A0A077ZGA3_TRITR Loading...

Homeobox protein ceh-38

AlphaFold DB , UniProt , Accession A0A077ZGA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low52.3Low245 Ų245146.8 Ų146.8100%1.20774%0.742SS**  016.10-65.1-153.9-63.100114.1
2R40Very low53.2Low246 Ų246145.2 Ų145.293%0.92872%0.72SS**  trans-98.74.1-171.9-151.8-176.8-99.3-163.6-3.9114.6
3E43.2Very low54.4Low188 Ų188143.4 Ų143.488%0.87971%0.709SS**SBendtrans-101.4-2.8-169.2-76.6-179.9155.700115.8
4L46Very low55.3Low139 Ų139136.3 Ų136.373%0.72868%0.684SS**SBendtrans-109.2-2.5-175-71170.7000115.4G6L4-G6 VanDerWaalsContact C-N 3.34Å
5D50.3Low56.5Low163 Ų163138.4 Ų138.487%0.87268%0.681SS**THydrogen-bonded Turntrans-88.4-1.4-177.5-114.7-7000113.9
6G48.7Very low57.4Low73 Ų73134.9 Ų134.975%0.75367%0.665SS**THydrogen-bonded Turntrans-96-3.3177.300000114.6L4 D8L4-G6 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.48Å
7D55.9Low58.3Low70 Ų70132.9 Ų132.937%0.37465%0.653SS.*SBendtrans-69.4107.9180-90.8-10.5000109.2S9D7-S9 PolarHBondContact O-N 3.32Å; D7-S9 VanDerWaalsContact O-N 3.09Å
8D58.9Low59.1Low105 Ų105130.7 Ų130.756%0.56165%0.645SS**  trans-38.6118.8173.4-123.4-29.1000108.7G6 R10 L11 R12G6-D8 PolarHBondContact O-N 3.48Å; D8-R10 CarbonylContact O-C 3.58Å; D8-R10 PolarHBondContact O-N 3.02Å; D8-L11 HydrophobicContact CB-CB 4.17Å; D8-L11 HydrophobicContact CB-CD1 3.89Å; D8-L11 HydrophobicContact CB-CG 4.05Å; D8-L11 WeakPolarHBondContact O-CA 3.11Å; D8-L11 WeakPolarHBondContact O-CB 3.13Å; D8-L11 PolarHBondContact O-N 3.31Å; D8-R12 PolarHBondContact O-N 3.14Å
9S60.9Low60Low76 Ų76128.1 Ų128.153%0.53164%0.637SS.*Hα-helixtrans-51.6-30.9-17449.30000112.1D7 E13D7-S9 PolarHBondContact O-N 3.32Å; D7-S9 VanDerWaalsContact O-N 3.09Å; S9-E13 VanDerWaalsContact O-CB 3.32Å; S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 PolarHBondContact O-N 3.34Å
10R66.7Low60.9Low199 Ų199126.6 Ų126.675%0.75163%0.63SS**Hα-helixtrans-68.2-40.9173.4-65.2-176.2174.3-173.5-0.3114.2D8 R12 A14D8-R10 CarbonylContact O-C 3.58Å; D8-R10 PolarHBondContact O-N 3.02Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.02Å
11L66.4Low61.4Low111 Ų111127 Ų12758%0.58163%0.625SS**Hα-helixtrans-67.1-39.9175.2-76.6172000110.5D8 A14 R15D8-L11 HydrophobicContact CB-CB 4.17Å; D8-L11 HydrophobicContact CB-CD1 3.89Å; D8-L11 HydrophobicContact CB-CG 4.05Å; D8-L11 WeakPolarHBondContact O-CA 3.11Å; D8-L11 WeakPolarHBondContact O-CB 3.13Å; D8-L11 PolarHBondContact O-N 3.31Å; L11-A14 PolarHBondContact O-N 3.39Å; L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å
12R62.8Low63.1Low127 Ų127118.4 Ų118.448%0.47959%0.588SS.*Hα-helixtrans-64.2-45.9175.5-169.1174.267.5-163.31.1111.4D8 R10 R15 I16D8-R12 PolarHBondContact O-N 3.14Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.27Å; R12-I16 WeakPolarHBondContact O-CG1 3.35Å; R12-I16 PolarHBondContact O-N 3.4Å
13E68.7Low64.7Low122 Ų122110.1 Ų110.157%0.5757%0.565SS**Hα-helixtrans-62.6-44.3176.3-171.3170.5-159.200111.9S9 R15 I16 E17S9-E13 VanDerWaalsContact O-CB 3.32Å; S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 PolarHBondContact O-N 3.34Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.17Å; E13-I16 PolarHBondContact O-N 3.21Å; E13-E17 PolarHBondContact O-N 3.33Å
14A67.6Low66.1Low44 Ų44104.3 Ų104.336%0.36454%0.542SS..Hα-helixtrans-62.6-37.7175.400000112.5R10 L11 N18R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.02Å; L11-A14 PolarHBondContact O-N 3.39Å; A14-N18 WeakPolarHBondContact O-CB 3.37Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.28Å
15R72.5Confident67.1Low168 Ų168101.5 Ų101.563%0.63453%0.528SS*.Hα-helixtrans-66.3-45.3175.8-165.7-178.6-74.8176.10.6110.6L11 R12 E13 N18 T19L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å; R12-R15 PolarHBondContact O-N 3.4Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.17Å; R15-N18 PolarHBondContact O-N 2.82Å; R15-T19 PolarHBondContact O-N 3.39Å; R15-T19 PolarHBondContact O-OG1 3.28Å
16I71.6Confident67.9Low82 Ų8299.7 Ų99.742%0.42151%0.514SS..Hα-helixtrans-61.4-47.2176.1-67.5164.6000110.7R12 E13 N18 T19 I20R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.27Å; R12-I16 WeakPolarHBondContact O-CG1 3.35Å; R12-I16 PolarHBondContact O-N 3.4Å; E13-I16 PolarHBondContact O-N 3.21Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.46Å; I16-T19 PolarHBondContact O-N 3.47Å; I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.36Å; I16-I20 PolarHBondContact O-N 3.2Å
17E71.7Confident68.6Low101 Ų101100 Ų10047%0.47250%0.502SS..Hα-helixtrans-60.4-41.6177.7-84.2-158.1159.300112.8E13 I20 R21E13-E17 PolarHBondContact O-N 3.33Å; E17-I20 PolarHBondContact O-N 3.21Å; E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 IonicContact OE2-NH2 3.28Å; E17-R21 PolarHBondContact OE2-NH2 3.43Å
18N73.8Confident68.6Low93 Ų93102.5 Ų102.550%0.49751%0.506SS..Hα-helixtrans-66.4-40.3177.5-79.6-14000111.3A14 R15 I16 R21 S22A14-N18 WeakPolarHBondContact O-CB 3.37Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.28Å; R15-N18 PolarHBondContact O-N 2.82Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.46Å; N18-R21 PolarHBondContact O-N 3.13Å; N18-S22 WeakPolarHBondContact O-CB 3.29Å; N18-S22 PolarHBondContact O-N 2.83Å
19T75.4Confident68.6Low81 Ų81103.7 Ų103.750%0.49751%0.506SS..Hα-helixtrans-63.4-46.3174.7-57.50000111.1R15 I16 R21 S22 V23R15-T19 PolarHBondContact O-N 3.39Å; R15-T19 PolarHBondContact O-OG1 3.28Å; I16-T19 PolarHBondContact O-N 3.47Å; T19-R21 PolarHBondContact O-N 3.25Å; T19-S22 PolarHBondContact O-N 2.93Å; T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 WeakPolarHBondContact O-CG2 3.33Å; T19-V23 PolarHBondContact O-N 3.2Å
20I78Confident68.6Low98 Ų98104.2 Ų104.250%0.50352%0.515SS..Hα-helixtrans-60.2-46.3177.5-68.3168.7000110.4I16 E17 S22 V23 V24I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.36Å; I16-I20 PolarHBondContact O-N 3.2Å; E17-I20 PolarHBondContact O-N 3.21Å; I20-S22 PolarHBondContact O-N 3.34Å; I20-V23 PolarHBondContact O-N 3.11Å; I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.26Å; I20-V24 PolarHBondContact O-N 3.24Å
21R72.3Confident68Low137 Ų13799 Ų9952%0.51751%0.508SS..Hα-helixtrans-59.6-46.4176.2-87.3-176.8-97.4170.4-8.7111.8E17 N18 T19 V23 V24 D25E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 IonicContact OE2-NH2 3.28Å; E17-R21 PolarHBondContact OE2-NH2 3.43Å; N18-R21 PolarHBondContact O-N 3.13Å; T19-R21 PolarHBondContact O-N 3.25Å; R21-V23 VanDerWaalsContact C-N 3.35Å; R21-V23 PolarHBondContact O-N 3.34Å; R21-V24 PolarHBondContact O-N 3.4Å; R21-D25 WeakPolarHBondContact O-CB 3.18Å; R21-D25 PolarHBondContact O-N 2.87Å
22S74.2Confident67.5Low63 Ų63100.7 Ų100.744%0.44151%0.511SS..Hα-helixtrans-59.9-43.2178-176.30000112.5N18 T19 I20 D25 Q26N18-S22 WeakPolarHBondContact O-CB 3.29Å; N18-S22 PolarHBondContact O-N 2.83Å; T19-S22 PolarHBondContact O-N 2.93Å; I20-S22 PolarHBondContact O-N 3.34Å; S22-D25 PolarHBondContact O-N 3.31Å; S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 3.11Å
23V72.7Confident66.8Low73 Ų7398.2 Ų98.244%0.44253%0.525SS..Hα-helixtrans-67.9-42.3177.8173.50000110.7T19 I20 R21 D25 Q26 V27T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 WeakPolarHBondContact O-CG2 3.33Å; T19-V23 PolarHBondContact O-N 3.2Å; I20-V23 PolarHBondContact O-N 3.11Å; R21-V23 VanDerWaalsContact C-N 3.35Å; R21-V23 PolarHBondContact O-N 3.34Å; V23-D25 VanDerWaalsContact C-N 3.3Å; V23-D25 PolarHBondContact O-N 2.93Å; V23-Q26 PolarHBondContact O-N 3.13Å; V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CB 3.27Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.33Å; V23-V27 PolarHBondContact O-N 2.85Å
24V72.4Confident65.5Low65 Ų6595.6 Ų95.639%0.39452%0.52SS..Hα-helixtrans-61.6-40.8175.6169.50000111.1I20 R21 V27 R28I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.26Å; I20-V24 PolarHBondContact O-N 3.24Å; R21-V24 PolarHBondContact O-N 3.4Å; V24-V27 PolarHBondContact O-N 2.95Å; V24-R28 WeakPolarHBondContact O-CB 3.46Å; V24-R28 WeakPolarHBondContact O-CG 3.26Å; V24-R28 PolarHBondContact O-N 3.24Å
25D68.5Low64.2Low80 Ų8097.9 Ų97.943%0.42853%0.531SS..Hα-helixtrans-69.2-38.4177.3-76.1-17.1000112R21 S22 V23 R28 K29R21-D25 WeakPolarHBondContact O-CB 3.18Å; R21-D25 PolarHBondContact O-N 2.87Å; S22-D25 PolarHBondContact O-N 3.31Å; V23-D25 VanDerWaalsContact C-N 3.3Å; V23-D25 PolarHBondContact O-N 2.93Å; D25-R28 PolarHBondContact O-N 3.44Å; D25-K29 WeakPolarHBondContact O-CB 2.92Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.27Å; D25-K29 PolarHBondContact O-N 3.13Å
26Q66.2Low62.7Low125 Ų12594.3 Ų94.358%0.58453%0.528SS*.Hα-helixtrans-62.3-46.7171.8-88-179-16.600111.6S22 V23 R28 K29 A30S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 3.11Å; V23-Q26 PolarHBondContact O-N 3.13Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.98Å; Q26-K29 PolarHBondContact O-N 2.71Å; Q26-A30 WeakPolarHBondContact O-CB 3.35Å; Q26-A30 PolarHBondContact O-N 3.46Å
27V62.9Low61.1Low81 Ų8199.9 Ų99.949%0.49154%0.544SS..Hα-helixtrans-63.6-40.7177172.70000110.5V23 V24 A30 C31V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CB 3.27Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.33Å; V23-V27 PolarHBondContact O-N 2.85Å; V24-V27 PolarHBondContact O-N 2.95Å; V27-A30 PolarHBondContact O-N 2.92Å; V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.45Å; V27-C31 PolarHBondContact O-N 3.16Å; V27-C31 PolarHBondContact O-SG 3.39Å
28R56Low59.7Low122 Ų122103.3 Ų103.346%0.4656%0.559SS.*Hα-helixtrans-63.1-44.7174.7-84.9-174.9-171.1177.23.6112V24 D25 Q26 A30 C31 F32V24-R28 WeakPolarHBondContact O-CB 3.46Å; V24-R28 WeakPolarHBondContact O-CG 3.26Å; V24-R28 PolarHBondContact O-N 3.24Å; D25-R28 PolarHBondContact O-N 3.44Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.98Å; R28-A30 VanDerWaalsContact C-N 3.34Å; R28-C31 PolarHBondContact O-N 3.09Å; R28-F32 HydrophobicContact CB-CD2 4.48Å; R28-F32 HydrophobicContact CG-CD2 4.44Å; R28-F32 WeakPolarHBondContact O-CB 3.38Å; R28-F32 WeakPolarHBondContact O-CD2 3.43Å; R28-F32 PolarHBondContact O-N 3.42Å
29K58.8Low57.8Low129 Ų129105.3 Ų105.356%0.56157%0.57SS**Hα-helixtrans-61.5-44.2176.5-78.1178.3179.3-178.30111.2D25 Q26 G33D25-K29 WeakPolarHBondContact O-CB 2.92Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.27Å; D25-K29 PolarHBondContact O-N 3.13Å; Q26-K29 PolarHBondContact O-N 2.71Å; K29-G33 WeakPolarHBondContact O-CA 3.26Å; K29-G33 PolarHBondContact O-N 2.97Å
30A60.6Low55.8Low88 Ų88108.5 Ų108.573%0.72758%0.579SS**Hα-helixtrans-66.1-41.4178.100000112.5Q26 V27 R28Q26-A30 WeakPolarHBondContact O-CB 3.35Å; Q26-A30 PolarHBondContact O-N 3.46Å; V27-A30 PolarHBondContact O-N 2.92Å; R28-A30 VanDerWaalsContact C-N 3.34Å
31C54.7Low53.4Low89 Ų89108.7 Ų108.760%0.60159%0.589SS**Hα-helixtrans-79.9-32.4-177.9-67.70000113.8V27 R28V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.45Å; V27-C31 PolarHBondContact O-N 3.16Å; V27-C31 PolarHBondContact O-SG 3.39Å; R28-C31 PolarHBondContact O-N 3.09Å
32F55.2Low51.4Low146 Ų146110.7 Ų110.764%0.6460%0.602SS**Hα-helixtrans-114.14.1-171.3-61.7-73.3000114R28 S34R28-F32 HydrophobicContact CB-CD2 4.48Å; R28-F32 HydrophobicContact CG-CD2 4.44Å; R28-F32 WeakPolarHBondContact O-CB 3.38Å; R28-F32 WeakPolarHBondContact O-CD2 3.43Å; R28-F32 PolarHBondContact O-N 3.42Å; F32-S34 PolarHBondContact O-N 3.49Å
33G48.4Very low49.2Very low75 Ų75112.2 Ų112.277%0.77361%0.613SS**SBendtrans60.5-217000000115.9K29K29-G33 WeakPolarHBondContact O-CA 3.26Å; K29-G33 PolarHBondContact O-N 2.97Å
34S40.9Very low47.3Very low68 Ų68116.2 Ų116.248%0.47663%0.631SS.*SBendtrans-152.1139.8-176.1179.60000108.8F32 V36F32-S34 PolarHBondContact O-N 3.49Å; S34-V36 PolarHBondContact O-N 2.94Å
