114.3L287 N288 Q293L287-N291 WeakPolarHBondContact O-CB 3.45Å; L287-N291 PolarHBondContact O-N 3.33Å; N288-N291 PolarHBondContact O-N 3.22Å; N291-Q293 PolarHBondContact O-N 3.19Å
292R38.9Very low39.7Very low219 Ų219139.7 Ų139.783%0.82672%0.715SS**SBendtrans-92.790.2176.4-78.3-173172.9-173.1-1.2111.5
293Q33.8Very low39Very low178 Ų178141 Ų14183%0.83271%0.713SS**SBendtrans19.896.5140.6-63.7177.9-11.900117N291N291-Q293 PolarHBondContact O-N 3.19Å
294D38.7Very low38.6Very low165 Ų165144.8 Ų144.888%0.88272%0.723SS**  trans176.563.7142-90-20.4000110.4
295R33.6Very low37.5Very low242 Ų242146.3 Ų146.391%0.91374%0.743SS**  trans-129.7127.5167.1-98.5-169.8178.6-167.9-1.2110.9
296P30Very low36.6Very low121 Ų121147.1 Ų147.179%0.78675%0.752SS**  trans-64.2137.9160.1-8.124.5000108.9
297T31.1Very low35.9Very low138 Ų138147.4 Ų147.485%0.84776%0.76SS**  trans-31.2121.8175.820.20000115.2
298M33.1Very low35Very low171 Ų171147.8 Ų147.884%0.84277%0.768SS**  trans-164103.5142.8-91.1-87.7-108.500109.5
299I34.1Very low33.9Very low145 Ų145153.2 Ų153.274%0.74478%0.782SS**  trans49.5129141.1-49.9177.8000119.6
300P31.1Very low33.6Very low116 Ų116149.6 Ų149.675%0.75378%0.776SS**  trans-87.2115-166.734.1-32.4000113.9
301T34.4Very low32.9Very low123 Ų123151.8 Ų151.876%0.75579%0.787SS**  trans-88.4115.1162.149.40000110.6R303T301-R303 PolarHBondContact O-N 3.46Å
302H33.9Very low32.1Very low189 Ų189151.7 Ų151.788%0.87580%0.795SS**  trans-56.1114.9170.3-90.2-92.2000111L304H302-L304 PolarHBondContact O-N 3.01Å
303R29.8Very low31.8Very low189 Ų189145.5 Ų145.571%0.71379%0.785SS**  trans-70.5116.5168.7-78.3-178.9169.2-167.41.1110.6L290 T301L290-R303 VanDerWaalsContact CD2-NH2 3.33Å; T301-R303 PolarHBondContact O-N 3.46Å
304L31.5Very low31.6Very low149 Ų149145.9 Ų145.978%0.7879%0.786SS**  trans-109.5110.9150.9-82.1167000107.7H302 V306H302-L304 PolarHBondContact O-N 3.01Å; L304-V306 PolarHBondContact O-N 3.39Å; L304-V306 VanDerWaalsContact O-N 3.14Å
305A26.7Very low31.6Very low103 Ų103144.2 Ų144.285%0.85178%0.781SS**  trans-66.6106170.900000108.9
306V29.2Very low31.6Very low124 Ų124139 Ų13975%0.75277%0.767SS**PPolyproline II helixtrans-91.7118.7169.6-179.80000107.6L304L304-V306 PolarHBondContact O-N 3.39Å; L304-V306 VanDerWaalsContact O-N 3.14Å
307P30.6Very low31.7Very low120 Ų120141.2 Ų141.278%0.77977%0.767SS**PPolyproline II helixtrans-68.1138.1177.326.9-30.8000110.5
308T29.8Very low31.7Very low121 Ų121138 Ų13874%0.74276%0.755SS**PPolyproline II helixtrans-74.5123.8-17722.20000112.6
309Y27.8Very low31.8Very low209 Ų209134.2 Ų134.282%0.8275%0.75SS**  trans80.2156.5151-76.5-70.7000121.3
310P38.8Very low31.9Very low100 Ų100133.8 Ų133.865%0.64975%0.75SS**  cis-136.5170.3-6.338.4-19.1000116.7
311I29.3Very low32.1Very low138 Ų138138 Ų13871%0.70876%0.759SS**  trans69.477.2163.1-36.2-178.1000116C313I311-C313 PolarHBondContact O-N 2.93Å
312C28.5Very low32.2Very low126 Ų126135.9 Ų135.985%0.85175%0.749SS**  trans-75.3105.7154.7-78.30000108.4H314C312-H314 PolarHBondContact O-N 3.24Å
313C32.2Very low32.4Very low89 Ų89129.4 Ų129.460%0.60173%0.725SS**  trans-53127.3163.1-61.20000108.9I311 V315I311-C313 PolarHBondContact O-N 2.93Å; C313-V315 PolarHBondContact O-N 3.49Å
314H29.8Very low33Very low186 Ų186130.5 Ų130.586%0.86173%0.729SS**  trans-52.6103.1162.2-109.3-85.9000107.9C312 E316C312-H314 PolarHBondContact O-N 3.24Å; H314-E316 PolarHBondContact O-N 3.49Å
315V37.3Very low33.7Very low130 Ų130133.1 Ų133.179%0.78873%0.73SS**  trans-88.496.9165.4-179.30000105.1C313 E317C313-V315 PolarHBondContact O-N 3.49Å; V315-E317 PolarHBondContact O-N 3.41Å
316E34.3Very low34.7Very low132 Ų132130.5 Ų130.562%0.61770%0.701SS**  trans-55123.9166.5-71.9179.915000109.1L168 H314 A318L168-E316 HydrophobicContact CD1-CG 4.37Å; H314-E316 PolarHBondContact O-N 3.49Å; E316-A318 PolarHBondContact O-N 3.18Å
317E32.6Very low35.9Very low167 Ų167125.7 Ų125.778%0.7867%0.673SS**THydrogen-bonded Turntrans-64.677.3172.7-75175.6144.900110V315V315-E317 PolarHBondContact O-N 3.41Å
318A31.9Very low36.8Very low72 Ų72125.2 Ų125.260%0.59567%0.67SS**THydrogen-bonded Turntrans-162.9-9.8168.100000117.3L168 E316L168-A318 HydrophobicContact CD2-CB 4.19Å; E316-A318 PolarHBondContact O-N 3.18Å
319A35.1Very low37.7Very low90 Ų90125.3 Ų125.374%0.74466%0.657SS**SBendtrans-113.4115.7-169.500000113.8
320N36.3Very low39Very low137 Ų137115.8 Ų115.873%0.73362%0.622SS**  trans-11.3119.7164.6-72.1-38000116.2S322N320-S322 VanDerWaalsContact C-N 3.33Å; N320-S322 PolarHBondContact O-N 3.43Å
321H34.9Very low40Very low203 Ų203113 Ų11394%0.9461%0.606SS**  trans-57.282.7177.6-48.9-63000112.8
322S36.7Very low41.4Very low79 Ų79111.3 Ų111.355%0.55260%0.596SS**  trans-101.3121.515757.90000107.5N320 R324N320-S322 VanDerWaalsContact C-N 3.33Å; N320-S322 PolarHBondContact O-N 3.43Å; S322-R324 PolarHBondContact O-N 3.32Å
323C36.5Very low43Very low54 Ų54108.7 Ų108.737%0.36557%0.57SS.*  trans-63.683178.6-1670000109.2Y325 L326C323-Y325 PolarHBondContact O-N 3.4Å; C323-Y325 PolarHBondContact SG-O 3.34Å; C323-L326 WeakPolarHBondContact O-CD2 3.17Å
324R44.4Very low44.3Very low211 Ų211109 Ų10980%0.79656%0.558SS**SBendtrans-68.9-15.1177.6-84.2-173175.1-174.7-1.1112.7S322S322-R324 PolarHBondContact O-N 3.32Å
325Y45.5Very low45.8Very low205 Ų205107 Ų10780%0.80455%0.549SS*.SBendtrans-110.878.5170.7-64.3-81.7000108.7C323 C327C323-Y325 PolarHBondContact O-N 3.4Å; C323-Y325 PolarHBondContact SG-O 3.34Å; Y325-C327 PolarHBondContact O-N 3.33Å
326L47.8Very low47Very low47 Ų47108 Ų10825%0.24654%0.539CS..  trans-60.6119-175.3-65.2155.6000109.6C323 C330 A331 R334 I356C323-L326 WeakPolarHBondContact O-CD2 3.17Å; L326-C330 HydrophobicContact CB-CB 4.01Å; L326-C330 HydrophobicContact CD2-CB 3.34Å; L326-C330 HydrophobicContact CG-CB 4.27Å; L326-A331 HydrophobicContact CB-CB 3.84Å; L326-R334 HydrophobicContact CD1-CB 4.3Å; L326-R334 VanDerWaalsContact CD1-CD 3.41Å; L326-I356 HydrophobicContact CD2-CD1 3.98Å
327C53Low48.2Very low23 Ų23105.5 Ų105.516%0.15553%0.527CS..  trans-57.4158.3162.7100.60000108.9Y325 Y329 C330 A331 C364 S366Y325-C327 PolarHBondContact O-N 3.33Å; C327-Y329 PolarHBondContact O-N 3.19Å; C327-C330 PolarHBondContact O-N 2.81Å; C327-A331 PolarHBondContact O-N 3.46Å; C327-C364 PolarHBondContact SG-SG 2.92Å; C327-S366 PolarHBondContact SG-OG 3.31Å; C327-S366 VanDerWaalsContact SG-OG 3.39Å
328P50.2Low49.5Very low111 Ų111101.7 Ų101.772%0.72151%0.512SS*.Hα-helixtrans-48.4-37.1-174.7-26.432.2000113.5A331 E332P328-A331 PolarHBondContact O-N 3.39Å; P328-E332 WeakPolarHBondContact O-CB 3.37Å; P328-E332 PolarHBondContact O-N 3.32Å
329Y48.3Very low50.7Low122 Ų122101 Ų10148%0.47850%0.503SS..Hα-helixtrans-66.1-46.8177.2-172.7-98.9000113.3C327 A331 E332 K333 C364C327-Y329 PolarHBondContact O-N 3.19Å; Y329-A331 VanDerWaalsContact C-N 3.31Å; Y329-E332 PolarHBondContact O-N 2.97Å; Y329-K333 PolarHBondContact O-N 3.04Å; Y329-C364 HydrophobicContact CD1-CB 4.4Å
330C55.6Low51.8Low10 Ų10102.5 Ų102.57%0.06850%0.498CS..Hα-helixtrans-70.8-31.5177.9-56.30000111.4L326 C327 R334 I356L326-C330 HydrophobicContact CB-CB 4.01Å; L326-C330 HydrophobicContact CD2-CB 3.34Å; L326-C330 HydrophobicContact CG-CB 4.27Å; C327-C330 PolarHBondContact O-N 2.81Å; C330-R334 WeakPolarHBondContact O-CB 3.19Å; C330-R334 PolarHBondContact O-N 2.99Å; C330-I356 HydrophobicContact CB-CD1 4.32Å
331A59.2Low52.6Low40 Ų40101 Ų10133%0.33149%0.487SS..Hα-helixtrans-66-44.2175.700000110.5L326 C327 P328 Y329 R334 H335L326-A331 HydrophobicContact CB-CB 3.84Å; C327-A331 PolarHBondContact O-N 3.46Å; P328-A331 PolarHBondContact O-N 3.39Å; Y329-A331 VanDerWaalsContact C-N 3.31Å; A331-R334 PolarHBondContact O-N 2.9Å; A331-H335 WeakPolarHBondContact O-CB 3.32Å; A331-H335 PolarHBondContact O-N 3.1Å
332E59.2Low53.4Low104 Ų104101.8 Ų101.849%0.48648%0.482SS..Hα-helixtrans-64.6-43.6176.3-163.1-176.315800111.9P328 Y329 R334 H335 R336P328-E332 WeakPolarHBondContact O-CB 3.37Å; P328-E332 PolarHBondContact O-N 3.32Å; Y329-E332 PolarHBondContact O-N 2.97Å; E332-R334 PolarHBondContact O-N 3.18Å; E332-H335 WeakPolarHBondContact O-CB 3.08Å; E332-H335 PolarHBondContact O-N 2.98Å; E332-R336 PolarHBondContact O-N 3.45Å; E332-R336 IonicContact OE1-CZ 3.78Å; E332-R336 IonicContact OE1-NE 3.41Å; E332-R336 IonicContact OE1-NH2 3.98Å; E332-R336 PolarHBondContact OE1-NH2 3.05Å
333K62.9Low54.2Low70 Ų70104.9 Ų104.930%0.30449%0.49SS..Hα-helixtrans-64.4-39178.4-144.4-175.9-173.9-169.90111.9Y329 H335 R336 Q337 D360Y329-K333 PolarHBondContact O-N 3.04Å; K333-H335 VanDerWaalsContact C-N 3.34Å; K333-R336 PolarHBondContact O-N 3.32Å; K333-Q337 PolarHBondContact O-N 3.1Å; K333-D360 IonicContact NZ-OD1 3.85Å; K333-D360 PolarHBondContact NZ-OD1 3.24Å; K333-D360 IonicContact NZ-OD2 3.78Å; K333-D360 PolarHBondContact NZ-OD2 3.42Å
334R58.8Low54.9Low96 Ų96113.4 Ų113.436%0.36252%0.515SS..Hα-helixtrans-67.2-35.4174.1-157.2178-158-171.59.8112.1L326 C330 A331 E332 R336 Q337 N338L326-R334 HydrophobicContact CD1-CB 4.3Å; L326-R334 VanDerWaalsContact CD1-CD 3.41Å; C330-R334 WeakPolarHBondContact O-CB 3.19Å; C330-R334 PolarHBondContact O-N 2.99Å; A331-R334 PolarHBondContact O-N 2.9Å; E332-R334 PolarHBondContact O-N 3.18Å; R334-R336 VanDerWaalsContact C-N 3.31Å; R334-Q337 PolarHBondContact O-N 2.94Å; R334-N338 WeakPolarHBondContact O-CB 3.29Å; R334-N338 PolarHBondContact O-N 3.42Å
335H60.3Low54.9Low144 Ų144111.8 Ų111.867%0.66752%0.516SS*.Hα-helixtrans-67-33.6175-151.8-57.8000112.2A331 E332 K333 S339A331-H335 WeakPolarHBondContact O-CB 3.32Å; A331-H335 PolarHBondContact O-N 3.1Å; E332-H335 WeakPolarHBondContact O-CB 3.08Å; E332-H335 PolarHBondContact O-N 2.98Å; K333-H335 VanDerWaalsContact C-N 3.34Å; H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.3Å
336R62.8Low55Low150 Ų150109.2 Ų109.257%0.56652%0.517SS*.Hα-helixtrans-70.1-41.9173.1-68.2-173.8-168.3-167.14.8112.6E332 K333 R334 S339 D340E332-R336 PolarHBondContact O-N 3.45Å; E332-R336 IonicContact OE1-CZ 3.78Å; E332-R336 IonicContact OE1-NE 3.41Å; E332-R336 IonicContact OE1-NH2 3.98Å; E332-R336 PolarHBondContact OE1-NH2 3.05Å; K333-R336 PolarHBondContact O-N 3.32Å; R334-R336 VanDerWaalsContact C-N 3.31Å; R336-S339 WeakPolarHBondContact CA-OG 3.26Å; R336-S339 PolarHBondContact O-N 3.18Å; R336-S339 PolarHBondContact O-OG 3.4Å; R336-D340 PolarHBondContact O-N 3.49Å
337Q61.2Low55Low81 Ų81114.6 Ų114.638%0.37955%0.546SS..Hα-helixtrans-62.8-43.5175.1-76.3-178.4-28.900111.9K333 R334 S339 D340 E341K333-Q337 PolarHBondContact O-N 3.1Å; R334-Q337 PolarHBondContact O-N 2.94Å; Q337-S339 VanDerWaalsContact C-N 3.27Å; Q337-S339 PolarHBondContact O-N 3.33Å; Q337-D340 PolarHBondContact O-N 2.77Å; Q337-E341 PolarHBondContact O-N 3.22Å; Q337-E341 VanDerWaalsContact O-N 3.15Å
338N59.1Low54.6Low87 Ų87123.6 Ų123.647%0.46559%0.585SS.*Hα-helixtrans-67.6-24.2175.8-74.21.6000113.5R334R334-N338 WeakPolarHBondContact O-CB 3.29Å; R334-N338 PolarHBondContact O-N 3.42Å
