A0A087XXL7_POEFO Loading...

Glucosamine-6-phosphate isomerase

Catalyzes the reversible conversion of alpha-D-glucosamine 6-phosphate (GlcN-6P) into beta-D-fructose 6-phosphate (Fru-6P) and ammonium ion, a regulatory reaction step in de novo uridine diphosphate-N-acetyl-alpha-D-glucosamine (UDP-GlcNAc) biosynthesis via hexosamine pathway. Deamination is coupled to aldo-keto isomerization mediating the metabolic flux from UDP-GlcNAc toward Fru-6P. At high ammonium level can drive amination and isomerization of Fru-6P toward hexosamines and UDP-GlcNAc synthesis. Has a role in fine tuning the metabolic fluctuations of cytosolic UDP-GlcNAc and their effects on hyaluronan synthesis that occur during tissue remodeling. Seems to trigger calcium oscillations in mammalian eggs. These oscillations serve as the essential trigger for egg activation and early development of the embryo.

AlphaFold DB (A0A3B3UTW2), UniProt , Accession A0A087XXL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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
1M97.3Very high98.5Very high97 Ų9755.4 Ų55.448%0.47827%0.273SS..  0158.4071.9-179.3-179.700111.3I216 T235 F237 F255M1-I216 HydrophobicContact CE-CB 4.05Å; M1-I216 HydrophobicContact CE-CD1 3.98Å; M1-I216 HydrophobicContact SD-CB 4Å; M1-I216 HydrophobicContact SD-CG2 3.91Å; M1-T235 CarbonylContact C-O 3.6Å; M1-T235 WeakPolarHBondContact CA-O 3.48Å; M1-F237 HydrophobicContact CB-CD2 4.07Å; M1-F237 HydrophobicContact CB-CE2 4.02Å; M1-F237 HydrophobicContact SD-CD2 3.97Å; M1-F237 HydrophobicContact SD-CE2 3.97Å; M1-F255 HydrophobicContact CE-CE2 3.65Å; M1-F255 HydrophobicContact CE-CZ 3.57Å; M1-F255 HydrophobicContact CG-CZ 4.24Å
2K98.7Very high98.6Very high64 Ų6450.8 Ų50.828%0.27825%0.25SC..EExtended strand (participates in β ladder)trans-109.4138.6158.6-60.4175.1-172.2162.60107.9I4 T235 V236 F237 L265K2-I4 HydrophobicContact CB-CD1 4.39Å; K2-T235 PolarHBondContact N-O 3.43Å; K2-V236 HydrophobicContact CB-CG1 4.34Å; K2-V236 HydrophobicContact CB-CG2 4.33Å; K2-V236 HydrophobicContact CD-CG2 4.2Å; K2-V236 CarbonylContact O-C 3.56Å; K2-V236 WeakPolarHBondContact O-CA 3.31Å; K2-F237 PolarHBondContact O-N 2.95Å; K2-L265 HydrophobicContact CD-CD1 4.02Å
3L98.8Very high98.6Very high0 Ų046.9 Ų46.90%023%0.231CC..EExtended strand (participates in β ladder)trans-118.5122.5171.4176.468.3000108.1I5 I216 F237 L247 F255L3-I5 HydrophobicContact CD2-CD1 4.02Å; L3-I5 HydrophobicContact CD2-CG1 4.23Å; L3-I5 HydrophobicContact CG-CD1 4.28Å; L3-I5 HydrophobicContact CG-CG1 3.97Å; L3-I216 HydrophobicContact CD2-CD1 3.97Å; L3-F237 CarbonylContact C-O 3.54Å; L3-F237 WeakPolarHBondContact CA-O 3.43Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; L3-L247 HydrophobicContact CD2-CD1 4.12Å; L3-F255 HydrophobicContact CB-CB 4.14Å; L3-F255 HydrophobicContact CB-CD1 3.59Å; L3-F255 HydrophobicContact CB-CD2 3.85Å; L3-F255 HydrophobicContact CB-CE1 3.88Å; L3-F255 HydrophobicContact CB-CE2 4.11Å; L3-F255 HydrophobicContact CB-CG 3.6Å; L3-F255 HydrophobicContact CB-CZ 4.14Å; L3-F255 HydrophobicContact CD2-CB 4.29Å; L3-F255 HydrophobicContact CD2-CD2 3.75Å; L3-F255 HydrophobicContact CD2-CE2 4.31Å; L3-F255 HydrophobicContact CD2-CG 4.09Å; L3-F255 HydrophobicContact CG-CB 4.4Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.25Å
4I98.8Very high98.6Very high0 Ų048.1 Ų48.10%024%0.236CC..EExtended strand (participates in β ladder)trans-107.7121-179.4-43.2-54.3000106.6K2 L6 W15 V236 F237 V238 C239 M259 H262K2-I4 HydrophobicContact CB-CD1 4.39Å; I4-L6 HydrophobicContact CB-CD2 4.17Å; I4-L6 HydrophobicContact CG2-CD1 4.22Å; I4-L6 HydrophobicContact CG2-CD2 3.48Å; I4-L6 VanDerWaalsContact CG2-CD2 3.48Å; I4-W15 HydrophobicContact CB-CZ2 4.48Å; I4-W15 HydrophobicContact CD1-CH2 4.06Å; I4-W15 HydrophobicContact CD1-CZ2 3.83Å; I4-W15 HydrophobicContact CG1-CD2 4.47Å; I4-W15 HydrophobicContact CG1-CE3 4.38Å; I4-W15 HydrophobicContact CG1-CH2 3.66Å; I4-W15 HydrophobicContact CG1-CZ2 3.7Å; I4-W15 HydrophobicContact CG1-CZ3 4Å; I4-W15 HydrophobicContact CG2-CD2 3.82Å; I4-W15 HydrophobicContact CG2-CE3 4.41Å; I4-W15 HydrophobicContact CG2-CG 4.1Å; I4-W15 HydrophobicContact CG2-CZ2 4.03Å; I4-V236 HydrophobicContact CD1-CG1 4.35Å; I4-V236 HydrophobicContact CG1-CG1 3.8Å; I4-F237 PolarHBondContact N-O 2.81Å; I4-V238 HydrophobicContact CB-CG1 4.44Å; I4-V238 HydrophobicContact CB-CG2 4.42Å; I4-V238 HydrophobicContact CG1-CG2 4.23Å; I4-C239 PolarHBondContact O-N 3.46Å; I4-C239 PolarHBondContact O-SG 2.99Å; I4-M259 HydrophobicContact CB-SD 4.42Å; I4-M259 HydrophobicContact CG2-CE 3.63Å; I4-M259 HydrophobicContact CG2-SD 3.75Å; I4-H262 HydrophobicContact CD1-CB 3.52Å; I4-H262 WeakPolarHBondContact CD1-ND1 3.36Å
5I98.8Very high98.6Very high9 Ų945.6 Ų45.65%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-116.6114.7-176-52.6175.1000107.8L3 T244 V252 F255 K256L3-I5 HydrophobicContact CD2-CD1 4.02Å; L3-I5 HydrophobicContact CD2-CG1 4.23Å; L3-I5 HydrophobicContact CG-CD1 4.28Å; L3-I5 HydrophobicContact CG-CG1 3.97Å; I5-T244 HydrophobicContact CD1-CG2 4.18Å; I5-T244 HydrophobicContact CG1-CG2 4.26Å; I5-T244 HydrophobicContact CG2-CG2 3.97Å; I5-V252 HydrophobicContact CD1-CB 4.41Å; I5-V252 HydrophobicContact CD1-CG1 3.97Å; I5-F255 HydrophobicContact CD1-CB 4.2Å; I5-K256 HydrophobicContact CB-CG 4.44Å; I5-K256 HydrophobicContact CD1-CG 4.21Å
6L98.6Very high98.6Very high16 Ų1642.8 Ų42.88%0.08421%0.209CC..EExtended strand (participates in β ladder)trans-111.2162.5-178.9-63.1-47.4000109.4I4 D8 Q11 A12 W15 V238 C239 D240 E241 M259I4-L6 HydrophobicContact CB-CD2 4.17Å; I4-L6 HydrophobicContact CG2-CD1 4.22Å; I4-L6 HydrophobicContact CG2-CD2 3.48Å; I4-L6 VanDerWaalsContact CG2-CD2 3.48Å; L6-D8 PolarHBondContact O-N 2.71Å; L6-Q11 HydrophobicContact CB-CB 3.87Å; L6-Q11 HydrophobicContact CG-CB 4.3Å; L6-A12 HydrophobicContact CB-CB 4.27Å; L6-A12 HydrophobicContact CD2-CB 4.26Å; L6-A12 HydrophobicContact CG-CB 4.43Å; L6-W15 HydrophobicContact CD1-CG 4.49Å; L6-W15 HydrophobicContact CD2-CB 4.26Å; L6-W15 HydrophobicContact CD2-CG 4.38Å; L6-W15 HydrophobicContact CG-CB 4.31Å; L6-V238 HydrophobicContact CD2-CG1 3.75Å; L6-C239 WeakPolarHBondContact CD2-O 3.26Å; L6-C239 PolarHBondContact N-O 2.79Å; L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 VanDerWaalsContact O-CA 3.23Å; L6-D240 WeakPolarHBondContact O-CA 3.43Å; L6-E241 PolarHBondContact O-N 2.87Å; L6-M259 HydrophobicContact CD1-CE 3.81Å
7N98.3Very high98.6Very high105 Ų10540.2 Ų40.256%0.56120%0.197SC*.SBendtrans-69.1-36.3-173.9-58.4-60.7000112.9Q11N7-Q11 PolarHBondContact ND2-NE2 3.42Å; N7-Q11 PolarHBondContact ND2-OE1 2.9Å
8D98.6Very high98.6Very high62 Ų6241.1 Ų41.133%0.33220%0.199SC..SBendtrans-150.2173.2-170.659.653.4000112.1L6 D10 Q11 A12L6-D8 PolarHBondContact O-N 2.71Å; D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 PolarHBondContact O-N 2.78Å; D8-D10 PolarHBondContact OD1-N 2.93Å; D8-Q11 PolarHBondContact O-N 3.31Å; D8-Q11 WeakPolarHBondContact OD1-CB 3.23Å; D8-Q11 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q11 PolarHBondContact OD1-N 3.14Å; D8-Q11 PolarHBondContact OD2-NE2 3.36Å; D8-A12 WeakPolarHBondContact O-CB 3.29Å; D8-A12 PolarHBondContact O-N 3.02Å
9Y98.7Very high98.6Very high71 Ų7139.3 Ų39.328%0.27819%0.19SC..Hα-helixtrans-56.4-40.2178.7166.1-94.9000113.4A12 S13 S43 T44 G47 T204Y9-A12 PolarHBondContact O-N 3.37Å; Y9-S13 WeakPolarHBondContact O-CB 3.31Å; Y9-S13 PolarHBondContact O-N 3.19Å; Y9-S13 PolarHBondContact O-OG 2.93Å; Y9-S43 PolarHBondContact OH-O 3.06Å; Y9-T44 WeakPolarHBondContact CE2-O 3.37Å; Y9-G47 WeakPolarHBondContact OH-CA 3.43Å; Y9-G47 PolarHBondContact OH-N 3.25Å; Y9-T204 HydrophobicContact CD2-CG2 3.86Å
10D98.7Very high98.7Very high114 Ų11437.4 Ų37.461%0.6118%0.181SC*.Hα-helixtrans-70.5-41.8-176.1-73.5-30.3000110.4D8 S13 E14D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 PolarHBondContact O-N 2.78Å; D8-D10 PolarHBondContact OD1-N 2.93Å; D10-S13 WeakPolarHBondContact O-CB 3.5Å; D10-S13 PolarHBondContact O-N 2.65Å; D10-E14 WeakPolarHBondContact O-CB 3.48Å; D10-E14 PolarHBondContact O-N 3.36Å
11Q98.7Very high98.7Very high71 Ų7136 Ų3633%0.33217%0.174SC..Hα-helixtrans-66.8-41.3175.1-70.1179.250.700111.9L6 N7 D8 S13 E14 W15L6-Q11 HydrophobicContact CB-CB 3.87Å; L6-Q11 HydrophobicContact CG-CB 4.3Å; N7-Q11 PolarHBondContact ND2-NE2 3.42Å; N7-Q11 PolarHBondContact ND2-OE1 2.9Å; D8-Q11 PolarHBondContact O-N 3.31Å; D8-Q11 WeakPolarHBondContact OD1-CB 3.23Å; D8-Q11 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q11 PolarHBondContact OD1-N 3.14Å; D8-Q11 PolarHBondContact OD2-NE2 3.36Å; Q11-S13 VanDerWaalsContact C-N 3.35Å; Q11-E14 PolarHBondContact O-N 3.01Å; Q11-W15 WeakPolarHBondContact O-CB 3.47Å; Q11-W15 PolarHBondContact O-N 3.14Å
12A98.8Very high98.7Very high0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-62.7-43.2174.500000111.5L6 D8 Y9 W15 A16 L202 T204 V238L6-A12 HydrophobicContact CB-CB 4.27Å; L6-A12 HydrophobicContact CD2-CB 4.26Å; L6-A12 HydrophobicContact CG-CB 4.43Å; D8-A12 WeakPolarHBondContact O-CB 3.29Å; D8-A12 PolarHBondContact O-N 3.02Å; Y9-A12 PolarHBondContact O-N 3.37Å; A12-W15 PolarHBondContact O-N 3.37Å; A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.49Å; A12-L202 HydrophobicContact CB-CD1 4.11Å; A12-T204 HydrophobicContact CB-CG2 4.02Å; A12-V238 HydrophobicContact CB-CG1 4.31Å
13S98.8Very high98.7Very high1 Ų130.9 Ų30.91%0.00715%0.149CC..Hα-helixtrans-61.7-46175.7-68.90000112.4Y9 D10 Q11 A16 A17Y9-S13 WeakPolarHBondContact O-CB 3.31Å; Y9-S13 PolarHBondContact O-N 3.19Å; Y9-S13 PolarHBondContact O-OG 2.93Å; D10-S13 WeakPolarHBondContact O-CB 3.5Å; D10-S13 PolarHBondContact O-N 2.65Å; Q11-S13 VanDerWaalsContact C-N 3.35Å; S13-A16 PolarHBondContact O-N 2.66Å; S13-A17 WeakPolarHBondContact O-CB 3.24Å; S13-A17 PolarHBondContact O-N 2.94Å
14E98.7Very high98.7Very high63 Ų6331 Ų3129%0.29415%0.15SC..Hα-helixtrans-66.9-42.2178.6-171.3-177.1-174.500111.6D10 Q11 A16 A17 K18 K51D10-E14 WeakPolarHBondContact O-CB 3.48Å; D10-E14 PolarHBondContact O-N 3.36Å; Q11-E14 PolarHBondContact O-N 3.01Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.03Å; E14-A17 PolarHBondContact O-N 2.86Å; E14-K18 HydrophobicContact CG-CD 4.27Å; E14-K18 HydrophobicContact CG-CG 4.45Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 3.03Å; E14-K18 PolarHBondContact OE1-NZ 2.9Å; E14-K18 IonicContact OE2-NZ 3.41Å; E14-K51 HydrophobicContact CB-CD 4.47Å; E14-K51 HydrophobicContact CB-CG 4.4Å; E14-K51 HydrophobicContact CG-CD 4.18Å; E14-K51 HydrophobicContact CG-CG 4.49Å
15W98.8Very high98.6Very high11 Ų1133.2 Ų33.24%0.04216%0.161CC..Hα-helixtrans-58.8-47.3176.6-167.3102.9000110.9I4 L6 Q11 A12 A17 K18 Y19 M200 V236 V238 N263 L265 V266I4-W15 HydrophobicContact CB-CZ2 4.48Å; I4-W15 HydrophobicContact CD1-CH2 4.06Å; I4-W15 HydrophobicContact CD1-CZ2 3.83Å; I4-W15 HydrophobicContact CG1-CD2 4.47Å; I4-W15 HydrophobicContact CG1-CE3 4.38Å; I4-W15 HydrophobicContact CG1-CH2 3.66Å; I4-W15 HydrophobicContact CG1-CZ2 3.7Å; I4-W15 HydrophobicContact CG1-CZ3 4Å; I4-W15 HydrophobicContact CG2-CD2 3.82Å; I4-W15 HydrophobicContact CG2-CE3 4.41Å; I4-W15 HydrophobicContact CG2-CG 4.1Å; I4-W15 HydrophobicContact CG2-CZ2 4.03Å; L6-W15 HydrophobicContact CD1-CG 4.49Å; L6-W15 HydrophobicContact CD2-CB 4.26Å; L6-W15 HydrophobicContact CD2-CG 4.38Å; L6-W15 HydrophobicContact CG-CB 4.31Å; Q11-W15 WeakPolarHBondContact O-CB 3.47Å; Q11-W15 PolarHBondContact O-N 3.14Å; A12-W15 PolarHBondContact O-N 3.37Å; W15-A17 PolarHBondContact O-N 2.92Å; W15-K18 PolarHBondContact O-N 3.14Å; W15-Y19 AromaticContact CH2-CD2 3.99Å; W15-Y19 HydrophobicContact CH2-CD2 3.99Å; W15-Y19 HydrophobicContact CH2-CG 4.04Å; W15-Y19 HydrophobicContact CZ3-CD1 4.32Å; W15-Y19 HydrophobicContact CZ3-CD2 4.29Å; W15-Y19 AromaticContact CZ3-CG 3.87Å; W15-Y19 HydrophobicContact CZ3-CG 3.87Å; W15-Y19 WeakPolarHBondContact O-CB 3.49Å; W15-Y19 PolarHBondContact O-N 3.35Å; W15-M200 HydrophobicContact CZ3-SD 4.33Å; W15-V236 HydrophobicContact CH2-CG1 4.05Å; W15-V236 HydrophobicContact CZ3-CG1 4.1Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.36Å; W15-V238 HydrophobicContact CE3-CG1 3.9Å; W15-V238 HydrophobicContact CE3-CG2 3.46Å; W15-V238 VanDerWaalsContact CE3-CG2 3.46Å; W15-V238 HydrophobicContact CH2-CG2 4.5Å; W15-V238 HydrophobicContact CZ3-CG2 3.44Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.44Å; W15-N263 PolarHBondContact NE1-OD1 3.44Å; W15-L265 HydrophobicContact CH2-CD1 4.36Å; W15-L265 HydrophobicContact CZ2-CB 4.35Å; W15-L265 HydrophobicContact CZ2-CD1 4.36Å; W15-V266 HydrophobicContact CD2-CG1 3.82Å; W15-V266 HydrophobicContact CE3-CG1 4.33Å; W15-V266 HydrophobicContact CG-CG1 4.19Å; W15-V266 HydrophobicContact CG-CG2 4.47Å; W15-V266 HydrophobicContact CH2-CG1 4.3Å; W15-V266 HydrophobicContact CZ2-CG1 3.82Å
16A98.9Very high98.6Very high0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-60-43.6176.500000112A12 S13 E14 Y19 I20 M200 L202A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.49Å; S13-A16 PolarHBondContact O-N 2.66Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.03Å; A16-Y19 PolarHBondContact O-N 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.36Å; A16-I20 PolarHBondContact O-N 3.43Å; A16-M200 HydrophobicContact CB-CE 3.79Å; A16-M200 HydrophobicContact CB-SD 4.11Å; A16-L202 HydrophobicContact CB-CD1 4.28Å; A16-L202 HydrophobicContact CB-CD2 4.5Å
