A0A087XVU2_POEFO Loading...

Nuclear autoantigenic sperm protein

AlphaFold DB , UniProt , Accession A0A087XVU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 457 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
1M76.4Confident93.9Very high98 Ų9868 Ų6848%0.48335%0.348SS..  0-97.20-157.2176.3-127.800108.1E3 A4 N5 Y38 E44M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.31Å; M1-A4 CarbonylContact O-C 3.38Å; M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 WeakPolarHBondContact O-CB 3.32Å; M1-A4 PolarHBondContact O-N 2.92Å; M1-N5 VanDerWaalsContact C-OD1 3.3Å; M1-N5 PolarHBondContact O-N 3.47Å; M1-N5 PolarHBondContact O-OD1 3.13Å; M1-Y38 WeakPolarHBondContact CE-OH 3.43Å; M1-E44 HydrophobicContact CE-CG 3.88Å
2E89.3Confident94.2Very high178 Ų17867.1 Ų67.183%0.83234%0.339SS*.Hα-helixtrans-43.1-49.7-177.3-171.6176-177.500114.9N5 K6E2-N5 PolarHBondContact O-N 2.91Å; E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.34Å
3E93.8Very high94.5Very high128 Ų12872.7 Ų72.760%0.59836%0.36SS*.Hα-helixtrans-63.6-46175.6-172.1160.7-133.600114M1 K6 L7 M33M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.31Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 3.08Å; E3-L7 PolarHBondContact O-N 3.38Å; E3-M33 HydrophobicContact CB-CE 4.22Å; E3-M33 HydrophobicContact CG-CE 3.95Å; E3-M33 HydrophobicContact CG-SD 4.2Å; E3-M33 WeakPolarHBondContact OE2-CE 3.49Å
4A94.8Very high94.8Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-65-40.2175.200000112.4M1 K6 L7 V8 M33 L34M1-A4 CarbonylContact O-C 3.38Å; M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 WeakPolarHBondContact O-CB 3.32Å; M1-A4 PolarHBondContact O-N 2.92Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 3.08Å; A4-L7 CarbonylContact O-C 3.54Å; A4-L7 WeakPolarHBondContact O-CB 3.04Å; A4-L7 PolarHBondContact O-N 3.39Å; A4-L7 VanDerWaalsContact O-N 3.13Å; A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 3.36Å; A4-M33 HydrophobicContact CB-CB 3.89Å; A4-M33 HydrophobicContact CB-SD 4.13Å; A4-L34 HydrophobicContact CB-CD1 4.21Å; A4-L34 HydrophobicContact CB-CD2 3.94Å; A4-L34 HydrophobicContact CB-CG 3.78Å
5N94.4Very high94.9Very high76 Ų7669.5 Ų69.541%0.40634%0.34SS..Hα-helixtrans-66.5-34.1176.4-65.141.4000110.8M1 E2 V8 G9M1-N5 VanDerWaalsContact C-OD1 3.3Å; M1-N5 PolarHBondContact O-N 3.47Å; M1-N5 PolarHBondContact O-OD1 3.13Å; E2-N5 PolarHBondContact O-N 2.91Å; N5-V8 PolarHBondContact O-N 2.86Å; N5-G9 PolarHBondContact O-N 3.08Å
6K97.1Very high94.9Very high150 Ų15073.4 Ų73.465%0.65237%0.368SS*.Hα-helixtrans-66.8-38.3170.4177.4-169.2172-1630111.8E2 E3 A4 G9 T10E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.34Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 3.08Å; A4-K6 VanDerWaalsContact C-N 3.29Å; A4-K6 PolarHBondContact O-N 3.08Å; K6-G9 PolarHBondContact O-N 2.87Å; K6-T10 WeakPolarHBondContact O-CB 3.05Å; K6-T10 PolarHBondContact O-N 3.46Å; K6-T10 PolarHBondContact O-OG1 3.36Å
7L97.5Very high95Very high31 Ų3173.7 Ų73.716%0.16238%0.375CS..Hα-helixtrans-64.6-45.8171.5-73.6169.7000111.6E3 A4 G9 T10 G11 A26 E29 A30 M33E3-L7 PolarHBondContact O-N 3.38Å; A4-L7 CarbonylContact O-C 3.54Å; A4-L7 WeakPolarHBondContact O-CB 3.04Å; A4-L7 PolarHBondContact O-N 3.39Å; A4-L7 VanDerWaalsContact O-N 3.13Å; L7-G9 PolarHBondContact O-N 3.48Å; L7-T10 CarbonylContact O-C 3.48Å; L7-T10 WeakPolarHBondContact O-CA 3.49Å; L7-T10 WeakPolarHBondContact O-CB 3.2Å; L7-T10 PolarHBondContact O-N 3.34Å; L7-G11 PolarHBondContact O-N 3.17Å; L7-A26 HydrophobicContact CD2-CB 4.46Å; L7-E29 HydrophobicContact CD1-CB 4.1Å; L7-E29 HydrophobicContact CD1-CG 3.7Å; L7-A30 HydrophobicContact CB-CB 3.79Å; L7-M33 HydrophobicContact CD1-SD 3.78Å
8V97.3Very high94.9Very high3 Ų372.8 Ų72.82%0.01839%0.387CS..Hα-helixtrans-54.9-49172.11720000111.3A4 N5 T10 G11 K12 L27 A30 E47 A48A4-V8 WeakPolarHBondContact O-CG2 3.43Å; A4-V8 PolarHBondContact O-N 3.36Å; N5-V8 PolarHBondContact O-N 2.86Å; V8-T10 VanDerWaalsContact C-N 3.25Å; V8-T10 PolarHBondContact O-N 2.92Å; V8-G11 PolarHBondContact O-N 3.42Å; V8-K12 HydrophobicContact CG1-CD 4.24Å; V8-K12 WeakPolarHBondContact O-CB 3.27Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 2.64Å; V8-L27 HydrophobicContact CB-CD2 4.45Å; V8-L27 HydrophobicContact CG1-CD2 4.44Å; V8-L27 HydrophobicContact CG2-CD2 4.38Å; V8-A30 HydrophobicContact CG2-CB 3.72Å; V8-E47 HydrophobicContact CG1-CG 4.2Å; V8-A48 HydrophobicContact CG2-CB 3.71Å
9G97.4Very high95Very high38 Ų3873.7 Ų73.739%0.39239%0.387SS..Hα-helixtrans-61.6-32.2176.100000113.7N5 K6 L7 K13N5-G9 PolarHBondContact O-N 3.08Å; K6-G9 PolarHBondContact O-N 2.87Å; L7-G9 PolarHBondContact O-N 3.48Å; G9-K13 PolarHBondContact O-N 3.37Å
10T97.6Very high95.1Very high46 Ų4671 Ų7128%0.28237%0.374SS..Hα-helixtrans-73.6-44.3176.2-56.60000111.4K6 L7 V8 K13 Y14K6-T10 WeakPolarHBondContact O-CB 3.05Å; K6-T10 PolarHBondContact O-N 3.46Å; K6-T10 PolarHBondContact O-OG1 3.36Å; L7-T10 CarbonylContact O-C 3.48Å; L7-T10 WeakPolarHBondContact O-CA 3.49Å; L7-T10 WeakPolarHBondContact O-CB 3.2Å; L7-T10 PolarHBondContact O-N 3.34Å; V8-T10 VanDerWaalsContact C-N 3.25Å; V8-T10 PolarHBondContact O-N 2.92Å; T10-K13 WeakPolarHBondContact O-CB 3.44Å; T10-K13 PolarHBondContact O-N 3.29Å; T10-Y14 HydrophobicContact CG2-CD2 4.05Å; T10-Y14 HydrophobicContact CG2-CE1 4.45Å; T10-Y14 HydrophobicContact CG2-CE2 3.55Å; T10-Y14 PolarHBondContact O-N 2.99Å
11G97.6Very high95.1Very high0 Ų072 Ų720%038%0.382CS..Hα-helixtrans-63.3-43.7175.700000113L7 V8 K13 Y14 L15 A23L7-G11 PolarHBondContact O-N 3.17Å; V8-G11 PolarHBondContact O-N 3.42Å; G11-K13 VanDerWaalsContact C-N 3.3Å; G11-K13 PolarHBondContact O-N 2.94Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.65Å; G11-Y14 VanDerWaalsContact O-N 3.07Å; G11-L15 PolarHBondContact O-N 3.15Å; G11-A23 WeakPolarHBondContact O-CB 3.49Å
12K97.6Very high96.1Very high57 Ų5770.8 Ų70.825%0.24838%0.376CS..Hα-helixtrans-53-47.1170.2-75.2175177.9-173.60112V8 Y14 L15 V16 E47 W51V8-K12 HydrophobicContact CG1-CD 4.24Å; V8-K12 WeakPolarHBondContact O-CB 3.27Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 2.64Å; K12-Y14 VanDerWaalsContact C-N 3.34Å; K12-L15 PolarHBondContact O-N 3.28Å; K12-V16 WeakPolarHBondContact O-CG2 3.46Å; K12-V16 PolarHBondContact O-N 2.86Å; K12-E47 IonicContact NZ-OE1 3.26Å; K12-E47 PolarHBondContact NZ-OE1 3.2Å; K12-W51 HydrophobicContact CD-CD2 4.39Å; K12-W51 VanDerWaalsContact CE-CE2 3.47Å; K12-W51 HydrophobicContact CG-CD2 3.81Å; K12-W51 HydrophobicContact CG-CE3 3.96Å; K12-W51 HydrophobicContact CG-CG 4.13Å; K12-W51 HydrophobicContact CG-CZ3 4.4Å
13K97.9Very high96.6Very high140 Ų14062.3 Ų62.361%0.60934%0.336SS*.Hα-helixtrans-62.6-41.7176.6-179.9-174.2174.1-173.20111.4G9 T10 G11 V16 T17G9-K13 PolarHBondContact O-N 3.37Å; T10-K13 WeakPolarHBondContact O-CB 3.44Å; T10-K13 PolarHBondContact O-N 3.29Å; G11-K13 VanDerWaalsContact C-N 3.3Å; G11-K13 PolarHBondContact O-N 2.94Å; K13-V16 PolarHBondContact O-N 3.17Å; K13-T17 PolarHBondContact O-N 3.3Å; K13-T17 VanDerWaalsContact O-N 3.09Å; K13-T17 PolarHBondContact O-OG1 3.27Å
14Y98Very high96.7Very high77 Ų7756.7 Ų56.730%0.30231%0.31SS..Hα-helixtrans-61.5-44.9178.1-72.9-32.4000112.1T10 G11 K12 V16 T17 G18 K19 E22T10-Y14 HydrophobicContact CG2-CD2 4.05Å; T10-Y14 HydrophobicContact CG2-CE1 4.45Å; T10-Y14 HydrophobicContact CG2-CE2 3.55Å; T10-Y14 PolarHBondContact O-N 2.99Å; G11-Y14 WeakPolarHBondContact O-CB 3.42Å; G11-Y14 PolarHBondContact O-N 2.65Å; G11-Y14 VanDerWaalsContact O-N 3.07Å; K12-Y14 VanDerWaalsContact C-N 3.34Å; Y14-V16 PolarHBondContact O-N 2.95Å; Y14-T17 WeakPolarHBondContact CA-OG1 3.29Å; Y14-T17 CarbonylContact O-C 3.57Å; Y14-T17 WeakPolarHBondContact O-CA 3.28Å; Y14-T17 PolarHBondContact O-N 2.91Å; Y14-T17 PolarHBondContact O-OG1 3.44Å; Y14-G18 PolarHBondContact O-N 3.47Å; Y14-G18 VanDerWaalsContact O-N 3.15Å; Y14-K19 HydrophobicContact CD1-CB 4.15Å; Y14-K19 HydrophobicContact CD1-CD 3.83Å; Y14-K19 HydrophobicContact CE1-CD 4.24Å; Y14-K19 HydrophobicContact CG-CB 4.21Å; Y14-K19 WeakPolarHBondContact O-CB 3.42Å; Y14-K19 PolarHBondContact O-N 2.94Å; Y14-E22 HydrophobicContact CD2-CB 3.67Å; Y14-E22 WeakPolarHBondContact CD2-O 3.49Å; Y14-E22 HydrophobicContact CE2-CB 3.77Å; Y14-E22 HydrophobicContact CG-CB 4.1Å
15L96.1Very high96.9Very high21 Ų2160.2 Ų60.211%0.1134%0.335CS..Hα-helixtrans-55.1-48.1172.5-66.2176.2000112.3G11 K12 T17 G18 V20 A23 L27 W51 K54 A55G11-L15 PolarHBondContact O-N 3.15Å; K12-L15 PolarHBondContact O-N 3.28Å; L15-T17 PolarHBondContact O-N 3.34Å; L15-T17 VanDerWaalsContact O-N 3.17Å; L15-G18 PolarHBondContact O-N 3.14Å; L15-V20 HydrophobicContact CD2-CG1 4.49Å; L15-A23 HydrophobicContact CD2-CB 3.57Å; L15-A23 HydrophobicContact CG-CB 3.68Å; L15-L27 HydrophobicContact CD1-CD1 4.5Å; L15-W51 HydrophobicContact CD1-CE3 3.86Å; L15-W51 HydrophobicContact CD1-CZ3 4.2Å; L15-K54 HydrophobicContact CD1-CD 4.47Å; L15-A55 HydrophobicContact CD1-CB 4.25Å; L15-A55 HydrophobicContact CD2-CB 3.81Å; L15-A55 HydrophobicContact CG-CB 4.45Å
16V95.8Very high97Very high132 Ų13257 Ų5780%0.832%0.319SS*.Hα-helixtrans-62.1-22.9177.3174.40000112.5K12 K13 Y14K12-V16 WeakPolarHBondContact O-CG2 3.46Å; K12-V16 PolarHBondContact O-N 2.86Å; K13-V16 PolarHBondContact O-N 3.17Å; Y14-V16 PolarHBondContact O-N 2.95Å
17T96.1Very high97.1Very high78 Ų7849.9 Ų49.948%0.47929%0.288SS..THydrogen-bonded Turntrans-97.810.8174.259.10000114.7K13 Y14 L15 K19K13-T17 PolarHBondContact O-N 3.3Å; K13-T17 VanDerWaalsContact O-N 3.09Å; K13-T17 PolarHBondContact O-OG1 3.27Å; Y14-T17 WeakPolarHBondContact CA-OG1 3.29Å; Y14-T17 CarbonylContact O-C 3.57Å; Y14-T17 WeakPolarHBondContact O-CA 3.28Å; Y14-T17 PolarHBondContact O-N 2.91Å; Y14-T17 PolarHBondContact O-OG1 3.44Å; L15-T17 PolarHBondContact O-N 3.34Å; L15-T17 VanDerWaalsContact O-N 3.17Å; T17-K19 PolarHBondContact O-N 3.34Å
18G93.5Very high97.1Very high57 Ų5752.2 Ų52.259%0.58830%0.298SS*.THydrogen-bonded Turntrans69.714.5-178.400000114.9Y14 L15 V20Y14-G18 PolarHBondContact O-N 3.47Å; Y14-G18 VanDerWaalsContact O-N 3.15Å; L15-G18 PolarHBondContact O-N 3.14Å; G18-V20 VanDerWaalsContact C-N 3.34Å; G18-V20 PolarHBondContact O-N 3.47Å
19K96.6Very high97.1Very high90 Ų9057.5 Ų57.539%0.39132%0.322SS..  trans-91.364.4-177.9-75.8-177.3159-66.70110.9Y14 T17 E22 A23Y14-K19 HydrophobicContact CD1-CB 4.15Å; Y14-K19 HydrophobicContact CD1-CD 3.83Å; Y14-K19 HydrophobicContact CE1-CD 4.24Å; Y14-K19 HydrophobicContact CG-CB 4.21Å; Y14-K19 WeakPolarHBondContact O-CB 3.42Å; Y14-K19 PolarHBondContact O-N 2.94Å; T17-K19 PolarHBondContact O-N 3.34Å; K19-E22 HydrophobicContact CB-CB 4.46Å; K19-E22 WeakPolarHBondContact CB-OE2 3.22Å; K19-E22 WeakPolarHBondContact CD-OE1 3.45Å; K19-E22 IonicContact NZ-OE1 2.59Å; K19-E22 PolarHBondContact NZ-OE1 3.03Å; K19-E22 PolarHBondContact O-N 2.96Å; K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.16Å
20V96.3Very high97.1Very high20 Ų2055.7 Ų55.712%0.12130%0.304CS..Hα-helixtrans-64.8-44.6-167.5-169.90000112L15 G18 E22 A23 V24 A55 D58 L59L15-V20 HydrophobicContact CD2-CG1 4.49Å; G18-V20 VanDerWaalsContact C-N 3.34Å; G18-V20 PolarHBondContact O-N 3.47Å; V20-E22 PolarHBondContact O-N 3.18Å; V20-A23 WeakPolarHBondContact O-CB 3.48Å; V20-A23 PolarHBondContact O-N 3.22Å; V20-A23 VanDerWaalsContact O-N 3.14Å; V20-V24 WeakPolarHBondContact O-CG2 3.3Å; V20-V24 PolarHBondContact O-N 2.97Å; V20-A55 WeakPolarHBondContact CG1-O 3.42Å; V20-D58 HydrophobicContact CG1-CB 4Å; V20-L59 HydrophobicContact CG1-CB 3.79Å; V20-L59 HydrophobicContact CG1-CD1 4.44Å
21V96.5Very high97.1Very high91 Ų9153.7 Ų53.755%0.55229%0.292SS*.Hα-helixtrans-62.2-45.5178.9-177.60000111.6A23 V24 S25 L59V21-A23 VanDerWaalsContact C-N 3.28Å; V21-A23 PolarHBondContact O-N 3.24Å; V21-V24 PolarHBondContact O-N 2.61Å; V21-S25 PolarHBondContact O-N 2.78Å; V21-S25 VanDerWaalsContact O-N 3.1Å; V21-L59 HydrophobicContact CG2-CD1 3.98Å
22E97.7Very high97.1Very high74 Ų7454.8 Ų54.835%0.34630%0.303SS..Hα-helixtrans-68.9-27.9176.2-55.6109.5114.100112.7Y14 K19 V20 A26Y14-E22 HydrophobicContact CD2-CB 3.67Å; Y14-E22 WeakPolarHBondContact CD2-O 3.49Å; Y14-E22 HydrophobicContact CE2-CB 3.77Å; Y14-E22 HydrophobicContact CG-CB 4.1Å; K19-E22 HydrophobicContact CB-CB 4.46Å; K19-E22 WeakPolarHBondContact CB-OE2 3.22Å; K19-E22 WeakPolarHBondContact CD-OE1 3.45Å; K19-E22 IonicContact NZ-OE1 2.59Å; K19-E22 PolarHBondContact NZ-OE1 3.03Å; K19-E22 PolarHBondContact O-N 2.96Å; V20-E22 PolarHBondContact O-N 3.18Å; E22-A26 WeakPolarHBondContact O-CB 3.42Å; E22-A26 PolarHBondContact O-N 3.08Å
23A97.8Very high97Very high0 Ų055.1 Ų55.10%031%0.306CS..Hα-helixtrans-66.7-51.1172.600000111.7G11 L15 K19 V20 V21 S25 A26 L27 A55G11-A23 WeakPolarHBondContact O-CB 3.49Å; L15-A23 HydrophobicContact CD2-CB 3.57Å; L15-A23 HydrophobicContact CG-CB 3.68Å; K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.16Å; V20-A23 WeakPolarHBondContact O-CB 3.48Å; V20-A23 PolarHBondContact O-N 3.22Å; V20-A23 VanDerWaalsContact O-N 3.14Å; V21-A23 VanDerWaalsContact C-N 3.28Å; V21-A23 PolarHBondContact O-N 3.24Å; A23-S25 VanDerWaalsContact C-N 3.34Å; A23-S25 PolarHBondContact O-N 2.96Å; A23-A26 PolarHBondContact O-N 3.16Å; A23-L27 HydrophobicContact CB-CD1 4.35Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 WeakPolarHBondContact O-CD1 3.46Å; A23-L27 VanDerWaalsContact O-CG 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 3.07Å; A23-A55 HydrophobicContact CB-CB 4.4Å
24V97.8Very high96.9Very high9 Ų948.6 Ų48.66%0.05528%0.278CS..Hα-helixtrans-54.6-51177.1169.60000110.2V20 V21 A26 L27 Q28 A55 L56 L59V20-V24 WeakPolarHBondContact O-CG2 3.3Å; V20-V24 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 2.61Å; V24-A26 PolarHBondContact O-N 2.7Å; V24-L27 PolarHBondContact O-N 3.39Å; V24-Q28 HydrophobicContact CG1-CG 4.12Å; V24-Q28 WeakPolarHBondContact O-CB 3.38Å; V24-Q28 WeakPolarHBondContact O-CG 3.39Å; V24-Q28 PolarHBondContact O-N 2.81Å; V24-A55 HydrophobicContact CG2-CB 3.65Å; V24-A55 WeakPolarHBondContact CG2-O 3.26Å; V24-L56 HydrophobicContact CG1-CD2 3.61Å; V24-L56 HydrophobicContact CG1-CG 4.24Å; V24-L56 HydrophobicContact CG2-CD2 4.12Å; V24-L56 HydrophobicContact CG2-CG 4.25Å; V24-L59 HydrophobicContact CG2-CB 4.29Å; V24-L59 HydrophobicContact CG2-CD2 4.05Å
25S97.6Very high96.8Very high75 Ų7545.6 Ų45.652%0.52427%0.269SS..Hα-helixtrans-57.1-48.9179.5179.70000112.9V21 A23 L27 E29V21-S25 PolarHBondContact O-N 2.78Å; V21-S25 VanDerWaalsContact O-N 3.1Å; A23-S25 VanDerWaalsContact C-N 3.34Å; A23-S25 PolarHBondContact O-N 2.96Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.02Å; S25-E29 PolarHBondContact O-N 3.26Å; S25-E29 VanDerWaalsContact O-N 3.09Å
26A97.9Very high96.8Very high8 Ų853.5 Ų53.57%0.06630%0.303CS..Hα-helixtrans-66.8-32.117900000113.1L7 E22 A23 V24 A30L7-A26 HydrophobicContact CD2-CB 4.46Å; E22-A26 WeakPolarHBondContact O-CB 3.42Å; E22-A26 PolarHBondContact O-N 3.08Å; A23-A26 PolarHBondContact O-N 3.16Å; V24-A26 PolarHBondContact O-N 2.7Å; A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3.46Å; A26-A30 VanDerWaalsContact O-N 3.1Å
27L98.1Very high96.9Very high0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-80.1-37.4-179.4-72.2161.2000112.2V8 L15 A23 V24 S25 A30 C31 W51 C52 A55V8-L27 HydrophobicContact CB-CD2 4.45Å; V8-L27 HydrophobicContact CG1-CD2 4.44Å; V8-L27 HydrophobicContact CG2-CD2 4.38Å; L15-L27 HydrophobicContact CD1-CD1 4.5Å; A23-L27 HydrophobicContact CB-CD1 4.35Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 WeakPolarHBondContact O-CD1 3.46Å; A23-L27 VanDerWaalsContact O-CG 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.29Å; A23-L27 PolarHBondContact O-N 3.07Å; V24-L27 PolarHBondContact O-N 3.39Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.02Å; L27-A30 PolarHBondContact O-N 2.91Å; L27-C31 WeakPolarHBondContact O-CB 3.16Å; L27-C31 PolarHBondContact O-N 3.3Å; L27-C31 PolarHBondContact O-SG 3.46Å; L27-W51 HydrophobicContact CD1-CB 4.27Å; L27-W51 WeakPolarHBondContact CD1-O 3.38Å; L27-W51 HydrophobicContact CD2-CB 3.78Å; L27-C52 HydrophobicContact CB-CB 3.81Å; L27-A55 HydrophobicContact CD1-CB 3.77Å
28Q97.6Very high96.8Very high80 Ų8053 Ų5337%0.37428%0.282SS..Hα-helixtrans-61.7-44.3170.4-74.3174.2-24.900111.1V24 A30 C31 G32V24-Q28 HydrophobicContact CG1-CG 4.12Å; V24-Q28 WeakPolarHBondContact O-CB 3.38Å; V24-Q28 WeakPolarHBondContact O-CG 3.39Å; V24-Q28 PolarHBondContact O-N 2.81Å; Q28-A30 PolarHBondContact O-N 3.16Å; Q28-C31 PolarHBondContact O-N 3.31Å; Q28-G32 PolarHBondContact O-N 3.05Å
29E97.8Very high96.9Very high114 Ų11451.6 Ų51.653%0.53327%0.267SS..Hα-helixtrans-59.5-47.1174-171.7-178.9-165.900111L7 S25 C31 G32 M33L7-E29 HydrophobicContact CD1-CB 4.1Å; L7-E29 HydrophobicContact CD1-CG 3.7Å; S25-E29 PolarHBondContact O-N 3.26Å; S25-E29 VanDerWaalsContact O-N 3.09Å; E29-C31 PolarHBondContact O-N 2.9Å; E29-G32 PolarHBondContact O-N 3.22Å; E29-M33 WeakPolarHBondContact O-CG 3.28Å; E29-M33 PolarHBondContact O-N 2.89Å
30A97.6Very high96.6Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-59.8-44.9177.200000113.1L7 V8 A26 L27 Q28 M33 L34L7-A30 HydrophobicContact CB-CB 3.79Å; V8-A30 HydrophobicContact CG2-CB 3.72Å; A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3.46Å; A26-A30 VanDerWaalsContact O-N 3.1Å; L27-A30 PolarHBondContact O-N 2.91Å; Q28-A30 PolarHBondContact O-N 3.16Å; A30-M33 PolarHBondContact O-N 3.24Å; A30-L34 WeakPolarHBondContact O-CG 3.44Å; A30-L34 PolarHBondContact O-N 3.09Å
31C97.3Very high96.5Very high5 Ų555.1 Ų55.13%0.03429%0.292CS..Hα-helixtrans-58.9-50.5175-66.70000110.3L27 Q28 E29 M33 L34 A35 A48 F49 M218L27-C31 WeakPolarHBondContact O-CB 3.16Å; L27-C31 PolarHBondContact O-N 3.3Å; L27-C31 PolarHBondContact O-SG 3.46Å; Q28-C31 PolarHBondContact O-N 3.31Å; E29-C31 PolarHBondContact O-N 2.9Å; C31-M33 VanDerWaalsContact C-N 3.3Å; C31-M33 PolarHBondContact O-N 3.4Å; C31-L34 PolarHBondContact O-N 3.06Å; C31-L34 VanDerWaalsContact O-N 3.09Å; C31-A35 VanDerWaalsContact O-CB 3.23Å; C31-A35 WeakPolarHBondContact O-CB 3.44Å; C31-A35 PolarHBondContact O-N 3.33Å; C31-A48 PolarHBondContact SG-O 2.82Å; C31-A48 VanDerWaalsContact SG-O 3.37Å; C31-F49 HydrophobicContact CB-CD1 4.38Å; C31-F49 HydrophobicContact CB-CE1 4.17Å; C31-M218 HydrophobicContact CB-CE 3.82Å; C31-M218 VanDerWaalsContact SG-CE 3.55Å
32G96.5Very high96.4Very high23 Ų2351.6 Ų51.624%0.23727%0.273CS..Hα-helixtrans-59.2-35.9177.900000113.6Q28 E29 K36Q28-G32 PolarHBondContact O-N 3.05Å; E29-G32 PolarHBondContact O-N 3.22Å; G32-K36 VanDerWaalsContact O-CB 3.27Å; G32-K36 WeakPolarHBondContact O-CB 3.24Å; G32-K36 VanDerWaalsContact O-CD 3.23Å; G32-K36 WeakPolarHBondContact O-CD 3.47Å; G32-K36 WeakPolarHBondContact O-CG 3.42Å; G32-K36 PolarHBondContact O-N 3.22Å
33M96.8Very high96.3Very high63 Ų6351.5 Ų51.531%0.3128%0.275SS..Hα-helixtrans-69.9-34.8174.5-71.7-169.19400113.6E3 A4 L7 E29 A30 C31E3-M33 HydrophobicContact CB-CE 4.22Å; E3-M33 HydrophobicContact CG-CE 3.95Å; E3-M33 HydrophobicContact CG-SD 4.2Å; E3-M33 WeakPolarHBondContact OE2-CE 3.49Å; A4-M33 HydrophobicContact CB-CB 3.89Å; A4-M33 HydrophobicContact CB-SD 4.13Å; L7-M33 HydrophobicContact CD1-SD 3.78Å; E29-M33 WeakPolarHBondContact O-CG 3.28Å; E29-M33 PolarHBondContact O-N 2.89Å; A30-M33 PolarHBondContact O-N 3.24Å; C31-M33 VanDerWaalsContact C-N 3.3Å; C31-M33 PolarHBondContact O-N 3.4Å
34L96.1Very high96.1Very high3 Ų355.5 Ų55.52%0.01629%0.294CS..Hα-helixtrans-80-48.1-179.2-68165.7000110.7A4 A30 C31 K36 K37 Y38 C45 A48A4-L34 HydrophobicContact CB-CD1 4.21Å; A4-L34 HydrophobicContact CB-CD2 3.94Å; A4-L34 HydrophobicContact CB-CG 3.78Å; A30-L34 WeakPolarHBondContact O-CG 3.44Å; A30-L34 PolarHBondContact O-N 3.09Å; C31-L34 PolarHBondContact O-N 3.06Å; C31-L34 VanDerWaalsContact O-N 3.09Å; L34-K36 PolarHBondContact O-N 3.35Å; L34-K37 PolarHBondContact O-N 2.9Å; L34-Y38 HydrophobicContact CD2-CD2 4.23Å; L34-Y38 HydrophobicContact CD2-CE2 4Å; L34-Y38 WeakPolarHBondContact O-CD2 3.47Å; L34-Y38 PolarHBondContact O-N 2.6Å; L34-C45 HydrophobicContact CB-CB 4.41Å; L34-A48 HydrophobicContact CD1-CB 3.6Å
35A95.7Very high96Very high14 Ų1455.1 Ų55.112%0.11629%0.291CS..Hα-helixtrans-50-53.217200000112.2C31 K37 Y38 G39 D40C31-A35 VanDerWaalsContact O-CB 3.23Å; C31-A35 WeakPolarHBondContact O-CB 3.44Å; C31-A35 PolarHBondContact O-N 3.33Å; A35-K37 PolarHBondContact O-N 2.88Å; A35-Y38 PolarHBondContact O-N 3.29Å; A35-G39 VanDerWaalsContact O-CA 3.3Å; A35-G39 WeakPolarHBondContact O-CA 3.46Å; A35-G39 PolarHBondContact O-N 3.39Å; A35-D40 VanDerWaalsContact CB-OD1 3.31Å; A35-D40 WeakPolarHBondContact CB-OD1 3.49Å
36K96.6Very high95.9Very high188 Ų18851.5 Ų51.582%0.81727%0.266SS*.Hα-helixtrans-61.8-17.6178.5-72169-168.8169.20114.5G32 L34G32-K36 VanDerWaalsContact O-CB 3.27Å; G32-K36 WeakPolarHBondContact O-CB 3.24Å; G32-K36 VanDerWaalsContact O-CD 3.23Å; G32-K36 WeakPolarHBondContact O-CD 3.47Å; G32-K36 WeakPolarHBondContact O-CG 3.42Å; G32-K36 PolarHBondContact O-N 3.22Å; L34-K36 PolarHBondContact O-N 3.35Å
37K96.3Very high95.9Very high133 Ų13354.8 Ų54.858%0.57828%0.28SS*.Hα-helixtrans-101.3-37.3-179.7-174.9177.6175-155.10113.5L34 A35L34-K37 PolarHBondContact O-N 2.9Å; A35-K37 PolarHBondContact O-N 2.88Å
38Y94.6Very high95.8Very high67 Ų6754.8 Ų54.826%0.26328%0.28SS..Hα-helixtrans-120.6-17.7-169.4-59.2-78.6000113.8M1 L34 A35 A42 E44M1-Y38 WeakPolarHBondContact CE-OH 3.43Å; L34-Y38 HydrophobicContact CD2-CD2 4.23Å; L34-Y38 HydrophobicContact CD2-CE2 4Å; L34-Y38 WeakPolarHBondContact O-CD2 3.47Å; L34-Y38 PolarHBondContact O-N 2.6Å; A35-Y38 PolarHBondContact O-N 3.29Å; Y38-A42 VanDerWaalsContact CB-CB 3.47Å; Y38-E44 HydrophobicContact CD2-CB 4.16Å; Y38-E44 HydrophobicContact CE1-CG 4.37Å; Y38-E44 VanDerWaalsContact CE1-OE1 3.32Å; Y38-E44 WeakPolarHBondContact CE1-OE1 3.3Å; Y38-E44 HydrophobicContact CE2-CB 4.24Å; Y38-E44 HydrophobicContact CE2-CG 4.45Å; Y38-E44 HydrophobicContact CG-CB 4.47Å
39G95Very high95.8Very high27 Ų2751.6 Ų51.628%0.27827%0.265SS..  trans96.5152.9-170.100000112.5A35 T41 A42 C45A35-G39 VanDerWaalsContact O-CA 3.3Å; A35-G39 WeakPolarHBondContact O-CA 3.46Å; A35-G39 PolarHBondContact O-N 3.39Å; G39-T41 PolarHBondContact O-N 2.86Å; G39-T41 VanDerWaalsContact O-N 3.12Å; G39-A42 WeakPolarHBondContact O-CB 3.26Å; G39-A42 PolarHBondContact O-N 2.95Å; G39-C45 PolarHBondContact O-SG 3.27Å