339S57.9Low54.5Low57 Ų57121.9 Ų121.940%0.39958%0.581SS.*Hα-helixtrans-82-31.1175.557.30000112.9H335 R336 Q337H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.26Å; R336-S339 PolarHBondContact O-N 3.18Å; R336-S339 PolarHBondContact O-OG 3.4Å; Q337-S339 VanDerWaalsContact C-N 3.27Å; Q337-S339 PolarHBondContact O-N 3.33Å
340D56.6Low54.4Low121 Ų121121.8 Ų121.865%0.64760%0.595SS**Hα-helixtrans-76.8-29.6177.2-76.5-21000112.4R336 Q337 R342R336-D340 PolarHBondContact O-N 3.49Å; Q337-D340 PolarHBondContact O-N 2.77Å; D340-R342 VanDerWaalsContact C-N 3.29Å; D340-R342 PolarHBondContact O-N 3.04Å
341E53Low53.9Low106 Ų106129 Ų12950%0.49563%0.632SS.*G310 helixtrans-71.2-17.5175-85.8174.9163.300113.9Q337 I343 R344Q337-E341 PolarHBondContact O-N 3.22Å; Q337-E341 VanDerWaalsContact O-N 3.15Å; E341-I343 PolarHBondContact O-N 3.48Å; E341-I343 VanDerWaalsContact O-N 3.13Å; E341-R344 PolarHBondContact O-N 3.39Å
342R51.7Low53.2Low219 Ų219132.1 Ų132.183%0.82664%0.643SS**G310 helixtrans-71.7-0.1176-80.1-169.9-173.7-160.30.4114.8D340D340-R342 VanDerWaalsContact C-N 3.29Å; D340-R342 PolarHBondContact O-N 3.04Å
343I54.3Low52.4Low144 Ų144131.8 Ų131.874%0.73865%0.653SS**G310 helixtrans-104.50.8-179.5-55.5177000111.9E341E341-I343 PolarHBondContact O-N 3.48Å; E341-I343 VanDerWaalsContact O-N 3.13Å
344R50.3Low51.4Low233 Ų233130.6 Ų130.688%0.87966%0.656SS**  trans-123.984.7171.2-95.3-177.3153.3119.8-4.6110.2E341E341-R344 PolarHBondContact O-N 3.39Å
345E45Very low50.9Low177 Ų177133.9 Ų133.983%0.82767%0.668SS**  trans-72.2148.4155.8-68.7178.716200108
346D47.5Very low50.5Low151 Ų151129.2 Ų129.281%0.80765%0.647SS**  trans8278-176.9-51.7-26.2000116
347D48.2Very low49.8Very low161 Ų161124.3 Ų124.386%0.86164%0.636SS**  -180124.6124.8-89.1-28.9000110.5A349D347-A349 PolarHBondContact O-N 3.26Å
348E45Very low49.5Very low211 Ų211125.6 Ų125.699%0.98665%0.652SS**  trans-61.999176.9-64.8-168.9150.500111.4
349A48.6Very low49.2Very low75 Ų75128.5 Ų128.562%0.6266%0.662SS**  trans-133.2137.3165.700000110.5D347 L351D347-A349 PolarHBondContact O-N 3.26Å; A349-L351 PolarHBondContact O-N 2.74Å
350P45.4Very low48.9Very low121 Ų121129.4 Ų129.479%0.78666%0.663SS**  trans-59.2126.3-178.3-16.828.4000110.5D352P350-D352 PolarHBondContact O-N 3.4Å
351L44.7Very low48.6Very low160 Ų160125.7 Ų125.784%0.83865%0.649SS**SBendtrans-65.268.8176.8-67.4164.4000111.8A349A349-L351 PolarHBondContact O-N 2.74Å
352D45.2Very low48.5Very low106 Ų106124 Ų12457%0.56765%0.649SS**  trans-106.15.5170.5-143.4-10.7000111.5P350 R355P350-D352 PolarHBondContact O-N 3.4Å; D352-R355 IonicContact OD1-CZ 3.97Å; D352-R355 IonicContact OD1-NE 2.84Å; D352-R355 IonicContact OD1-NH2 3.64Å; D352-R355 PolarHBondContact OD1-NH2 3.34Å; D352-R355 IonicContact OD2-NH2 3.71Å
353S41.7Very low48.3Very low98 Ų98120.9 Ų120.969%0.68564%0.643SS**  trans-88.8-2.7-174.7-61.50000115.3R355S353-R355 PolarHBondContact O-N 3.14Å
354A43Very low48.1Very low45 Ų45114.1 Ų114.137%0.37261%0.609SS.*  trans-79.931.7174.500000113.3I356A354-I356 PolarHBondContact O-N 3.33Å
355R47.8Very low47.9Very low165 Ų165109.9 Ų109.962%0.62360%0.603SS**  trans-86.1103.6172.6-69.5-175.2-172.6-166.34.8108.5D352 S353 S357D352-R355 IonicContact OD1-CZ 3.97Å; D352-R355 IonicContact OD1-NE 2.84Å; D352-R355 IonicContact OD1-NH2 3.64Å; D352-R355 PolarHBondContact OD1-NH2 3.34Å; D352-R355 IonicContact OD2-NH2 3.71Å; S353-R355 PolarHBondContact O-N 3.14Å; R355-S357 PolarHBondContact O-N 2.81Å; R355-S357 VanDerWaalsContact O-N 3.16Å
356I50.7Low47.9Very low45 Ų45104.1 Ų104.123%0.23158%0.582CS.*  trans-56.5120164.8-59.2170.5000106.6L326 C330 A354 D360 A361L326-I356 HydrophobicContact CD2-CD1 3.98Å; C330-I356 HydrophobicContact CB-CD1 4.32Å; A354-I356 PolarHBondContact O-N 3.33Å; I356-D360 HydrophobicContact CG2-CB 3.85Å; I356-A361 HydrophobicContact CG2-CB 4.43Å
357S49.4Very low47.8Very low47 Ų4798.1 Ų98.133%0.32955%0.552SS.*  trans-54137.5177.1179.90000109.6R355 E359 D360 A361R355-S357 PolarHBondContact O-N 2.81Å; R355-S357 VanDerWaalsContact O-N 3.16Å; S357-E359 PolarHBondContact O-N 3.46Å; S357-E359 VanDerWaalsContact O-N 3.08Å; S357-D360 WeakPolarHBondContact O-CA 3.43Å; S357-D360 WeakPolarHBondContact O-CB 3.47Å; S357-D360 PolarHBondContact O-N 3.12Å; S357-A361 PolarHBondContact O-N 3.07Å
358P53.3Low47.6Very low109 Ų10993.3 Ų93.371%0.70853%0.531SS*.Hα-helixtrans-56.6-25.7178.520-30.8000113A361 S362P358-A361 PolarHBondContact O-N 3.27Å; P358-S362 PolarHBondContact O-N 2.91Å
359E54.3Low47.8Very low147 Ų14787.5 Ų87.569%0.68751%0.51SS*.Hα-helixtrans-67.4-39.7173.3-68.1160.717000111.7S357 S362S357-E359 PolarHBondContact O-N 3.46Å; S357-E359 VanDerWaalsContact O-N 3.08Å; E359-S362 WeakPolarHBondContact O-CB 3.45Å; E359-S362 PolarHBondContact O-N 2.97Å; E359-S362 PolarHBondContact O-OG 3.2Å
360D51.4Low47.9Very low76 Ų7688.3 Ų88.341%0.40651%0.507SS..Hα-helixtrans-73-31.3176.3-97.2-5.8000112.6K333 I356 S357 S362K333-D360 IonicContact NZ-OD1 3.85Å; K333-D360 PolarHBondContact NZ-OD1 3.24Å; K333-D360 IonicContact NZ-OD2 3.78Å; K333-D360 PolarHBondContact NZ-OD2 3.42Å; I356-D360 HydrophobicContact CG2-CB 3.85Å; S357-D360 WeakPolarHBondContact O-CA 3.43Å; S357-D360 WeakPolarHBondContact O-CB 3.47Å; S357-D360 PolarHBondContact O-N 3.12Å; D360-S362 VanDerWaalsContact C-N 3.29Å
361A49.5Very low48.3Very low43 Ų4386.2 Ų86.236%0.35550%0.495SS..Hα-helixtrans-69.7-27.6173.800000112.3I356 S357 P358 H363 C364I356-A361 HydrophobicContact CG2-CB 4.43Å; S357-A361 PolarHBondContact O-N 3.07Å; P358-A361 PolarHBondContact O-N 3.27Å; A361-H363 VanDerWaalsContact C-N 3.31Å; A361-H363 PolarHBondContact O-N 3.3Å; A361-C364 PolarHBondContact O-N 3.34Å
362S51.4Low48.8Very low71 Ų7182.6 Ų82.650%0.49748%0.483SS..Hα-helixtrans-69.6-23.7-178.778.40000114.2P358 E359 D360 C364P358-S362 PolarHBondContact O-N 2.91Å; E359-S362 WeakPolarHBondContact O-CB 3.45Å; E359-S362 PolarHBondContact O-N 2.97Å; E359-S362 PolarHBondContact O-OG 3.2Å; D360-S362 VanDerWaalsContact C-N 3.29Å; S362-C364 VanDerWaalsContact C-N 3.35Å
363H48.1Very low49.8Very low153 Ų15379.1 Ų79.171%0.70847%0.472SS*.THydrogen-bonded Turntrans-86.9-5-178.4-76.338.4000113.8A361 L365A361-H363 VanDerWaalsContact C-N 3.31Å; A361-H363 PolarHBondContact O-N 3.3Å; H363-L365 PolarHBondContact O-N 3.37Å
364C48.5Very low50.9Low3 Ų379.2 Ų79.22%0.0246%0.463CS..  trans-76.395.4173.8-175.40000109.4C327 Y329 A361 S362 S366 C367 S368C327-C364 PolarHBondContact SG-SG 2.92Å; Y329-C364 HydrophobicContact CD1-CB 4.4Å; A361-C364 PolarHBondContact O-N 3.34Å; S362-C364 VanDerWaalsContact C-N 3.35Å; C364-S366 PolarHBondContact O-N 3.23Å; C364-S366 VanDerWaalsContact O-N 3.09Å; C364-S366 PolarHBondContact SG-OG 3.27Å; C364-C367 HydrophobicContact CB-CB 3.79Å; C364-C367 WeakPolarHBondContact O-CA 3.47Å; C364-C367 PolarHBondContact O-N 3.3Å; C364-C367 PolarHBondContact SG-N 2.94Å; C364-C367 VanDerWaalsContact SG-N 3.43Å; C364-C367 PolarHBondContact SG-SG 3.46Å; C364-S368 PolarHBondContact O-N 3.44Å
365L47.1Very low52.1Low143 Ų14379.8 Ų79.875%0.74947%0.468SS*.Hα-helixtrans-51.8-29.7176.8-84.6156.6000113.1H363 T369H363-L365 PolarHBondContact O-N 3.37Å; L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 3.05Å; L365-T369 PolarHBondContact O-OG1 3.02Å
366S45.3Very low53.4Low56 Ų5675.6 Ų75.639%0.39246%0.464SS..Hα-helixtrans-80.2-28.3174.545.10000113.3C327 C364 T369 V370C327-S366 PolarHBondContact SG-OG 3.31Å; C327-S366 VanDerWaalsContact SG-OG 3.39Å; C364-S366 PolarHBondContact O-N 3.23Å; C364-S366 VanDerWaalsContact O-N 3.09Å; C364-S366 PolarHBondContact SG-OG 3.27Å; S366-T369 PolarHBondContact O-OG1 3.06Å; S366-V370 WeakPolarHBondContact O-CB 3.34Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.25Å
367C45.9Very low54.6Low25 Ų2578.3 Ų78.317%0.16948%0.478CS..Hα-helixtrans-81.3-32.4173.1-70.70000112.8C364 S371C364-C367 HydrophobicContact CB-CB 3.79Å; C364-C367 WeakPolarHBondContact O-CA 3.47Å; C364-C367 PolarHBondContact O-N 3.3Å; C364-C367 PolarHBondContact SG-N 2.94Å; C364-C367 VanDerWaalsContact SG-N 3.43Å; C364-C367 PolarHBondContact SG-SG 3.46Å; C367-S371 VanDerWaalsContact O-CB 3.23Å; C367-S371 WeakPolarHBondContact O-CB 3.36Å; C367-S371 PolarHBondContact O-N 3.07Å; C367-S371 PolarHBondContact O-OG 2.72Å
368S42.2Very low56Low60 Ų6081.5 Ų81.542%0.4249%0.488SS..Hα-helixtrans-70.6-38.1178.779.50000112.1C364 S372C364-S368 PolarHBondContact O-N 3.44Å; S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3.47Å
369T50.3Low57.6Low90 Ų9083 Ų8355%0.55248%0.483SS*.Hα-helixtrans-70.1-40.7175.646.90000112.2L365 S366 G373L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 3.05Å; L365-T369 PolarHBondContact O-OG1 3.02Å; S366-T369 PolarHBondContact O-OG1 3.06Å; T369-G373 PolarHBondContact O-N 3.08Å
370V51.6Low59.1Low92 Ų9281.4 Ų81.456%0.55848%0.476SS*.Hα-helixtrans-68.2-40.2174.4174.30000111.5S366 G373 M374S366-V370 WeakPolarHBondContact O-CB 3.34Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.25Å; V370-G373 PolarHBondContact O-N 2.71Å; V370-M374 HydrophobicContact CG1-CG 4.17Å; V370-M374 WeakPolarHBondContact O-CB 3.48Å; V370-M374 WeakPolarHBondContact O-CG 3.46Å; V370-M374 PolarHBondContact O-N 3.44Å
371S53.1Low60.8Low77 Ų7785.4 Ų85.454%0.53849%0.49SS..Hα-helixtrans-66-40.8178-58.20000112C367 A375C367-S371 VanDerWaalsContact O-CB 3.23Å; C367-S371 WeakPolarHBondContact O-CB 3.36Å; C367-S371 PolarHBondContact O-N 3.07Å; C367-S371 PolarHBondContact O-OG 2.72Å; S371-A375 WeakPolarHBondContact O-CB 3.39Å; S371-A375 PolarHBondContact O-N 3.42Å
372S54.6Low62.6Low84 Ų8490 Ų9059%0.58750%0.502SS*.Hα-helixtrans-66.6-42.5174.6-174.20000112.1S368 A375 S376S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3.47Å; S372-A375 PolarHBondContact O-N 3.4Å; S372-S376 PolarHBondContact O-N 3.18Å
373G65.9Low64.5Low32 Ų3290.4 Ų90.433%0.3350%0.498SS..Hα-helixtrans-63.1-42.9175.300000113T369 V370 S376 L377T369-G373 PolarHBondContact O-N 3.08Å; V370-G373 PolarHBondContact O-N 2.71Å; G373-S376 PolarHBondContact O-N 3.27Å; G373-L377 WeakPolarHBondContact O-CG 3.46Å; G373-L377 PolarHBondContact O-N 3.35Å
374M66.2Low66.5Low100 Ų10085.6 Ų85.649%0.49349%0.485SS..Hα-helixtrans-66.8-38.9176.6-72.1-61.1-67.600112.3V370 L377 Q378V370-M374 HydrophobicContact CG1-CG 4.17Å; V370-M374 WeakPolarHBondContact O-CB 3.48Å; V370-M374 WeakPolarHBondContact O-CG 3.46Å; V370-M374 PolarHBondContact O-N 3.44Å; M374-L377 PolarHBondContact O-N 3.28Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; M374-Q378 WeakPolarHBondContact O-CB 3.26Å; M374-Q378 VanDerWaalsContact O-CG 3.31Å; M374-Q378 WeakPolarHBondContact O-CG 3.44Å; M374-Q378 PolarHBondContact O-N 3.2Å