17A98.9Very high98.5Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-64.6-43.1177.700000112.5S13 E14 W15 Y19 I20 R21 K51 L52 Y55S13-A17 WeakPolarHBondContact O-CB 3.24Å; S13-A17 PolarHBondContact O-N 2.94Å; E14-A17 PolarHBondContact O-N 2.86Å; W15-A17 PolarHBondContact O-N 2.92Å; A17-Y19 VanDerWaalsContact C-N 3.28Å; A17-Y19 PolarHBondContact O-N 2.98Å; A17-I20 PolarHBondContact O-N 3.17Å; A17-R21 WeakPolarHBondContact O-CB 3.32Å; A17-R21 PolarHBondContact O-N 3.46Å; A17-K51 HydrophobicContact CB-CB 3.44Å; A17-K51 VanDerWaalsContact CB-CB 3.44Å; A17-K51 HydrophobicContact CB-CG 4.47Å; A17-L52 HydrophobicContact CB-CD2 4.17Å; A17-L52 HydrophobicContact CB-CG 4.09Å; A17-Y55 HydrophobicContact CB-CE2 3.88Å
18K98.7Very high98.5Very high55 Ų5542 Ų4224%0.23920%0.197CC..Hα-helixtrans-60.7-40.2174.4-73.6175.6179.1159.90111.4E14 W15 R21 N22 Y55 V266E14-K18 HydrophobicContact CG-CD 4.27Å; E14-K18 HydrophobicContact CG-CG 4.45Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 3.03Å; E14-K18 PolarHBondContact OE1-NZ 2.9Å; E14-K18 IonicContact OE2-NZ 3.41Å; W15-K18 PolarHBondContact O-N 3.14Å; K18-R21 PolarHBondContact O-N 3.24Å; K18-N22 WeakPolarHBondContact O-CB 3.42Å; K18-N22 VanDerWaalsContact O-CG 3.31Å; K18-N22 PolarHBondContact O-N 3.16Å; K18-N22 PolarHBondContact O-OD1 3.21Å; K18-Y55 WeakPolarHBondContact CE-OH 3.18Å; K18-Y55 HydrophobicContact CG-CE2 4.25Å; K18-Y55 VanDerWaalsContact CG-OH 3.31Å; K18-Y55 WeakPolarHBondContact CG-OH 3.43Å; K18-V266 HydrophobicContact CB-CB 3.74Å; K18-V266 HydrophobicContact CB-CG1 3.88Å; K18-V266 HydrophobicContact CD-CB 4.32Å
19Y98.8Very high98.5Very high7 Ų740.5 Ų40.53%0.02719%0.191CC..Hα-helixtrans-64-49.7178.4-168.2-116.1000111.5W15 A16 A17 R21 N22 K23 E198 M200 L265 V266W15-Y19 AromaticContact CH2-CD2 3.99Å; W15-Y19 HydrophobicContact CH2-CD2 3.99Å; W15-Y19 HydrophobicContact CH2-CG 4.04Å; W15-Y19 HydrophobicContact CZ3-CD1 4.32Å; W15-Y19 HydrophobicContact CZ3-CD2 4.29Å; W15-Y19 AromaticContact CZ3-CG 3.87Å; W15-Y19 HydrophobicContact CZ3-CG 3.87Å; W15-Y19 WeakPolarHBondContact O-CB 3.49Å; W15-Y19 PolarHBondContact O-N 3.35Å; A16-Y19 PolarHBondContact O-N 3.29Å; A17-Y19 VanDerWaalsContact C-N 3.28Å; A17-Y19 PolarHBondContact O-N 2.98Å; Y19-R21 PolarHBondContact O-N 3.17Å; Y19-N22 PolarHBondContact O-N 2.74Å; Y19-K23 HydrophobicContact CD1-CG 4.29Å; Y19-K23 HydrophobicContact CD2-CG 4.48Å; Y19-K23 HydrophobicContact CE1-CD 4.45Å; Y19-K23 HydrophobicContact CE1-CG 4.06Å; Y19-K23 HydrophobicContact CE2-CD 4.31Å; Y19-K23 HydrophobicContact CE2-CG 4.22Å; Y19-K23 WeakPolarHBondContact O-CB 3.32Å; Y19-K23 WeakPolarHBondContact O-CG 3.42Å; Y19-K23 PolarHBondContact O-N 2.49Å; Y19-E198 VanDerWaalsContact CE1-OE1 3.27Å; Y19-E198 WeakPolarHBondContact CE1-OE1 3.48Å; Y19-E198 VanDerWaalsContact CZ-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE2 2.62Å; Y19-M200 HydrophobicContact CD1-SD 3.74Å; Y19-M200 HydrophobicContact CG-SD 4.47Å; Y19-L265 HydrophobicContact CD2-CB 3.96Å; Y19-L265 HydrophobicContact CE2-CB 3.84Å; Y19-L265 HydrophobicContact CE2-CD1 4.23Å; Y19-L265 HydrophobicContact CE2-CD2 4.49Å; Y19-L265 HydrophobicContact CE2-CG 4.41Å; Y19-V266 HydrophobicContact CD2-CG1 4.33Å
20I98.9Very high98.5Very high2 Ų237.9 Ų37.91%0.0119%0.186CC..Hα-helixtrans-57.9-49.1176.1-67.2162.9000110.7A16 A17 N22 K23 I24 L37 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CG1 3.36Å; A16-I20 PolarHBondContact O-N 3.43Å; A17-I20 PolarHBondContact O-N 3.17Å; I20-N22 PolarHBondContact O-N 2.9Å; I20-K23 PolarHBondContact O-N 3.49Å; I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.89Å; I20-L37 HydrophobicContact CG2-CD2 4.26Å; I20-L52 HydrophobicContact CB-CD2 4.14Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.19Å; I20-L52 HydrophobicContact CG2-CD2 3.96Å; I20-L133 HydrophobicContact CG1-CD2 3.94Å; I20-V135 HydrophobicContact CD1-CG2 3.92Å; I20-V135 HydrophobicContact CG1-CG2 4.19Å; I20-M200 HydrophobicContact CD1-CE 3.71Å; I20-M200 HydrophobicContact CG1-CE 3.74Å
21R98.6Very high98.4Very high9 Ų936.7 Ų36.73%0.03418%0.184CC..Hα-helixtrans-51.8-54.9174.8159177.293.1178.33.5111A17 K18 Y19 K23 I24 L25 Y55 E60 I61A17-R21 WeakPolarHBondContact O-CB 3.32Å; A17-R21 PolarHBondContact O-N 3.46Å; K18-R21 PolarHBondContact O-N 3.24Å; Y19-R21 PolarHBondContact O-N 3.17Å; R21-K23 VanDerWaalsContact C-N 3.26Å; R21-K23 PolarHBondContact O-N 2.81Å; R21-I24 PolarHBondContact O-N 3.39Å; R21-L25 HydrophobicContact CG-CD1 3.72Å; R21-L25 HydrophobicContact CG-CG 4.32Å; R21-L25 WeakPolarHBondContact O-CB 3.16Å; R21-L25 WeakPolarHBondContact O-CG 3.35Å; R21-L25 PolarHBondContact O-N 2.93Å; R21-Y55 HydrophobicContact CB-CD2 4.24Å; R21-E60 IonicContact CZ-OE2 2.62Å; R21-E60 IonicContact NH1-OE2 3.56Å; R21-E60 PolarHBondContact NH1-OE2 3.3Å; R21-I61 HydrophobicContact CB-CG2 3.76Å; R21-I61 HydrophobicContact CG-CG2 3.29Å
22N98.3Very high98.2Very high7 Ų741.2 Ų41.24%0.03721%0.211CC..Hα-helixtrans-64-35.2-174.9-787.9000111.1K18 Y19 I20 L25 H26 L265 V266 E267K18-N22 WeakPolarHBondContact O-CB 3.42Å; K18-N22 VanDerWaalsContact O-CG 3.31Å; K18-N22 PolarHBondContact O-N 3.16Å; K18-N22 PolarHBondContact O-OD1 3.21Å; Y19-N22 PolarHBondContact O-N 2.74Å; I20-N22 PolarHBondContact O-N 2.9Å; N22-L25 PolarHBondContact O-N 3.45Å; N22-H26 WeakPolarHBondContact O-CB 3.45Å; N22-H26 PolarHBondContact O-N 2.62Å; N22-H26 PolarHBondContact O-ND1 3.43Å; N22-L265 PolarHBondContact ND2-O 2.94Å; N22-L265 VanDerWaalsContact ND2-O 3.14Å; N22-V266 WeakPolarHBondContact ND2-CA 3.18Å; N22-E267 PolarHBondContact ND2-O 3.21Å
23K98.4Very high98.2Very high45 Ų4546.4 Ų46.420%0.19623%0.234CC..Hα-helixtrans-65.9-44.9176.1-69.9-71.7-102.5172.50112Y19 I20 R21 F27 F35 E198Y19-K23 HydrophobicContact CD1-CG 4.29Å; Y19-K23 HydrophobicContact CD2-CG 4.48Å; Y19-K23 HydrophobicContact CE1-CD 4.45Å; Y19-K23 HydrophobicContact CE1-CG 4.06Å; Y19-K23 HydrophobicContact CE2-CD 4.31Å; Y19-K23 HydrophobicContact CE2-CG 4.22Å; Y19-K23 WeakPolarHBondContact O-CB 3.32Å; Y19-K23 WeakPolarHBondContact O-CG 3.42Å; Y19-K23 PolarHBondContact O-N 2.49Å; I20-K23 PolarHBondContact O-N 3.49Å; R21-K23 VanDerWaalsContact C-N 3.26Å; R21-K23 PolarHBondContact O-N 2.81Å; K23-F27 VanDerWaalsContact O-CB 3.22Å; K23-F27 WeakPolarHBondContact O-CB 3.45Å; K23-F27 PolarHBondContact O-N 3.09Å; K23-F35 HydrophobicContact CB-CE2 4.15Å; K23-F35 HydrophobicContact CB-CZ 4.06Å; K23-E198 WeakPolarHBondContact CE-OE2 3.39Å; K23-E198 IonicContact NZ-OE2 2.73Å; K23-E198 PolarHBondContact NZ-OE2 2.79Å
24I98.6Very high98.2Very high3 Ų348.8 Ų48.82%0.01524%0.244CC..Hα-helixtrans-61.4-48.9174.5-67.1168.8000110.1I20 R21 H26 F27 Q28 P29 F35 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 2.89Å; R21-I24 PolarHBondContact O-N 3.39Å; I24-H26 PolarHBondContact O-N 3.1Å; I24-F27 PolarHBondContact O-N 2.99Å; I24-Q28 PolarHBondContact O-N 3.36Å; I24-Q28 VanDerWaalsContact O-N 3.17Å; I24-P29 HydrophobicContact CG2-CG 4.12Å; I24-P29 WeakPolarHBondContact O-CD 3.17Å; I24-F35 HydrophobicContact CD1-CD1 4.49Å; I24-F35 HydrophobicContact CG1-CD1 3.74Å; I24-F35 HydrophobicContact CG1-CD2 4.31Å; I24-F35 HydrophobicContact CG1-CE1 3.8Å; I24-F35 HydrophobicContact CG1-CE2 4.35Å; I24-F35 HydrophobicContact CG1-CG 4.01Å; I24-F35 HydrophobicContact CG1-CZ 4.11Å; I24-F63 HydrophobicContact CD1-CD1 4.36Å; I24-F63 HydrophobicContact CD1-CE1 3.86Å; I24-V66 HydrophobicContact CD1-CG2 4.21Å; I24-V66 HydrophobicContact CG2-CG2 4.3Å
25L97.9Very high98.2Very high46 Ų4645.9 Ų45.924%0.24123%0.23CC..Hα-helixtrans-63.3-41.8-178.8-68.8177.4000113.1R21 N22 Q28 I61 L269R21-L25 HydrophobicContact CG-CD1 3.72Å; R21-L25 HydrophobicContact CG-CG 4.32Å; R21-L25 WeakPolarHBondContact O-CB 3.16Å; R21-L25 WeakPolarHBondContact O-CG 3.35Å; R21-L25 PolarHBondContact O-N 2.93Å; N22-L25 PolarHBondContact O-N 3.45Å; L25-Q28 VanDerWaalsContact O-CG 3.23Å; L25-Q28 WeakPolarHBondContact O-CG 2.84Å; L25-Q28 PolarHBondContact O-N 2.88Å; L25-I61 HydrophobicContact CD1-CG2 4.28Å; L25-I61 HydrophobicContact CD2-CG2 4.32Å; L25-I61 HydrophobicContact CG-CG2 4.18Å; L25-L269 HydrophobicContact CB-CD1 4.01Å; L25-L269 HydrophobicContact CD1-CD1 4.39Å
26H97.1Very high98.2Very high123 Ų12345.7 Ų45.757%0.56923%0.23SC*.Hα-helixtrans-69.3-34.1176.4-81.884000112.6N22 I24 Q28 L269N22-H26 WeakPolarHBondContact O-CB 3.45Å; N22-H26 PolarHBondContact O-N 2.62Å; N22-H26 PolarHBondContact O-ND1 3.43Å; I24-H26 PolarHBondContact O-N 3.1Å; H26-Q28 PolarHBondContact O-N 3.43Å; H26-L269 WeakPolarHBondContact CE1-CD2 3.37Å; H26-L269 VanDerWaalsContact NE2-CD2 3.35Å; H26-L269 WeakPolarHBondContact NE2-CD2 3.18Å
27F98.3Very high98.2Very high35 Ų3545.7 Ų45.715%0.15423%0.23CC..Hα-helixtrans-68.5-27.1178.9-175.5-92.3000112.4K23 I24 P29 K33 F34 F35 E132K23-F27 VanDerWaalsContact O-CB 3.22Å; K23-F27 WeakPolarHBondContact O-CB 3.45Å; K23-F27 PolarHBondContact O-N 3.09Å; I24-F27 PolarHBondContact O-N 2.99Å; F27-P29 HydrophobicContact CD1-CB 3.96Å; F27-P29 HydrophobicContact CE1-CB 4.24Å; F27-K33 HydrophobicContact CE1-CD 3.97Å; F27-K33 HydrophobicContact CE1-CG 3.74Å; F27-K33 HydrophobicContact CZ-CD 4.17Å; F27-K33 VanDerWaalsContact CZ-CE 3.46Å; F27-K33 HydrophobicContact CZ-CG 3.88Å; F27-K33 PolarHBondContact O-NZ 3.31Å; F27-F34 WeakPolarHBondContact CE1-O 3.39Å; F27-F34 WeakPolarHBondContact CZ-O 3.38Å; F27-F35 HydrophobicContact CB-CD2 3.62Å; F27-F35 HydrophobicContact CB-CE2 4.1Å; F27-F35 HydrophobicContact CD1-CB 3.92Å; F27-F35 AromaticContact CD1-CD2 3.83Å; F27-F35 HydrophobicContact CD1-CD2 3.83Å; F27-F35 HydrophobicContact CD1-CG 4.39Å; F27-F35 HydrophobicContact CD2-CD2 4.04Å; F27-F35 HydrophobicContact CE1-CB 4.11Å; F27-F35 HydrophobicContact CE1-CD2 4.45Å; F27-F35 AromaticContact CG-CD2 3.58Å; F27-F35 HydrophobicContact CG-CD2 3.58Å; F27-F35 HydrophobicContact CG-CE2 4.33Å; F27-E132 HydrophobicContact CD2-CG 4.05Å; F27-E132 HydrophobicContact CE2-CG 4.05Å; F27-E132 WeakPolarHBondContact CE2-OE2 3.22Å
28Q97.8Very high98.2Very high156 Ų15645.7 Ų45.773%0.72923%0.23SC*.  trans52.864.1-179.3-60.9178.3-14.300111.4I24 L25 H26I24-Q28 PolarHBondContact O-N 3.36Å; I24-Q28 VanDerWaalsContact O-N 3.17Å; L25-Q28 VanDerWaalsContact O-CG 3.23Å; L25-Q28 WeakPolarHBondContact O-CG 2.84Å; L25-Q28 PolarHBondContact O-N 2.88Å; H26-Q28 PolarHBondContact O-N 3.43Å
29P98.3Very high98.2Very high31 Ų3143.2 Ų43.220%0.20122%0.22CC..  trans-67.2152.6-17831.4-36.7000111.4I24 F27 K33 F35 F65I24-P29 HydrophobicContact CG2-CG 4.12Å; I24-P29 WeakPolarHBondContact O-CD 3.17Å; F27-P29 HydrophobicContact CD1-CB 3.96Å; F27-P29 HydrophobicContact CE1-CB 4.24Å; P29-K33 CarbonylContact C-O 3.52Å; P29-K33 WeakPolarHBondContact CA-O 3.49Å; P29-K33 WeakPolarHBondContact CB-O 3.23Å; P29-F35 HydrophobicContact CB-CB 4.03Å; P29-F35 HydrophobicContact CG-CB 4.29Å; P29-F65 HydrophobicContact CB-CB 3.76Å; P29-F65 WeakPolarHBondContact CB-O 3.39Å; P29-F65 HydrophobicContact CG-CB 4.27Å
30G98.2Very high98.2Very high16 Ų1643.2 Ų43.217%0.16522%0.221CC..BIsolated β-bridgetrans-157.7-175.9-178.400000112.2N32 K33G30-N32 PolarHBondContact O-N 3.11Å; G30-K33 PolarHBondContact N-O 3.1Å; G30-K33 CarbonylContact O-C 3.56Å; G30-K33 PolarHBondContact O-N 3.45Å
31P96.8Very high98.1Very high89 Ų8944 Ų4458%0.57823%0.225SC*.THydrogen-bonded Turntrans-54.6-28.6-171.7-27.833.2000115.7F34 F65P31-F34 VanDerWaalsContact O-CE2 3.31Å; P31-F34 WeakPolarHBondContact O-CE2 3.34Å; P31-F65 HydrophobicContact CB-CE1 4.06Å; P31-F65 HydrophobicContact CG-CE1 3.65Å; P31-F65 HydrophobicContact CG-CZ 3.69Å
32N95.5Very high97.9Very high167 Ų16744.7 Ų44.789%0.89324%0.236SC*.THydrogen-bonded Turntrans-111.96.4-178.6-60.1-34.4000113.1G30G30-N32 PolarHBondContact O-N 3.11Å
33K97.8Very high97.7Very high109 Ų10947 Ų4747%0.47425%0.252SS..BIsolated β-bridgetrans-150.786.1-174.5-170-164.1178-162.20109.3F27 P29 G30F27-K33 HydrophobicContact CE1-CD 3.97Å; F27-K33 HydrophobicContact CE1-CG 3.74Å; F27-K33 HydrophobicContact CZ-CD 4.17Å; F27-K33 VanDerWaalsContact CZ-CE 3.46Å; F27-K33 HydrophobicContact CZ-CG 3.88Å; F27-K33 PolarHBondContact O-NZ 3.31Å; P29-K33 CarbonylContact C-O 3.52Å; P29-K33 WeakPolarHBondContact CA-O 3.49Å; P29-K33 WeakPolarHBondContact CB-O 3.23Å; G30-K33 PolarHBondContact N-O 3.1Å; G30-K33 CarbonylContact O-C 3.56Å; G30-K33 PolarHBondContact O-N 3.45Å
34F98.8Very high97.6Very high51 Ų5145.4 Ų45.422%0.22425%0.246CC..PPolyproline II helixtrans-79.9145.6179.6-73.5-98.6000111.2F27 P31 F65 K67 N103F27-F34 WeakPolarHBondContact CE1-O 3.39Å; F27-F34 WeakPolarHBondContact CZ-O 3.38Å; P31-F34 VanDerWaalsContact O-CE2 3.31Å; P31-F34 WeakPolarHBondContact O-CE2 3.34Å; F34-F65 VanDerWaalsContact CA-O 3.32Å; F34-F65 WeakPolarHBondContact CA-O 3.35Å; F34-F65 VanDerWaalsContact CD1-C 3.46Å; F34-F65 HydrophobicContact CD1-CB 4.3Å; F34-F65 WeakPolarHBondContact CD1-O 3.36Å; F34-F65 HydrophobicContact CE1-CB 4.37Å; F34-F65 HydrophobicContact CE1-CD1 4.08Å; F34-F65 HydrophobicContact CZ-CD1 4.15Å; F34-K67 HydrophobicContact CB-CD 4.22Å; F34-K67 HydrophobicContact CB-CG 4.19Å; F34-K67 HydrophobicContact CD1-CD 4.31Å; F34-K67 HydrophobicContact CD1-CG 3.83Å; F34-K67 HydrophobicContact CG-CD 4.2Å; F34-K67 HydrophobicContact CG-CG 4.15Å; F34-N103 WeakPolarHBondContact CE1-ND2 3.16Å