40D91.4Very high95.9Very high101 Ų10146.6 Ų46.654%0.5424%0.241SC..THydrogen-bonded Turntrans-67.5-14.8-170.8-44.4-80.2000113.6A35 F49 V221A35-D40 VanDerWaalsContact CB-OD1 3.31Å; A35-D40 WeakPolarHBondContact CB-OD1 3.49Å; D40-F49 HydrophobicContact CB-CZ 4.48Å; D40-F49 WeakPolarHBondContact O-CE2 3.49Å; D40-V221 WeakPolarHBondContact O-CG1 3.39Å
41T94.1Very high95.9Very high82 Ų8249.4 Ų49.450%0.50325%0.252SS..THydrogen-bonded Turntrans-116.920178.6590000113.1G39 R228G39-T41 PolarHBondContact O-N 2.86Å; G39-T41 VanDerWaalsContact O-N 3.12Å; T41-R228 VanDerWaalsContact O-CZ 3.25Å; T41-R228 PolarHBondContact O-NH1 3.23Å; T41-R228 PolarHBondContact O-NH2 3.48Å
42A94.9Very high96Very high17 Ų1749.1 Ų49.114%0.1425%0.25CS..  trans-76.8151.317400000112.6Y38 G39 E44 C45 I225Y38-A42 VanDerWaalsContact CB-CB 3.47Å; G39-A42 WeakPolarHBondContact O-CB 3.26Å; G39-A42 PolarHBondContact O-N 2.95Å; A42-E44 VanDerWaalsContact C-N 3.29Å; A42-E44 PolarHBondContact O-N 3.19Å; A42-C45 WeakPolarHBondContact O-CB 3.44Å; A42-C45 PolarHBondContact O-N 3.1Å; A42-C45 VanDerWaalsContact O-N 3.08Å; A42-I225 WeakPolarHBondContact O-CD1 3.49Å
43D94.9Very high96Very high72 Ų7248 Ų4839%0.38524%0.239SC..G310 helixtrans-67-29.2-175.4-75.4-15.3000112.9C45 G46 R228 K229D43-C45 PolarHBondContact O-N 3.15Å; D43-G46 PolarHBondContact O-N 3.34Å; D43-R228 IonicContact OD1-CZ 2.87Å; D43-R228 IonicContact OD1-NH2 2.61Å; D43-R228 PolarHBondContact OD1-NH2 2.98Å; D43-K229 WeakPolarHBondContact OD1-CE 3.38Å; D43-K229 VanDerWaalsContact OD2-CE 3.24Å; D43-K229 WeakPolarHBondContact OD2-CE 3.3Å
44E94.3Very high96.1Very high85 Ų8547.3 Ų47.340%0.39723%0.234SC..G310 helixtrans-65.3-17.7173.8-62.797.1142.300113.8M1 Y38 A42M1-E44 HydrophobicContact CE-CG 3.88Å; Y38-E44 HydrophobicContact CD2-CB 4.16Å; Y38-E44 HydrophobicContact CE1-CG 4.37Å; Y38-E44 VanDerWaalsContact CE1-OE1 3.32Å; Y38-E44 WeakPolarHBondContact CE1-OE1 3.3Å; Y38-E44 HydrophobicContact CE2-CB 4.24Å; Y38-E44 HydrophobicContact CE2-CG 4.45Å; Y38-E44 HydrophobicContact CG-CB 4.47Å; A42-E44 VanDerWaalsContact C-N 3.29Å; A42-E44 PolarHBondContact O-N 3.19Å
45C95.2Very high96.2Very high0 Ų047.1 Ų47.10%023%0.233CC..G310 helixtrans-89.9-22.5-176.6-54.30000113L34 G39 A42 D43 E47 A48 F49 I225L34-C45 HydrophobicContact CB-CB 4.41Å; G39-C45 PolarHBondContact O-SG 3.27Å; A42-C45 WeakPolarHBondContact O-CB 3.44Å; A42-C45 PolarHBondContact O-N 3.1Å; A42-C45 VanDerWaalsContact O-N 3.08Å; D43-C45 PolarHBondContact O-N 3.15Å; C45-E47 VanDerWaalsContact C-N 3.31Å; C45-E47 PolarHBondContact O-N 3.18Å; C45-A48 PolarHBondContact O-N 3.36Å; C45-A48 VanDerWaalsContact O-N 3.07Å; C45-F49 HydrophobicContact CB-CD2 3.57Å; C45-F49 HydrophobicContact CB-CE2 3.41Å; C45-F49 VanDerWaalsContact CB-CE2 3.41Å; C45-F49 VanDerWaalsContact O-CD2 3.26Å; C45-F49 WeakPolarHBondContact O-CD2 3.14Å; C45-F49 PolarHBondContact O-N 3.06Å; C45-I225 HydrophobicContact CB-CD1 4.31Å
46G95.7Very high96.3Very high0 Ų046.5 Ų46.50%023%0.228CC..Hα-helixtrans-58.9-36.2-168.700000114.7D43 Y50D43-G46 PolarHBondContact O-N 3.34Å; G46-Y50 WeakPolarHBondContact O-CB 3.44Å; G46-Y50 PolarHBondContact O-N 2.91Å
47E96.4Very high96.3Very high77 Ų7737.5 Ų37.536%0.3619%0.189SC..Hα-helixtrans-66.9-46.8176-177.6176.9-135.800111.3V8 K12 C45 F49 Y50 W51 Y226V8-E47 HydrophobicContact CG1-CG 4.2Å; K12-E47 IonicContact NZ-OE1 3.26Å; K12-E47 PolarHBondContact NZ-OE1 3.2Å; C45-E47 VanDerWaalsContact C-N 3.31Å; C45-E47 PolarHBondContact O-N 3.18Å; E47-F49 VanDerWaalsContact C-N 3.34Å; E47-F49 PolarHBondContact O-N 3.22Å; E47-Y50 PolarHBondContact O-N 3.48Å; E47-W51 PolarHBondContact O-N 2.87Å; E47-W51 VanDerWaalsContact O-N 3.07Å; E47-Y226 VanDerWaalsContact CA-OH 3.31Å; E47-Y226 WeakPolarHBondContact CA-OH 3.29Å; E47-Y226 PolarHBondContact N-OH 2.9Å
48A97.3Very high96.3Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-62.5-44.3-179.800000111V8 C31 L34 C45 W51 C52V8-A48 HydrophobicContact CG2-CB 3.71Å; C31-A48 PolarHBondContact SG-O 2.82Å; C31-A48 VanDerWaalsContact SG-O 3.37Å; L34-A48 HydrophobicContact CD1-CB 3.6Å; C45-A48 PolarHBondContact O-N 3.36Å; C45-A48 VanDerWaalsContact O-N 3.07Å; A48-W51 PolarHBondContact O-N 2.78Å; A48-C52 VanDerWaalsContact O-CB 3.23Å; A48-C52 WeakPolarHBondContact O-CB 3.47Å; A48-C52 PolarHBondContact O-N 2.91Å
49F98.3Very high96.3Very high12 Ų1230.5 Ų30.55%0.05316%0.162CC..Hα-helixtrans-60-48.2176.8-79-57.6000112.6C31 D40 C45 E47 W51 C52 G53 M218 V221 A222 I225C31-F49 HydrophobicContact CB-CD1 4.38Å; C31-F49 HydrophobicContact CB-CE1 4.17Å; D40-F49 HydrophobicContact CB-CZ 4.48Å; D40-F49 WeakPolarHBondContact O-CE2 3.49Å; C45-F49 HydrophobicContact CB-CD2 3.57Å; C45-F49 HydrophobicContact CB-CE2 3.41Å; C45-F49 VanDerWaalsContact CB-CE2 3.41Å; C45-F49 VanDerWaalsContact O-CD2 3.26Å; C45-F49 WeakPolarHBondContact O-CD2 3.14Å; C45-F49 PolarHBondContact O-N 3.06Å; E47-F49 VanDerWaalsContact C-N 3.34Å; E47-F49 PolarHBondContact O-N 3.22Å; F49-W51 PolarHBondContact O-N 2.87Å; F49-C52 PolarHBondContact O-N 2.96Å; F49-G53 PolarHBondContact O-N 3.25Å; F49-M218 HydrophobicContact CD1-CE 3.58Å; F49-M218 HydrophobicContact CD1-SD 3.55Å; F49-M218 VanDerWaalsContact CD1-SD 3.55Å; F49-M218 HydrophobicContact CE1-CE 3.81Å; F49-M218 HydrophobicContact CE1-SD 3.66Å; F49-V221 HydrophobicContact CD1-CG1 4.23Å; F49-V221 HydrophobicContact CD2-CG1 3.56Å; F49-V221 HydrophobicContact CE1-CG1 4.3Å; F49-V221 HydrophobicContact CE2-CG1 3.62Å; F49-V221 HydrophobicContact CG-CB 4.41Å; F49-V221 HydrophobicContact CG-CG1 3.9Å; F49-V221 HydrophobicContact CZ-CG1 4.01Å; F49-A222 HydrophobicContact CB-CB 3.99Å; F49-I225 HydrophobicContact CD2-CD1 3.93Å; F49-I225 HydrophobicContact CE2-CD1 4.41Å
50Y98.4Very high96.3Very high10 Ų1029.7 Ų29.74%0.03915%0.153CC..Hα-helixtrans-59.1-48.5177.3168.9-104.2000112.3G46 E47 G53 K54 L219 M237 Q240 T241 K244G46-Y50 WeakPolarHBondContact O-CB 3.44Å; G46-Y50 PolarHBondContact O-N 2.91Å; E47-Y50 PolarHBondContact O-N 3.48Å; Y50-G53 PolarHBondContact O-N 3.11Å; Y50-K54 PolarHBondContact O-N 3.02Å; Y50-L219 HydrophobicContact CD2-CD2 3.84Å; Y50-L219 HydrophobicContact CE2-CD2 4.37Å; Y50-M237 HydrophobicContact CD1-CE 3.49Å; Y50-M237 VanDerWaalsContact CD1-CE 3.49Å; Y50-M237 HydrophobicContact CD2-CE 4.39Å; Y50-M237 HydrophobicContact CE1-CE 3.7Å; Y50-M237 HydrophobicContact CG-CE 3.85Å; Y50-Q240 HydrophobicContact CE2-CB 4.13Å; Y50-Q240 PolarHBondContact OH-OE1 3.11Å; Y50-Q240 VanDerWaalsContact OH-OE1 3.11Å; Y50-T241 HydrophobicContact CD2-CG2 4.32Å; Y50-T241 WeakPolarHBondContact CD2-OG1 3.43Å; Y50-K244 HydrophobicContact CE2-CG 4.19Å
51W98.3Very high96.4Very high58 Ų5828.3 Ų28.322%0.2214%0.14CC..Hα-helixtrans-69.6-35-178.9-75.799.1000112.4K12 L15 L27 E47 A48 F49 K54 A55K12-W51 HydrophobicContact CD-CD2 4.39Å; K12-W51 VanDerWaalsContact CE-CE2 3.47Å; K12-W51 HydrophobicContact CG-CD2 3.81Å; K12-W51 HydrophobicContact CG-CE3 3.96Å; K12-W51 HydrophobicContact CG-CG 4.13Å; K12-W51 HydrophobicContact CG-CZ3 4.4Å; L15-W51 HydrophobicContact CD1-CE3 3.86Å; L15-W51 HydrophobicContact CD1-CZ3 4.2Å; L27-W51 HydrophobicContact CD1-CB 4.27Å; L27-W51 WeakPolarHBondContact CD1-O 3.38Å; L27-W51 HydrophobicContact CD2-CB 3.78Å; E47-W51 PolarHBondContact O-N 2.87Å; E47-W51 VanDerWaalsContact O-N 3.07Å; A48-W51 PolarHBondContact O-N 2.78Å; F49-W51 PolarHBondContact O-N 2.87Å; W51-K54 HydrophobicContact CE3-CD 4.41Å; W51-K54 HydrophobicContact CZ3-CD 4.22Å; W51-A55 WeakPolarHBondContact O-CB 3.42Å; W51-A55 PolarHBondContact O-N 3.43Å
52C98.3Very high96.3Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-65-46.9173.5-165.40000111.8L27 A48 F49 K54 A55 L56 M218L27-C52 HydrophobicContact CB-CB 3.81Å; A48-C52 VanDerWaalsContact O-CB 3.23Å; A48-C52 WeakPolarHBondContact O-CB 3.47Å; A48-C52 PolarHBondContact O-N 2.91Å; F49-C52 PolarHBondContact O-N 2.96Å; C52-K54 VanDerWaalsContact C-N 3.33Å; C52-K54 PolarHBondContact O-N 2.71Å; C52-A55 WeakPolarHBondContact O-CB 3.49Å; C52-A55 PolarHBondContact O-N 3.45Å; C52-A55 VanDerWaalsContact O-N 3.13Å; C52-L56 WeakPolarHBondContact O-CG 3.42Å; C52-L56 PolarHBondContact O-N 3.35Å; C52-M218 HydrophobicContact CB-CE 3.77Å; C52-M218 VanDerWaalsContact SG-CE 3.52Å
53G98.1Very high96Very high0 Ų032.5 Ų32.50%015%0.152CC..Hα-helixtrans-61.9-39.6177.200000112.5F49 Y50 L56 L57 A215F49-G53 PolarHBondContact O-N 3.25Å; Y50-G53 PolarHBondContact O-N 3.11Å; G53-L56 PolarHBondContact O-N 2.97Å; G53-L57 PolarHBondContact O-N 2.83Å; G53-A215 WeakPolarHBondContact O-CB 3.4Å
54K98.1Very high95.5Very high47 Ų4733.3 Ų33.320%0.20416%0.156CC..Hα-helixtrans-61.7-45.2170.6-163.7-149.5165.6-156.70112L15 Y50 W51 C52 L56 L57 D58L15-K54 HydrophobicContact CD1-CD 4.47Å; Y50-K54 PolarHBondContact O-N 3.02Å; W51-K54 HydrophobicContact CE3-CD 4.41Å; W51-K54 HydrophobicContact CZ3-CD 4.22Å; C52-K54 VanDerWaalsContact C-N 3.33Å; C52-K54 PolarHBondContact O-N 2.71Å; K54-L56 VanDerWaalsContact C-N 3.27Å; K54-L56 PolarHBondContact O-N 3.2Å; K54-L57 PolarHBondContact O-N 2.9Å; K54-D58 WeakPolarHBondContact CE-OD2 3.4Å; K54-D58 IonicContact NZ-OD2 3.73Å; K54-D58 PolarHBondContact NZ-OD2 3.37Å; K54-D58 PolarHBondContact O-N 2.97Å
55A98.1Very high94.8Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-62.1-35179.500000112.7L15 V20 A23 V24 L27 W51 C52 L59L15-A55 HydrophobicContact CD1-CB 4.25Å; L15-A55 HydrophobicContact CD2-CB 3.81Å; L15-A55 HydrophobicContact CG-CB 4.45Å; V20-A55 WeakPolarHBondContact CG1-O 3.42Å; A23-A55 HydrophobicContact CB-CB 4.4Å; V24-A55 HydrophobicContact CG2-CB 3.65Å; V24-A55 WeakPolarHBondContact CG2-O 3.26Å; L27-A55 HydrophobicContact CD1-CB 3.77Å; W51-A55 WeakPolarHBondContact O-CB 3.42Å; W51-A55 PolarHBondContact O-N 3.43Å; C52-A55 WeakPolarHBondContact O-CB 3.49Å; C52-A55 PolarHBondContact O-N 3.45Å; C52-A55 VanDerWaalsContact O-N 3.13Å; A55-L59 WeakPolarHBondContact O-CB 3.18Å; A55-L59 PolarHBondContact O-N 2.89Å
56L97.9Very high93.4Very high0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-72.3-37.5176.3-72.1162000112.6V24 C52 G53 K54 L59 A60 N211 L214 A215 M218V24-L56 HydrophobicContact CG1-CD2 3.61Å; V24-L56 HydrophobicContact CG1-CG 4.24Å; V24-L56 HydrophobicContact CG2-CD2 4.12Å; V24-L56 HydrophobicContact CG2-CG 4.25Å; C52-L56 WeakPolarHBondContact O-CG 3.42Å; C52-L56 PolarHBondContact O-N 3.35Å; G53-L56 PolarHBondContact O-N 2.97Å; K54-L56 VanDerWaalsContact C-N 3.27Å; K54-L56 PolarHBondContact O-N 3.2Å; L56-L59 PolarHBondContact O-N 3.48Å; L56-A60 WeakPolarHBondContact O-CB 3.5Å; L56-A60 PolarHBondContact O-N 2.74Å; L56-N211 HydrophobicContact CD2-CB 4.47Å; L56-N211 WeakPolarHBondContact CD2-OD1 3.47Å; L56-L214 HydrophobicContact CD1-CB 4.08Å; L56-L214 HydrophobicContact CD1-CD2 3.79Å; L56-L214 HydrophobicContact CD1-CG 3.68Å; L56-L214 HydrophobicContact CD2-CD2 4Å; L56-A215 HydrophobicContact CB-CB 3.72Å; L56-M218 HydrophobicContact CD1-CG 4.07Å
57L97.3Very high91.4Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-63.3-45.3169.8170.963.5000111.5G53 K54 L59 A60 R61 L212 A215 K244 E247 V248G53-L57 PolarHBondContact O-N 2.83Å; K54-L57 PolarHBondContact O-N 2.9Å; L57-L59 PolarHBondContact O-N 2.93Å; L57-A60 PolarHBondContact O-N 3.23Å; L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 WeakPolarHBondContact O-CB 3.46Å; L57-R61 WeakPolarHBondContact O-CG 3.47Å; L57-R61 PolarHBondContact O-N 2.94Å; L57-R61 VanDerWaalsContact O-N 3.07Å; L57-L212 HydrophobicContact CD1-CD1 3.92Å; L57-A215 HydrophobicContact CB-CB 4.13Å; L57-K244 HydrophobicContact CD2-CD 4.32Å; L57-E247 HydrophobicContact CD2-CB 3.88Å; L57-V248 HydrophobicContact CB-CG2 4.24Å; L57-V248 HydrophobicContact CD1-CG2 3.91Å; L57-V248 HydrophobicContact CD2-CG2 4.15Å; L57-V248 HydrophobicContact CG-CG2 4.31Å
58D95.7Very high89.5Confident37 Ų3740.3 Ų40.320%0.19822%0.216CC..Hα-helixtrans-63-28.5176.1-67.9-18.2000110.9V20 K54 M62V20-D58 HydrophobicContact CG1-CB 4Å; K54-D58 WeakPolarHBondContact CE-OD2 3.4Å; K54-D58 IonicContact NZ-OD2 3.73Å; K54-D58 PolarHBondContact NZ-OD2 3.37Å; K54-D58 PolarHBondContact O-N 2.97Å; D58-M62 PolarHBondContact O-N 3.09Å
59L95.4Very high87.2Confident16 Ų1645.2 Ų45.28%0.08424%0.242CC..Hα-helixtrans-76.6-48.8175.1-177.757.4000112.3V20 V21 V24 A55 L56 L57 R61 M62 E63V20-L59 HydrophobicContact CG1-CB 3.79Å; V20-L59 HydrophobicContact CG1-CD1 4.44Å; V21-L59 HydrophobicContact CG2-CD1 3.98Å; V24-L59 HydrophobicContact CG2-CB 4.29Å; V24-L59 HydrophobicContact CG2-CD2 4.05Å; A55-L59 WeakPolarHBondContact O-CB 3.18Å; A55-L59 PolarHBondContact O-N 2.89Å; L56-L59 PolarHBondContact O-N 3.48Å; L57-L59 PolarHBondContact O-N 2.93Å; L59-R61 PolarHBondContact O-N 3.08Å; L59-M62 WeakPolarHBondContact O-CA 3.31Å; L59-M62 WeakPolarHBondContact O-CB 3.48Å; L59-M62 PolarHBondContact O-N 3.46Å; L59-E63 HydrophobicContact CD1-CG 4.48Å; L59-E63 WeakPolarHBondContact O-CG 3.48Å; L59-E63 PolarHBondContact O-N 2.96Å
60A94.1Very high84.9Confident10 Ų1047.8 Ų47.88%0.08327%0.265CS..Hα-helixtrans-56.5-38.7176.900000111.7L56 L57 E63 N64 N211 L212L56-A60 WeakPolarHBondContact O-CB 3.5Å; L56-A60 PolarHBondContact O-N 2.74Å; L57-A60 PolarHBondContact O-N 3.23Å; A60-E63 PolarHBondContact O-N 3.07Å; A60-N64 VanDerWaalsContact O-CB 3.28Å; A60-N64 WeakPolarHBondContact O-CB 3.41Å; A60-N64 PolarHBondContact O-N 3.14Å; A60-N211 HydrophobicContact CB-CB 4Å; A60-L212 HydrophobicContact CB-CB 4.01Å; A60-L212 HydrophobicContact CB-CD1 4.37Å
61R93.4Very high82.3Confident71 Ų7153.3 Ų53.327%0.26830%0.295SS..Hα-helixtrans-63.8-39.4172.6-78.1170.8170.2165-2113.5L57 L59 E63 S65 E247 E251L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 WeakPolarHBondContact O-CB 3.46Å; L57-R61 WeakPolarHBondContact O-CG 3.47Å; L57-R61 PolarHBondContact O-N 2.94Å; L57-R61 VanDerWaalsContact O-N 3.07Å; L59-R61 PolarHBondContact O-N 3.08Å; R61-E63 VanDerWaalsContact C-N 3.35Å; R61-S65 VanDerWaalsContact O-CB 3.25Å; R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 3.35Å; R61-E247 IonicContact CZ-OE2 2.69Å; R61-E247 IonicContact NH1-OE2 3.72Å; R61-E247 PolarHBondContact NH1-OE2 2.81Å; R61-E247 IonicContact NH2-OE2 2.68Å; R61-E247 PolarHBondContact NH2-OE2 2.77Å; R61-E251 VanDerWaalsContact CG-OE2 3.24Å; R61-E251 WeakPolarHBondContact CG-OE2 3.2Å; R61-E251 IonicContact CZ-OE2 3.64Å; R61-E251 IonicContact NE-OE2 2.82Å; R61-E251 PolarHBondContact NE-OE2 2.61Å; R61-E251 IonicContact NH2-OE2 3.57Å
62M91.6Very high79.9Confident103 Ų10358.1 Ų58.151%0.50732%0.32SS..Hα-helixtrans-65.4-40.5176.1-175.2174.317600111.1D58 L59 V66D58-M62 PolarHBondContact O-N 3.09Å; L59-M62 WeakPolarHBondContact O-CA 3.31Å; L59-M62 WeakPolarHBondContact O-CB 3.48Å; L59-M62 PolarHBondContact O-N 3.46Å; M62-V66 VanDerWaalsContact O-CG2 3.29Å; M62-V66 WeakPolarHBondContact O-CG2 3.34Å; M62-V66 PolarHBondContact O-N 3Å
63E88.7Confident77.4Confident85 Ų8561.2 Ų61.240%0.39735%0.351SS..Hα-helixtrans-66.9-47.1176.7-67.7164163.100111.4L59 A60 R61 S65 V66 L67 N211L59-E63 HydrophobicContact CD1-CG 4.48Å; L59-E63 WeakPolarHBondContact O-CG 3.48Å; L59-E63 PolarHBondContact O-N 2.96Å; A60-E63 PolarHBondContact O-N 3.07Å; R61-E63 VanDerWaalsContact C-N 3.35Å; E63-S65 PolarHBondContact O-N 3.07Å; E63-V66 PolarHBondContact O-N 2.9Å; E63-L67 PolarHBondContact O-N 2.69Å; E63-L67 VanDerWaalsContact O-N 3.11Å; E63-N211 PolarHBondContact OE1-ND2 2.92Å; E63-N211 PolarHBondContact OE2-ND2 3.37Å
64N84.9Confident74.7Confident88 Ų8865.6 Ų65.647%0.47138%0.378SS..Hα-helixtrans-61.1-42.8176.6-163.119.1000112.1A60 L67 G68 E251A60-N64 VanDerWaalsContact O-CB 3.28Å; A60-N64 WeakPolarHBondContact O-CB 3.41Å; A60-N64 PolarHBondContact O-N 3.14Å; N64-L67 PolarHBondContact O-N 2.96Å; N64-G68 PolarHBondContact O-N 3.35Å; N64-E251 PolarHBondContact ND2-OE1 2.87Å
65S79.8Confident71.8Confident66 Ų6668.2 Ų68.246%0.46240%0.4SS..Hα-helixtrans-66.7-35.7176.2178.30000113.1R61 E63 L67 G68 N69R61-S65 VanDerWaalsContact O-CB 3.25Å; R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 3.35Å; E63-S65 PolarHBondContact O-N 3.07Å; S65-L67 VanDerWaalsContact C-N 3.32Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-N69 PolarHBondContact O-N 2.91Å; S65-N69 PolarHBondContact O-OD1 3.45Å
66V65.3Low69.2Low92 Ų9276.6 Ų76.656%0.55844%0.439SS*.Hα-helixtrans-67-35.1174.9167.40000111.2M62 E63 A70M62-V66 VanDerWaalsContact O-CG2 3.29Å; M62-V66 WeakPolarHBondContact O-CG2 3.34Å; M62-V66 PolarHBondContact O-N 3Å; E63-V66 PolarHBondContact O-N 2.9Å; V66-A70 WeakPolarHBondContact O-CB 3.41Å; V66-A70 PolarHBondContact O-N 3.44Å; V66-A70 VanDerWaalsContact O-N 3.08Å
67L54.5Low66.2Low113 Ų11385.3 Ų85.359%0.59248%0.479SS*.Hα-helixtrans-66.8-43.7172.9-70.7165.2000112E63 N64 S65 A70 L71E63-L67 PolarHBondContact O-N 2.69Å; E63-L67 VanDerWaalsContact O-N 3.11Å; N64-L67 PolarHBondContact O-N 2.96Å; S65-L67 VanDerWaalsContact C-N 3.32Å; L67-A70 WeakPolarHBondContact O-CB 3.41Å; L67-A70 PolarHBondContact O-N 2.92Å; L67-L71 PolarHBondContact O-N 3.45Å; L67-L71 VanDerWaalsContact O-N 3.11Å
68G55.2Low63.5Low38 Ų3893 Ų9339%0.39252%0.515SS..Hα-helixtrans-57.5-51.3174.400000112.7N64 S65 A70 L71 E72N64-G68 PolarHBondContact O-N 3.35Å; S65-G68 PolarHBondContact O-N 2.99Å; G68-A70 PolarHBondContact O-N 3Å; G68-L71 PolarHBondContact O-N 3.15Å; G68-E72 PolarHBondContact O-N 2.94Å
69N50.3Low60.8Low104 Ų104100.4 Ų100.456%0.55655%0.549SS*.Hα-helixtrans-67.4-19178.6-65.429.3000113.2S65S65-N69 PolarHBondContact O-N 2.91Å; S65-N69 PolarHBondContact O-OD1 3.45Å
70A48.8Very low58Low65 Ų65107.3 Ų107.354%0.53758%0.581SS.*Hα-helixtrans-79.8-28.6172.100000112.4V66 L67 G68 G73V66-A70 WeakPolarHBondContact O-CB 3.41Å; V66-A70 PolarHBondContact O-N 3.44Å; V66-A70 VanDerWaalsContact O-N 3.08Å; L67-A70 WeakPolarHBondContact O-CB 3.41Å; L67-A70 PolarHBondContact O-N 2.92Å; G68-A70 PolarHBondContact O-N 3Å; A70-G73 PolarHBondContact O-N 3.44Å
71L43.7Very low55.4Low126 Ų126114.2 Ų114.266%0.6661%0.611SS**Hα-helixtrans-77.1-33.3173.1-68.1169.9000112.1L67 G68 G73 V74L67-L71 PolarHBondContact O-N 3.45Å; L67-L71 VanDerWaalsContact O-N 3.11Å; G68-L71 PolarHBondContact O-N 3.15Å; L71-G73 PolarHBondContact O-N 3.09Å; L71-G73 VanDerWaalsContact O-N 3.07Å; L71-V74 WeakPolarHBondContact O-CB 3.41Å; L71-V74 PolarHBondContact O-N 2.9Å
72E49.8Very low52.7Low160 Ų160119 Ų11975%0.74864%0.636SS**THydrogen-bonded Turntrans-59.9-15.5169.9-164.4180-159.500112.9G68G68-E72 PolarHBondContact O-N 2.94Å
73G45.4Very low50Low64 Ų64120.7 Ų120.766%0.6664%0.641SS**THydrogen-bonded Turntrans-83.7-9.4171.400000115.2A70 L71A70-G73 PolarHBondContact O-N 3.44Å; L71-G73 PolarHBondContact O-N 3.09Å; L71-G73 VanDerWaalsContact O-N 3.07Å
74V39.8Very low47.5Very low93 Ų93122.5 Ų122.556%0.56466%0.66SS**SBendtrans-88.7120.2164.91790000106.6L71 E76L71-V74 WeakPolarHBondContact O-CB 3.41Å; L71-V74 PolarHBondContact O-N 2.9Å; V74-E76 PolarHBondContact O-N 3.49Å; V74-E76 VanDerWaalsContact O-N 3.13Å
75P38.8Very low45.6Very low101 Ų101127.8 Ų127.866%0.65668%0.679SS**  trans-63.7118.2167.627.4-31.7000108.1E77P75-E77 PolarHBondContact O-N 2.99Å; P75-E77 VanDerWaalsContact O-N 3.14Å
76E42.8Very low43.5Very low177 Ų177132.3 Ų132.383%0.82770%0.698SS**  trans-59.5115.9153.9-70.7-168.1116.100106.3V74 E78V74-E76 PolarHBondContact O-N 3.49Å; V74-E76 VanDerWaalsContact O-N 3.13Å; E76-E78 PolarHBondContact O-N 3.15Å
77E35.8Very low42.6Very low182 Ų182133.4 Ų133.485%0.8571%0.71SS**  trans-73.672.1171-68.7-172.4154.600108.2P75 E79P75-E77 PolarHBondContact O-N 2.99Å; P75-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.46Å
78E39.8Very low42.4Very low161 Ų161134.8 Ų134.875%0.75272%0.718SS**  trans-54.4117.7154.7-68-166.2133.400107.1E76 E80E76-E78 PolarHBondContact O-N 3.15Å; E78-E80 PolarHBondContact O-N 3.48Å
79E38.8Very low41.8Very low193 Ų193139.7 Ų139.790%0.90274%0.74SS**  trans-73.559.4178.2-68.7-168.3128.800111.6E77 E81E77-E79 PolarHBondContact O-N 3.46Å; E79-E81 PolarHBondContact O-N 3.07Å
80E36.2Very low41.4Very low162 Ų162143.2 Ų143.276%0.75775%0.753SS**  trans-65.4115.8164.5-77.9-144.6122.200109.8E78 E82E78-E80 PolarHBondContact O-N 3.48Å; E80-E82 PolarHBondContact O-N 3.07Å
81E40.8Very low41.1Very low155 Ų155144.5 Ų144.572%0.72476%0.758SS**  trans-70.459.9178.1-70.2-160134.800114E79 K83E79-E81 PolarHBondContact O-N 3.07Å; E81-K83 PolarHBondContact O-N 2.87Å; E81-K83 IonicContact OE1-NZ 3.84Å; E81-K83 IonicContact OE2-NZ 2.6Å; E81-K83 PolarHBondContact OE2-NZ 2.96Å
82E36.9Very low41.6Very low170 Ų170143.9 Ų143.979%0.79476%0.759SS**  trans-70.279.3167.8-101.7-83.3106.700110.4E80 P84E80-E82 PolarHBondContact O-N 3.07Å; E82-P84 WeakPolarHBondContact O-CD 3.39Å
83K34.9Very low41.6Very low139 Ų139144.4 Ų144.460%0.60476%0.762SS**  trans-57.6117.1-175.9-77.3170.9174.7119.70112.6E81 K85E81-K83 PolarHBondContact O-N 2.87Å; E81-K83 IonicContact OE1-NZ 3.84Å; E81-K83 IonicContact OE2-NZ 2.6Å; E81-K83 PolarHBondContact OE2-NZ 2.96Å; K83-K85 PolarHBondContact O-N 3.23Å
84P35.9Very low42.2Very low123 Ų123149.3 Ų149.380%0.79977%0.773SS**  trans-65.7125.3172.926.7-33.3000110.4E82 D86E82-P84 WeakPolarHBondContact O-CD 3.39Å; P84-D86 PolarHBondContact O-N 3.35Å
85K44.7Very low43.1Very low200 Ų200148.1 Ų148.187%0.8777%0.766SS**  trans-83.975.9-174.6-70.5169.6-177.4138.60112.1K83K83-K85 PolarHBondContact O-N 3.23Å
86D34.7Very low44.8Very low161 Ų161147.2 Ų147.286%0.86176%0.755SS**  trans-129.2100.4165.4-101.7-46.8000113.9P84 N88P84-D86 PolarHBondContact O-N 3.35Å; D86-N88 PolarHBondContact O-N 3.46Å
87S48Very low46.1Very low115 Ų115144.7 Ų144.780%0.80474%0.743SS**  trans-11.9106.4158.2169.10000117.8
88N49.8Very low47.8Very low141 Ų141143 Ų14375%0.75473%0.734SS**  156.976.9117.3-175.474.5000112.9D86D86-N88 PolarHBondContact O-N 3.46Å
89V42.3Very low49.3Very low141 Ų141137.8 Ų137.886%0.85572%0.715SS**  trans-137.5127159.2-175.70000107.4
90E40.9Very low51.1Low178 Ų178133.8 Ų133.883%0.83269%0.691SS**  trans-75.7133.8176-64.7-177.2124.900109.8V92E90-V92 PolarHBondContact O-N 3.42Å
91S42.6Very low52.9Low93 Ų93128.8 Ų128.865%0.6567%0.67SS**  trans-72.5126.7-171.748.10000112.6E93S91-E93 PolarHBondContact O-N 3Å
92V54.3Low54.7Low113 Ų113127.2 Ų127.269%0.68566%0.663SS**  trans-82.439.3-176.2-163.10000111.5E90 N94 V95E90-V92 PolarHBondContact O-N 3.42Å; V92-N94 VanDerWaalsContact C-N 3.29Å; V92-N94 PolarHBondContact O-N 3.47Å; V92-V95 HydrophobicContact CG1-CB 4.16Å; V92-V95 HydrophobicContact CG1-CG2 3.4Å