375A66.8Low68.5Low58 Ų5891.9 Ų91.948%0.47951%0.512SS..Hα-helixtrans-64.2-40.5174.400000111.8S371 S372 Q378 K379S371-A375 WeakPolarHBondContact O-CB 3.39Å; S371-A375 PolarHBondContact O-N 3.42Å; S372-A375 PolarHBondContact O-N 3.4Å; A375-Q378 PolarHBondContact O-N 2.98Å; A375-K379 WeakPolarHBondContact O-CB 3.5Å; A375-K379 PolarHBondContact O-N 3.26Å
376S75Confident70.6Confident76 Ų7690.5 Ų90.553%0.53150%0.502SS..Hα-helixtrans-63.9-45.8174.6-167.90000111.9S372 G373 Q378 K379 E380S372-S376 PolarHBondContact O-N 3.18Å; G373-S376 PolarHBondContact O-N 3.27Å; S376-Q378 PolarHBondContact O-N 3.06Å; S376-K379 PolarHBondContact O-N 3.38Å; S376-E380 WeakPolarHBondContact O-CB 3.45Å; S376-E380 PolarHBondContact O-N 3.42Å
377L75.9Confident72.9Confident102 Ų10294.4 Ų94.453%0.53451%0.514SS..Hα-helixtrans-65.5-37177.7-73.3171.7000112.6G373 M374 E380 K381G373-L377 WeakPolarHBondContact O-CG 3.46Å; G373-L377 PolarHBondContact O-N 3.35Å; M374-L377 PolarHBondContact O-N 3.28Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; L377-E380 PolarHBondContact O-N 3.42Å; L377-K381 VanDerWaalsContact O-CB 3.29Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å
378Q80.3Confident75.1Confident114 Ų114100.2 Ų100.253%0.53353%0.533SS..Hα-helixtrans-66-39.4173.6-77.1-176.6-0.600111.7M374 A375 S376 K381 K382M374-Q378 WeakPolarHBondContact O-CB 3.26Å; M374-Q378 VanDerWaalsContact O-CG 3.31Å; M374-Q378 WeakPolarHBondContact O-CG 3.44Å; M374-Q378 PolarHBondContact O-N 3.2Å; A375-Q378 PolarHBondContact O-N 2.98Å; S376-Q378 PolarHBondContact O-N 3.06Å; Q378-K381 PolarHBondContact O-N 3.42Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 WeakPolarHBondContact O-CG 3.16Å; Q378-K382 PolarHBondContact O-N 3.07Å
379K86.9Confident77.5Confident141 Ų141100.6 Ų100.661%0.61353%0.53SS*.Hα-helixtrans-65.6-43.7174.8-171.8178.6179.5-178.20111.4A375 S376 K382 N383A375-K379 WeakPolarHBondContact O-CB 3.5Å; A375-K379 PolarHBondContact O-N 3.26Å; S376-K379 PolarHBondContact O-N 3.38Å; K379-K382 PolarHBondContact O-N 3.06Å; K379-N383 WeakPolarHBondContact O-CB 3.35Å; K379-N383 VanDerWaalsContact O-CG 3.26Å; K379-N383 PolarHBondContact O-N 2.96Å; K379-N383 PolarHBondContact O-OD1 3.16Å
380E84.5Confident79.6Confident114 Ų114100.7 Ų100.753%0.53353%0.528SS..Hα-helixtrans-63.1-42.4175.8-170.1175.2-176.100111.6S376 L377 K382 N383 A384S376-E380 WeakPolarHBondContact O-CB 3.45Å; S376-E380 PolarHBondContact O-N 3.42Å; L377-E380 PolarHBondContact O-N 3.42Å; E380-K382 PolarHBondContact O-N 3.24Å; E380-N383 PolarHBondContact O-N 3.46Å; E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 2.91Å
381K87.3Confident81.7Confident159 Ų159101.2 Ų101.269%0.69152%0.524SS*.Hα-helixtrans-62.8-41.4174-176.2-179.9178.5-178.90112.6L377 Q378 K385L377-K381 VanDerWaalsContact O-CB 3.29Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å; Q378-K381 PolarHBondContact O-N 3.42Å; K381-K385 WeakPolarHBondContact O-CB 3.48Å; K381-K385 PolarHBondContact O-N 3.35Å
382K88.3Confident83.7Confident140 Ų140100.8 Ų100.861%0.60952%0.515SS*.Hα-helixtrans-64.4-43.5175.5-76.8-178.3180-175.20111Q378 K379 E380 K385 Q386Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 WeakPolarHBondContact O-CG 3.16Å; Q378-K382 PolarHBondContact O-N 3.07Å; K379-K382 PolarHBondContact O-N 3.06Å; E380-K382 PolarHBondContact O-N 3.24Å; K382-K385 PolarHBondContact O-N 3.33Å; K382-Q386 WeakPolarHBondContact O-CB 3.2Å; K382-Q386 PolarHBondContact O-N 3.28Å
383N91.1Very high85.5Confident79 Ų79101.5 Ų101.542%0.42251%0.511SS..Hα-helixtrans-64.2-44.1176-71.1-2.1000112K379 E380 Q386 Q387K379-N383 WeakPolarHBondContact O-CB 3.35Å; K379-N383 VanDerWaalsContact O-CG 3.26Å; K379-N383 PolarHBondContact O-N 2.96Å; K379-N383 PolarHBondContact O-OD1 3.16Å; E380-N383 PolarHBondContact O-N 3.46Å; N383-Q386 PolarHBondContact O-N 3.11Å; N383-Q387 WeakPolarHBondContact O-CG 3.36Å; N383-Q387 PolarHBondContact O-N 3.02Å
384A89.3Confident86.9Confident52 Ų52105.3 Ų105.343%0.4352%0.52SS..Hα-helixtrans-65.8-38.917800000111.9E380 Q387 Y388E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 2.91Å; A384-Q387 PolarHBondContact O-N 2.92Å; A384-Y388 WeakPolarHBondContact O-CB 3.45Å; A384-Y388 PolarHBondContact O-N 3.32Å
385K91.3Very high88.2Confident135 Ų135104.6 Ų104.659%0.58752%0.515SS*.Hα-helixtrans-63.1-45.5172.9-175.3-179.1176.2-173.20111.1K381 K382 Q387 Y388 D389K381-K385 WeakPolarHBondContact O-CB 3.48Å; K381-K385 PolarHBondContact O-N 3.35Å; K382-K385 PolarHBondContact O-N 3.33Å; K385-Q387 PolarHBondContact O-N 3.46Å; K385-Y388 PolarHBondContact O-N 3.44Å; K385-D389 WeakPolarHBondContact O-CB 3.27Å; K385-D389 VanDerWaalsContact O-CG 3.26Å; K385-D389 PolarHBondContact O-N 2.94Å
386Q91.9Very high89.5Confident115 Ų115105.5 Ų105.554%0.53751%0.511SS..Hα-helixtrans-62.7-42.5178.2-173.61722.500111.7K382 N383 Y388 D389 D390K382-Q386 WeakPolarHBondContact O-CB 3.2Å; K382-Q386 PolarHBondContact O-N 3.28Å; N383-Q386 PolarHBondContact O-N 3.11Å; Q386-Y388 VanDerWaalsContact C-N 3.33Å; Q386-Y388 PolarHBondContact O-N 3.45Å; Q386-D389 PolarHBondContact O-N 3.27Å; Q386-D390 WeakPolarHBondContact O-CB 3.42Å; Q386-D390 PolarHBondContact O-N 3.04Å
387Q92.6Very high90.4Very high138 Ų138107.5 Ų107.565%0.64551%0.512SS*.Hα-helixtrans-60.6-41.6174.4-75.7176.2-16.800112.5N383 A384 K385 D390 E391N383-Q387 WeakPolarHBondContact O-CG 3.36Å; N383-Q387 PolarHBondContact O-N 3.02Å; A384-Q387 PolarHBondContact O-N 2.92Å; K385-Q387 PolarHBondContact O-N 3.46Å; Q387-D390 PolarHBondContact O-N 3.39Å; Q387-E391 WeakPolarHBondContact O-CB 3.48Å; Q387-E391 PolarHBondContact O-N 3.29Å
388Y91.9Very high91.2Very high146 Ų146107.8 Ų107.857%0.57351%0.511SS*.Hα-helixtrans-65.6-42.9175.7179-96.5000112.1A384 K385 Q386 D390 E391 L392A384-Y388 WeakPolarHBondContact O-CB 3.45Å; A384-Y388 PolarHBondContact O-N 3.32Å; K385-Y388 PolarHBondContact O-N 3.44Å; Q386-Y388 VanDerWaalsContact C-N 3.33Å; Q386-Y388 PolarHBondContact O-N 3.45Å; Y388-D390 VanDerWaalsContact C-N 3.35Å; Y388-E391 PolarHBondContact O-N 3.02Å; Y388-L392 HydrophobicContact CE1-CD2 4.43Å; Y388-L392 VanDerWaalsContact O-CB 3.27Å; Y388-L392 WeakPolarHBondContact O-CB 3.4Å; Y388-L392 PolarHBondContact O-N 2.96Å
389D93Very high91.8Very high68 Ų68109.7 Ų109.736%0.36452%0.517SS..Hα-helixtrans-65-40177.5-68.1-20.1000110.6K385 Q386 L392 M393K385-D389 WeakPolarHBondContact O-CB 3.27Å; K385-D389 VanDerWaalsContact O-CG 3.26Å; K385-D389 PolarHBondContact O-N 2.94Å; Q386-D389 PolarHBondContact O-N 3.27Å; D389-L392 PolarHBondContact O-N 3.2Å; D389-M393 WeakPolarHBondContact O-CB 3.31Å; D389-M393 VanDerWaalsContact O-CG 3.28Å; D389-M393 WeakPolarHBondContact O-CG 3.42Å; D389-M393 PolarHBondContact O-N 2.89Å
390D94.4Very high92.2Very high93 Ų93111.3 Ų111.350%0.49752%0.52SS..Hα-helixtrans-65.8-44.1175.8-68.5-21.2000111.6Q386 Q387 Y388 M393 Q394Q386-D390 WeakPolarHBondContact O-CB 3.42Å; Q386-D390 PolarHBondContact O-N 3.04Å; Q387-D390 PolarHBondContact O-N 3.39Å; Y388-D390 VanDerWaalsContact C-N 3.35Å; D390-M393 PolarHBondContact O-N 2.98Å; D390-Q394 PolarHBondContact O-N 3.34Å
391E94.6Very high92.6Very high103 Ų103110.9 Ų110.948%0.48152%0.517SS..Hα-helixtrans-64.6-40.4175.9-172.9-179.517400111.6Q387 Y388 Q394 Q395Q387-E391 WeakPolarHBondContact O-CB 3.48Å; Q387-E391 PolarHBondContact O-N 3.29Å; Y388-E391 PolarHBondContact O-N 3.02Å; E391-Q394 PolarHBondContact O-N 3.22Å; E391-Q395 WeakPolarHBondContact O-CG 3.32Å; E391-Q395 PolarHBondContact O-N 3.48Å
392L95.2Very high92.9Very high68 Ų68105.9 Ų105.936%0.35651%0.506SS..Hα-helixtrans-64-42.1176-17864.2000111.4Y388 D389 Q395 I396Y388-L392 HydrophobicContact CE1-CD2 4.43Å; Y388-L392 VanDerWaalsContact O-CB 3.27Å; Y388-L392 WeakPolarHBondContact O-CB 3.4Å; Y388-L392 PolarHBondContact O-N 2.96Å; D389-L392 PolarHBondContact O-N 3.2Å; L392-Q395 PolarHBondContact O-N 3.35Å; L392-I396 HydrophobicContact CG-CD1 4.16Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.95Å
393M93.2Very high93.3Very high99 Ų99105.8 Ų105.849%0.48851%0.505SS..Hα-helixtrans-63.8-41.5175.7-75.1-57.5-5600111.8D389 D390 Q395 I396 E397D389-M393 WeakPolarHBondContact O-CB 3.31Å; D389-M393 VanDerWaalsContact O-CG 3.28Å; D389-M393 WeakPolarHBondContact O-CG 3.42Å; D389-M393 PolarHBondContact O-N 2.89Å; D390-M393 PolarHBondContact O-N 2.98Å; M393-Q395 PolarHBondContact O-N 3.24Å; M393-I396 PolarHBondContact O-N 2.96Å; M393-I396 HydrophobicContact SD-CD1 4.33Å; M393-E397 PolarHBondContact O-N 3.03Å
394Q95.3Very high93.4Very high111 Ų111107.3 Ų107.352%0.51951%0.51SS..Hα-helixtrans-60.5-44.5174.7-172.3-179.4-16.200111.7D390 E391 I396 E397 E398D390-Q394 PolarHBondContact O-N 3.34Å; E391-Q394 PolarHBondContact O-N 3.22Å; Q394-I396 VanDerWaalsContact C-N 3.32Å; Q394-I396 PolarHBondContact O-N 3.48Å; Q394-E397 PolarHBondContact O-N 3.36Å; Q394-E398 PolarHBondContact NE2-OE1 3.4Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 2.99Å
395Q93.4Very high93.7Very high85 Ų85110.2 Ų110.240%0.39752%0.515SS..Hα-helixtrans-64-35176.5-71.5-178.918.200113E391 L392 M393 K399E391-Q395 WeakPolarHBondContact O-CG 3.32Å; E391-Q395 PolarHBondContact O-N 3.48Å; L392-Q395 PolarHBondContact O-N 3.35Å; M393-Q395 PolarHBondContact O-N 3.24Å; Q395-K399 WeakPolarHBondContact O-CB 3.44Å; Q395-K399 WeakPolarHBondContact O-CG 3.41Å; Q395-K399 PolarHBondContact O-N 3.01Å
396I93.2Very high93.8Very high77 Ų77109.2 Ų109.240%0.39551%0.512SS..Hα-helixtrans-67.4-41.3175.8-69.7165.6000110.5L392 M393 Q394 R400L392-I396 HydrophobicContact CG-CD1 4.16Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.95Å; M393-I396 PolarHBondContact O-N 2.96Å; M393-I396 HydrophobicContact SD-CD1 4.33Å; Q394-I396 VanDerWaalsContact C-N 3.32Å; Q394-I396 PolarHBondContact O-N 3.48Å; I396-R400 WeakPolarHBondContact O-CB 3.34Å; I396-R400 PolarHBondContact O-N 2.99Å
397E94.2Very high93.9Very high119 Ų119107.3 Ų107.356%0.55651%0.505SS*.Hα-helixtrans-66.8-43.8176.5-75.5176.3-175.200112M393 Q394 K399 R400 H401M393-E397 PolarHBondContact O-N 3.03Å; Q394-E397 PolarHBondContact O-N 3.36Å; E397-K399 PolarHBondContact O-N 2.89Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 3.18Å; E397-R400 VanDerWaalsContact O-N 3.16Å; E397-H401 PolarHBondContact O-N 3.36Å
398E93.9Very high94Very high108 Ų108104.5 Ų104.551%0.50549%0.494SS..Hα-helixtrans-59.8-44.6174.7-74.3174-171.200111.7Q394 R400 H401 A402Q394-E398 PolarHBondContact NE2-OE1 3.4Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 2.99Å; E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.89Å; E398-H401 PolarHBondContact O-N 3.09Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.78Å
399K93.2Very high94.2Very high153 Ų153103.5 Ų103.567%0.66549%0.493SS*.Hα-helixtrans-64.7-36175-76.9179.3179.1177.40112.7Q395 E397 K403Q395-K399 WeakPolarHBondContact O-CB 3.44Å; Q395-K399 WeakPolarHBondContact O-CG 3.41Å; Q395-K399 PolarHBondContact O-N 3.01Å; E397-K399 PolarHBondContact O-N 2.89Å; K399-K403 WeakPolarHBondContact O-CB 3.47Å; K399-K403 PolarHBondContact O-N 3.44Å