35P41Very low45.3Very low91 Ų91119.7 Ų119.759%0.59165%0.647SS**  trans-55.8116.8162.325.6-31.3000107R37P35-R37 PolarHBondContact O-N 3.45Å
36V41Very low43.4Very low93 Ų93127.2 Ų127.256%0.56467%0.67SS**  trans-59.1107.1167.9177.20000104.8S34 E38S34-V36 PolarHBondContact O-N 2.94Å; V36-E38 PolarHBondContact O-N 2.78Å
37R37.3Very low41.6Very low200 Ų200128.3 Ų128.376%0.75568%0.679SS**  trans-53.6108.6169.3-90.6-179.6135.2169-2.2106.5P35 D39 Q40P35-R37 PolarHBondContact O-N 3.45Å; R37-D39 PolarHBondContact O-N 3.47Å; R37-Q40 PolarHBondContact O-N 3.05Å
38E43.1Very low40Very low172 Ų172130 Ų13080%0.80469%0.691SS**THydrogen-bonded Turntrans-63.2-4.5175.5-65.7-177.6145.800112.1V36 Q40V36-E38 PolarHBondContact O-N 2.78Å; E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 3.27Å
39D35.1Very low38.8Very low136 Ų136130.2 Ų130.273%0.72771%0.706SS**THydrogen-bonded Turntrans-78-5174.8-66.1-31.4000114.7R37 S41R37-D39 PolarHBondContact O-N 3.47Å; D39-S41 PolarHBondContact O-N 2.72Å
40Q32.9Very low37.3Very low147 Ų147129.4 Ų129.469%0.68771%0.714SS**  trans-77.479.8162.2-76.8-171.724.400108.5R37 E38 F42R37-Q40 PolarHBondContact O-N 3.05Å; E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 3.27Å; Q40-F42 VanDerWaalsContact C-N 3.26Å; Q40-F42 WeakPolarHBondContact O-CD2 3.24Å; Q40-F42 PolarHBondContact O-N 3.11Å
41S27.9Very low35.8Very low102 Ų102130.7 Ų130.771%0.71372%0.718SS**  trans-46.899.8153.232.70000107.5D39 S43D39-S41 PolarHBondContact O-N 2.72Å; S41-S43 PolarHBondContact O-N 3.48Å
42F28.6Very low34.5Very low179 Ų179133.4 Ų133.479%0.78573%0.725SS**  trans-59.397.9163.7-75.6-87.8000105.5Q40 L44Q40-F42 VanDerWaalsContact C-N 3.26Å; Q40-F42 WeakPolarHBondContact O-CD2 3.24Å; Q40-F42 PolarHBondContact O-N 3.11Å; F42-L44 PolarHBondContact O-N 2.87Å
43S28.7Very low33.3Very low96 Ų96131 Ų13167%0.67173%0.725SS**  trans-53.995.7153.2-61.90000104.4S41 N45S41-S43 PolarHBondContact O-N 3.48Å; S43-N45 PolarHBondContact O-N 2.8Å
44L33.9Very low32.6Very low156 Ų156135.9 Ų135.982%0.81773%0.727SS**  trans-58.983.9162.2-83.9160.5000104.3F42 R46F42-L44 PolarHBondContact O-N 2.87Å; L44-R46 PolarHBondContact O-N 3.49Å
45N29.7Very low32.2Very low138 Ų138140.3 Ų140.374%0.73875%0.746SS**  trans-55.593.5155.3-79.6-30.1000102.9S43 L47S43-N45 PolarHBondContact O-N 2.8Å; N45-L47 PolarHBondContact O-N 2.98Å
46R27.5Very low31.8Very low238 Ų238143.4 Ų143.490%0.89876%0.756SS**  trans-57.179.6162.1-85-178.9168.3179.6-3.1104.9L44 P48L44-R46 PolarHBondContact O-N 3.49Å; R46-P48 WeakPolarHBondContact O-CD 3.31Å
47L29.2Very low31.3Very low148 Ų148144.5 Ų144.578%0.77576%0.763SS**PPolyproline II helixtrans-58.4119153.5-76.9167.7000104N45 V49N45-L47 PolarHBondContact O-N 2.98Å; L47-V49 PolarHBondContact O-N 3.28Å
48P29.7Very low30.9Very low116 Ų116141.2 Ų141.275%0.75376%0.76SS**PPolyproline II helixtrans-57.4119.8-18021.3-29.4000107.3R46R46-P48 WeakPolarHBondContact O-CD 3.31Å
49V29.5Very low30.4Very low127 Ų127142.3 Ų142.377%0.7777%0.766SS**PPolyproline II helixtrans-54129.9172.4176.50000106.5L47 S51L47-V49 PolarHBondContact O-N 3.28Å; V49-S51 PolarHBondContact O-N 3.18Å
50P28.4Very low30.2Very low112 Ų112146.4 Ų146.473%0.72777%0.771SS**PPolyproline II helixtrans-51.2120.5175.8-22.630.7000108.5L52P50-L52 PolarHBondContact O-N 2.81Å
51S29.3Very low29.9Very low115 Ų115145.1 Ų145.180%0.80478%0.777SS**  trans-54.3109.5174.340.90000108.3V49V49-S51 PolarHBondContact O-N 3.18Å
52L28Very low30Very low146 Ų146147.5 Ų147.576%0.76478%0.78SS**  trans-55136167.1-95.9149.1000107.8P50 E54P50-L52 PolarHBondContact O-N 2.81Å; L52-E54 PolarHBondContact O-N 3.38Å
53P29.6Very low29.9Very low97 Ų97143.9 Ų143.963%0.6378%0.775SS**  trans-56.2126.7178.720.7-31.2000110.1N55P53-N55 PolarHBondContact O-N 3.11Å
54E33.3Very low30Very low177 Ų177147.6 Ų147.683%0.82779%0.786SS**G310 helixtrans-61.1-1-171.4-70.2178.3139.600115.1L52 L56L52-E54 PolarHBondContact O-N 3.38Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.09Å
55N33.4Very low29.7Very low161 Ų161144.8 Ų144.886%0.86178%0.779SS**G310 helixtrans-82.810.2-175.4-73.1-18.1000115.4P53P53-N55 PolarHBondContact O-N 3.11Å
56L32Very low29.9Very low155 Ų155143.9 Ų143.981%0.81278%0.781SS**G310 helixtrans-116.212.3176.5-79.2167.8000113.9E54 D58E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.09Å; L56-D58 PolarHBondContact O-N 3.25Å
57V29.9Very low29.8Very low116 Ų116139 Ų13970%0.70377%0.773SS**  trans-88.288.7171.1-169.40000108.1E59V57-E59 PolarHBondContact O-N 3.25Å; V57-E59 VanDerWaalsContact O-N 3.15Å
58D29.6Very low29.6Very low131 Ų131143.2 Ų143.270%0.70178%0.779SS**  trans-53.5114.9169.1-147.5-21.2000108.7L56 R60L56-D58 PolarHBondContact O-N 3.25Å; D58-R60 PolarHBondContact O-N 3.18Å
59E32.3Very low29.7Very low196 Ų196144.1 Ų144.192%0.91678%0.777SS**THydrogen-bonded Turntrans-6625.3-171-78.3-145.7141.400115.1V57V57-E59 PolarHBondContact O-N 3.25Å; V57-E59 VanDerWaalsContact O-N 3.15Å
60R31.1Very low29.4Very low221 Ų221141.9 Ų141.983%0.83478%0.779SS**THydrogen-bonded Turntrans-1052.9-178.4-66.9-167.4174.2-168.40.3115.2D58 I62D58-R60 PolarHBondContact O-N 3.18Å; R60-I62 PolarHBondContact O-N 2.85Å; R60-I62 VanDerWaalsContact O-N 3.12Å
61C26.5Very low29.2Very low121 Ų121141.3 Ų141.382%0.81878%0.784SS**  trans-84.488.3172.4-72.10000110.3
62I29.4Very low29Very low151 Ų151140.2 Ų140.277%0.77478%0.782SS**  trans-47.9127.8167.6-61.1170.1000108.7R60 L64R60-I62 PolarHBondContact O-N 2.85Å; R60-I62 VanDerWaalsContact O-N 3.12Å; I62-L64 PolarHBondContact O-N 3.08Å; I62-L64 VanDerWaalsContact O-N 3.12Å
63P27.5Very low28.9Very low104 Ų104137.6 Ų137.668%0.67578%0.782SS**  trans-64.3116.4-177.223.9-32000109.9S65P63-S65 PolarHBondContact O-N 2.67Å
64L30.6Very low28.7Very low174 Ų174139 Ų13991%0.91179%0.788SS**  trans-67.586.4162.7-73.4167.6000107.4I62I62-L64 PolarHBondContact O-N 3.08Å; I62-L64 VanDerWaalsContact O-N 3.12Å
65S27.9Very low28.5Very low97 Ų97135.9 Ų135.968%0.67878%0.783SS**  trans-49.3124.2172.6-62.70000109.5P63 N67P63-S65 PolarHBondContact O-N 2.67Å; S65-N67 PolarHBondContact O-N 3.3Å
66P33.3Very low28.2Very low119 Ų119139.6 Ų139.677%0.77379%0.785SS**  trans-70.1108.9-179.427.4-30.1000107.6R68P66-R68 PolarHBondContact O-N 2.86Å
67N26.2Very low28Very low136 Ų136139.5 Ų139.573%0.72779%0.786SS**  trans-68.589.5177.6-161.7-14.4000109.2S65 N69S65-N67 PolarHBondContact O-N 3.3Å; N67-N69 PolarHBondContact O-N 2.78Å; N67-N69 PolarHBondContact OD1-ND2 2.9Å
68R24.6Very low27.7Very low236 Ų236139.3 Ų139.389%0.89179%0.789SS**  trans-78.961.7177.6-164.8-175.3-177.9-172.40.5108.9P66P66-R68 PolarHBondContact O-N 2.86Å
69N30.3Very low27.6Very low134 Ų134144.5 Ų144.572%0.71780%0.799SS**  trans-98.189.3167.1-80.6-11.9000108.8N67 A71N67-N69 PolarHBondContact O-N 2.78Å; N67-N69 PolarHBondContact OD1-ND2 2.9Å; N69-A71 PolarHBondContact O-N 2.74Å
70G23.9Very low27.3Very low80 Ų80140.4 Ų140.483%0.82579%0.79SS**  trans-62.999.9156.900000108.7
71A24.5Very low27.1Very low100 Ų100138.3 Ų138.383%0.82679%0.794SS**  trans-97.686.615900000107N69N69-A71 PolarHBondContact O-N 2.74Å
72A25.4Very low27.2Very low93 Ų93138.8 Ų138.877%0.76979%0.793SS**  trans-76.6143.4160.800000108.7
73A25.5Very low27Very low91 Ų91137.1 Ų137.175%0.75280%0.795SS**  trans71102.316700000117.4
74V25.4Very low26.9Very low125 Ų125137 Ų13776%0.75880%0.797SS**  -149.4115.7115.5-176.50000108R76V74-R76 PolarHBondContact O-N 3.14Å
75P28.2Very low26.9Very low112 Ų112134.7 Ų134.773%0.72779%0.792SS**  trans-67.9111164.327.6-27.4000107.1D77P75-D77 PolarHBondContact O-N 2.86Å
76R27.4Very low26.8Very low240 Ų240136.1 Ų136.191%0.90680%0.797SS**  trans-72102.3177.4-85-159.6169.5169.8-0.8109.3V74 S78V74-R76 PolarHBondContact O-N 3.14Å; R76-S78 PolarHBondContact O-N 3.17Å
77D27.8Very low26.5Very low153 Ų153139.9 Ų139.982%0.81880%0.801SS**  trans-50.4131.6163-86.7-36.7000110.8P75 R79P75-D77 PolarHBondContact O-N 2.86Å; D77-R79 PolarHBondContact O-N 3.03Å
78S25.2Very low26.6Very low111 Ų111143 Ų14378%0.77681%0.809SS**  trans-56.6107.2168.241.70000111.8R76R76-S78 PolarHBondContact O-N 3.17Å
79R26.5Very low26.7Very low240 Ų240134.6 Ų134.691%0.90680%0.795SS**  trans-137.9145.2149.9-79.3-167.1178.8179.2-0.1111D77D77-R79 PolarHBondContact O-N 3.03Å
80P25.4Very low26.6Very low111 Ų111136 Ų13672%0.72180%0.802SS**  trans-90.5139.4-156.117.2-1.2000112.7T82P80-T82 PolarHBondContact O-N 2.74Å
81L27.2Very low26.9Very low176 Ų176140.7 Ų140.792%0.92181%0.805SS**  trans10.195.5147.2-59169.2000115.8
82T28.2Very low27Very low132 Ų132144.7 Ų144.781%0.8181%0.807SS**  trans-111.3113.4153.458.10000108.3P80P80-T82 PolarHBondContact O-N 2.74Å
83S25.6Very low27.2Very low115 Ų115148.1 Ų148.180%0.80481%0.811SS**  trans-46.7125.6172.248.40000113.6
84S25.9Very low27.3Very low102 Ų102148.8 Ų148.871%0.71381%0.808SS**  trans-154.5111.4152-57.20000108.4V86S84-V86 PolarHBondContact O-N 2.91Å
85P29.4Very low27.5Very low125 Ų125152.2 Ų152.281%0.81281%0.813SS**  trans-71.9112.317628.7-29.6000108.3F87P85-F87 PolarHBondContact O-N 3.18Å; P85-F87 VanDerWaalsContact O-N 3.12Å
86V27.7Very low27.4Very low128 Ų128151 Ų15178%0.77681%0.813SS**  trans-70.3108.5174.1178.90000107.3S84 F88S84-V86 PolarHBondContact O-N 2.91Å; V86-F88 PolarHBondContact O-N 2.91Å; V86-F88 VanDerWaalsContact O-N 3.12Å
87F25.1Very low27.4Very low197 Ų197144.8 Ų144.886%0.86481%0.812SS**  trans-48.6111.6168.8-112.3-102.9000109.2P85 G89P85-F87 PolarHBondContact O-N 3.18Å; P85-F87 VanDerWaalsContact O-N 3.12Å; F87-G89 PolarHBondContact O-N 2.72Å
88F29.5Very low27.4Very low203 Ų203143.6 Ų143.689%0.8981%0.811SS**  trans-75.6103.3166.5-108.8-95.9000106.9V86V86-F88 PolarHBondContact O-N 2.91Å; V86-F88 VanDerWaalsContact O-N 3.12Å
89G26.8Very low27.5Very low58 Ų58144.8 Ų144.860%0.59881%0.808SS**  trans-66.8136170.800000110.6F87 M91F87-G89 PolarHBondContact O-N 2.72Å; G89-M91 PolarHBondContact O-N 2.92Å
90D28.5Very low27.6Very low163 Ų163141.4 Ų141.487%0.87281%0.807SS**  trans-54.599.8169.6-64.2-52.8000110.1
91M30.4Very low27.7Very low179 Ų179144.5 Ų144.588%0.88281%0.812SS**  trans-91.3100.5161.8-82-152.5-68.800108G89 L93G89-M91 PolarHBondContact O-N 2.92Å; M91-L93 PolarHBondContact O-N 3.29Å
92E26.1Very low27.7Very low185 Ų185144.1 Ų144.186%0.86481%0.805SS**  trans-47123.3165.5-70.9-176.4134.300110.1P94E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.5Å
93L29.3Very low27.9Very low164 Ų164143 Ų14386%0.85980%0.8SS**  trans-75114.3173.2-81.8154.1000109.2M91 F95M91-L93 PolarHBondContact O-N 3.29Å; L93-F95 PolarHBondContact O-N 3.05Å
94P28.4Very low28Very low106 Ų106142.9 Ų142.969%0.68880%0.797SS**  trans-99.779.2175.935-21.7000108.5E92E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.5Å
95F28.8Very low28Very low196 Ų196145.4 Ų145.486%0.8680%0.802SS**  trans-134.888.4160-77.1-72.8000108.8L93L93-F95 PolarHBondContact O-N 3.05Å
96A25.4Very low28.1Very low88 Ų88146.1 Ų146.173%0.72780%0.803SS**  trans-53.9136.1168.500000110.3T98A96-T98 PolarHBondContact O-N 2.78Å
97A28.1Very low28.2Very low108 Ų108146.3 Ų146.389%0.89380%0.8SS**  trans-64.798.217200000110
98T28.7Very low28.3Very low129 Ų129142.5 Ų142.579%0.79179%0.793SS**  trans-93.7111.8167.938.30000110.7A96A96-T98 PolarHBondContact O-N 2.78Å
99D27.4Very low28.2Very low136 Ų136136.2 Ų136.273%0.72779%0.785SS**  trans50.9114.2145.1-84.5-42.3000121.3H101D99-H101 PolarHBondContact O-N 3.45Å; D99-H101 VanDerWaalsContact O-N 3.13Å
100L27.3Very low28.1Very low168 Ų168140.9 Ų140.988%0.8880%0.796SS**  trans-54.8104157.1-77.791.8000110.7