93E50.7Low56.6Low171 Ų171123.8 Ų123.880%0.79965%0.649SS**THydrogen-bonded Turntrans-86.54.3-178.3-68.1-176.6118.100113.5S91S91-E93 PolarHBondContact O-N 3Å
94N57.5Low58.8Low166 Ų166123.5 Ų123.589%0.88864%0.644SS**THydrogen-bonded Turntrans-134.224.8-173.1-136.54000113.3V92V92-N94 VanDerWaalsContact C-N 3.29Å; V92-N94 PolarHBondContact O-N 3.47Å
95V59.4Low60.8Low69 Ų69121.7 Ų121.742%0.41863%0.63SS.*  trans-87.4128.1170172.10000108.7V92 S99V92-V95 HydrophobicContact CG1-CB 4.16Å; V92-V95 HydrophobicContact CG1-CG2 3.4Å; V95-S99 VanDerWaalsContact CG1-CB 3.5Å
96D73.7Confident62.2Low82 Ų82117.7 Ų117.744%0.43962%0.615SS.*  trans-69.5158.3-177.4105.6-79.4000112.3K98 S99 R100D96-K98 PolarHBondContact O-N 3.21Å; D96-K98 WeakPolarHBondContact OD2-CB 3.38Å; D96-K98 PolarHBondContact OD2-N 3.1Å; D96-S99 PolarHBondContact O-N 3.16Å; D96-S99 VanDerWaalsContact O-N 3.09Å; D96-S99 VanDerWaalsContact OD1-CB 3.24Å; D96-S99 WeakPolarHBondContact OD1-CB 3.43Å; D96-S99 PolarHBondContact OD1-N 3.43Å; D96-S99 PolarHBondContact OD1-OG 2.97Å; D96-R100 PolarHBondContact O-N 3.4Å
97E71.1Confident64.1Low123 Ų123114 Ų11458%0.57560%0.598SS**Hα-helixtrans-54.8-36.9-177.9-175.8131.4-106.100112.9R100 D101E97-R100 IonicContact OE1-CZ 2.71Å; E97-R100 VanDerWaalsContact OE1-CZ 3.22Å; E97-R100 IonicContact OE1-NH1 2.77Å; E97-R100 PolarHBondContact OE1-NH1 3.32Å; E97-R100 IonicContact OE1-NH2 2.72Å; E97-R100 PolarHBondContact OE1-NH2 2.92Å; E97-D101 PolarHBondContact O-N 2.97Å
98K71.8Confident65.2Low148 Ų148116.4 Ų116.464%0.64359%0.59SS**Hα-helixtrans-70.5-46.8175.4-66.2-178.6176.6-179.40112.4D96 R100 D101 E102D96-K98 PolarHBondContact O-N 3.21Å; D96-K98 WeakPolarHBondContact OD2-CB 3.38Å; D96-K98 PolarHBondContact OD2-N 3.1Å; K98-R100 PolarHBondContact O-N 3Å; K98-D101 CarbonylContact O-C 3.56Å; K98-D101 PolarHBondContact O-N 2.93Å; K98-E102 WeakPolarHBondContact O-CB 3.38Å; K98-E102 WeakPolarHBondContact O-CG 3.37Å; K98-E102 PolarHBondContact O-N 3.38Å
99S70.3Confident66.4Low51 Ų51114.7 Ų114.736%0.35758%0.581SS.*Hα-helixtrans-58.2-37.4176.5-60.90000111.6V95 D96 L103V95-S99 VanDerWaalsContact CG1-CB 3.5Å; D96-S99 PolarHBondContact O-N 3.16Å; D96-S99 VanDerWaalsContact O-N 3.09Å; D96-S99 VanDerWaalsContact OD1-CB 3.24Å; D96-S99 WeakPolarHBondContact OD1-CB 3.43Å; D96-S99 PolarHBondContact OD1-N 3.43Å; D96-S99 PolarHBondContact OD1-OG 2.97Å; S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 WeakPolarHBondContact O-CD1 3.43Å; S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.18Å
100R76.1Confident67.7Low108 Ų108111.8 Ų111.841%0.40857%0.572SS.*Hα-helixtrans-64.7-42.7173.1-172.4-163.869.3-150.9-5.9112.4D96 E97 K98 L103 R104D96-R100 PolarHBondContact O-N 3.4Å; E97-R100 IonicContact OE1-CZ 2.71Å; E97-R100 VanDerWaalsContact OE1-CZ 3.22Å; E97-R100 IonicContact OE1-NH1 2.77Å; E97-R100 PolarHBondContact OE1-NH1 3.32Å; E97-R100 IonicContact OE1-NH2 2.72Å; E97-R100 PolarHBondContact OE1-NH2 2.92Å; K98-R100 PolarHBondContact O-N 3Å; R100-L103 PolarHBondContact O-N 3.42Å; R100-R104 WeakPolarHBondContact O-CB 3.4Å; R100-R104 PolarHBondContact O-N 3.49Å
101D74.6Confident69Low58 Ų58110.4 Ų110.431%0.3157%0.567SS.*Hα-helixtrans-77.6-29.9-179.5-69.7-22.9000112.9E97 K98 R104 V105E97-D101 PolarHBondContact O-N 2.97Å; K98-D101 CarbonylContact O-C 3.56Å; K98-D101 PolarHBondContact O-N 2.93Å; D101-R104 WeakPolarHBondContact O-CB 3.38Å; D101-R104 PolarHBondContact O-N 2.94Å; D101-R104 IonicContact OD1-CZ 3.22Å; D101-R104 IonicContact OD1-NH1 2.75Å; D101-R104 PolarHBondContact OD1-NH1 3.19Å; D101-V105 WeakPolarHBondContact O-CG2 3.46Å; D101-V105 PolarHBondContact O-N 2.64Å
102E78.2Confident70.2Confident122 Ų122109.6 Ų109.657%0.5757%0.566SS**Hα-helixtrans-65.5-39.1168.6-74.4179.6-163.300111.7K98 V105 Q106K98-E102 WeakPolarHBondContact O-CB 3.38Å; K98-E102 WeakPolarHBondContact O-CG 3.37Å; K98-E102 PolarHBondContact O-N 3.38Å; E102-V105 PolarHBondContact O-N 3.35Å; E102-Q106 WeakPolarHBondContact O-CG 3.31Å; E102-Q106 PolarHBondContact O-N 3.47Å; E102-Q106 PolarHBondContact O-NE2 3.02Å
103L77.2Confident70.3Confident97 Ų97112.7 Ų112.751%0.50857%0.574SS.*Hα-helixtrans-64.6-41.8170.9-76.6166.2000111.8S99 R100 V105 Q106 V107S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 WeakPolarHBondContact O-CD1 3.43Å; S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.18Å; R100-L103 PolarHBondContact O-N 3.42Å; L103-V105 PolarHBondContact O-N 2.8Å; L103-Q106 PolarHBondContact O-N 3.48Å; L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 3.24Å
104R80.3Confident70.5Confident134 Ų134113.6 Ų113.651%0.50658%0.575SS.*Hα-helixtrans-59.5-44.2175.2176.1-179.3-82.1153.2-15.8111.7R100 D101 V107 Y108R100-R104 WeakPolarHBondContact O-CB 3.4Å; R100-R104 PolarHBondContact O-N 3.49Å; D101-R104 WeakPolarHBondContact O-CB 3.38Å; D101-R104 PolarHBondContact O-N 2.94Å; D101-R104 IonicContact OD1-CZ 3.22Å; D101-R104 IonicContact OD1-NH1 2.75Å; D101-R104 PolarHBondContact OD1-NH1 3.19Å; R104-V107 PolarHBondContact O-N 3.44Å; R104-Y108 HydrophobicContact CG-CD2 4.09Å; R104-Y108 HydrophobicContact CG-CE2 4.05Å; R104-Y108 WeakPolarHBondContact O-CD2 3.5Å; R104-Y108 PolarHBondContact O-N 3.34Å; R104-Y108 VanDerWaalsContact O-N 3.1Å
105V79.7Confident70.3Confident84 Ų84115.5 Ų115.551%0.50958%0.575SS.*Hα-helixtrans-63-44.9175.3171.40000111.3D101 E102 L103 V107 Y108 D109D101-V105 WeakPolarHBondContact O-CG2 3.46Å; D101-V105 PolarHBondContact O-N 2.64Å; E102-V105 PolarHBondContact O-N 3.35Å; L103-V105 PolarHBondContact O-N 2.8Å; V105-V107 VanDerWaalsContact C-N 3.28Å; V105-V107 PolarHBondContact O-N 3.09Å; V105-Y108 PolarHBondContact O-N 3.08Å; V105-Y108 VanDerWaalsContact O-N 3.1Å; V105-D109 PolarHBondContact O-N 3.26Å
106Q72.8Confident69.2Low117 Ų117118.6 Ų118.655%0.54759%0.594SS.*Hα-helixtrans-60.6-35.3177.3-74.1168.760.300113E102 L103 A110E102-Q106 WeakPolarHBondContact O-CG 3.31Å; E102-Q106 PolarHBondContact O-N 3.47Å; E102-Q106 PolarHBondContact O-NE2 3.02Å; L103-Q106 PolarHBondContact O-N 3.48Å; Q106-A110 WeakPolarHBondContact O-CB 3.45Å; Q106-A110 PolarHBondContact O-N 2.99Å
107V75.3Confident67.4Low82 Ų82122.6 Ų122.650%0.49762%0.616SS.*Hα-helixtrans-68.4-41173.5171.60000111.6L103 R104 V105 A110 M111L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 3.24Å; R104-V107 PolarHBondContact O-N 3.44Å; V105-V107 VanDerWaalsContact C-N 3.28Å; V105-V107 PolarHBondContact O-N 3.09Å; V107-A110 PolarHBondContact O-N 2.86Å; V107-M111 HydrophobicContact CG1-CE 4.19Å; V107-M111 HydrophobicContact CG1-SD 4.42Å; V107-M111 WeakPolarHBondContact O-CG 3.46Å; V107-M111 PolarHBondContact O-N 3.45Å
108Y71.8Confident65.4Low166 Ų166124 Ų12465%0.65163%0.627SS**Hα-helixtrans-65.1-44176.2-88.2-69.8000112.7R104 V105 M111 A112R104-Y108 HydrophobicContact CG-CD2 4.09Å; R104-Y108 HydrophobicContact CG-CE2 4.05Å; R104-Y108 WeakPolarHBondContact O-CD2 3.5Å; R104-Y108 PolarHBondContact O-N 3.34Å; R104-Y108 VanDerWaalsContact O-N 3.1Å; V105-Y108 PolarHBondContact O-N 3.08Å; V105-Y108 VanDerWaalsContact O-N 3.1Å; Y108-M111 PolarHBondContact O-N 2.91Å; Y108-A112 PolarHBondContact O-N 3.03Å
109D73.7Confident63.5Low105 Ų105122.4 Ų122.456%0.56163%0.634SS**Hα-helixtrans-63.3-42.4175.3-77.5-18.3000111.3V105 M111 A112 E113V105-D109 PolarHBondContact O-N 3.26Å; D109-M111 VanDerWaalsContact C-N 3.26Å; D109-M111 PolarHBondContact O-N 2.95Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.07Å; D109-A112 VanDerWaalsContact O-N 3.07Å; D109-E113 PolarHBondContact O-N 3.33Å
110A69.8Low61.5Low80 Ų80123.9 Ų123.966%0.66166%0.658SS**Hα-helixtrans-65.4-25.9176.400000113.7Q106 V107Q106-A110 WeakPolarHBondContact O-CB 3.45Å; Q106-A110 PolarHBondContact O-N 2.99Å; V107-A110 PolarHBondContact O-N 2.86Å
111M69.3Low59.3Low149 Ų149128.4 Ų128.473%0.73468%0.681SS**Hα-helixtrans-83.6-21.2171.6-73.6-172.217500113.3V107 Y108 D109V107-M111 HydrophobicContact CG1-CE 4.19Å; V107-M111 HydrophobicContact CG1-SD 4.42Å; V107-M111 WeakPolarHBondContact O-CG 3.46Å; V107-M111 PolarHBondContact O-N 3.45Å; Y108-M111 PolarHBondContact O-N 2.91Å; D109-M111 VanDerWaalsContact C-N 3.26Å; D109-M111 PolarHBondContact O-N 2.95Å
112A67.1Low57.1Low76 Ų76134.8 Ų134.863%0.62871%0.709SS**Hα-helixtrans-76-35.9178.500000112.9Y108 D109 K114Y108-A112 PolarHBondContact O-N 3.03Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.07Å; D109-A112 VanDerWaalsContact O-N 3.07Å; A112-K114 VanDerWaalsContact C-N 3.3Å; A112-K114 PolarHBondContact O-N 3.05Å
113E57Low54.7Low179 Ų179134.7 Ų134.784%0.83672%0.717SS**  trans-79.763.2-177-69.1-148.3138.900114.6D109D109-E113 PolarHBondContact O-N 3.33Å
114K54.7Low52.3Low189 Ų189138.5 Ų138.582%0.82273%0.732SS**  trans-149.862.8160.4-132.4171.6-170.7175.90116.8A112A112-K114 VanDerWaalsContact C-N 3.3Å; A112-K114 PolarHBondContact O-N 3.05Å
115K53.3Low49.8Very low207 Ų207141.1 Ų141.190%0.975%0.75SS**  trans-126.372.1157.2-83.1-167.8175.2178.50112.9
116T34.8Very low47.2Very low133 Ų133141.1 Ų141.182%0.81675%0.754SS**  trans-126.6108.2157.838.30000108.9
117N35.8Very low44.8Very low167 Ų167141.5 Ų141.589%0.89376%0.764SS**  trans-67.8151169.8-71.3-3000109.9
118D30.7Very low42.3Very low152 Ų152142.7 Ų142.781%0.81377%0.772SS**  trans-105.2166.5155.2-174.134.6000110.3
119S30.7Very low40.1Very low114 Ų114144 Ų14480%0.79778%0.784SS**  trans67.1100.717971.50000115.4
120G28.4Very low37.7Very low83 Ų83142.8 Ų142.886%0.85680%0.796SS**  trans174.924.9177.600000115.9Q122G120-Q122 PolarHBondContact O-N 3.45Å
121K30.8Very low35.7Very low203 Ų203143.7 Ų143.788%0.88380%0.797SS**  trans-91.490.3-172.5-170.5-175.8177.6179.10113.1
122Q28.6Very low33.6Very low191 Ų191145 Ų14589%0.89380%0.802SS**  trans-151.4100.6149.5-122.9172.2-1.300111.9G120G120-Q122 PolarHBondContact O-N 3.45Å
123T26.3Very low31.7Very low121 Ų121146 Ų14674%0.74281%0.81SS**  trans-70163.2154.234.30000109.3
124E27.5Very low30.1Very low177 Ų177143.7 Ų143.783%0.82781%0.808SS**  cis-144.4-176.641.8-71.4179.2163.900114.3
125E26.9Very low29.3Very low189 Ų189139.5 Ų139.588%0.88380%0.8SS**  trans69.9151.4174.1-57.1-165.8124.300118.6
126S26.2Very low28.1Very low84 Ų84138 Ų13859%0.58779%0.794SS**  cis-171.4133-35.4178.90000109.7
127T22.2Very low27.7Very low125 Ų125138.8 Ų138.877%0.76779%0.788SS**  trans60.1161.815746.90000117
128T23.5Very low27.2Very low107 Ų107138 Ų13866%0.65678%0.784SS**  cis-164.6147.1-8.713.90000108.5
129E24.8Very low26.9Very low193 Ų193133.7 Ų133.790%0.90278%0.775SS**  trans60154155.1-60.9174166.900116.6
130G24.1Very low26.7Very low79 Ų79136.7 Ų136.781%0.81478%0.777SS**  cis122.4137.525.200000107.9
131S26.8Very low26.7Very low99 Ų99141.1 Ų141.169%0.69278%0.775SS**  cis-150.7-170.90.5-160.60000110.3
132E26Very low26.6Very low177 Ų177140.4 Ų140.483%0.82778%0.775SS**  trans3.2150.5156.8-66.6151.4108.400120.7
133A25.7Very low26.4Very low96 Ų96139.1 Ų139.179%0.79377%0.774SS**  -167.2-174.453.300000115.8
134T23.9Very low26.3Very low132 Ų132135.8 Ų135.881%0.8176%0.764SS**  trans-132.5-167.4173.163.70000108.5
135P38.5Very low26.4Very low101 Ų101136.9 Ų136.966%0.65677%0.769SS**  cis-140.9-180-9.142.4-24.5000116.9
136K27.9Very low26.4Very low176 Ų176135 Ų13577%0.76577%0.765SS**  trans64.5168.1149.1-80.8173.4154.7-138.30119.2
137E27.3Very low26.5Very low149 Ų149137.7 Ų137.770%0.69677%0.768SS**  cis-154.5150.40.6-119.6156.2-160.500106.1
138N25.3Very low26.6Very low150 Ų150136.2 Ų136.280%0.80276%0.763SS**  111.314354.8-175.477.9000114.1
139G24.2Very low27.3Very low61 Ų61135.8 Ų135.863%0.62976%0.762SS**  trans88.8166.8169.500000117.8
140E26.5Very low27.4Very low177 Ų177130.8 Ų130.883%0.82775%0.753SS**  cis-172.1148.7-26.9-125.4160-153.800111.6
141E28Very low27.6Very low176 Ų176135.5 Ų135.582%0.82276%0.755SS**  trans22.8166.6161.1-61.2-173.315500128.1
142E28.3Very low27.7Very low188 Ų188137.1 Ų137.188%0.87975%0.751SS**  trans63.8168.4165-67.4-175.4157.500120.6
143D23.7Very low27.7Very low164 Ų164135.5 Ų135.588%0.87774%0.741SS**  -154.8-160.9-60.7-150.742.6000107.6
144G25.6Very low27.8Very low51 Ų51136.8 Ų136.853%0.52673%0.731SS.*  cis171.1173.74.800000112
145E29.2Very low27.8Very low201 Ų201138.6 Ų138.694%0.93972%0.723SS**  trans62.8162.7167.9-63.3-178.8172.100119.1
146D26.1Very low27.3Very low149 Ų149140.8 Ų140.880%0.79772%0.724SS**  cis-157.3-164.4-42.1-156.820.2000106.5
147E28.4Very low27.1Very low141 Ų141137.6 Ų137.666%0.65972%0.724SS**  cis-153.8-148.78.3-155.9-11494.100109.8
148S24.1Very low27Very low93 Ų93139.6 Ų139.665%0.6573%0.733SS**  trans-134.2-147.6-173.567.20000111.4
149P38Very low27Very low99 Ų99136.7 Ų136.764%0.64373%0.731SS**  cis-135.2-178.8-2334.7-15.3000116.3
150A27.2Very low27.1Very low87 Ų87138.6 Ų138.672%0.71974%0.74SS**  trans67.1163.9142.700000120.1
151E28Very low27Very low179 Ų179134.6 Ų134.684%0.83674%0.738SS**  cis-170.3159.2-18.5-103.7179.7-175.900106.6
152E29.4Very low27Very low133 Ų133133.9 Ų133.962%0.62173%0.734SS**  cis-168.1161.9-26.5-140.1-149.7144.400109.8
153K27.1Very low27Very low143 Ų143132.6 Ų132.662%0.62273%0.728SS**  trans63.9159.6158.6-67-167.4167.467.30119.4
154E26.2Very low27.1Very low123 Ų123131.6 Ų131.658%0.57572%0.723SS**  cis-156.6155.2-13.9-117.6-173.4156.700112.8
155R25.8Very low27.2Very low170 Ų170137 Ų13764%0.64273%0.734SS**  trans61.3120.7141.4-70.9176.9-167.7-92.7-6.4125.1
156E26Very low27Very low147 Ų147133.1 Ų133.169%0.68773%0.73SS**  82.2150.5119.6-68.1169.4-14900123.6
157S24.6Very low27Very low108 Ų108131.6 Ų131.676%0.75573%0.726SS**  trans89.199.8158.766.90000122
158E25.6Very low26.9Very low191 Ų191132.5 Ų132.589%0.89374%0.735SS**  60.2145.6122.2-59.4-164.3140.600125.2
159A25.1Very low27.2Very low90 Ų90137 Ų13774%0.74474%0.743SS**  trans7895141.300000122.6
160A25.4Very low27.9Very low101 Ų101137.3 Ų137.384%0.83575%0.745SS**  64.6161.6108.500000123.1
161A26.1Very low27.9Very low93 Ų93141.9 Ų141.977%0.76975%0.751SS**  trans69.6123.117900000115.4
162E27.3Very low28Very low161 Ų161141.5 Ų141.575%0.75275%0.75SS**  cis89.3124.845.3-75.6-103.7155.400113.8
163Q28.3Very low28Very low161 Ų161139.7 Ų139.775%0.75276%0.758SS**  trans67.1155.3159.3-61.8171.233.900116.6
164D24.9Very low27.9Very low142 Ų142136.6 Ų136.676%0.75977%0.766SS**  cis-142.5178.3-0.6-153.5-1.3000112
165E27.8Very low27.9Very low164 Ų164133.7 Ų133.777%0.76677%0.769SS**  trans-59.8154.4167.8-61.6-168.8116.700113.6
166S26.5Very low28.2Very low121 Ų121133.1 Ų133.185%0.84678%0.779SS**  -151.4124.5129.360.70000111.4
167T25.8Very low28.5Very low116 Ų116132.5 Ų132.571%0.71278%0.78SS**  trans-73.2148.817354.90000112.6
168D25.7Very low28.8Very low161 Ų161133.6 Ų133.686%0.86178%0.778SS**  -156.8163.5129.6-126.4-32.8000115.1
169K31.5Very low29.2Very low186 Ų186133.2 Ų133.281%0.80978%0.776SS**  trans-165.3171.4-174.9-127.4-163.4176-169.30108.5
170P51.2Low29.5Very low106 Ų106136.9 Ų136.969%0.68878%0.783SS**  cis-124.5-164.7-24.742.3-26.6000111.1
171E27Very low29.9Very low183 Ų183139 Ų13986%0.85578%0.781SS**  trans152.9155.6147.4-89.9-179-171.900109
172E30.9Very low30.3Very low171 Ų171144 Ų14480%0.79979%0.788SS**  cis-174.3170.4-37.8-112.5-67.3172.800107.2
173A28.4Very low30.5Very low96 Ų96143.6 Ų143.679%0.79379%0.791SS**  trans66.3153.9177.500000117.8
174G26.4Very low30.7Very low77 Ų77144.4 Ų144.479%0.79480%0.795SS**  cis161155.6-7.500000113.2
175G26Very low31.1Very low62 Ų62146.1 Ų146.164%0.63980%0.798SS**  trans106.1126-175.900000112.1
176D31.3Very low31.3Very low158 Ų158150.1 Ų150.185%0.84581%0.806SS**  cis78.1135.247.7-54.3-21.3000111.5
177D32.4Very low31.6Very low135 Ų135152.7 Ų152.772%0.72281%0.805SS**  cis-158.5-174.44.6-138.5-24.1000112
178D31.5Very low31.9Very low130 Ų130151.6 Ų151.670%0.69581%0.807SS**  trans65.2121.7165-56.4-40.1000117.8
179E34.6Very low32.2Very low183 Ų183152.9 Ų152.986%0.85581%0.808SS**  82.5112.455.6-74.4-164.1-179.800115.4
180D30.2Very low32.3Very low167 Ų167150.8 Ų150.889%0.89381%0.811SS**  -166.1159.5122.3-131.6-26.9000112
181D33.8Very low31.5Very low147 Ų147154.1 Ų154.179%0.78682%0.817SS**  trans-94.8161.9-173.8-103.3-43.7000114.5
182E33.9Very low31.8Very low196 Ų196153.1 Ų153.192%0.91681%0.812SS**  178161.9118.8-95.8-176178.200112.7
183D31.7Very low31.8Very low154 Ų154152.5 Ų152.582%0.82481%0.814SS**  trans-126-162.2-153.4-1665.8000113.4
184E33.1Very low31.9Very low177 Ų177151.6 Ų151.683%0.82781%0.814SS**  trans100.883.8168.1-58.7-157.7165.300118.5
185E34.3Very low32.6Very low179 Ų179158 Ų15884%0.83682%0.823SS**  19.2136.8128-57.1-171156.900120.7
186R30.6Very low32.9Very low247 Ų247158.3 Ų158.393%0.93283%0.826SS**  -162.5117113.9-114.5174.4-175.9-139-4116.2
187E33.4Very low33.2Very low176 Ų176159.2 Ų159.282%0.82283%0.825SS**  trans-77.2149.3157.8-77.7-72166.500111.1
188A31.5Very low33.4Very low92 Ų92158.1 Ų158.176%0.7683%0.825SS**  trans-162.479.917200000113.5
189E32.8Very low33.6Very low188 Ų188156.6 Ų156.688%0.87982%0.821SS**  trans-70.9139.2163.2-64.2-176.9132.500111.3
190V34.3Very low33.8Very low142 Ų142152 Ų15286%0.86181%0.814SS**  trans-142.9133.2161.3-177.30000108.4
191E33.9Very low34.3Very low176 Ų176150.4 Ų150.482%0.82281%0.806SS**  trans-81.9149.4-171.3-67-175.2139.800115.4
192E33.5Very low34.5Very low162 Ų162153 Ų15376%0.75781%0.81SS**  trans29.2117.8136.1-145.4-168.6146.100120.3
193L31Very low34.6Very low159 Ų159149.7 Ų149.783%0.83280%0.799SS**  160.7122.9114.6-85.6170.7000111.5
194G29.9Very low34.9Very low77 Ų77146.5 Ų146.579%0.79479%0.788SS**  trans168.9110.3172.100000112.8
195E40.8Very low35.2Very low211 Ų211146.2 Ų146.299%0.98679%0.787SS**  trans-70.4139.1-178.8-61.2172.9122.400112.1
196G31.7Very low35.6Very low68 Ų68143.7 Ų143.770%0.70178%0.779SS**  trans155.571.4173.700000113.7P198G196-P198 WeakPolarHBondContact O-CD 3.33Å
197E37.8Very low36.5Very low177 Ų177140.3 Ų140.383%0.82777%0.774SS**  trans-73115.5163.6-67.4-178.6121.200109.6
198P37.7Very low37.8Very low112 Ų112141 Ų14173%0.72778%0.777SS**  -70.4117.4123.932.1-25.5000106.6G196 A200G196-P198 WeakPolarHBondContact O-CD 3.33Å; P198-A200 PolarHBondContact O-N 3.27Å
199T34.8Very low39.9Very low99 Ų99140.4 Ų140.461%0.60776%0.764SS**  trans-63.593.5159.1460000106.2D201T199-D201 PolarHBondContact O-N 3.13Å
200A39.5Very low42.7Very low85 Ų85133.5 Ų133.570%0.70274%0.744SS**  trans-61.5112177.600000107.4P198 K202P198-A200 PolarHBondContact O-N 3.27Å; A200-K202 PolarHBondContact O-N 3.38Å
201D41.5Very low45.5Very low134 Ų134128.6 Ų128.672%0.71771%0.712SS**  trans-57.5105-172.7-60.3-71.5000109.4T199 D203T199-D201 PolarHBondContact O-N 3.13Å; D201-D203 PolarHBondContact O-N 3Å; D201-D203 VanDerWaalsContact O-N 3.1Å
202K37.3Very low48.4Very low201 Ų201121.9 Ų121.987%0.87468%0.682SS**  trans-80.369.8153.8-72.3-172.2178.3-177.80106.7A200 S204A200-K202 PolarHBondContact O-N 3.38Å; K202-S204 PolarHBondContact O-N 2.87Å
203D36.1Very low51.4Low128 Ų128118.3 Ų118.368%0.68467%0.665SS**  trans-57.984.8141.4-72.4-39.2000105.8D201 E205D201-D203 PolarHBondContact O-N 3Å; D201-D203 VanDerWaalsContact O-N 3.1Å; D203-E205 HydrophobicContact CB-CG 4.37Å; D203-E205 PolarHBondContact O-N 3.01Å
204S38.4Very low54.5Low86 Ų86112.9 Ų112.960%0.60164%0.637SS**  trans-68.883.5156.2-150.60000104K202 D206K202-S204 PolarHBondContact O-N 2.87Å; S204-D206 VanDerWaalsContact CB-OD2 3.3Å; S204-D206 WeakPolarHBondContact CB-OD2 3.43Å; S204-D206 PolarHBondContact O-N 3.43Å; S204-D206 PolarHBondContact OG-OD2 3.28Å
205E38.4Very low57.7Low171 Ų171109.2 Ų109.280%0.79960%0.599SS**  trans-66.360.8157.5-64.8-177.4141.100107.6D203 E207D203-E205 HydrophobicContact CB-CG 4.37Å; D203-E205 PolarHBondContact O-N 3.01Å; E205-E207 PolarHBondContact O-N 2.76Å
206D43.2Very low60.4Low127 Ų127103.8 Ų103.868%0.67957%0.57SS**  trans-59.190.9148.7-71.9-75.3000104.3S204 E208S204-D206 VanDerWaalsContact CB-OD2 3.3Å; S204-D206 WeakPolarHBondContact CB-OD2 3.43Å; S204-D206 PolarHBondContact O-N 3.43Å; S204-D206 PolarHBondContact OG-OD2 3.28Å; D206-E208 PolarHBondContact O-N 3.29Å
207E48.5Very low63.5Low176 Ų176104.3 Ų104.382%0.82255%0.554SS**  trans-47.6101.2-175.6-66179153.500109.1E205 V209E205-E207 PolarHBondContact O-N 2.76Å; E207-V209 PolarHBondContact O-N 3.48Å
208E61.3Low66.4Low190 Ų19097 Ų9789%0.88852%0.52SS*.  trans-67.5103.1-166.9-173.7168.4-150.800108.3D206 G210D206-E208 PolarHBondContact O-N 3.29Å; E208-G210 PolarHBondContact O-N 3.44Å
209V76.6Confident69.3Low79 Ų7991.7 Ų91.748%0.47949%0.485SS..  trans-6099.1-167.6-179.70000109E207 Q213 L214E207-V209 PolarHBondContact O-N 3.48Å; V209-Q213 HydrophobicContact CG1-CB 3.92Å; V209-Q213 HydrophobicContact CG1-CG 3.56Å; V209-L214 HydrophobicContact CG1-CB 4.41Å
210G90Very high72.2Confident44 Ų4489.2 Ų89.245%0.45447%0.467SS..  trans-53.8144.3-168.200000111.8E208 L212 Q213 L214E208-G210 PolarHBondContact O-N 3.44Å; G210-L212 PolarHBondContact O-N 2.9Å; G210-Q213 WeakPolarHBondContact O-CB 3.22Å; G210-Q213 PolarHBondContact O-N 2.91Å; G210-L214 PolarHBondContact O-N 3.47Å; G210-L214 VanDerWaalsContact O-N 3.13Å
211N94.1Very high75Confident38 Ų3887.1 Ų87.120%0.20345%0.445CS..Hα-helixtrans-50.7-30.7-170.3-73.5-55.8000113.8L56 A60 E63 A215L56-N211 HydrophobicContact CD2-CB 4.47Å; L56-N211 WeakPolarHBondContact CD2-OD1 3.47Å; A60-N211 HydrophobicContact CB-CB 4Å; E63-N211 PolarHBondContact OE1-ND2 2.92Å; E63-N211 PolarHBondContact OE2-ND2 3.37Å; N211-A215 VanDerWaalsContact O-CB 3.24Å; N211-A215 WeakPolarHBondContact O-CB 3.37Å; N211-A215 PolarHBondContact O-N 3.11Å
212L94.3Very high77.7Confident35 Ų3580.7 Ų80.718%0.18341%0.411CS..Hα-helixtrans-70.4-37.7176.4-167.960.8000114.1L57 A60 G210 A215 W216 V248 E251 S252L57-L212 HydrophobicContact CD1-CD1 3.92Å; A60-L212 HydrophobicContact CB-CB 4.01Å; A60-L212 HydrophobicContact CB-CD1 4.37Å; G210-L212 PolarHBondContact O-N 2.9Å; L212-A215 WeakPolarHBondContact O-CB 3.35Å; L212-A215 PolarHBondContact O-N 3.31Å; L212-W216 PolarHBondContact O-N 2.91Å; L212-W216 VanDerWaalsContact O-N 3.08Å; L212-V248 HydrophobicContact CD1-CB 4.21Å; L212-V248 HydrophobicContact CD1-CG1 3.8Å; L212-V248 HydrophobicContact CD1-CG2 4.15Å; L212-V248 HydrophobicContact CG-CG1 4.17Å; L212-E251 HydrophobicContact CD1-CB 3.9Å; L212-E251 HydrophobicContact CD1-CG 4.03Å; L212-E251 HydrophobicContact CD2-CB 3.96Å; L212-E251 HydrophobicContact CD2-CG 3.96Å; L212-S252 WeakPolarHBondContact CD2-OG 3.36Å