400R93.8Very high94.3Very high175 Ų175104 Ų10466%0.6649%0.493SS*.Hα-helixtrans-64.6-46.8175.4-174.5-172.9-66.1-169.61110.6I396 E397 E398 K403 E404I396-R400 WeakPolarHBondContact O-CB 3.34Å; I396-R400 PolarHBondContact O-N 2.99Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 3.18Å; E397-R400 VanDerWaalsContact O-N 3.16Å; E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.89Å; R400-K403 PolarHBondContact O-N 3.13Å; R400-E404 WeakPolarHBondContact O-CB 3.42Å; R400-E404 PolarHBondContact O-N 3.34Å
401H93.7Very high94.3Very high105 Ų105107.3 Ų107.349%0.48650%0.498SS..Hα-helixtrans-65.3-41.1179.3-169.9-94.7000112E397 E398 K403 E404 Q405E397-H401 PolarHBondContact O-N 3.36Å; E398-H401 PolarHBondContact O-N 3.09Å; H401-K403 VanDerWaalsContact C-N 3.34Å; H401-K403 PolarHBondContact O-N 3.39Å; H401-E404 PolarHBondContact O-N 3.16Å; H401-Q405 PolarHBondContact CE1-NE2 3.42Å; H401-Q405 WeakPolarHBondContact O-CG 3.28Å; H401-Q405 PolarHBondContact O-N 3.43Å
402A94.3Very high94.3Very high55 Ų55106.4 Ų106.446%0.45549%0.494SS..Hα-helixtrans-61-41.9174.300000112.2E398 Q405 Q406E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.78Å; A402-Q405 PolarHBondContact O-N 2.75Å; A402-Q406 PolarHBondContact O-N 3.45Å
403K95Very high94.3Very high137 Ų137107.9 Ų107.960%0.59650%0.499SS*.Hα-helixtrans-67.4-37.7176.1-171.6176.3-178.8177.90112.3K399 R400 H401 Q406 L407K399-K403 WeakPolarHBondContact O-CB 3.47Å; K399-K403 PolarHBondContact O-N 3.44Å; R400-K403 PolarHBondContact O-N 3.13Å; H401-K403 VanDerWaalsContact C-N 3.34Å; H401-K403 PolarHBondContact O-N 3.39Å; K403-Q406 PolarHBondContact O-N 3.47Å; K403-L407 HydrophobicContact CG-CD1 4.49Å; K403-L407 WeakPolarHBondContact O-CG 3.42Å; K403-L407 PolarHBondContact O-N 3.38Å
404E94.8Very high94.4Very high111 Ų111107.5 Ų107.552%0.51950%0.499SS..Hα-helixtrans-64.7-43.4175.6-175.3167.3-163.100111.6R400 H401 Q406 L407 I408R400-E404 WeakPolarHBondContact O-CB 3.42Å; R400-E404 PolarHBondContact O-N 3.34Å; H401-E404 PolarHBondContact O-N 3.16Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 3.33Å; E404-L407 PolarHBondContact O-N 2.95Å; E404-I408 HydrophobicContact CG-CD1 4.34Å; E404-I408 WeakPolarHBondContact O-CG1 3.38Å; E404-I408 PolarHBondContact O-N 3.19Å
405Q93.9Very high94.4Very high113 Ų113108.5 Ų108.553%0.52850%0.498SS..Hα-helixtrans-61-40.8173.3-73.1-176.4-21.100112.4H401 A402 I408 K409H401-Q405 PolarHBondContact CE1-NE2 3.42Å; H401-Q405 WeakPolarHBondContact O-CG 3.28Å; H401-Q405 PolarHBondContact O-N 3.43Å; A402-Q405 PolarHBondContact O-N 2.75Å; Q405-I408 PolarHBondContact O-N 3.34Å; Q405-K409 PolarHBondContact O-N 3Å
406Q94.4Very high94.5Very high114 Ų114111 Ų11153%0.53351%0.508SS..Hα-helixtrans-61.8-45.3175-173.5-179.2-15.200111.5A402 K403 E404 I408 K409 E410A402-Q406 PolarHBondContact O-N 3.45Å; K403-Q406 PolarHBondContact O-N 3.47Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 3.33Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 3.03Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.96Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.42Å; Q406-E410 PolarHBondContact NE2-OE1 3.41Å; Q406-E410 WeakPolarHBondContact O-CG 3.27Å; Q406-E410 PolarHBondContact O-N 3.11Å
407L94.6Very high94.6Very high75 Ų75112.2 Ų112.239%0.39351%0.514SS..Hα-helixtrans-63.6-33.9176.9-74168.6000112.8K403 E404 R411K403-L407 HydrophobicContact CG-CD1 4.49Å; K403-L407 WeakPolarHBondContact O-CG 3.42Å; K403-L407 PolarHBondContact O-N 3.38Å; E404-L407 PolarHBondContact O-N 2.95Å; L407-R411 WeakPolarHBondContact O-CB 3.43Å; L407-R411 VanDerWaalsContact O-CG 3.26Å; L407-R411 WeakPolarHBondContact O-CG 3.48Å; L407-R411 PolarHBondContact O-N 2.98Å
408I94.5Very high94.6Very high80 Ų80110.9 Ų110.941%0.4151%0.51SS..Hα-helixtrans-65.5-44.5174-68.5165.6000110.2E404 Q405 Q406 R411 E412E404-I408 HydrophobicContact CG-CD1 4.34Å; E404-I408 WeakPolarHBondContact O-CG1 3.38Å; E404-I408 PolarHBondContact O-N 3.19Å; Q405-I408 PolarHBondContact O-N 3.34Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 3.03Å; I408-R411 PolarHBondContact O-N 2.94Å; I408-E412 PolarHBondContact O-N 2.83Å
409K95.8Very high94.6Very high125 Ų125111.8 Ų111.854%0.54351%0.514SS..Hα-helixtrans-63.5-44.5177.5-170.3-176.2177.7-162.30112.1Q405 Q406 R411 E412 E413Q405-K409 PolarHBondContact O-N 3Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.96Å; K409-R411 VanDerWaalsContact C-N 3.34Å; K409-R411 PolarHBondContact O-N 3.3Å; K409-E412 WeakPolarHBondContact O-CB 3.4Å; K409-E412 PolarHBondContact O-N 3.46Å; K409-E412 VanDerWaalsContact O-N 3.1Å; K409-E413 WeakPolarHBondContact CE-OE1 3.32Å; K409-E413 IonicContact NZ-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.32Å; K409-E413 PolarHBondContact O-N 3.29Å
410E94.3Very high94.7Very high79 Ų79107 Ų10737%0.36950%0.503SS..Hα-helixtrans-59.6-44.2175.2-73.6170.6-172.300110.8Q406 E412 E413 D414Q406-E410 WeakPolarHBondContact CG-OE1 3.42Å; Q406-E410 PolarHBondContact NE2-OE1 3.41Å; Q406-E410 WeakPolarHBondContact O-CG 3.27Å; Q406-E410 PolarHBondContact O-N 3.11Å; E410-E412 VanDerWaalsContact C-N 3.29Å; E410-E412 PolarHBondContact O-N 3.49Å; E410-E413 PolarHBondContact O-N 3.11Å; E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 2.87Å
411R94.6Very high94.7Very high162 Ų162102.8 Ų102.861%0.61149%0.493SS*.Hα-helixtrans-63.9-30.8174.5-73.4175.7-177.8-179.13113.5L407 I408 K409 R415L407-R411 WeakPolarHBondContact O-CB 3.43Å; L407-R411 VanDerWaalsContact O-CG 3.26Å; L407-R411 WeakPolarHBondContact O-CG 3.48Å; L407-R411 PolarHBondContact O-N 2.98Å; I408-R411 PolarHBondContact O-N 2.94Å; K409-R411 VanDerWaalsContact C-N 3.34Å; K409-R411 PolarHBondContact O-N 3.3Å; R411-R415 WeakPolarHBondContact O-CB 3.37Å; R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.48Å; R411-R415 PolarHBondContact O-NH1 3.49Å
412E95.5Very high94.7Very high84 Ų84103.5 Ų103.539%0.39350%0.496SS..Hα-helixtrans-71.5-40.7173.9-79.9175.3-170.100112.1I408 K409 E410 R415 K416I408-E412 PolarHBondContact O-N 2.83Å; K409-E412 WeakPolarHBondContact O-CB 3.4Å; K409-E412 PolarHBondContact O-N 3.46Å; K409-E412 VanDerWaalsContact O-N 3.1Å; E410-E412 VanDerWaalsContact C-N 3.29Å; E410-E412 PolarHBondContact O-N 3.49Å; E412-R415 PolarHBondContact O-N 3.25Å; E412-K416 WeakPolarHBondContact O-CG 3.37Å; E412-K416 PolarHBondContact O-N 2.92Å
413E95.1Very high94.7Very high98 Ų98103.3 Ų103.346%0.45850%0.495SS..Hα-helixtrans-64.8-43.1174.4-70.6174.2-17600110.8K409 E410 R415 K416 L417K409-E413 WeakPolarHBondContact CE-OE1 3.32Å; K409-E413 IonicContact NZ-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.32Å; K409-E413 PolarHBondContact O-N 3.29Å; E410-E413 PolarHBondContact O-N 3.11Å; E413-R415 PolarHBondContact O-N 3Å; E413-K416 WeakPolarHBondContact O-CB 3.15Å; E413-K416 PolarHBondContact O-N 2.84Å; E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 PolarHBondContact O-N 3.49Å
414D94.2Very high94.6Very high92 Ų92101.2 Ų101.249%0.49249%0.494SS..Hα-helixtrans-61.1-42.9173.8-74.4-14.4000111.8E410 K416 L417 I418E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 2.87Å; D414-K416 VanDerWaalsContact C-N 3.34Å; D414-K416 PolarHBondContact O-N 3.44Å; D414-L417 PolarHBondContact O-N 3.35Å; D414-I418 VanDerWaalsContact O-CG1 3.26Å; D414-I418 WeakPolarHBondContact O-CG1 3.41Å; D414-I418 PolarHBondContact O-N 3.2Å
415R95.1Very high94.5Very high132 Ų13299.9 Ų99.950%0.49849%0.49SS..Hα-helixtrans-61.3-41.9174.9-79.5-169-59.6-93.611.7111.8R411 E412 E413 I418 Q419R411-R415 WeakPolarHBondContact O-CB 3.37Å; R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.48Å; R411-R415 PolarHBondContact O-NH1 3.49Å; E412-R415 PolarHBondContact O-N 3.25Å; E413-R415 PolarHBondContact O-N 3Å; R415-I418 PolarHBondContact O-N 3.23Å; R415-Q419 WeakPolarHBondContact O-CG 3.49Å; R415-Q419 PolarHBondContact O-N 3.46Å
416K95.9Very high94.5Very high138 Ų13897.2 Ų97.260%0.649%0.487SS*.Hα-helixtrans-64.9-40.1176-73.1172.7-177.71750111.6E412 E413 D414 Q419 A420E412-K416 WeakPolarHBondContact O-CG 3.37Å; E412-K416 PolarHBondContact O-N 2.92Å; E413-K416 WeakPolarHBondContact O-CB 3.15Å; E413-K416 PolarHBondContact O-N 2.84Å; D414-K416 VanDerWaalsContact C-N 3.34Å; D414-K416 PolarHBondContact O-N 3.44Å; K416-Q419 PolarHBondContact O-N 3.34Å; K416-A420 WeakPolarHBondContact O-CB 3.36Å; K416-A420 PolarHBondContact O-N 3.38Å
417L94.9Very high94.5Very high102 Ų10298.5 Ų98.553%0.53449%0.491SS..Hα-helixtrans-64.5-45.7176.7-178.562.3000111.3E413 D414 Q419 A420 I421E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 PolarHBondContact O-N 3.49Å; D414-L417 PolarHBondContact O-N 3.35Å; L417-Q419 PolarHBondContact O-N 3.37Å; L417-A420 PolarHBondContact O-N 3.17Å; L417-I421 HydrophobicContact CD1-CD1 4.31Å; L417-I421 HydrophobicContact CG-CD1 4.03Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.48Å; L417-I421 PolarHBondContact O-N 3.35Å
418I94.5Very high94.3Very high90 Ų9099.9 Ų99.946%0.46250%0.495SS..Hα-helixtrans-59.9-46.3176.3-68.5165.1000110.5D414 R415 A420 I421 E422D414-I418 VanDerWaalsContact O-CG1 3.26Å; D414-I418 WeakPolarHBondContact O-CG1 3.41Å; D414-I418 PolarHBondContact O-N 3.2Å; R415-I418 PolarHBondContact O-N 3.23Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.39Å; I418-I421 PolarHBondContact O-N 2.96Å; I418-E422 HydrophobicContact CG2-CG 4.39Å; I418-E422 WeakPolarHBondContact O-CG 3.29Å; I418-E422 PolarHBondContact O-N 3.31Å
419Q95.3Very high94.2Very high127 Ų127103.6 Ų103.659%0.59351%0.509SS*.Hα-helixtrans-60.7-38.8176.2-75.2177.3-5.100112.6R415 K416 L417 E422 A423R415-Q419 WeakPolarHBondContact O-CG 3.49Å; R415-Q419 PolarHBondContact O-N 3.46Å; K416-Q419 PolarHBondContact O-N 3.34Å; L417-Q419 PolarHBondContact O-N 3.37Å; Q419-E422 PolarHBondContact O-N 3.44Å; Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.27Å
420A94.8Very high94Very high53 Ų53103.2 Ų103.244%0.43851%0.509SS..Hα-helixtrans-66-41.7175.700000111.8K416 L417 I418 A423 V424K416-A420 WeakPolarHBondContact O-CB 3.36Å; K416-A420 PolarHBondContact O-N 3.38Å; L417-A420 PolarHBondContact O-N 3.17Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.39Å; A420-A423 PolarHBondContact O-N 3.45Å; A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.48Å
421I93.4Very high93.8Very high86 Ų86104.9 Ų104.944%0.44152%0.517SS..Hα-helixtrans-63.5-45.4175.5-67.3165.9000110.4L417 I418 A423 V424 L425L417-I421 HydrophobicContact CD1-CD1 4.31Å; L417-I421 HydrophobicContact CG-CD1 4.03Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.48Å; L417-I421 PolarHBondContact O-N 3.35Å; I418-I421 PolarHBondContact O-N 2.96Å; I421-A423 VanDerWaalsContact C-N 3.31Å; I421-A423 PolarHBondContact O-N 2.83Å; I421-V424 PolarHBondContact O-N 2.86Å; I421-L425 HydrophobicContact CG2-CD1 3.98Å; I421-L425 HydrophobicContact CG2-CG 4.36Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.44Å