101H28.5Very low28.1Very low176 Ų176138.9 Ų138.982%0.81579%0.79SS**  trans-95.396.2154.6-82.7-75.3000109.2D99D99-H101 PolarHBondContact O-N 3.45Å; D99-H101 VanDerWaalsContact O-N 3.13Å
102Q27.4Very low27.9Very low169 Ų169138.6 Ų138.679%0.7979%0.786SS**PPolyproline II helixtrans-63123.8168.1-163.7174.517.800108.8
103P30.5Very low27.9Very low107 Ų107138 Ų13870%0.69579%0.788SS**PPolyproline II helixtrans-70.7140.4177.126.9-31.7000110.3
104P28.2Very low27.8Very low114 Ų114134.7 Ų134.774%0.7478%0.778SS**PPolyproline II helixtrans-66134.1-178.324.9-32000111.6V106P104-V106 PolarHBondContact O-N 3.39Å
105L27.2Very low27.8Very low155 Ų155135.7 Ų135.781%0.81279%0.785SS**PPolyproline II helixtrans-55.1116.4166.1-92.878.5000108.6
106V31.6Very low27.7Very low139 Ų139135 Ų13584%0.84279%0.786SS**  trans-92.1109166.5-165.20000106.2P104P104-V106 PolarHBondContact O-N 3.39Å
107D29.7Very low27.7Very low133 Ų133134.9 Ų134.971%0.71179%0.785SS**  trans-57.6139.4179.2-81.6-43.9000112.3G109D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.11Å
108T27.2Very low27.8Very low117 Ų117137.8 Ų137.872%0.71879%0.785SS**  trans-21.998.6160.435.60000115.9L110T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.23Å
109G25.5Very low27.6Very low70 Ų70137.3 Ų137.372%0.72279%0.785SS**  trans-86.658.7158.600000111.8D107 T111D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.11Å; G109-T111 PolarHBondContact O-N 3.26Å; G109-T111 VanDerWaalsContact O-N 3.13Å
110L26.7Very low27.5Very low157 Ų157134 Ų13482%0.82278%0.782SS**  trans-82.563.6168.4-79.5170.3000109.6T108 Q112T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.23Å; L110-Q112 PolarHBondContact O-N 2.9Å
111T26.7Very low27.6Very low121 Ų121134.7 Ų134.774%0.74279%0.786SS**  trans-89.692.2167.743.80000109.2G109 L113G109-T111 PolarHBondContact O-N 3.26Å; G109-T111 VanDerWaalsContact O-N 3.13Å; T111-L113 PolarHBondContact O-N 3.46Å
112Q26.6Very low27.4Very low172 Ų172134.4 Ų134.480%0.80479%0.787SS**  trans23.486.4133.2-55.9-172.728.500115.6L110L110-Q112 PolarHBondContact O-N 2.9Å
113L27.2Very low27.3Very low172 Ų172134.7 Ų134.790%0.90179%0.788SS**  trans-10487.8149.8-69179.2000106.9T111T111-L113 PolarHBondContact O-N 3.46Å
114S26.5Very low27.2Very low95 Ų95134.9 Ų134.966%0.66479%0.789SS**  trans-50.7134.5168.5-57.70000109.7M116S114-M116 PolarHBondContact O-N 3.1Å
115P29.5Very low27.3Very low127 Ų127135.5 Ų135.583%0.82579%0.793SS**  trans-63.6105.617724.1-30.7000108.7A117P115-A117 VanDerWaalsContact C-N 3.33Å; P115-A117 PolarHBondContact O-N 3.03Å
116M26.3Very low27.2Very low181 Ų181133 Ų13389%0.89279%0.789SS**  trans-68.796.2174.9-148.916775.100107.1S114 L118S114-M116 PolarHBondContact O-N 3.1Å; M116-L118 PolarHBondContact O-N 3.38Å; M116-L118 VanDerWaalsContact O-N 3.09Å
117A25.6Very low26.8Very low86 Ų86132.3 Ų132.371%0.71179%0.79SS**  trans-54.7112.2170.500000108.3P115 P119P115-A117 VanDerWaalsContact C-N 3.33Å; P115-A117 PolarHBondContact O-N 3.03Å; A117-P119 WeakPolarHBondContact O-CD 3.28Å
118L28.5Very low26.6Very low169 Ų169130.7 Ų130.789%0.88579%0.789SS**  trans-78.6109.4164.7-99.2156000107.3M116M116-L118 PolarHBondContact O-N 3.38Å; M116-L118 VanDerWaalsContact O-N 3.09Å
119P25.7Very low26.4Very low120 Ų120136.6 Ų136.678%0.77980%0.798SS**  trans-87131.2171.28.313.5000108.1A117A117-P119 WeakPolarHBondContact O-CD 3.28Å
120G24.5Very low26.4Very low65 Ų65140 Ų14067%0.6780%0.799SS**  trans104.274.7158.800000116
121L29.4Very low26.3Very low184 Ų184138.8 Ų138.896%0.96379%0.793SS**  trans-130.762.5135.8-86.6171.2000108.2Q123L121-Q123 PolarHBondContact O-N 2.98Å
122M24.4Very low26.2Very low169 Ų169138.7 Ų138.783%0.83380%0.797SS**  trans-76.798.6156.3-76.9-112.781.500107.5
123Q26.1Very low26.1Very low176 Ų176138.1 Ų138.182%0.82280%0.799SS**  trans-174.2105.4138.6-112.5174.1-24.400109.7L121 P125L121-Q123 PolarHBondContact O-N 2.98Å; Q123-P125 WeakPolarHBondContact O-CD 3.48Å
124P28.3Very low26Very low111 Ų111134.8 Ų134.872%0.72179%0.787SS**  trans-65.7123160.226.3-29.4000107.8S126P124-S126 PolarHBondContact O-N 2.86Å
125P31.3Very low25.9Very low126 Ų126135.6 Ų135.682%0.81880%0.8SS**  trans-62.4113.8170.723.5-29.4000108.3Q123 S127Q123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-S127 PolarHBondContact O-N 2.96Å
126S24.9Very low25.7Very low104 Ų104133.6 Ų133.673%0.72779%0.789SS**  trans-50.8130.2167.544.70000111P124 S128P124-S126 PolarHBondContact O-N 2.86Å; S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 VanDerWaalsContact O-N 3.17Å
127S22.1Very low25.6Very low124 Ų124131.8 Ų131.887%0.86779%0.788SS**  trans-13.2104.7153.5-176.20000114.3P125P125-S127 PolarHBondContact O-N 2.96Å
128S26.6Very low25.6Very low98 Ų98136 Ų13669%0.68580%0.797SS**  trans-126.2112.2161.160.80000108.6S126 I130S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 VanDerWaalsContact O-N 3.17Å; S128-I130 PolarHBondContact O-N 3.08Å
129R21.6Very low25.3Very low241 Ų241131.1 Ų131.191%0.90979%0.788SS**  trans-28.7118.8160.5-64.4168.7173.6177.6-3.9111.7
130I25.8Very low25.2Very low143 Ų143130.1 Ų130.173%0.73378%0.784SS**  trans-13598.9155.1-58.5180000106.6S128S128-I130 PolarHBondContact O-N 3.08Å
131D25.6Very low25.3Very low131 Ų131131.7 Ų131.770%0.70178%0.782SS**  trans38.6108.1132.1-57.7-36000117.6L133D131-L133 PolarHBondContact O-N 2.81Å
132S23Very low25.2Very low118 Ų118132.2 Ų132.283%0.82578%0.777SS**  trans-19.8101.4143.751.40000113.4
133L25.2Very low25.2Very low161 Ų161128.4 Ų128.484%0.84377%0.767SS**  trans-77.5140.1155.3-74.3173.5000108.6D131 A135D131-L133 PolarHBondContact O-N 2.81Å; L133-A135 PolarHBondContact O-N 2.79Å
134P24.8Very low25Very low102 Ų102125.4 Ų125.466%0.66277%0.765SS**  trans-70.1123.2-165.727.4-33.3000111.1S136P134-S136 PolarHBondContact O-N 2.97Å
135A25.4Very low24.8Very low112 Ų112126.5 Ų126.593%0.92677%0.77SS**SBendtrans-67.572.3165.600000109.7L133L133-A135 PolarHBondContact O-N 2.79Å
136S23.8Very low24.3Very low84 Ų84126.2 Ų126.259%0.58777%0.771SS**  trans-165.582.5176.451.70000108.8P134P134-S136 PolarHBondContact O-N 2.97Å
137V26.2Very low24.1Very low144 Ų144124.1 Ų124.187%0.87377%0.765SS**SBendtrans-179.272.2136.3-176.40000106.1
138L25.6Very low23.9Very low174 Ų174128.9 Ų128.991%0.91177%0.771SS**  trans-162.881.1152.4-104.6145.7000104.5S140L138-S140 PolarHBondContact O-N 2.79Å
139G21.1Very low23.7Very low67 Ų67128.2 Ų128.269%0.69177%0.772SS**  trans-53.8132.9176.200000109.2P141G139-P141 WeakPolarHBondContact O-CD 3.45Å; G139-P141 VanDerWaalsContact O-N 3.13Å
140S23.6Very low23.7Very low98 Ų98122.6 Ų122.669%0.68577%0.769SS**  trans-54.4108.2164.449.70000109L138L138-S140 PolarHBondContact O-N 2.79Å
141P26.6Very low23.6Very low99 Ų99124.1 Ų124.164%0.64378%0.775SS**SBendtrans-77137.7160.132.9-22.3000105.9G139G139-P141 WeakPolarHBondContact O-CD 3.45Å; G139-P141 VanDerWaalsContact O-N 3.13Å
142F27.3Very low23.4Very low195 Ų195126.5 Ų126.586%0.85578%0.779SS**  trans86.559178.8-45.3-69.9000116S144F142-S144 PolarHBondContact O-N 2.67Å
143S24.3Very low23.5Very low89 Ų89127.5 Ų127.562%0.62278%0.776SS**  trans-49.6119.2132.2-49.90000110.4V145S143-V145 PolarHBondContact O-N 2.77Å
144S22Very low23.5Very low112 Ų112127.4 Ų127.478%0.78377%0.771SS**  trans23.995.1143.950.90000117.6F142F142-S144 PolarHBondContact O-N 2.67Å
145V24.2Very low23.5Very low134 Ų134128.2 Ų128.281%0.81278%0.779SS**  trans-109.792.6150.4-178.40000107.3S143 G147S143-V145 PolarHBondContact O-N 2.77Å; V145-G147 PolarHBondContact O-N 3.09Å; V145-G147 VanDerWaalsContact O-N 3.14Å
146S20.1Very low23.4Very low120 Ų120128.2 Ų128.284%0.83976%0.763SS**  trans-62.9101.7158.8510000108.1
147G20.6Very low23.5Very low60 Ų60131.2 Ų131.262%0.61977%0.773SS**  trans-138.884.6177.200000109.6V145 A149V145-G147 PolarHBondContact O-N 3.09Å; V145-G147 VanDerWaalsContact O-N 3.14Å; G147-A149 PolarHBondContact O-N 2.69Å
148F18.8Very low23.4Very low224 Ų224131.3 Ų131.398%0.98277%0.767SS**  trans-60.1114.5164.5-93.3-96000108.9
149A22.1Very low23.3Very low85 Ų85130 Ų13070%0.70276%0.758SS**  trans-148.197.715500000108.5G147 M151G147-A149 PolarHBondContact O-N 2.69Å; A149-M151 VanDerWaalsContact C-N 3.32Å; A149-M151 PolarHBondContact O-N 3.02Å
150S20.7Very low23.4Very low122 Ų122133.2 Ų133.285%0.85376%0.759SS**  trans-59.691.5164.6161.60000109
151M24Very low23.3Very low175 Ų175133 Ų13386%0.86276%0.756SS**  trans-118.5102.6167-78.7-78.417000108A149A149-M151 VanDerWaalsContact C-N 3.32Å; A149-M151 PolarHBondContact O-N 3.02Å
152K22.6Very low23.1Very low181 Ų181137.8 Ų137.879%0.78776%0.762SS**  trans-43.2147.2157.7-95.7170.2164.1175.30110.8
153D25.6Very low23Very low140 Ų140136 Ų13675%0.74976%0.762SS**  trans64.280157-57-32000116.1
154Q24Very low23Very low158 Ų158134.4 Ų134.474%0.73876%0.759SS**  trans-162.794.2138.2-107.1159.859.100109.1N156Q154-N156 PolarHBondContact O-N 3.23Å
155S24.9Very low23.2Very low119 Ų119136.9 Ų136.983%0.83276%0.764SS**  trans-60.774.915552.90000108D157S155-D157 PolarHBondContact O-N 3.05Å; S155-D157 VanDerWaalsContact O-N 3.14Å
156N23.8Very low23.2Very low113 Ų113138.2 Ų138.260%0.60477%0.765SS**  trans-72.3107.1167.1-77.8-34.1000105.9Q154 I158Q154-N156 PolarHBondContact O-N 3.23Å; N156-I158 PolarHBondContact O-N 2.77Å
157D25Very low23.6Very low147 Ų147137.4 Ų137.479%0.78676%0.757SS**  trans-42.8101.5163.3-72.2-43.2000108.3S155 M159S155-D157 PolarHBondContact O-N 3.05Å; S155-D157 VanDerWaalsContact O-N 3.14Å; D157-M159 PolarHBondContact O-N 3.16Å
158I24.3Very low23.9Very low145 Ų145140.2 Ų140.274%0.74477%0.767SS**  trans-73.480.7167.7-56.2176.7000104.9N156 L160N156-I158 PolarHBondContact O-N 2.77Å; I158-L160 HydrophobicContact CG2-CD2 4.09Å; I158-L160 HydrophobicContact CG2-CG 4.19Å; I158-L160 PolarHBondContact O-N 2.93Å
159M22.7Very low24.3Very low148 Ų148133.5 Ų133.573%0.72975%0.753SS**  trans-60.894.6161.8-79.8-71-65.300106.3D157 C161D157-M159 PolarHBondContact O-N 3.16Å; M159-C161 PolarHBondContact O-N 2.97Å
160L24.7Very low24.6Very low134 Ų134133.2 Ų133.270%0.70275%0.751SS**  trans-6683.9167.6-71.5169000107.3I158 Y162I158-L160 HydrophobicContact CG2-CD2 4.09Å; I158-L160 HydrophobicContact CG2-CG 4.19Å; I158-L160 PolarHBondContact O-N 2.93Å; L160-Y162 HydrophobicContact CB-CD2 4.33Å; L160-Y162 HydrophobicContact CB-CE2 4.49Å; L160-Y162 PolarHBondContact O-N 2.76Å
161C21.7Very low24.9Very low93 Ų93134.6 Ų134.663%0.62875%0.749SS**  trans-64.590167.5-70.80000107.8M159 N163M159-C161 PolarHBondContact O-N 2.97Å; C161-N163 PolarHBondContact O-N 2.94Å
162Y21.9Very low25.2Very low199 Ų199130.6 Ų130.678%0.7873%0.734SS**  trans-69.280165.5-96-92.4000108.5L160 G164L160-Y162 HydrophobicContact CB-CD2 4.33Å; L160-Y162 HydrophobicContact CB-CE2 4.49Å; L160-Y162 PolarHBondContact O-N 2.76Å; Y162-G164 PolarHBondContact O-N 2.77Å
163N25.1Very low25.6Very low159 Ų159126.6 Ų126.685%0.8572%0.721SS**  trans-9081162.3-77.4-23.6000107.2C161C161-N163 PolarHBondContact O-N 2.94Å
164G23.1Very low25.8Very low54 Ų54126.4 Ų126.456%0.55772%0.717SS**SBendtrans-174.3126.5177.800000110.2Y162 L166Y162-G164 PolarHBondContact O-N 2.77Å; G164-L166 PolarHBondContact O-N 3.42Å
165D27.6Very low26.4Very low165 Ų165123.6 Ų123.688%0.88271%0.707SS**  trans-44.5135.7176.3-68.2-55.7000111.3
166L24.4Very low26.9Very low162 Ų162121.5 Ų121.585%0.84869%0.693SS**  trans-35.9123.7175.9-78.7142.1000110.3G164 S168G164-L166 PolarHBondContact O-N 3.42Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 3.5Å
167P28.7Very low27.3Very low103 Ų103119.1 Ų119.167%0.66968%0.679SS**  trans-61.2103.8173.423.3-30.1000107.9A169P167-A169 PolarHBondContact O-N 3.32Å