35F98.9Very high97.6Very high2 Ų245.7 Ų45.71%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-85.6118.4165.2-174.7-84000108.5K23 I24 F27 P29 L37 F65 V66 K67 E132 L133K23-F35 HydrophobicContact CB-CE2 4.15Å; K23-F35 HydrophobicContact CB-CZ 4.06Å; I24-F35 HydrophobicContact CD1-CD1 4.49Å; I24-F35 HydrophobicContact CG1-CD1 3.74Å; I24-F35 HydrophobicContact CG1-CD2 4.31Å; I24-F35 HydrophobicContact CG1-CE1 3.8Å; I24-F35 HydrophobicContact CG1-CE2 4.35Å; I24-F35 HydrophobicContact CG1-CG 4.01Å; I24-F35 HydrophobicContact CG1-CZ 4.11Å; F27-F35 HydrophobicContact CB-CD2 3.62Å; F27-F35 HydrophobicContact CB-CE2 4.1Å; F27-F35 HydrophobicContact CD1-CB 3.92Å; F27-F35 AromaticContact CD1-CD2 3.83Å; F27-F35 HydrophobicContact CD1-CD2 3.83Å; F27-F35 HydrophobicContact CD1-CG 4.39Å; F27-F35 HydrophobicContact CD2-CD2 4.04Å; F27-F35 HydrophobicContact CE1-CB 4.11Å; F27-F35 HydrophobicContact CE1-CD2 4.45Å; F27-F35 AromaticContact CG-CD2 3.58Å; F27-F35 HydrophobicContact CG-CD2 3.58Å; F27-F35 HydrophobicContact CG-CE2 4.33Å; P29-F35 HydrophobicContact CB-CB 4.03Å; P29-F35 HydrophobicContact CG-CB 4.29Å; F35-L37 HydrophobicContact CD1-CB 4.14Å; F35-L37 HydrophobicContact CE1-CB 4.03Å; F35-L37 HydrophobicContact CE1-CD1 4.16Å; F35-F65 PolarHBondContact N-O 3.18Å; F35-V66 HydrophobicContact CB-CG2 4.31Å; F35-V66 CarbonylContact O-C 3.54Å; F35-V66 WeakPolarHBondContact O-CA 3.3Å; F35-K67 PolarHBondContact O-N 3.06Å; F35-E132 HydrophobicContact CD2-CB 4.31Å; F35-E132 HydrophobicContact CD2-CG 3.87Å; F35-E132 HydrophobicContact CE2-CB 4.12Å; F35-E132 HydrophobicContact CE2-CG 3.49Å; F35-E132 VanDerWaalsContact CE2-CG 3.49Å; F35-E132 HydrophobicContact CZ-CB 4.3Å; F35-E132 HydrophobicContact CZ-CG 4.02Å; F35-L133 HydrophobicContact CE1-CB 4.16Å; F35-L133 HydrophobicContact CZ-CB 3.79Å; F35-L133 HydrophobicContact CZ-CD2 4.4Å
36T98.9Very high97.7Very high7 Ų745.6 Ų45.64%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-95.5121.8-179.747.60000110.9K67 F69 A128 G130 I131 E132 L133T36-K67 CarbonylContact C-O 3.57Å; T36-K67 WeakPolarHBondContact CA-O 3.27Å; T36-K67 HydrophobicContact CG2-CB 4.2Å; T36-F69 HydrophobicContact CG2-CE2 4.22Å; T36-A128 HydrophobicContact CG2-CB 3.76Å; T36-G130 VanDerWaalsContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CB-O 3.3Å; T36-G130 WeakPolarHBondContact CG2-O 3.39Å; T36-G130 PolarHBondContact OG1-O 3.47Å; T36-I131 WeakPolarHBondContact OG1-CA 3.45Å; T36-E132 WeakPolarHBondContact O-CB 3.39Å; T36-E132 PolarHBondContact O-N 2.6Å; T36-E132 PolarHBondContact OG1-N 2.88Å; T36-L133 PolarHBondContact O-N 2.95Å
37L98.9Very high97.7Very high0 Ų040.1 Ų40.10%023%0.225CC..EExtended strand (participates in β ladder)trans-123112.7-170.6-179.860.4000111.1I20 F35 L39 V66 K67 T68 F69 L133 V135I20-L37 HydrophobicContact CG2-CD2 4.26Å; F35-L37 HydrophobicContact CD1-CB 4.14Å; F35-L37 HydrophobicContact CE1-CB 4.03Å; F35-L37 HydrophobicContact CE1-CD1 4.16Å; L37-L39 HydrophobicContact CD1-CD2 4.23Å; L37-L39 HydrophobicContact CD2-CD1 4.43Å; L37-L39 HydrophobicContact CD2-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.71Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-V66 HydrophobicContact CB-CG1 4.14Å; L37-V66 HydrophobicContact CD2-CG1 4.47Å; L37-K67 PolarHBondContact N-O 2.86Å; L37-T68 HydrophobicContact CB-CG2 4.39Å; L37-T68 CarbonylContact O-C 3.58Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.19Å; L37-F69 PolarHBondContact O-N 3.32Å; L37-L133 CarbonylContact C-O 3.56Å; L37-L133 WeakPolarHBondContact CA-O 3.11Å; L37-L133 HydrophobicContact CD1-CB 4.22Å; L37-L133 HydrophobicContact CD1-CD2 4.13Å; L37-L133 HydrophobicContact CD1-CG 4.11Å; L37-L133 WeakPolarHBondContact CD1-O 3.34Å; L37-V135 HydrophobicContact CD1-CG2 3.86Å
38G98.9Very high97.8Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-76.1135169.400000110.8F69 L133 V135G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.44Å; G38-L133 PolarHBondContact N-O 3.37Å; G38-V135 WeakPolarHBondContact O-CB 3.32Å; G38-V135 PolarHBondContact O-N 3.35Å
39L98.9Very high97.8Very high2 Ų231.5 Ų31.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-131.1138.2-171.8-72.6-178.2000114.1L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.23Å; L37-L39 HydrophobicContact CD2-CD1 4.43Å; L37-L39 HydrophobicContact CD2-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.71Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-Y49 HydrophobicContact CD1-CE1 4.3Å; L39-Y49 HydrophobicContact CD2-CE1 4Å; L39-T68 HydrophobicContact CD1-CG2 3.56Å; L39-T68 HydrophobicContact CG-CG2 4.39Å; L39-F69 PolarHBondContact N-O 3.24Å; L39-N70 WeakPolarHBondContact O-CA 3.32Å; L39-N70 PolarHBondContact O-ND2 3.45Å; L39-M71 WeakPolarHBondContact O-CG 3.44Å; L39-M71 PolarHBondContact O-N 2.92Å; L39-M71 VanDerWaalsContact O-N 3.12Å; L39-M89 HydrophobicContact CB-CE 4.19Å; L39-M89 HydrophobicContact CD1-CE 3.64Å; L39-F93 HydrophobicContact CD1-CD1 4.15Å; L39-F93 HydrophobicContact CD1-CE1 3.93Å; L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.48Å
40P98.6Very high97.8Very high8 Ų836.3 Ų36.35%0.05220%0.203CC..  trans-94.5169172.635.4-27.5000112.2P45 Y49 M71 V135P40-P45 HydrophobicContact CG-CB 3.99Å; P40-P45 HydrophobicContact CG-CG 4.07Å; P40-Y49 PolarHBondContact O-OH 2.91Å; P40-M71 HydrophobicContact CB-SD 3.69Å; P40-V135 WeakPolarHBondContact CD-O 3.16Å; P40-V135 HydrophobicContact CG-CG1 4.15Å
41T97.7Very high97.9Very high18 Ų1838.3 Ų38.311%0.1121%0.207CC..  trans-113.3-168.4166.265.70000110.9P45 Y85 F88 M89T41-P45 WeakPolarHBondContact O-CD 3.38Å; T41-P45 VanDerWaalsContact O-CG 3.26Å; T41-P45 WeakPolarHBondContact O-CG 3.49Å; T41-Y85 HydrophobicContact CG2-CD1 4.05Å; T41-Y85 HydrophobicContact CG2-CD2 3.93Å; T41-Y85 HydrophobicContact CG2-CG 3.67Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.19Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.42Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.25Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.37Å; T41-F88 HydrophobicContact CG2-CD1 3.65Å; T41-F88 HydrophobicContact CG2-CE1 4.09Å; T41-F88 HydrophobicContact CG2-CG 4.32Å; T41-M89 HydrophobicContact CG2-CG 4.12Å; T41-M89 HydrophobicContact CG2-SD 3.97Å
42G93.9Very high98Very high24 Ų2434.1 Ų34.125%0.24718%0.18CC..SBendtrans92.4-178.7177.600000113.8P45 F88G42-P45 VanDerWaalsContact O-CD 3.28Å; G42-P45 WeakPolarHBondContact O-CD 3.42Å; G42-P45 WeakPolarHBondContact O-CG 3.41Å; G42-F88 VanDerWaalsContact O-CZ 3.32Å; G42-F88 WeakPolarHBondContact O-CZ 3.19Å
43S93.8Very high98.1Very high56 Ų5626.9 Ų26.939%0.39214%0.141SC..SBendtrans-70.3-34.9-172.955.60000113.5Y9 L46Y9-S43 PolarHBondContact OH-O 3.06Å; S43-L46 WeakPolarHBondContact O-CB 3.43Å; S43-L46 PolarHBondContact O-N 3.2Å
44T97.1Very high98.2Very high11 Ų1125.6 Ų25.67%0.06714%0.137CC..THydrogen-bonded Turntrans-59.1-48.3-176.9-630000113.7Y9 L46 L202Y9-T44 WeakPolarHBondContact CE2-O 3.37Å; T44-L46 VanDerWaalsContact C-N 3.31Å; T44-L46 PolarHBondContact O-N 3.1Å; T44-L202 HydrophobicContact CG2-CB 4.18Å; T44-L202 HydrophobicContact CG2-CD2 3.87Å; T44-L202 HydrophobicContact CG2-CG 3.67Å; T44-L202 WeakPolarHBondContact CG2-O 3.16Å
45P98.3Very high98.2Very high9 Ų923.8 Ų23.86%0.05813%0.128CC..THydrogen-bonded Turntrans-77.7-5.9-179.931.2-39000115.3P40 T41 G42 G47 C48 Y49P40-P45 HydrophobicContact CG-CB 3.99Å; P40-P45 HydrophobicContact CG-CG 4.07Å; T41-P45 WeakPolarHBondContact O-CD 3.38Å; T41-P45 VanDerWaalsContact O-CG 3.26Å; T41-P45 WeakPolarHBondContact O-CG 3.49Å; G42-P45 VanDerWaalsContact O-CD 3.28Å; G42-P45 WeakPolarHBondContact O-CD 3.42Å; G42-P45 WeakPolarHBondContact O-CG 3.41Å; P45-G47 VanDerWaalsContact C-N 3.32Å; P45-G47 PolarHBondContact O-N 3.5Å; P45-C48 WeakPolarHBondContact O-CB 3.35Å; P45-C48 PolarHBondContact O-N 3.29Å; P45-C48 VanDerWaalsContact O-N 3.08Å; P45-Y49 HydrophobicContact CB-CD2 4.19Å; P45-Y49 HydrophobicContact CB-CE2 3.76Å; P45-Y49 HydrophobicContact CG-CE2 4Å; P45-Y49 WeakPolarHBondContact O-CD2 3.41Å; P45-Y49 PolarHBondContact O-N 3.41Å
46L98.4Very high98.2Very high44 Ų4427.2 Ų27.223%0.2314%0.142CC..Hα-helixtrans-59.8-40.1-175.4-77.1175.9000113.1S43 T44 C48 Y49 K50 F88 N92S43-L46 WeakPolarHBondContact O-CB 3.43Å; S43-L46 PolarHBondContact O-N 3.2Å; T44-L46 VanDerWaalsContact C-N 3.31Å; T44-L46 PolarHBondContact O-N 3.1Å; L46-C48 VanDerWaalsContact C-N 3.31Å; L46-Y49 PolarHBondContact O-N 2.71Å; L46-K50 WeakPolarHBondContact O-CG 3.45Å; L46-K50 PolarHBondContact O-N 2.96Å; L46-F88 HydrophobicContact CD2-CE1 4.45Å; L46-F88 HydrophobicContact CD2-CE2 3.76Å; L46-F88 HydrophobicContact CD2-CZ 3.48Å; L46-F88 VanDerWaalsContact CD2-CZ 3.48Å; L46-F88 HydrophobicContact CG-CE2 4.26Å; L46-F88 HydrophobicContact CG-CZ 4.01Å; L46-N92 HydrophobicContact CD2-CB 3.85Å
47G98.7Very high98.1Very high8 Ų833.6 Ų33.68%0.08217%0.169CC..Hα-helixtrans-64.1-39.5176.800000111.6Y9 P45 K50 K51Y9-G47 WeakPolarHBondContact OH-CA 3.43Å; Y9-G47 PolarHBondContact OH-N 3.25Å; P45-G47 VanDerWaalsContact C-N 3.32Å; P45-G47 PolarHBondContact O-N 3.5Å; G47-K50 PolarHBondContact O-N 2.81Å; G47-K51 WeakPolarHBondContact O-CG 3.26Å; G47-K51 PolarHBondContact O-N 3.02Å; G47-K51 VanDerWaalsContact O-N 3.1Å
48C98.9Very high98.1Very high5 Ų539 Ų393%0.03420%0.198CC..Hα-helixtrans-62.8-47.4175.2-173.70000111.4P45 L46 K50 K51 L52 L202P45-C48 WeakPolarHBondContact O-CB 3.35Å; P45-C48 PolarHBondContact O-N 3.29Å; P45-C48 VanDerWaalsContact O-N 3.08Å; L46-C48 VanDerWaalsContact C-N 3.31Å; C48-K50 PolarHBondContact O-N 2.9Å; C48-K51 PolarHBondContact O-N 3.36Å; C48-L52 WeakPolarHBondContact O-CG 3.33Å; C48-L52 PolarHBondContact O-N 2.74Å; C48-L202 HydrophobicContact CB-CD2 4.44Å
49Y98.9Very high98Very high5 Ų542.1 Ų42.12%0.0223%0.23CC..Hα-helixtrans-61-42.2176.6-68.2-47.4000112.7L39 P40 P45 L46 K51 L52 I53 F88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.3Å; L39-Y49 HydrophobicContact CD2-CE1 4Å; P40-Y49 PolarHBondContact O-OH 2.91Å; P45-Y49 HydrophobicContact CB-CD2 4.19Å; P45-Y49 HydrophobicContact CB-CE2 3.76Å; P45-Y49 HydrophobicContact CG-CE2 4Å; P45-Y49 WeakPolarHBondContact O-CD2 3.41Å; P45-Y49 PolarHBondContact O-N 3.41Å; L46-Y49 PolarHBondContact O-N 2.71Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 2.84Å; Y49-L52 HydrophobicContact CD1-CD1 4.45Å; Y49-L52 PolarHBondContact O-N 2.66Å; Y49-I53 VanDerWaalsContact O-CG1 3.27Å; Y49-I53 WeakPolarHBondContact O-CG1 3.5Å; Y49-I53 PolarHBondContact O-N 3.25Å; Y49-F88 HydrophobicContact CD2-CE1 4.45Å; Y49-F88 HydrophobicContact CE2-CE1 4.03Å; Y49-M89 HydrophobicContact CE1-CE 4.31Å; Y49-M89 HydrophobicContact CE2-SD 4.29Å; Y49-F93 HydrophobicContact CD1-CB 3.98Å; Y49-F93 AromaticContact CD1-CD1 3.7Å; Y49-F93 HydrophobicContact CD1-CD1 3.7Å; Y49-F93 AromaticContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 AromaticContact CD1-CE2 3.98Å; Y49-F93 HydrophobicContact CD1-CE2 3.98Å; Y49-F93 AromaticContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CG 3.5Å; Y49-F93 VanDerWaalsContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CZ 4.16Å; Y49-F93 HydrophobicContact CE1-CB 4.42Å; Y49-F93 AromaticContact CE1-CD1 3.69Å; Y49-F93 HydrophobicContact CE1-CD1 3.69Å; Y49-F93 HydrophobicContact CE1-CD2 4.45Å; Y49-F93 AromaticContact CE1-CE1 3.98Å; Y49-F93 HydrophobicContact CE1-CE1 3.98Å; Y49-F93 AromaticContact CE1-CG 3.96Å; Y49-F93 HydrophobicContact CE1-CG 3.96Å; Y49-F93 HydrophobicContact CE1-CZ 4.48Å; Y49-F93 HydrophobicContact CG-CB 4.12Å; Y49-F93 HydrophobicContact CG-CD2 4.18Å; Y49-F93 HydrophobicContact CG-CG 4.09Å
50K98.9Very high98Very high132 Ų13244.2 Ų44.257%0.57424%0.24SC*.Hα-helixtrans-57.2-45.9174.9-74.2174.2-179.3-179.60111.6L46 G47 C48 I53 E54L46-K50 WeakPolarHBondContact O-CG 3.45Å; L46-K50 PolarHBondContact O-N 2.96Å; G47-K50 PolarHBondContact O-N 2.81Å; C48-K50 PolarHBondContact O-N 2.9Å; K50-I53 PolarHBondContact O-N 3.36Å; K50-E54 WeakPolarHBondContact O-CG 3.34Å; K50-E54 PolarHBondContact O-N 2.92Å
51K98.8Very high97.9Very high58 Ų5844.2 Ų44.225%0.25224%0.239SC..Hα-helixtrans-66.2-39.4177.8-71.4-72.1166-157.50112.9E14 A17 G47 C48 Y49 I53 E54 Y55E14-K51 HydrophobicContact CB-CD 4.47Å; E14-K51 HydrophobicContact CB-CG 4.4Å; E14-K51 HydrophobicContact CG-CD 4.18Å; E14-K51 HydrophobicContact CG-CG 4.49Å; A17-K51 HydrophobicContact CB-CB 3.44Å; A17-K51 VanDerWaalsContact CB-CB 3.44Å; A17-K51 HydrophobicContact CB-CG 4.47Å; G47-K51 WeakPolarHBondContact O-CG 3.26Å; G47-K51 PolarHBondContact O-N 3.02Å; G47-K51 VanDerWaalsContact O-N 3.1Å; C48-K51 PolarHBondContact O-N 3.36Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 2.84Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 3.22Å; K51-E54 WeakPolarHBondContact CD-OE2 3.49Å; K51-E54 IonicContact NZ-OE1 2.73Å; K51-E54 IonicContact NZ-OE2 2.79Å; K51-E54 PolarHBondContact NZ-OE2 2.97Å; K51-E54 WeakPolarHBondContact O-CB 3.38Å; K51-E54 PolarHBondContact O-N 3.48Å; K51-Y55 HydrophobicContact CB-CE2 4.37Å; K51-Y55 VanDerWaalsContact O-CD2 3.29Å; K51-Y55 WeakPolarHBondContact O-CD2 3.26Å; K51-Y55 VanDerWaalsContact O-CG 3.24Å; K51-Y55 PolarHBondContact O-N 3.19Å
52L98.9Very high98Very high0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-63.3-38.9173.9-70.3173.7000112.2A17 I20 C48 Y49 Y55 Y56 I61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.17Å; A17-L52 HydrophobicContact CB-CG 4.09Å; I20-L52 HydrophobicContact CB-CD2 4.14Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.19Å; I20-L52 HydrophobicContact CG2-CD2 3.96Å; C48-L52 WeakPolarHBondContact O-CG 3.33Å; C48-L52 PolarHBondContact O-N 2.74Å; Y49-L52 HydrophobicContact CD1-CD1 4.45Å; Y49-L52 PolarHBondContact O-N 2.66Å; L52-Y55 HydrophobicContact CD2-CD2 4.47Å; L52-Y55 PolarHBondContact O-N 3.19Å; L52-Y56 PolarHBondContact O-N 3.28Å; L52-I61 HydrophobicContact CD2-CD1 3.94Å; L52-F63 HydrophobicContact CB-CZ 4.24Å; L52-F63 HydrophobicContact CD2-CZ 4.38Å; L52-F93 HydrophobicContact CB-CE2 3.85Å; L52-F93 HydrophobicContact CB-CZ 4.39Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.03Å