213Q95.8Very high80.5Confident88 Ų8872 Ų7241%0.41137%0.373SS..Hα-helixtrans-69.9-44.317317459.824.900110.4V209 G210 A215 W216 E217V209-Q213 HydrophobicContact CG1-CB 3.92Å; V209-Q213 HydrophobicContact CG1-CG 3.56Å; G210-Q213 WeakPolarHBondContact O-CB 3.22Å; G210-Q213 PolarHBondContact O-N 2.91Å; Q213-A215 VanDerWaalsContact C-N 3.27Å; Q213-A215 PolarHBondContact O-N 3.27Å; Q213-W216 WeakPolarHBondContact O-CB 3.46Å; Q213-W216 PolarHBondContact O-N 3.2Å; Q213-W216 VanDerWaalsContact O-N 3.11Å; Q213-E217 PolarHBondContact NE2-OE1 2.9Å; Q213-E217 WeakPolarHBondContact O-CG 3.4Å; Q213-E217 PolarHBondContact O-N 3.36Å
214L96Very high83.4Confident44 Ų4469 Ų6923%0.2336%0.359CS..Hα-helixtrans-65.3-32.5175.9-165.566.6000111.6L56 V209 G210 E217 M218L56-L214 HydrophobicContact CD1-CB 4.08Å; L56-L214 HydrophobicContact CD1-CD2 3.79Å; L56-L214 HydrophobicContact CD1-CG 3.68Å; L56-L214 HydrophobicContact CD2-CD2 4Å; V209-L214 HydrophobicContact CG1-CB 4.41Å; G210-L214 PolarHBondContact O-N 3.47Å; G210-L214 VanDerWaalsContact O-N 3.13Å; L214-E217 PolarHBondContact O-N 3.2Å; L214-M218 HydrophobicContact CG-CG 4.39Å; L214-M218 WeakPolarHBondContact O-CB 3.48Å; L214-M218 WeakPolarHBondContact O-CG 3.42Å; L214-M218 PolarHBondContact O-N 3.07Å; L214-M218 VanDerWaalsContact O-N 3.08Å
215A97.7Very high86.1Confident0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-60.9-46.1170.200000111.7G53 L56 L57 N211 L212 Q213 L219 V248G53-A215 WeakPolarHBondContact O-CB 3.4Å; L56-A215 HydrophobicContact CB-CB 3.72Å; L57-A215 HydrophobicContact CB-CB 4.13Å; N211-A215 VanDerWaalsContact O-CB 3.24Å; N211-A215 WeakPolarHBondContact O-CB 3.37Å; N211-A215 PolarHBondContact O-N 3.11Å; L212-A215 WeakPolarHBondContact O-CB 3.35Å; L212-A215 PolarHBondContact O-N 3.31Å; Q213-A215 VanDerWaalsContact C-N 3.27Å; Q213-A215 PolarHBondContact O-N 3.27Å; A215-L219 WeakPolarHBondContact O-CB 3.27Å; A215-L219 WeakPolarHBondContact O-CD1 3.3Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 3.19Å; A215-V248 HydrophobicContact CB-CG2 4.01Å
216W97.9Very high88.9Confident98 Ų9857.5 Ų57.537%0.37130%0.295SS..Hα-helixtrans-57.5-51.5175.1-175.980.6000111.6L212 Q213 M218 L219 E220 L245 V248L212-W216 PolarHBondContact O-N 2.91Å; L212-W216 VanDerWaalsContact O-N 3.08Å; Q213-W216 WeakPolarHBondContact O-CB 3.46Å; Q213-W216 PolarHBondContact O-N 3.2Å; Q213-W216 VanDerWaalsContact O-N 3.11Å; W216-M218 PolarHBondContact O-N 3.49Å; W216-L219 PolarHBondContact O-N 3.17Å; W216-E220 HydrophobicContact CH2-CG 4.29Å; W216-E220 HydrophobicContact CZ2-CG 4.26Å; W216-E220 WeakPolarHBondContact O-CB 3.24Å; W216-E220 PolarHBondContact O-N 2.83Å; W216-L245 HydrophobicContact CG-CD2 4.24Å; W216-V248 HydrophobicContact CB-CG1 3.95Å
217E97.2Very high91.3Very high78 Ų7859 Ų5936%0.36429%0.291SS..Hα-helixtrans-60.6-45.9-177.1-69.2176.6-171.200112.5Q213 L214 L219 E220 V221Q213-E217 PolarHBondContact NE2-OE1 2.9Å; Q213-E217 WeakPolarHBondContact O-CG 3.4Å; Q213-E217 PolarHBondContact O-N 3.36Å; L214-E217 PolarHBondContact O-N 3.2Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.49Å; E217-E220 PolarHBondContact O-N 3.25Å; E217-V221 WeakPolarHBondContact O-CG2 3.36Å; E217-V221 PolarHBondContact O-N 3.5Å
218M97.8Very high93.5Very high25 Ų2556.6 Ų56.612%0.12328%0.275CS..Hα-helixtrans-67.5-35.4179.7-61.3-68.1-91.200111.6C31 F49 C52 L56 L214 W216 A222C31-M218 HydrophobicContact CB-CE 3.82Å; C31-M218 VanDerWaalsContact SG-CE 3.55Å; F49-M218 HydrophobicContact CD1-CE 3.58Å; F49-M218 HydrophobicContact CD1-SD 3.55Å; F49-M218 VanDerWaalsContact CD1-SD 3.55Å; F49-M218 HydrophobicContact CE1-CE 3.81Å; F49-M218 HydrophobicContact CE1-SD 3.66Å; C52-M218 HydrophobicContact CB-CE 3.77Å; C52-M218 VanDerWaalsContact SG-CE 3.52Å; L56-M218 HydrophobicContact CD1-CG 4.07Å; L214-M218 HydrophobicContact CG-CG 4.39Å; L214-M218 WeakPolarHBondContact O-CB 3.48Å; L214-M218 WeakPolarHBondContact O-CG 3.42Å; L214-M218 PolarHBondContact O-N 3.07Å; L214-M218 VanDerWaalsContact O-N 3.08Å; W216-M218 PolarHBondContact O-N 3.49Å; M218-A222 PolarHBondContact O-N 2.93Å
219L98.4Very high94.9Very high0 Ų049.8 Ų49.80%024%0.242CC..Hα-helixtrans-72.9-34.7173-68.3169.9000112.5Y50 A215 W216 E217 A222 K223 T241 K244 L245 V248Y50-L219 HydrophobicContact CD2-CD2 3.84Å; Y50-L219 HydrophobicContact CE2-CD2 4.37Å; A215-L219 WeakPolarHBondContact O-CB 3.27Å; A215-L219 WeakPolarHBondContact O-CD1 3.3Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 3.19Å; W216-L219 PolarHBondContact O-N 3.17Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.49Å; L219-A222 PolarHBondContact O-N 3.26Å; L219-K223 WeakPolarHBondContact O-CB 3.41Å; L219-K223 PolarHBondContact O-N 3.05Å; L219-T241 HydrophobicContact CB-CG2 4.13Å; L219-T241 HydrophobicContact CD2-CG2 4.09Å; L219-T241 WeakPolarHBondContact O-CG2 3.22Å; L219-K244 HydrophobicContact CD1-CB 3.68Å; L219-K244 HydrophobicContact CD2-CB 3.99Å; L219-L245 HydrophobicContact CB-CD1 4.47Å; L219-L245 HydrophobicContact CB-CD2 3.59Å; L219-L245 HydrophobicContact CB-CG 3.77Å; L219-L245 HydrophobicContact CD1-CD2 4.43Å; L219-L245 HydrophobicContact CD1-CG 4.46Å; L219-V248 HydrophobicContact CD1-CG2 3.92Å
220E97.4Very high95.6Very high47 Ų4754.4 Ų54.422%0.2226%0.259CS..Hα-helixtrans-64.6-44.5177.5-170.660.3-149.700110.8W216 E217 A222 K223 V224W216-E220 HydrophobicContact CH2-CG 4.29Å; W216-E220 HydrophobicContact CZ2-CG 4.26Å; W216-E220 WeakPolarHBondContact O-CB 3.24Å; W216-E220 PolarHBondContact O-N 2.83Å; E217-E220 PolarHBondContact O-N 3.25Å; E220-A222 PolarHBondContact O-N 2.9Å; E220-K223 WeakPolarHBondContact O-CB 3.38Å; E220-K223 PolarHBondContact O-N 3.09Å; E220-K223 WeakPolarHBondContact OE1-CE 3.19Å; E220-K223 IonicContact OE1-NZ 3.37Å; E220-K223 PolarHBondContact OE1-NZ 2.91Å; E220-K223 WeakPolarHBondContact OE2-CE 3.42Å; E220-K223 IonicContact OE2-NZ 3.29Å; E220-K223 PolarHBondContact OE2-NZ 3.48Å; E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 3.46Å
221V97.4Very high95.8Very high40 Ų4059 Ų5924%0.24227%0.269CS..Hα-helixtrans-60.4-44.9173.3173.40000111.1D40 F49 E217 K223 V224 I225D40-V221 WeakPolarHBondContact O-CG1 3.39Å; F49-V221 HydrophobicContact CD1-CG1 4.23Å; F49-V221 HydrophobicContact CD2-CG1 3.56Å; F49-V221 HydrophobicContact CE1-CG1 4.3Å; F49-V221 HydrophobicContact CE2-CG1 3.62Å; F49-V221 HydrophobicContact CG-CB 4.41Å; F49-V221 HydrophobicContact CG-CG1 3.9Å; F49-V221 HydrophobicContact CZ-CG1 4.01Å; E217-V221 WeakPolarHBondContact O-CG2 3.36Å; E217-V221 PolarHBondContact O-N 3.5Å; V221-K223 PolarHBondContact O-N 3.25Å; V221-V224 PolarHBondContact O-N 3.12Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.31Å; V221-I225 PolarHBondContact O-N 3.29Å
222A97.6Very high95.8Very high0 Ų062.2 Ų62.20%028%0.28CS..Hα-helixtrans-61.2-42.1174.900000112.4F49 M218 L219 E220 V224 I225 Y226 T241F49-A222 HydrophobicContact CB-CB 3.99Å; M218-A222 PolarHBondContact O-N 2.93Å; L219-A222 PolarHBondContact O-N 3.26Å; E220-A222 PolarHBondContact O-N 2.9Å; A222-V224 PolarHBondContact O-N 3.28Å; A222-I225 PolarHBondContact O-N 3.29Å; A222-Y226 HydrophobicContact CB-CD2 4.43Å; A222-Y226 HydrophobicContact CB-CE2 4.44Å; A222-Y226 WeakPolarHBondContact O-CD2 3.15Å; A222-Y226 PolarHBondContact O-N 3.19Å; A222-T241 HydrophobicContact CB-CG2 3.98Å
223K96.9Very high95.8Very high18 Ų1866.1 Ų66.18%0.07830%0.301CS..Hα-helixtrans-61.4-45.9176.9179.6-178.668.2-163.70110.7L219 E220 V221 I225 Y226 R227 T241 H242 L245L219-K223 WeakPolarHBondContact O-CB 3.41Å; L219-K223 PolarHBondContact O-N 3.05Å; E220-K223 WeakPolarHBondContact O-CB 3.38Å; E220-K223 PolarHBondContact O-N 3.09Å; E220-K223 WeakPolarHBondContact OE1-CE 3.19Å; E220-K223 IonicContact OE1-NZ 3.37Å; E220-K223 PolarHBondContact OE1-NZ 2.91Å; E220-K223 WeakPolarHBondContact OE2-CE 3.42Å; E220-K223 IonicContact OE2-NZ 3.29Å; E220-K223 PolarHBondContact OE2-NZ 3.48Å; V221-K223 PolarHBondContact O-N 3.25Å; K223-I225 VanDerWaalsContact C-N 3.31Å; K223-I225 PolarHBondContact O-N 3.32Å; K223-Y226 PolarHBondContact O-N 3.39Å; K223-R227 HydrophobicContact CG-CG 4.09Å; K223-R227 WeakPolarHBondContact O-CB 3.14Å; K223-R227 VanDerWaalsContact O-CG 3.3Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.32Å; K223-T241 HydrophobicContact CB-CG2 3.86Å; K223-H242 VanDerWaalsContact CD-CE1 3.46Å; K223-H242 WeakPolarHBondContact CD-CE1 3.39Å; K223-L245 HydrophobicContact CB-CD1 4.04Å; K223-L245 HydrophobicContact CD-CD1 3.61Å; K223-L245 HydrophobicContact CG-CD1 4.36Å
224V96.3Very high95.7Very high64 Ų6463 Ų6339%0.38829%0.288SS..Hα-helixtrans-61.2-39.5176169.40000111.2E220 V221 A222 R228E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 3.46Å; V221-V224 PolarHBondContact O-N 3.12Å; A222-V224 PolarHBondContact O-N 3.28Å; V224-R228 WeakPolarHBondContact O-CD 3.18Å; V224-R228 VanDerWaalsContact O-CG 3.28Å; V224-R228 WeakPolarHBondContact O-CG 3.36Å; V224-R228 PolarHBondContact O-NE 3.46Å
225I96.4Very high95.7Very high0 Ų062 Ų620%028%0.282CS..Hα-helixtrans-63.8-56.7176.2-71162.1000110.9A42 C45 F49 V221 A222 K223 R228A42-I225 WeakPolarHBondContact O-CD1 3.49Å; C45-I225 HydrophobicContact CB-CD1 4.31Å; F49-I225 HydrophobicContact CD2-CD1 3.93Å; F49-I225 HydrophobicContact CE2-CD1 4.41Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.31Å; V221-I225 PolarHBondContact O-N 3.29Å; A222-I225 PolarHBondContact O-N 3.29Å; K223-I225 VanDerWaalsContact C-N 3.31Å; K223-I225 PolarHBondContact O-N 3.32Å; I225-R228 PolarHBondContact O-N 2.93Å; I225-R228 PolarHBondContact O-NE 3.17Å
226Y96.7Very high95.7Very high17 Ų1763.3 Ų63.37%0.06729%0.289CS..Hα-helixtrans-68.1-36.7-174.4-72.1-61.4000113.7E47 A222 K223 R228 K229 D234 M237E47-Y226 VanDerWaalsContact CA-OH 3.31Å; E47-Y226 WeakPolarHBondContact CA-OH 3.29Å; E47-Y226 PolarHBondContact N-OH 2.9Å; A222-Y226 HydrophobicContact CB-CD2 4.43Å; A222-Y226 HydrophobicContact CB-CE2 4.44Å; A222-Y226 WeakPolarHBondContact O-CD2 3.15Å; A222-Y226 PolarHBondContact O-N 3.19Å; K223-Y226 PolarHBondContact O-N 3.39Å; Y226-R228 PolarHBondContact O-N 3.35Å; Y226-K229 PolarHBondContact O-N 2.72Å; Y226-D234 HydrophobicContact CD1-CB 4.12Å; Y226-D234 VanDerWaalsContact CD1-OD1 3.24Å; Y226-D234 WeakPolarHBondContact CD1-OD1 3.42Å; Y226-D234 WeakPolarHBondContact CE1-OD1 3.49Å; Y226-M237 HydrophobicContact CD1-CB 3.6Å; Y226-M237 HydrophobicContact CD1-CG 4.4Å; Y226-M237 HydrophobicContact CD2-CB 3.89Å; Y226-M237 HydrophobicContact CE1-CB 3.58Å; Y226-M237 HydrophobicContact CE1-CG 3.92Å; Y226-M237 HydrophobicContact CE2-CB 3.88Å; Y226-M237 HydrophobicContact CE2-CE 4.02Å; Y226-M237 HydrophobicContact CG-CB 3.77Å
227R93.8Very high95.6Very high157 Ų15760.4 Ų60.459%0.59228%0.28SS*.Hα-helixtrans-65.3-16.6179.8-79.5-176.162.6-161.6-2.8114.8K223 K229 A238K223-R227 HydrophobicContact CG-CG 4.09Å; K223-R227 WeakPolarHBondContact O-CB 3.14Å; K223-R227 VanDerWaalsContact O-CG 3.3Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 3.32Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.88Å; R227-A238 HydrophobicContact CG-CB 4.15Å
228R93.9Very high95.6Very high126 Ų12656.8 Ų56.848%0.47526%0.263SS..THydrogen-bonded Turntrans-76.6-12.6176.9-66.8172.4-46.7-169.910.3113.3T41 D43 V224 I225 Y226T41-R228 VanDerWaalsContact O-CZ 3.25Å; T41-R228 PolarHBondContact O-NH1 3.23Å; T41-R228 PolarHBondContact O-NH2 3.48Å; D43-R228 IonicContact OD1-CZ 2.87Å; D43-R228 IonicContact OD1-NH2 2.61Å; D43-R228 PolarHBondContact OD1-NH2 2.98Å; V224-R228 WeakPolarHBondContact O-CD 3.18Å; V224-R228 VanDerWaalsContact O-CG 3.28Å; V224-R228 WeakPolarHBondContact O-CG 3.36Å; V224-R228 PolarHBondContact O-NE 3.46Å; I225-R228 PolarHBondContact O-N 2.93Å; I225-R228 PolarHBondContact O-NE 3.17Å; Y226-R228 PolarHBondContact O-N 3.35Å
229K91.3Very high95.6Very high48 Ų4855.6 Ų55.621%0.20926%0.257CS..  trans-106.5150.7-172.7-58.9179.1-176.6-178.30111.9D43 Y226 R227 D234 Q235D43-K229 WeakPolarHBondContact OD1-CE 3.38Å; D43-K229 VanDerWaalsContact OD2-CE 3.24Å; D43-K229 WeakPolarHBondContact OD2-CE 3.3Å; Y226-K229 PolarHBondContact O-N 2.72Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.88Å; K229-D234 HydrophobicContact CB-CB 3.83Å; K229-D234 HydrophobicContact CD-CB 3.8Å; K229-D234 VanDerWaalsContact CD-OD1 3.26Å; K229-D234 WeakPolarHBondContact CD-OD1 3.47Å; K229-D234 WeakPolarHBondContact CD-OD2 3.26Å; K229-D234 IonicContact NZ-OD1 3.82Å; K229-D234 PolarHBondContact NZ-OD1 2.96Å; K229-D234 IonicContact NZ-OD2 3.21Å; K229-D234 PolarHBondContact NZ-OD2 2.72Å; K229-Q235 WeakPolarHBondContact O-CG 3.45Å; K229-Q235 PolarHBondContact O-NE2 3.3Å; K229-Q235 VanDerWaalsContact O-NE2 3.09Å
230E90.9Very high95.6Very high176 Ų17658.3 Ų58.382%0.82227%0.27SS*.  trans-104.2-5.8-178.3-62.3-161.7158.300114.5
231E94.3Very high95.6Very high141 Ų14156 Ų5666%0.65926%0.259SS*.SBendtrans-67.2146.9178-58.2-159.5176.300111.8D233 D234 Q235E231-D233 VanDerWaalsContact C-N 3.32Å; E231-D233 PolarHBondContact O-N 3.49Å; E231-D234 PolarHBondContact O-N 3.38Å; E231-Q235 WeakPolarHBondContact O-CG 3.46Å; E231-Q235 PolarHBondContact O-N 3.09Å
232K94Very high95.6Very high104 Ų10454.5 Ų54.545%0.45225%0.249SC..Hα-helixtrans-57.1-45.5-176.5170.5166.5169.61670111.8Q235 L236 H272K232-Q235 PolarHBondContact O-N 3.36Å; K232-L236 HydrophobicContact CG-CD1 4.02Å; K232-L236 HydrophobicContact CG-CG 4.46Å; K232-L236 WeakPolarHBondContact O-CG 3.28Å; K232-L236 PolarHBondContact O-N 2.58Å; K232-H272 HydrophobicContact CD-CB 4.44Å; K232-H272 VanDerWaalsContact CE-O 3.26Å; K232-H272 WeakPolarHBondContact CE-O 3.48Å; K232-H272 HydrophobicContact CG-CB 4.3Å; K232-H272 PolarHBondContact NZ-O 2.69Å
233D94.3Very high95.7Very high117 Ų11754.8 Ų54.863%0.62625%0.251SS*.Hα-helixtrans-72.7-38.4-172.2-62.4-7.5000111.1E231 L236 M237E231-D233 VanDerWaalsContact C-N 3.32Å; E231-D233 PolarHBondContact O-N 3.49Å; D233-L236 PolarHBondContact O-N 2.96Å; D233-M237 WeakPolarHBondContact O-CG 3.21Å; D233-M237 PolarHBondContact O-N 3.47Å
234D94.8Very high95.8Very high24 Ų2455 Ų5513%0.12825%0.252CS..Hα-helixtrans-65.4-37.4170.6-73.4-70.2000112.4Y226 K229 E231 L236 M237 A238Y226-D234 HydrophobicContact CD1-CB 4.12Å; Y226-D234 VanDerWaalsContact CD1-OD1 3.24Å; Y226-D234 WeakPolarHBondContact CD1-OD1 3.42Å; Y226-D234 WeakPolarHBondContact CE1-OD1 3.49Å; K229-D234 HydrophobicContact CB-CB 3.83Å; K229-D234 HydrophobicContact CD-CB 3.8Å; K229-D234 VanDerWaalsContact CD-OD1 3.26Å; K229-D234 WeakPolarHBondContact CD-OD1 3.47Å; K229-D234 WeakPolarHBondContact CD-OD2 3.26Å; K229-D234 IonicContact NZ-OD1 3.82Å; K229-D234 PolarHBondContact NZ-OD1 2.96Å; K229-D234 IonicContact NZ-OD2 3.21Å; K229-D234 PolarHBondContact NZ-OD2 2.72Å; E231-D234 PolarHBondContact O-N 3.38Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.88Å; D234-M237 PolarHBondContact O-N 3.02Å; D234-A238 PolarHBondContact O-N 3.47Å
235Q95.8Very high95.9Very high23 Ų2351.9 Ų51.911%0.10723%0.233CC..Hα-helixtrans-71.5-26.6175.4-70.9-167.9-8.500113.2K229 E231 K232 A239 H272K229-Q235 WeakPolarHBondContact O-CG 3.45Å; K229-Q235 PolarHBondContact O-NE2 3.3Å; K229-Q235 VanDerWaalsContact O-NE2 3.09Å; E231-Q235 WeakPolarHBondContact O-CG 3.46Å; E231-Q235 PolarHBondContact O-N 3.09Å; K232-Q235 PolarHBondContact O-N 3.36Å; Q235-A239 PolarHBondContact O-N 3.47Å; Q235-A239 VanDerWaalsContact O-N 3.12Å; Q235-H272 WeakPolarHBondContact CB-NE2 3.43Å; Q235-H272 PolarHBondContact OE1-NE2 3.36Å
236L96.2Very high96Very high26 Ų2651.9 Ų51.914%0.13623%0.233CC..Hα-helixtrans-73.8-35.6168.1-71.4174.9000112.1K232 D233 D234 A239 Q240 H272 L273K232-L236 HydrophobicContact CG-CD1 4.02Å; K232-L236 HydrophobicContact CG-CG 4.46Å; K232-L236 WeakPolarHBondContact O-CG 3.28Å; K232-L236 PolarHBondContact O-N 2.58Å; D233-L236 PolarHBondContact O-N 2.96Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.88Å; L236-A239 WeakPolarHBondContact O-CB 3.28Å; L236-A239 PolarHBondContact O-N 2.9Å; L236-Q240 PolarHBondContact O-N 2.91Å; L236-H272 HydrophobicContact CD2-CB 3.79Å; L236-H272 HydrophobicContact CG-CB 4.16Å; L236-L273 HydrophobicContact CD1-CD2 3.91Å; L236-L273 HydrophobicContact CD2-CD1 4.2Å; L236-L273 HydrophobicContact CD2-CD2 3.62Å; L236-L273 HydrophobicContact CD2-CG 3.77Å; L236-L273 HydrophobicContact CG-CD2 4.45Å
237M96.8Very high96Very high38 Ų3851.4 Ų51.419%0.18723%0.231CC..Hα-helixtrans-66.1-38170.5-74.4-56.9-51.200112.4Y50 Y226 D233 D234 A239 Q240 T241Y50-M237 HydrophobicContact CD1-CE 3.49Å; Y50-M237 VanDerWaalsContact CD1-CE 3.49Å; Y50-M237 HydrophobicContact CD2-CE 4.39Å; Y50-M237 HydrophobicContact CE1-CE 3.7Å; Y50-M237 HydrophobicContact CG-CE 3.85Å; Y226-M237 HydrophobicContact CD1-CB 3.6Å; Y226-M237 HydrophobicContact CD1-CG 4.4Å; Y226-M237 HydrophobicContact CD2-CB 3.89Å; Y226-M237 HydrophobicContact CE1-CB 3.58Å; Y226-M237 HydrophobicContact CE1-CG 3.92Å; Y226-M237 HydrophobicContact CE2-CB 3.88Å; Y226-M237 HydrophobicContact CE2-CE 4.02Å; Y226-M237 HydrophobicContact CG-CB 3.77Å; D233-M237 WeakPolarHBondContact O-CG 3.21Å; D233-M237 PolarHBondContact O-N 3.47Å; D234-M237 PolarHBondContact O-N 3.02Å; M237-A239 VanDerWaalsContact C-N 3.31Å; M237-A239 PolarHBondContact O-N 2.81Å; M237-Q240 PolarHBondContact O-N 3.33Å; M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 2.99Å; M237-T241 PolarHBondContact O-OG1 2.9Å
238A97.1Very high96.2Very high1 Ų144 Ų441%0.00820%0.204CC..Hα-helixtrans-59.4-42.4170.400000111.3R227 D234 T241 H242 L268R227-A238 HydrophobicContact CG-CB 4.15Å; D234-A238 PolarHBondContact O-N 3.47Å; A238-T241 PolarHBondContact O-N 3.35Å; A238-H242 PolarHBondContact O-CD2 2.86Å; A238-H242 VanDerWaalsContact O-CD2 3.29Å; A238-H242 PolarHBondContact O-N 3.32Å; A238-L268 HydrophobicContact CB-CD1 4.04Å
239A97.6Very high96.4Very high1 Ų138.3 Ų38.31%0.00818%0.183CC..Hα-helixtrans-63-47.5175.400000112.3Q235 L236 M237 T241 H242 L243 C265 L268 Q269Q235-A239 PolarHBondContact O-N 3.47Å; Q235-A239 VanDerWaalsContact O-N 3.12Å; L236-A239 WeakPolarHBondContact O-CB 3.28Å; L236-A239 PolarHBondContact O-N 2.9Å; M237-A239 VanDerWaalsContact C-N 3.31Å; M237-A239 PolarHBondContact O-N 2.81Å; A239-T241 PolarHBondContact O-N 2.91Å; A239-H242 PolarHBondContact O-N 3.35Å; A239-L243 PolarHBondContact O-N 2.85Å; A239-C265 PolarHBondContact O-SG 3.21Å; A239-L268 HydrophobicContact CB-CB 3.71Å; A239-L268 HydrophobicContact CB-CD1 4.18Å; A239-Q269 HydrophobicContact CB-CG 4.05Å
240Q97.8Very high96.7Very high56 Ų5637.2 Ų37.226%0.26218%0.18SC..Hα-helixtrans-60.6-34.5174.8-71.3-173.924.200112.6Y50 L236 M237 L243 K244Y50-Q240 HydrophobicContact CE2-CB 4.13Å; Y50-Q240 PolarHBondContact OH-OE1 3.11Å; Y50-Q240 VanDerWaalsContact OH-OE1 3.11Å; L236-Q240 PolarHBondContact O-N 2.91Å; M237-Q240 PolarHBondContact O-N 3.33Å; Q240-L243 WeakPolarHBondContact O-CB 3.31Å; Q240-L243 PolarHBondContact O-N 3.11Å; Q240-K244 PolarHBondContact O-N 3.05Å; Q240-K244 VanDerWaalsContact O-N 3.12Å
241T98.1Very high96.8Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-69.7-42.8176.7-50.10000111.3Y50 L219 A222 K223 M237 A238 A239 L243 K244 L245Y50-T241 HydrophobicContact CD2-CG2 4.32Å; Y50-T241 WeakPolarHBondContact CD2-OG1 3.43Å; L219-T241 HydrophobicContact CB-CG2 4.13Å; L219-T241 HydrophobicContact CD2-CG2 4.09Å; L219-T241 WeakPolarHBondContact O-CG2 3.22Å; A222-T241 HydrophobicContact CB-CG2 3.98Å; K223-T241 HydrophobicContact CB-CG2 3.86Å; M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 2.99Å; M237-T241 PolarHBondContact O-OG1 2.9Å; A238-T241 PolarHBondContact O-N 3.35Å; A239-T241 PolarHBondContact O-N 2.91Å; T241-L243 VanDerWaalsContact C-N 3.34Å; T241-L243 PolarHBondContact O-N 3.12Å; T241-K244 PolarHBondContact O-N 2.99Å; T241-L245 HydrophobicContact CG2-CD1 4.38Å; T241-L245 WeakPolarHBondContact O-CG 2.92Å; T241-L245 PolarHBondContact O-N 2.72Å
242H98.4Very high96.8Very high7 Ų727.6 Ų27.63%0.03214%0.142CC..Hα-helixtrans-59.2-41170.2-85.7-76.6000112.3K223 A238 A239 K244 L245 G246 D261 C265K223-H242 VanDerWaalsContact CD-CE1 3.46Å; K223-H242 WeakPolarHBondContact CD-CE1 3.39Å; A238-H242 PolarHBondContact O-CD2 2.86Å; A238-H242 VanDerWaalsContact O-CD2 3.29Å; A238-H242 PolarHBondContact O-N 3.32Å; A239-H242 PolarHBondContact O-N 3.35Å; H242-K244 VanDerWaalsContact C-N 3.3Å; H242-K244 PolarHBondContact O-N 3.05Å; H242-L245 PolarHBondContact O-N 3.45Å; H242-G246 PolarHBondContact O-N 3.37Å; H242-D261 IonicContact CE1-OD1 2.58Å; H242-D261 PolarHBondContact CE1-OD1 3.2Å; H242-D261 IonicContact CG-OD1 3.47Å; H242-D261 IonicContact ND1-OD1 2.96Å; H242-D261 PolarHBondContact ND1-OD1 2.87Å; H242-C265 HydrophobicContact CB-CB 3.83Å
243L98.4Very high96.8Very high6 Ų624.2 Ų24.23%0.03114%0.136CC..Hα-helixtrans-57.2-42.6174.4-171.771000111.6A239 Q240 T241 G246 E247 F262 E282 T283 Q286A239-L243 PolarHBondContact O-N 2.85Å; Q240-L243 WeakPolarHBondContact O-CB 3.31Å; Q240-L243 PolarHBondContact O-N 3.11Å; T241-L243 VanDerWaalsContact C-N 3.34Å; T241-L243 PolarHBondContact O-N 3.12Å; L243-G246 PolarHBondContact O-N 2.75Å; L243-E247 PolarHBondContact O-N 2.85Å; L243-F262 HydrophobicContact CD1-CD1 3.92Å; L243-F262 HydrophobicContact CD1-CE1 3.95Å; L243-F262 WeakPolarHBondContact O-CE1 3.41Å; L243-E282 HydrophobicContact CD2-CG 4.33Å; L243-T283 HydrophobicContact CD1-CG2 4.22Å; L243-Q286 HydrophobicContact CD1-CG 4.22Å
244K98.4Very high96.9Very high22 Ų2223.2 Ų23.210%0.09613%0.131CC..Hα-helixtrans-77.5-29.5178.8-62.6-48.4-176.4-1700114.1Y50 L57 L219 Q240 T241 H242 G246 E247 V248Y50-K244 HydrophobicContact CE2-CG 4.19Å; L57-K244 HydrophobicContact CD2-CD 4.32Å; L219-K244 HydrophobicContact CD1-CB 3.68Å; L219-K244 HydrophobicContact CD2-CB 3.99Å; Q240-K244 PolarHBondContact O-N 3.05Å; Q240-K244 VanDerWaalsContact O-N 3.12Å; T241-K244 PolarHBondContact O-N 2.99Å; H242-K244 VanDerWaalsContact C-N 3.3Å; H242-K244 PolarHBondContact O-N 3.05Å; K244-G246 VanDerWaalsContact C-N 3.35Å; K244-E247 IonicContact NZ-OE1 2.9Å; K244-E247 PolarHBondContact NZ-OE1 2.69Å; K244-E247 IonicContact NZ-OE2 2.72Å; K244-E247 PolarHBondContact NZ-OE2 3.22Å; K244-E247 PolarHBondContact O-N 3.45Å; K244-V248 WeakPolarHBondContact O-CG2 3.34Å; K244-V248 PolarHBondContact O-N 3.43Å
245L98.5Very high97Very high0 Ų025.2 Ų25.20%014%0.137CC..Hα-helixtrans-66-37.6168.2-74.9164.8000112W216 L219 K223 T241 H242 V248 S249 D261W216-L245 HydrophobicContact CG-CD2 4.24Å; L219-L245 HydrophobicContact CB-CD1 4.47Å; L219-L245 HydrophobicContact CB-CD2 3.59Å; L219-L245 HydrophobicContact CB-CG 3.77Å; L219-L245 HydrophobicContact CD1-CD2 4.43Å; L219-L245 HydrophobicContact CD1-CG 4.46Å; K223-L245 HydrophobicContact CB-CD1 4.04Å; K223-L245 HydrophobicContact CD-CD1 3.61Å; K223-L245 HydrophobicContact CG-CD1 4.36Å; T241-L245 HydrophobicContact CG2-CD1 4.38Å; T241-L245 WeakPolarHBondContact O-CG 2.92Å; T241-L245 PolarHBondContact O-N 2.72Å; H242-L245 PolarHBondContact O-N 3.45Å; L245-V248 PolarHBondContact O-N 3.21Å; L245-S249 WeakPolarHBondContact O-CB 3.1Å; L245-S249 PolarHBondContact O-N 3.23Å; L245-S249 PolarHBondContact O-OG 2.89Å; L245-D261 HydrophobicContact CB-CB 4.5Å