168S26.2Very low27.5Very low118 Ų118116.9 Ų116.983%0.82567%0.665SS**SBendtrans-48.7111.9164.31740000107L166L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 3.5Å
169A27.3Very low28Very low83 Ų83118.1 Ų118.169%0.68667%0.668SS**SBendtrans50.896.9-17700000112.7P167 N171P167-A169 PolarHBondContact O-N 3.32Å; A169-N171 PolarHBondContact O-N 3.36Å
170A27.6Very low28.6Very low80 Ų80114.2 Ų114.266%0.66166%0.659SS**  trans-54.692.4153.100000107.1V172A170-V172 PolarHBondContact O-N 2.9Å
171N26.8Very low28.7Very low150 Ų150110.5 Ų110.580%0.80265%0.653SS**  trans-69.486.7171-162.211.6000103.6A169 D173A169-N171 PolarHBondContact O-N 3.36Å; N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 PolarHBondContact O-N 2.89Å
172V31.2Very low29.3Very low91 Ų91112.4 Ų112.455%0.55266%0.656SS**  trans-65100.9177.1-177.30000104.9A170 M174 L177A170-V172 PolarHBondContact O-N 2.9Å; V172-M174 PolarHBondContact O-N 3.35Å; V172-M174 VanDerWaalsContact O-N 3.11Å; V172-L177 HydrophobicContact CB-CD1 4.31Å; V172-L177 HydrophobicContact CG1-CD1 3.52Å; V172-L177 HydrophobicContact CG1-CG 4.07Å
173D31.7Very low29.5Very low98 Ų98108.6 Ų108.652%0.52465%0.647SS.*  trans-56.5120.1-176.5-150.4-7.8000107.5N171 L175 S176 L177N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 PolarHBondContact O-N 2.89Å; D173-L175 PolarHBondContact O-N 3.06Å; D173-S176 WeakPolarHBondContact O-CA 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.47Å; D173-S176 PolarHBondContact O-N 3.49Å; D173-L177 PolarHBondContact O-N 3.42Å
174M29.7Very low29.5Very low135 Ų135103.8 Ų103.867%0.66564%0.635SS**Hα-helixtrans-54.8-28.7-173.4-126.3-161.4-54.500111.1V172 S176 L177 M178V172-M174 PolarHBondContact O-N 3.35Å; V172-M174 VanDerWaalsContact O-N 3.11Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 2.88Å; M174-L177 WeakPolarHBondContact O-CB 3.38Å; M174-L177 PolarHBondContact O-N 3.16Å; M174-M178 WeakPolarHBondContact O-CG 3.31Å; M174-M178 PolarHBondContact O-N 3.35Å
175L34.8Very low29.6Very low100 Ų100108.4 Ų108.452%0.52465%0.647SS.*Hα-helixtrans-59.8-35.4172.6-85.1151.2000114.3D173 M178 H179D173-L175 PolarHBondContact O-N 3.06Å; L175-M178 HydrophobicContact CB-CE 4.35Å; L175-M178 HydrophobicContact CD2-CE 3.69Å; L175-M178 HydrophobicContact CG-CE 3.79Å; L175-M178 PolarHBondContact O-N 3.22Å; L175-H179 PolarHBondContact O-N 3.46Å; L175-H179 PolarHBondContact O-ND1 3.02Å
176S36.4Very low29.5Very low75 Ų75106 Ų10652%0.52464%0.643SS.*Hα-helixtrans-72.6-35.8176.2-61.70000111.4D173 M174 H179 A180D173-S176 WeakPolarHBondContact O-CA 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.47Å; D173-S176 PolarHBondContact O-N 3.49Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 2.88Å; S176-H179 PolarHBondContact O-N 2.92Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.97Å
177L31.9Very low29.6Very low63 Ų63105.4 Ų105.433%0.3364%0.641SS.*Hα-helixtrans-66.9-37.7171.5-93.4148.2000112.1V172 D173 M174 A180 L182V172-L177 HydrophobicContact CB-CD1 4.31Å; V172-L177 HydrophobicContact CG1-CD1 3.52Å; V172-L177 HydrophobicContact CG1-CG 4.07Å; D173-L177 PolarHBondContact O-N 3.42Å; M174-L177 WeakPolarHBondContact O-CB 3.38Å; M174-L177 PolarHBondContact O-N 3.16Å; L177-A180 PolarHBondContact O-N 2.9Å; L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 4.01Å; L177-L182 PolarHBondContact O-N 3.49Å
178M30.4Very low29.2Very low99 Ų99106 Ų10649%0.48865%0.647SS.*Hα-helixtrans-66.7-44.1173.7-70.4-170.7-63.200111.7M174 L175 A180 G181 M183M174-M178 WeakPolarHBondContact O-CG 3.31Å; M174-M178 PolarHBondContact O-N 3.35Å; L175-M178 HydrophobicContact CB-CE 4.35Å; L175-M178 HydrophobicContact CD2-CE 3.69Å; L175-M178 HydrophobicContact CG-CE 3.79Å; L175-M178 PolarHBondContact O-N 3.22Å; M178-A180 VanDerWaalsContact C-N 3.28Å; M178-A180 PolarHBondContact O-N 3.32Å; M178-G181 PolarHBondContact O-N 2.91Å; M178-G181 VanDerWaalsContact O-N 3.09Å; M178-M183 HydrophobicContact CG-CB 4.22Å
179H34.2Very low29.1Very low172 Ų172106.3 Ų106.380%0.79664%0.644SS**Hα-helixtrans-65.4-30.1174.9-95.792.1000113.3L175 S176 G181L175-H179 PolarHBondContact O-N 3.46Å; L175-H179 PolarHBondContact O-ND1 3.02Å; S176-H179 PolarHBondContact O-N 2.92Å; H179-G181 PolarHBondContact O-N 2.71Å; H179-G181 VanDerWaalsContact O-N 3.16Å
180A36.1Very low28.8Very low66 Ų66112.6 Ų112.655%0.54565%0.65SS.*THydrogen-bonded Turntrans-70.80.2174.500000113.4S176 L177 M178 L182S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.97Å; L177-A180 PolarHBondContact O-N 2.9Å; M178-A180 VanDerWaalsContact C-N 3.28Å; M178-A180 PolarHBondContact O-N 3.32Å; A180-L182 HydrophobicContact CB-CD1 4.21Å; A180-L182 HydrophobicContact CB-CG 4.38Å; A180-L182 PolarHBondContact O-N 2.83Å; A180-L182 VanDerWaalsContact O-N 3.13Å
181G25.6Very low28.7Very low56 Ų56114.8 Ų114.858%0.57766%0.657SS**THydrogen-bonded Turntrans67.610.4178.700000114M178 H179 M183M178-G181 PolarHBondContact O-N 2.91Å; M178-G181 VanDerWaalsContact O-N 3.09Å; H179-G181 PolarHBondContact O-N 2.71Å; H179-G181 VanDerWaalsContact O-N 3.16Å; G181-M183 VanDerWaalsContact C-N 3.31Å
182L33.7Very low28.4Very low132 Ų132116 Ų11669%0.69166%0.66SS**  trans-79.8-16.6179.2-74.2168.6000112.5L177 A180L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 4.01Å; L177-L182 PolarHBondContact O-N 3.49Å; A180-L182 HydrophobicContact CB-CD1 4.21Å; A180-L182 HydrophobicContact CB-CG 4.38Å; A180-L182 PolarHBondContact O-N 2.83Å; A180-L182 VanDerWaalsContact O-N 3.13Å
183M26.2Very low28.2Very low119 Ų119118 Ų11859%0.58667%0.668SS**SBendtrans-107.366168.6-65.2-113.667.200108.3M178 G181 D185M178-M183 HydrophobicContact CG-CB 4.22Å; G181-M183 VanDerWaalsContact C-N 3.31Å; M183-D185 PolarHBondContact O-N 3.4Å
184G25.5Very low27.8Very low59 Ų59118 Ų11861%0.60868%0.676SS**  trans-66.6117169.500000109.5S186G184-S186 PolarHBondContact O-N 2.88Å
185D25.8Very low27.6Very low151 Ų151118.2 Ų118.281%0.80768%0.68SS**THydrogen-bonded Turntrans-49.4129.2167.7-73.9-47.9000110M183 N187M183-D185 PolarHBondContact O-N 3.4Å; D185-N187 PolarHBondContact O-N 3.23Å
186S25.7Very low27.2Very low113 Ų113121.3 Ų121.379%0.7970%0.696SS**THydrogen-bonded Turntrans71.622153.172.10000120.7G184 S188G184-S186 PolarHBondContact O-N 2.88Å; S186-S188 PolarHBondContact O-N 2.95Å
187N25.3Very low26.7Very low151 Ų151124.8 Ų124.881%0.80770%0.704SS**  trans-81.1101.9156.2-80.3-29.3000109.1D185 V189D185-N187 PolarHBondContact O-N 3.23Å; N187-V189 PolarHBondContact O-N 3.43Å
188S21.8Very low26.3Very low115 Ų115126.6 Ų126.680%0.80472%0.721SS**  trans-57.278169.460.30000110.2S186 R190S186-S188 PolarHBondContact O-N 2.95Å; S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 2.82Å
189V24.1Very low26Very low124 Ų124126.9 Ų126.975%0.75272%0.724SS**  trans-66.5103164.3179.50000104.2N187N187-V189 PolarHBondContact O-N 3.43Å
190R20.5Very low25.5Very low215 Ų215122.5 Ų122.581%0.81171%0.71SS**  trans-42.3130.8170.1-73.7178.6167-175.1-4.5107.2S188 M192S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 2.82Å; R190-M192 VanDerWaalsContact C-N 3.27Å; R190-M192 PolarHBondContact O-N 3.39Å
191P24.4Very low24.9Very low126 Ų126124.1 Ų124.182%0.81872%0.716SS**  trans-56.8100.4173.923-30.8000107D193P191-D193 PolarHBondContact O-N 2.72Å
192M22.6Very low24.9Very low175 Ų175127.5 Ų127.586%0.86272%0.721SS**  trans-54.6126.2163.6-88.2-103.6-112.700105.1R190 S194R190-M192 VanDerWaalsContact C-N 3.27Å; R190-M192 PolarHBondContact O-N 3.39Å; M192-S194 PolarHBondContact O-N 2.85Å
193D25Very low24.5Very low135 Ų135126.5 Ų126.572%0.72271%0.712SS**  trans-36.2124.3-171.7-64.2-61.7000111.8P191 N195P191-D193 PolarHBondContact O-N 2.72Å; D193-N195 PolarHBondContact O-N 3.3Å
194S24Very low24.5Very low98 Ų98125.4 Ų125.469%0.68571%0.708SS**THydrogen-bonded Turntrans-64.231.5-176.544.50000114.8M192 H197M192-S194 PolarHBondContact O-N 2.85Å; S194-H197 PolarHBondContact O-ND1 2.97Å; S194-H197 VanDerWaalsContact O-ND1 3.16Å
195N25.4Very low24.3Very low139 Ų139131 Ų13174%0.74371%0.712SS**THydrogen-bonded Turntrans-90.8-1.4178.1-70.2-26000113.5D193 H197D193-N195 PolarHBondContact O-N 3.3Å; N195-H197 PolarHBondContact O-N 2.84Å
196L25.9Very low24.1Very low164 Ų164128.2 Ų128.286%0.85971%0.705SS**  trans-79.757.5158.8-68.7171.8000109S198L196-S198 PolarHBondContact O-N 3.28Å
197H26.8Very low24.1Very low149 Ų149131.4 Ų131.469%0.6971%0.705SS**  trans-53.1110.2158.2-86.925.8000106.5S194 N195 L199S194-H197 PolarHBondContact O-ND1 2.97Å; S194-H197 VanDerWaalsContact O-ND1 3.16Å; N195-H197 PolarHBondContact O-N 2.84Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 2.76Å
198S23.2Very low24.1Very low101 Ų101128.8 Ų128.871%0.70670%0.695SS**  trans6.979.41441610000112.2L196 T200L196-S198 PolarHBondContact O-N 3.28Å; S198-T200 PolarHBondContact O-N 2.82Å
199L24.1Very low24.1Very low104 Ų104133.3 Ų133.355%0.54569%0.694SS.*  trans-6988.4169.1-71.6172.2000104.8H197 E203H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 2.76Å; L199-E203 HydrophobicContact CD2-CB 4.18Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.49Å
200T24.2Very low24.2Very low81 Ų81132.4 Ų132.450%0.49769%0.691SS.*  trans-54.4142.7171.5550000107.4S198 N202 E203S198-T200 PolarHBondContact O-N 2.82Å; T200-N202 PolarHBondContact O-N 3.32Å; T200-E203 PolarHBondContact O-N 3.07Å
201C23.9Very low24.3Very low99 Ų99128.2 Ų128.267%0.66968%0.684SS**Hα-helixtrans-52-16.1-172.5-66.10000114.6Y205C201-Y205 PolarHBondContact O-N 2.88Å
202N25.3Very low24.3Very low128 Ų128129.2 Ų129.268%0.68468%0.682SS**Hα-helixtrans-68.8-35.3173.3-80-3.6000113.9T200 L204 Y205 S206T200-N202 PolarHBondContact O-N 3.32Å; N202-L204 VanDerWaalsContact C-N 3.32Å; N202-L204 PolarHBondContact O-N 3.22Å; N202-Y205 WeakPolarHBondContact O-CB 3.46Å; N202-Y205 PolarHBondContact O-N 3.39Å; N202-Y205 VanDerWaalsContact O-N 3.13Å; N202-S206 PolarHBondContact O-N 2.98Å
203E25.2Very low24.4Very low110 Ų110126.4 Ų126.451%0.51468%0.675SS.*Hα-helixtrans-72.3-29.4177.5-67.8-166.4174.200112.1L199 T200 Y205 S206L199-E203 HydrophobicContact CD2-CB 4.18Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.49Å; T200-E203 PolarHBondContact O-N 3.07Å; E203-Y205 PolarHBondContact O-N 3.43Å; E203-S206 PolarHBondContact O-N 3.36Å
204L25.1Very low24.4Very low96 Ų96127.8 Ų127.850%0.50368%0.677SS.*Hα-helixtrans-68-25.3170.8-74171.3000112.4N202N202-L204 VanDerWaalsContact C-N 3.32Å; N202-L204 PolarHBondContact O-N 3.22Å
205Y23.2Very low24.5Very low176 Ų176130.1 Ų130.169%0.6968%0.681SS**Hα-helixtrans-72.9-29.3176.2-108-89.4000112.9C201 N202 E203 F207 T208C201-Y205 PolarHBondContact O-N 2.88Å; N202-Y205 WeakPolarHBondContact O-CB 3.46Å; N202-Y205 PolarHBondContact O-N 3.39Å; N202-Y205 VanDerWaalsContact O-N 3.13Å; E203-Y205 PolarHBondContact O-N 3.43Å; Y205-F207 PolarHBondContact O-N 2.89Å; Y205-T208 PolarHBondContact O-N 3.31Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; Y205-T208 PolarHBondContact O-OG1 2.8Å
206S21.7Very low24.5Very low93 Ų93129.8 Ų129.865%0.6568%0.684SS**Hα-helixtrans-65.8-23.5177.4-58.10000113.4N202 E203 T208N202-S206 PolarHBondContact O-N 2.98Å; E203-S206 PolarHBondContact O-N 3.36Å; S206-T208 VanDerWaalsContact C-N 3.32Å; S206-T208 PolarHBondContact O-N 2.78Å
207F25.3Very low24.3Very low180 Ų180124 Ų12479%0.78966%0.663SS**THydrogen-bonded Turntrans-81-8.1176-79.8-81.3000114.2Y205Y205-F207 PolarHBondContact O-N 2.89Å
208T25.4Very low24.5Very low97 Ų97125.7 Ų125.760%0.59567%0.672SS**THydrogen-bonded Turntrans-90.8-1.1-175.958.30000115Y205 S206Y205-T208 PolarHBondContact O-N 3.31Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; Y205-T208 PolarHBondContact O-OG1 2.8Å; S206-T208 VanDerWaalsContact C-N 3.32Å; S206-T208 PolarHBondContact O-N 2.78Å