53I98.9Very high98.2Very high16 Ų1644.5 Ų44.58%0.08224%0.238CC..Hα-helixtrans-64.4-42.8173.7-68.1163.7000110.9Y49 K50 K51 Y56 K57 N92 F93 H96 I97Y49-I53 VanDerWaalsContact O-CG1 3.27Å; Y49-I53 WeakPolarHBondContact O-CG1 3.5Å; Y49-I53 PolarHBondContact O-N 3.25Å; K50-I53 PolarHBondContact O-N 3.36Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 3.22Å; I53-Y56 PolarHBondContact O-N 3.32Å; I53-K57 HydrophobicContact CG2-CD 3.94Å; I53-K57 HydrophobicContact CG2-CG 4.36Å; I53-K57 WeakPolarHBondContact O-CB 3.25Å; I53-K57 WeakPolarHBondContact O-CG 3.31Å; I53-K57 PolarHBondContact O-N 2.74Å; I53-N92 WeakPolarHBondContact CD1-O 3.39Å; I53-F93 HydrophobicContact CD1-CD2 4.35Å; I53-F93 HydrophobicContact CG1-CD2 4.06Å; I53-F93 HydrophobicContact CG1-CE2 4.46Å; I53-H96 HydrophobicContact CD1-CB 3.7Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.92Å; I53-I97 HydrophobicContact CG1-CG2 4.12Å
54E98.8Very high98.4Very high82 Ų8245.2 Ų45.238%0.38324%0.236SC..Hα-helixtrans-57.7-49174.5-72.9169.5-154.600110.9K50 K51 Y56 K57 N58K50-E54 WeakPolarHBondContact O-CG 3.34Å; K50-E54 PolarHBondContact O-N 2.92Å; K51-E54 WeakPolarHBondContact CD-OE2 3.49Å; K51-E54 IonicContact NZ-OE1 2.73Å; K51-E54 IonicContact NZ-OE2 2.79Å; K51-E54 PolarHBondContact NZ-OE2 2.97Å; K51-E54 WeakPolarHBondContact O-CB 3.38Å; K51-E54 PolarHBondContact O-N 3.48Å; E54-Y56 VanDerWaalsContact C-N 3.34Å; E54-Y56 PolarHBondContact O-N 3.15Å; E54-K57 PolarHBondContact O-N 2.55Å; E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 PolarHBondContact O-N 3.01Å; E54-N58 PolarHBondContact O-ND2 2.8Å; E54-N58 PolarHBondContact O-OD1 3.14Å
55Y98.7Very high98.5Very high13 Ų1346.7 Ų46.75%0.05124%0.241CC..Hα-helixtrans-61.5-40.1177.8-61-29.1000112.7A17 K18 R21 K51 L52 N58 G59 E60A17-Y55 HydrophobicContact CB-CE2 3.88Å; K18-Y55 WeakPolarHBondContact CE-OH 3.18Å; K18-Y55 HydrophobicContact CG-CE2 4.25Å; K18-Y55 VanDerWaalsContact CG-OH 3.31Å; K18-Y55 WeakPolarHBondContact CG-OH 3.43Å; R21-Y55 HydrophobicContact CB-CD2 4.24Å; K51-Y55 HydrophobicContact CB-CE2 4.37Å; K51-Y55 VanDerWaalsContact O-CD2 3.29Å; K51-Y55 WeakPolarHBondContact O-CD2 3.26Å; K51-Y55 VanDerWaalsContact O-CG 3.24Å; K51-Y55 PolarHBondContact O-N 3.19Å; L52-Y55 HydrophobicContact CD2-CD2 4.47Å; L52-Y55 PolarHBondContact O-N 3.19Å; Y55-N58 PolarHBondContact O-N 3.38Å; Y55-G59 PolarHBondContact O-N 3.41Å; Y55-E60 WeakPolarHBondContact CD1-OE2 3.43Å; Y55-E60 WeakPolarHBondContact O-CB 3.45Å; Y55-E60 PolarHBondContact O-N 3.24Å
56Y98.8Very high98.6Very high73 Ų7346.2 Ų46.229%0.28624%0.238SC..Hα-helixtrans-62.5-48.9174.3165.9-106.8000111.7L52 I53 E54 N58 G59 H96 I97 D98L52-Y56 PolarHBondContact O-N 3.28Å; I53-Y56 PolarHBondContact O-N 3.32Å; E54-Y56 VanDerWaalsContact C-N 3.34Å; E54-Y56 PolarHBondContact O-N 3.15Å; Y56-N58 PolarHBondContact O-N 2.84Å; Y56-G59 PolarHBondContact O-N 3.24Å; Y56-H96 VanDerWaalsContact CD1-O 3.23Å; Y56-H96 WeakPolarHBondContact CD1-O 3.23Å; Y56-H96 WeakPolarHBondContact CE1-O 3.21Å; Y56-I97 HydrophobicContact CD1-CB 4.24Å; Y56-I97 HydrophobicContact CD1-CG2 4Å; Y56-I97 HydrophobicContact CG-CB 4.32Å; Y56-I97 HydrophobicContact CG-CG2 4.06Å; Y56-D98 HydrophobicContact CE2-CB 3.62Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.31Å
57K98.5Very high98.6Very high142 Ų14246.4 Ų46.462%0.61724%0.237SC*.Hα-helixtrans-62.4-29.7179.6-73.8177.5178.5176.70112.9I53 E54 G59I53-K57 HydrophobicContact CG2-CD 3.94Å; I53-K57 HydrophobicContact CG2-CG 4.36Å; I53-K57 WeakPolarHBondContact O-CB 3.25Å; I53-K57 WeakPolarHBondContact O-CG 3.31Å; I53-K57 PolarHBondContact O-N 2.74Å; E54-K57 PolarHBondContact O-N 2.55Å; K57-G59 VanDerWaalsContact C-N 3.25Å; K57-G59 PolarHBondContact O-N 2.97Å
58N98.1Very high98.6Very high112 Ų11246 Ų4660%0.59923%0.233SC*.THydrogen-bonded Turntrans-80.2-2.7174.3-66.5-10000113.5E54 Y55 Y56 E60E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 PolarHBondContact O-N 3.01Å; E54-N58 PolarHBondContact O-ND2 2.8Å; E54-N58 PolarHBondContact O-OD1 3.14Å; Y55-N58 PolarHBondContact O-N 3.38Å; Y56-N58 PolarHBondContact O-N 2.84Å; N58-E60 VanDerWaalsContact C-N 3.3Å; N58-E60 HydrophobicContact CB-CG 3.89Å; N58-E60 VanDerWaalsContact CB-OE1 3.3Å; N58-E60 WeakPolarHBondContact CB-OE1 3.49Å; N58-E60 PolarHBondContact ND2-OE1 3.41Å; N58-E60 PolarHBondContact O-N 3.23Å
59G97.6Very high98.6Very high66 Ų6645.9 Ų45.968%0.6823%0.232SC*.THydrogen-bonded Turntrans73.119.6-177.300000114.1Y55 Y56 K57Y55-G59 PolarHBondContact O-N 3.41Å; Y56-G59 PolarHBondContact O-N 3.24Å; K57-G59 VanDerWaalsContact C-N 3.25Å; K57-G59 PolarHBondContact O-N 2.97Å
60E97Very high98.6Very high46 Ų4645.6 Ų45.622%0.21523%0.231CC..SBendtrans-85-23.4-178.1-60.3173.4-138.800112.8R21 Y55 N58R21-E60 IonicContact CZ-OE2 2.62Å; R21-E60 IonicContact NH1-OE2 3.56Å; R21-E60 PolarHBondContact NH1-OE2 3.3Å; Y55-E60 WeakPolarHBondContact CD1-OE2 3.43Å; Y55-E60 WeakPolarHBondContact O-CB 3.45Å; Y55-E60 PolarHBondContact O-N 3.24Å; N58-E60 VanDerWaalsContact C-N 3.3Å; N58-E60 HydrophobicContact CB-CG 3.89Å; N58-E60 VanDerWaalsContact CB-OE1 3.3Å; N58-E60 WeakPolarHBondContact CB-OE1 3.49Å; N58-E60 PolarHBondContact ND2-OE1 3.41Å; N58-E60 PolarHBondContact O-N 3.23Å
61I98.1Very high98.6Very high9 Ų939.5 Ų39.55%0.04620%0.204CC..  trans-144.7158.8177.959.8-179.8000111.7R21 L25 L52 F63R21-I61 HydrophobicContact CB-CG2 3.76Å; R21-I61 HydrophobicContact CG-CG2 3.29Å; L25-I61 HydrophobicContact CD1-CG2 4.28Å; L25-I61 HydrophobicContact CD2-CG2 4.32Å; L25-I61 HydrophobicContact CG-CG2 4.18Å; L52-I61 HydrophobicContact CD2-CD1 3.94Å; I61-F63 HydrophobicContact CD1-CE2 3.47Å; I61-F63 VanDerWaalsContact CD1-CE2 3.47Å; I61-F63 HydrophobicContact CD1-CZ 3.54Å; I61-F63 HydrophobicContact CG1-CE2 3.92Å; I61-F63 HydrophobicContact CG1-CZ 4.43Å
62S98.6Very high98.5Very high48 Ų4837.1 Ų37.134%0.33619%0.194SC..  trans-133.1147.4170.1164.90000109.5E64 D98S62-E64 WeakPolarHBondContact OG-CB 3.42Å; S62-E64 PolarHBondContact OG-N 3.08Å; S62-D98 WeakPolarHBondContact CB-OD2 3.46Å; S62-D98 PolarHBondContact OG-OD2 2.98Å
63F98.8Very high98.5Very high0 Ų037.2 Ų37.20%020%0.195CC..  trans-109.48.1176.6-64.5-91.6000112.7I24 L52 I61 F65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.36Å; I24-F63 HydrophobicContact CD1-CE1 3.86Å; L52-F63 HydrophobicContact CB-CZ 4.24Å; L52-F63 HydrophobicContact CD2-CZ 4.38Å; I61-F63 HydrophobicContact CD1-CE2 3.47Å; I61-F63 VanDerWaalsContact CD1-CE2 3.47Å; I61-F63 HydrophobicContact CD1-CZ 3.54Å; I61-F63 HydrophobicContact CG1-CE2 3.92Å; I61-F63 HydrophobicContact CG1-CZ 4.43Å; F63-F65 PolarHBondContact O-N 3.11Å; F63-V66 HydrophobicContact CB-CB 4.24Å; F63-V66 HydrophobicContact CB-CG2 4.28Å; F63-V66 HydrophobicContact CD1-CB 4.13Å; F63-V66 HydrophobicContact CD1-CG1 4.19Å; F63-V66 HydrophobicContact CD1-CG2 3.95Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 WeakPolarHBondContact O-CB 3.36Å; F63-V66 PolarHBondContact O-N 2.99Å; F63-F93 HydrophobicContact CD1-CZ 4.39Å; F63-F93 AromaticContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE2-CZ 4.4Å; F63-F93 HydrophobicContact CZ-CE2 4.21Å; F63-F93 AromaticContact CZ-CZ 3.75Å; F63-F93 HydrophobicContact CZ-CZ 3.75Å; F63-I97 HydrophobicContact CB-CD1 3.99Å; F63-I97 HydrophobicContact CD1-CD1 4.06Å; F63-I97 HydrophobicContact CD2-CB 3.84Å; F63-I97 HydrophobicContact CD2-CD1 3.79Å; F63-I97 HydrophobicContact CD2-CG1 4.38Å; F63-I97 HydrophobicContact CD2-CG2 3.99Å; F63-I97 HydrophobicContact CE2-CB 4.33Å; F63-I97 HydrophobicContact CE2-CD1 4.24Å; F63-I97 HydrophobicContact CE2-CG2 3.96Å; F63-I97 HydrophobicContact CG-CB 4.47Å; F63-I97 HydrophobicContact CG-CD1 3.68Å; F63-D98 WeakPolarHBondContact CA-OD1 3.33Å; F63-D98 WeakPolarHBondContact CB-OD1 3.42Å; F63-D98 PolarHBondContact N-OD1 3.1Å; F63-I99 HydrophobicContact CB-CB 3.95Å
64E98.6Very high98.5Very high71 Ų7136.6 Ų36.633%0.33219%0.192SC..THydrogen-bonded Turntrans-54.1-40.5-178.7-177.2179-176.700112.4S62 R100S62-E64 WeakPolarHBondContact OG-CB 3.42Å; S62-E64 PolarHBondContact OG-N 3.08Å; E64-R100 IonicContact OE1-CZ 3.19Å; E64-R100 IonicContact OE1-NE 3.38Å; E64-R100 IonicContact OE1-NH2 2.65Å; E64-R100 PolarHBondContact OE1-NH2 3.13Å
65F98.8Very high98.4Very high41 Ų4133.9 Ų33.918%0.1818%0.18CC..THydrogen-bonded Turntrans-106.929.8178.8-57.5-66.2000112.9P29 P31 F34 F35 F63P29-F65 HydrophobicContact CB-CB 3.76Å; P29-F65 WeakPolarHBondContact CB-O 3.39Å; P29-F65 HydrophobicContact CG-CB 4.27Å; P31-F65 HydrophobicContact CB-CE1 4.06Å; P31-F65 HydrophobicContact CG-CE1 3.65Å; P31-F65 HydrophobicContact CG-CZ 3.69Å; F34-F65 VanDerWaalsContact CA-O 3.32Å; F34-F65 WeakPolarHBondContact CA-O 3.35Å; F34-F65 VanDerWaalsContact CD1-C 3.46Å; F34-F65 HydrophobicContact CD1-CB 4.3Å; F34-F65 WeakPolarHBondContact CD1-O 3.36Å; F34-F65 HydrophobicContact CE1-CB 4.37Å; F34-F65 HydrophobicContact CE1-CD1 4.08Å; F34-F65 HydrophobicContact CZ-CD1 4.15Å; F35-F65 PolarHBondContact N-O 3.18Å; F63-F65 PolarHBondContact O-N 3.11Å
66V98.9Very high98.3Very high0 Ų035.9 Ų35.90%021%0.205CC..EExtended strand (participates in β ladder)trans-104.8136.7172.3177.80000109.4I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.21Å; I24-V66 HydrophobicContact CG2-CG2 4.3Å; F35-V66 HydrophobicContact CB-CG2 4.31Å; F35-V66 CarbonylContact O-C 3.54Å; F35-V66 WeakPolarHBondContact O-CA 3.3Å; L37-V66 HydrophobicContact CB-CG1 4.14Å; L37-V66 HydrophobicContact CD2-CG1 4.47Å; F63-V66 HydrophobicContact CB-CB 4.24Å; F63-V66 HydrophobicContact CB-CG2 4.28Å; F63-V66 HydrophobicContact CD1-CB 4.13Å; F63-V66 HydrophobicContact CD1-CG1 4.19Å; F63-V66 HydrophobicContact CD1-CG2 3.95Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 WeakPolarHBondContact O-CB 3.36Å; F63-V66 PolarHBondContact O-N 2.99Å; V66-T68 HydrophobicContact CG1-CG2 4.11Å; V66-N103 WeakPolarHBondContact O-CB 3.36Å
67K98.9Very high98.2Very high48 Ų4833.1 Ų33.121%0.20920%0.195CC..EExtended strand (participates in β ladder)trans-109.4129.6167-73.6-179.4177.1-172.90109.4F34 F35 T36 L37 F69 N103 A128F34-K67 HydrophobicContact CB-CD 4.22Å; F34-K67 HydrophobicContact CB-CG 4.19Å; F34-K67 HydrophobicContact CD1-CD 4.31Å; F34-K67 HydrophobicContact CD1-CG 3.83Å; F34-K67 HydrophobicContact CG-CD 4.2Å; F34-K67 HydrophobicContact CG-CG 4.15Å; F35-K67 PolarHBondContact O-N 3.06Å; T36-K67 CarbonylContact C-O 3.57Å; T36-K67 WeakPolarHBondContact CA-O 3.27Å; T36-K67 HydrophobicContact CG2-CB 4.2Å; L37-K67 PolarHBondContact N-O 2.86Å; K67-F69 HydrophobicContact CB-CE2 4.09Å; K67-N103 CarbonylContact C-O 3.52Å; K67-N103 VanDerWaalsContact CA-O 3.26Å; K67-N103 WeakPolarHBondContact CA-O 3.41Å; K67-N103 WeakPolarHBondContact CE-OD1 3.42Å; K67-N103 HydrophobicContact CG-CB 3.84Å; K67-A128 HydrophobicContact CD-CB 4.15Å
68T98.9Very high98.2Very high0 Ų029.4 Ų29.40%019%0.186CC..EExtended strand (participates in β ladder)trans-108.4145179.558.90000111.8L37 L39 V66 F94 I99 N103 A104 H105L37-T68 HydrophobicContact CB-CG2 4.39Å; L37-T68 CarbonylContact O-C 3.58Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.19Å; L39-T68 HydrophobicContact CD1-CG2 3.56Å; L39-T68 HydrophobicContact CG-CG2 4.39Å; V66-T68 HydrophobicContact CG1-CG2 4.11Å; T68-F94 HydrophobicContact CG2-CE1 4.2Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.48Å; T68-I99 HydrophobicContact CG2-CD1 3.55Å; T68-N103 PolarHBondContact N-O 2.91Å; T68-A104 WeakPolarHBondContact OG1-CA 3.19Å; T68-H105 WeakPolarHBondContact O-CA 3.25Å; T68-H105 VanDerWaalsContact O-CB 3.31Å; T68-H105 WeakPolarHBondContact O-CB 3.44Å; T68-H105 PolarHBondContact O-CD2 3.4Å; T68-H105 VanDerWaalsContact O-CD2 3.29Å; T68-H105 PolarHBondContact O-N 3.06Å
69F98.9Very high98.1Very high1 Ų130 Ų300%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-132.2108.6175.8-66.1-92.5000109T36 L37 G38 L39 K67 H105 F121 K124 I125 A128 I131T36-F69 HydrophobicContact CG2-CE2 4.22Å; L37-F69 PolarHBondContact O-N 3.32Å; G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.44Å; L39-F69 PolarHBondContact N-O 3.24Å; K67-F69 HydrophobicContact CB-CE2 4.09Å; F69-H105 WeakPolarHBondContact CA-O 3.47Å; F69-H105 HydrophobicContact CD1-CB 3.71Å; F69-H105 AromaticContact CD1-CD2 3.88Å; F69-H105 HydrophobicContact CE1-CB 3.92Å; F69-H105 AromaticContact CE1-CD2 3.37Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.33Å; F69-H105 AromaticContact CE1-CG 3.77Å; F69-H105 AromaticContact CE2-CD2 3.88Å; F69-H105 HydrophobicContact CG-CB 4.37Å; F69-H105 AromaticContact CZ-CD2 3.37Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.29Å; F69-H105 AromaticContact CZ-NE2 3.95Å; F69-F121 HydrophobicContact CB-CE1 4.37Å; F69-F121 HydrophobicContact CB-CZ 4.07Å; F69-F121 HydrophobicContact CD1-CE1 4.21Å; F69-F121 HydrophobicContact CD1-CE2 4.36Å; F69-F121 AromaticContact CD1-CZ 3.91Å; F69-F121 HydrophobicContact CD1-CZ 3.91Å; F69-K124 HydrophobicContact CE1-CB 4.04Å; F69-I125 HydrophobicContact CD1-CD1 4.31Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.64Å; F69-I125 HydrophobicContact CG-CG1 3.98Å; F69-I125 HydrophobicContact CZ-CG1 4.29Å; F69-A128 HydrophobicContact CE2-CB 4.06Å; F69-A128 HydrophobicContact CZ-CB 3.81Å; F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.44Å; F69-I131 VanDerWaalsContact CD2-CD1 3.44Å; F69-I131 HydrophobicContact CE2-CD1 4.04Å; F69-I131 HydrophobicContact CG-CD1 3.89Å
70N98.9Very high98.1Very high0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-74.6149.5176.7-86.778.7000112L39 D72 M89 H105 I106 F121L39-N70 WeakPolarHBondContact O-CA 3.32Å; L39-N70 PolarHBondContact O-ND2 3.45Å; N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 3.4Å; N70-M89 WeakPolarHBondContact ND2-CG 3.38Å; N70-M89 PolarHBondContact ND2-SD 3.49Å; N70-H105 PolarHBondContact N-O 2.88Å; N70-I106 HydrophobicContact CB-CB 4.33Å; N70-I106 HydrophobicContact CB-CG1 3.92Å; N70-I106 HydrophobicContact CB-CG2 4.19Å; N70-F121 WeakPolarHBondContact O-CZ 3.35Å