246G98.2Very high97.1Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-62.6-45.7171.600000111.9H242 L243 K244 S249 V250 A258H242-G246 PolarHBondContact O-N 3.37Å; L243-G246 PolarHBondContact O-N 2.75Å; K244-G246 VanDerWaalsContact C-N 3.35Å; G246-S249 WeakPolarHBondContact O-CB 3.46Å; G246-S249 PolarHBondContact O-N 2.81Å; G246-S249 VanDerWaalsContact O-N 3.17Å; G246-V250 WeakPolarHBondContact O-CG2 3.34Å; G246-V250 PolarHBondContact O-N 3.11Å; G246-A258 WeakPolarHBondContact O-CB 3.29Å
247E98Very high97.1Very high6 Ų631.6 Ų31.63%0.02817%0.169CC..Hα-helixtrans-61.6-42.9174.5-84.6175-131.600113.7L57 R61 L243 K244 S249 V250 E251 F262 Q286L57-E247 HydrophobicContact CD2-CB 3.88Å; R61-E247 IonicContact CZ-OE2 2.69Å; R61-E247 IonicContact NH1-OE2 3.72Å; R61-E247 PolarHBondContact NH1-OE2 2.81Å; R61-E247 IonicContact NH2-OE2 2.68Å; R61-E247 PolarHBondContact NH2-OE2 2.77Å; L243-E247 PolarHBondContact O-N 2.85Å; K244-E247 IonicContact NZ-OE1 2.9Å; K244-E247 PolarHBondContact NZ-OE1 2.69Å; K244-E247 IonicContact NZ-OE2 2.72Å; K244-E247 PolarHBondContact NZ-OE2 3.22Å; K244-E247 PolarHBondContact O-N 3.45Å; E247-S249 VanDerWaalsContact C-N 3.29Å; E247-S249 PolarHBondContact O-N 3.5Å; E247-V250 PolarHBondContact O-N 2.77Å; E247-E251 PolarHBondContact O-N 2.71Å; E247-E251 VanDerWaalsContact O-N 3.09Å; E247-F262 HydrophobicContact CG-CE1 4.44Å; E247-F262 HydrophobicContact CG-CZ 4.36Å; E247-Q286 PolarHBondContact OE1-NE2 3Å
248V97.9Very high97.2Very high2 Ų229.8 Ų29.81%0.01216%0.161CC..Hα-helixtrans-58.1-44.8171.4166.20000110.5L57 L212 A215 W216 L219 K244 L245 V250 E251 S252L57-V248 HydrophobicContact CB-CG2 4.24Å; L57-V248 HydrophobicContact CD1-CG2 3.91Å; L57-V248 HydrophobicContact CD2-CG2 4.15Å; L57-V248 HydrophobicContact CG-CG2 4.31Å; L212-V248 HydrophobicContact CD1-CB 4.21Å; L212-V248 HydrophobicContact CD1-CG1 3.8Å; L212-V248 HydrophobicContact CD1-CG2 4.15Å; L212-V248 HydrophobicContact CG-CG1 4.17Å; A215-V248 HydrophobicContact CB-CG2 4.01Å; W216-V248 HydrophobicContact CB-CG1 3.95Å; L219-V248 HydrophobicContact CD1-CG2 3.92Å; K244-V248 WeakPolarHBondContact O-CG2 3.34Å; K244-V248 PolarHBondContact O-N 3.43Å; L245-V248 PolarHBondContact O-N 3.21Å; V248-V250 VanDerWaalsContact C-N 3.34Å; V248-V250 PolarHBondContact O-N 2.96Å; V248-E251 PolarHBondContact O-N 2.92Å; V248-S252 PolarHBondContact O-N 2.9Å; V248-S252 PolarHBondContact O-OG 3.47Å
249S97.6Very high97.3Very high6 Ų630.2 Ų30.24%0.04216%0.163CC..Hα-helixtrans-66.7-31.8-179.7-59.20000113L245 G246 E247 G253 N254L245-S249 WeakPolarHBondContact O-CB 3.1Å; L245-S249 PolarHBondContact O-N 3.23Å; L245-S249 PolarHBondContact O-OG 2.89Å; G246-S249 WeakPolarHBondContact O-CB 3.46Å; G246-S249 PolarHBondContact O-N 2.81Å; G246-S249 VanDerWaalsContact O-N 3.17Å; E247-S249 VanDerWaalsContact C-N 3.29Å; E247-S249 PolarHBondContact O-N 3.5Å; S249-G253 PolarHBondContact O-N 3.34Å; S249-N254 CarbonylContact O-C 3.59Å; S249-N254 WeakPolarHBondContact O-CA 3.4Å; S249-N254 PolarHBondContact O-N 2.73Å
250V97.1Very high97.3Very high25 Ų2536 Ų3615%0.15219%0.189CC..Hα-helixtrans-66.3-46.9170.6173.40000110.9G246 E247 V248 S252 G253 Y255 A258 F262 A290 L293G246-V250 WeakPolarHBondContact O-CG2 3.34Å; G246-V250 PolarHBondContact O-N 3.11Å; E247-V250 PolarHBondContact O-N 2.77Å; V248-V250 VanDerWaalsContact C-N 3.34Å; V248-V250 PolarHBondContact O-N 2.96Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 3.05Å; V250-G253 PolarHBondContact O-N 3.12Å; V250-Y255 HydrophobicContact CG1-CE1 4.45Å; V250-A258 HydrophobicContact CG2-CB 3.6Å; V250-F262 HydrophobicContact CG2-CE2 3.87Å; V250-F262 HydrophobicContact CG2-CZ 4.16Å; V250-A290 HydrophobicContact CG2-CB 4.07Å; V250-L293 HydrophobicContact CG1-CD1 3.56Å
251E94.6Very high97.3Very high60 Ų6033.6 Ų33.628%0.2818%0.178SC..Hα-helixtrans-62-34.9179-157.983.6-144.600111.5R61 N64 L212 E247 V248 G253R61-E251 VanDerWaalsContact CG-OE2 3.24Å; R61-E251 WeakPolarHBondContact CG-OE2 3.2Å; R61-E251 IonicContact CZ-OE2 3.64Å; R61-E251 IonicContact NE-OE2 2.82Å; R61-E251 PolarHBondContact NE-OE2 2.61Å; R61-E251 IonicContact NH2-OE2 3.57Å; N64-E251 PolarHBondContact ND2-OE1 2.87Å; L212-E251 HydrophobicContact CD1-CB 3.9Å; L212-E251 HydrophobicContact CD1-CG 4.03Å; L212-E251 HydrophobicContact CD2-CB 3.96Å; L212-E251 HydrophobicContact CD2-CG 3.96Å; E247-E251 PolarHBondContact O-N 2.71Å; E247-E251 VanDerWaalsContact O-N 3.09Å; V248-E251 PolarHBondContact O-N 2.92Å; E251-G253 VanDerWaalsContact C-N 3.25Å; E251-G253 PolarHBondContact O-N 3.38Å
252S93.6Very high97.3Very high56 Ų5633.6 Ų33.639%0.39218%0.178SC..THydrogen-bonded Turntrans-75.6-0.7172.3-60.10000115L212 V248 V250 N254L212-S252 WeakPolarHBondContact CD2-OG 3.36Å; V248-S252 PolarHBondContact O-N 2.9Å; V248-S252 PolarHBondContact O-OG 3.47Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 3.05Å; S252-N254 PolarHBondContact O-N 3.27Å
253G94.3Very high97.3Very high32 Ų3238.2 Ų38.233%0.3320%0.2SC..THydrogen-bonded Turntrans72.13.6-173.700000115.3S249 V250 E251 Y255S249-G253 PolarHBondContact O-N 3.34Å; V250-G253 PolarHBondContact O-N 3.12Å; E251-G253 VanDerWaalsContact C-N 3.25Å; E251-G253 PolarHBondContact O-N 3.38Å; G253-Y255 PolarHBondContact O-N 2.78Å
254N96.1Very high97.3Very high96 Ų9641.4 Ų41.451%0.51322%0.215SC..  trans-83.856.3-177-72.8-41.2000111.8S249 S252 N256 Q257 A258S249-N254 CarbonylContact O-C 3.59Å; S249-N254 WeakPolarHBondContact O-CA 3.4Å; S249-N254 PolarHBondContact O-N 2.73Å; S252-N254 PolarHBondContact O-N 3.27Å; N254-N256 VanDerWaalsContact C-N 3.27Å; N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.11Å; N254-Q257 HydrophobicContact CB-CB 4.39Å; N254-Q257 PolarHBondContact O-N 2.92Å; N254-A258 PolarHBondContact O-N 3.39Å; N254-A258 VanDerWaalsContact O-N 3.11Å
255Y97.6Very high97.3Very high67 Ų6740.4 Ų40.426%0.26321%0.21SC..Hα-helixtrans-57.6-32.6-168.5-48.9-48.4000114.7V250 G253 A258 L259 L293 N294V250-Y255 HydrophobicContact CG1-CE1 4.45Å; G253-Y255 PolarHBondContact O-N 2.78Å; Y255-A258 WeakPolarHBondContact O-CB 3Å; Y255-A258 PolarHBondContact O-N 3.02Å; Y255-L259 VanDerWaalsContact O-CG 3.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.45Å; Y255-L259 PolarHBondContact O-N 3.46Å; Y255-L293 HydrophobicContact CD1-CB 4.01Å; Y255-L293 HydrophobicContact CD2-CB 4.4Å; Y255-L293 HydrophobicContact CE1-CB 3.72Å; Y255-L293 HydrophobicContact CE1-CD1 4Å; Y255-L293 HydrophobicContact CE1-CG 4.43Å; Y255-L293 HydrophobicContact CE2-CB 4.13Å; Y255-L293 WeakPolarHBondContact CE2-O 3.45Å; Y255-L293 HydrophobicContact CG-CB 4.36Å; Y255-N294 HydrophobicContact CD2-CB 4.2Å; Y255-N294 HydrophobicContact CG-CB 4.33Å
256N97.1Very high97.2Very high98 Ų9841.9 Ų41.952%0.52422%0.218SC..Hα-helixtrans-66.9-41.9177.9-62.1-53.1000111.9N254 A258 L259 E260 N294N254-N256 VanDerWaalsContact C-N 3.27Å; N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.11Å; N256-A258 VanDerWaalsContact C-N 3.33Å; N256-L259 PolarHBondContact O-N 2.84Å; N256-E260 PolarHBondContact O-N 3.32Å; N256-E260 VanDerWaalsContact O-N 3.16Å; N256-N294 PolarHBondContact OD1-ND2 3.2Å
257Q97.2Very high97.2Very high85 Ų8548 Ų4840%0.39724%0.244SC..Hα-helixtrans-64.1-40.7173.3-175.860.459.800110.9N254 L259 E260 D261N254-Q257 HydrophobicContact CB-CB 4.39Å; N254-Q257 PolarHBondContact O-N 2.92Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.45Å; Q257-E260 PolarHBondContact O-N 3.04Å; Q257-D261 PolarHBondContact NE2-OD2 3.47Å; Q257-D261 PolarHBondContact O-N 3.17Å
258A97.9Very high97.1Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-58.2-44.5175.700000112.3G246 V250 N254 Y255 N256 E260 D261 F262G246-A258 WeakPolarHBondContact O-CB 3.29Å; V250-A258 HydrophobicContact CG2-CB 3.6Å; N254-A258 PolarHBondContact O-N 3.39Å; N254-A258 VanDerWaalsContact O-N 3.11Å; Y255-A258 WeakPolarHBondContact O-CB 3Å; Y255-A258 PolarHBondContact O-N 3.02Å; N256-A258 VanDerWaalsContact C-N 3.33Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.8Å; A258-D261 PolarHBondContact O-N 2.92Å; A258-F262 HydrophobicContact CB-CD2 4.31Å; A258-F262 HydrophobicContact CB-CE2 3.96Å; A258-F262 WeakPolarHBondContact O-CB 3.38Å; A258-F262 WeakPolarHBondContact O-CD2 3.39Å; A258-F262 WeakPolarHBondContact O-CG 3.46Å; A258-F262 PolarHBondContact O-N 3.48Å
259L98.3Very high97.1Very high10 Ų1049 Ų495%0.05225%0.25CS..Hα-helixtrans-64.2-36178-70.4170.9000112.5Y255 N256 Q257 Q263 L287 A290Y255-L259 VanDerWaalsContact O-CG 3.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.45Å; Y255-L259 PolarHBondContact O-N 3.46Å; N256-L259 PolarHBondContact O-N 2.84Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.45Å; L259-Q263 WeakPolarHBondContact O-CB 3.5Å; L259-Q263 WeakPolarHBondContact O-CG 3.49Å; L259-Q263 PolarHBondContact O-N 3.09Å; L259-Q263 VanDerWaalsContact O-N 3.09Å; L259-Q263 PolarHBondContact O-NE2 3.37Å; L259-L287 HydrophobicContact CD2-CD2 3.86Å; L259-A290 HydrophobicContact CD2-CB 3.75Å; L259-A290 HydrophobicContact CG-CB 4.21Å
260E98.3Very high97Very high121 Ų12153.3 Ų53.357%0.56528%0.276SS*.Hα-helixtrans-66.9-48.7173.9-71-176.2-161.400112.1N256 Q257 A258 F262 Q263 E264N256-E260 PolarHBondContact O-N 3.32Å; N256-E260 VanDerWaalsContact O-N 3.16Å; Q257-E260 PolarHBondContact O-N 3.04Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.8Å; E260-F262 PolarHBondContact O-N 2.9Å; E260-Q263 PolarHBondContact O-N 3.32Å; E260-Q263 VanDerWaalsContact O-N 3.15Å; E260-E264 PolarHBondContact O-N 2.8Å
261D98.3Very high97Very high6 Ų658.4 Ų58.43%0.03230%0.296CS..Hα-helixtrans-64.8-39.6178.8-85.9-65.9000112.2H242 L245 Q257 A258 Q263 E264 C265H242-D261 IonicContact CE1-OD1 2.58Å; H242-D261 PolarHBondContact CE1-OD1 3.2Å; H242-D261 IonicContact CG-OD1 3.47Å; H242-D261 IonicContact ND1-OD1 2.96Å; H242-D261 PolarHBondContact ND1-OD1 2.87Å; L245-D261 HydrophobicContact CB-CB 4.5Å; Q257-D261 PolarHBondContact NE2-OD2 3.47Å; Q257-D261 PolarHBondContact O-N 3.17Å; A258-D261 PolarHBondContact O-N 2.92Å; D261-Q263 VanDerWaalsContact C-N 3.32Å; D261-Q263 PolarHBondContact O-N 2.93Å; D261-E264 PolarHBondContact O-N 3.4Å; D261-C265 VanDerWaalsContact O-CB 3.31Å; D261-C265 WeakPolarHBondContact O-CB 3.48Å; D261-C265 PolarHBondContact O-N 3.18Å
262F98.6Very high97Very high0 Ų057.1 Ų57.10%029%0.29CS..Hα-helixtrans-65.8-31.5173-66.1-42.5000113L243 E247 V250 A258 E260 C265 L266 Q286 L287 A290L243-F262 HydrophobicContact CD1-CD1 3.92Å; L243-F262 HydrophobicContact CD1-CE1 3.95Å; L243-F262 WeakPolarHBondContact O-CE1 3.41Å; E247-F262 HydrophobicContact CG-CE1 4.44Å; E247-F262 HydrophobicContact CG-CZ 4.36Å; V250-F262 HydrophobicContact CG2-CE2 3.87Å; V250-F262 HydrophobicContact CG2-CZ 4.16Å; A258-F262 HydrophobicContact CB-CD2 4.31Å; A258-F262 HydrophobicContact CB-CE2 3.96Å; A258-F262 WeakPolarHBondContact O-CB 3.38Å; A258-F262 WeakPolarHBondContact O-CD2 3.39Å; A258-F262 WeakPolarHBondContact O-CG 3.46Å; A258-F262 PolarHBondContact O-N 3.48Å; E260-F262 PolarHBondContact O-N 2.9Å; F262-C265 WeakPolarHBondContact O-CB 3.39Å; F262-L266 WeakPolarHBondContact O-CB 3.4Å; F262-L266 PolarHBondContact O-N 2.97Å; F262-Q286 HydrophobicContact CD1-CB 4.15Å; F262-Q286 HydrophobicContact CD2-CB 4.38Å; F262-Q286 HydrophobicContact CE1-CB 3.72Å; F262-Q286 HydrophobicContact CE1-CG 4.24Å; F262-Q286 HydrophobicContact CE2-CB 4Å; F262-Q286 HydrophobicContact CG-CB 4.48Å; F262-Q286 HydrophobicContact CZ-CB 3.66Å; F262-Q286 HydrophobicContact CZ-CG 4.35Å; F262-L287 HydrophobicContact CB-CD2 3.48Å; F262-L287 VanDerWaalsContact CB-CD2 3.48Å; F262-L287 HydrophobicContact CB-CG 3.75Å; F262-L287 HydrophobicContact CD2-CD2 4.37Å; F262-L287 HydrophobicContact CG-CD2 4.38Å; F262-A290 HydrophobicContact CD2-CB 4.24Å; F262-A290 HydrophobicContact CE2-CB 3.97Å
263Q98.2Very high97.1Very high105 Ų10556 Ų5649%0.49128%0.28SS..Hα-helixtrans-71.2-43174.9-77.9171.249.300112.4L259 E260 D261 C265 L266 K267 L287L259-Q263 WeakPolarHBondContact O-CB 3.5Å; L259-Q263 WeakPolarHBondContact O-CG 3.49Å; L259-Q263 PolarHBondContact O-N 3.09Å; L259-Q263 VanDerWaalsContact O-N 3.09Å; L259-Q263 PolarHBondContact O-NE2 3.37Å; E260-Q263 PolarHBondContact O-N 3.32Å; E260-Q263 VanDerWaalsContact O-N 3.15Å; D261-Q263 VanDerWaalsContact C-N 3.32Å; D261-Q263 PolarHBondContact O-N 2.93Å; Q263-C265 VanDerWaalsContact C-N 3.34Å; Q263-L266 PolarHBondContact O-N 3.26Å; Q263-K267 VanDerWaalsContact O-CB 3.22Å; Q263-K267 WeakPolarHBondContact O-CB 3.24Å; Q263-K267 PolarHBondContact O-N 2.93Å; Q263-L287 HydrophobicContact CG-CD2 4.26Å
264E97.9Very high97.2Very high73 Ų7359.9 Ų59.934%0.34129%0.293SS..Hα-helixtrans-66.3-35.4173.4-72.8-63.8126.900112E260 D261 K267 L268E260-E264 PolarHBondContact O-N 2.8Å; D261-E264 PolarHBondContact O-N 3.4Å; E264-K267 VanDerWaalsContact OE1-CD 3.3Å; E264-K267 WeakPolarHBondContact OE1-CD 3.26Å; E264-K267 IonicContact OE1-NZ 2.61Å; E264-K267 PolarHBondContact OE1-NZ 3.19Å; E264-K267 WeakPolarHBondContact OE2-CD 3.5Å; E264-K267 IonicContact OE2-NZ 2.7Å; E264-K267 PolarHBondContact OE2-NZ 3.32Å; E264-L268 WeakPolarHBondContact O-CG 3.45Å; E264-L268 PolarHBondContact O-N 2.95Å; E264-L268 VanDerWaalsContact O-N 3.07Å
265C98.1Very high97.1Very high0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-56.8-55.6168.9177.60000111.7A239 H242 D261 F262 Q263 K267 L268 Q269 T283A239-C265 PolarHBondContact O-SG 3.21Å; H242-C265 HydrophobicContact CB-CB 3.83Å; D261-C265 VanDerWaalsContact O-CB 3.31Å; D261-C265 WeakPolarHBondContact O-CB 3.48Å; D261-C265 PolarHBondContact O-N 3.18Å; F262-C265 WeakPolarHBondContact O-CB 3.39Å; Q263-C265 VanDerWaalsContact C-N 3.34Å; C265-K267 VanDerWaalsContact C-N 3.3Å; C265-K267 PolarHBondContact O-N 3.09Å; C265-L268 PolarHBondContact O-N 3.07Å; C265-L268 VanDerWaalsContact O-N 3.14Å; C265-Q269 WeakPolarHBondContact O-CG 3.49Å; C265-Q269 PolarHBondContact O-N 3.06Å; C265-Q269 PolarHBondContact SG-NE2 3.42Å; C265-T283 HydrophobicContact CB-CG2 4.19Å
266L97.6Very high96.9Very high32 Ų3257.1 Ų57.117%0.16829%0.288CS..Hα-helixtrans-58.9-41.9-178.8-176.466.5000111.8F262 Q263 L268 Q269 V270 L280 T283 L287F262-L266 WeakPolarHBondContact O-CB 3.4Å; F262-L266 PolarHBondContact O-N 2.97Å; Q263-L266 PolarHBondContact O-N 3.26Å; L266-L268 PolarHBondContact O-N 2.69Å; L266-Q269 PolarHBondContact O-N 2.93Å; L266-V270 HydrophobicContact CD1-CG2 4.19Å; L266-V270 HydrophobicContact CG-CG2 4.32Å; L266-V270 WeakPolarHBondContact O-CB 3.31Å; L266-V270 VanDerWaalsContact O-CG2 3.31Å; L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 2.93Å; L266-L280 HydrophobicContact CD1-CD2 3.75Å; L266-T283 HydrophobicContact CB-CG2 3.98Å; L266-T283 HydrophobicContact CD1-CG2 4.42Å; L266-L287 HydrophobicContact CD2-CD1 4.03Å
267K97.4Very high96.9Very high127 Ų12753.7 Ų53.755%0.55227%0.272SS*.Hα-helixtrans-60.1-39.8176.1175.9-168.6178.8-167.90112.9Q263 E264 C265Q263-K267 VanDerWaalsContact O-CB 3.22Å; Q263-K267 WeakPolarHBondContact O-CB 3.24Å; Q263-K267 PolarHBondContact O-N 2.93Å; E264-K267 VanDerWaalsContact OE1-CD 3.3Å; E264-K267 WeakPolarHBondContact OE1-CD 3.26Å; E264-K267 IonicContact OE1-NZ 2.61Å; E264-K267 PolarHBondContact OE1-NZ 3.19Å; E264-K267 WeakPolarHBondContact OE2-CD 3.5Å; E264-K267 IonicContact OE2-NZ 2.7Å; E264-K267 PolarHBondContact OE2-NZ 3.32Å; C265-K267 VanDerWaalsContact C-N 3.3Å; C265-K267 PolarHBondContact O-N 3.09Å
268L96.4Very high96.7Very high30 Ų3054.5 Ų54.516%0.15727%0.271CS..Hα-helixtrans-72.9-37.2173.7-72.2171000112.3A238 A239 E264 C265 L266 K271 H272A238-L268 HydrophobicContact CB-CD1 4.04Å; A239-L268 HydrophobicContact CB-CB 3.71Å; A239-L268 HydrophobicContact CB-CD1 4.18Å; E264-L268 WeakPolarHBondContact O-CG 3.45Å; E264-L268 PolarHBondContact O-N 2.95Å; E264-L268 VanDerWaalsContact O-N 3.07Å; C265-L268 PolarHBondContact O-N 3.07Å; C265-L268 VanDerWaalsContact O-N 3.14Å; L266-L268 PolarHBondContact O-N 2.69Å; L268-K271 WeakPolarHBondContact O-CB 3.16Å; L268-H272 PolarHBondContact O-CD2 2.61Å
269Q96.9Very high96.6Very high1 Ų156.9 Ų56.91%0.00528%0.283CS..Hα-helixtrans-66.1-49.7176.9-72.9-17810.600112.3A239 C265 L266 K271 H272 L273 L279 L280 T283A239-Q269 HydrophobicContact CB-CG 4.05Å; C265-Q269 WeakPolarHBondContact O-CG 3.49Å; C265-Q269 PolarHBondContact O-N 3.06Å; C265-Q269 PolarHBondContact SG-NE2 3.42Å; L266-Q269 PolarHBondContact O-N 2.93Å; Q269-K271 PolarHBondContact O-N 2.6Å; Q269-K271 VanDerWaalsContact O-N 3.14Å; Q269-H272 PolarHBondContact O-N 2.68Å; Q269-L273 HydrophobicContact CB-CD1 3.88Å; Q269-L273 HydrophobicContact CB-CG 4.45Å; Q269-L273 HydrophobicContact CG-CD1 3.89Å; Q269-L273 WeakPolarHBondContact O-CB 3.24Å; Q269-L273 PolarHBondContact O-N 3.26Å; Q269-L279 PolarHBondContact OE1-O 3.3Å; Q269-L280 HydrophobicContact CB-CD2 3.59Å; Q269-L280 HydrophobicContact CB-CG 4.49Å; Q269-T283 PolarHBondContact NE2-OG1 3.43Å; Q269-T283 PolarHBondContact OE1-OG1 2.78Å; Q269-T283 VanDerWaalsContact OE1-OG1 3.07Å
270V96.3Very high96.6Very high96 Ų9656.8 Ų56.858%0.58228%0.283SS*.Hα-helixtrans-61.1-24179.7171.30000112.5L266 L280L266-V270 HydrophobicContact CD1-CG2 4.19Å; L266-V270 HydrophobicContact CG-CG2 4.32Å; L266-V270 WeakPolarHBondContact O-CB 3.31Å; L266-V270 VanDerWaalsContact O-CG2 3.31Å; L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 2.93Å; V270-L280 HydrophobicContact CG2-CD2 3.62Å
271K96.3Very high96.5Very high132 Ų13251.2 Ų51.257%0.57426%0.258SS*.Hα-helixtrans-70.1-28.9173.3-176.8-175.4173.1-170.10113.3L268 Q269L268-K271 WeakPolarHBondContact O-CB 3.16Å; Q269-K271 PolarHBondContact O-N 2.6Å; Q269-K271 VanDerWaalsContact O-N 3.14Å
272H95.1Very high96.4Very high32 Ų3254.2 Ų54.215%0.14827%0.271CS..Hα-helixtrans-128.7-19.2-161.6-75.5-59000115.5K232 Q235 L236 L268 Q269K232-H272 HydrophobicContact CD-CB 4.44Å; K232-H272 VanDerWaalsContact CE-O 3.26Å; K232-H272 WeakPolarHBondContact CE-O 3.48Å; K232-H272 HydrophobicContact CG-CB 4.3Å; K232-H272 PolarHBondContact NZ-O 2.69Å; Q235-H272 WeakPolarHBondContact CB-NE2 3.43Å; Q235-H272 PolarHBondContact OE1-NE2 3.36Å; L236-H272 HydrophobicContact CD2-CB 3.79Å; L236-H272 HydrophobicContact CG-CB 4.16Å; L268-H272 PolarHBondContact O-CD2 2.61Å; Q269-H272 PolarHBondContact O-N 2.68Å
273L95.4Very high96.4Very high34 Ų3454.2 Ų54.218%0.17827%0.271CS..SBendtrans-108.4154.7-176.3-57.8-177.9000111.9L236 Q269 L279L236-L273 HydrophobicContact CD1-CD2 3.91Å; L236-L273 HydrophobicContact CD2-CD1 4.2Å; L236-L273 HydrophobicContact CD2-CD2 3.62Å; L236-L273 HydrophobicContact CD2-CG 3.77Å; L236-L273 HydrophobicContact CG-CD2 4.45Å; Q269-L273 HydrophobicContact CB-CD1 3.88Å; Q269-L273 HydrophobicContact CB-CG 4.45Å; Q269-L273 HydrophobicContact CG-CD1 3.89Å; Q269-L273 WeakPolarHBondContact O-CB 3.24Å; Q269-L273 PolarHBondContact O-N 3.26Å; L273-L279 HydrophobicContact CD1-CB 3.81Å; L273-L279 HydrophobicContact CD1-CD1 3.78Å; L273-L279 HydrophobicContact CD1-CG 4.37Å
274D95.4Very high96.4Very high113 Ų11350.9 Ų50.960%0.60426%0.256SS*.  trans-67.8147.9171.8-65.6-77.5000111.6D276 S277 L280D274-D276 WeakPolarHBondContact CB-OD1 3.32Å; D274-D276 PolarHBondContact O-N 3.08Å; D274-S277 VanDerWaalsContact O-CB 3.27Å; D274-S277 WeakPolarHBondContact O-CB 3.48Å; D274-S277 PolarHBondContact O-N 3.35Å; D274-L280 VanDerWaalsContact O-CD1 3.31Å; D274-L280 WeakPolarHBondContact O-CD1 3.08Å
275P95.1Very high96.5Very high98 Ų9850.3 Ų50.364%0.63625%0.251SS*.THydrogen-bonded Turntrans-62.6-9.2-175.8-25.835.6000116.9
276D93.8Very high96.5Very high7 Ų752 Ų524%0.03726%0.258CS..THydrogen-bonded Turntrans-99.66173.264.1-65.9000113.4D274 R278 N313 R314 K317D274-D276 WeakPolarHBondContact CB-OD1 3.32Å; D274-D276 PolarHBondContact O-N 3.08Å; D276-R278 PolarHBondContact O-N 3.48Å; D276-N313 HydrophobicContact CB-CB 4.36Å; D276-R314 HydrophobicContact CB-CB 4.12Å; D276-R314 WeakPolarHBondContact O-CB 3.44Å; D276-R314 WeakPolarHBondContact O-CD 3.38Å; D276-R314 WeakPolarHBondContact OD2-CD 3.49Å; D276-R314 IonicContact OD2-CZ 3.88Å; D276-R314 IonicContact OD2-NE 2.69Å; D276-R314 IonicContact OD2-NH1 2.97Å; D276-R314 PolarHBondContact OD2-NH1 2.81Å; D276-K317 HydrophobicContact CB-CD 3.91Å; D276-K317 VanDerWaalsContact CG-NZ 3.33Å; D276-K317 IonicContact OD1-NZ 2.65Å; D276-K317 PolarHBondContact OD1-NZ 2.79Å; D276-K317 VanDerWaalsContact OD2-CD 3.28Å; D276-K317 WeakPolarHBondContact OD2-CD 3.3Å; D276-K317 IonicContact OD2-NZ 3.8Å
277S95.8Very high96.5Very high26 Ų2651 Ų5118%0.18225%0.253CS..  trans-62.5131-175.6-172.10000112.5D274 L279 L280 A281 V310D274-S277 VanDerWaalsContact O-CB 3.27Å; D274-S277 WeakPolarHBondContact O-CB 3.48Å; D274-S277 PolarHBondContact O-N 3.35Å; S277-L279 PolarHBondContact O-N 3.21Å; S277-L279 VanDerWaalsContact O-N 3.08Å; S277-L280 WeakPolarHBondContact O-CB 3.37Å; S277-L280 PolarHBondContact O-N 3.46Å; S277-A281 PolarHBondContact O-N 3.07Å; S277-V310 WeakPolarHBondContact O-CG1 3.34Å
278R94.6Very high96.5Very high102 Ų10244.9 Ų44.939%0.38523%0.227SC..Hα-helixtrans-52.7-30.4174.7-174.4174.8179.2162.50.7113.1D276 A281 E282 E340D276-R278 PolarHBondContact O-N 3.48Å; R278-A281 WeakPolarHBondContact O-CB 3.4Å; R278-A281 PolarHBondContact O-N 3.02Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 PolarHBondContact O-N 3.07Å; R278-E340 IonicContact CZ-OE2 2.84Å; R278-E340 IonicContact NH1-OE2 3.45Å; R278-E340 PolarHBondContact NH1-OE2 2.9Å; R278-E340 IonicContact NH2-OE2 3.6Å; R278-E340 PolarHBondContact NH2-OE2 2.87Å
279L95.8Very high96.6Very high50 Ų5044.8 Ų44.826%0.26223%0.227SC..Hα-helixtrans-67.5-34.9176.9-62.1175.2000112.6Q269 L273 S277 E282 T283Q269-L279 PolarHBondContact OE1-O 3.3Å; L273-L279 HydrophobicContact CD1-CB 3.81Å; L273-L279 HydrophobicContact CD1-CD1 3.78Å; L273-L279 HydrophobicContact CD1-CG 4.37Å; S277-L279 PolarHBondContact O-N 3.21Å; S277-L279 VanDerWaalsContact O-N 3.08Å; L279-E282 PolarHBondContact O-N 3.41Å; L279-T283 WeakPolarHBondContact O-CB 3.35Å; L279-T283 PolarHBondContact O-N 3.03Å; L279-T283 PolarHBondContact O-OG1 2.96Å