209R21.4Very low24.8Very low210 Ų210127.3 Ų127.379%0.79267%0.673SS**  trans-118.9101.7164.5-75.5-170175.5-1730.6108.7N211R209-N211 VanDerWaalsContact C-N 3.26Å; R209-N211 PolarHBondContact O-N 3.44Å
210P25.6Very low24.9Very low105 Ų105124.5 Ų124.568%0.68267%0.669SS**  trans-57.5105.5153.824.6-29.1000105.5L212P210-L212 PolarHBondContact O-N 2.94Å
211N23.2Very low25.1Very low126 Ų126128.3 Ų128.367%0.67468%0.68SS**  trans-56.7104.2158.4-94.4-34.3000104.2R209 V213 Q214R209-N211 VanDerWaalsContact C-N 3.26Å; R209-N211 PolarHBondContact O-N 3.44Å; N211-V213 PolarHBondContact O-N 3.14Å; N211-Q214 PolarHBondContact O-N 3.35Å; N211-Q214 VanDerWaalsContact O-N 3.08Å
212L24.9Very low25.3Very low148 Ų148130.9 Ų130.978%0.77568%0.683SS**G310 helixtrans-52.7-14.8-177.2-155.584.3000112.1P210P210-L212 PolarHBondContact O-N 2.94Å
213V24.8Very low25.4Very low116 Ų116127.2 Ų127.270%0.70368%0.675SS**G310 helixtrans-75.8-17.7-178.8-172.50000113.7N211 T216N211-V213 PolarHBondContact O-N 3.14Å; V213-T216 PolarHBondContact O-OG1 3.39Å
214Q24.7Very low25.5Very low163 Ų163129.7 Ų129.776%0.76269%0.685SS**G310 helixtrans-93.3-5.9-177.3-99.3179.93.500116N211 T216N211-Q214 PolarHBondContact O-N 3.35Å; N211-Q214 VanDerWaalsContact O-N 3.08Å; Q214-T216 VanDerWaalsContact C-N 3.27Å; Q214-T216 PolarHBondContact O-N 3.49Å
215L24.7Very low25.5Very low147 Ų147128.6 Ų128.677%0.7769%0.685SS**G310 helixtrans-81.6-3.7175.4-74.8171.2000113.7
216T25.4Very low25.7Very low133 Ų133128.2 Ų128.282%0.81669%0.687SS**G310 helixtrans-102.47.3177.646.70000114.2V213 Q214V213-T216 PolarHBondContact O-OG1 3.39Å; Q214-T216 VanDerWaalsContact C-N 3.27Å; Q214-T216 PolarHBondContact O-N 3.49Å
217G23Very low26.1Very low41 Ų41129 Ų12942%0.42368%0.683SS.*SBendtrans-105.3133.5172.200000111.5N219 G220G217-N219 PolarHBondContact O-N 3.44Å; G217-G220 PolarHBondContact O-N 3.34Å; G217-G220 VanDerWaalsContact O-N 3.11Å
218E29.6Very low26.2Very low186 Ų186126.4 Ų126.487%0.86968%0.677SS**G310 helixtrans-48.1-12.8176-79.5-180117.100115.3G220E218-G220 PolarHBondContact O-N 3.45Å
219N30.3Very low26.2Very low135 Ų135128.6 Ų128.672%0.72269%0.685SS**G310 helixtrans-83.7-2.5-180-64.5-27.1000114.8G217 H221 Q222G217-N219 PolarHBondContact O-N 3.44Å; N219-H221 PolarHBondContact O-N 3.48Å; N219-H221 VanDerWaalsContact O-N 3.08Å; N219-Q222 PolarHBondContact O-N 3.48Å
220G26.7Very low26.4Very low45 Ų45123.5 Ų123.546%0.46468%0.681SS.*G310 helixtrans-60.9-16.9178.200000114.8G217 E218 Q222G217-G220 PolarHBondContact O-N 3.34Å; G217-G220 VanDerWaalsContact O-N 3.11Å; E218-G220 PolarHBondContact O-N 3.45Å; G220-Q222 PolarHBondContact O-N 2.8Å
221H27.4Very low26.4Very low160 Ų160124.2 Ų124.274%0.74168%0.679SS**G310 helixtrans-76.3-15.3-178.2-68.4-64.6000114.9N219N219-H221 PolarHBondContact O-N 3.48Å; N219-H221 VanDerWaalsContact O-N 3.08Å
222Q28.2Very low26.4Very low153 Ų153126.9 Ų126.972%0.71569%0.687SS**Hα-helixtrans-79.4-20.5-177.4-69.8-1642.300114.3N219 G220N219-Q222 PolarHBondContact O-N 3.48Å; G220-Q222 PolarHBondContact O-N 2.8Å
223G27.3Very low26.5Very low52 Ų52126.1 Ų126.154%0.53668%0.682SS.*Hα-helixtrans-68.7-36.1-177.500000113.9
224F27Very low26.5Very low161 Ų161124.7 Ų124.771%0.70668%0.675SS**Hα-helixtrans-83.7-27.2-176.8-83.2-83000113.9K226 I227 L228F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.95Å; F224-I227 PolarHBondContact O-N 3.42Å; F224-I227 VanDerWaalsContact O-N 3.14Å; F224-L228 PolarHBondContact O-N 2.85Å
225S26.2Very low26.5Very low74 Ų74125.3 Ų125.352%0.51768%0.684SS.*Hα-helixtrans-67.1-28.3-179.8-68.60000113.1I227 L228 N229S225-I227 VanDerWaalsContact C-N 3.3Å; S225-I227 PolarHBondContact O-N 2.83Å; S225-L228 PolarHBondContact O-N 3.29Å; S225-N229 PolarHBondContact O-N 3.43Å
226K27.7Very low26.4Very low168 Ų168122.5 Ų122.573%0.7368%0.677SS**Hα-helixtrans-68-29.3173.8-73.9-171.9178.8-178.70113.1F224 S230F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.95Å; K226-S230 PolarHBondContact O-OG 3.28Å
227I29.2Very low26.2Very low108 Ų108125.6 Ų125.655%0.55468%0.675SS**Hα-helixtrans-77.6-34-179.6-60175.5000110.8F224 S225 S230F224-I227 PolarHBondContact O-N 3.42Å; F224-I227 VanDerWaalsContact O-N 3.14Å; S225-I227 VanDerWaalsContact C-N 3.3Å; S225-I227 PolarHBondContact O-N 2.83Å; I227-S230 PolarHBondContact O-N 2.93Å
228L27.1Very low26Very low127 Ų127128.7 Ų128.767%0.66569%0.69SS**Hα-helixtrans-73.9-31.3178.9-81.5166.5000113.3F224 S225 S230 L231F224-L228 PolarHBondContact O-N 2.85Å; S225-L228 PolarHBondContact O-N 3.29Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 2.91Å; L228-L231 PolarHBondContact O-N 3.43Å
229N25.7Very low25.7Very low142 Ų142127.3 Ų127.376%0.75969%0.688SS**Hα-helixtrans-72.9-18.5176-82.3-0.6000113.9S225 L231S225-N229 PolarHBondContact O-N 3.43Å; N229-L231 VanDerWaalsContact C-N 3.29Å
230S26.2Very low25.2Very low104 Ų104126.8 Ų126.873%0.72769%0.689SS**THydrogen-bonded Turntrans-82.4-7.2175.6-57.50000113.6K226 I227 L228 E232K226-S230 PolarHBondContact O-OG 3.28Å; I227-S230 PolarHBondContact O-N 2.93Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 2.91Å; S230-E232 VanDerWaalsContact C-N 3.28Å; S230-E232 PolarHBondContact O-N 2.85Å
231L25.6Very low24.9Very low119 Ų119130.4 Ų130.462%0.62370%0.702SS**  trans-91.368.7168.3-87.6130.2000108.7L228 N229 I233L228-L231 PolarHBondContact O-N 3.43Å; N229-L231 VanDerWaalsContact C-N 3.29Å; L231-I233 VanDerWaalsContact C-N 3.26Å; L231-I233 PolarHBondContact O-N 3.3Å
232E23Very low24.6Very low183 Ų183127.5 Ų127.586%0.85570%0.697SS**  trans-63.394.9160.1-116.1-179.1171.200107.2S230 P234S230-E232 VanDerWaalsContact C-N 3.28Å; S230-E232 PolarHBondContact O-N 2.85Å; E232-P234 VanDerWaalsContact O-CD 3.29Å; E232-P234 WeakPolarHBondContact O-CD 3.2Å
233I27.1Very low24.4Very low131 Ų131124.7 Ų124.767%0.67270%0.701SS**  trans-73.7116.3169.5-59.2171.5000105.5L231 N235L231-I233 VanDerWaalsContact C-N 3.26Å; L231-I233 PolarHBondContact O-N 3.3Å; I233-N235 PolarHBondContact O-N 2.81Å
234P23.6Very low24.2Very low86 Ų86127.5 Ų127.556%0.55871%0.712SS**  trans-58.2124-179.519.7-30000110.3E232 S236E232-P234 VanDerWaalsContact O-CD 3.29Å; E232-P234 WeakPolarHBondContact O-CD 3.2Å; P234-S236 PolarHBondContact O-N 3.41Å
235N24.9Very low24Very low177 Ų177127.3 Ų127.395%0.94772%0.718SS**THydrogen-bonded Turntrans-64.223.9-176.4-81.4-34.4000115.3I233I233-N235 PolarHBondContact O-N 2.81Å
236S22.5Very low24.1Very low88 Ų88129.1 Ų129.162%0.61573%0.731SS**THydrogen-bonded Turntrans-97.81.9-16952.40000116P234 S238P234-S236 PolarHBondContact O-N 3.41Å; S236-S238 PolarHBondContact O-N 3.47Å
237Y21.3Very low23.9Very low198 Ų198126.4 Ų126.478%0.77673%0.733SS**  trans-101.984.6176.8-63.4-77.1000111.3L239Y237-L239 PolarHBondContact O-N 3.44Å; Y237-L239 VanDerWaalsContact O-N 3.08Å
238S20.3Very low23.8Very low106 Ų106129.5 Ų129.574%0.74175%0.745SS**  trans-65.3101.8161.8176.50000108.6S236 V240S236-S238 PolarHBondContact O-N 3.47Å; S238-V240 PolarHBondContact O-N 3.42Å
239L21.7Very low23.9Very low157 Ų157131.5 Ų131.582%0.82276%0.756SS**  trans-65.993.6174.8-75.9158.9000109.9Y237 V241Y237-L239 PolarHBondContact O-N 3.44Å; Y237-L239 VanDerWaalsContact O-N 3.08Å; L239-V241 PolarHBondContact O-N 2.77Å
240V19.8Very low23.9Very low124 Ų124132.1 Ų132.175%0.75276%0.759SS**  trans-82.396.5162.3-1790000106.7S238 P242S238-V240 PolarHBondContact O-N 3.42Å; V240-P242 VanDerWaalsContact O-CD 3.32Å; V240-P242 WeakPolarHBondContact O-CD 3.39Å
241V22Very low23.9Very low120 Ų120134.5 Ų134.573%0.72776%0.763SS**  trans-77.7115.1171.1-179.10000107.4L239 A243L239-V241 PolarHBondContact O-N 2.77Å; V241-A243 PolarHBondContact O-N 2.89Å
242P21.2Very low23.9Very low99 Ų99133.8 Ų133.864%0.64377%0.766SS**  trans-64.2124.6171.4-13.128.2000108.1V240 S244V240-P242 VanDerWaalsContact O-CD 3.32Å; V240-P242 WeakPolarHBondContact O-CD 3.39Å; P242-S244 VanDerWaalsContact C-N 3.27Å; P242-S244 PolarHBondContact O-N 3Å
243A22.6Very low23.8Very low95 Ų95130.4 Ų130.479%0.78576%0.763SS**  trans-66.290.7169.600000108.2V241 N245V241-A243 PolarHBondContact O-N 2.89Å; A243-N245 PolarHBondContact O-N 2.84Å
244S23.4Very low23.9Very low110 Ų110130.9 Ų130.977%0.76977%0.771SS**  trans-65.2115.3173.3-56.50000108.5P242 S246P242-S244 VanDerWaalsContact C-N 3.27Å; P242-S244 PolarHBondContact O-N 3Å; S244-S246 PolarHBondContact O-N 2.84Å
245N23.7Very low23.9Very low157 Ų157131.4 Ų131.484%0.8478%0.777SS**  trans-50.1118.8173.7-69.5-33.2000110A243 S247A243-N245 PolarHBondContact O-N 2.84Å; N245-S247 PolarHBondContact O-N 2.9Å
246S26.7Very low24Very low112 Ų112131.8 Ų131.878%0.78377%0.773SS**  trans-63.1100.7167.548.90000108.5S244 E248S244-S246 PolarHBondContact O-N 2.84Å; S246-E248 PolarHBondContact O-N 3.23Å
247S25.4Very low24.2Very low112 Ų112136.1 Ų136.178%0.78378%0.784SS**  trans-65.4110.7166.1470000108.6N245 L249N245-S247 PolarHBondContact O-N 2.9Å; S247-L249 PolarHBondContact O-N 3.07Å; S247-L249 VanDerWaalsContact O-N 3.09Å
248E25.4Very low24.4Very low173 Ų173133.7 Ų133.781%0.80878%0.784SS**  trans-48.3104.6172.8-68.9159.6131.800110.9S246 N250S246-E248 PolarHBondContact O-N 3.23Å; E248-N250 PolarHBondContact O-N 3.13Å
249L29.8Very low24.8Very low169 Ų169134.5 Ų134.589%0.88578%0.78SS**  trans-72.1105.5155.7-89.3161.6000106.3S247 D251S247-L249 PolarHBondContact O-N 3.07Å; S247-L249 VanDerWaalsContact O-N 3.09Å; L249-D251 PolarHBondContact O-N 3.28Å
250N25.4Very low25Very low154 Ų154134.3 Ų134.382%0.82478%0.78SS**  trans-57.5105.4171.3-76.6-68.9000109.6E248E248-N250 PolarHBondContact O-N 3.13Å
251D26.2Very low25.4Very low154 Ų154135.4 Ų135.482%0.82478%0.781SS**  trans-86.5125.4165.3-102.8-35.3000109.7L249 S253L249-D251 PolarHBondContact O-N 3.28Å; D251-S253 PolarHBondContact O-N 3.32Å
252P25.8Very low25.4Very low104 Ų104134.3 Ų134.368%0.67578%0.779SS**  trans-81104164.630.4-27.5000109.7
253S21.9Very low25.6Very low112 Ų112135.4 Ų135.478%0.78379%0.785SS**  trans34.492142.861.70000117.1D251D251-S253 PolarHBondContact O-N 3.32Å
254V29.1Very low25.5Very low141 Ų141138.2 Ų138.286%0.85579%0.787SS**  trans-119.3121.2146.6-174.30000107.7
255S23.8Very low25.5Very low97 Ų97142.4 Ų142.468%0.67879%0.786SS**  trans-57.9142.8-174.846.10000115.1
256E25.7Very low25.3Very low186 Ų186140.1 Ų140.187%0.86978%0.777SS**  trans5397.6141.4-60.7-170.316300118.5
257E26.2Very low25.1Very low178 Ų178143 Ų14383%0.83277%0.772SS**  -152.7114.6127.2-123.2-175.2121.100110.7N259E257-N259 PolarHBondContact O-N 3.39Å
258N26.3Very low24.9Very low147 Ų147144.8 Ų144.879%0.78677%0.772SS**  trans-57.1101.8171.6-91-36.1000110.4
259N28.4Very low24.6Very low124 Ų124142 Ų14266%0.66377%0.766SS**  trans-130.897.7155.1-80.6-51.3000108.2E257 L261E257-N259 PolarHBondContact O-N 3.39Å; N259-L261 HydrophobicContact CB-CD1 4.43Å; N259-L261 PolarHBondContact O-N 3.13Å
260N26.8Very low24.3Very low153 Ų153139 Ų13982%0.81876%0.757SS**  trans-6177.2169.3-73-45.3000109.9
261L27.1Very low24.1Very low147 Ų147137.5 Ų137.577%0.7775%0.754SS**  trans-113.476.9166.3-80.6150.4000106.6N259N259-L261 HydrophobicContact CB-CD1 4.43Å; N259-L261 PolarHBondContact O-N 3.13Å
262S23Very low24Very low97 Ų97137.7 Ų137.768%0.67875%0.754SS**  trans-49.3129.4165.8-47.20000108.1L264S262-L264 PolarHBondContact O-N 3.38Å
263P24.7Very low23.8Very low121 Ų121140.2 Ų140.279%0.78676%0.761SS**  trans-60.5110.5-178.221.5-30.2000108.7R265P263-R265 VanDerWaalsContact C-N 3.31Å; P263-R265 PolarHBondContact O-N 3.49Å