71M98.3Very high98.1Very high4 Ų434 Ų342%0.0218%0.184CC..SBendtrans-66.4-33.3-176.6-68.9175.1102.500114L39 P40 F134 I144 A145 T187 V188 V193L39-M71 WeakPolarHBondContact O-CG 3.44Å; L39-M71 PolarHBondContact O-N 2.92Å; L39-M71 VanDerWaalsContact O-N 3.12Å; P40-M71 HydrophobicContact CB-SD 3.69Å; M71-F134 HydrophobicContact CE-CD1 4.42Å; M71-F134 HydrophobicContact CE-CE1 3.84Å; M71-F134 HydrophobicContact CG-CE1 3.32Å; M71-F134 HydrophobicContact CG-CZ 3.65Å; M71-F134 HydrophobicContact SD-CE1 3.93Å; M71-I144 HydrophobicContact CE-CD1 3.37Å; M71-I144 HydrophobicContact CE-CG1 3.6Å; M71-A145 HydrophobicContact CB-CB 3.85Å; M71-A145 HydrophobicContact CE-CB 3.91Å; M71-A145 HydrophobicContact CG-CB 4.43Å; M71-T187 CarbonylContact O-C 3.59Å; M71-T187 WeakPolarHBondContact O-CA 3.45Å; M71-V188 HydrophobicContact CB-CG2 4.14Å; M71-V188 HydrophobicContact CG-CG2 4.33Å; M71-V188 WeakPolarHBondContact O-CG2 3.22Å; M71-V188 PolarHBondContact O-N 3.32Å; M71-V193 HydrophobicContact CE-CG2 4.42Å
72D98.2Very high98Very high8 Ų837.7 Ų37.74%0.04321%0.209CC..EExtended strand (participates in β ladder)trans-163.2166.8-165.629.752.9000112.5N70 Y85 A145 F146 L186N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 3.4Å; D72-Y85 HydrophobicContact CB-CD2 4.49Å; D72-Y85 HydrophobicContact CB-CE2 4.44Å; D72-Y85 WeakPolarHBondContact O-CD2 3.45Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.22Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.5Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.31Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.36Å; D72-A145 WeakPolarHBondContact OD2-CB 3.19Å; D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.8Å; D72-F146 PolarHBondContact OD2-N 3.43Å; D72-L186 CarbonylContact C-O 3.47Å; D72-L186 WeakPolarHBondContact CA-O 3.4Å; D72-L186 WeakPolarHBondContact CB-O 3.48Å
73E98.5Very high97.9Very high2 Ų238.4 Ų38.41%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-153.9147.7166.3179.856.7-89.500109.6Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 2.99Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.48Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.41Å; E73-Y85 PolarHBondContact OE2-N 3.46Å; E73-H86 IonicContact OE2-CD2 2.95Å; E73-H86 PolarHBondContact OE2-CD2 2.8Å; E73-H86 IonicContact OE2-CG 3.81Å; E73-H86 PolarHBondContact OE2-N 2.88Å; E73-I106 HydrophobicContact CB-CG2 4.23Å; E73-L107 HydrophobicContact CB-CB 4.16Å; E73-L107 WeakPolarHBondContact CB-O 3.32Å; E73-A185 CarbonylContact O-C 3.59Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.23Å; E73-A185 WeakPolarHBondContact O-CB 3.17Å; E73-L186 PolarHBondContact N-O 2.89Å; E73-L186 PolarHBondContact O-N 3.4Å
74Y97.9Very high97.8Very high3 Ų338.4 Ų38.41%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-67.4138.4174.9-69.8-62.1000112.5L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.86Å; Y74-L77 HydrophobicContact CG-CD2 4.42Å; Y74-Y85 HydrophobicContact CD2-CE1 4.41Å; Y74-Y85 HydrophobicContact CE2-CD1 4.3Å; Y74-Y85 AromaticContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE1 3.74Å; Y74-Y85 AromaticContact CE2-CZ 3.97Å; Y74-G109 WeakPolarHBondContact O-CA 3.44Å; Y74-F146 HydrophobicContact CE1-CE2 4.38Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y74-L162 HydrophobicContact CD1-CD1 4.27Å; Y74-L162 HydrophobicContact CE1-CD1 3.81Å; Y74-N170 PolarHBondContact OH-ND2 3.25Å; Y74-F174 HydrophobicContact CD2-CZ 4.48Å; Y74-F174 HydrophobicContact CE2-CE2 4.36Å; Y74-F174 HydrophobicContact CE2-CZ 4.05Å; Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.83Å; Y74-P182 HydrophobicContact CD2-CG 4.36Å; Y74-P182 HydrophobicContact CE1-CG 4.48Å; Y74-P182 HydrophobicContact CG-CB 4Å; Y74-P182 HydrophobicContact CG-CG 3.74Å
75V98.1Very high97.8Very high24 Ų2436.3 Ų36.315%0.14520%0.197CC..THydrogen-bonded Turntrans-79.4133.9174.2173.60000110.2L77 G109 L114 M184 L186V75-L77 PolarHBondContact O-N 2.98Å; V75-G109 CarbonylContact C-O 3.55Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.36Å; V75-L114 HydrophobicContact CG1-CD1 3.7Å; V75-L114 HydrophobicContact CG1-CD2 4.33Å; V75-L114 HydrophobicContact CG2-CD1 4.07Å; V75-L114 HydrophobicContact CG2-CD2 4.45Å; V75-M184 HydrophobicContact CB-CB 3.99Å; V75-M184 HydrophobicContact CG1-CE 4.22Å; V75-M184 HydrophobicContact CG2-CB 4.13Å; V75-M184 PolarHBondContact N-O 2.92Å; V75-L186 HydrophobicContact CG2-CD2 3.72Å; V75-L186 HydrophobicContact CG2-CG 3.88Å
76G96.4Very high97.8Very high55 Ų5536 Ų3657%0.56720%0.195SC*.THydrogen-bonded Turntrans75.13.9174.300000115.5G109 N110G76-G109 PolarHBondContact N-O 2.92Å; G76-N110 WeakPolarHBondContact CA-OD1 3.19Å
77L96.4Very high97.8Very high16 Ų1636.7 Ų36.78%0.08420%0.2CC..SBendtrans-89.4129.3173.7-166.270.6000109.5Y74 V75 R79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.86Å; Y74-L77 HydrophobicContact CG-CD2 4.42Å; V75-L77 PolarHBondContact O-N 2.98Å; L77-R79 PolarHBondContact O-N 3.14Å; L77-H81 HydrophobicContact CD1-CB 4.25Å; L77-H81 HydrophobicContact CD2-CB 4.26Å; L77-H81 HydrophobicContact CG-CB 3.88Å; L77-N110 PolarHBondContact O-ND2 2.83Å; L77-N110 PolarHBondContact O-OD1 3.49Å; L77-F174 HydrophobicContact CD1-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CE1 4.22Å; L77-F174 HydrophobicContact CD2-CZ 4.25Å; L77-P182 HydrophobicContact CB-CG 4.18Å; L77-P182 HydrophobicContact CD1-CG 4.25Å; L77-P182 HydrophobicContact CD2-CG 4.39Å
78P97.9Very high97.8Very high64 Ų6435.9 Ų35.942%0.41620%0.197SC..  trans-54.8137.3-179.7-25.733.3000112.1N80 H81P78-N80 PolarHBondContact O-N 2.81Å; P78-N80 VanDerWaalsContact O-N 3.09Å; P78-H81 HydrophobicContact CB-CB 4.19Å; P78-H81 WeakPolarHBondContact O-CB 3.28Å; P78-H81 PolarHBondContact O-N 3.5Å
79R97.3Very high97.8Very high124 Ų12435.9 Ų35.947%0.46820%0.197SC..THydrogen-bonded Turntrans-56.1-30.5-178.3178.1174.6-75.51696.1113.8L77 S84 H86 S87 D108L77-R79 PolarHBondContact O-N 3.14Å; R79-S84 PolarHBondContact O-OG 3.12Å; R79-H86 HydrophobicContact CG-CB 3.72Å; R79-H86 PolarHBondContact NE-CE1 2.97Å; R79-S87 PolarHBondContact O-OG 3.17Å; R79-D108 VanDerWaalsContact NH2-CG 3.33Å; R79-D108 IonicContact NH2-OD1 3.91Å; R79-D108 IonicContact NH2-OD2 3.49Å; R79-D108 PolarHBondContact NH2-OD2 2.88Å
80N96.6Very high97.7Very high137 Ų13742.6 Ų42.673%0.73322%0.222SC*.THydrogen-bonded Turntrans-94.43.9178.267-21.9000113.2P78P78-N80 PolarHBondContact O-N 2.81Å; P78-N80 VanDerWaalsContact O-N 3.09Å
81H97.4Very high97.7Very high58 Ų5845.7 Ų45.727%0.26924%0.239SC..SBendtrans-62.9135.1173.5-171.8-83000108.9L77 P78 E83 S84 S87L77-H81 HydrophobicContact CD1-CB 4.25Å; L77-H81 HydrophobicContact CD2-CB 4.26Å; L77-H81 HydrophobicContact CG-CB 3.88Å; P78-H81 HydrophobicContact CB-CB 4.19Å; P78-H81 WeakPolarHBondContact O-CB 3.28Å; P78-H81 PolarHBondContact O-N 3.5Å; H81-E83 PolarHBondContact ND1-N 3.03Å; H81-E83 VanDerWaalsContact ND1-N 3.15Å; H81-E83 PolarHBondContact O-N 3.25Å; H81-E83 VanDerWaalsContact O-N 3.08Å; H81-S84 WeakPolarHBondContact O-CB 3.32Å; H81-S84 PolarHBondContact O-N 3.25Å; H81-S84 PolarHBondContact O-OG 3.33Å; H81-S87 WeakPolarHBondContact O-CB 3.45Å; H81-S87 PolarHBondContact O-OG 3.03Å
82P95.8Very high97.8Very high87 Ų8748.4 Ų48.457%0.56525%0.253SS*.THydrogen-bonded Turntrans-54.1-35-175.119.1-32.5000113.6
83E95.6Very high97.8Very high64 Ų6448 Ų4830%0.29925%0.251SS..THydrogen-bonded Turntrans-90.73.1179.9-53.1-53.1139.400115.2H81 F173 F174H81-E83 PolarHBondContact ND1-N 3.03Å; H81-E83 VanDerWaalsContact ND1-N 3.15Å; H81-E83 PolarHBondContact O-N 3.25Å; H81-E83 VanDerWaalsContact O-N 3.08Å; E83-F173 HydrophobicContact CG-CB 4.2Å; E83-F173 VanDerWaalsContact CG-O 3.3Å; E83-F173 WeakPolarHBondContact CG-O 3.48Å; E83-F173 WeakPolarHBondContact OE2-CB 3.48Å; E83-F174 HydrophobicContact CB-CE1 4.11Å; E83-F174 HydrophobicContact CB-CZ 3.96Å
84S98.1Very high97.8Very high0 Ų048.7 Ų48.70%025%0.254CS..SBendtrans-67.3148.4169.762.90000110.3R79 H81 H86 S87 F88R79-S84 PolarHBondContact O-OG 3.12Å; H81-S84 WeakPolarHBondContact O-CB 3.32Å; H81-S84 PolarHBondContact O-N 3.25Å; H81-S84 PolarHBondContact O-OG 3.33Å; S84-H86 VanDerWaalsContact C-N 3.26Å; S84-H86 PolarHBondContact O-N 3.3Å; S84-S87 PolarHBondContact O-N 3.12Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-S87 WeakPolarHBondContact OG-CB 3.44Å; S84-S87 PolarHBondContact OG-N 3.18Å; S84-S87 PolarHBondContact OG-OG 3.21Å; S84-F88 PolarHBondContact O-N 3.4Å
85Y98.3Very high97.8Very high27 Ų2753 Ų5311%0.10627%0.273CS..Hα-helixtrans-70.6-26.4177.2-69.5-5.5000112T41 D72 E73 Y74 F88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.05Å; T41-Y85 HydrophobicContact CG2-CD2 3.93Å; T41-Y85 HydrophobicContact CG2-CG 3.67Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.19Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.42Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.25Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.37Å; D72-Y85 HydrophobicContact CB-CD2 4.49Å; D72-Y85 HydrophobicContact CB-CE2 4.44Å; D72-Y85 WeakPolarHBondContact O-CD2 3.45Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.22Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.5Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.31Å; E73-Y85 PolarHBondContact OE1-N 2.99Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.48Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.41Å; E73-Y85 PolarHBondContact OE2-N 3.46Å; Y74-Y85 HydrophobicContact CD2-CE1 4.41Å; Y74-Y85 HydrophobicContact CE2-CD1 4.3Å; Y74-Y85 AromaticContact CE2-CE1 3.74Å; Y74-Y85 HydrophobicContact CE2-CE1 3.74Å; Y74-Y85 AromaticContact CE2-CZ 3.97Å; Y85-F88 PolarHBondContact O-N 3.24Å; Y85-M89 WeakPolarHBondContact O-CB 3.39Å; Y85-M89 VanDerWaalsContact O-CG 3.29Å; Y85-M89 WeakPolarHBondContact O-CG 3.26Å; Y85-M89 PolarHBondContact O-N 2.89Å; Y85-F146 AromaticContact CE2-CE2 3.79Å; Y85-F146 HydrophobicContact CE2-CE2 3.79Å; Y85-F146 HydrophobicContact CE2-CZ 4.04Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.34Å
86H98.6Very high97.9Very high34 Ų3455 Ų5516%0.15728%0.28CS..Hα-helixtrans-53.7-53.8162.8-80.7-86.4000112E73 R79 S84 W90 L107E73-H86 IonicContact OE2-CD2 2.95Å; E73-H86 PolarHBondContact OE2-CD2 2.8Å; E73-H86 IonicContact OE2-CG 3.81Å; E73-H86 PolarHBondContact OE2-N 2.88Å; R79-H86 HydrophobicContact CG-CB 3.72Å; R79-H86 PolarHBondContact NE-CE1 2.97Å; S84-H86 VanDerWaalsContact C-N 3.26Å; S84-H86 PolarHBondContact O-N 3.3Å; H86-W90 WeakPolarHBondContact O-CB 3.49Å; H86-W90 PolarHBondContact O-N 3.3Å; H86-L107 PolarHBondContact NE2-O 3.12Å
87S98.4Very high98Very high14 Ų1453.1 Ų53.110%0.09826%0.257CS..Hα-helixtrans-68.2-38.4179.6-69.80000112.5R79 H81 S84 N91R79-S87 PolarHBondContact O-OG 3.17Å; H81-S87 WeakPolarHBondContact O-CB 3.45Å; H81-S87 PolarHBondContact O-OG 3.03Å; S84-S87 PolarHBondContact O-N 3.12Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-S87 WeakPolarHBondContact OG-CB 3.44Å; S84-S87 PolarHBondContact OG-N 3.18Å; S84-S87 PolarHBondContact OG-OG 3.21Å; S87-N91 WeakPolarHBondContact O-CB 3.4Å; S87-N91 VanDerWaalsContact O-CG 3.32Å; S87-N91 PolarHBondContact O-N 3.29Å; S87-N91 PolarHBondContact O-ND2 3.29Å
88F98.6Very high98.1Very high32 Ų3254.4 Ų54.414%0.1426%0.264CS..Hα-helixtrans-57.5-53.5174.7177.8-84.5000111T41 G42 L46 Y49 S84 Y85 N91 N92T41-F88 HydrophobicContact CG2-CD1 3.65Å; T41-F88 HydrophobicContact CG2-CE1 4.09Å; T41-F88 HydrophobicContact CG2-CG 4.32Å; G42-F88 VanDerWaalsContact O-CZ 3.32Å; G42-F88 WeakPolarHBondContact O-CZ 3.19Å; L46-F88 HydrophobicContact CD2-CE1 4.45Å; L46-F88 HydrophobicContact CD2-CE2 3.76Å; L46-F88 HydrophobicContact CD2-CZ 3.48Å; L46-F88 VanDerWaalsContact CD2-CZ 3.48Å; L46-F88 HydrophobicContact CG-CE2 4.26Å; L46-F88 HydrophobicContact CG-CZ 4.01Å; Y49-F88 HydrophobicContact CD2-CE1 4.45Å; Y49-F88 HydrophobicContact CE2-CE1 4.03Å; S84-F88 PolarHBondContact O-N 3.4Å; Y85-F88 PolarHBondContact O-N 3.24Å; F88-N91 PolarHBondContact O-N 2.97Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.38Å; F88-N92 VanDerWaalsContact O-CB 3.27Å; F88-N92 WeakPolarHBondContact O-CB 3.26Å; F88-N92 PolarHBondContact O-N 2.91Å; F88-N92 PolarHBondContact O-ND2 3.4Å
89M98.8Very high98.1Very high0 Ų052.2 Ų52.20%025%0.249CC..Hα-helixtrans-67.1-41.1-175.8-71-56.3-64.200111.8L39 T41 Y49 N70 Y85 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.19Å; L39-M89 HydrophobicContact CD1-CE 3.64Å; T41-M89 HydrophobicContact CG2-CG 4.12Å; T41-M89 HydrophobicContact CG2-SD 3.97Å; Y49-M89 HydrophobicContact CE1-CE 4.31Å; Y49-M89 HydrophobicContact CE2-SD 4.29Å; N70-M89 WeakPolarHBondContact ND2-CG 3.38Å; N70-M89 PolarHBondContact ND2-SD 3.49Å; Y85-M89 WeakPolarHBondContact O-CB 3.39Å; Y85-M89 VanDerWaalsContact O-CG 3.29Å; Y85-M89 WeakPolarHBondContact O-CG 3.26Å; Y85-M89 PolarHBondContact O-N 2.89Å; M89-F93 HydrophobicContact CE-CB 4.45Å; M89-F93 HydrophobicContact CE-CD1 4.04Å; M89-F93 CarbonylContact O-C 3.5Å; M89-F93 WeakPolarHBondContact O-CA 3.28Å; M89-F93 PolarHBondContact O-N 2.98Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.51Å; M89-F94 HydrophobicContact CB-CZ 3.99Å; M89-F94 HydrophobicContact CE-CD1 4.35Å; M89-F94 HydrophobicContact CE-CE1 3.53Å; M89-F94 HydrophobicContact CE-CE2 4.14Å; M89-F94 HydrophobicContact CE-CZ 3.4Å; M89-F94 HydrophobicContact CG-CE2 4.25Å; M89-F94 HydrophobicContact CG-CZ 4.37Å; M89-F94 PolarHBondContact O-N 3.27Å; M89-I106 HydrophobicContact CB-CD1 3.88Å; M89-I106 HydrophobicContact CG-CD1 3.96Å