422E94.1Very high93.6Very high120 Ų120100.1 Ų100.156%0.56151%0.505SS*.Hα-helixtrans-60.8-39.2176.4-73.5178.2167.900112I418 Q419 L425 A426I418-E422 HydrophobicContact CG2-CG 4.39Å; I418-E422 WeakPolarHBondContact O-CG 3.29Å; I418-E422 PolarHBondContact O-N 3.31Å; Q419-E422 PolarHBondContact O-N 3.44Å; E422-L425 PolarHBondContact O-N 2.92Å; E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.29Å
423A93.7Very high93.1Very high52 Ų52102.1 Ų102.143%0.4351%0.51SS..Hα-helixtrans-66.3-38.6175.400000112.6Q419 A420 I421 A426 K427Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.27Å; A420-A423 PolarHBondContact O-N 3.45Å; I421-A423 VanDerWaalsContact C-N 3.31Å; I421-A423 PolarHBondContact O-N 2.83Å; A423-A426 PolarHBondContact O-N 2.91Å; A423-K427 WeakPolarHBondContact O-CG 3.35Å; A423-K427 PolarHBondContact O-N 3.31Å
424V94.1Very high92.8Very high93 Ų93102.2 Ų102.256%0.56451%0.511SS*.Hα-helixtrans-66-46.7174.3171.90000110.6A420 I421 A426 K427 E428A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.48Å; I421-V424 PolarHBondContact O-N 2.86Å; V424-A426 VanDerWaalsContact C-N 3.27Å; V424-A426 PolarHBondContact O-N 2.81Å; V424-K427 PolarHBondContact O-N 2.94Å; V424-K427 VanDerWaalsContact O-N 3.16Å; V424-E428 PolarHBondContact O-N 3.48Å
425L92.7Very high92.2Very high82 Ų82103.4 Ų103.443%0.42951%0.513SS..Hα-helixtrans-62.4-33.9176.5-70.6173.7000112.3I421 E422 K429I421-L425 HydrophobicContact CG2-CD1 3.98Å; I421-L425 HydrophobicContact CG2-CG 4.36Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.44Å; E422-L425 PolarHBondContact O-N 2.92Å; L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.18Å
426A92.7Very high91.4Very high58 Ų58103.5 Ų103.548%0.47952%0.519SS..Hα-helixtrans-67.9-41.3174.600000112.1E422 A423 V424 K429 Q430E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.29Å; A423-A426 PolarHBondContact O-N 2.91Å; V424-A426 VanDerWaalsContact C-N 3.27Å; V424-A426 PolarHBondContact O-N 2.81Å; A426-K429 PolarHBondContact O-N 3.46Å; A426-Q430 PolarHBondContact O-N 3.5Å; A426-Q430 VanDerWaalsContact O-N 3.07Å
427K93.7Very high90.6Very high140 Ų140105.1 Ų105.161%0.60952%0.522SS*.Hα-helixtrans-63.3-46.8173.6-75.1-177178-174.30111.7A423 V424 K429 Q430 E431A423-K427 WeakPolarHBondContact O-CG 3.35Å; A423-K427 PolarHBondContact O-N 3.31Å; V424-K427 PolarHBondContact O-N 2.94Å; V424-K427 VanDerWaalsContact O-N 3.16Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 3.16Å; K427-Q430 WeakPolarHBondContact O-CB 3.31Å; K427-Q430 PolarHBondContact O-N 2.87Å; K427-Q430 VanDerWaalsContact O-N 3.08Å; K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.91Å
428E92.3Very high89.6Confident104 Ų104105.8 Ų105.849%0.48653%0.53SS..Hα-helixtrans-60.5-43.3177.9-172.5-179.8-174.800111.4V424 Q430 E431 V432V424-E428 PolarHBondContact O-N 3.48Å; E428-Q430 VanDerWaalsContact C-N 3.29Å; E428-Q430 PolarHBondContact O-N 2.88Å; E428-E431 PolarHBondContact O-N 3.14Å; E428-V432 WeakPolarHBondContact O-CB 3.39Å; E428-V432 VanDerWaalsContact O-CG2 3.27Å; E428-V432 WeakPolarHBondContact O-CG2 3.45Å; E428-V432 PolarHBondContact O-N 3.41Å
429K92Very high88.1Confident159 Ų159108 Ų10869%0.69154%0.542SS*.Hα-helixtrans-60.9-37.2174.1-77.8175.6-178.3179.50112.9L425 A426 K427 Y433L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.18Å; A426-K429 PolarHBondContact O-N 3.46Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 3.16Å; K429-Y433 WeakPolarHBondContact O-CB 3.48Å; K429-Y433 PolarHBondContact O-N 3.45Å; K429-Y433 VanDerWaalsContact O-N 3.13Å
430Q91.2Very high86.1Confident116 Ų116103.4 Ų103.454%0.54253%0.528SS..Hα-helixtrans-69.2-45.2176.8-176.5177-16.700111.2A426 K427 E428 V432 Y433 E434A426-Q430 PolarHBondContact O-N 3.5Å; A426-Q430 VanDerWaalsContact O-N 3.07Å; K427-Q430 WeakPolarHBondContact O-CB 3.31Å; K427-Q430 PolarHBondContact O-N 2.87Å; K427-Q430 VanDerWaalsContact O-N 3.08Å; E428-Q430 VanDerWaalsContact C-N 3.29Å; E428-Q430 PolarHBondContact O-N 2.88Å; Q430-V432 PolarHBondContact O-N 3.4Å; Q430-Y433 PolarHBondContact O-N 2.83Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.47Å; Q430-E434 PolarHBondContact NE2-OE1 3.37Å; Q430-E434 WeakPolarHBondContact O-CG 3.4Å; Q430-E434 PolarHBondContact O-N 3.4Å
431E90.1Very high84.1Confident115 Ų115106.1 Ų106.154%0.53754%0.541SS..Hα-helixtrans-59.6-45.8176.3-72.1172.6-172.300111.1K427 E428 Y433 E434 E435K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.91Å; E428-E431 PolarHBondContact O-N 3.14Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.41Å; E431-E434 PolarHBondContact O-N 2.75Å; E431-E435 WeakPolarHBondContact O-CG 3.36Å; E431-E435 PolarHBondContact O-N 3.41Å
432V89.3Confident81.9Confident62 Ų62111.3 Ų111.338%0.37656%0.563SS.*Hα-helixtrans-60.9-37.3175.4171.90000112E428 Q430 Q436E428-V432 WeakPolarHBondContact O-CB 3.39Å; E428-V432 VanDerWaalsContact O-CG2 3.27Å; E428-V432 WeakPolarHBondContact O-CG2 3.45Å; E428-V432 PolarHBondContact O-N 3.41Å; Q430-V432 PolarHBondContact O-N 3.4Å; V432-Q436 WeakPolarHBondContact O-CB 3.13Å; V432-Q436 WeakPolarHBondContact O-CG 3.44Å; V432-Q436 PolarHBondContact O-N 2.75Å
433Y86.9Confident79.7Confident126 Ų126110.9 Ų110.949%0.49457%0.573SS.*Hα-helixtrans-70.4-37.1176.8-174.5-100.3000112.4K429 Q430 E431 R437K429-Y433 WeakPolarHBondContact O-CB 3.48Å; K429-Y433 PolarHBondContact O-N 3.45Å; K429-Y433 VanDerWaalsContact O-N 3.13Å; Q430-Y433 PolarHBondContact O-N 2.83Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.41Å; Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 PolarHBondContact O-N 3.41Å; Y433-R437 PolarHBondContact OH-NE 2.87Å; Y433-R437 PolarHBondContact OH-NH2 3.01Å
434E87.5Confident77.7Confident100 Ų100115.6 Ų115.647%0.46759%0.59SS.*Hα-helixtrans-68.7-40.1174.6-71.2175.9-167.200111.6Q430 E431 R437 T438Q430-E434 WeakPolarHBondContact CG-OE1 3.47Å; Q430-E434 PolarHBondContact NE2-OE1 3.37Å; Q430-E434 WeakPolarHBondContact O-CG 3.4Å; Q430-E434 PolarHBondContact O-N 3.4Å; E431-E434 PolarHBondContact O-N 2.75Å; E434-R437 PolarHBondContact O-N 3.32Å; E434-T438 WeakPolarHBondContact O-CG2 3.37Å; E434-T438 PolarHBondContact O-N 3.49Å; E434-T438 PolarHBondContact O-OG1 3.24Å; E434-T438 VanDerWaalsContact O-OG1 3.14Å
435E81.4Confident75.6Confident117 Ų117121.2 Ų121.255%0.54761%0.607SS.*Hα-helixtrans-61.9-45.7171.3-74.4-174.1171.500111.8E431 R437 T438 I439E431-E435 WeakPolarHBondContact O-CG 3.36Å; E431-E435 PolarHBondContact O-N 3.41Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.41Å; E435-T438 WeakPolarHBondContact CA-OG1 3.48Å; E435-T438 PolarHBondContact O-N 2.85Å; E435-T438 PolarHBondContact O-OG1 2.79Å; E435-I439 HydrophobicContact CB-CD1 4.47Å; E435-I439 WeakPolarHBondContact O-CB 3.37Å; E435-I439 WeakPolarHBondContact O-CD1 3.34Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.21Å; E435-I439 PolarHBondContact O-N 3.23Å
436Q78.5Confident73.4Confident133 Ų133126.4 Ų126.462%0.62163%0.629SS**Hα-helixtrans-63-33.4175.9-76.9-178.422.900113V432 G440V432-Q436 WeakPolarHBondContact O-CB 3.13Å; V432-Q436 WeakPolarHBondContact O-CG 3.44Å; V432-Q436 PolarHBondContact O-N 2.75Å; Q436-G440 PolarHBondContact O-N 3Å
437R78.9Confident71.1Confident173 Ų173132.7 Ų132.765%0.65365%0.649SS**Hα-helixtrans-69.3-38.1174.1-83.3-170.6172.7-172.13.1112.6Y433 E434 E435 G440Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 PolarHBondContact O-N 3.41Å; Y433-R437 PolarHBondContact OH-NE 2.87Å; Y433-R437 PolarHBondContact OH-NH2 3.01Å; E434-R437 PolarHBondContact O-N 3.32Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.41Å; R437-G440 PolarHBondContact O-N 3.49Å
438T75.1Confident68.8Low116 Ų116137.8 Ų137.871%0.71266%0.664SS**Hα-helixtrans-76.1-27.1178.753.10000112.6E434 E435 G440E434-T438 WeakPolarHBondContact O-CG2 3.37Å; E434-T438 PolarHBondContact O-N 3.49Å; E434-T438 PolarHBondContact O-OG1 3.24Å; E434-T438 VanDerWaalsContact O-OG1 3.14Å; E435-T438 WeakPolarHBondContact CA-OG1 3.48Å; E435-T438 PolarHBondContact O-N 2.85Å; E435-T438 PolarHBondContact O-OG1 2.79Å; T438-G440 VanDerWaalsContact C-N 3.3Å
439I62.2Low66.4Low137 Ų137143.6 Ų143.670%0.70368%0.683SS**SBendtrans-87.40.7175.1-58.9165.2000111.9E435E435-I439 HydrophobicContact CB-CD1 4.47Å; E435-I439 WeakPolarHBondContact O-CB 3.37Å; E435-I439 WeakPolarHBondContact O-CD1 3.34Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.21Å; E435-I439 PolarHBondContact O-N 3.23Å
440G52.7Low64.1Low30 Ų30143.6 Ų143.631%0.30969%0.691SS.*SBendtrans-55.2149.2174.600000113.8Q436 R437 T438 H442Q436-G440 PolarHBondContact O-N 3Å; R437-G440 PolarHBondContact O-N 3.49Å; T438-G440 VanDerWaalsContact C-N 3.3Å; G440-H442 PolarHBondContact O-N 3.46Å
441P52.9Low61.7Low109 Ų109143.2 Ų143.271%0.70870%0.699SS**  trans-79.281.5-144.533.7-37.1000112.9S443P441-S443 PolarHBondContact O-N 3.49Å
442H48.2Very low59.6Low195 Ų195143.1 Ų143.190%0.90371%0.706SS**THydrogen-bonded Turntrans-81.66.7170.7-103.1-54.2000114.6G440G440-H442 PolarHBondContact O-N 3.46Å
443S46.9Very low57.5Low112 Ų112148.2 Ų148.278%0.78373%0.726SS**THydrogen-bonded Turntrans-121.88.7-17442.40000116.4P441P441-S443 PolarHBondContact O-N 3.49Å
444L51.6Low55.5Low150 Ų150147.1 Ų147.179%0.78574%0.736SS**SBendtrans-122.918.6-173.7-95.3161.5000116.9
445K51.2Low53.4Low212 Ų212149.4 Ų149.492%0.92276%0.757SS**SBendtrans-128.315.4-179.4-76.8-172.4178.6176.40117.2
446Q46.2Very low51.8Low190 Ų190152.7 Ų152.789%0.88877%0.769SS**SBendtrans-117.910.5-170.6-136170.36.300118.1
447E43.6Very low50.2Low190 Ų190155.5 Ų155.589%0.88878%0.779SS**SBendtrans-134.757.1176.2-78.8-167.4146.800114
448R46.6Very low48.7Very low247 Ų247151.9 Ų151.993%0.93278%0.781SS**  trans-149.666.3156.5-74.2-160.2-174.1177.43.4111.2
449Y41.5Very low47.1Very low227 Ų227151 Ų15189%0.8979%0.785SS**  trans-103.7101.7158.3-101.1-90.5000108.3
450N43.5Very low46.4Very low159 Ų159154 Ų15485%0.8579%0.793SS**  trans-151.9110149-104.9-27.3000108
451P41.5Very low45.9Very low108 Ų108157.5 Ų157.570%0.70181%0.81SS**  trans-94.4120-175.533.8-27000109.8
452T45.3Very low45.4Very low113 Ų113160.3 Ų160.369%0.69382%0.819SS**  trans-154.8118.2163.2-32.60000112.2
453Q45.9Very low45.2Very low169 Ų169155.3 Ų155.379%0.7981%0.812SS**  trans68.496.3148.8-70.8171.319.600117.6
454S45.3Very low45.1Very low102 Ų102158.2 Ų158.271%0.71382%0.817SS**  71110.591.572.40000114.1
455V43.3Very low45Very low149 Ų149156.2 Ų156.290%0.90381%0.813SS**  -168.4134.6121.6163.60000108.7
456K47.7Very low44.6Very low185 Ų185154.1 Ų154.180%0.80481%0.812SS**  trans-77.6165.7-175.4-72.2168160.8168.50113.3
457K44.4Very low44.5Very low192 Ų192150.4 Ų150.484%0.83581%0.807SS**  trans93.4138.4150-75.8178.9175.4178.90115.5
458S46.4Very low44.7Very low97 Ų97152.1 Ų152.168%0.67881%0.805SS**  cis167.8136.9-20.842.80000105.7