264L21.6Very low23.7Very low155 Ų155139.7 Ų139.781%0.81276%0.757SS**  trans-59.998.5169.6-10494.3000107.1S262 T266S262-L264 PolarHBondContact O-N 3.38Å; L264-T266 PolarHBondContact O-N 3.47Å
265R21.7Very low23.5Very low198 Ų198139.3 Ų139.375%0.74776%0.755SS**  trans-6591.5161-87.5-176.2171.5-179.5-1.6106.8P263 Y267P263-R265 VanDerWaalsContact C-N 3.31Å; P263-R265 PolarHBondContact O-N 3.49Å; R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 HydrophobicContact CB-CD2 4.26Å; R265-Y267 HydrophobicContact CB-CE2 3.8Å; R265-Y267 VanDerWaalsContact O-CD2 3.26Å; R265-Y267 WeakPolarHBondContact O-CD2 3.46Å; R265-Y267 PolarHBondContact O-N 2.88Å
266T20.8Very low23.4Very low108 Ų108141.6 Ų141.666%0.66376%0.76SS**  trans-69.895.1169.6-52.80000107.6L264 I268L264-T266 PolarHBondContact O-N 3.47Å; T266-I268 VanDerWaalsContact C-N 3.33Å; T266-I268 HydrophobicContact CG2-CG1 4.14Å; T266-I268 PolarHBondContact O-N 2.75Å
267Y21Very low23.3Very low173 Ų173135.7 Ų135.768%0.67875%0.748SS**  trans-6994.6165.8-68.7-87.3000107.3R265 T269R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 HydrophobicContact CB-CD2 4.26Å; R265-Y267 HydrophobicContact CB-CE2 3.8Å; R265-Y267 VanDerWaalsContact O-CD2 3.26Å; R265-Y267 WeakPolarHBondContact O-CD2 3.46Å; R265-Y267 PolarHBondContact O-N 2.88Å; Y267-T269 PolarHBondContact O-N 3.46Å
268I21.6Very low23.1Very low150 Ų150135.8 Ų135.877%0.76975%0.749SS**  trans-69.793.2166.8-57.3175.2000105.7T266 P270T266-I268 VanDerWaalsContact C-N 3.33Å; T266-I268 HydrophobicContact CG2-CG1 4.14Å; T266-I268 PolarHBondContact O-N 2.75Å; I268-P270 WeakPolarHBondContact O-CD 3.49Å
269T20.7Very low23Very low113 Ų113137 Ų13769%0.69375%0.75SS**  trans-71.9121.8169.1-120000106.2Y267 T271Y267-T269 PolarHBondContact O-N 3.46Å; T269-T271 PolarHBondContact O-N 3.39Å
270P22.4Very low22.8Very low107 Ų107140.5 Ų140.570%0.69576%0.762SS**  trans-64.7101.9175.925.4-31.4000107.8I268 L272I268-P270 WeakPolarHBondContact O-CD 3.49Å; P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.29Å
271T21.1Very low22.7Very low123 Ų123141.5 Ų141.576%0.75576%0.762SS**  trans-63.998.6168.5-45.40000106.4T269 L273T269-T271 PolarHBondContact O-N 3.39Å; T271-L273 VanDerWaalsContact C-N 3.3Å; T271-L273 PolarHBondContact O-N 3.22Å
272L23.7Very low22.3Very low157 Ų157140.3 Ų140.382%0.82277%0.766SS**  trans-58.7103.4163.3-69.6174.1000105.5P270 S274P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.29Å; L272-S274 PolarHBondContact O-N 3.27Å
273L21.2Very low22.3Very low157 Ų157141.2 Ų141.282%0.82277%0.772SS**  trans-61.389.4169.2-79.5157.1000106.4T271 V275T271-L273 VanDerWaalsContact C-N 3.3Å; T271-L273 PolarHBondContact O-N 3.22Å; L273-V275 VanDerWaalsContact C-N 3.3Å; L273-V275 PolarHBondContact O-N 3.23Å
274S21Very low22.1Very low101 Ų101142.3 Ų142.371%0.70678%0.776SS**  trans-65.597.4168-171.60000106.1L272 N276L272-S274 PolarHBondContact O-N 3.27Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.39Å
275V24.5Very low22.4Very low134 Ų134141.7 Ų141.781%0.81278%0.779SS**  trans-67.594.8171.1-174.40000105.7L273 G277L273-V275 VanDerWaalsContact C-N 3.3Å; L273-V275 PolarHBondContact O-N 3.23Å; V275-G277 PolarHBondContact O-N 2.87Å
276N21.8Very low22.5Very low145 Ų145136.5 Ų136.578%0.77578%0.778SS**  trans-63.781.2167.1-102.4-5000108.2S274 Q278S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.39Å; N276-Q278 VanDerWaalsContact C-N 3.32Å
277G22.7Very low22.6Very low61 Ų61137.2 Ų137.263%0.62979%0.785SS**  trans-99.450.6160.500000109.1V275 E279V275-G277 PolarHBondContact O-N 2.87Å; G277-E279 PolarHBondContact O-N 3.48Å
278Q23.2Very low22.9Very low181 Ų181138.5 Ų138.585%0.84680%0.797SS**  trans-81.9105.5165-92.3-163-28.300108.3N276 Q280N276-Q278 VanDerWaalsContact C-N 3.32Å; Q278-Q280 PolarHBondContact O-N 3.47Å
279E24.7Very low23Very low173 Ų173136.8 Ų136.881%0.80880%0.798SS**  trans-44.5123.6170-59.6172.3114.300109.7G277 Q281G277-E279 PolarHBondContact O-N 3.48Å; E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.41Å
280Q22.5Very low23.3Very low197 Ų197137.4 Ų137.492%0.92180%0.804SS**  trans-61.693.9172.5-70.3174.4-100109.2Q278Q278-Q280 PolarHBondContact O-N 3.47Å
281Q24.8Very low23.7Very low173 Ų173140.1 Ų140.181%0.80881%0.812SS**  trans-131.994.1162.2-71.7-169.610.900109.5E279E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.41Å
282S19.8Very low23.7Very low122 Ų122138.8 Ų138.885%0.85381%0.807SS**  trans37.5106.6141.3-162.10000118.4
283S23.4Very low24Very low117 Ų117139.4 Ų139.482%0.81881%0.806SS**  -171.5137.2115.559.30000111.1
284V20.1Very low24.2Very low144 Ų144140.2 Ų140.287%0.87381%0.805SS**  trans-83.2115.7178.8169.80000108.8
285V27.3Very low24.5Very low142 Ų142143.6 Ų143.686%0.86181%0.81SS**  trans-151.6144.3149.6-174.40000109.6
286A24.3Very low24.5Very low88 Ų88142.6 Ų142.673%0.72781%0.809SS**  trans-59.5168.8-165.300000118.7
287P22.9Very low24.8Very low124 Ų124144.3 Ų144.381%0.80582%0.817SS**  trans-90.9136-173.934.4-29.3000113.1
288E28.2Very low24.9Very low200 Ų200146.9 Ų146.994%0.93583%0.825SS**  trans-132.6152.1164.4-72.5-157.1151.200112.2
289S23.6Very low24.8Very low114 Ų114149.5 Ų149.580%0.79783%0.827SS**  trans-73.3162.9-150.6-62.80000118.2
290P27.2Very low24.9Very low125 Ų125147.3 Ų147.381%0.81283%0.828SS**  trans-86.6132.118032.5-31.3000113.1
291L28.9Very low25Very low164 Ų164142.3 Ų142.386%0.85982%0.82SS**  trans-127.2120.5169-84.1168.1000112
292S22.8Very low24.8Very low95 Ų95139.8 Ų139.866%0.66482%0.822SS**  trans-40.8125.6166.2142.10000114.6
293H29Very low24.9Very low170 Ų170140.7 Ų140.779%0.78782%0.822SS**  trans-118.1100155.8-79.7-63.8000109.7
294Q26.3Very low24.8Very low175 Ų175138.8 Ų138.882%0.81881%0.813SS**PPolyproline II helixtrans-74.9119.7166-70.7-158.4-17.900109.3
295H26.9Very low25Very low172 Ų172137.8 Ų137.880%0.79681%0.81SS**PPolyproline II helixtrans-102.9119.5165.8-82.2-75.9000110
296S24.8Very low24.9Very low113 Ų113135.9 Ų135.979%0.7981%0.809SS**PPolyproline II helixtrans-70.8125-177.2-40.10000111.3S298S296-S298 PolarHBondContact O-N 3.37Å
297L27.7Very low24.7Very low180 Ų180137.1 Ų137.194%0.94281%0.812SS**  trans-86.7101.6174.8-73.4162.3000110
298S24.9Very low24.7Very low116 Ų116142.4 Ų142.481%0.81182%0.816SS**  trans-91.7107.317439.30000112.2S296S296-S298 PolarHBondContact O-N 3.37Å
299R21.3Very low24.5Very low236 Ų236140.4 Ų140.489%0.89181%0.812SS**  trans21.6113.4143-152.6175.8-164.9-167.83.8118.7
300P26.5Very low24.5Very low126 Ų126142.9 Ų142.982%0.81882%0.815SS**PPolyproline II helixtrans-77.7141.5157.9-4.321.3000111.2
301A24.1Very low24.3Very low92 Ų92142 Ų14276%0.7681%0.81SS**PPolyproline II helixtrans-72.5147.9-176.500000113.4V303A301-V303 PolarHBondContact O-N 2.84Å
302S20.5Very low24Very low121 Ų121141 Ų14185%0.84681%0.81SS**PPolyproline II helixtrans-59.1122.2171.8174.80000111.1
303V23.1Very low24.1Very low140 Ų140140.4 Ų140.485%0.84881%0.805SS**PPolyproline II helixtrans-100.5126.1166179.50000107.7A301A301-V303 PolarHBondContact O-N 2.84Å
304A21.2Very low23.9Very low77 Ų77135.6 Ų135.664%0.63680%0.802SS**PPolyproline II helixtrans-64.4150.1-177.100000112.6A306A304-A306 PolarHBondContact O-N 3.01Å
305P23.6Very low23.9Very low123 Ų123133.4 Ų133.480%0.79980%0.796SS**  trans-71.8113.2-18028.5-32.2000110.3S307P305-S307 PolarHBondContact O-N 3.09Å
306A25.1Very low23.9Very low102 Ų102132 Ų13284%0.84380%0.795SS**  trans-67.7125.8169.500000109.4A304A304-A306 PolarHBondContact O-N 3.01Å
307S21.4Very low24Very low114 Ų114134 Ų13480%0.79780%0.795SS**  trans-53.8137.7-177.9-63.70000113.7P305 D309P305-S307 PolarHBondContact O-N 3.09Å; S307-D309 PolarHBondContact O-N 3.15Å
308R22.5Very low23.7Very low236 Ų236130.6 Ų130.689%0.89179%0.786SS**  trans-8.6110.5142-69.5173.2163.9161-4.9114
309D23.9Very low23.7Very low158 Ų158131.7 Ų131.785%0.84578%0.782SS**  trans-163.796.9139.4-87.1-32.6000106.2S307 P311S307-D309 PolarHBondContact O-N 3.15Å; D309-P311 WeakPolarHBondContact O-CD 3.26Å
310L22.7Very low23.7Very low165 Ų165127.9 Ų127.986%0.86478%0.778SS**  trans-92.7101.9177.4-151.381.5000106.7T312L310-T312 PolarHBondContact O-N 2.89Å; L310-T312 VanDerWaalsContact O-N 3.13Å
311P24Very low23.6Very low107 Ų107128.6 Ų128.670%0.69577%0.774SS**  trans-73.4108.417427.6-31.3000108.8D309 C313D309-P311 WeakPolarHBondContact O-CD 3.26Å; P311-C313 PolarHBondContact O-N 3.35Å
312T22.1Very low23.5Very low142 Ų142130.7 Ų130.787%0.87178%0.777SS**  trans-66.776.2166.9-33.30000109.2L310 G314L310-T312 PolarHBondContact O-N 2.89Å; L310-T312 VanDerWaalsContact O-N 3.13Å; T312-G314 PolarHBondContact O-N 3.26Å
313C25.2Very low23.6Very low83 Ų83127.1 Ų127.156%0.56176%0.759SS**  trans-93.593.7173.561.30000109.7P311 N315P311-C313 PolarHBondContact O-N 3.35Å; C313-N315 PolarHBondContact O-N 2.86Å
314G23.6Very low23.8Very low70 Ų70126.9 Ų126.972%0.72276%0.76SS**  trans-63.279.1157.600000108.9T312 N316T312-G314 PolarHBondContact O-N 3.26Å; G314-N316 PolarHBondContact O-N 3.49Å
315N27.1Very low23.8Very low128 Ų128129 Ų12968%0.68477%0.77SS**  trans-85.4105.1178.4-822.3000108.5C313 I317C313-N315 PolarHBondContact O-N 2.86Å; N315-I317 PolarHBondContact O-N 2.9Å; N315-I317 VanDerWaalsContact O-N 3.11Å
316N26.7Very low24Very low144 Ų144128.5 Ų128.577%0.7777%0.77SS**  trans-44.6115.4162.7-61.9-54.6000109.1G314 S318G314-N316 PolarHBondContact O-N 3.49Å; N316-S318 PolarHBondContact O-N 3.45Å; N316-S318 PolarHBondContact O-OG 2.98Å
317I26.2Very low24Very low154 Ų154128.2 Ų128.279%0.7977%0.767SS**  trans-64.5104.2172.1-60.1173.7000106.3N315 L319N315-I317 PolarHBondContact O-N 2.9Å; N315-I317 VanDerWaalsContact O-N 3.11Å; I317-L319 HydrophobicContact CG2-CD1 3.99Å; I317-L319 PolarHBondContact O-N 3.44Å
318S22.9Very low24.2Very low108 Ų108126.3 Ų126.376%0.75576%0.759SS**  trans-8497.2176.4-53.80000107.1N316 L320N316-S318 PolarHBondContact O-N 3.45Å; N316-S318 PolarHBondContact O-OG 2.98Å; S318-L320 PolarHBondContact O-N 3.25Å
319L23.4Very low24.5Very low139 Ų139122.2 Ų122.273%0.72876%0.755SS**  trans-72.2106.7171-12087.7000108.2I317 I321I317-L319 HydrophobicContact CG2-CD1 3.99Å; I317-L319 PolarHBondContact O-N 3.44Å; L319-I321 HydrophobicContact CD2-CD1 4.45Å; L319-I321 HydrophobicContact CD2-CG1 4.33Å; L319-I321 PolarHBondContact O-N 2.89Å
320L21.6Very low24.6Very low157 Ų157124.2 Ų124.282%0.82276%0.756SS**  trans-81.693.5173-157.695.8000108.5S318 V322S318-L320 PolarHBondContact O-N 3.25Å; L320-V322 HydrophobicContact CD2-CG2 4Å; L320-V322 PolarHBondContact O-N 3.42Å
321I24.1Very low24.6Very low141 Ų141127.8 Ų127.872%0.72376%0.758SS**  trans-85101.8174.4-57.6174.8000107.7L319 G323L319-I321 HydrophobicContact CD2-CD1 4.45Å; L319-I321 HydrophobicContact CD2-CG1 4.33Å; L319-I321 PolarHBondContact O-N 2.89Å; I321-G323 PolarHBondContact O-N 2.86Å; I321-G323 VanDerWaalsContact O-N 3.11Å
322V22.4Very low24.5Very low136 Ų136128.9 Ų128.982%0.82477%0.767SS**  trans-77.390.7170.8-177.30000107.5L320L320-V322 HydrophobicContact CD2-CG2 4Å; L320-V322 PolarHBondContact O-N 3.42Å
323G23.5Very low24.6Very low46 Ų46125.6 Ų125.647%0.47476%0.762SS.*SBendtrans-153.7149.417800000111.1I321 S325I321-G323 PolarHBondContact O-N 2.86Å; I321-G323 VanDerWaalsContact O-N 3.11Å; G323-S325 PolarHBondContact O-N 3.43Å
324P25.8Very low24.7Very low134 Ų134128.8 Ų128.887%0.8777%0.773SS**  trans-62.7123.1-170.625.5-32.4000110.7S326P324-S326 PolarHBondContact O-N 2.91Å; P324-S326 VanDerWaalsContact O-N 3.13Å
325S22.4Very low25.1Very low121 Ų121133.5 Ų133.585%0.84678%0.782SS**  trans-32.9107.8-179.8-53.70000114.2G323G323-S325 PolarHBondContact O-N 3.43Å