280L96.9Very high96.6Very high8 Ų844.7 Ų44.74%0.04223%0.227CC..Hα-helixtrans-67.1-40.7173.1-66.6169.2000110.4L266 Q269 V270 D274 S277 T283 H284 V310L266-L280 HydrophobicContact CD1-CD2 3.75Å; Q269-L280 HydrophobicContact CB-CD2 3.59Å; Q269-L280 HydrophobicContact CB-CG 4.49Å; V270-L280 HydrophobicContact CG2-CD2 3.62Å; D274-L280 VanDerWaalsContact O-CD1 3.31Å; D274-L280 WeakPolarHBondContact O-CD1 3.08Å; S277-L280 WeakPolarHBondContact O-CB 3.37Å; S277-L280 PolarHBondContact O-N 3.46Å; L280-T283 PolarHBondContact O-N 3.18Å; L280-H284 WeakPolarHBondContact O-CB 3.37Å; L280-H284 PolarHBondContact O-CD2 3.26Å; L280-H284 PolarHBondContact O-N 3.12Å; L280-V310 HydrophobicContact CB-CG1 4.21Å; L280-V310 HydrophobicContact CB-CG2 4.43Å
281A97.1Very high96.7Very high4 Ų441.2 Ų41.23%0.03320%0.204CC..Hα-helixtrans-63.6-44.9175.200000112.2S277 R278 H284 Y285 S307 V310 I311S277-A281 PolarHBondContact O-N 3.07Å; R278-A281 WeakPolarHBondContact O-CB 3.4Å; R278-A281 PolarHBondContact O-N 3.02Å; A281-H284 PolarHBondContact O-N 3.19Å; A281-Y285 WeakPolarHBondContact O-CB 3.39Å; A281-Y285 PolarHBondContact O-N 3.49Å; A281-S307 WeakPolarHBondContact O-CB 3.49Å; A281-S307 PolarHBondContact O-OG 3.3Å; A281-V310 HydrophobicContact CB-CB 4.03Å; A281-V310 HydrophobicContact CB-CG1 3.82Å; A281-I311 HydrophobicContact CB-CD1 4.16Å; A281-I311 HydrophobicContact CB-CG1 3.66Å
282E96.9Very high96.7Very high68 Ų6836.3 Ų36.332%0.31819%0.187SC..Hα-helixtrans-58-48.4174.7-177.4177.4-175.200111L243 R278 L279 H284 Y285 Q286L243-E282 HydrophobicContact CD2-CG 4.33Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 PolarHBondContact O-N 3.07Å; L279-E282 PolarHBondContact O-N 3.41Å; E282-H284 PolarHBondContact O-N 3.36Å; E282-Y285 WeakPolarHBondContact O-CB 3.37Å; E282-Y285 PolarHBondContact O-N 3.08Å; E282-Y285 VanDerWaalsContact O-N 3.15Å; E282-Q286 WeakPolarHBondContact O-CG 3.45Å; E282-Q286 PolarHBondContact O-N 3.45Å
283T98.2Very high96.7Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-67.1-39-179-48.40000112.2L243 C265 L266 Q269 L279 L280 Y285 Q286 L287L243-T283 HydrophobicContact CD1-CG2 4.22Å; C265-T283 HydrophobicContact CB-CG2 4.19Å; L266-T283 HydrophobicContact CB-CG2 3.98Å; L266-T283 HydrophobicContact CD1-CG2 4.42Å; Q269-T283 PolarHBondContact NE2-OG1 3.43Å; Q269-T283 PolarHBondContact OE1-OG1 2.78Å; Q269-T283 VanDerWaalsContact OE1-OG1 3.07Å; L279-T283 WeakPolarHBondContact O-CB 3.35Å; L279-T283 PolarHBondContact O-N 3.03Å; L279-T283 PolarHBondContact O-OG1 2.96Å; L280-T283 PolarHBondContact O-N 3.18Å; T283-Y285 VanDerWaalsContact C-N 3.34Å; T283-Q286 PolarHBondContact O-N 3.47Å; T283-L287 WeakPolarHBondContact O-CG 3.37Å; T283-L287 PolarHBondContact O-N 3.44Å
284H98.4Very high96.8Very high36 Ų3638.6 Ų38.617%0.16720%0.2CC..Hα-helixtrans-65.8-33.9172-81.8-56.1000113.1L280 A281 E282 G288 A303L280-H284 WeakPolarHBondContact O-CB 3.37Å; L280-H284 PolarHBondContact O-CD2 3.26Å; L280-H284 PolarHBondContact O-N 3.12Å; A281-H284 PolarHBondContact O-N 3.19Å; E282-H284 PolarHBondContact O-N 3.36Å; H284-G288 PolarHBondContact O-N 2.88Å; H284-A303 CarbonylContact O-C 3.47Å
285Y98.3Very high96.8Very high61 Ų6139 Ų3924%0.23920%0.201CC..Hα-helixtrans-68.4-45.7174.2168.2-100.5000111.3A281 E282 T283 L287 G288 V289 L304 I348 K351A281-Y285 WeakPolarHBondContact O-CB 3.39Å; A281-Y285 PolarHBondContact O-N 3.49Å; E282-Y285 WeakPolarHBondContact O-CB 3.37Å; E282-Y285 PolarHBondContact O-N 3.08Å; E282-Y285 VanDerWaalsContact O-N 3.15Å; T283-Y285 VanDerWaalsContact C-N 3.34Å; Y285-L287 PolarHBondContact O-N 3.43Å; Y285-G288 WeakPolarHBondContact O-CA 3.47Å; Y285-G288 PolarHBondContact O-N 3.47Å; Y285-V289 HydrophobicContact CD1-CG2 4.49Å; Y285-V289 HydrophobicContact CD2-CG2 4.4Å; Y285-V289 HydrophobicContact CE1-CG2 4.03Å; Y285-V289 HydrophobicContact CE2-CG2 3.93Å; Y285-V289 PolarHBondContact O-N 3.05Å; Y285-L304 HydrophobicContact CD2-CD2 3.76Å; Y285-L304 HydrophobicContact CE2-CD2 4.32Å; Y285-I348 HydrophobicContact CD2-CD1 4.49Å; Y285-I348 HydrophobicContact CD2-CG1 3.9Å; Y285-I348 HydrophobicContact CD2-CG2 4.24Å; Y285-I348 HydrophobicContact CE2-CG1 4.19Å; Y285-K351 HydrophobicContact CE2-CD 4Å; Y285-K351 HydrophobicContact CE2-CG 4.36Å; Y285-K351 WeakPolarHBondContact OH-CE 3.41Å; Y285-K351 PolarHBondContact OH-NZ 3.24Å
286Q98.3Very high96.8Very high34 Ų3437.6 Ų37.616%0.15919%0.186CC..Hα-helixtrans-63.3-40.1177-64.2-66.316.100112.4L243 E247 F262 E282 T283 G288 V289 A290L243-Q286 HydrophobicContact CD1-CG 4.22Å; E247-Q286 PolarHBondContact OE1-NE2 3Å; F262-Q286 HydrophobicContact CD1-CB 4.15Å; F262-Q286 HydrophobicContact CD2-CB 4.38Å; F262-Q286 HydrophobicContact CE1-CB 3.72Å; F262-Q286 HydrophobicContact CE1-CG 4.24Å; F262-Q286 HydrophobicContact CE2-CB 4Å; F262-Q286 HydrophobicContact CG-CB 4.48Å; F262-Q286 HydrophobicContact CZ-CB 3.66Å; F262-Q286 HydrophobicContact CZ-CG 4.35Å; E282-Q286 WeakPolarHBondContact O-CG 3.45Å; E282-Q286 PolarHBondContact O-N 3.45Å; T283-Q286 PolarHBondContact O-N 3.47Å; Q286-G288 VanDerWaalsContact C-N 3.29Å; Q286-G288 PolarHBondContact O-N 3.49Å; Q286-V289 PolarHBondContact O-N 3.37Å; Q286-A290 WeakPolarHBondContact O-CB 3.06Å; Q286-A290 PolarHBondContact O-N 3.49Å
287L98.4Very high97Very high11 Ų1139.8 Ų39.86%0.05819%0.194CC..Hα-helixtrans-56.7-43168.6-79.1168000111.8L259 F262 Q263 L266 T283 Y285 A290 H291 A303L259-L287 HydrophobicContact CD2-CD2 3.86Å; F262-L287 HydrophobicContact CB-CD2 3.48Å; F262-L287 VanDerWaalsContact CB-CD2 3.48Å; F262-L287 HydrophobicContact CB-CG 3.75Å; F262-L287 HydrophobicContact CD2-CD2 4.37Å; F262-L287 HydrophobicContact CG-CD2 4.38Å; Q263-L287 HydrophobicContact CG-CD2 4.26Å; L266-L287 HydrophobicContact CD2-CD1 4.03Å; T283-L287 WeakPolarHBondContact O-CG 3.37Å; T283-L287 PolarHBondContact O-N 3.44Å; Y285-L287 PolarHBondContact O-N 3.43Å; L287-A290 PolarHBondContact O-N 3.04Å; L287-H291 WeakPolarHBondContact O-CB 3.47Å; L287-H291 PolarHBondContact O-CD2 3.46Å; L287-H291 PolarHBondContact O-N 3.39Å; L287-A303 HydrophobicContact CB-CB 4Å
288G97.8Very high97.1Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-58.7-51.2175.800000113H284 Y285 Q286 H291 S292 A300H284-G288 PolarHBondContact O-N 2.88Å; Y285-G288 WeakPolarHBondContact O-CA 3.47Å; Y285-G288 PolarHBondContact O-N 3.47Å; Q286-G288 VanDerWaalsContact C-N 3.29Å; Q286-G288 PolarHBondContact O-N 3.49Å; G288-H291 PolarHBondContact O-N 2.98Å; G288-S292 PolarHBondContact O-N 3.11Å; G288-S292 PolarHBondContact O-OG 3.08Å; G288-A300 WeakPolarHBondContact O-CB 3.24Å
289V97.1Very high97.2Very high27 Ų2740 Ų4016%0.16421%0.209CC..Hα-helixtrans-60.9-46.6177.5174.70000111.2Y285 Q286 H291 S292 L293 K351Y285-V289 HydrophobicContact CD1-CG2 4.49Å; Y285-V289 HydrophobicContact CD2-CG2 4.4Å; Y285-V289 HydrophobicContact CE1-CG2 4.03Å; Y285-V289 HydrophobicContact CE2-CG2 3.93Å; Y285-V289 PolarHBondContact O-N 3.05Å; Q286-V289 PolarHBondContact O-N 3.37Å; V289-H291 PolarHBondContact O-N 2.99Å; V289-S292 PolarHBondContact O-N 2.96Å; V289-L293 HydrophobicContact CG1-CD1 3.99Å; V289-L293 WeakPolarHBondContact O-CG 3.4Å; V289-L293 PolarHBondContact O-N 3.49Å; V289-K351 HydrophobicContact CG2-CD 4.31Å
290A97.8Very high97.3Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-63.8-39.4178.700000112.8V250 L259 F262 Q286 L287 L293 N294V250-A290 HydrophobicContact CG2-CB 4.07Å; L259-A290 HydrophobicContact CD2-CB 3.75Å; L259-A290 HydrophobicContact CG-CB 4.21Å; F262-A290 HydrophobicContact CD2-CB 4.24Å; F262-A290 HydrophobicContact CE2-CB 3.97Å; Q286-A290 WeakPolarHBondContact O-CB 3.06Å; Q286-A290 PolarHBondContact O-N 3.49Å; L287-A290 PolarHBondContact O-N 3.04Å; A290-L293 PolarHBondContact O-N 2.82Å; A290-N294 VanDerWaalsContact O-CB 3.3Å; A290-N294 WeakPolarHBondContact O-CB 3.32Å; A290-N294 PolarHBondContact O-N 2.79Å
291H98.1Very high97.4Very high22 Ų2238.9 Ų38.910%0.10220%0.203CC..Hα-helixtrans-65.3-38.4172.8-78-58.5000112.2L287 G288 V289 N294 L295 Q296 L299 A300L287-H291 WeakPolarHBondContact O-CB 3.47Å; L287-H291 PolarHBondContact O-CD2 3.46Å; L287-H291 PolarHBondContact O-N 3.39Å; G288-H291 PolarHBondContact O-N 2.98Å; V289-H291 PolarHBondContact O-N 2.99Å; H291-N294 CarbonylContact O-C 3.54Å; H291-N294 PolarHBondContact O-N 3.37Å; H291-L295 PolarHBondContact O-N 3.36Å; H291-Q296 HydrophobicContact CB-CB 4.21Å; H291-Q296 PolarHBondContact CE1-OE1 3.37Å; H291-Q296 PolarHBondContact ND1-OE1 3.48Å; H291-Q296 WeakPolarHBondContact O-CA 3.46Å; H291-Q296 PolarHBondContact O-N 2.6Å; H291-L299 HydrophobicContact CB-CB 4.28Å; H291-A300 HydrophobicContact CB-CB 3.7Å
292S96.4Very high97.4Very high30 Ų3044.8 Ų44.821%0.2123%0.23CC..Hα-helixtrans-63.5-44.2175.5-73.90000112.1G288 V289 N294 L295 A300G288-S292 PolarHBondContact O-N 3.11Å; G288-S292 PolarHBondContact O-OG 3.08Å; V289-S292 PolarHBondContact O-N 2.96Å; S292-N294 VanDerWaalsContact C-N 3.3Å; S292-N294 PolarHBondContact O-N 2.98Å; S292-L295 PolarHBondContact O-N 3.1Å; S292-A300 VanDerWaalsContact OG-CB 3.24Å; S292-A300 WeakPolarHBondContact OG-CB 3.17Å
293L95.9Very high97.5Very high76 Ų7642 Ų4240%0.39822%0.218SC..Hα-helixtrans-65.8-32.6176.8-67.2170000112.3V250 Y255 V289 A290 L295V250-L293 HydrophobicContact CG1-CD1 3.56Å; Y255-L293 HydrophobicContact CD1-CB 4.01Å; Y255-L293 HydrophobicContact CD2-CB 4.4Å; Y255-L293 HydrophobicContact CE1-CB 3.72Å; Y255-L293 HydrophobicContact CE1-CD1 4Å; Y255-L293 HydrophobicContact CE1-CG 4.43Å; Y255-L293 HydrophobicContact CE2-CB 4.13Å; Y255-L293 WeakPolarHBondContact CE2-O 3.45Å; Y255-L293 HydrophobicContact CG-CB 4.36Å; V289-L293 HydrophobicContact CG1-CD1 3.99Å; V289-L293 WeakPolarHBondContact O-CG 3.4Å; V289-L293 PolarHBondContact O-N 3.49Å; A290-L293 PolarHBondContact O-N 2.82Å; L293-L295 PolarHBondContact O-N 3.1Å
294N96.6Very high97.5Very high37 Ų3742 Ų4220%0.19822%0.218CC..THydrogen-bonded Turntrans-81.612.2172.4-152.319.1000113.4Y255 N256 A290 H291 S292 Q296Y255-N294 HydrophobicContact CD2-CB 4.2Å; Y255-N294 HydrophobicContact CG-CB 4.33Å; N256-N294 PolarHBondContact OD1-ND2 3.2Å; A290-N294 VanDerWaalsContact O-CB 3.3Å; A290-N294 WeakPolarHBondContact O-CB 3.32Å; A290-N294 PolarHBondContact O-N 2.79Å; H291-N294 CarbonylContact O-C 3.54Å; H291-N294 PolarHBondContact O-N 3.37Å; S292-N294 VanDerWaalsContact C-N 3.3Å; S292-N294 PolarHBondContact O-N 2.98Å; N294-Q296 HydrophobicContact CB-CG 4.47Å; N294-Q296 PolarHBondContact ND2-NE2 3.48Å; N294-Q296 PolarHBondContact O-N 3.28Å
295L95.4Very high97.5Very high122 Ų12244 Ų4464%0.63923%0.23SC*.THydrogen-bonded Turntrans58.415.1-178.3-48.4178.8000115.3H291 S292 L293 Y297H291-L295 PolarHBondContact O-N 3.36Å; S292-L295 PolarHBondContact O-N 3.1Å; L293-L295 PolarHBondContact O-N 3.1Å; L295-Y297 HydrophobicContact CB-CE2 4.34Å; L295-Y297 WeakPolarHBondContact CD2-OH 3.26Å; L295-Y297 WeakPolarHBondContact O-CD2 3.42Å; L295-Y297 PolarHBondContact O-N 2.99Å; L295-Y297 VanDerWaalsContact O-N 3.09Å
296Q96.4Very high97.5Very high69 Ų6943 Ų4332%0.32223%0.232SC..  trans-87.751.4-179.2-69.8173.6-6.200111.4H291 N294 A298 L299 A300H291-Q296 HydrophobicContact CB-CB 4.21Å; H291-Q296 PolarHBondContact CE1-OE1 3.37Å; H291-Q296 PolarHBondContact ND1-OE1 3.48Å; H291-Q296 WeakPolarHBondContact O-CA 3.46Å; H291-Q296 PolarHBondContact O-N 2.6Å; N294-Q296 HydrophobicContact CB-CG 4.47Å; N294-Q296 PolarHBondContact ND2-NE2 3.48Å; N294-Q296 PolarHBondContact O-N 3.28Å; Q296-A298 VanDerWaalsContact C-N 3.27Å; Q296-A298 PolarHBondContact O-N 3.06Å; Q296-L299 HydrophobicContact CB-CB 4.42Å; Q296-L299 HydrophobicContact CB-CD1 4.33Å; Q296-L299 PolarHBondContact O-N 3.06Å; Q296-A300 PolarHBondContact O-N 2.84Å
297Y97.3Very high97.5Very high52 Ų5241.4 Ų41.420%0.20422%0.224CC..Hα-helixtrans-50.3-39-168.5-59.3-66.4000115L295 L299 A300 I301 A355 G358 M359L295-Y297 HydrophobicContact CB-CE2 4.34Å; L295-Y297 WeakPolarHBondContact CD2-OH 3.26Å; L295-Y297 WeakPolarHBondContact O-CD2 3.42Å; L295-Y297 PolarHBondContact O-N 2.99Å; L295-Y297 VanDerWaalsContact O-N 3.09Å; Y297-L299 VanDerWaalsContact C-N 3.33Å; Y297-L299 PolarHBondContact O-N 3.19Å; Y297-A300 WeakPolarHBondContact O-CB 3.17Å; Y297-A300 PolarHBondContact O-N 3.44Å; Y297-I301 WeakPolarHBondContact O-CD1 3.37Å; Y297-I301 VanDerWaalsContact O-CG1 3.24Å; Y297-I301 WeakPolarHBondContact O-CG1 3.2Å; Y297-I301 PolarHBondContact O-N 2.88Å; Y297-A355 WeakPolarHBondContact CB-O 3.11Å; Y297-A355 HydrophobicContact CD1-CB 4.28Å; Y297-G358 WeakPolarHBondContact CE2-O 3.45Å; Y297-M359 HydrophobicContact CG-CB 4.35Å
298A96.9Very high97.5Very high57 Ų5741.2 Ų41.247%0.47122%0.223SC..Hα-helixtrans-62.7-36.6177.700000113.2Q296 Q302 M359Q296-A298 VanDerWaalsContact C-N 3.27Å; Q296-A298 PolarHBondContact O-N 3.06Å; A298-Q302 PolarHBondContact O-N 3.31Å; A298-M359 HydrophobicContact CB-CE 4.23Å; A298-M359 HydrophobicContact CB-SD 4.33Å
299L97.7Very high97.5Very high77 Ų7744 Ų4440%0.40324%0.243SC..Hα-helixtrans-76.7-35.6174.7-60.5180000111.1H291 Q296 Y297 Q302 A303H291-L299 HydrophobicContact CB-CB 4.28Å; Q296-L299 HydrophobicContact CB-CB 4.42Å; Q296-L299 HydrophobicContact CB-CD1 4.33Å; Q296-L299 PolarHBondContact O-N 3.06Å; Y297-L299 VanDerWaalsContact C-N 3.33Å; Y297-L299 PolarHBondContact O-N 3.19Å; L299-Q302 PolarHBondContact O-N 2.93Å; L299-A303 WeakPolarHBondContact O-CB 3.48Å; L299-A303 PolarHBondContact O-N 3.18Å
300A97.9Very high97.5Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-58.9-51.417400000111.6G288 H291 S292 Q296 Y297 Q302 A303 L304 A355G288-A300 WeakPolarHBondContact O-CB 3.24Å; H291-A300 HydrophobicContact CB-CB 3.7Å; S292-A300 VanDerWaalsContact OG-CB 3.24Å; S292-A300 WeakPolarHBondContact OG-CB 3.17Å; Q296-A300 PolarHBondContact O-N 2.84Å; Y297-A300 WeakPolarHBondContact O-CB 3.17Å; Y297-A300 PolarHBondContact O-N 3.44Å; A300-Q302 VanDerWaalsContact C-N 3.27Å; A300-Q302 PolarHBondContact O-N 3Å; A300-A303 PolarHBondContact O-N 3.41Å; A300-A303 VanDerWaalsContact O-N 3.16Å; A300-L304 WeakPolarHBondContact O-CB 3.42Å; A300-L304 VanDerWaalsContact O-CG 3.28Å; A300-L304 WeakPolarHBondContact O-CG 3.47Å; A300-L304 PolarHBondContact O-N 2.84Å; A300-A355 HydrophobicContact CB-CB 4.3Å
301I98.1Very high97.5Very high33 Ų3343.6 Ų43.617%0.16924%0.24CC..Hα-helixtrans-56.2-41.5175.9-66.7161.6000110.7Y297 N305 V352 A355 T356 M359Y297-I301 WeakPolarHBondContact O-CD1 3.37Å; Y297-I301 VanDerWaalsContact O-CG1 3.24Å; Y297-I301 WeakPolarHBondContact O-CG1 3.2Å; Y297-I301 PolarHBondContact O-N 2.88Å; I301-N305 VanDerWaalsContact O-CB 3.31Å; I301-N305 WeakPolarHBondContact O-CB 3.24Å; I301-N305 PolarHBondContact O-N 2.83Å; I301-N305 PolarHBondContact O-ND2 3.12Å; I301-V352 HydrophobicContact CG2-CG1 4.4Å; I301-A355 HydrophobicContact CD1-CB 4.43Å; I301-A355 HydrophobicContact CG1-CB 3.78Å; I301-T356 WeakPolarHBondContact CD1-OG1 3.39Å; I301-M359 HydrophobicContact CD1-SD 4.07Å
302Q98.3Very high97.5Very high129 Ų12947 Ų4760%0.60326%0.255SS*.Hα-helixtrans-66.1-42.3177.5-175.4179.5-6.300112.9A298 L299 A300 S306A298-Q302 PolarHBondContact O-N 3.31Å; L299-Q302 PolarHBondContact O-N 2.93Å; A300-Q302 VanDerWaalsContact C-N 3.27Å; A300-Q302 PolarHBondContact O-N 3Å; Q302-S306 PolarHBondContact O-N 3.41Å; Q302-S306 PolarHBondContact O-OG 2.87Å
303A98.2Very high97.5Very high9 Ų948.9 Ų48.97%0.07426%0.262CS..Hα-helixtrans-70.7-45.218000000111.7H284 L287 L299 A300 N305 S306 S307H284-A303 CarbonylContact O-C 3.47Å; L287-A303 HydrophobicContact CB-CB 4Å; L299-A303 WeakPolarHBondContact O-CB 3.48Å; L299-A303 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.41Å; A300-A303 VanDerWaalsContact O-N 3.16Å; A303-N305 PolarHBondContact O-N 3.3Å; A303-S306 WeakPolarHBondContact O-CA 3.35Å; A303-S306 VanDerWaalsContact O-CB 3.29Å; A303-S306 WeakPolarHBondContact O-CB 3.38Å; A303-S306 PolarHBondContact O-N 3.43Å; A303-S306 VanDerWaalsContact O-N 3.08Å; A303-S307 PolarHBondContact O-N 2.96Å
304L98.5Very high97.5Very high1 Ų147.9 Ų47.91%0.00525%0.253CS..Hα-helixtrans-61.7-42.3175.4-65.5170.4000111.9Y285 A300 S306 S307 I308 I348 K351 V352Y285-L304 HydrophobicContact CD2-CD2 3.76Å; Y285-L304 HydrophobicContact CE2-CD2 4.32Å; A300-L304 WeakPolarHBondContact O-CB 3.42Å; A300-L304 VanDerWaalsContact O-CG 3.28Å; A300-L304 WeakPolarHBondContact O-CG 3.47Å; A300-L304 PolarHBondContact O-N 2.84Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 3.37Å; L304-S307 WeakPolarHBondContact O-CB 3.33Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 VanDerWaalsContact O-N 3.16Å; L304-I308 WeakPolarHBondContact O-CG1 3.47Å; L304-I308 PolarHBondContact O-N 2.95Å; L304-I348 HydrophobicContact CB-CG2 4.38Å; L304-I348 HydrophobicContact CD2-CG2 4.15Å; L304-K351 HydrophobicContact CD1-CB 3.91Å; L304-K351 WeakPolarHBondContact CD1-O 3.24Å; L304-K351 HydrophobicContact CD2-CB 4.33Å; L304-V352 HydrophobicContact CB-CG2 3.43Å; L304-V352 VanDerWaalsContact CB-CG2 3.43Å; L304-V352 HydrophobicContact CD1-CG2 3.9Å; L304-V352 HydrophobicContact CG-CG2 4.31Å
305N98.4Very high97.4Very high76 Ų7647.1 Ų47.141%0.40625%0.249SC..Hα-helixtrans-65.2-31.2173.8-84.4-81.2000112.8I301 A303 S309I301-N305 VanDerWaalsContact O-CB 3.31Å; I301-N305 WeakPolarHBondContact O-CB 3.24Å; I301-N305 PolarHBondContact O-N 2.83Å; I301-N305 PolarHBondContact O-ND2 3.12Å; A303-N305 PolarHBondContact O-N 3.3Å; N305-S309 WeakPolarHBondContact O-CB 3.5Å; N305-S309 PolarHBondContact O-N 3.13Å
306S98.1Very high97.4Very high40 Ų4047.4 Ų47.428%0.2825%0.247SC..Hα-helixtrans-65.4-42171.2-56.70000111.6Q302 A303 L304 S309 V310Q302-S306 PolarHBondContact O-N 3.41Å; Q302-S306 PolarHBondContact O-OG 2.87Å; A303-S306 WeakPolarHBondContact O-CA 3.35Å; A303-S306 VanDerWaalsContact O-CB 3.29Å; A303-S306 WeakPolarHBondContact O-CB 3.38Å; A303-S306 PolarHBondContact O-N 3.43Å; A303-S306 VanDerWaalsContact O-N 3.08Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 3.37Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.27Å; S306-V310 WeakPolarHBondContact O-CG2 3.45Å; S306-V310 PolarHBondContact O-N 3.32Å
307S98.1Very high97.3Very high1 Ų148.4 Ų48.41%0.00725%0.25CS..Hα-helixtrans-59.9-50.1173.1-174.50000112A281 A303 L304 S309 V310 I311A281-S307 WeakPolarHBondContact O-CB 3.49Å; A281-S307 PolarHBondContact O-OG 3.3Å; A303-S307 PolarHBondContact O-N 2.96Å; L304-S307 WeakPolarHBondContact O-CB 3.33Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 VanDerWaalsContact O-N 3.16Å; S307-S309 PolarHBondContact O-N 3.36Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.16Å; S307-I311 WeakPolarHBondContact O-CG1 3.27Å; S307-I311 PolarHBondContact O-N 3.34Å
308I98Very high97Very high7 Ų745.9 Ų45.94%0.03624%0.241CC..Hα-helixtrans-54.8-38.8174.5-71.9168.9000111.7L304 K312 L345 I348 Q349 V352L304-I308 WeakPolarHBondContact O-CG1 3.47Å; L304-I308 PolarHBondContact O-N 2.95Å; I308-K312 HydrophobicContact CG2-CD 3.87Å; I308-K312 VanDerWaalsContact CG2-CE 3.49Å; I308-K312 WeakPolarHBondContact O-CB 3.44Å; I308-K312 VanDerWaalsContact O-CG 3.29Å; I308-K312 WeakPolarHBondContact O-CG 3.47Å; I308-K312 PolarHBondContact O-N 2.84Å; I308-L345 HydrophobicContact CB-CD2 4.33Å; I308-L345 HydrophobicContact CG1-CD2 4.21Å; I308-L345 HydrophobicContact CG2-CD2 3.97Å; I308-I348 HydrophobicContact CD1-CG2 3.94Å; I308-I348 HydrophobicContact CG1-CB 4.17Å; I308-I348 HydrophobicContact CG1-CG2 3.63Å; I308-Q349 HydrophobicContact CD1-CG 3.85Å; I308-V352 HydrophobicContact CD1-CG2 4.04Å
309S98Very high96.8Very high58 Ų5846.9 Ų46.941%0.40624%0.236SC..Hα-helixtrans-66.6-47177.7-169.70000112.1N305 S306 S307 I311 K312 N313N305-S309 WeakPolarHBondContact O-CB 3.5Å; N305-S309 PolarHBondContact O-N 3.13Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.27Å; S307-S309 PolarHBondContact O-N 3.36Å; S309-I311 VanDerWaalsContact C-N 3.34Å; S309-I311 PolarHBondContact O-N 2.98Å; S309-K312 PolarHBondContact O-N 2.91Å; S309-N313 PolarHBondContact O-N 2.89Å; S309-N313 PolarHBondContact O-ND2 2.95Å
310V97.8Very high96.5Very high13 Ų1348.6 Ų48.68%0.07924%0.241CC..Hα-helixtrans-59.9-44.3175.41760000111S277 L280 A281 S306 S307 K312 N313 R314S277-V310 WeakPolarHBondContact O-CG1 3.34Å; L280-V310 HydrophobicContact CB-CG1 4.21Å; L280-V310 HydrophobicContact CB-CG2 4.43Å; A281-V310 HydrophobicContact CB-CB 4.03Å; A281-V310 HydrophobicContact CB-CG1 3.82Å; S306-V310 WeakPolarHBondContact O-CG2 3.45Å; S306-V310 PolarHBondContact O-N 3.32Å; S307-V310 PolarHBondContact O-N 3.26Å; S307-V310 VanDerWaalsContact O-N 3.16Å; V310-K312 PolarHBondContact O-N 3.13Å; V310-N313 PolarHBondContact O-N 2.88Å; V310-R314 WeakPolarHBondContact O-CB 3.33Å; V310-R314 PolarHBondContact O-N 3.07Å
311I97.5Very high96.1Very high6 Ų652 Ų523%0.03126%0.258CS..Hα-helixtrans-62.6-41.7177.8-66.6169.1000111.5A281 S307 S309 R314 L315 L341 L345 I348A281-I311 HydrophobicContact CB-CD1 4.16Å; A281-I311 HydrophobicContact CB-CG1 3.66Å; S307-I311 WeakPolarHBondContact O-CG1 3.27Å; S307-I311 PolarHBondContact O-N 3.34Å; S309-I311 VanDerWaalsContact C-N 3.34Å; S309-I311 PolarHBondContact O-N 2.98Å; I311-R314 WeakPolarHBondContact O-CB 3.45Å; I311-R314 PolarHBondContact O-N 3.26Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.33Å; I311-L315 WeakPolarHBondContact O-CG 3.34Å; I311-L315 PolarHBondContact O-N 3.48Å; I311-L341 HydrophobicContact CG1-CD2 4.27Å; I311-L341 HydrophobicContact CG2-CB 4.07Å; I311-L341 HydrophobicContact CG2-CD2 4.1Å; I311-L345 HydrophobicContact CB-CD2 4.23Å; I311-L345 HydrophobicContact CG2-CD1 4.16Å; I311-L345 HydrophobicContact CG2-CD2 3.87Å; I311-L345 HydrophobicContact CG2-CG 3.77Å; I311-I348 HydrophobicContact CD1-CD1 3.36Å
312K97.2Very high95.6Very high94 Ų9452 Ų5241%0.40926%0.258SS..Hα-helixtrans-64.2-45.8175.9-76167.5-179.1168.20111.9I308 S309 V310 R314 L315 E316 L345I308-K312 HydrophobicContact CG2-CD 3.87Å; I308-K312 VanDerWaalsContact CG2-CE 3.49Å; I308-K312 WeakPolarHBondContact O-CB 3.44Å; I308-K312 VanDerWaalsContact O-CG 3.29Å; I308-K312 WeakPolarHBondContact O-CG 3.47Å; I308-K312 PolarHBondContact O-N 2.84Å; S309-K312 PolarHBondContact O-N 2.91Å; V310-K312 PolarHBondContact O-N 3.13Å; K312-R314 PolarHBondContact O-N 3.42Å; K312-L315 PolarHBondContact O-N 3.27Å; K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3Å; K312-L345 HydrophobicContact CG-CD1 4.37Å