90W98.6Very high98.2Very high142 Ų14251 Ų5154%0.53825%0.245SC..Hα-helixtrans-59.8-49.9174.7-178.7-111.6000111.7H86 F94 K95H86-W90 WeakPolarHBondContact O-CB 3.49Å; H86-W90 PolarHBondContact O-N 3.3Å; W90-F94 HydrophobicContact CE3-CB 4.03Å; W90-F94 HydrophobicContact CZ3-CB 4.45Å; W90-K95 HydrophobicContact CD2-CB 3.94Å; W90-K95 HydrophobicContact CE3-CB 4.19Å; W90-K95 HydrophobicContact CH2-CB 3.98Å; W90-K95 HydrophobicContact CZ2-CB 3.71Å; W90-K95 HydrophobicContact CZ3-CB 4.2Å; W90-K95 WeakPolarHBondContact O-CB 3.39Å; W90-K95 WeakPolarHBondContact O-CD 3.47Å; W90-K95 WeakPolarHBondContact O-CG 3.47Å; W90-K95 PolarHBondContact O-N 3.35Å
91N98.6Very high98.2Very high65 Ų6548.2 Ų48.235%0.34824%0.24SC..Hα-helixtrans-76.2-31.7-172.6-73.4-46.6000114.2S87 F88 K95 H96S87-N91 WeakPolarHBondContact O-CB 3.4Å; S87-N91 VanDerWaalsContact O-CG 3.32Å; S87-N91 PolarHBondContact O-N 3.29Å; S87-N91 PolarHBondContact O-ND2 3.29Å; F88-N91 PolarHBondContact O-N 2.97Å; N91-K95 WeakPolarHBondContact O-CE 3.32Å; N91-K95 PolarHBondContact OD1-NZ 3.5Å; N91-H96 PolarHBondContact O-NE2 3.13Å
92N98.8Very high98.2Very high61 Ų6151.4 Ų51.433%0.32626%0.255SS..Hα-helixtrans-101.3-13.6-174.4-63.3-69.3000113.6L46 I53 F88L46-N92 HydrophobicContact CD2-CB 3.85Å; I53-N92 WeakPolarHBondContact CD1-O 3.39Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.38Å; F88-N92 VanDerWaalsContact O-CB 3.27Å; F88-N92 WeakPolarHBondContact O-CB 3.26Å; F88-N92 PolarHBondContact O-N 2.91Å; F88-N92 PolarHBondContact O-ND2 3.4Å
93F98.9Very high98.4Very high0 Ų047.9 Ų47.90%023%0.232CC..THydrogen-bonded Turntrans-142.4-68.2-178.2-167.8-137.8000114.1L39 Y49 L52 I53 F63 M89 K95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.15Å; L39-F93 HydrophobicContact CD1-CE1 3.93Å; Y49-F93 HydrophobicContact CD1-CB 3.98Å; Y49-F93 AromaticContact CD1-CD1 3.7Å; Y49-F93 HydrophobicContact CD1-CD1 3.7Å; Y49-F93 AromaticContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 AromaticContact CD1-CE2 3.98Å; Y49-F93 HydrophobicContact CD1-CE2 3.98Å; Y49-F93 AromaticContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CG 3.5Å; Y49-F93 VanDerWaalsContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CZ 4.16Å; Y49-F93 HydrophobicContact CE1-CB 4.42Å; Y49-F93 AromaticContact CE1-CD1 3.69Å; Y49-F93 HydrophobicContact CE1-CD1 3.69Å; Y49-F93 HydrophobicContact CE1-CD2 4.45Å; Y49-F93 AromaticContact CE1-CE1 3.98Å; Y49-F93 HydrophobicContact CE1-CE1 3.98Å; Y49-F93 AromaticContact CE1-CG 3.96Å; Y49-F93 HydrophobicContact CE1-CG 3.96Å; Y49-F93 HydrophobicContact CE1-CZ 4.48Å; Y49-F93 HydrophobicContact CG-CB 4.12Å; Y49-F93 HydrophobicContact CG-CD2 4.18Å; Y49-F93 HydrophobicContact CG-CG 4.09Å; L52-F93 HydrophobicContact CB-CE2 3.85Å; L52-F93 HydrophobicContact CB-CZ 4.39Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.03Å; I53-F93 HydrophobicContact CD1-CD2 4.35Å; I53-F93 HydrophobicContact CG1-CD2 4.06Å; I53-F93 HydrophobicContact CG1-CE2 4.46Å; F63-F93 HydrophobicContact CD1-CZ 4.39Å; F63-F93 AromaticContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE2-CZ 4.4Å; F63-F93 HydrophobicContact CZ-CE2 4.21Å; F63-F93 AromaticContact CZ-CZ 3.75Å; F63-F93 HydrophobicContact CZ-CZ 3.75Å; M89-F93 HydrophobicContact CE-CB 4.45Å; M89-F93 HydrophobicContact CE-CD1 4.04Å; M89-F93 CarbonylContact O-C 3.5Å; M89-F93 WeakPolarHBondContact O-CA 3.28Å; M89-F93 PolarHBondContact O-N 2.98Å; F93-K95 PolarHBondContact O-N 3.06Å; F93-H96 WeakPolarHBondContact O-CB 3.41Å; F93-H96 PolarHBondContact O-N 3.34Å; F93-I97 HydrophobicContact CD1-CD1 4.2Å; F93-I97 HydrophobicContact CD2-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CG2 4.41Å; F93-I97 HydrophobicContact CE1-CD1 3.8Å; F93-I97 HydrophobicContact CE2-CD1 3.83Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CG-CD1 4.4Å; F93-I97 HydrophobicContact CZ-CD1 3.59Å
94F98.8Very high98.5Very high15 Ų1546 Ų467%0.06623%0.227CC..G310 helixtrans-60.9-38.7-162.8-60.9-28.5000114.4L39 T68 M89 W90 H96 I97 I99 A104 I106L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.48Å; T68-F94 HydrophobicContact CG2-CE1 4.2Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.48Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.51Å; M89-F94 HydrophobicContact CB-CZ 3.99Å; M89-F94 HydrophobicContact CE-CD1 4.35Å; M89-F94 HydrophobicContact CE-CE1 3.53Å; M89-F94 HydrophobicContact CE-CE2 4.14Å; M89-F94 HydrophobicContact CE-CZ 3.4Å; M89-F94 HydrophobicContact CG-CE2 4.25Å; M89-F94 HydrophobicContact CG-CZ 4.37Å; M89-F94 PolarHBondContact O-N 3.27Å; W90-F94 HydrophobicContact CE3-CB 4.03Å; W90-F94 HydrophobicContact CZ3-CB 4.45Å; F94-H96 PolarHBondContact O-N 2.86Å; F94-H96 VanDerWaalsContact O-N 3.14Å; F94-I97 WeakPolarHBondContact O-CG1 3.23Å; F94-I97 PolarHBondContact O-N 3.42Å; F94-I99 HydrophobicContact CB-CG2 4.15Å; F94-I99 HydrophobicContact CD1-CG2 4.12Å; F94-I99 HydrophobicContact CG-CG2 4.37Å; F94-A104 HydrophobicContact CD2-CB 4.15Å; F94-A104 HydrophobicContact CE2-CB 3.86Å; F94-A104 HydrophobicContact CZ-CB 4.15Å; F94-I106 HydrophobicContact CE2-CD1 4.02Å; F94-I106 HydrophobicContact CE2-CG1 4.47Å
95K98.6Very high98.6Very high95 Ų9547.7 Ų47.741%0.41324%0.235SC..G310 helixtrans-70.6-7.8179.780.5-172.1179.2-176.30114.6W90 N91 F93W90-K95 HydrophobicContact CD2-CB 3.94Å; W90-K95 HydrophobicContact CE3-CB 4.19Å; W90-K95 HydrophobicContact CH2-CB 3.98Å; W90-K95 HydrophobicContact CZ2-CB 3.71Å; W90-K95 HydrophobicContact CZ3-CB 4.2Å; W90-K95 WeakPolarHBondContact O-CB 3.39Å; W90-K95 WeakPolarHBondContact O-CD 3.47Å; W90-K95 WeakPolarHBondContact O-CG 3.47Å; W90-K95 PolarHBondContact O-N 3.35Å; N91-K95 WeakPolarHBondContact O-CE 3.32Å; N91-K95 PolarHBondContact OD1-NZ 3.5Å; F93-K95 PolarHBondContact O-N 3.06Å
96H98.8Very high98.6Very high64 Ų6447.5 Ų47.530%0.29624%0.235SC..G310 helixtrans-106.70.2-175.1-56.5-76.2000113.5I53 Y56 N91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.7Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.92Å; Y56-H96 VanDerWaalsContact CD1-O 3.23Å; Y56-H96 WeakPolarHBondContact CD1-O 3.23Å; Y56-H96 WeakPolarHBondContact CE1-O 3.21Å; N91-H96 PolarHBondContact O-NE2 3.13Å; F93-H96 WeakPolarHBondContact O-CB 3.41Å; F93-H96 PolarHBondContact O-N 3.34Å; F94-H96 PolarHBondContact O-N 2.86Å; F94-H96 VanDerWaalsContact O-N 3.14Å
97I98.9Very high98.6Very high16 Ų1645.9 Ų45.98%0.08223%0.228CC..SBendtrans-129.8173-177.960.3169.8000110.6I53 Y56 F63 F93 F94 I99I53-I97 HydrophobicContact CG1-CG2 4.12Å; Y56-I97 HydrophobicContact CD1-CB 4.24Å; Y56-I97 HydrophobicContact CD1-CG2 4Å; Y56-I97 HydrophobicContact CG-CB 4.32Å; Y56-I97 HydrophobicContact CG-CG2 4.06Å; F63-I97 HydrophobicContact CB-CD1 3.99Å; F63-I97 HydrophobicContact CD1-CD1 4.06Å; F63-I97 HydrophobicContact CD2-CB 3.84Å; F63-I97 HydrophobicContact CD2-CD1 3.79Å; F63-I97 HydrophobicContact CD2-CG1 4.38Å; F63-I97 HydrophobicContact CD2-CG2 3.99Å; F63-I97 HydrophobicContact CE2-CB 4.33Å; F63-I97 HydrophobicContact CE2-CD1 4.24Å; F63-I97 HydrophobicContact CE2-CG2 3.96Å; F63-I97 HydrophobicContact CG-CB 4.47Å; F63-I97 HydrophobicContact CG-CD1 3.68Å; F93-I97 HydrophobicContact CD1-CD1 4.2Å; F93-I97 HydrophobicContact CD2-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CG2 4.41Å; F93-I97 HydrophobicContact CE1-CD1 3.8Å; F93-I97 HydrophobicContact CE2-CD1 3.83Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CG-CD1 4.4Å; F93-I97 HydrophobicContact CZ-CD1 3.59Å; F94-I97 WeakPolarHBondContact O-CG1 3.23Å; F94-I97 PolarHBondContact O-N 3.42Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 HydrophobicContact CD1-CB 3.87Å; I97-I99 HydrophobicContact CD1-CG2 3.76Å; I97-I99 HydrophobicContact CG1-CB 4.17Å; I97-I99 HydrophobicContact CG1-CG2 3.82Å; I97-I99 PolarHBondContact O-N 3.29Å
98D98.8Very high98.6Very high44 Ų4447.3 Ų47.324%0.23524%0.235CC..  trans-90.320.6-179.862.5-23.3000114.3Y56 S62 F63 R100Y56-D98 HydrophobicContact CE2-CB 3.62Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.31Å; S62-D98 WeakPolarHBondContact CB-OD2 3.46Å; S62-D98 PolarHBondContact OG-OD2 2.98Å; F63-D98 WeakPolarHBondContact CA-OD1 3.33Å; F63-D98 WeakPolarHBondContact CB-OD1 3.42Å; F63-D98 PolarHBondContact N-OD1 3.1Å; D98-R100 PolarHBondContact O-N 2.86Å
99I98.8Very high98.6Very high18 Ų1845.9 Ų45.99%0.09223%0.229CC..  trans-64.7136.8174.3-163.5172.4000110.3F63 T68 F94 I97 A104F63-I99 HydrophobicContact CB-CB 3.95Å; T68-I99 HydrophobicContact CG2-CD1 3.55Å; F94-I99 HydrophobicContact CB-CG2 4.15Å; F94-I99 HydrophobicContact CD1-CG2 4.12Å; F94-I99 HydrophobicContact CG-CG2 4.37Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 HydrophobicContact CD1-CB 3.87Å; I97-I99 HydrophobicContact CD1-CG2 3.76Å; I97-I99 HydrophobicContact CG1-CB 4.17Å; I97-I99 HydrophobicContact CG1-CG2 3.82Å; I97-I99 PolarHBondContact O-N 3.29Å; I99-A104 HydrophobicContact CD1-CB 4.36Å
100R98.3Very high98.6Very high99 Ų9949.3 Ų49.337%0.37425%0.247SC..  trans-77.4136.9174.8-53.4-172.8-177.9-176.5-0.4110.4E64 D98 E102 N103E64-R100 IonicContact OE1-CZ 3.19Å; E64-R100 IonicContact OE1-NE 3.38Å; E64-R100 IonicContact OE1-NH2 2.65Å; E64-R100 PolarHBondContact OE1-NH2 3.13Å; D98-R100 PolarHBondContact O-N 2.86Å; R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 HydrophobicContact CB-CG 4.39Å; R100-E102 WeakPolarHBondContact CB-OE1 3.37Å; R100-E102 WeakPolarHBondContact CD-OE1 3.42Å; R100-E102 PolarHBondContact O-N 3.21Å; R100-N103 WeakPolarHBondContact O-CB 3.27Å; R100-N103 PolarHBondContact O-N 2.95Å
101A97.4Very high98.5Very high78 Ų7843.7 Ų43.765%0.64523%0.231SC*.G310 helixtrans-59.9-37.2-174.100000112.5N103 A104A101-N103 PolarHBondContact O-N 3.26Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-A104 VanDerWaalsContact O-N 3.13Å
102E97.9Very high98.5Very high124 Ų12446.2 Ų46.258%0.57926%0.261SS*.G310 helixtrans-65.6-16.4176.566.1-87.6-159.800114.1R100 H105R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 HydrophobicContact CB-CG 4.39Å; R100-E102 WeakPolarHBondContact CB-OE1 3.37Å; R100-E102 WeakPolarHBondContact CD-OE1 3.42Å; R100-E102 PolarHBondContact O-N 3.21Å; E102-H105 PolarHBondContact O-CE1 2.82Å
103N98.6Very high98.5Very high13 Ų1348 Ų487%0.0727%0.27CS..G310 helixtrans-980.7177.6-70.7-29.4000112.7F34 V66 K67 T68 R100 A101F34-N103 WeakPolarHBondContact CE1-ND2 3.16Å; V66-N103 WeakPolarHBondContact O-CB 3.36Å; K67-N103 CarbonylContact C-O 3.52Å; K67-N103 VanDerWaalsContact CA-O 3.26Å; K67-N103 WeakPolarHBondContact CA-O 3.41Å; K67-N103 WeakPolarHBondContact CE-OD1 3.42Å; K67-N103 HydrophobicContact CG-CB 3.84Å; T68-N103 PolarHBondContact N-O 2.91Å; R100-N103 WeakPolarHBondContact O-CB 3.27Å; R100-N103 PolarHBondContact O-N 2.95Å; A101-N103 PolarHBondContact O-N 3.26Å
104A98.7Very high98.4Very high25 Ų2549.7 Ų49.721%0.20728%0.279CS..EExtended strand (participates in β ladder)trans-103.7106.9177.400000110.8T68 F94 I99 A101T68-A104 WeakPolarHBondContact OG1-CA 3.19Å; F94-A104 HydrophobicContact CD2-CB 4.15Å; F94-A104 HydrophobicContact CE2-CB 3.86Å; F94-A104 HydrophobicContact CZ-CB 4.15Å; I99-A104 HydrophobicContact CD1-CB 4.36Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-A104 VanDerWaalsContact O-N 3.13Å
105H98.9Very high98.4Very high36 Ų3653.6 Ų53.617%0.16730%0.298CS..EExtended strand (participates in β ladder)trans-108.1120.6-174-50.3-67.8000111.3T68 F69 N70 E102 F121T68-H105 WeakPolarHBondContact O-CA 3.25Å; T68-H105 VanDerWaalsContact O-CB 3.31Å; T68-H105 WeakPolarHBondContact O-CB 3.44Å; T68-H105 PolarHBondContact O-CD2 3.4Å; T68-H105 VanDerWaalsContact O-CD2 3.29Å; T68-H105 PolarHBondContact O-N 3.06Å; F69-H105 WeakPolarHBondContact CA-O 3.47Å; F69-H105 HydrophobicContact CD1-CB 3.71Å; F69-H105 AromaticContact CD1-CD2 3.88Å; F69-H105 HydrophobicContact CE1-CB 3.92Å; F69-H105 AromaticContact CE1-CD2 3.37Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.33Å; F69-H105 AromaticContact CE1-CG 3.77Å; F69-H105 AromaticContact CE2-CD2 3.88Å; F69-H105 HydrophobicContact CG-CB 4.37Å; F69-H105 AromaticContact CZ-CD2 3.37Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.29Å; F69-H105 AromaticContact CZ-NE2 3.95Å; N70-H105 PolarHBondContact N-O 2.88Å; E102-H105 PolarHBondContact O-CE1 2.82Å; H105-F121 HydrophobicContact CB-CE2 4Å
106I98.8Very high98.4Very high22 Ų2251.4 Ų51.411%0.11330%0.297CS..  trans-130.2138.6172.9-51.8-177.1000106.8N70 E73 M89 F94N70-I106 HydrophobicContact CB-CB 4.33Å; N70-I106 HydrophobicContact CB-CG1 3.92Å; N70-I106 HydrophobicContact CB-CG2 4.19Å; E73-I106 HydrophobicContact CB-CG2 4.23Å; M89-I106 HydrophobicContact CB-CD1 3.88Å; M89-I106 HydrophobicContact CG-CD1 3.96Å; F94-I106 HydrophobicContact CE2-CD1 4.02Å; F94-I106 HydrophobicContact CE2-CG1 4.47Å
107L98.8Very high98.4Very high0 Ų049.7 Ų49.70%029%0.289CS..  trans-53.1142.4175.3-78.2156.1000111.5E73 H86 G109 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.16Å; E73-L107 WeakPolarHBondContact CB-O 3.32Å; H86-L107 PolarHBondContact NE2-O 3.12Å; L107-G109 PolarHBondContact O-N 2.91Å; L107-E117 HydrophobicContact CD2-CG 4.19Å; L107-F121 HydrophobicContact CD2-CB 3.67Å; L107-F121 HydrophobicContact CD2-CD1 4.23Å; L107-F121 HydrophobicContact CD2-CD2 3.84Å; L107-F121 HydrophobicContact CD2-CG 3.66Å; L107-F121 HydrophobicContact CG-CD1 4.27Å; L107-F121 HydrophobicContact CG-CD2 3.86Å; L107-F121 HydrophobicContact CG-CE1 4.45Å; L107-F121 HydrophobicContact CG-CE2 4.07Å; L107-F121 HydrophobicContact CG-CG 3.97Å; L107-F121 HydrophobicContact CG-CZ 4.36Å; L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; L107-L186 HydrophobicContact CB-CB 3.94Å; L107-L186 HydrophobicContact CB-CD1 4.18Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.16Å; L107-L186 HydrophobicContact CD2-CD1 4.21Å; L107-L186 HydrophobicContact CG-CB 4.17Å