459A41.4Very low44.9Very low97 Ų97146 Ų14680%0.80280%0.797SS**  trans69.2139.3156.500000117.1
460K47.5Very low45.2Very low200 Ų200141.9 Ų141.987%0.8779%0.791SS**  cis-160.1162.110.3-124.1178.4178-176.30107.6
461P43.4Very low45.6Very low105 Ų105141.4 Ų141.468%0.68279%0.788SS**  trans-91151.5-174.537.1-29.2000111.9
462D42Very low46.1Very low167 Ų167142.4 Ų142.489%0.89379%0.786SS**  trans164.594.3146.2-87-23.9000109
463A44.4Very low46.4Very low91 Ų91141.8 Ų141.875%0.75278%0.779SS**  trans-160.8115.6155.500000107.3P465A463-P465 WeakPolarHBondContact O-CD 3.47Å
464I44.5Very low46.8Very low172 Ų172137.8 Ų137.888%0.88277%0.769SS**  trans-80123.7166.4-60.2170.6000106.1
465P49.9Very low47.1Very low108 Ų108140 Ų14070%0.70177%0.773SS**  trans-114.3122.715310.611000108.9A463 S467A463-P465 WeakPolarHBondContact O-CD 3.47Å; P465-S467 PolarHBondContact O-N 3.31Å
466D41.8Very low47.9Very low169 Ų169136.9 Ų136.990%0.90475%0.748SS**  trans-37102.4160.2-110.9-32.8000111.1R468D466-R468 PolarHBondContact O-N 2.91Å
467S45.4Very low48.6Very low111 Ų111134.2 Ų134.278%0.77673%0.733SS**  trans-94.787.8168.954.10000108.4P465P465-S467 PolarHBondContact O-N 3.31Å
468R47.5Very low49.2Very low227 Ų227133.7 Ų133.786%0.85773%0.726SS**  trans-61.9126.8151.5-109.4178.3176.1176.3-1.7106.9D466 D470D466-R468 PolarHBondContact O-N 2.91Å; R468-D470 PolarHBondContact O-N 2.99Å
469P51.5Low50.2Low118 Ų118137.1 Ų137.177%0.76673%0.731SS**  trans-69.3118167.73.211.3000107.1D471P469-D471 PolarHBondContact O-N 2.86Å
470D47.7Very low51.6Low140 Ų140139.4 Ų139.475%0.74972%0.723SS**  trans-59.3106.2168.2-76.5-47.9000108.8R468 I472R468-D470 PolarHBondContact O-N 2.99Å; D470-I472 PolarHBondContact O-N 3.28Å
471D51.1Low51.7Low150 Ų150134.5 Ų134.580%0.80270%0.703SS**THydrogen-bonded Turntrans-77.135.3179.9-133.8-5.6000111.5P469P469-D471 PolarHBondContact O-N 2.86Å
472I52.5Low52.1Low128 Ų128133.7 Ų133.766%0.65670%0.698SS**THydrogen-bonded Turntrans-108.7-10.6-169.2-67.2176.5000112.9D470D470-I472 PolarHBondContact O-N 3.28Å
473D51.8Low52.8Low101 Ų101132.8 Ų132.854%0.5469%0.688SS.*THydrogen-bonded Turntrans-97.52.4-172-106.6-17.2000116.2L475D473-L475 VanDerWaalsContact C-N 3.27Å; D473-L475 PolarHBondContact O-N 3.19Å
474S53.2Low53.3Low84 Ų84134.5 Ų134.559%0.58769%0.689SS**THydrogen-bonded Turntrans-77.5-8.7-179.4-54.40000114
475L52.3Low53.3Low150 Ų150136.2 Ų136.279%0.78569%0.686SS**THydrogen-bonded Turntrans-101.2-28.8173.1-13676.5000112.5D473 W477D473-L475 VanDerWaalsContact C-N 3.27Å; D473-L475 PolarHBondContact O-N 3.19Å; L475-W477 VanDerWaalsContact C-N 3.34Å; L475-W477 PolarHBondContact O-N 3.38Å
476E60.3Low53Low82 Ų82137.7 Ų137.738%0.38368%0.681SS.*Hα-helixtrans-71.7-22.9178.8-75.9-160.3178.700113.5W478 E479 K480E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 2.69Å; E476-E479 PolarHBondContact O-N 2.85Å; E476-K480 PolarHBondContact O-N 3.39Å; E476-K480 VanDerWaalsContact O-N 3.15Å; E476-K480 WeakPolarHBondContact OE2-CE 3.35Å; E476-K480 IonicContact OE2-NZ 2.86Å; E476-K480 PolarHBondContact OE2-NZ 2.99Å
477W62.3Low52.9Low130 Ų130135 Ų13549%0.49267%0.674SS.*Hα-helixtrans-68.9-29-178.292.9-84.2000113.3L475 E479L475-W477 VanDerWaalsContact C-N 3.34Å; L475-W477 PolarHBondContact O-N 3.38Å; W477-E479 VanDerWaalsContact C-N 3.34Å
478W57.5Low52.8Low181 Ų181138.7 Ų138.769%0.68668%0.678SS**Hα-helixtrans-72.1-30.6173.4-75.7107.4000111.7E476E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 2.69Å
479E67Low52.4Low169 Ų169133.2 Ų133.279%0.7967%0.67SS**Hα-helixtrans-81.3-20.4-178.3-153.5168.9-160.100112.6E476 W477E476-E479 PolarHBondContact O-N 2.85Å; W477-E479 VanDerWaalsContact C-N 3.34Å
480K71Confident51.7Low145 Ų145133.6 Ų133.663%0.6367%0.672SS**THydrogen-bonded Turntrans-96.813.4179.6-71.4177.7-173.6156.20115.1E476E476-K480 PolarHBondContact O-N 3.39Å; E476-K480 VanDerWaalsContact O-N 3.15Å; E476-K480 WeakPolarHBondContact OE2-CE 3.35Å; E476-K480 IonicContact OE2-NZ 2.86Å; E476-K480 PolarHBondContact OE2-NZ 2.99Å
481Q49.1Very low51.3Low96 Ų96131.6 Ų131.645%0.44967%0.67SS.*SBendtrans-63.4133.6173.6-71.1-63.8-4500110.5E483Q481-E483 PolarHBondContact O-N 2.93Å
482P52.4Low50.9Low89 Ų89129.6 Ų129.658%0.57866%0.663SS**  trans-56139.3176.922.8-31.5000109.6V484 Y485P482-V484 HydrophobicContact CB-CG2 4.49Å; P482-V484 PolarHBondContact O-N 3.46Å; P482-Y485 PolarHBondContact O-N 3.33Å
483E55.7Low49.9Very low147 Ų147130.3 Ų130.369%0.68768%0.676SS**G310 helixtrans-58.3-1-169.5-146.9153.2-143.900115.4Q481 Y485 K486Q481-E483 PolarHBondContact O-N 2.93Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3Å; E483-K486 HydrophobicContact CG-CD 4.07Å; E483-K486 IonicContact OE1-NZ 3.66Å; E483-K486 PolarHBondContact OE1-NZ 3.16Å
484V55.5Low49.5Very low127 Ų127129.9 Ų129.977%0.7768%0.681SS**G310 helixtrans-73.7-17179.4-167.10000112.9P482P482-V484 HydrophobicContact CB-CG2 4.49Å; P482-V484 PolarHBondContact O-N 3.46Å
485Y43.7Very low48.9Very low208 Ų208134.1 Ų134.182%0.81669%0.691SS**G310 helixtrans-116.315.4179.6-104.5-88000115.1P482 E483 P487P482-Y485 PolarHBondContact O-N 3.33Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3Å; Y485-P487 VanDerWaalsContact O-CD 3.26Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å
486K43.5Very low48.5Very low139 Ų139132.8 Ų132.860%0.60469%0.692SS**SBendtrans-66.8116.7161.5-80.6177.2-176.3165.80106.8E483 Q488E483-K486 HydrophobicContact CG-CD 4.07Å; E483-K486 IonicContact OE1-NZ 3.66Å; E483-K486 PolarHBondContact OE1-NZ 3.16Å; K486-Q488 PolarHBondContact O-N 2.9Å
487P40.5Very low47.5Very low114 Ų114135 Ų13574%0.7471%0.711SS**  trans-52.8125.8165.723-29.8000105.5Y485 T489Y485-P487 VanDerWaalsContact O-CD 3.26Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-T489 VanDerWaalsContact C-N 3.31Å; P487-T489 PolarHBondContact O-N 3.08Å
488Q42.4Very low46.5Very low188 Ų188134.4 Ų134.488%0.87972%0.724SS**  trans-49.5104.7176.4-80.3179.4-20.900106.9K486 P490K486-Q488 PolarHBondContact O-N 2.9Å; Q488-P490 WeakPolarHBondContact O-CD 3.23Å; Q488-P490 VanDerWaalsContact O-N 3.1Å
489T40.5Very low45.4Very low112 Ų112129.5 Ų129.569%0.68772%0.721SS**  trans-50.3120.4159.139.10000104.3P487 S491P487-T489 VanDerWaalsContact C-N 3.31Å; P487-T489 PolarHBondContact O-N 3.08Å; T489-S491 VanDerWaalsContact C-N 3.29Å; T489-S491 PolarHBondContact O-N 3.07Å
490P36Very low44Very low125 Ų125129 Ų12981%0.81272%0.723SS**  trans-56.6106.9173.721.9-29.1000105.6Q488 T492Q488-P490 WeakPolarHBondContact O-CD 3.23Å; Q488-P490 VanDerWaalsContact O-N 3.1Å; P490-T492 PolarHBondContact O-N 3.18Å
491S39.8Very low42.4Very low99 Ų99132.8 Ų132.869%0.69273%0.734SS**  trans-63.3135.4175.6-64.30000105.7T489T489-S491 VanDerWaalsContact C-N 3.29Å; T489-S491 PolarHBondContact O-N 3.07Å
492T41.9Very low41.6Very low107 Ų107136.8 Ų136.866%0.65675%0.75SS**  trans67112.9176.146.10000117.3P490 S494P490-T492 PolarHBondContact O-N 3.18Å; T492-S494 VanDerWaalsContact C-N 3.25Å; T492-S494 WeakPolarHBondContact CB-OG 3.33Å; T492-S494 PolarHBondContact O-N 3.48Å
493P32Very low40.7Very low143 Ų143139.4 Ų139.493%0.92976%0.759SS**SBendtrans-77.483.1160.633.2-27.2000107.4
494S42.1Very low39.9Very low92 Ų92137 Ų13764%0.64376%0.759SS**  trans-135.9917651.90000114.6T492T492-S494 VanDerWaalsContact C-N 3.25Å; T492-S494 WeakPolarHBondContact CB-OG 3.33Å; T492-S494 PolarHBondContact O-N 3.48Å
495E40.8Very low38.8Very low174 Ų174141.1 Ų141.181%0.81376%0.762SS**SBendtrans-130.3130164.6-84.1-175.3145.500109.8V497E495-V497 PolarHBondContact O-N 3.42Å
496P45.5Very low38.6Very low122 Ų122138.9 Ų138.979%0.79276%0.759SS**  trans-66.7111.1172.928.1-30.3000107.8P498P496-P498 WeakPolarHBondContact O-CD 3.46Å; P496-P498 VanDerWaalsContact O-N 3.16Å
497V38.3Very low38.3Very low128 Ų128137.8 Ų137.878%0.77677%0.765SS**  trans-48.2124157.9178.80000105.8E495 A499E495-V497 PolarHBondContact O-N 3.42Å; V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 3.13Å
498P41.6Very low38.1Very low118 Ų118142.8 Ų142.877%0.76677%0.77SS**  trans-56.4106.2176.1-19.429.6000106.5P496 L500P496-P498 WeakPolarHBondContact O-CD 3.46Å; P496-P498 VanDerWaalsContact O-N 3.16Å; P498-L500 PolarHBondContact O-N 3.39Å
499A35.1Very low37.8Very low77 Ų77141.7 Ų141.764%0.63677%0.77SS**  trans-49.3122.3167.900000104.8V497 R501V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 3.13Å; A499-R501 PolarHBondContact O-N 3.32Å
500L37.2Very low37.7Very low160 Ų160146.3 Ų146.384%0.83878%0.781SS**  trans-48.696.1156.4-87.2156.3000104.6P498 F502P498-L500 PolarHBondContact O-N 3.39Å; L500-F502 PolarHBondContact O-N 3.15Å
501R35.9Very low38Very low223 Ų223148.8 Ų148.884%0.84278%0.781SS**  trans-66.891.5178.2-85.4-177.5159.3156-4.8103.8A499 N503A499-R501 PolarHBondContact O-N 3.32Å; R501-N503 PolarHBondContact O-N 3.34Å; R501-N503 VanDerWaalsContact O-N 3.07Å
502F33.7Very low38Very low181 Ų181152.1 Ų152.179%0.79479%0.786SS**  trans-48.7118151.3-81.3-86.4000105.2L500 S504L500-F502 PolarHBondContact O-N 3.15Å; F502-S504 PolarHBondContact O-N 3.45Å
503N33.8Very low38.2Very low143 Ų143152.7 Ų152.777%0.76579%0.792SS**  trans-57.986.2178-74.1-41000108.4R501 Y505R501-N503 PolarHBondContact O-N 3.34Å; R501-N503 VanDerWaalsContact O-N 3.07Å; N503-Y505 PolarHBondContact O-N 3.41Å
504S37.3Very low38.6Very low98 Ų98152.9 Ų152.969%0.68578%0.784SS**  trans-64.292153.3560000104.9F502 H506F502-S504 PolarHBondContact O-N 3.45Å; S504-H506 PolarHBondContact O-N 3.03Å
505Y33.5Very low38.4Very low212 Ų212155.3 Ų155.383%0.83179%0.79SS**  trans-61.686.2168.3-121.2-94.7000107.2N503 P507N503-Y505 PolarHBondContact O-N 3.41Å; Y505-P507 WeakPolarHBondContact O-CD 3.43Å
506H39.4Very low38.3Very low162 Ų162153.7 Ų153.775%0.7579%0.786SS**  trans-87.7113.2159.6-97.8-41.5000107.1S504 R508S504-H506 PolarHBondContact O-N 3.03Å; H506-R508 PolarHBondContact O-N 2.83Å
507P37.8Very low38Very low115 Ų115157 Ų15775%0.74779%0.788SS**  trans-82.776.4171.733-29.9000108.3Y505Y505-P507 WeakPolarHBondContact O-CD 3.43Å
508R36.3Very low37.9Very low220 Ų220159.4 Ų159.483%0.8379%0.791SS**  trans-152.897.7163.6-82.4-163.1177.7-170.7-1.7107.5H506H506-R508 PolarHBondContact O-N 2.83Å
509D35.6Very low37.6Very low165 Ų165158.1 Ų158.188%0.88279%0.785SS**  trans-175.679.3151.9-82-24.5000105.8
510F38.8Very low37.5Very low208 Ų208163.1 Ų163.191%0.91280%0.795SS**  trans-109.7101.7156.5-104.6-83.6000105.9
511E42Very low37.3Very low177 Ų177161.6 Ų161.683%0.82779%0.792SS**  trans12.2111.9159.5-66.1176.7152.300117.2P513E511-P513 WeakPolarHBondContact O-CD 3.4Å
512E39.5Very low37.4Very low170 Ų170157.6 Ų157.679%0.79479%0.792SS**  trans-84.1119157.5-176175.7-155.400108.6
513P46.5Very low37.5Very low119 Ų119156 Ų15677%0.77379%0.792SS**  trans-85.4107.9160-1.220.4000108.3E511 D515E511-P513 WeakPolarHBondContact O-CD 3.4Å; P513-D515 PolarHBondContact O-N 3.2Å