326S27.2Very low25.2Very low113 Ų113136.1 Ų136.179%0.7979%0.787SS**  trans-139.9105.9154.1-80.90000107.6P324 A328P324-S326 PolarHBondContact O-N 2.91Å; P324-S326 VanDerWaalsContact O-N 3.13Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.25Å
327A25.8Very low25.2Very low96 Ų96138.3 Ų138.379%0.79379%0.792SS**  trans-63.286.7-177.600000111N329A327-N329 PolarHBondContact O-N 2.92Å
328A26Very low25.3Very low75 Ų75134.6 Ų134.662%0.6279%0.793SS**  trans-81.795.9168.600000108.5S326 F330S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.25Å; A328-F330 HydrophobicContact CB-CE2 4.4Å; A328-F330 WeakPolarHBondContact O-CD2 3.44Å; A328-F330 PolarHBondContact O-N 3.46Å
329N27.6Very low25.4Very low149 Ų149137.8 Ų137.880%0.79780%0.801SS**  trans-61.3101.1172.1-77.4-49.2000110.4A327 R331A327-N329 PolarHBondContact O-N 2.92Å; N329-R331 PolarHBondContact O-N 2.99Å
330F25.4Very low25.6Very low201 Ų201136.1 Ų136.188%0.88280%0.801SS**  trans-76.4104.7167.9-76.3-88.5000109.4A328A328-F330 HydrophobicContact CB-CE2 4.4Å; A328-F330 WeakPolarHBondContact O-CD2 3.44Å; A328-F330 PolarHBondContact O-N 3.46Å
331R24.2Very low25.7Very low239 Ų239135.5 Ų135.590%0.90280%0.804SS**  trans-93.3108166.3-78.2-171.2173.3-143.9-0.2109.3N329 G333N329-R331 PolarHBondContact O-N 2.99Å; R331-G333 PolarHBondContact O-N 3.03Å; R331-G333 VanDerWaalsContact O-N 3.11Å
332C21.3Very low26Very low130 Ų130134.9 Ų134.988%0.87881%0.806SS**  trans-66.997.8164-940000109.5N334C332-N334 PolarHBondContact O-N 2.82Å
333G25.3Very low26.1Very low74 Ų74132.5 Ų132.576%0.76380%0.801SS**  trans-85.992.5168.100000110.5R331R331-G333 PolarHBondContact O-N 3.03Å; R331-G333 VanDerWaalsContact O-N 3.11Å
334N26.3Very low26.3Very low150 Ų150136.6 Ų136.680%0.80282%0.819SS**  trans-75.3115.1161.6-85.8-28.8000108.3C332C332-N334 PolarHBondContact O-N 2.82Å
335D31.6Very low26.4Very low168 Ų168135.5 Ų135.590%0.89882%0.815SS**  trans-140.7132.1159.6-86.4-43.6000112.2
336K29.1Very low26.9Very low184 Ų184141.1 Ų141.180%0.882%0.817SS**  trans-78.8155.1-169.4-73.2168.7167.6176.80112.9
337Q26.2Very low27.2Very low189 Ų189146.2 Ų146.288%0.88383%0.825SS**  trans51.8115.3139.2-73.3169.5-10.600119.5
338G28.4Very low27.6Very low77 Ų77152.6 Ų152.679%0.79483%0.829SS**  trans-16691160.700000111.9S340G338-S340 PolarHBondContact O-N 2.85Å
339N25.5Very low28Very low175 Ų175159.3 Ų159.394%0.93684%0.844SS**  trans-63.9121.8163.6-78.4-13.1000108.9
340S28.2Very low28.3Very low103 Ų103162.6 Ų162.672%0.7285%0.845SS**  trans-155106.3161.1-173.70000110.9G338 V342G338-S340 PolarHBondContact O-N 2.85Å; S340-V342 PolarHBondContact O-N 3.36Å
341T22.7Very low28.7Very low145 Ų145157.7 Ų157.789%0.8984%0.836SS**  trans-61.4106.7165.3-53.10000109.4
342V30.7Very low29.1Very low127 Ų127154.1 Ų154.177%0.7783%0.829SS**  trans-133129.9165.7-178.50000109.9S340S340-V342 PolarHBondContact O-N 3.36Å
343A25Very low29.6Very low86 Ų86152.9 Ų152.971%0.71182%0.822SS**  trans-54.8152.7-166.700000116.3S345A343-S345 PolarHBondContact O-N 3.31Å
344P28.7Very low29.8Very low133 Ų133155 Ų15586%0.86482%0.82SS**  trans-89.895.6178.734.9-28.6000110.1
345S26.7Very low30Very low111 Ų111152.5 Ų152.578%0.77682%0.815SS**  trans-165.396.5156.9-158.80000111.2A343A343-S345 PolarHBondContact O-N 3.31Å
346R33.6Very low30.1Very low238 Ų238148.2 Ų148.290%0.89880%0.802SS**  trans-167112.3145.5-103156.8-163.5-157.45.7108.5R348R346-R348 PolarHBondContact O-N 3.11Å
347K33.7Very low30.2Very low220 Ų220145.2 Ų145.296%0.95780%0.8SS**  trans-43.594.7168.4-63178.6177-179.30110.1
348R34.5Very low30.5Very low231 Ų231143 Ų14387%0.87279%0.794SS**  trans-104.8110.8165.6-90.2-174.1153.9179.6-6.4107.5R346 R350R346-R348 PolarHBondContact O-N 3.11Å; R348-R350 VanDerWaalsContact C-N 3.25Å; R348-R350 PolarHBondContact O-N 2.78Å
349K33.8Very low30.9Very low215 Ų215142.3 Ų142.394%0.93578%0.781SS**  trans-50.892162.9-74.8177.9171.5-179.40107.6S351K349-S351 PolarHBondContact O-N 3.48Å
350R32.7Very low31.6Very low218 Ų218141.2 Ų141.282%0.82377%0.77SS**  trans-85.494.2172.4-153.7172.8-169.7172.51105.4R348 H352R348-R350 VanDerWaalsContact C-N 3.25Å; R348-R350 PolarHBondContact O-N 2.78Å; R350-H352 PolarHBondContact O-N 3.11Å; R350-H352 VanDerWaalsContact O-N 3.07Å
351S35Very low32.3Very low98 Ų98142.9 Ų142.969%0.68577%0.771SS**  trans-47112.9159.645.10000107.5K349 S353K349-S351 PolarHBondContact O-N 3.48Å; S351-S353 PolarHBondContact O-N 3.08Å
352H32.3Very low33.3Very low164 Ų164142.2 Ų142.276%0.75976%0.762SS**  trans-69.781.6168.6-74.7-73.7000107.6R350 T354R350-H352 PolarHBondContact O-N 3.11Å; R350-H352 VanDerWaalsContact O-N 3.07Å; H352-T354 PolarHBondContact O-N 3.37Å
353S31.1Very low34Very low104 Ų104140.4 Ų140.473%0.72776%0.755SS**  trans-73.578.9152.657.60000105.8S351 S355S351-S353 PolarHBondContact O-N 3.08Å; S353-S355 PolarHBondContact O-N 3.28Å
354T29.9Very low34.8Very low118 Ų118145.2 Ų145.272%0.72476%0.756SS**  trans-6892.9155.340.70000104.8H352 A356H352-T354 PolarHBondContact O-N 3.37Å; T354-A356 PolarHBondContact O-N 3.48Å
355S30.3Very low35.8Very low99 Ų99143.7 Ų143.769%0.69274%0.739SS**  trans-59.689.6152.848.10000104.7S353 T357S353-S355 PolarHBondContact O-N 3.28Å; S355-T357 PolarHBondContact O-N 3.14Å
356A33.6Very low37.1Very low77 Ų77142 Ų14264%0.63672%0.722SS**  trans-54.791152.900000103.8T354 D358T354-A356 PolarHBondContact O-N 3.48Å; A356-D358 PolarHBondContact O-N 2.77Å
357T32.8Very low37.9Very low121 Ų121134.9 Ų134.974%0.74271%0.705SS**  trans-61.4102.8152.620.60000101.2S355 A359S355-T357 PolarHBondContact O-N 3.14Å; T357-A359 PolarHBondContact O-N 3.47Å
358D32.3Very low39.2Very low143 Ų143131 Ų13177%0.76569%0.688SS**  trans-58.969.5157.9-74.6-38.7000106A356 E360A356-D358 PolarHBondContact O-N 2.77Å; D358-E360 PolarHBondContact O-N 3.38Å
359A36.5Very low40.7Very low63 Ų63124.4 Ų124.452%0.52167%0.667SS.*  trans-62.591.9149.100000102.3T357 D361T357-A359 PolarHBondContact O-N 3.47Å; A359-D361 PolarHBondContact O-N 2.7Å
360E40.2Very low42.1Very low151 Ų151118 Ų11871%0.70664%0.643SS**  trans-47.368.6145.8-73.7-86140.600107.3D358 N362D358-E360 PolarHBondContact O-N 3.38Å; E360-N362 PolarHBondContact O-N 3.34Å
361D43Very low43.1Very low138 Ų138111.3 Ų111.374%0.73863%0.629SS**  trans-67.978.3164.3-83.9-20.8000103.4A359 S363A359-D361 PolarHBondContact O-N 2.7Å; D361-S363 PolarHBondContact O-N 3.17Å
362N42.2Very low44.3Very low132 Ų132112.3 Ų112.371%0.70662%0.622SS**  trans-63.849.4154.7-74.7-56.4000108.3E360 Y364E360-N362 PolarHBondContact O-N 3.34Å; N362-Y364 PolarHBondContact O-N 2.72Å
363S46.8Very low45.5Very low88 Ų88112.2 Ų112.262%0.61562%0.615SS**  trans-61.485.1156175.90000104.4D361 I365D361-S363 PolarHBondContact O-N 3.17Å; S363-I365 PolarHBondContact O-N 2.67Å
364Y40.8Very low46.9Very low187 Ų187111 Ų11173%0.73360%0.6SS**  trans-54.393.5158.4-178-95.1000105.2N362 D366N362-Y364 PolarHBondContact O-N 2.72Å; Y364-D366 VanDerWaalsContact C-N 3.35Å; Y364-D366 PolarHBondContact O-N 2.67Å
365I51Low48Very low101 Ų101108.3 Ų108.352%0.51859%0.586SS.*  trans-62.8108.1168.2-74.3171.6000103.8S363 T367 L370S363-I365 PolarHBondContact O-N 2.67Å; I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 2.78Å; I365-L370 HydrophobicContact CG2-CB 4.04Å; I365-L370 HydrophobicContact CG2-CD2 4.17Å
366D54.1Low49Very low75 Ų75112 Ų11240%0.40159%0.586SS.*  trans-57102.7173.7-173.9-10.2000107.2Y364 K368 E369 L370Y364-D366 VanDerWaalsContact C-N 3.35Å; Y364-D366 PolarHBondContact O-N 2.67Å; D366-K368 PolarHBondContact O-N 3.24Å; D366-K368 VanDerWaalsContact OD1-CB 3.27Å; D366-K368 WeakPolarHBondContact OD1-CB 3.45Å; D366-K368 PolarHBondContact OD1-N 2.95Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; D366-E369 HydrophobicContact CB-CB 4.25Å; D366-E369 PolarHBondContact O-N 2.83Å; D366-L370 PolarHBondContact O-N 2.76Å; D366-L370 VanDerWaalsContact O-N 3.08Å
367T49.6Very low50Low90 Ų90113.9 Ų113.955%0.55258%0.581SS**Hα-helixtrans-56.1-25.2-176.749.60000111.7I365 C371I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 2.78Å; T367-C371 WeakPolarHBondContact O-CB 3.35Å; T367-C371 PolarHBondContact O-N 2.83Å; T367-C371 PolarHBondContact O-SG 2.91Å; T367-C371 VanDerWaalsContact O-SG 3.38Å
368K60.2Low50.9Low137 Ų137113.8 Ų113.860%0.59658%0.576SS**Hα-helixtrans-67.9-47.9174.2-168.8-174.4174.3-165.80111.7D366 L370 C371 E372D366-K368 PolarHBondContact O-N 3.24Å; D366-K368 VanDerWaalsContact OD1-CB 3.27Å; D366-K368 WeakPolarHBondContact OD1-CB 3.45Å; D366-K368 PolarHBondContact OD1-N 2.95Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; K368-L370 VanDerWaalsContact C-N 3.32Å; K368-L370 PolarHBondContact O-N 3.41Å; K368-C371 PolarHBondContact O-N 3.36Å; K368-E372 PolarHBondContact O-N 2.99Å
369E65.6Low51.7Low93 Ų93116.7 Ų116.744%0.43558%0.576SS.*Hα-helixtrans-63-41177.6-167-170.216300110.9D366 C371 E372 R373D366-E369 HydrophobicContact CB-CB 4.25Å; D366-E369 PolarHBondContact O-N 2.83Å; E369-C371 PolarHBondContact O-N 3.2Å; E369-E372 PolarHBondContact O-N 2.82Å; E369-R373 PolarHBondContact O-N 3.24Å; E369-R373 IonicContact OE1-CZ 3.3Å; E369-R373 VanDerWaalsContact OE1-CZ 3.28Å; E369-R373 IonicContact OE1-NE 2.98Å; E369-R373 PolarHBondContact OE1-NE 3.26Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.97Å
370L63.2Low52.5Low82 Ų82116.9 Ų116.943%0.42957%0.574SS.*Hα-helixtrans-62.3-44.3175.9-176.366.7000111.5I365 D366 K368 R373 I374I365-L370 HydrophobicContact CG2-CB 4.04Å; I365-L370 HydrophobicContact CG2-CD2 4.17Å; D366-L370 PolarHBondContact O-N 2.76Å; D366-L370 VanDerWaalsContact O-N 3.08Å; K368-L370 VanDerWaalsContact C-N 3.32Å; K368-L370 PolarHBondContact O-N 3.41Å; L370-R373 PolarHBondContact O-N 2.85Å; L370-I374 HydrophobicContact CD1-CD1 4.16Å; L370-I374 HydrophobicContact CD1-CG1 4.49Å; L370-I374 HydrophobicContact CG-CD1 3.9Å; L370-I374 WeakPolarHBondContact O-CB 3.27Å; L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 2.92Å
371C55.5Low52.8Low77 Ų77114.9 Ų114.952%0.5256%0.564SS.*Hα-helixtrans-64.2-39.6176.4-820000112.5T367 K368 E369 S375T367-C371 WeakPolarHBondContact O-CB 3.35Å; T367-C371 PolarHBondContact O-N 2.83Å; T367-C371 PolarHBondContact O-SG 2.91Å; T367-C371 VanDerWaalsContact O-SG 3.38Å; K368-C371 PolarHBondContact O-N 3.36Å; E369-C371 PolarHBondContact O-N 3.2Å; C371-S375 VanDerWaalsContact O-CB 3.26Å; C371-S375 WeakPolarHBondContact O-CB 3.36Å; C371-S375 PolarHBondContact O-N 3.46Å; C371-S375 PolarHBondContact O-OG 3.08Å
372E59.7Low52.6Low119 Ų119113.5 Ų113.556%0.55656%0.561SS**Hα-helixtrans-64.6-44.8174.8-79.7179.9-17200111.5K368 E369 S375 Y376K368-E372 PolarHBondContact O-N 2.99Å; E369-E372 PolarHBondContact O-N 2.82Å; E372-S375 PolarHBondContact O-N 2.86Å; E372-Y376 WeakPolarHBondContact O-CB 3.36Å; E372-Y376 PolarHBondContact O-N 3.15Å
373R57.7Low52.2Low161 Ų161111.9 Ų111.961%0.60855%0.551SS**Hα-helixtrans-60-48.2175.4-79.5-174.2-173-175.65.2112.2E369 L370 S375 Y376 E377E369-R373 PolarHBondContact O-N 3.24Å; E369-R373 IonicContact OE1-CZ 3.3Å; E369-R373 VanDerWaalsContact OE1-CZ 3.28Å; E369-R373 IonicContact OE1-NE 2.98Å; E369-R373 PolarHBondContact OE1-NE 3.26Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.97Å; L370-R373 PolarHBondContact O-N 2.85Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.12Å; R373-Y376 PolarHBondContact O-N 3.45Å; R373-E377 PolarHBondContact O-N 3.47Å