108D98.6Very high98.4Very high45 Ų4549 Ų4924%0.24129%0.285CS..  trans-91.892.6173.3-165.9-3.8000112R79 N110 A111 E117 L186R79-D108 VanDerWaalsContact NH2-CG 3.33Å; R79-D108 IonicContact NH2-OD1 3.91Å; R79-D108 IonicContact NH2-OD2 3.49Å; R79-D108 PolarHBondContact NH2-OD2 2.88Å; D108-N110 PolarHBondContact O-N 3.48Å; D108-N110 PolarHBondContact OD1-N 2.93Å; D108-A111 HydrophobicContact CB-CB 4.34Å; D108-A111 WeakPolarHBondContact O-CB 3.42Å; D108-A111 PolarHBondContact O-N 3.47Å; D108-A111 VanDerWaalsContact O-N 3.09Å; D108-E117 HydrophobicContact CB-CG 4.17Å; D108-E117 PolarHBondContact N-OE1 2.87Å; D108-L186 WeakPolarHBondContact O-CD1 3.3Å
109G98.3Very high98.4Very high1 Ų150 Ų501%0.0130%0.296CS..THydrogen-bonded Turntrans-63.8-6.5176.400000115.3Y74 V75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.44Å; V75-G109 CarbonylContact C-O 3.55Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.36Å; G76-G109 PolarHBondContact N-O 2.92Å; L107-G109 PolarHBondContact O-N 2.91Å
110N98.3Very high98.4Very high73 Ų7351.5 Ų51.539%0.3931%0.308SS..THydrogen-bonded Turntrans-110.413.2175.7-59.1-74.3000112.9G76 L77 D108G76-N110 WeakPolarHBondContact CA-OD1 3.19Å; L77-N110 PolarHBondContact O-ND2 2.83Å; L77-N110 PolarHBondContact O-OD1 3.49Å; D108-N110 PolarHBondContact O-N 3.48Å; D108-N110 PolarHBondContact OD1-N 2.93Å
111A98.1Very high98.4Very high23 Ų2346.8 Ų46.819%0.1929%0.291CS..  trans-60.7143.4175.800000111.3D108 D113 L114 E117D108-A111 HydrophobicContact CB-CB 4.34Å; D108-A111 WeakPolarHBondContact O-CB 3.42Å; D108-A111 PolarHBondContact O-N 3.47Å; D108-A111 VanDerWaalsContact O-N 3.09Å; A111-D113 VanDerWaalsContact C-N 3.3Å; A111-D113 PolarHBondContact O-N 2.69Å; A111-L114 HydrophobicContact CB-CD2 4.41Å; A111-L114 WeakPolarHBondContact O-CD2 3.32Å; A111-E117 HydrophobicContact CB-CB 3.74Å; A111-E117 HydrophobicContact CB-CG 4.17Å
112A97.6Very high98.5Very high118 Ų11844.1 Ų44.198%0.97527%0.265SS*.SBendtrans-65.1-35.5178.400000112.3
113D98.3Very high98.5Very high98 Ų9842.5 Ų42.552%0.52426%0.257SS..SBendtrans-118.2100.5170.8-174.2-24.1000109.1A111 Q115 A116 E117A111-D113 VanDerWaalsContact C-N 3.3Å; A111-D113 PolarHBondContact O-N 2.69Å; D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.35Å; D113-Q115 PolarHBondContact OD1-N 3.49Å; D113-A116 HydrophobicContact CB-CB 3.83Å; D113-A116 VanDerWaalsContact CG-CB 3.49Å; D113-A116 PolarHBondContact O-N 3.03Å; D113-A116 PolarHBondContact OD1-N 2.84Å; D113-E117 PolarHBondContact O-N 3.32Å
114L98.3Very high98.6Very high36 Ų3645.3 Ų45.319%0.18827%0.269CS..Hα-helixtrans-64.4-33.7-177.9-62.2-179.6000112.6V75 A111 E117 C118 V159 L186V75-L114 HydrophobicContact CG1-CD1 3.7Å; V75-L114 HydrophobicContact CG1-CD2 4.33Å; V75-L114 HydrophobicContact CG2-CD1 4.07Å; V75-L114 HydrophobicContact CG2-CD2 4.45Å; A111-L114 HydrophobicContact CB-CD2 4.41Å; A111-L114 WeakPolarHBondContact O-CD2 3.32Å; L114-E117 PolarHBondContact O-N 2.82Å; L114-C118 PolarHBondContact O-N 3.49Å; L114-C118 PolarHBondContact O-SG 3.22Å; L114-V159 HydrophobicContact CB-CG2 3.64Å; L114-V159 HydrophobicContact CD1-CG2 4.02Å; L114-V159 HydrophobicContact CG-CG2 4.5Å; L114-L186 HydrophobicContact CB-CD2 3.95Å; L114-L186 HydrophobicContact CD1-CD2 4.42Å; L114-L186 HydrophobicContact CD2-CD1 4.28Å; L114-L186 HydrophobicContact CD2-CD2 4.16Å; L114-L186 HydrophobicContact CG-CD2 4.39Å
115Q98.2Very high98.6Very high98 Ų9844.7 Ų44.746%0.45826%0.262SS..Hα-helixtrans-75.1-38.7-179-173.856.863.400110.6D113 E117 C118 S119D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.35Å; D113-Q115 PolarHBondContact OD1-N 3.49Å; Q115-E117 VanDerWaalsContact C-N 3.33Å; Q115-C118 PolarHBondContact O-N 3.09Å; Q115-S119 PolarHBondContact O-N 2.82Å; Q115-S119 PolarHBondContact O-OG 3.44Å
116A98.6Very high98.6Very high49 Ų4949.3 Ų49.341%0.40528%0.281SS..Hα-helixtrans-62.2-39.7172.400000111.9D113 S119 S120D113-A116 HydrophobicContact CB-CB 3.83Å; D113-A116 VanDerWaalsContact CG-CB 3.49Å; D113-A116 PolarHBondContact O-N 3.03Å; D113-A116 PolarHBondContact OD1-N 2.84Å; A116-S119 PolarHBondContact O-N 3.25Å; A116-S120 VanDerWaalsContact O-CB 3.32Å; A116-S120 WeakPolarHBondContact O-CB 3.4Å; A116-S120 PolarHBondContact O-N 3.33Å
117E98.8Very high98.5Very high28 Ų2855.8 Ų55.813%0.13131%0.311CS..Hα-helixtrans-60.8-46.1173171.657.4-165.700111.6L107 D108 A111 D113 L114 Q115 S119 S120 F121 L186L107-E117 HydrophobicContact CD2-CG 4.19Å; D108-E117 HydrophobicContact CB-CG 4.17Å; D108-E117 PolarHBondContact N-OE1 2.87Å; A111-E117 HydrophobicContact CB-CB 3.74Å; A111-E117 HydrophobicContact CB-CG 4.17Å; D113-E117 PolarHBondContact O-N 3.32Å; L114-E117 PolarHBondContact O-N 2.82Å; Q115-E117 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 2.9Å; E117-S120 WeakPolarHBondContact O-CB 3.49Å; E117-S120 PolarHBondContact O-N 3.49Å; E117-F121 PolarHBondContact O-N 2.66Å; E117-L186 HydrophobicContact CB-CD1 4.43Å; E117-L186 HydrophobicContact CG-CD1 3.81Å
118C98.8Very high98.5Very high0 Ų056.9 Ų56.90%032%0.32CS..Hα-helixtrans-59.5-43.7175.6-69.30000112.8L114 Q115 F121 E122 T157 R158L114-C118 PolarHBondContact O-N 3.49Å; L114-C118 PolarHBondContact O-SG 3.22Å; Q115-C118 PolarHBondContact O-N 3.09Å; C118-F121 WeakPolarHBondContact O-CB 3.31Å; C118-F121 PolarHBondContact O-N 2.83Å; C118-E122 PolarHBondContact O-N 2.84Å; C118-T157 HydrophobicContact CB-CG2 3.75Å; C118-T157 WeakPolarHBondContact CB-O 3.34Å; C118-R158 VanDerWaalsContact SG-C 3.58Å; C118-R158 VanDerWaalsContact SG-CA 3.53Å
119S98.7Very high98.5Very high65 Ų6557.6 Ų57.646%0.45534%0.338SS..Hα-helixtrans-65.5-40.4176.6-67.60000112.3Q115 A116 E117 F121 E122 E123Q115-S119 PolarHBondContact O-N 2.82Å; Q115-S119 PolarHBondContact O-OG 3.44Å; A116-S119 PolarHBondContact O-N 3.25Å; E117-S119 PolarHBondContact O-N 2.9Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 3.35Å; S119-E122 PolarHBondContact O-N 3.4Å; S119-E123 PolarHBondContact O-N 2.96Å; S119-E123 VanDerWaalsContact O-N 3.1Å
120S98.8Very high98.5Very high50 Ų5058.6 Ų58.635%0.3535%0.349SS..Hα-helixtrans-61.5-39.2174.3-179.30000111.7A116 E117 E122 E123 K124A116-S120 VanDerWaalsContact O-CB 3.32Å; A116-S120 WeakPolarHBondContact O-CB 3.4Å; A116-S120 PolarHBondContact O-N 3.33Å; E117-S120 WeakPolarHBondContact O-CB 3.49Å; E117-S120 PolarHBondContact O-N 3.49Å; S120-E122 PolarHBondContact O-N 3.19Å; S120-E123 PolarHBondContact O-N 2.92Å; S120-K124 WeakPolarHBondContact O-CG 3.49Å; S120-K124 PolarHBondContact O-N 3.12Å
121F98.9Very high98.5Very high1 Ų155.4 Ų55.40%0.00433%0.331CS..Hα-helixtrans-63.4-41.2177.1-160.4-97.7000112.4F69 N70 H105 L107 E117 C118 S119 K124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.37Å; F69-F121 HydrophobicContact CB-CZ 4.07Å; F69-F121 HydrophobicContact CD1-CE1 4.21Å; F69-F121 HydrophobicContact CD1-CE2 4.36Å; F69-F121 AromaticContact CD1-CZ 3.91Å; F69-F121 HydrophobicContact CD1-CZ 3.91Å; N70-F121 WeakPolarHBondContact O-CZ 3.35Å; H105-F121 HydrophobicContact CB-CE2 4Å; L107-F121 HydrophobicContact CD2-CB 3.67Å; L107-F121 HydrophobicContact CD2-CD1 4.23Å; L107-F121 HydrophobicContact CD2-CD2 3.84Å; L107-F121 HydrophobicContact CD2-CG 3.66Å; L107-F121 HydrophobicContact CG-CD1 4.27Å; L107-F121 HydrophobicContact CG-CD2 3.86Å; L107-F121 HydrophobicContact CG-CE1 4.45Å; L107-F121 HydrophobicContact CG-CE2 4.07Å; L107-F121 HydrophobicContact CG-CG 3.97Å; L107-F121 HydrophobicContact CG-CZ 4.36Å; E117-F121 PolarHBondContact O-N 2.66Å; C118-F121 WeakPolarHBondContact O-CB 3.31Å; C118-F121 PolarHBondContact O-N 2.83Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 3.35Å; F121-K124 PolarHBondContact O-N 2.86Å; F121-I125 HydrophobicContact CD1-CD1 3.86Å; F121-I125 HydrophobicContact CD1-CG1 4.48Å; F121-I125 HydrophobicContact CE1-CD1 3.85Å; F121-I125 HydrophobicContact CE1-CG1 4.45Å; F121-I125 WeakPolarHBondContact O-CG1 3.05Å; F121-I125 PolarHBondContact O-N 3.02Å; F121-I125 VanDerWaalsContact O-N 3.1Å; F121-T157 HydrophobicContact CB-CG2 4.46Å; F121-T157 HydrophobicContact CD1-CG2 4.42Å; F121-V188 HydrophobicContact CD1-CG1 4.26Å; F121-V188 HydrophobicContact CE1-CG1 3.83Å
122E98.9Very high98.6Very high22 Ų2255.8 Ų55.810%0.10333%0.329CS..Hα-helixtrans-63.9-42.7174.9-69.3-78.4-160.800112.4C118 S119 S120 I125 K126 R156 T157 T192C118-E122 PolarHBondContact O-N 2.84Å; S119-E122 PolarHBondContact O-N 3.4Å; S120-E122 PolarHBondContact O-N 3.19Å; E122-I125 PolarHBondContact O-N 2.85Å; E122-K126 WeakPolarHBondContact O-CB 3.31Å; E122-K126 PolarHBondContact O-N 3.45Å; E122-R156 WeakPolarHBondContact OE1-CB 3.41Å; E122-R156 IonicContact OE1-CZ 2.62Å; E122-R156 IonicContact OE1-NE 3.44Å; E122-R156 PolarHBondContact OE1-NE 2.85Å; E122-R156 IonicContact OE1-NH2 3.74Å; E122-R156 PolarHBondContact OE1-NH2 3.35Å; E122-R156 IonicContact OE2-CZ 3.96Å; E122-R156 IonicContact OE2-NE 3.52Å; E122-R156 IonicContact OE2-NH2 2.74Å; E122-R156 PolarHBondContact OE2-NH2 2.69Å; E122-T157 VanDerWaalsContact CD-OG1 3.28Å; E122-T157 PolarHBondContact OE1-N 3.43Å; E122-T157 PolarHBondContact OE1-OG1 3.28Å; E122-T192 PolarHBondContact OE1-OG1 2.94Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.28Å
123E98.8Very high98.6Very high90 Ų9050.2 Ų50.242%0.42128%0.283SS..Hα-helixtrans-65.7-38.4175.4-70-58127.800111.7S119 S120 I125 K126 E127S119-E123 PolarHBondContact O-N 2.96Å; S119-E123 VanDerWaalsContact O-N 3.1Å; S120-E123 PolarHBondContact O-N 2.92Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 3.34Å; E123-K126 WeakPolarHBondContact O-CB 3.21Å; E123-K126 PolarHBondContact O-N 3.24Å; E123-K126 VanDerWaalsContact O-N 3.14Å; E123-K126 IonicContact OE1-NZ 3.31Å; E123-K126 PolarHBondContact OE1-NZ 3.03Å; E123-K126 IonicContact OE2-NZ 2.9Å; E123-K126 PolarHBondContact OE2-NZ 2.78Å; E123-E127 WeakPolarHBondContact O-CB 3.46Å; E123-E127 VanDerWaalsContact O-CG 3.29Å; E123-E127 WeakPolarHBondContact O-CG 3.4Å; E123-E127 PolarHBondContact O-N 2.81Å
124K98.8Very high98.7Very high71 Ų7145.6 Ų45.631%0.30926%0.258SS..Hα-helixtrans-59.6-40.5173.6-70.9167.6-171.1161.90112.3F69 S120 F121 A128F69-K124 HydrophobicContact CE1-CB 4.04Å; S120-K124 WeakPolarHBondContact O-CG 3.49Å; S120-K124 PolarHBondContact O-N 3.12Å; F121-K124 PolarHBondContact O-N 2.86Å; K124-A128 WeakPolarHBondContact O-CB 3.41Å; K124-A128 PolarHBondContact O-N 3.01Å
125I98.9Very high98.7Very high12 Ų1244.2 Ų44.26%0.06225%0.251CS..Hα-helixtrans-62.4-46.3175.1-69.5169.3000110.1F69 F121 E122 E123 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.31Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.64Å; F69-I125 HydrophobicContact CG-CG1 3.98Å; F69-I125 HydrophobicContact CZ-CG1 4.29Å; F121-I125 HydrophobicContact CD1-CD1 3.86Å; F121-I125 HydrophobicContact CD1-CG1 4.48Å; F121-I125 HydrophobicContact CE1-CD1 3.85Å; F121-I125 HydrophobicContact CE1-CG1 4.45Å; F121-I125 WeakPolarHBondContact O-CG1 3.05Å; F121-I125 PolarHBondContact O-N 3.02Å; F121-I125 VanDerWaalsContact O-N 3.1Å; E122-I125 PolarHBondContact O-N 2.85Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 3.34Å; I125-A128 PolarHBondContact O-N 3.39Å; I125-G129 PolarHBondContact O-N 3.06Å; I125-G130 WeakPolarHBondContact O-CA 3.29Å; I125-G130 PolarHBondContact O-N 3.45Å; I125-I131 HydrophobicContact CG1-CD1 4.31Å; I125-I131 HydrophobicContact CG2-CD1 3.98Å; I125-I131 HydrophobicContact CG2-CG1 3.91Å; I125-T192 HydrophobicContact CD1-CG2 3.87Å
126K98.7Very high98.7Very high134 Ų13439.6 Ų39.658%0.58323%0.23SC*.Hα-helixtrans-65.1-43.7-179.9-179.9-179.7162.1-153.30112.5E122 E123 A128 G129E122-K126 WeakPolarHBondContact O-CB 3.31Å; E122-K126 PolarHBondContact O-N 3.45Å; E123-K126 WeakPolarHBondContact O-CB 3.21Å; E123-K126 PolarHBondContact O-N 3.24Å; E123-K126 VanDerWaalsContact O-N 3.14Å; E123-K126 IonicContact OE1-NZ 3.31Å; E123-K126 PolarHBondContact OE1-NZ 3.03Å; E123-K126 IonicContact OE2-NZ 2.9Å; E123-K126 PolarHBondContact OE2-NZ 2.78Å; K126-A128 PolarHBondContact O-N 2.77Å; K126-G129 WeakPolarHBondContact O-CA 3.47Å; K126-G129 PolarHBondContact O-N 2.66Å
127E98.4Very high98.7Very high158 Ų15838.3 Ų38.374%0.73822%0.221SC*.Hα-helixtrans-62.1-31.4174.5-74176.1177.100112.2E123 G129E123-E127 WeakPolarHBondContact O-CB 3.46Å; E123-E127 VanDerWaalsContact O-CG 3.29Å; E123-E127 WeakPolarHBondContact O-CG 3.4Å; E123-E127 PolarHBondContact O-N 2.81Å; E127-G129 PolarHBondContact O-N 3.42Å
128A98.4Very high98.6Very high23 Ų2337.2 Ų37.219%0.1922%0.217CC..THydrogen-bonded Turntrans-76.3-3.1172.600000113.8T36 K67 F69 K124 I125 K126T36-A128 HydrophobicContact CG2-CB 3.76Å; K67-A128 HydrophobicContact CD-CB 4.15Å; F69-A128 HydrophobicContact CE2-CB 4.06Å; F69-A128 HydrophobicContact CZ-CB 3.81Å; K124-A128 WeakPolarHBondContact O-CB 3.41Å; K124-A128 PolarHBondContact O-N 3.01Å; I125-A128 PolarHBondContact O-N 3.39Å; K126-A128 PolarHBondContact O-N 2.77Å
129G98.3Very high98.4Very high60 Ų6037.4 Ų37.462%0.61922%0.218SC*.THydrogen-bonded Turntrans87.719.9179.800000114.5I125 K126 E127I125-G129 PolarHBondContact O-N 3.06Å; K126-G129 WeakPolarHBondContact O-CA 3.47Å; K126-G129 PolarHBondContact O-N 2.66Å; E127-G129 PolarHBondContact O-N 3.42Å
130G98.6Very high98Very high22 Ų2237.6 Ų37.623%0.22722%0.218CC..SBendtrans84.5-173.9-173.800000113T36 I125T36-G130 VanDerWaalsContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CB-O 3.3Å; T36-G130 WeakPolarHBondContact CG2-O 3.39Å; T36-G130 PolarHBondContact OG1-O 3.47Å; I125-G130 WeakPolarHBondContact O-CA 3.29Å; I125-G130 PolarHBondContact O-N 3.45Å