514L39Very low37.4Very low147 Ų147155.8 Ų155.877%0.7780%0.796SS**  trans-59121.3158.3-70.9162.3000108.4
515D39Very low37.3Very low143 Ų143156 Ų15677%0.76580%0.797SS**  -179.5150.2116-113.8-27.1000114.2P513P513-D515 PolarHBondContact O-N 3.2Å
516L38.3Very low37.3Very low139 Ų139155.1 Ų155.173%0.72880%0.798SS**  trans75.2101.3160.3-88.776.3000119.9
517K38.4Very low37Very low192 Ų192154 Ų15484%0.83580%0.798SS**  18.2128.5120.6-62.6-178.4177.1-179.90114
518E37.2Very low36.8Very low179 Ų179156.1 Ų156.184%0.83680%0.803SS**  -179.4147.676.3-149.7157.8-160.200108.6
519S35.5Very low36.6Very low91 Ų91150.1 Ų150.164%0.63680%0.801SS**  trans-48.4141.4173.549.20000115.4
520Q33.3Very low36.6Very low182 Ų182153 Ų15385%0.8580%0.799SS**  173.7132.8107.2-97.6175.93.100112.3
521T33.3Very low36.6Very low127 Ų127148 Ų14878%0.77979%0.786SS**  trans-46.7141.4161.948.10000113.7
522V38.2Very low36.2Very low139 Ų139148.5 Ų148.584%0.84279%0.788SS**  -166.7127.6129.1165.10000108.7
523D33.9Very low36.1Very low148 Ų148148.9 Ų148.979%0.79179%0.79SS**  trans-47139.3166.1-84.3-51.8000113.3
524T33.4Very low35.8Very low139 Ų139147.1 Ų147.185%0.85378%0.78SS**  -172.4139.512018.40000111.9
525S34.6Very low35.6Very low101 Ų101147.2 Ų147.271%0.70678%0.78SS**  trans-60.4157.5175.156.90000115
526F32.9Very low35.5Very low194 Ų194146 Ų14685%0.85177%0.773SS**  trans124.4123.4145.7-102.7-94.2000116
527D33.9Very low35.5Very low140 Ų140147 Ų14775%0.74977%0.774SS**  trans-43130.8167.3-69.7-54.6000112.5
528D34Very low35.5Very low158 Ų158143.6 Ų143.685%0.84577%0.769SS**  177.3145.6108.1-101.4-32.6000111.5
529A31.6Very low35.6Very low95 Ų95144.9 Ų144.979%0.78578%0.775SS**  trans-65.4129.6-175.400000113.7
530W36.4Very low35.9Very low226 Ų226149.6 Ų149.686%0.85679%0.785SS**  trans-117.9121.2161.2-103.963.9000107.5
531V38.9Very low36.3Very low103 Ų103151.8 Ų151.862%0.62479%0.785SS**  57.192.475-176.30000109.2
532Q32.9Very low36.4Very low187 Ų187155.2 Ų155.287%0.87479%0.789SS**  68.186.683.1-162.9158.7-1.300113.9
533E38.1Very low36.2Very low178 Ų178154.2 Ų154.283%0.83279%0.788SS**  trans-141.2144.8155.1-86.4-177.1162.300104.5
534S38.9Very low36.4Very low82 Ų82156.2 Ų156.257%0.57379%0.793SS**  cis169.4144.1-3.1550000104
535I35.7Very low36.5Very low148 Ų148158.1 Ų158.176%0.75979%0.792SS**  trans70.4130.3138.6-61.8165.1000116
536D36.8Very low36.7Very low119 Ų119159.9 Ų159.964%0.63680%0.798SS**  cis-164.41608.7-119.7-18.1000109.7
537E38.7Very low37.1Very low160 Ų160159.4 Ų159.475%0.74880%0.796SS**  trans53.7133.8142.4-62.5-179.4156.600120.6
538T37.3Very low37.1Very low119 Ų119158.9 Ų158.973%0.7380%0.8SS**  cis-178.5108.19.526.30000105.9
539E40.1Very low37.5Very low206 Ų206161 Ų16196%0.96380%0.802SS**  trans-161.587.5149.1-118179.1-179.700109.8
540K41.6Very low37.9Very low191 Ų191168 Ų16883%0.8381%0.808SS**  trans-74.9127.4175.5-65172.1176.3168.40108.3
541R40.5Very low37.7Very low227 Ų227165 Ų16586%0.85781%0.807SS**  172.7118.8105.8-89.6158.5-173.9-161.42.6113.3
542K35.4Very low37.5Very low200 Ų200170.2 Ų170.287%0.8782%0.816SS**  trans77.874148.6-61.7-180177.5-179.40118.5
543S35.6Very low37.4Very low117 Ų117171.3 Ų171.382%0.81881%0.812SS**  trans-119.4105.9145.4580000108.9Q545S543-Q545 PolarHBondContact O-N 3.21Å
544H37.9Very low37.3Very low191 Ų191172.8 Ų172.888%0.88481%0.81SS**  trans-71.7128.1172.3-100.2-76.4000109.9
545Q34.2Very low36.8Very low179 Ų179179.4 Ų179.484%0.83682%0.823SS**  trans-51.5126.3179.2-67.3171.3-9.400113.8S543S543-Q545 PolarHBondContact O-N 3.21Å
546T39Very low37Very low138 Ų138176.9 Ų176.985%0.84782%0.819SS**  trans-109.3116.9150.520.50000108.4
547K42.1Very low36.9Very low183 Ų183180.2 Ų180.280%0.79682%0.823SS**  trans-58.7143.9177.2-64.7-179.1178.5-178.40110.9K549K547-K549 PolarHBondContact O-N 3.12Å; K547-K549 VanDerWaalsContact O-N 3.13Å
548P33.8Very low36.5Very low130 Ų130183.6 Ų183.684%0.84483%0.829SS**  trans-72.7109.4176.329.8-30.7000109.1R550P548-R550 PolarHBondContact O-N 2.99Å
549K42.2Very low36.4Very low203 Ų203182.7 Ų182.788%0.88383%0.827SS**  trans-77112.4170.5-85.7-178.1177.7174.80108.9K547 I551K547-K549 PolarHBondContact O-N 3.12Å; K547-K549 VanDerWaalsContact O-N 3.13Å; K549-I551 PolarHBondContact O-N 3.42Å
550R39.1Very low36.5Very low242 Ų242180.3 Ų180.391%0.91382%0.821SS**  trans-34.9118169-76.5176164.3174-5.9112.1P548 R552P548-R550 PolarHBondContact O-N 2.99Å; R550-R552 PolarHBondContact O-N 3.05Å
551I32.6Very low36.3Very low163 Ų163184.2 Ų184.284%0.83683%0.831SS**  trans-68.695.1168.2-61.8171.2000107.6K549 R553K549-I551 PolarHBondContact O-N 3.42Å; I551-R553 PolarHBondContact O-N 3.29Å
552R34.1Very low36.4Very low212 Ų212177 Ų17780%0.882%0.815SS**  trans-89.498.8169.6-152.2174-177173.41.6107.1R550 R554R550-R552 PolarHBondContact O-N 3.05Å; R552-R554 PolarHBondContact O-N 2.99Å; R552-R554 VanDerWaalsContact O-N 3.07Å
553R32.3Very low36.9Very low210 Ų210175.9 Ų175.979%0.79281%0.813SS**  trans-50.5112.2171.4-72.3178.7173.1174.9-2.6109.3I551I551-R553 PolarHBondContact O-N 3.29Å
554R35.9Very low37.7Very low208 Ų208174.8 Ų174.879%0.78580%0.798SS**  trans-118.8104.8158.5-75.8-167.3-176.2-145.12.1107.3R552 S556R552-R554 PolarHBondContact O-N 2.99Å; R552-R554 VanDerWaalsContact O-N 3.07Å; R554-S556 PolarHBondContact O-N 3.17Å
555Y28.5Very low38.3Very low221 Ų221174 Ų17487%0.86780%0.795SS**  trans-65105.2156.7-74.4-91.4000106.9
556S39.4Very low39.1Very low95 Ų95172.8 Ų172.866%0.66479%0.789SS**  trans-148.1104.9162.863.40000110.3R554R554-S556 PolarHBondContact O-N 3.17Å
557R33.5Very low40.1Very low189 Ų189169.9 Ų169.971%0.71377%0.771SS**  trans64.895.4136.9-148.1169-176.9171.4-1.3116.3S559R557-S559 PolarHBondContact O-N 2.96Å
558W31.9Very low41.1Very low232 Ų232166 Ų16688%0.87976%0.759SS**  trans-61.2109.6162.8-66-1.6000110
559S35.7Very low42.3Very low99 Ų99166.9 Ų166.969%0.69275%0.752SS**  trans179.487.7159.8-70.90000105.5R557R557-S559 PolarHBondContact O-N 2.96Å
560D42.3Very low43.2Very low156 Ų156160.6 Ų160.683%0.83473%0.734SS**  trans175.479.2158.8-86.9-16.6000107.1
561W35.4Very low44.1Very low274 Ų274154.9 Ų154.9100%1.03872%0.717SS**  trans-95.987.1153.8-75.675000105.1
562S44Very low45.8Very low74 Ų74154.7 Ų154.752%0.51771%0.71SS.*  trans-102.6142.2159.661.10000108.3D564S562-D564 PolarHBondContact O-N 3.03Å; S562-D564 PolarHBondContact OG-OD2 3.45Å
563E45.3Very low47.1Very low178 Ų178147.2 Ų147.283%0.83269%0.693SS**SBendtrans-64.941.4-176.3-65164.8144.100114.1
564D52.6Low48.3Very low94 Ų94143.1 Ų143.150%0.50368%0.684SS.*Hα-helixtrans-91.45.5-172.2-73.3-45.6000114.7S562 N568S562-D564 PolarHBondContact O-N 3.03Å; S562-D564 PolarHBondContact OG-OD2 3.45Å; D564-N568 PolarHBondContact O-ND2 3.45Å
565E50.7Low49.4Very low175 Ų175140.4 Ų140.482%0.81868%0.68SS**Hα-helixtrans-86-32.3171.6-79.9-159.2140.400113.5T567 N568 E569E565-T567 PolarHBondContact O-N 3.43Å; E565-N568 PolarHBondContact O-N 3.03Å; E565-E569 PolarHBondContact O-N 3.35Å
566E50.2Low50.9Low152 Ų152134 Ų13471%0.7167%0.667SS**Hα-helixtrans-71-29.6179.6-104.3-177.616100113.1S570E566-S570 WeakPolarHBondContact O-CB 3.43Å; E566-S570 PolarHBondContact O-N 3.47Å; E566-S570 PolarHBondContact O-OG 3.37Å
567T60.4Low51.6Low77 Ų77137.2 Ų137.247%0.47267%0.672SS.*Hα-helixtrans-78.6-29.6179.447.30000113E565 Q571E565-T567 PolarHBondContact O-N 3.43Å; T567-Q571 WeakPolarHBondContact O-CB 3.47Å; T567-Q571 PolarHBondContact O-N 2.86Å; T567-Q571 VanDerWaalsContact O-N 3.07Å
568N62.5Low52.5Low101 Ų101136.1 Ų136.154%0.5468%0.675SS.*Hα-helixtrans-77-34.3177.6-89.5-52.4000113.3D564 E565 K572D564-N568 PolarHBondContact O-ND2 3.45Å; E565-N568 PolarHBondContact O-N 3.03Å; N568-K572 PolarHBondContact O-N 3.13Å
569E60.1Low53.2Low150 Ų150127.9 Ų127.970%0.70166%0.662SS**Hα-helixtrans-72.3-37.3172.9-75-167.9143.600111.9E565 K572 A573E565-E569 PolarHBondContact O-N 3.35Å; E569-K572 PolarHBondContact O-N 2.88Å; E569-A573 PolarHBondContact O-N 2.93Å
570S60.6Low53.6Low71 Ų71130.7 Ų130.750%0.49767%0.669SS.*Hα-helixtrans-66.9-37.8175.9-57.80000113.1E566 A573 Q574E566-S570 WeakPolarHBondContact O-CB 3.43Å; E566-S570 PolarHBondContact O-N 3.47Å; E566-S570 PolarHBondContact O-OG 3.37Å; S570-A573 PolarHBondContact O-N 3.44Å; S570-Q574 PolarHBondContact O-N 2.97Å
571Q57.3Low53.5Low122 Ų122127.8 Ų127.857%0.5767%0.667SS**Hα-helixtrans-70.9-34.4174.8-84.6-173.8-4.700113.3T567 Q575T567-Q571 WeakPolarHBondContact O-CB 3.47Å; T567-Q571 PolarHBondContact O-N 2.86Å; T567-Q571 VanDerWaalsContact O-N 3.07Å; Q571-Q575 PolarHBondContact O-N 3Å; Q571-Q575 VanDerWaalsContact O-N 3.08Å
572K69.5Low53.8Low159 Ų159124.1 Ų124.169%0.69166%0.658SS**Hα-helixtrans-68.5-36.3173.3-92.8178.1175173.10112.3N568 E569 S576N568-K572 PolarHBondContact O-N 3.13Å; E569-K572 PolarHBondContact O-N 2.88Å; K572-S576 PolarHBondContact O-N 2.92Å
573A60.9Low53.7Low54 Ų54127.3 Ų127.345%0.44668%0.675SS.*Hα-helixtrans-64.6-42175.100000111.8E569 S570 S576 Q577E569-A573 PolarHBondContact O-N 2.93Å; S570-A573 PolarHBondContact O-N 3.44Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 3.39Å; A573-Q577 PolarHBondContact O-N 3.37Å
574Q58Low53.4Low125 Ų125128.2 Ų128.258%0.58468%0.679SS**Hα-helixtrans-69.5-39.1177-77.3-178.2-15.800113.6S570 S576 Q577 E578S570-Q574 PolarHBondContact O-N 2.97Å; Q574-S576 PolarHBondContact O-N 2.95Å; Q574-Q577 PolarHBondContact O-N 3.47Å; Q574-E578 PolarHBondContact O-N 2.91Å
575Q59.1Low52.6Low151 Ų151135 Ų13571%0.70670%0.698SS**Hα-helixtrans-64.5-25.4174.6-85.8-174.81.500113.5Q571Q571-Q575 PolarHBondContact O-N 3Å; Q571-Q575 VanDerWaalsContact O-N 3.08Å
576S58.8Low52.1Low86 Ų86131 Ų13160%0.60169%0.687SS**Hα-helixtrans-80-22.4176.971.80000113.8K572 A573 Q574K572-S576 PolarHBondContact O-N 2.92Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 3.39Å; Q574-S576 PolarHBondContact O-N 2.95Å
577Q55.6Low51.8Low162 Ų162133.5 Ų133.576%0.75770%0.696SS**Hα-helixtrans-85.5-29.8175.3-84.4-171.7-1600113.4A573 Q574 G579A573-Q577 PolarHBondContact O-N 3.37Å; Q574-Q577 PolarHBondContact O-N 3.47Å; Q577-G579 VanDerWaalsContact C-N 3.28Å; Q577-G579 PolarHBondContact O-N 2.79Å
578E51.7Low50.5Low166 Ų166138.8 Ų138.878%0.77672%0.715SS**G310 helixtrans-81-3.1178.8-73.2-17515000114.2Q574 N580Q574-E578 PolarHBondContact O-N 2.91Å; E578-N580 PolarHBondContact O-N 3.31Å
579G46.7Very low49.2Very low60 Ų60145.5 Ų145.562%0.61973%0.733SS**G310 helixtrans-77.4-8.2-179.400000116.5Q577Q577-G579 VanDerWaalsContact C-N 3.28Å; Q577-G579 PolarHBondContact O-N 2.79Å
580N44.7Very low48.2Very low157 Ų157143.9 Ų143.984%0.8474%0.735SS**G310 helixtrans-116.715-167.9-84.2-17000116.5E578E578-N580 PolarHBondContact O-N 3.31Å
581A39.2Very low47Very low95 Ų95146.7 Ų146.779%0.78575%0.752SS**  trans-12486175.500000112.2
582K41.3Very low46.3Very low197 Ų197146.5 Ų146.586%0.85776%0.764SS**  trans-137.297.8171.9-90.8-175.7178.3172.10111.7