313N96.5Very high95.1Very high69 Ų6951.6 Ų51.637%0.36926%0.26SS..Hα-helixtrans-58.4-37.4174.4-63.7-28.2000112D276 S309 V310 K317D276-N313 HydrophobicContact CB-CB 4.36Å; S309-N313 PolarHBondContact O-N 2.89Å; S309-N313 PolarHBondContact O-ND2 2.95Å; V310-N313 PolarHBondContact O-N 2.88Å; N313-K317 WeakPolarHBondContact O-CG 3.45Å; N313-K317 PolarHBondContact O-N 3.14Å; N313-K317 VanDerWaalsContact O-N 3.15Å
314R96.2Very high94.6Very high56 Ų5657.7 Ų57.721%0.21129%0.285CS..Hα-helixtrans-68.6-45.7176.1-17558.1-176.8170.57.3112.1D276 V310 I311 K312 E316 K317 L318 E337 L341D276-R314 HydrophobicContact CB-CB 4.12Å; D276-R314 WeakPolarHBondContact O-CB 3.44Å; D276-R314 WeakPolarHBondContact O-CD 3.38Å; D276-R314 WeakPolarHBondContact OD2-CD 3.49Å; D276-R314 IonicContact OD2-CZ 3.88Å; D276-R314 IonicContact OD2-NE 2.69Å; D276-R314 IonicContact OD2-NH1 2.97Å; D276-R314 PolarHBondContact OD2-NH1 2.81Å; V310-R314 WeakPolarHBondContact O-CB 3.33Å; V310-R314 PolarHBondContact O-N 3.07Å; I311-R314 WeakPolarHBondContact O-CB 3.45Å; I311-R314 PolarHBondContact O-N 3.26Å; K312-R314 PolarHBondContact O-N 3.42Å; R314-E316 VanDerWaalsContact C-N 3.34Å; R314-E316 PolarHBondContact O-N 2.84Å; R314-K317 PolarHBondContact O-N 2.79Å; R314-L318 HydrophobicContact CG-CD1 3.99Å; R314-L318 WeakPolarHBondContact O-CB 3.23Å; R314-L318 VanDerWaalsContact O-CG 3.31Å; R314-L318 WeakPolarHBondContact O-CG 3.5Å; R314-L318 PolarHBondContact O-N 3.27Å; R314-E337 IonicContact CZ-OE1 3.44Å; R314-E337 IonicContact CZ-OE2 3.62Å; R314-E337 IonicContact NE-OE1 3.61Å; R314-E337 PolarHBondContact NE-OE1 2.91Å; R314-E337 IonicContact NE-OE2 3.94Å; R314-E337 IonicContact NH2-OE1 2.76Å; R314-E337 PolarHBondContact NH2-OE1 2.79Å; R314-E337 IonicContact NH2-OE2 2.74Å; R314-E337 PolarHBondContact NH2-OE2 2.89Å; R314-L341 HydrophobicContact CB-CD1 4.18Å; R314-L341 HydrophobicContact CG-CD1 3.53Å
315L95.6Very high93.9Very high20 Ų2059 Ų5911%0.10530%0.296CS..Hα-helixtrans-61.2-39.9176-75.9171.2000112.5I311 K312 L318 Q319 M338 L341 K342 L345I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.33Å; I311-L315 WeakPolarHBondContact O-CG 3.34Å; I311-L315 PolarHBondContact O-N 3.48Å; K312-L315 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 2.82Å; L315-Q319 WeakPolarHBondContact O-CB 3.23Å; L315-Q319 PolarHBondContact O-N 3.44Å; L315-M338 HydrophobicContact CD2-CB 4.27Å; L315-M338 HydrophobicContact CD2-CG 3.57Å; L315-L341 HydrophobicContact CD1-CB 4.36Å; L315-L341 HydrophobicContact CD2-CB 3.71Å; L315-L341 HydrophobicContact CD2-CD1 4.41Å; L315-L341 HydrophobicContact CG-CB 4.01Å; L315-K342 HydrophobicContact CD1-CG 4.18Å; L315-K342 HydrophobicContact CD2-CG 4Å; L315-L345 HydrophobicContact CD1-CD1 3.61Å
316E95.6Very high92.8Very high128 Ų12865.3 Ų65.360%0.59832%0.323SS*.Hα-helixtrans-62.6-46.4174.5-74176.2-166.900111.3K312 R314 Q319 E320K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3Å; R314-E316 VanDerWaalsContact C-N 3.34Å; R314-E316 PolarHBondContact O-N 2.84Å; E316-Q319 PolarHBondContact O-N 3.2Å; E316-E320 WeakPolarHBondContact O-CB 3.4Å; E316-E320 PolarHBondContact O-N 3.24Å
317K93.3Very high91.4Very high90 Ų9064.9 Ų64.939%0.39133%0.325SS..Hα-helixtrans-62.7-41.5174.7-77.9178.1171.1-164.70113.2D276 N313 R314 E320 M321D276-K317 HydrophobicContact CB-CD 3.91Å; D276-K317 VanDerWaalsContact CG-NZ 3.33Å; D276-K317 IonicContact OD1-NZ 2.65Å; D276-K317 PolarHBondContact OD1-NZ 2.79Å; D276-K317 VanDerWaalsContact OD2-CD 3.28Å; D276-K317 WeakPolarHBondContact OD2-CD 3.3Å; D276-K317 IonicContact OD2-NZ 3.8Å; N313-K317 WeakPolarHBondContact O-CG 3.45Å; N313-K317 PolarHBondContact O-N 3.14Å; N313-K317 VanDerWaalsContact O-N 3.15Å; R314-K317 PolarHBondContact O-N 2.79Å; K317-E320 WeakPolarHBondContact O-CB 3.47Å; K317-E320 PolarHBondContact O-N 3Å; K317-M321 WeakPolarHBondContact O-CG 3.5Å; K317-M321 PolarHBondContact O-N 3.01Å
318L92.2Very high89.8Confident0 Ų070.2 Ų70.20%036%0.359CS..Hα-helixtrans-62.6-45.3175.6-72.9164.4000110.9R314 L315 E320 M321 M322 E334 E337 M338 L341R314-L318 HydrophobicContact CG-CD1 3.99Å; R314-L318 WeakPolarHBondContact O-CB 3.23Å; R314-L318 VanDerWaalsContact O-CG 3.31Å; R314-L318 WeakPolarHBondContact O-CG 3.5Å; R314-L318 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 2.82Å; L318-E320 VanDerWaalsContact C-N 3.35Å; L318-E320 PolarHBondContact O-N 3.32Å; L318-M321 HydrophobicContact CD2-CE 3.83Å; L318-M321 HydrophobicContact CG-CE 4.5Å; L318-M321 PolarHBondContact O-N 3.44Å; L318-M321 VanDerWaalsContact O-N 3.11Å; L318-M322 WeakPolarHBondContact O-CG 3.31Å; L318-M322 PolarHBondContact O-N 3.01Å; L318-E334 HydrophobicContact CD2-CB 3.76Å; L318-E334 HydrophobicContact CD2-CG 4.01Å; L318-E337 HydrophobicContact CD1-CB 4.31Å; L318-E337 HydrophobicContact CD1-CG 4.11Å; L318-M338 HydrophobicContact CB-CE 3.81Å; L318-M338 HydrophobicContact CD1-CB 4.3Å; L318-L341 HydrophobicContact CD1-CD1 3.84Å
319Q91.8Very high88.3Confident78 Ų7878.8 Ų78.836%0.36440%0.399SS..Hα-helixtrans-61.8-43.6175.6-171.265.161.100111.1L315 E316 M321 M322 D323 M338L315-Q319 WeakPolarHBondContact O-CB 3.23Å; L315-Q319 PolarHBondContact O-N 3.44Å; E316-Q319 PolarHBondContact O-N 3.2Å; Q319-M321 PolarHBondContact O-N 3.32Å; Q319-M322 PolarHBondContact O-N 2.93Å; Q319-D323 PolarHBondContact NE2-OD1 3.46Å; Q319-D323 WeakPolarHBondContact O-CB 3.33Å; Q319-D323 VanDerWaalsContact O-CG 3.22Å; Q319-D323 PolarHBondContact O-N 3.33Å; Q319-M338 HydrophobicContact CB-CE 4.22Å
320E91.9Very high86.7Confident112 Ų11277.6 Ų77.652%0.52339%0.393SS..Hα-helixtrans-60.1-27.5173.9-99.5-156.4-126.200113.8E316 K317 L318 K324E316-E320 WeakPolarHBondContact O-CB 3.4Å; E316-E320 PolarHBondContact O-N 3.24Å; K317-E320 WeakPolarHBondContact O-CB 3.47Å; K317-E320 PolarHBondContact O-N 3Å; L318-E320 VanDerWaalsContact C-N 3.35Å; L318-E320 PolarHBondContact O-N 3.32Å; E320-K324 WeakPolarHBondContact O-CD 3.46Å; E320-K324 WeakPolarHBondContact O-CE 3.34Å; E320-K324 WeakPolarHBondContact O-CG 3.14Å; E320-K324 PolarHBondContact O-NZ 2.93Å; E320-K324 VanDerWaalsContact O-NZ 3.08Å; E320-K324 IonicContact OE2-NZ 2.64Å; E320-K324 PolarHBondContact OE2-NZ 3.28Å
321M89Confident85.9Confident72 Ų7279.6 Ų79.636%0.35540%0.403SS..Hα-helixtrans-81.1-41.1174.1-69.9-173.1-59.800111.5K317 L318 Q319 D323 K324 A325 L331 E334K317-M321 WeakPolarHBondContact O-CG 3.5Å; K317-M321 PolarHBondContact O-N 3.01Å; L318-M321 HydrophobicContact CD2-CE 3.83Å; L318-M321 HydrophobicContact CG-CE 4.5Å; L318-M321 PolarHBondContact O-N 3.44Å; L318-M321 VanDerWaalsContact O-N 3.11Å; Q319-M321 PolarHBondContact O-N 3.32Å; M321-D323 PolarHBondContact O-N 3.07Å; M321-K324 PolarHBondContact O-N 2.78Å; M321-A325 PolarHBondContact O-N 3.03Å; M321-L331 HydrophobicContact CB-CD1 4.12Å; M321-E334 HydrophobicContact CE-CG 4.48Å
322M86.6Confident85.4Confident33 Ų3385.1 Ų85.116%0.16343%0.429CS..Hα-helixtrans-59.2-44.5173.2-66.7-52.1-50.900112.1L318 Q319 K324 A325 L331 M338L318-M322 WeakPolarHBondContact O-CG 3.31Å; L318-M322 PolarHBondContact O-N 3.01Å; Q319-M322 PolarHBondContact O-N 2.93Å; M322-K324 PolarHBondContact O-N 2.87Å; M322-A325 WeakPolarHBondContact O-CB 3.38Å; M322-A325 PolarHBondContact O-N 2.93Å; M322-L331 HydrophobicContact CE-CB 4.32Å; M322-L331 HydrophobicContact SD-CB 3.65Å; M322-L331 HydrophobicContact SD-CD1 4.08Å; M322-L331 HydrophobicContact SD-CG 4.45Å; M322-M338 HydrophobicContact CG-CE 3.66Å
323D88Confident84.9Confident120 Ų12085.9 Ų85.964%0.64244%0.437SS*.THydrogen-bonded Turntrans-66.5-17.7-178.9-69.1-5.2000113Q319 M321Q319-D323 PolarHBondContact NE2-OD1 3.46Å; Q319-D323 WeakPolarHBondContact O-CB 3.33Å; Q319-D323 VanDerWaalsContact O-CG 3.22Å; Q319-D323 PolarHBondContact O-N 3.33Å; M321-D323 PolarHBondContact O-N 3.07Å
324K88.4Confident84.7Confident137 Ų13785.4 Ų85.460%0.59643%0.433SS*.THydrogen-bonded Turntrans-98.1-4.9176.2-65.8166.7-160145.50113.1E320 M321 M322E320-K324 WeakPolarHBondContact O-CD 3.46Å; E320-K324 WeakPolarHBondContact O-CE 3.34Å; E320-K324 WeakPolarHBondContact O-CG 3.14Å; E320-K324 PolarHBondContact O-NZ 2.93Å; E320-K324 VanDerWaalsContact O-NZ 3.08Å; E320-K324 IonicContact OE2-NZ 2.64Å; E320-K324 PolarHBondContact OE2-NZ 3.28Å; M321-K324 PolarHBondContact O-N 2.78Å; M322-K324 PolarHBondContact O-N 2.87Å
325A84.8Confident84.3Confident30 Ų3087.9 Ų87.925%0.24844%0.442CS..  trans-90121.6-174.900000112M321 M322 G327 A330 L331M321-A325 PolarHBondContact O-N 3.03Å; M322-A325 WeakPolarHBondContact O-CB 3.38Å; M322-A325 PolarHBondContact O-N 2.93Å; A325-G327 PolarHBondContact O-N 3.48Å; A325-A330 HydrophobicContact CB-CB 3.92Å; A325-L331 HydrophobicContact CB-CD1 3.96Å; A325-L331 HydrophobicContact CB-CG 4.31Å
326E73.8Confident84.2Confident208 Ų20890.9 Ų90.997%0.97245%0.454SS*.SBendtrans-79.356.3179.9-64.5-167.6161.300113.3
327G68.4Low84.1Confident31 Ų3186.5 Ų86.532%0.3243%0.434SS..SBendtrans168.1150.5169.800000115.2A325 E329 A330A325-G327 PolarHBondContact O-N 3.48Å; G327-E329 VanDerWaalsContact C-N 3.3Å; G327-E329 PolarHBondContact O-N 2.92Å; G327-A330 WeakPolarHBondContact O-CB 3.42Å; G327-A330 PolarHBondContact O-N 3.4Å
328P65.5Low84.1Confident112 Ų11282.8 Ų82.873%0.72742%0.418SS*.THydrogen-bonded Turntrans-73.7-20-179.430.9-35.9000114.1R335P328-R335 PolarHBondContact O-NH2 3.09Å
329E65.5Low84.2Confident187 Ų18788.2 Ų88.287%0.87444%0.444SS*.THydrogen-bonded Turntrans-93.4-2.3175.2-63.6178.4163.700112.5G327G327-E329 VanDerWaalsContact C-N 3.3Å; G327-E329 PolarHBondContact O-N 2.92Å
330A65.8Low84.3Confident34 Ų3488.8 Ų88.828%0.28145%0.446SS..SBendtrans-74.8142.4170.900000109.6A325 G327A325-A330 HydrophobicContact CB-CB 3.92Å; G327-A330 WeakPolarHBondContact O-CB 3.42Å; G327-A330 PolarHBondContact O-N 3.4Å
331L80.3Confident84.5Confident55 Ų5583.6 Ų83.629%0.28842%0.422SS..  trans6149.9171.1-47.8-175.9000113.9M321 M322 A325 D333 E334 R335M321-L331 HydrophobicContact CB-CD1 4.12Å; M322-L331 HydrophobicContact CE-CB 4.32Å; M322-L331 HydrophobicContact SD-CB 3.65Å; M322-L331 HydrophobicContact SD-CD1 4.08Å; M322-L331 HydrophobicContact SD-CG 4.45Å; A325-L331 HydrophobicContact CB-CD1 3.96Å; A325-L331 HydrophobicContact CB-CG 4.31Å; L331-D333 VanDerWaalsContact C-N 3.31Å; L331-D333 PolarHBondContact O-N 3.13Å; L331-E334 WeakPolarHBondContact CA-OE2 3.49Å; L331-E334 HydrophobicContact CB-CB 4.04Å; L331-E334 HydrophobicContact CB-CG 4.27Å; L331-E334 VanDerWaalsContact CB-OE2 3.31Å; L331-E334 WeakPolarHBondContact CB-OE2 3.28Å; L331-R335 PolarHBondContact O-N 2.7Å
332E86.6Confident84.8Confident122 Ų12285.1 Ų85.157%0.5743%0.427SS*.Hα-helixtrans-63.2-35178.4-161.2-164.4121.700112.5R335 K336E332-R335 WeakPolarHBondContact O-CB 3.43Å; E332-R335 PolarHBondContact O-N 3.22Å; E332-K336 WeakPolarHBondContact O-CG 3.36Å; E332-K336 PolarHBondContact O-N 3.06Å; E332-K336 VanDerWaalsContact O-N 3.12Å; E332-K336 WeakPolarHBondContact OE1-CE 3.48Å; E332-K336 IonicContact OE1-NZ 2.69Å; E332-K336 PolarHBondContact OE1-NZ 2.93Å
333D87.9Confident85.3Confident110 Ų11086.2 Ų86.259%0.58844%0.441SS*.Hα-helixtrans-80.2-35.6-178-66-30.2000111.8L331 R335 K336 E337L331-D333 VanDerWaalsContact C-N 3.31Å; L331-D333 PolarHBondContact O-N 3.13Å; D333-R335 VanDerWaalsContact C-N 3.28Å; D333-R335 PolarHBondContact O-N 3.07Å; D333-K336 WeakPolarHBondContact O-CB 3.48Å; D333-K336 PolarHBondContact O-N 3.44Å; D333-K336 IonicContact OD1-NZ 2.61Å; D333-K336 PolarHBondContact OD1-NZ 3.33Å; D333-E337 PolarHBondContact O-N 3.48Å
334E90.5Very high85.6Confident58 Ų5883 Ų8327%0.27142%0.423SS..Hα-helixtrans-64.5-32.3168.8-65.283.3167.200112L318 M321 L331 M338L318-E334 HydrophobicContact CD2-CB 3.76Å; L318-E334 HydrophobicContact CD2-CG 4.01Å; M321-E334 HydrophobicContact CE-CG 4.48Å; L331-E334 WeakPolarHBondContact CA-OE2 3.49Å; L331-E334 HydrophobicContact CB-CB 4.04Å; L331-E334 HydrophobicContact CB-CG 4.27Å; L331-E334 VanDerWaalsContact CB-OE2 3.31Å; L331-E334 WeakPolarHBondContact CB-OE2 3.28Å; E334-M338 VanDerWaalsContact O-CB 3.29Å; E334-M338 WeakPolarHBondContact O-CB 3.25Å; E334-M338 PolarHBondContact O-N 3.02Å
335R89.8Confident86Confident108 Ų10877.4 Ų77.441%0.40840%0.4SS..Hα-helixtrans-64.7-45.7170.2-178.1-167.6-66.9-106.54.4111.2P328 L331 E332 D333 M338 E339P328-R335 PolarHBondContact O-NH2 3.09Å; L331-R335 PolarHBondContact O-N 2.7Å; E332-R335 WeakPolarHBondContact O-CB 3.43Å; E332-R335 PolarHBondContact O-N 3.22Å; D333-R335 VanDerWaalsContact C-N 3.28Å; D333-R335 PolarHBondContact O-N 3.07Å; R335-M338 WeakPolarHBondContact O-CB 3.34Å; R335-M338 PolarHBondContact O-N 2.94Å; R335-E339 WeakPolarHBondContact CG-OE1 3.21Å; R335-E339 WeakPolarHBondContact O-CG 3.39Å; R335-E339 PolarHBondContact O-N 3.36Å
336K92.4Very high86.6Confident84 Ų8479.7 Ų79.737%0.36541%0.412SS..Hα-helixtrans-60.4-45.9175.4-66.9163.3-160.1156.20111E332 D333 M338 E339 E340E332-K336 WeakPolarHBondContact O-CG 3.36Å; E332-K336 PolarHBondContact O-N 3.06Å; E332-K336 VanDerWaalsContact O-N 3.12Å; E332-K336 WeakPolarHBondContact OE1-CE 3.48Å; E332-K336 IonicContact OE1-NZ 2.69Å; E332-K336 PolarHBondContact OE1-NZ 2.93Å; D333-K336 WeakPolarHBondContact O-CB 3.48Å; D333-K336 PolarHBondContact O-N 3.44Å; D333-K336 IonicContact OD1-NZ 2.61Å; D333-K336 PolarHBondContact OD1-NZ 3.33Å; K336-M338 VanDerWaalsContact C-N 3.28Å; K336-M338 PolarHBondContact O-N 3.32Å; K336-E339 PolarHBondContact O-N 3.21Å; K336-E339 VanDerWaalsContact O-N 3.11Å; K336-E340 WeakPolarHBondContact O-CG 3.48Å; K336-E340 PolarHBondContact O-N 3.31Å
337E93.3Very high87.7Confident35 Ų3574.8 Ų74.816%0.16439%0.389CS..Hα-helixtrans-57.3-43.4174.8-165.2-16716300111R314 L318 D333 E339 E340 L341R314-E337 IonicContact CZ-OE1 3.44Å; R314-E337 IonicContact CZ-OE2 3.62Å; R314-E337 IonicContact NE-OE1 3.61Å; R314-E337 PolarHBondContact NE-OE1 2.91Å; R314-E337 IonicContact NE-OE2 3.94Å; R314-E337 IonicContact NH2-OE1 2.76Å; R314-E337 PolarHBondContact NH2-OE1 2.79Å; R314-E337 IonicContact NH2-OE2 2.74Å; R314-E337 PolarHBondContact NH2-OE2 2.89Å; L318-E337 HydrophobicContact CD1-CB 4.31Å; L318-E337 HydrophobicContact CD1-CG 4.11Å; D333-E337 PolarHBondContact O-N 3.48Å; E337-E339 VanDerWaalsContact C-N 3.35Å; E337-E339 PolarHBondContact O-N 2.97Å; E337-E340 PolarHBondContact O-N 2.84Å; E337-L341 HydrophobicContact CG-CD1 3.92Å; E337-L341 HydrophobicContact CG-CG 4.34Å; E337-L341 VanDerWaalsContact O-CB 3.28Å; E337-L341 WeakPolarHBondContact O-CB 3.43Å; E337-L341 WeakPolarHBondContact O-CG 3.39Å; E337-L341 PolarHBondContact O-N 3.1Å
338M92.7Very high89Confident13 Ų1373.8 Ų73.86%0.06438%0.376CS..Hα-helixtrans-66.1-33.9177.4-168-165.3-68.400113L315 L318 Q319 M322 E334 R335 K336 K342L315-M338 HydrophobicContact CD2-CB 4.27Å; L315-M338 HydrophobicContact CD2-CG 3.57Å; L318-M338 HydrophobicContact CB-CE 3.81Å; L318-M338 HydrophobicContact CD1-CB 4.3Å; Q319-M338 HydrophobicContact CB-CE 4.22Å; M322-M338 HydrophobicContact CG-CE 3.66Å; E334-M338 VanDerWaalsContact O-CB 3.29Å; E334-M338 WeakPolarHBondContact O-CB 3.25Å; E334-M338 PolarHBondContact O-N 3.02Å; R335-M338 WeakPolarHBondContact O-CB 3.34Å; R335-M338 PolarHBondContact O-N 2.94Å; K336-M338 VanDerWaalsContact C-N 3.28Å; K336-M338 PolarHBondContact O-N 3.32Å; M338-K342 HydrophobicContact CG-CD 4.28Å; M338-K342 WeakPolarHBondContact O-CB 3.5Å; M338-K342 VanDerWaalsContact O-CD 3.3Å; M338-K342 WeakPolarHBondContact O-CD 3.45Å; M338-K342 WeakPolarHBondContact O-CG 3.37Å; M338-K342 PolarHBondContact O-N 2.82Å; M338-K342 PolarHBondContact SD-NZ 3.15Å
339E94.4Very high90.5Very high114 Ų11472.1 Ų72.153%0.53336%0.359SS..Hα-helixtrans-74.5-43176.4-73.3173.5-163.500111.3R335 K336 E337 K342 A343R335-E339 WeakPolarHBondContact CG-OE1 3.21Å; R335-E339 WeakPolarHBondContact O-CG 3.39Å; R335-E339 PolarHBondContact O-N 3.36Å; K336-E339 PolarHBondContact O-N 3.21Å; K336-E339 VanDerWaalsContact O-N 3.11Å; E337-E339 VanDerWaalsContact C-N 3.35Å; E337-E339 PolarHBondContact O-N 2.97Å; E339-K342 PolarHBondContact O-N 3.21Å; E339-A343 PolarHBondContact O-N 2.97Å; E339-A343 VanDerWaalsContact O-N 3.09Å
340E95.3Very high92.1Very high90 Ų9069.2 Ų69.242%0.42135%0.345SS..Hα-helixtrans-57.4-52170.8-74.5178.8-144.800112R278 K336 E337 K342 A343 L344R278-E340 IonicContact CZ-OE2 2.84Å; R278-E340 IonicContact NH1-OE2 3.45Å; R278-E340 PolarHBondContact NH1-OE2 2.9Å; R278-E340 IonicContact NH2-OE2 3.6Å; R278-E340 PolarHBondContact NH2-OE2 2.87Å; K336-E340 WeakPolarHBondContact O-CG 3.48Å; K336-E340 PolarHBondContact O-N 3.31Å; E337-E340 PolarHBondContact O-N 2.84Å; E340-K342 PolarHBondContact O-N 2.88Å; E340-A343 WeakPolarHBondContact O-CB 3.4Å; E340-A343 PolarHBondContact O-N 3.09Å; E340-L344 WeakPolarHBondContact O-CG 3.42Å; E340-L344 PolarHBondContact O-N 3.07Å
341L95.4Very high93.5Very high3 Ų371.3 Ų71.32%0.01635%0.348CS..Hα-helixtrans-65.8-24-178.6-71.2175.9000112.9I311 R314 L315 L318 E337 L344I311-L341 HydrophobicContact CG1-CD2 4.27Å; I311-L341 HydrophobicContact CG2-CB 4.07Å; I311-L341 HydrophobicContact CG2-CD2 4.1Å; R314-L341 HydrophobicContact CB-CD1 4.18Å; R314-L341 HydrophobicContact CG-CD1 3.53Å; L315-L341 HydrophobicContact CD1-CB 4.36Å; L315-L341 HydrophobicContact CD2-CB 3.71Å; L315-L341 HydrophobicContact CD2-CD1 4.41Å; L315-L341 HydrophobicContact CG-CB 4.01Å; L318-L341 HydrophobicContact CD1-CD1 3.84Å; E337-L341 HydrophobicContact CG-CD1 3.92Å; E337-L341 HydrophobicContact CG-CG 4.34Å; E337-L341 VanDerWaalsContact O-CB 3.28Å; E337-L341 WeakPolarHBondContact O-CB 3.43Å; E337-L341 WeakPolarHBondContact O-CG 3.39Å; E337-L341 PolarHBondContact O-N 3.1Å; L341-L344 HydrophobicContact CD2-CD1 4.46Å
342K96Very high94.4Very high104 Ų10469.6 Ų69.645%0.45234%0.34SS..Hα-helixtrans-77.9-30.8171.5-78.5168-175.9167.80112.8L315 M338 E339 E340 P346L315-K342 HydrophobicContact CD1-CG 4.18Å; L315-K342 HydrophobicContact CD2-CG 4Å; M338-K342 HydrophobicContact CG-CD 4.28Å; M338-K342 WeakPolarHBondContact O-CB 3.5Å; M338-K342 VanDerWaalsContact O-CD 3.3Å; M338-K342 WeakPolarHBondContact O-CD 3.45Å; M338-K342 WeakPolarHBondContact O-CG 3.37Å; M338-K342 PolarHBondContact O-N 2.82Å; M338-K342 PolarHBondContact SD-NZ 3.15Å; E339-K342 PolarHBondContact O-N 3.21Å; E340-K342 PolarHBondContact O-N 2.88Å; K342-P346 VanDerWaalsContact O-CD 3.26Å; K342-P346 WeakPolarHBondContact O-CD 3.44Å
343A96Very high94.9Very high56 Ų5670.1 Ų70.146%0.46334%0.342SS..Hα-helixtrans-72.9-39.9174.400000112.2E339 E340 L345 P346E339-A343 PolarHBondContact O-N 2.97Å; E339-A343 VanDerWaalsContact O-N 3.09Å; E340-A343 WeakPolarHBondContact O-CB 3.4Å; E340-A343 PolarHBondContact O-N 3.09Å; A343-L345 VanDerWaalsContact C-N 3.32Å; A343-L345 PolarHBondContact O-N 3.3Å; A343-P346 WeakPolarHBondContact O-CD 3.41Å
344L95.3Very high95.3Very high52 Ų5269.4 Ų69.427%0.27234%0.339SS..Hα-helixtrans-68.5-23.7179.2-68.6169.5000114.2E340 L341 E347 I348E340-L344 WeakPolarHBondContact O-CG 3.42Å; E340-L344 PolarHBondContact O-N 3.07Å; L341-L344 HydrophobicContact CD2-CD1 4.46Å; L344-E347 PolarHBondContact O-N 3.17Å; L344-I348 HydrophobicContact CB-CD1 4.48Å; L344-I348 VanDerWaalsContact O-CG1 3.31Å; L344-I348 WeakPolarHBondContact O-CG1 3.46Å; L344-I348 PolarHBondContact O-N 3.17Å; L344-I348 VanDerWaalsContact O-N 3.09Å
345L96.1Very high95.6Very high20 Ų2066.7 Ų66.711%0.10533%0.326CS..Hα-helixtrans-62.7-50.1-178.1-87.9175.3000113.1I308 I311 K312 L315 A343 E347 I348 Q349I308-L345 HydrophobicContact CB-CD2 4.33Å; I308-L345 HydrophobicContact CG1-CD2 4.21Å; I308-L345 HydrophobicContact CG2-CD2 3.97Å; I311-L345 HydrophobicContact CB-CD2 4.23Å; I311-L345 HydrophobicContact CG2-CD1 4.16Å; I311-L345 HydrophobicContact CG2-CD2 3.87Å; I311-L345 HydrophobicContact CG2-CG 3.77Å; K312-L345 HydrophobicContact CG-CD1 4.37Å; L315-L345 HydrophobicContact CD1-CD1 3.61Å; A343-L345 VanDerWaalsContact C-N 3.32Å; A343-L345 PolarHBondContact O-N 3.3Å; L345-E347 PolarHBondContact O-N 2.89Å; L345-I348 PolarHBondContact O-N 3.26Å; L345-Q349 WeakPolarHBondContact O-CB 3.5Å; L345-Q349 VanDerWaalsContact O-CG 3.29Å; L345-Q349 WeakPolarHBondContact O-CG 3.27Å; L345-Q349 PolarHBondContact O-N 3.49Å
346P97.3Very high95.9Very high77 Ų7763.9 Ų63.950%0.532%0.321SS..Hα-helixtrans-50.2-48.7169.1-31.435000114.3K342 A343 I348 Q349 E350K342-P346 VanDerWaalsContact O-CD 3.26Å; K342-P346 WeakPolarHBondContact O-CD 3.44Å; A343-P346 WeakPolarHBondContact O-CD 3.41Å; P346-I348 VanDerWaalsContact C-N 3.32Å; P346-I348 PolarHBondContact O-N 3.37Å; P346-Q349 WeakPolarHBondContact O-CA 3.42Å; P346-Q349 WeakPolarHBondContact O-CB 3.11Å; P346-Q349 PolarHBondContact O-N 3.32Å; P346-E350 PolarHBondContact O-N 2.91Å
347E96.3Very high96.1Very high105 Ų10566.1 Ų66.149%0.49133%0.333SS..Hα-helixtrans-60.5-39.6-178.3-60.4172.3-157.300112.2L344 L345 K351L344-E347 PolarHBondContact O-N 3.17Å; L345-E347 PolarHBondContact O-N 2.89Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.41Å; E347-K351 PolarHBondContact O-N 3.46Å
348I97Very high96.1Very high10 Ų1065 Ų655%0.05133%0.33CS..Hα-helixtrans-76.9-27.7177.6-57.1164.7000111.1Y285 L304 I308 I311 L344 L345 P346 V352Y285-I348 HydrophobicContact CD2-CD1 4.49Å; Y285-I348 HydrophobicContact CD2-CG1 3.9Å; Y285-I348 HydrophobicContact CD2-CG2 4.24Å; Y285-I348 HydrophobicContact CE2-CG1 4.19Å; L304-I348 HydrophobicContact CB-CG2 4.38Å; L304-I348 HydrophobicContact CD2-CG2 4.15Å; I308-I348 HydrophobicContact CD1-CG2 3.94Å; I308-I348 HydrophobicContact CG1-CB 4.17Å; I308-I348 HydrophobicContact CG1-CG2 3.63Å; I311-I348 HydrophobicContact CD1-CD1 3.36Å; L344-I348 HydrophobicContact CB-CD1 4.48Å; L344-I348 VanDerWaalsContact O-CG1 3.31Å; L344-I348 WeakPolarHBondContact O-CG1 3.46Å; L344-I348 PolarHBondContact O-N 3.17Å; L344-I348 VanDerWaalsContact O-N 3.09Å; L345-I348 PolarHBondContact O-N 3.26Å; P346-I348 VanDerWaalsContact C-N 3.32Å; P346-I348 PolarHBondContact O-N 3.37Å; I348-V352 WeakPolarHBondContact O-CG2 3.47Å; I348-V352 PolarHBondContact O-N 2.88Å
349Q97.6Very high96.2Very high78 Ų7868.7 Ų68.736%0.36435%0.349SS..Hα-helixtrans-70.9-40.2173-75.7178.1-124.400112.2I308 L345 P346 K351 V352 E353I308-Q349 HydrophobicContact CD1-CG 3.85Å; L345-Q349 WeakPolarHBondContact O-CB 3.5Å; L345-Q349 VanDerWaalsContact O-CG 3.29Å; L345-Q349 WeakPolarHBondContact O-CG 3.27Å; L345-Q349 PolarHBondContact O-N 3.49Å; P346-Q349 WeakPolarHBondContact O-CA 3.42Å; P346-Q349 WeakPolarHBondContact O-CB 3.11Å; P346-Q349 PolarHBondContact O-N 3.32Å; Q349-K351 VanDerWaalsContact C-N 3.32Å; Q349-K351 PolarHBondContact O-N 3.09Å; Q349-V352 WeakPolarHBondContact O-CA 3.24Å; Q349-V352 WeakPolarHBondContact O-CB 3.3Å; Q349-V352 PolarHBondContact O-N 3.42Å; Q349-E353 PolarHBondContact O-N 2.91Å