374I59.2Low51.6Low80 Ų80111.4 Ų111.441%0.4155%0.548SS..Hα-helixtrans-62.9-40.8178.2-67.4167.6000110.5L370 E377 L378L370-I374 HydrophobicContact CD1-CD1 4.16Å; L370-I374 HydrophobicContact CD1-CG1 4.49Å; L370-I374 HydrophobicContact CG-CD1 3.9Å; L370-I374 WeakPolarHBondContact O-CB 3.27Å; L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 2.92Å; I374-E377 PolarHBondContact O-N 3.06Å; I374-L378 HydrophobicContact CG2-CD1 3.67Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.29Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.34Å; I374-L378 PolarHBondContact O-N 3.05Å
375S53.8Low51.3Low60 Ų60111.9 Ų111.942%0.4256%0.557SS.*Hα-helixtrans-66.5-39.1178.9-60.30000112C371 E372 R373 R379C371-S375 VanDerWaalsContact O-CB 3.26Å; C371-S375 WeakPolarHBondContact O-CB 3.36Å; C371-S375 PolarHBondContact O-N 3.46Å; C371-S375 PolarHBondContact O-OG 3.08Å; E372-S375 PolarHBondContact O-N 2.86Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.12Å; S375-R379 WeakPolarHBondContact O-CB 3.43Å; S375-R379 WeakPolarHBondContact O-CG 3.26Å; S375-R379 PolarHBondContact O-N 2.7Å
376Y50.7Low50.2Low176 Ų176111.1 Ų111.169%0.6957%0.565SS**Hα-helixtrans-65.8-45.2175.5-175.2-96.3000111.3E372 R373 R379 S380E372-Y376 WeakPolarHBondContact O-CB 3.36Å; E372-Y376 PolarHBondContact O-N 3.15Å; R373-Y376 PolarHBondContact O-N 3.45Å; Y376-R379 PolarHBondContact O-N 3.48Å; Y376-S380 WeakPolarHBondContact O-CB 3.32Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 3.23Å
377E55.1Low49Very low117 Ų117112.3 Ų112.355%0.54758%0.576SS.*Hα-helixtrans-64.8-42.2175.3-77.3-169.4170.200112.3R373 I374 R379 S380 H381R373-E377 PolarHBondContact O-N 3.47Å; I374-E377 PolarHBondContact O-N 3.06Å; E377-R379 VanDerWaalsContact C-N 3.35Å; E377-R379 PolarHBondContact O-N 3.4Å; E377-S380 WeakPolarHBondContact CA-OG 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; E377-S380 PolarHBondContact O-OG 2.92Å; E377-S380 VanDerWaalsContact O-OG 3.09Å; E377-H381 WeakPolarHBondContact O-CB 3.44Å; E377-H381 PolarHBondContact O-CD2 3.05Å; E377-H381 VanDerWaalsContact O-CG 3.25Å; E377-H381 PolarHBondContact O-N 3.27Å
378L51.2Low47.9Very low119 Ų119115.7 Ų115.762%0.62358%0.583SS**Hα-helixtrans-66.5-36.6177.3-73.7173.1000112.3I374 H381 T382I374-L378 HydrophobicContact CG2-CD1 3.67Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.29Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.34Å; I374-L378 PolarHBondContact O-N 3.05Å; L378-H381 CarbonylContact O-C 3.29Å; L378-H381 VanDerWaalsContact O-C 3.29Å; L378-T382 PolarHBondContact O-N 2.9Å
379R50.4Low46.4Very low205 Ų205113.8 Ų113.877%0.77459%0.593SS**Hα-helixtrans-72.5-36.7175-83.4-176.9176.3154.8-0.4112.7S375 Y376 E377 H381 T382S375-R379 WeakPolarHBondContact O-CB 3.43Å; S375-R379 WeakPolarHBondContact O-CG 3.26Å; S375-R379 PolarHBondContact O-N 2.7Å; Y376-R379 PolarHBondContact O-N 3.48Å; E377-R379 VanDerWaalsContact C-N 3.35Å; E377-R379 PolarHBondContact O-N 3.4Å; R379-H381 VanDerWaalsContact C-N 3.29Å; R379-T382 WeakPolarHBondContact O-CG2 3.28Å; R379-T382 PolarHBondContact O-N 2.89Å
380S52.3Low44.6Very low67 Ų67113.6 Ų113.647%0.46961%0.607SS.*Hα-helixtrans-73.8-26.3175.368.60000111.8Y376 E377Y376-S380 WeakPolarHBondContact O-CB 3.32Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 3.23Å; E377-S380 WeakPolarHBondContact CA-OG 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; E377-S380 PolarHBondContact O-OG 2.92Å; E377-S380 VanDerWaalsContact O-OG 3.09Å
381H46.5Very low42.8Very low109 Ų109120.7 Ų120.751%0.50563%0.628SS.*THydrogen-bonded Turntrans-96.640.6171.1-60-48.5000112.6E377 L378 R379 I383E377-H381 WeakPolarHBondContact O-CB 3.44Å; E377-H381 PolarHBondContact O-CD2 3.05Å; E377-H381 VanDerWaalsContact O-CG 3.25Å; E377-H381 PolarHBondContact O-N 3.27Å; L378-H381 CarbonylContact O-C 3.29Å; L378-H381 VanDerWaalsContact O-C 3.29Å; R379-H381 VanDerWaalsContact C-N 3.29Å; H381-I383 PolarHBondContact O-N 2.87Å
382T38.8Very low41.8Very low109 Ų109122.6 Ų122.667%0.66963%0.633SS**  trans-61.285.4159.848.80000108.3L378 R379 S384L378-T382 PolarHBondContact O-N 2.9Å; R379-T382 WeakPolarHBondContact O-CG2 3.28Å; R379-T382 PolarHBondContact O-N 2.89Å; T382-S384 PolarHBondContact O-N 3.33Å; T382-S384 VanDerWaalsContact O-N 3.15Å
383I35.4Very low40.2Very low97 Ų97119.9 Ų119.950%0.49764%0.637SS.*  trans-53.4118.7161.3-67.8164000104.3H381 Q385 F388H381-I383 PolarHBondContact O-N 2.87Å; I383-Q385 PolarHBondContact O-N 3.47Å; I383-Q385 VanDerWaalsContact O-N 3.12Å; I383-F388 HydrophobicContact CB-CE2 4.48Å; I383-F388 HydrophobicContact CD1-CE2 3.95Å; I383-F388 HydrophobicContact CD1-CZ 4.39Å; I383-F388 HydrophobicContact CG2-CD2 4.27Å; I383-F388 HydrophobicContact CG2-CE2 3.97Å
384S33.5Very low38.9Very low79 Ų79121.6 Ų121.655%0.55265%0.649SS**  trans-46.4126.6173.563.50000107.6T382 A386T382-S384 PolarHBondContact O-N 3.33Å; T382-S384 VanDerWaalsContact O-N 3.15Å; S384-A386 PolarHBondContact O-N 3.23Å
385Q34.2Very low37.6Very low197 Ų197128.3 Ų128.392%0.92167%0.67SS**THydrogen-bonded Turntrans-53.2-3.1-175.3-80.4-178.8-14.500115.1I383I383-Q385 PolarHBondContact O-N 3.47Å; I383-Q385 VanDerWaalsContact O-N 3.12Å
386A28.3Very low36.4Very low85 Ų85129.9 Ų129.970%0.70268%0.677SS**THydrogen-bonded Turntrans-74.9-23.2-177.100000115.7S384S384-A386 PolarHBondContact O-N 3.23Å
387T27.9Very low35.5Very low100 Ų100127.1 Ų127.161%0.61367%0.673SS**SBendtrans-96.5-11-166.3-13.50000116.1A389T387-A389 PolarHBondContact O-N 2.85Å
388F26.9Very low34.4Very low160 Ų160129.9 Ų129.970%0.70268%0.683SS**THydrogen-bonded Turntrans-82.7-9.2-174.8-89.4-77.3000115.5I383I383-F388 HydrophobicContact CB-CE2 4.48Å; I383-F388 HydrophobicContact CD1-CE2 3.95Å; I383-F388 HydrophobicContact CD1-CZ 4.39Å; I383-F388 HydrophobicContact CG2-CD2 4.27Å; I383-F388 HydrophobicContact CG2-CE2 3.97Å
389A27.9Very low33.3Very low98 Ų98134.4 Ų134.481%0.8169%0.692SS**THydrogen-bonded Turntrans-80-23.5-17800000114.1T387T387-A389 PolarHBondContact O-N 2.85Å
390A27.9Very low32.4Very low88 Ų88127.6 Ų127.673%0.72768%0.679SS**SBendtrans-106.2-19.9-156.900000117.7
391R26.6Very low31.4Very low231 Ų231133.1 Ų133.187%0.87269%0.69SS**SBendtrans-132.1-28.8-169.6-97.6177.2162.7143.4-3.5119.2
392D33.2Very low30.8Very low118 Ų118136 Ų13663%0.63170%0.702SS**  trans-11916.4-175.6-67.8-50000115.1F394 R395D392-F394 PolarHBondContact O-N 3.49Å; D392-R395 PolarHBondContact O-N 3.09Å
393G27.2Very low30.6Very low62 Ų62135.7 Ų135.764%0.63970%0.699SS**THydrogen-bonded Turntrans-60-0.4-175.900000116.9
394F29.2Very low30.6Very low197 Ų197134.3 Ų134.386%0.86470%0.702SS**THydrogen-bonded Turntrans-124.7-9.6-177.6-117.2-93.5000117.3D392D392-F394 PolarHBondContact O-N 3.49Å
395R32.2Very low30.4Very low221 Ų221132.8 Ų132.883%0.83470%0.699SS**THydrogen-bonded Turntrans-113.4-36.1-179.6-74.7-173.2-176.1-170.72.5114.4D392 L397 K398D392-R395 PolarHBondContact O-N 3.09Å; R395-L397 PolarHBondContact O-N 2.77Å; R395-K398 PolarHBondContact O-N 2.92Å
396T29Very low30.5Very low93 Ų93127 Ų12757%0.57168%0.677SS**Hα-helixtrans-77-26.4-171-33.70000112.8K398 R399 A400T396-K398 PolarHBondContact O-N 3.02Å; T396-R399 PolarHBondContact O-N 3.15Å; T396-R399 VanDerWaalsContact O-N 3.17Å; T396-A400 PolarHBondContact O-N 3.13Å
397L32.6Very low30.8Very low118 Ų118130.6 Ų130.662%0.61868%0.677SS**Hα-helixtrans-65.7-24.6178.8-140.485.8000113.3R395 R401R395-L397 PolarHBondContact O-N 2.77Å; L397-R401 PolarHBondContact O-N 2.76Å
398K30.9Very low31Very low175 Ų175135.2 Ų135.276%0.76168%0.683SS**Hα-helixtrans-71-31.8175.8-86.7-172177.2-179.70112.8R395 T396R395-K398 PolarHBondContact O-N 2.92Å; T396-K398 PolarHBondContact O-N 3.02Å
399R29.3Very low31.3Very low214 Ų214137.4 Ų137.481%0.80869%0.687SS**Hα-helixtrans-80.7-34.2178.8-79.2-174.7174.1175.9-2112.7T396 R401 F402T396-R399 PolarHBondContact O-N 3.15Å; T396-R399 VanDerWaalsContact O-N 3.17Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.12Å; R399-F402 PolarHBondContact O-N 3.05Å
400A30.4Very low31.6Very low61 Ų61138.1 Ų138.150%0.50468%0.676SS.*Hα-helixtrans-64.9-32.3176.400000113.1T396 F402 V403 A404T396-A400 PolarHBondContact O-N 3.13Å; A400-F402 PolarHBondContact O-N 3.12Å; A400-V403 PolarHBondContact O-N 2.84Å; A400-A404 PolarHBondContact O-N 3.05Å
401R32.7Very low32Very low183 Ų183140.5 Ų140.569%0.69168%0.676SS**Hα-helixtrans-60.9-31.1175.9-76.4-175.7-169.6-1762.8113.3L397 R399 G405L397-R401 PolarHBondContact O-N 2.76Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.12Å; R401-G405 PolarHBondContact O-N 3.42Å
402F32Very low32.6Very low171 Ų171136.6 Ų136.675%0.7567%0.671SS**Hα-helixtrans-72.7-31.7-179.5-141.7-91.3000112R399 A400 T406R399-F402 PolarHBondContact O-N 3.05Å; A400-F402 PolarHBondContact O-N 3.12Å; F402-T406 PolarHBondContact O-OG1 3.07Å
403V35.6Very low32.7Very low102 Ų102142 Ų14262%0.61868%0.683SS**Hα-helixtrans-81.6-37.2-177.6-1760000112A400 T406 K407A400-V403 PolarHBondContact O-N 2.84Å; V403-T406 PolarHBondContact O-N 2.78Å; V403-K407 PolarHBondContact O-N 3.03Å
404A34.3Very low33.1Very low68 Ų68150 Ų15056%0.56270%0.701SS**Hα-helixtrans-69.3-35.6178.600000112.8A400 T406 R408A400-A404 PolarHBondContact O-N 3.05Å; A404-T406 VanDerWaalsContact C-N 3.35Å; A404-T406 PolarHBondContact O-N 3.37Å; A404-R408 PolarHBondContact O-N 3.3Å
405G30.5Very low33.2Very low46 Ų46147.7 Ų147.747%0.47469%0.693SS.*Hα-helixtrans-64.1-37.9176.800000113.1R401 R409R401-G405 PolarHBondContact O-N 3.42Å; G405-R409 PolarHBondContact O-N 3.45Å
406T36.1Very low33.3Very low77 Ų77143.8 Ų143.847%0.47269%0.685SS.*Hα-helixtrans-74.4-34.7-178.8-29.90000112.2F402 V403 A404 R408 R409 L410F402-T406 PolarHBondContact O-OG1 3.07Å; V403-T406 PolarHBondContact O-N 2.78Å; A404-T406 VanDerWaalsContact C-N 3.35Å; A404-T406 PolarHBondContact O-N 3.37Å; T406-R408 PolarHBondContact O-N 3.01Å; T406-R409 PolarHBondContact O-N 3.19Å; T406-L410 PolarHBondContact O-N 3.22Å
407K34.6Very low33.5Very low159 Ų159146.7 Ų146.769%0.69169%0.692SS**Hα-helixtrans-62.6-39.1175.6-95.8-172174.4-1750112.7V403 R409 L410 L411V403-K407 PolarHBondContact O-N 3.03Å; K407-R409 PolarHBondContact O-N 3Å; K407-L410 PolarHBondContact O-N 3.12Å; K407-L411 PolarHBondContact O-N 3.12Å; K407-L411 VanDerWaalsContact O-N 3.16Å
408R31.4Very low33.6Very low198 Ų198148.4 Ų148.475%0.74770%0.696SS**Hα-helixtrans-68.3-31.1175.6-94-172.6177.2-178.2-0.6113.4A404 T406 L412A404-R408 PolarHBondContact O-N 3.3Å; T406-R408 PolarHBondContact O-N 3.01Å; R408-L412 PolarHBondContact O-N 3.23Å
409R33.7Very low33.8Very low206 Ų206146.7 Ų146.778%0.77769%0.692SS**Hα-helixtrans-73.8-30.6174.1-85.5-172.1-176.9-179.71.3113.4G405 T406 K407G405-R409 PolarHBondContact O-N 3.45Å; T406-R409 PolarHBondContact O-N 3.19Å; K407-R409 PolarHBondContact O-N 3Å
410L34Very low34.1Very low112 Ų112142.2 Ų142.259%0.58668%0.684SS**Hα-helixtrans-73.5-37177.2-133.487.5000111.8T406 K407 L412 R413T406-L410 PolarHBondContact O-N 3.22Å; K407-L410 PolarHBondContact O-N 3.12Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.3Å; L410-R413 PolarHBondContact O-N 3.24Å
411L36.5Very low34.3Very low138 Ų138148 Ų14872%0.72370%0.697SS**Hα-helixtrans-75.1-12.5179.6-121.4131.6000114.3K407K407-L411 PolarHBondContact O-N 3.12Å; K407-L411 VanDerWaalsContact O-N 3.16Å
412L39.9Very low34.5Very low149 Ų149145.3 Ų145.378%0.7870%0.698SS**THydrogen-bonded Turntrans-92.5-4.1172-91.8154000113R408 L410R408-L412 PolarHBondContact O-N 3.23Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.3Å
413R35.9Very low34.7Very low231 Ų231143.2 Ų143.287%0.87269%0.693SS**THydrogen-bonded Turntrans-100.2-14.9173.8-89-169.9175.3-176.6-2113.6L410L410-R413 PolarHBondContact O-N 3.24Å
414F33.8Very low34.6Very low232 Ų232146.9 Ų146.9100%1.01870%0.7SS**  trans-91.10162.4-80.9-83.9000108.1

Retrieved 414 of 414 residues in 159.8 ms (Link to these results)