583T42.1Very low44.6Very low142 Ų142146.2 Ų146.287%0.87177%0.77SS**  trans170.3119.6148.6210000104.8
584E39.7Very low43.3Very low197 Ų197153.7 Ų153.792%0.92179%0.793SS**  cis-154.7155.747.9-69177125.400111.6
585R34.9Very low42.1Very low235 Ų235151.7 Ų151.789%0.88780%0.797SS**  trans-106.9-174.9169.2-131.3-169.2169.3-179.8-1.1107.2
586P41.3Very low40.9Very low92 Ų92152.1 Ų152.160%0.59780%0.801SS**  cis-138.8172-21.329.6-7.8000114.3
587K42.8Very low39.9Very low205 Ų205153.3 Ų153.389%0.89181%0.81SS**  169141.1117-91.7171.4-177.2176.20114.2
588Q33.4Very low39Very low187 Ų187152.2 Ų152.287%0.87480%0.804SS**  trans-77.4158.6-172.1-62.2162.9-47.600114.7
589R35.5Very low38.3Very low242 Ų242152.7 Ų152.791%0.91380%0.804SS**  trans-156.7151.7131.2-107.4176.6-173.8-179.42.1112.1
590P39.3Very low38Very low117 Ų117159.9 Ų159.976%0.7682%0.818SS**  trans-98.8174.6-154.841.3-36.9000114.8
591P36Very low37.7Very low130 Ų130156.5 Ų156.584%0.84481%0.812SS**  trans-93.8160.7-16537.1-30.8000113.6
592S41Very low37.6Very low118 Ų118159.3 Ų159.383%0.82581%0.812SS**  trans-139.3131.9167.673.50000112.8
593D34Very low37.7Very low152 Ų152159.8 Ų159.881%0.81382%0.815SS**  trans-57.7151.1174.5-58.1-65.9000114.2
594F33.8Very low37.5Very low212 Ų212161 Ų16193%0.9381%0.81SS**  -165.4115.8128.3-124.4-92000111.6
595A32.4Very low37.6Very low82 Ų82161.9 Ų161.968%0.67881%0.805SS**  trans-88.3166.4170.800000111.7
596M35.5Very low37.9Very low160 Ų160159.3 Ų159.379%0.78880%0.8SS**  trans87.3118162.3-60.4-151.959.800119.4
597S37.9Very low37.7Very low111 Ų111164.7 Ų164.778%0.77682%0.815SS**  169.697.4118-169.50000109.7
598Q36.1Very low37.8Very low139 Ų139161 Ų16165%0.6581%0.811SS**  59.8117102.9-71.5-153.226.600118.4
599K36.2Very low38Very low176 Ų176162 Ų16277%0.76581%0.813SS**  trans55.9124.1130.7-73.6178.4174.4172.50120.5
600K41Very low38.2Very low211 Ų211155.3 Ų155.392%0.91781%0.809SS**  162.4154.1128.1-89.7163.4-177.8-179.10107.9
601A38.1Very low38.1Very low86 Ų86159.4 Ų159.471%0.71181%0.81SS**  cis-172.9131.9-24.800000105.7
602I37.8Very low38.1Very low154 Ų154158.2 Ų158.279%0.7981%0.811SS**  trans7.8128.5149.4-57.3159.7000117.7
603K42.1Very low38.1Very low208 Ų208160.4 Ų160.490%0.90481%0.806SS**  -160.5125.5129.4-108.3167.9-171.6179.30113.6
604E39Very low38.1Very low168 Ų168160.9 Ų160.979%0.78581%0.807SS**  trans-59.4158.3176-52.5166.4137.600113.6
605R42.2Very low38.3Very low214 Ų214158.9 Ų158.981%0.80880%0.798SS**  -179.1115.3118.3-96.7168.3175.4-162.2-0.1114.2
606K41.3Very low38.4Very low182 Ų182162.8 Ų162.879%0.79180%0.803SS**  trans76.4111.9132-62.8-179.9178.8-170.80121.6
607F35.4Very low38.5Very low205 Ų205159.4 Ų159.490%0.89980%0.795SS**  trans-79.1161.9151.7-83.1-91000112.3
608P44.8Very low38.5Very low126 Ų126161.7 Ų161.782%0.81879%0.793SS**  trans-123.8146.5137.332.9-20000113.8
609K38.4Very low38.6Very low208 Ų208161.8 Ų161.890%0.90479%0.793SS**  trans-85.8149178.3-71.7167.5170.3170.70112.3
610A39.6Very low38.5Very low102 Ų102158.8 Ų158.884%0.84379%0.79SS**  trans-161.6102.7143.200000107.1
611R36.4Very low38.4Very low204 Ų204158.3 Ų158.377%0.7779%0.788SS**  64.576.163.1-152.2-178.1-163.3177.96.5114.3
612A36.5Very low38.4Very low105 Ų105158 Ų15887%0.86879%0.786SS**  trans-80.6131.4155.500000109.8
613K42.4Very low38.4Very low163 Ų163158.1 Ų158.171%0.70979%0.788SS**  trans-119.7129.1172.3-90-169.3175.3-175.60110.2
614L32.6Very low38.4Very low163 Ų163155 Ų15585%0.85378%0.777SS**  trans-42.3144159.5-154.389.5000115.7
615K37.8Very low38.3Very low169 Ų169156.4 Ų156.474%0.73578%0.775SS**  trans166.1122131-95.5-178.3174.3-167.60111.3
616Q35.9Very low38.2Very low165 Ų165157.1 Ų157.177%0.77178%0.777SS**  63.1134103.1-83178.7-33.700113.1
617S37.1Very low37.9Very low89 Ų89154 Ų15462%0.62278%0.776SS**  cis175.6160.216.832.70000108.8
618Q37.2Very low37.9Very low158 Ų158149.9 Ų149.974%0.73877%0.768SS**  trans65.8148.3153.6-73.2171.3-52.100117.3
619E38.4Very low37.4Very low141 Ų141152.9 Ų152.966%0.65977%0.771SS**  cis-169.8136.612.2-124.6160.3-161.400110
620T35.4Very low37.2Very low114 Ų114151.4 Ų151.470%0.69977%0.767SS**  trans61144136.560.40000125.5
621K37.7Very low36.9Very low200 Ų200155.5 Ų155.587%0.8777%0.769SS**  trans88.9136.3155.4-53.5-165.8-178.6177.90116
622A38.5Very low37.2Very low80 Ų80152 Ų15266%0.66177%0.765SS**  cis-172.4154.8-7.200000106.8
623D38.3Very low37.1Very low156 Ų156156.7 Ų156.783%0.83477%0.769SS**  trans49.1135.6154.5-66.4-44.1000118.8
624E41.1Very low37Very low144 Ų144158.9 Ų158.967%0.67377%0.772SS**  -173.6133.252.9-153.3-176.4149.400110.1
625R38.3Very low37.4Very low196 Ų196160.5 Ų160.574%0.7478%0.776SS**  trans54.3115.6142.5-70.8175.4-176.5167-10.8123.8
626R39.3Very low37.2Very low229 Ų229158.3 Ų158.386%0.86478%0.777SS**  91.9145.9121.9-81.3-169.8-176.6176.51.6121.1
627P34.9Very low37.1Very low117 Ų117156.7 Ų156.776%0.7678%0.778SS**  trans-107.5152.8-163.839.8-26.6000113.6
628T36Very low37.1Very low119 Ų119158.5 Ų158.573%0.7379%0.786SS**  trans-157.9108.4175.3-0.70000105.1
629E34.7Very low37.2Very low189 Ų189158.8 Ų158.888%0.88379%0.791SS**  33.569.557.7-90.3-169165.400111.9
630Q32.9Very low37.5Very low177 Ų177159.6 Ų159.683%0.82779%0.794SS**  trans163.888.5152.4-93.1167.417.700109.9
631Q33.9Very low37.6Very low188 Ų188160.2 Ų160.288%0.87980%0.798SS**  trans178.8114160.4-105.8173.7-0.500104.2
632L41.5Very low38.3Very low131 Ų131159.3 Ų159.369%0.68680%0.797SS**  cis-1649125.5-166.676.8000107.7R634L632-R634 VanDerWaalsContact C-N 3.28Å; L632-R634 HydrophobicContact CD1-CB 4.4Å; L632-R634 HydrophobicContact CG-CB 3.96Å; L632-R634 PolarHBondContact O-N 2.75Å
633E35.1Very low38.6Very low203 Ų203163 Ų16395%0.94981%0.806SS**  trans-63.692.1153-72.1176.3148.200106.9
634R41.4Very low38.5Very low209 Ų209165.7 Ų165.779%0.78981%0.81SS**  trans-168.847.9174.4-120.1175.4-167.2175.83.7114.4L632L632-R634 VanDerWaalsContact C-N 3.28Å; L632-R634 HydrophobicContact CD1-CB 4.4Å; L632-R634 HydrophobicContact CG-CB 3.96Å; L632-R634 PolarHBondContact O-N 2.75Å
635E39.1Very low38.4Very low197 Ų197164.3 Ų164.392%0.92182%0.817SS**  trans-136.758.8163.6-84.9-174.9174.500110.6
636T34.4Very low38.8Very low123 Ų123160.1 Ų160.176%0.75582%0.817SS**  trans-140.7140.1158.348.50000106.1
637T34.3Very low38.7Very low131 Ų131157.2 Ų157.280%0.80481%0.814SS**  trans87.583.7172.880.10000117.9
638T37.4Very low39.2Very low127 Ų127157.2 Ų157.278%0.77981%0.811SS**  trans-153.790.3131.615.10000108E640T638-E640 PolarHBondContact O-N 3.45Å
639I39.6Very low39.9Very low164 Ų164157.9 Ų157.984%0.84181%0.81SS**  trans-80.594.2159.1-66.4168.7000104.1
640E44.2Very low40.4Very low158 Ų158157.5 Ų157.574%0.73881%0.806SS**  trans-84.9107.3163.3-73.2-175.3158.300107T638 E642T638-E640 PolarHBondContact O-N 3.45Å; E640-E642 PolarHBondContact O-N 2.59Å
641T37.9Very low41.7Very low127 Ų127155 Ų15578%0.77981%0.805SS**  trans-63.6102.5160.541.60000108.1
642E51.5Low42.4Very low180 Ų180152.9 Ų152.984%0.84180%0.8SS**  trans-109.5142160.6-74.2-160.6154.500110.1E640E640-E642 PolarHBondContact O-N 2.59Å
643D45.5Very low42.6Very low159 Ų159152 Ų15285%0.8580%0.802SS**  trans-73.2155.2-155.8-73.4-58000114.5
644F34.8Very low43.5Very low211 Ų211150.9 Ų150.993%0.92580%0.797SS**  trans-48.5147.1164.6-81-104.8000112.7
645S39.7Very low43.9Very low116 Ų116148.3 Ų148.381%0.81180%0.798SS**  trans122.184140.7-165.60000115.6
646S47.8Very low44.6Very low107 Ų107147 Ų14775%0.74880%0.797SS**  trans-164.4100.2139.251.80000112.1
647Q36.3Very low45Very low169 Ų169148.3 Ų148.379%0.7980%0.799SS**  trans24.3102.7130.9-158.11708.300117.4D649Q647-D649 PolarHBondContact NE2-OD2 3.34Å
648V45.2Very low45.7Very low117 Ų117151.4 Ų151.471%0.70981%0.805SS**  trans-122.297157-178.80000107.1F650V648-F650 HydrophobicContact CG1-CD2 4.49Å; V648-F650 HydrophobicContact CG1-CE2 4.19Å
649D49.9Very low45.8Very low133 Ų133154 Ų15471%0.71181%0.808SS**PPolyproline II helixtrans-67.9121.5170.1-80.5-49.9000109.6Q647Q647-D649 PolarHBondContact NE2-OD2 3.34Å
650F46.8Very low45.8Very low180 Ų180150.9 Ų150.979%0.78980%0.798SS**PPolyproline II helixtrans-93.7133.9164.8-81.9-91.4000108.6V648 D652V648-F650 HydrophobicContact CG1-CD2 4.49Å; V648-F650 HydrophobicContact CG1-CE2 4.19Å; F650-D652 PolarHBondContact O-N 3.03Å
651P58.5Low45.7Very low124 Ų124151.4 Ų151.481%0.80580%0.801SS**PPolyproline II helixtrans-73.9125.9-178.829.2-31.3000110.9
652D49.7Very low45.7Very low144 Ų144151.2 Ų151.277%0.7780%0.8SS**PPolyproline II helixtrans-75135.2173.1-141.6-3.6000109.6F650 E654F650-D652 PolarHBondContact O-N 3.03Å; D652-E654 PolarHBondContact O-N 3.09Å
653P45.5Very low45.2Very low113 Ų113147.9 Ų147.973%0.73480%0.797SS**  trans-83.392.5175.831.8-27.6000109.3L655P653-L655 PolarHBondContact O-N 2.84Å
654E53.8Low45.1Very low180 Ų180148.2 Ų148.284%0.84179%0.793SS**  trans-69.8129.4169.9-77.8-171.3148.200111.3D652D652-E654 PolarHBondContact O-N 3.09Å
655L49.8Very low45.6Very low154 Ų154146.8 Ų146.881%0.80679%0.789SS**  trans-66.3127.1168.6-73135.3000110.1P653P653-L655 PolarHBondContact O-N 2.84Å
656D54.1Low45.6Very low171 Ų171144.9 Ų144.991%0.91479%0.787SS**  trans-113.796.4161.7-92.4-37000109.3
657D43.6Very low45.3Very low149 Ų149151.7 Ų151.780%0.79780%0.796SS**  trans-118.891.8162.2-99.2-43000107
658E47.6Very low45.7Very low196 Ų196150.2 Ų150.292%0.91680%0.799SS**  trans-150.4104.9155.5-76.6-155.2120.700111.8
659Q40.1Very low45.8Very low181 Ų181150.3 Ų150.385%0.84680%0.802SS**  trans-67.5163.4147.7-122.1-172-22.400108.4
660P40.5Very low46.1Very low99 Ų99150.5 Ų150.564%0.64381%0.808SS**  cis-153.1-171.427.941.8-17.9000117.7
661Q41.1Very low46.3Very low169 Ų169154.5 Ų154.579%0.7983%0.829SS**  trans86.998.3153.6-69.818010.800121.3
662T37.5Very low45.7Very low124 Ų124156 Ų15676%0.76183%0.831SS**  27.4120.7123.952.80000119.8
663S41Very low45.5Very low110 Ų110156.6 Ų156.677%0.76983%0.834SS**  172.5125101.455.20000112.9
664E44.2Very low45.5Very low165 Ų165159.1 Ų159.177%0.77184%0.839SS**  trans59.3113.5137.5-64.4-169.4147.400123.2
665H45Very low45Very low182 Ų182157.8 Ų157.884%0.84384%0.839SS**  80.1121.1120.6-754.2000120.6
666G38.8Very low44.7Very low75 Ų75158.1 Ų158.177%0.77384%0.841SS**  trans148.776.3142.300000115.4
667R41.8Very low44.1Very low250 Ų250157.2 Ų157.294%0.94384%0.836SS**  trans-153.9121154.2-99-169.5-171.8-177.82.6112.4
668T45.1Very low44.1Very low138 Ų138157.8 Ų157.885%0.84784%0.839SS**  trans-162159.6141.935.60000107.2
669P46.7Very low43.9Very low119 Ų119154.8 Ų154.877%0.77383%0.833SS**  cis-133.7172.1-17.928.1-6.6000112.3
670T57.3Low44.2Very low137 Ų137152.7 Ų152.784%0.8483%0.832SS**  trans-109.5149.6159.5-27.70000107.7
671E51.4Low44.5Very low264 Ų264157.5 Ų157.5100%1.23485%0.849SS**  trans-42.50173.5-69.5173.7132.900115.7

Retrieved 671 of 671 residues in 180.4 ms (Link to these results)