350E97.4Very high96.1Very high126 Ų12668.3 Ų68.359%0.58935%0.345SS*.Hα-helixtrans-54.3-48.6171.3-172.9170-158.200110.2P346 V352 E353 D354P346-E350 PolarHBondContact O-N 2.91Å; E350-V352 PolarHBondContact O-N 2.92Å; E350-E353 CarbonylContact O-C 3.49Å; E350-E353 WeakPolarHBondContact O-CA 3.4Å; E350-E353 WeakPolarHBondContact O-CB 3.36Å; E350-E353 PolarHBondContact O-N 3.32Å; E350-D354 PolarHBondContact O-N 2.83Å
351K97.1Very high96Very high77 Ų7767.1 Ų67.134%0.33535%0.347SS..Hα-helixtrans-62-26.3175.1-58.1-124174.1175.30114.5Y285 V289 L304 E347 Q349 A355Y285-K351 HydrophobicContact CE2-CD 4Å; Y285-K351 HydrophobicContact CE2-CG 4.36Å; Y285-K351 WeakPolarHBondContact OH-CE 3.41Å; Y285-K351 PolarHBondContact OH-NZ 3.24Å; V289-K351 HydrophobicContact CG2-CD 4.31Å; L304-K351 HydrophobicContact CD1-CB 3.91Å; L304-K351 WeakPolarHBondContact CD1-O 3.24Å; L304-K351 HydrophobicContact CD2-CB 4.33Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.41Å; E347-K351 PolarHBondContact O-N 3.46Å; Q349-K351 VanDerWaalsContact C-N 3.32Å; Q349-K351 PolarHBondContact O-N 3.09Å; K351-A355 WeakPolarHBondContact O-CB 3.23Å; K351-A355 PolarHBondContact O-N 3.18Å
352V97.9Very high95.6Very high20 Ų2070.4 Ų70.412%0.12137%0.37CS..Hα-helixtrans-74.8-37.9172169.80000110.5I301 L304 I308 I348 Q349 E350 T356I301-V352 HydrophobicContact CG2-CG1 4.4Å; L304-V352 HydrophobicContact CB-CG2 3.43Å; L304-V352 VanDerWaalsContact CB-CG2 3.43Å; L304-V352 HydrophobicContact CD1-CG2 3.9Å; L304-V352 HydrophobicContact CG-CG2 4.31Å; I308-V352 HydrophobicContact CD1-CG2 4.04Å; I348-V352 WeakPolarHBondContact O-CG2 3.47Å; I348-V352 PolarHBondContact O-N 2.88Å; Q349-V352 WeakPolarHBondContact O-CA 3.24Å; Q349-V352 WeakPolarHBondContact O-CB 3.3Å; Q349-V352 PolarHBondContact O-N 3.42Å; E350-V352 PolarHBondContact O-N 2.92Å; V352-T356 WeakPolarHBondContact O-CB 3.33Å; V352-T356 PolarHBondContact O-N 3.41Å; V352-T356 PolarHBondContact O-OG1 3.42Å
353E97.4Very high95.2Very high132 Ų13267.7 Ų67.762%0.61737%0.367SS*.Hα-helixtrans-68.5-44.6177.2-69.2177.9-156.300110.6Q349 E350 A355 T356 E357Q349-E353 PolarHBondContact O-N 2.91Å; E350-E353 CarbonylContact O-C 3.49Å; E350-E353 WeakPolarHBondContact O-CA 3.4Å; E350-E353 WeakPolarHBondContact O-CB 3.36Å; E350-E353 PolarHBondContact O-N 3.32Å; E353-A355 PolarHBondContact O-N 3.42Å; E353-T356 CarbonylContact O-C 3.59Å; E353-T356 WeakPolarHBondContact O-CA 3.4Å; E353-T356 WeakPolarHBondContact O-CB 3.49Å; E353-T356 PolarHBondContact O-N 2.93Å; E353-T356 VanDerWaalsContact O-N 3.08Å; E353-E357 PolarHBondContact O-N 3.45Å
354D96.5Very high94.9Very high96 Ų9670.9 Ų70.951%0.51337%0.372SS..Hα-helixtrans-51.8-54.4170.6-63.7-25.2000112E350 T356 E357 G358E350-D354 PolarHBondContact O-N 2.83Å; D354-T356 PolarHBondContact O-N 3.21Å; D354-E357 PolarHBondContact O-N 3.31Å; D354-E357 VanDerWaalsContact O-N 3.09Å; D354-G358 PolarHBondContact O-N 3.44Å
355A96.1Very high94.5Very high1 Ų171.6 Ų71.61%0.00839%0.385CS..Hα-helixtrans-65-31.4179.900000111.8Y297 A300 I301 K351 E353 E357 M359Y297-A355 WeakPolarHBondContact CB-O 3.11Å; Y297-A355 HydrophobicContact CD1-CB 4.28Å; A300-A355 HydrophobicContact CB-CB 4.3Å; I301-A355 HydrophobicContact CD1-CB 4.43Å; I301-A355 HydrophobicContact CG1-CB 3.78Å; K351-A355 WeakPolarHBondContact O-CB 3.23Å; K351-A355 PolarHBondContact O-N 3.18Å; E353-A355 PolarHBondContact O-N 3.42Å; A355-E357 VanDerWaalsContact C-N 3.35Å; A355-M359 WeakPolarHBondContact O-CB 3.36Å; A355-M359 PolarHBondContact O-N 3.14Å
356T96.8Very high93.8Very high49 Ų4973.8 Ų73.830%0.30141%0.407SS..Hα-helixtrans-73.5-26.4175-59.50000112I301 V352 E353 D354 K360I301-T356 WeakPolarHBondContact CD1-OG1 3.39Å; V352-T356 WeakPolarHBondContact O-CB 3.33Å; V352-T356 PolarHBondContact O-N 3.41Å; V352-T356 PolarHBondContact O-OG1 3.42Å; E353-T356 CarbonylContact O-C 3.59Å; E353-T356 WeakPolarHBondContact O-CA 3.4Å; E353-T356 WeakPolarHBondContact O-CB 3.49Å; E353-T356 PolarHBondContact O-N 2.93Å; E353-T356 VanDerWaalsContact O-N 3.08Å; D354-T356 PolarHBondContact O-N 3.21Å; T356-K360 WeakPolarHBondContact O-CD 3.35Å; T356-K360 VanDerWaalsContact O-CE 3.26Å; T356-K360 WeakPolarHBondContact O-CE 3.45Å; T356-K360 VanDerWaalsContact O-CG 3.3Å; T356-K360 WeakPolarHBondContact O-CG 3.48Å
357E95.8Very high92.8Very high130 Ų13076.1 Ų76.161%0.60741%0.411SS*.Hα-helixtrans-78.1-47171.6-171.9150.3165.200112.1E353 D354 A355 M359 K360 S361E353-E357 PolarHBondContact O-N 3.45Å; D354-E357 PolarHBondContact O-N 3.31Å; D354-E357 VanDerWaalsContact O-N 3.09Å; A355-E357 VanDerWaalsContact C-N 3.35Å; E357-M359 PolarHBondContact O-N 3.07Å; E357-K360 WeakPolarHBondContact O-CA 3.5Å; E357-K360 WeakPolarHBondContact O-CB 3.45Å; E357-K360 PolarHBondContact O-N 3.11Å; E357-S361 PolarHBondContact O-N 2.94Å; E357-S361 PolarHBondContact O-OG 2.8Å
358G94Very high91.6Very high11 Ų1176.8 Ų76.811%0.11342%0.418CS..Hα-helixtrans-55.6-35.6172.400000113.2Y297 D354 S361 S362Y297-G358 WeakPolarHBondContact CE2-O 3.45Å; D354-G358 PolarHBondContact O-N 3.44Å; G358-S361 PolarHBondContact O-OG 2.97Å; G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.37Å; G358-S362 VanDerWaalsContact O-N 3.13Å
359M93.9Very high89.9Confident92 Ų9278.8 Ų78.845%0.45344%0.441SS..Hα-helixtrans-65.7-34.3172.9-169.3173.8177.400113.4Y297 A298 I301 A355 E357 A363Y297-M359 HydrophobicContact CG-CB 4.35Å; A298-M359 HydrophobicContact CB-CE 4.23Å; A298-M359 HydrophobicContact CB-SD 4.33Å; I301-M359 HydrophobicContact CD1-SD 4.07Å; A355-M359 WeakPolarHBondContact O-CB 3.36Å; A355-M359 PolarHBondContact O-N 3.14Å; E357-M359 PolarHBondContact O-N 3.07Å; M359-A363 WeakPolarHBondContact O-CB 3.35Å; M359-A363 PolarHBondContact O-N 2.84Å
360K93.6Very high88Confident106 Ų10678.1 Ų78.146%0.46145%0.449SS..Hα-helixtrans-74.6-51.4178.1-65.7161.5-158.8148.30110.9T356 E357 S362 A363 E364T356-K360 WeakPolarHBondContact O-CD 3.35Å; T356-K360 VanDerWaalsContact O-CE 3.26Å; T356-K360 WeakPolarHBondContact O-CE 3.45Å; T356-K360 VanDerWaalsContact O-CG 3.3Å; T356-K360 WeakPolarHBondContact O-CG 3.48Å; E357-K360 WeakPolarHBondContact O-CA 3.5Å; E357-K360 WeakPolarHBondContact O-CB 3.45Å; E357-K360 PolarHBondContact O-N 3.11Å; K360-S362 VanDerWaalsContact C-N 3.28Å; K360-S362 PolarHBondContact O-N 3.27Å; K360-A363 CarbonylContact O-C 3.54Å; K360-A363 WeakPolarHBondContact O-CA 3.35Å; K360-A363 WeakPolarHBondContact O-CB 3.41Å; K360-A363 PolarHBondContact O-N 3.02Å; K360-E364 WeakPolarHBondContact O-CG 3.36Å; K360-E364 PolarHBondContact O-N 2.8Å
361S92.1Very high85.8Confident65 Ų6576.2 Ų76.246%0.45545%0.449SS..Hα-helixtrans-61.6-38.5-177.458.80000111.7E357 G358 A363 E364 A365E357-S361 PolarHBondContact O-N 2.94Å; E357-S361 PolarHBondContact O-OG 2.8Å; G358-S361 PolarHBondContact O-OG 2.97Å; S361-A363 PolarHBondContact O-N 3.38Å; S361-E364 PolarHBondContact O-N 2.92Å; S361-A365 WeakPolarHBondContact O-CB 3.44Å; S361-A365 PolarHBondContact O-N 3.08Å
362S88.1Confident83.8Confident71 Ų7177.4 Ų77.450%0.49747%0.467SS..Hα-helixtrans-60-41.2170.4-176.10000112.9G358 K360 A366G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.37Å; G358-S362 VanDerWaalsContact O-N 3.13Å; K360-S362 VanDerWaalsContact C-N 3.28Å; K360-S362 PolarHBondContact O-N 3.27Å; S362-A366 PolarHBondContact O-N 3.02Å
363A88Confident81.8Confident47 Ų4781.1 Ų81.139%0.38849%0.494SS..Hα-helixtrans-75.3-27.717900000113.9M359 K360 S361 Q367M359-A363 WeakPolarHBondContact O-CB 3.35Å; M359-A363 PolarHBondContact O-N 2.84Å; K360-A363 CarbonylContact O-C 3.54Å; K360-A363 WeakPolarHBondContact O-CA 3.35Å; K360-A363 WeakPolarHBondContact O-CB 3.41Å; K360-A363 PolarHBondContact O-N 3.02Å; S361-A363 PolarHBondContact O-N 3.38Å; A363-Q367 WeakPolarHBondContact O-CG 3.35Å; A363-Q367 PolarHBondContact O-NE2 3.07Å
364E89.7Confident79.4Confident124 Ų12479.7 Ų79.758%0.57950%0.499SS*.Hα-helixtrans-76.3-46.7175.5-72.3173.2164.900110.8K360 S361 A366 Q367 D368K360-E364 WeakPolarHBondContact O-CG 3.36Å; K360-E364 PolarHBondContact O-N 2.8Å; S361-E364 PolarHBondContact O-N 2.92Å; E364-A366 PolarHBondContact O-N 3.04Å; E364-Q367 WeakPolarHBondContact O-CB 3.46Å; E364-Q367 PolarHBondContact O-N 3.23Å; E364-D368 PolarHBondContact O-N 3.11Å; E364-D368 VanDerWaalsContact O-N 3.15Å
365A86.1Confident77Confident66 Ų6679.4 Ų79.455%0.54551%0.51SS..Hα-helixtrans-56.1-35.817400000112.9S361 Q367 G369S361-A365 WeakPolarHBondContact O-CB 3.44Å; S361-A365 PolarHBondContact O-N 3.08Å; A365-Q367 VanDerWaalsContact C-N 3.33Å; A365-Q367 PolarHBondContact O-N 3.06Å; A365-G369 PolarHBondContact O-N 3.19Å; A365-G369 VanDerWaalsContact O-N 3.1Å
366A82Confident74.8Confident67 Ų6786.7 Ų86.755%0.55455%0.548SS*.Hα-helixtrans-67.3-28.2174.900000113.9S362 E364 A370S362-A366 PolarHBondContact O-N 3.02Å; E364-A366 PolarHBondContact O-N 3.04Å; A366-A370 PolarHBondContact O-N 3.47Å
367Q75Confident72.5Confident126 Ų12690.3 Ų90.359%0.58957%0.572SS**Hα-helixtrans-81.6-39.1179.2-73.717173.900112.3A363 E364 A365 A370 S371A363-Q367 WeakPolarHBondContact O-CG 3.35Å; A363-Q367 PolarHBondContact O-NE2 3.07Å; E364-Q367 WeakPolarHBondContact O-CB 3.46Å; E364-Q367 PolarHBondContact O-N 3.23Å; A365-Q367 VanDerWaalsContact C-N 3.33Å; A365-Q367 PolarHBondContact O-N 3.06Å; Q367-A370 PolarHBondContact O-N 2.89Å; Q367-S371 PolarHBondContact O-N 3.3Å; Q367-S371 VanDerWaalsContact O-N 3.13Å; Q367-S371 PolarHBondContact O-OG 3.1Å
368D72.4Confident69.7Low118 Ų11890.6 Ų90.663%0.63158%0.578SS**Hα-helixtrans-69.1-41.7175.5-75.6-22.7000111.5E364 A370 S371 S372E364-D368 PolarHBondContact O-N 3.11Å; E364-D368 VanDerWaalsContact O-N 3.15Å; D368-A370 VanDerWaalsContact C-N 3.31Å; D368-A370 PolarHBondContact O-N 3.06Å; D368-S371 WeakPolarHBondContact O-CB 3.35Å; D368-S371 PolarHBondContact O-N 3.17Å; D368-S371 VanDerWaalsContact O-N 3.08Å; D368-S372 PolarHBondContact O-N 3.13Å
369G60Low67.1Low52 Ų5295.3 Ų95.354%0.53661%0.609SS.*Hα-helixtrans-59.2-39174.200000113.4A365A365-G369 PolarHBondContact O-N 3.19Å; A365-G369 VanDerWaalsContact O-N 3.1Å
370A57.7Low64.5Low65 Ų6596.1 Ų96.154%0.53762%0.619SS.*Hα-helixtrans-66.9-36.3174.400000112.5A366 Q367 D368 S372 S373A366-A370 PolarHBondContact O-N 3.47Å; Q367-A370 PolarHBondContact O-N 2.89Å; D368-A370 VanDerWaalsContact C-N 3.31Å; D368-A370 PolarHBondContact O-N 3.06Å; A370-S372 PolarHBondContact O-N 3.48Å; A370-S373 PolarHBondContact O-N 2.59Å; A370-S373 VanDerWaalsContact O-N 3.17Å
371S52.2Low61.8Low85 Ų8597.8 Ų97.859%0.59464%0.638SS**Hα-helixtrans-65.9-33.8-176.2-63.40000113.1Q367 D368 S373Q367-S371 PolarHBondContact O-N 3.3Å; Q367-S371 VanDerWaalsContact O-N 3.13Å; Q367-S371 PolarHBondContact O-OG 3.1Å; D368-S371 WeakPolarHBondContact O-CB 3.35Å; D368-S371 PolarHBondContact O-N 3.17Å; D368-S371 VanDerWaalsContact O-N 3.08Å; S371-S373 VanDerWaalsContact C-N 3.29Å; S371-S373 PolarHBondContact O-N 2.59Å
372S55.1Low59.5Low102 Ų10299.8 Ų99.871%0.71365%0.652SS**Hα-helixtrans-70.2-19.2175-65.70000114.4D368 A370D368-S372 PolarHBondContact O-N 3.13Å; A370-S372 PolarHBondContact O-N 3.48Å
373S55.2Low58.4Low98 Ų98102.5 Ų102.569%0.68567%0.668SS**THydrogen-bonded Turntrans-82.4-8.6-177.1-172.40000114.6A370 S371 A375A370-S373 PolarHBondContact O-N 2.59Å; A370-S373 VanDerWaalsContact O-N 3.17Å; S371-S373 VanDerWaalsContact C-N 3.29Å; S371-S373 PolarHBondContact O-N 2.59Å; S373-A375 VanDerWaalsContact C-N 3.33Å; S373-A375 PolarHBondContact O-N 2.79Å
374S47.9Very low55.8Low103 Ų103105 Ų10572%0.7269%0.689SS**THydrogen-bonded Turntrans-87.910.4-171.5-166.90000114.9L376S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 2.93Å; S374-L376 VanDerWaalsContact O-N 3.08Å
375A45Very low53.1Low89 Ų89106.6 Ų106.674%0.73670%0.701SS**  trans-85.146-174.300000114.4S373S373-A375 VanDerWaalsContact C-N 3.33Å; S373-A375 PolarHBondContact O-N 2.79Å
376L50.2Low50.6Low155 Ų155107.6 Ų107.681%0.81270%0.704SS**  trans-95114.8169.4-61.9179.5000109.4S374 D378S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 2.93Å; S374-L376 VanDerWaalsContact O-N 3.08Å; L376-D378 PolarHBondContact O-N 3.35Å
377P48.7Very low48.4Very low125 Ų125112.1 Ų112.181%0.81272%0.718SS**  trans-75.1116.4-17628.4-33.4000112.1
378D37.3Very low46.4Very low136 Ų136111.8 Ų111.873%0.72773%0.73SS**  trans-60.4135.1172.1178.235.8000111.9L376 T380L376-D378 PolarHBondContact O-N 3.35Å; D378-T380 WeakPolarHBondContact OD2-CG2 3.3Å
379S38.1Very low44.9Very low109 Ų109117.3 Ų117.376%0.76274%0.742SS**  trans-106.587.8179.1-162.10000109.9V381S379-V381 PolarHBondContact O-N 2.8Å
380T40Very low44.4Very low109 Ų109120 Ų12067%0.66975%0.75SS**  trans-67.4121.2-172.1500000113.6D378D378-T380 WeakPolarHBondContact OD2-CG2 3.3Å
381V37.8Very low43.1Very low142 Ų142120.6 Ų120.686%0.86176%0.755SS**  trans-128129.6156.7-71.70000110.5S379S379-V381 PolarHBondContact O-N 2.8Å
382S44Very low42.1Very low106 Ų106123.5 Ų123.574%0.74176%0.763SS**  trans-118.4-178.6-168.7-52.40000111
383P64.2Low40.9Very low128 Ų128126.7 Ų126.783%0.83177%0.767SS**  -130.2161.7-60.436.8-23.2000112.3
384A33.6Very low39.8Very low101 Ų101127 Ų12784%0.83577%0.769SS**  trans-152.9107.2170.800000115.6
385D33Very low39Very low156 Ų156128.3 Ų128.383%0.83477%0.773SS**  trans49.3150.2137.9-125.9-56.5000125.4
386S32.8Very low38.3Very low88 Ų88131 Ų13162%0.61578%0.775SS**  trans70.296.5148.2-75.40000123.2
387L36Very low37.3Very low161 Ų161128 Ų12884%0.84377%0.767SS**  43.5113.3121.6-60171.2000120.2
388S33.3Very low36.4Very low120 Ų120128.1 Ų128.184%0.83977%0.765SS**  165.1151.3113.1-74.60000115.3
389R40.6Very low36.1Very low233 Ų233126.1 Ų126.188%0.87976%0.762SS**  trans-96.6166.7152.2-64.5177.471.4-150.85.3107.3
390P50.5Low35.7Very low109 Ų109128.1 Ų128.171%0.70876%0.76SS**  cis-150.1-174.12243.6-22.3000117.7
391A29.7Very low35.5Very low78 Ų78131.1 Ų131.165%0.64577%0.766SS**  trans67.4125.8134.200000124.1
392L31.5Very low36Very low145 Ų145129.1 Ų129.176%0.75976%0.756SS**  trans81.1135.7130.6-70.6169.4000122.3
393Q30.4Very low35.7Very low170 Ų170129.4 Ų129.479%0.79476%0.755SS**  trans64.1129.5146.9-69.9167-31.900118.4
394S31.2Very low34.3Very low104 Ų104129.2 Ų129.273%0.72775%0.752SS**  cis101.810629.3-177.70000113.5
395T31.7Very low34.8Very low131 Ų131131.1 Ų131.180%0.80475%0.752SS**  trans-145125.1151.1480000105.5
396N30.1Very low35.2Very low144 Ų144129.3 Ų129.377%0.7775%0.749SS**  51.8128.772.5-82.917.1000113.3
397S29.9Very low35.5Very low93 Ų93132 Ų13265%0.6576%0.762SS**  cis-156.1-177.4-7.5-69.40000106.7
398T28.9Very low36.1Very low127 Ų127129.4 Ų129.478%0.77976%0.757SS**  cis-16217031.540.70000111.3
399S30.7Very low36.6Very low94 Ų94129.4 Ų129.466%0.65775%0.747SS**  trans8.4153.1148.6-66.90000122.4
400E30.5Very low37.2Very low152 Ų152123.6 Ų123.671%0.7173%0.733SS**  cis175.3147-21.9-113.5157.8162.400108.7
401H35.2Very low37Very low172 Ų172122.8 Ų122.880%0.79673%0.729SS**  trans68.6160.9156.9-74.8-59000121
402P49.1Very low38Very low100 Ų100126.3 Ų126.365%0.64973%0.732SS**  trans-131.6175.8-143.345.1-31.5000116.7
403P37.4Very low38.7Very low112 Ų112125.7 Ų125.773%0.72773%0.729SS**  trans-101.3136.3148.135.3-26.1000110.5
404T35.2Very low39.3Very low124 Ų124122 Ų12276%0.76172%0.718SS**  6192.251.173.90000113.8
405V43.3Very low39.5Very low140 Ų140127.8 Ų127.885%0.84872%0.724SS**PPolyproline II helixtrans-80.5139.4167.1-70.30000110.8
406P42.1Very low39.8Very low119 Ų119131.3 Ų131.377%0.77373%0.728SS**PPolyproline II helixtrans-78.2155.9173.732.6-34.4000111.9
407V38.5Very low40.3Very low144 Ų144134 Ų13487%0.87373%0.733SS**PPolyproline II helixtrans-78.4132.7175178.70000110
408S49.5Very low40.8Very low107 Ų107140.8 Ų140.875%0.74874%0.744SS**PPolyproline II helixtrans-68.9130.2176.2-61.30000112.3
409D42Very low41.2Very low119 Ų119144.3 Ų144.364%0.63675%0.749SS**PPolyproline II helixtrans-78.1120.3-179.8-172.7-10.2000112S411D409-S411 WeakPolarHBondContact OD1-CB 3Å; D409-S411 PolarHBondContact OD1-N 3.1Å; D409-S411 PolarHBondContact OD1-OG 3.32Å
410I54Low41.4Very low112 Ų112145.7 Ų145.757%0.57476%0.755SS**  trans-9513.2-178-14.8176.6000113.1H412 L413I410-H412 PolarHBondContact O-N 3.01Å; I410-L413 HydrophobicContact CG2-CB 4.42Å; I410-L413 HydrophobicContact CG2-CD2 4.45Å; I410-L413 PolarHBondContact O-N 2.87Å
411S46.5Very low41.3Very low91 Ų91147.9 Ų147.964%0.63677%0.766SS**G310 helixtrans-59.3-8.3-174.2-67.90000115.9D409D409-S411 WeakPolarHBondContact OD1-CB 3Å; D409-S411 PolarHBondContact OD1-N 3.1Å; D409-S411 PolarHBondContact OD1-OG 3.32Å
412H50.8Low41.3Very low152 Ų152145 Ų14570%0.70477%0.765SS**G310 helixtrans-79.7-13.3173.455.9-85.6000114.3I410I410-H412 PolarHBondContact O-N 3.01Å
413L46.8Very low40.9Very low132 Ų132145.5 Ų145.569%0.69177%0.768SS**G310 helixtrans-89.4-1.1-178.1-114.368.1000115.2I410I410-L413 HydrophobicContact CG2-CB 4.42Å; I410-L413 HydrophobicContact CG2-CD2 4.45Å; I410-L413 PolarHBondContact O-N 2.87Å
414V42.5Very low40.5Very low93 Ų93147.5 Ų147.556%0.56478%0.778SS**  trans-124.777.5-163.7-1720000114
415R35.2Very low40.4Very low225 Ų225150.9 Ų150.985%0.84978%0.782SS**  trans148.8130.5131.7-80.3155.9-171.6121.6-5.2114.4
416K37.5Very low39.8Very low205 Ų205153.2 Ų153.289%0.89178%0.784SS**  -151.774.4114.4-157.2165-173.3173.70113.4R418K416-R418 PolarHBondContact O-N 2.84Å
417K41.8Very low39.2Very low200 Ų200151.9 Ų151.987%0.8778%0.783SS**PPolyproline II helixtrans-62.9121.6170.4-177.9167.7-177.3167.90110.2
418R39.6Very low38.8Very low237 Ų237151.1 Ų151.189%0.89478%0.778SS**PPolyproline II helixtrans-68146.9167.9-71.1-177.5176174.1-1.5109.6K416K416-R418 PolarHBondContact O-N 2.84Å
419K36.6Very low38Very low200 Ų200151.7 Ų151.787%0.8778%0.777SS**PPolyproline II helixtrans-85.8153.7172.8-100.4-173.7171.4-179.20110.4
420P34.6Very low37.6Very low123 Ų123155.8 Ų155.880%0.79979%0.789SS**PPolyproline II helixtrans-82.8152.1175.634.8-34.3000111.8
421E28.5Very low36.5Very low198 Ų198160.8 Ų160.893%0.92580%0.801SS**  trans-105.6148165-74.2-165113.600111.6
422S35.6Very low35.8Very low113 Ų113163.9 Ų163.979%0.7982%0.816SS**  trans-172.4163168.664.90000108.8
423P40.4Very low34.9Very low109 Ų109163 Ų16371%0.70881%0.81SS**  cis-122.5161.4-26.637.5-25.4000112
424V30.5Very low34.2Very low154 Ų154165.6 Ų165.693%0.93382%0.818SS**  trans-106.8148.8169.9-176.20000110.2
425K31.5Very low33.7Very low195 Ų195165.7 Ų165.785%0.84882%0.816SS**  trans-103.9168.4-162.8-63.7176-177.6171.60114
426E31.7Very low33.6Very low189 Ų189161.6 Ų161.688%0.88381%0.811SS**  trans-65.7141.2178.7-54.4166.4105.200114.9
427A29.2Very low33.4Very low91 Ų91158 Ų15875%0.75280%0.801SS**  trans-155129.3144.900000107.5
428V29.8Very low32.9Very low128 Ų128156.1 Ų156.178%0.77680%0.796SS**  cis66.2106.644.4-175.40000108.9
429V32.1Very low32.7Very low120 Ų120153 Ų15373%0.72779%0.791SS**  cis-151.915643.9-1650000108.1
430K33.6Very low33.8Very low204 Ų204147.7 Ų147.789%0.88778%0.777SS**  -179.5159.280.1-147.2136.2-175.1179.40114
431R31.4Very low33.6Very low217 Ų217149.6 Ų149.682%0.81978%0.775SS**  trans-96156-172.1-58171.1177.2155.3-4.6113.7
432V31.6Very low34.1Very low157 Ų157145.7 Ų145.795%0.95277%0.765SS**  trans-113.2156139.2175.20000107.9
433K32Very low34.1Very low133 Ų133146.1 Ų146.158%0.57876%0.758SS**  trans-143.3131.6-161.6-175.7-169.5-166.3-117.10113.4D435K433-D435 WeakPolarHBondContact CE-OD1 2.91Å; K433-D435 IonicContact NZ-OD1 2.75Å; K433-D435 PolarHBondContact NZ-OD1 2.63Å; K433-D435 IonicContact NZ-OD2 2.63Å; K433-D435 PolarHBondContact NZ-OD2 2.75Å
434Q32.1Very low33.7Very low187 Ų187150.1 Ų150.187%0.87476%0.759SS**  trans-158.5125.8146.7-103163.1-13.200105.5
435D31.9Very low33.9Very low94 Ų94148.5 Ų148.550%0.50374%0.744SS.*  cis72.212842.7-65.410.3000113.1K433K433-D435 WeakPolarHBondContact CE-OD1 2.91Å; K433-D435 IonicContact NZ-OD1 2.75Å; K433-D435 PolarHBondContact NZ-OD1 2.63Å; K433-D435 IonicContact NZ-OD2 2.63Å; K433-D435 PolarHBondContact NZ-OD2 2.75Å
436D34.2Very low34.4Very low139 Ų139148 Ų14874%0.74375%0.745SS**  cis-162.4173.7-10.8-135.9-40.5000111.4
437D32Very low34.6Very low130 Ų130148 Ų14870%0.69574%0.741SS**  trans66159.2171.8-113.3-26.5000116.2
438Q31.5Very low34.9Very low161 Ų161147.5 Ų147.575%0.75274%0.737SS**  cis-148.4150.1-5.1-171152.198.400111.6
439E36.4Very low35.3Very low170 Ų170149.2 Ų149.279%0.79474%0.742SS**  trans-125171.4163.4-130.6-159.7-138.400107.9
440P58.8Low35.5Very low89 Ų89146.9 Ų146.958%0.57874%0.743SS**  cis-126.1-173.4-24.339.4-24.7000111.8
441H32Very low36Very low163 Ų163146.8 Ų146.876%0.75575%0.745SS**  -178.2124.3124.3-111.3-83.5000116.3
442T38.1Very low36.7Very low116 Ų116144.4 Ų144.471%0.71275%0.749SS**  trans20.2144.914163.60000124.4
443D34.6Very low37.3Very low122 Ų122144 Ų14465%0.65274%0.739SS**  trans105.5109.9131.8-129.923.4000120.2
444R33Very low37.9Very low193 Ų193145.1 Ų145.173%0.72875%0.746SS**  106107115.1-141174.9-162.2124.5-5.3122.7
445I35Very low38.7Very low121 Ų121142.7 Ų142.762%0.62174%0.743SS**  trans64.6124.9138.8-63.8174.9000120.3
446H41.2Very low39.5Very low185 Ų185142.4 Ų142.486%0.85675%0.754SS**  174108.7126.1-89.5-68.6000106.5
447K36.7Very low40.3Very low187 Ų187149.4 Ų149.481%0.81378%0.778SS**  cis87.1122.147.4-172179.6179.1-178.60114.3
448A35.8Very low40.7Very low81 Ų81150.4 Ų150.467%0.66978%0.782SS**  trans69.9141.717000000115.4
449N37.6Very low41.2Very low165 Ų165149.8 Ų149.888%0.88278%0.783SS**  cis-140.4164.5-5.6-83.7-29.2000107.2
450G35.8Very low41.4Very low71 Ų71148.7 Ų148.773%0.73278%0.783SS**  cis163.1137.3-2.700000109.3
451E43.5Very low40.4Very low201 Ų201152.2 Ų152.294%0.93980%0.795SS**  trans-72.2147.8178.1-66.1161.210100111.5
452N46.4Very low40.9Very low167 Ų167151.5 Ų151.589%0.89380%0.797SS**  trans-146.6142.1143.1-156.929.8000110.3
453M44.1Very low41.1Very low150 Ų150153.9 Ų153.974%0.73980%0.803SS**  trans-105.2174.7-171.5-168.1171.166.500111
454E45.5Very low41.6Very low155 Ų155156.1 Ų156.172%0.72481%0.814SS**  trans94.995.4145.1-143.5166.5139.900119.1
455V49.7Very low42.2Very low137 Ų137153.3 Ų153.383%0.8382%0.82SS**  36.4119.8124.9-173.10000119
456A48.4Very low42.9Very low88 Ų88156 Ų15673%0.72784%0.837SS**  175.3132.7113.100000114.4
457K49.5Very low43Very low285 Ų285153.4 Ų153.4100%1.23984%0.835SS**  trans63.60163.2-68.4-175.5176.2-179.40118.4

Retrieved 457 of 457 residues in 148.4 ms (Link to these results)

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