131I98.9Very high97.8Very high5 Ų536 Ų363%0.02621%0.205CC..  trans-101.9123.9-179.4-56.6-58.7000110.2T36 F69 I125 L133 F134 A196 K197T36-I131 WeakPolarHBondContact OG1-CA 3.45Å; F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.44Å; F69-I131 VanDerWaalsContact CD2-CD1 3.44Å; F69-I131 HydrophobicContact CE2-CD1 4.04Å; F69-I131 HydrophobicContact CG-CD1 3.89Å; I125-I131 HydrophobicContact CG1-CD1 4.31Å; I125-I131 HydrophobicContact CG2-CD1 3.98Å; I125-I131 HydrophobicContact CG2-CG1 3.91Å; I131-L133 VanDerWaalsContact CG2-C 3.46Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.5Å; I131-F134 HydrophobicContact CB-CD2 4.38Å; I131-F134 HydrophobicContact CG1-CD2 4.18Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.27Å; I131-A196 HydrophobicContact CB-CB 3.91Å; I131-A196 HydrophobicContact CG2-CB 4.02Å; I131-A196 CarbonylContact O-C 3.33Å; I131-A196 WeakPolarHBondContact O-CA 3.43Å; I131-K197 PolarHBondContact O-N 3.38Å
132E98.9Very high97.7Very high32 Ų3236 Ų3615%0.1521%0.205CC..SBendtrans-74.4-44.1176.9-174.366-147.100111.4F27 F35 T36 K197 E198F27-E132 HydrophobicContact CD2-CG 4.05Å; F27-E132 HydrophobicContact CE2-CG 4.05Å; F27-E132 WeakPolarHBondContact CE2-OE2 3.22Å; F35-E132 HydrophobicContact CD2-CB 4.31Å; F35-E132 HydrophobicContact CD2-CG 3.87Å; F35-E132 HydrophobicContact CE2-CB 4.12Å; F35-E132 HydrophobicContact CE2-CG 3.49Å; F35-E132 VanDerWaalsContact CE2-CG 3.49Å; F35-E132 HydrophobicContact CZ-CB 4.3Å; F35-E132 HydrophobicContact CZ-CG 4.02Å; T36-E132 WeakPolarHBondContact O-CB 3.39Å; T36-E132 PolarHBondContact O-N 2.6Å; T36-E132 PolarHBondContact OG1-N 2.88Å; E132-K197 VanDerWaalsContact OE2-CD 3.31Å; E132-K197 WeakPolarHBondContact OE2-CD 3.08Å; E132-K197 WeakPolarHBondContact OE2-CE 3.25Å; E132-K197 IonicContact OE2-NZ 2.71Å; E132-K197 PolarHBondContact OE2-NZ 3.03Å; E132-E198 PolarHBondContact O-N 2.9Å
133L98.9Very high97.6Very high0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans-139.3122.9175.6174.361.6000109.7I20 F35 T36 L37 G38 I131 V135 E198 M200I20-L133 HydrophobicContact CG1-CD2 3.94Å; F35-L133 HydrophobicContact CE1-CB 4.16Å; F35-L133 HydrophobicContact CZ-CB 3.79Å; F35-L133 HydrophobicContact CZ-CD2 4.4Å; T36-L133 PolarHBondContact O-N 2.95Å; L37-L133 CarbonylContact C-O 3.56Å; L37-L133 WeakPolarHBondContact CA-O 3.11Å; L37-L133 HydrophobicContact CD1-CB 4.22Å; L37-L133 HydrophobicContact CD1-CD2 4.13Å; L37-L133 HydrophobicContact CD1-CG 4.11Å; L37-L133 WeakPolarHBondContact CD1-O 3.34Å; G38-L133 PolarHBondContact N-O 3.37Å; I131-L133 VanDerWaalsContact CG2-C 3.46Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.5Å; L133-V135 HydrophobicContact CD2-CG2 4.27Å; L133-V135 HydrophobicContact CG-CG2 4.12Å; L133-E198 CarbonylContact C-O 3.48Å; L133-E198 WeakPolarHBondContact CA-O 3.22Å; L133-E198 HydrophobicContact CD1-CB 4.08Å; L133-E198 HydrophobicContact CD1-CG 3.73Å; L133-M200 HydrophobicContact CD1-CB 4.08Å
134F98.9Very high97.6Very high1 Ų132 Ų320%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-104.4113.6173-149-50.8000109.9M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CE-CD1 4.42Å; M71-F134 HydrophobicContact CE-CE1 3.84Å; M71-F134 HydrophobicContact CG-CE1 3.32Å; M71-F134 HydrophobicContact CG-CZ 3.65Å; M71-F134 HydrophobicContact SD-CE1 3.93Å; I131-F134 HydrophobicContact CB-CD2 4.38Å; I131-F134 HydrophobicContact CG1-CD2 4.18Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.27Å; F134-V188 HydrophobicContact CZ-CG2 4.08Å; F134-V193 HydrophobicContact CB-CG1 4.12Å; F134-V193 HydrophobicContact CD1-CG1 4.09Å; F134-V193 HydrophobicContact CD2-CB 4.31Å; F134-V193 HydrophobicContact CD2-CG1 4.05Å; F134-V193 HydrophobicContact CD2-CG2 4.2Å; F134-V193 HydrophobicContact CE1-CG2 4.37Å; F134-V193 HydrophobicContact CE2-CG2 3.95Å; F134-V193 HydrophobicContact CG-CG1 3.79Å; F134-V193 HydrophobicContact CZ-CG2 4.07Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.42Å; F134-E198 PolarHBondContact N-O 3.45Å; F134-V199 HydrophobicContact CB-CG2 4.44Å; F134-V199 CarbonylContact O-C 3.48Å; F134-V199 WeakPolarHBondContact O-CA 3.33Å; F134-M200 PolarHBondContact O-N 2.88Å
135V98.9Very high97.5Very high7 Ų729.1 Ų29.14%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-92132.2173.7-171.10000109.4I20 L37 G38 P40 L133 M200I20-V135 HydrophobicContact CD1-CG2 3.92Å; I20-V135 HydrophobicContact CG1-CG2 4.19Å; L37-V135 HydrophobicContact CD1-CG2 3.86Å; G38-V135 WeakPolarHBondContact O-CB 3.32Å; G38-V135 PolarHBondContact O-N 3.35Å; P40-V135 WeakPolarHBondContact CD-O 3.16Å; P40-V135 HydrophobicContact CG-CG1 4.15Å; L133-V135 HydrophobicContact CD2-CG2 4.27Å; L133-V135 HydrophobicContact CG-CG2 4.12Å; V135-M200 CarbonylContact C-O 3.3Å; V135-M200 VanDerWaalsContact CA-O 3.31Å; V135-M200 WeakPolarHBondContact CA-O 3.1Å; V135-M200 HydrophobicContact CB-CE 4.44Å; V135-M200 HydrophobicContact CG1-CE 3.8Å; V135-M200 HydrophobicContact CG2-CE 3.8Å
136G98.4Very high97.5Very high1 Ų128.9 Ų28.91%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-138.2172.1179.500000112.4M200 I201 L202G136-M200 PolarHBondContact N-O 3.14Å; G136-I201 WeakPolarHBondContact O-CA 3.46Å; G136-L202 PolarHBondContact O-N 3.26Å
137G97.6Very high97.4Very high22 Ų2222.5 Ų22.523%0.22715%0.147CC..  trans-118.3-174.1164.100000110.8
138I97.4Very high97.3Very high6 Ų615.2 Ų15.23%0.03111%0.113CC..  trans-124.8133.4172.5-170.2170000110H143 I201 I203 K208 A211 A215 V226I138-H143 WeakPolarHBondContact CA-O 3.16Å; I138-I201 HydrophobicContact CB-CG2 4.44Å; I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.36Å; I138-I203 HydrophobicContact CG2-CB 4.09Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.6Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I138-K208 HydrophobicContact CG2-CB 4.33Å; I138-K208 HydrophobicContact CG2-CD 4.42Å; I138-K208 WeakPolarHBondContact O-CD 3.36Å; I138-K208 WeakPolarHBondContact O-CE 3.37Å; I138-K208 PolarHBondContact O-NZ 2.83Å; I138-A211 HydrophobicContact CD1-CB 3.68Å; I138-A211 HydrophobicContact CG1-CB 4.02Å; I138-A215 HydrophobicContact CD1-CB 4.08Å; I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.02Å; I138-V226 HydrophobicContact CD1-CG1 4.09Å; I138-V226 HydrophobicContact CD1-CG2 4.04Å; I138-V226 HydrophobicContact CG1-CB 4.31Å; I138-V226 HydrophobicContact CG1-CG2 3.77Å
139G93.5Very high97.2Very high3 Ų316.3 Ų16.33%0.03112%0.118CC..  trans-70.1160.4168.800000112.4D141 G142 H143 A211G139-D141 WeakPolarHBondContact CA-OD1 3.25Å; G139-D141 PolarHBondContact O-N 3.43Å; G139-D141 VanDerWaalsContact O-N 3.16Å; G139-G142 PolarHBondContact O-N 2.9Å; G139-H143 WeakPolarHBondContact CA-NE2 3.23Å; G139-H143 PolarHBondContact N-O 2.96Å; G139-H143 VanDerWaalsContact N-O 3.11Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.43Å
140P92.2Very high97.2Very high70 Ų7015.2 Ų15.246%0.45511%0.107SC..THydrogen-bonded Turntrans-58.2-22.2172.2-22.834.3000114.2K208P140-K208 HydrophobicContact CG-CD 4.27Å
141D93.6Very high97.2Very high16 Ų1614.5 Ų14.59%0.08610%0.098CC..THydrogen-bonded Turntrans-93.45.1174.864.6-12.7000113.4G139 H143 P149 W224G139-D141 WeakPolarHBondContact CA-OD1 3.25Å; G139-D141 PolarHBondContact O-N 3.43Å; G139-D141 VanDerWaalsContact O-N 3.16Å; D141-H143 IonicContact OD1-CE1 3.6Å; D141-H143 PolarHBondContact OD1-CE1 3.42Å; D141-H143 IonicContact OD1-CG 3.82Å; D141-H143 VanDerWaalsContact OD1-CG 3.24Å; D141-H143 PolarHBondContact OD1-N 3.02Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 2.66Å; D141-H143 PolarHBondContact OD1-ND1 3.06Å; D141-H143 IonicContact OD2-CE1 2.74Å; D141-H143 IonicContact OD2-CG 3.66Å; D141-H143 IonicContact OD2-ND1 3.24Å; D141-H143 PolarHBondContact OD2-ND1 3.06Å; D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 VanDerWaalsContact OD2-CD 3.28Å; D141-P149 WeakPolarHBondContact OD2-CD 3.35Å; D141-W224 VanDerWaalsContact C-CE3 3.41Å; D141-W224 WeakPolarHBondContact O-CZ3 3.37Å
142G96.6Very high97.2Very high0 Ų017.2 Ų17.20%012%0.118CC..  trans79.313.5-179.800000116.1G139 W224 T225 V226G139-G142 PolarHBondContact O-N 2.9Å; G142-W224 CarbonylContact O-C 3.56Å; G142-T225 PolarHBondContact O-N 3.31Å; G142-T225 VanDerWaalsContact O-N 3.11Å; G142-V226 WeakPolarHBondContact O-CG2 3.49Å; G142-V226 PolarHBondContact O-N 2.93Å
143H97.4Very high97.2Very high30 Ų3017.7 Ų17.714%0.13912%0.121CC..  trans-69.6148.7178.266-125.4000113.3I138 G139 D141 A145 N147 E148 T225I138-H143 WeakPolarHBondContact CA-O 3.16Å; G139-H143 WeakPolarHBondContact CA-NE2 3.23Å; G139-H143 PolarHBondContact N-O 2.96Å; G139-H143 VanDerWaalsContact N-O 3.11Å; D141-H143 IonicContact OD1-CE1 3.6Å; D141-H143 PolarHBondContact OD1-CE1 3.42Å; D141-H143 IonicContact OD1-CG 3.82Å; D141-H143 VanDerWaalsContact OD1-CG 3.24Å; D141-H143 PolarHBondContact OD1-N 3.02Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 2.66Å; D141-H143 PolarHBondContact OD1-ND1 3.06Å; D141-H143 IonicContact OD2-CE1 2.74Å; D141-H143 IonicContact OD2-CG 3.66Å; D141-H143 IonicContact OD2-ND1 3.24Å; D141-H143 PolarHBondContact OD2-ND1 3.06Å; H143-A145 PolarHBondContact CD2-O 3.42Å; H143-N147 WeakPolarHBondContact CB-O 3.46Å; H143-E148 IonicContact ND1-OE2 3.44Å; H143-E148 PolarHBondContact ND1-OE2 3.37Å; H143-T225 WeakPolarHBondContact CA-OG1 3.32Å
144I98.3Very high97.2Very high0 Ų023.3 Ų23.30%016%0.155CC..SBendtrans-105.5130.8161.2-17569.8000109.3M71 N147 V190 V193 I201 T225 V226 F229M71-I144 HydrophobicContact CE-CD1 3.37Å; M71-I144 HydrophobicContact CE-CG1 3.6Å; I144-N147 HydrophobicContact CG2-CB 4.23Å; I144-N147 WeakPolarHBondContact O-CB 3.24Å; I144-N147 PolarHBondContact O-N 3.24Å; I144-N147 PolarHBondContact O-ND2 3.02Å; I144-V190 HydrophobicContact CG2-CG2 4Å; I144-V193 HydrophobicContact CG1-CG2 4.36Å; I144-I201 HydrophobicContact CD1-CD1 3.64Å; I144-T225 PolarHBondContact N-OG1 3.44Å; I144-T225 VanDerWaalsContact N-OG1 3.1Å; I144-V226 HydrophobicContact CB-CG2 3.89Å; I144-V226 HydrophobicContact CD1-CG2 4.49Å; I144-F229 HydrophobicContact CB-CE2 4.2Å; I144-F229 HydrophobicContact CB-CZ 4.47Å; I144-F229 HydrophobicContact CD1-CE2 3.98Å; I144-F229 HydrophobicContact CD1-CZ 4.24Å; I144-F229 HydrophobicContact CG1-CE2 3.93Å; I144-F229 HydrophobicContact CG1-CZ 3.91Å; I144-F229 HydrophobicContact CG2-CE2 4.47Å; I144-F229 HydrophobicContact CG2-CZ 4.47Å
145A97.5Very high97.1Very high10 Ų1023.8 Ų23.88%0.08316%0.159CC..THydrogen-bonded Turntrans52.4-141.2-167.700000110M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.85Å; M71-A145 HydrophobicContact CE-CB 3.91Å; M71-A145 HydrophobicContact CG-CB 4.43Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.36Å; D72-A145 WeakPolarHBondContact OD2-CB 3.19Å; H143-A145 PolarHBondContact CD2-O 3.42Å; A145-N147 VanDerWaalsContact C-N 3.32Å; A145-T187 WeakPolarHBondContact CB-OG1 2.99Å; A145-V188 HydrophobicContact CB-CG2 3.99Å
146F97.4Very high97.1Very high6 Ų628.2 Ų28.23%0.02618%0.175CC..THydrogen-bonded Turntrans-94.533.2166.2-67.4-62.4000113.2D72 Y74 Y85 E148 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.8Å; D72-F146 PolarHBondContact OD2-N 3.43Å; Y74-F146 HydrophobicContact CE1-CE2 4.38Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y85-F146 AromaticContact CE2-CE2 3.79Å; Y85-F146 HydrophobicContact CE2-CE2 3.79Å; Y85-F146 HydrophobicContact CE2-CZ 4.04Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.34Å; F146-E148 PolarHBondContact O-N 2.94Å; F146-L162 HydrophobicContact CB-CD2 4.26Å; F146-L162 HydrophobicContact CD1-CD2 3.53Å; F146-L162 HydrophobicContact CD2-CD2 4.26Å; F146-L162 HydrophobicContact CE1-CD2 3.8Å; F146-L162 HydrophobicContact CE2-CD2 4.48Å; F146-L162 HydrophobicContact CG-CD2 3.78Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; F146-T166 HydrophobicContact CD1-CG2 4Å; F146-T166 HydrophobicContact CE1-CG2 3.62Å; F146-A185 HydrophobicContact CB-CB 4.5Å; F146-A185 HydrophobicContact CD2-CB 3.29Å; F146-A185 HydrophobicContact CE2-CB 3.57Å; F146-A185 HydrophobicContact CG-CB 4.04Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 2.95Å
147N98.1Very high97.2Very high0 Ų028.4 Ų28.40%018%0.176CC..  trans-78.471.8169-62.6-81.3000110.2H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.46Å; I144-N147 HydrophobicContact CG2-CB 4.23Å; I144-N147 WeakPolarHBondContact O-CB 3.24Å; I144-N147 PolarHBondContact O-N 3.24Å; I144-N147 PolarHBondContact O-ND2 3.02Å; A145-N147 VanDerWaalsContact C-N 3.32Å; N147-S155 PolarHBondContact OD1-OG 2.88Å; N147-R158 VanDerWaalsContact OD1-CZ 3.3Å; N147-R158 PolarHBondContact OD1-NH1 2.98Å; N147-R158 PolarHBondContact OD1-NH2 2.64Å; N147-V188 PolarHBondContact ND2-O 3.29Å; N147-V190 HydrophobicContact CB-CG2 3.62Å; N147-V190 PolarHBondContact OD1-N 3Å; N147-T225 HydrophobicContact CB-CG2 4.27Å; N147-T225 VanDerWaalsContact O-CG2 3.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.48Å; N147-T225 PolarHBondContact O-OG1 2.94Å
148E95.6Very high97.2Very high5 Ų529.6 Ų29.62%0.02317%0.173CC..  trans-52.4157.3178.6-58.2-70.9-157.600112.3H143 F146 G150 S151 L162 A163 T166H143-E148 IonicContact ND1-OE2 3.44Å; H143-E148 PolarHBondContact ND1-OE2 3.37Å; F146-E148 PolarHBondContact O-N 2.94Å; E148-G150 PolarHBondContact O-N 3.19Å; E148-S151 PolarHBondContact N-OG 3.18Å; E148-S151 WeakPolarHBondContact O-CB 3.23Å; E148-S151 PolarHBondContact O-N 2.85Å; E148-S151 PolarHBondContact O-OG 2.79Å; E148-L162 WeakPolarHBondContact OE1-CA 3.48Å; E148-A163 HydrophobicContact CB-CB 4.47Å; E148-A163 HydrophobicContact CG-CB 4.22Å; E148-A163 PolarHBondContact OE1-N 3.1Å; E148-T166 VanDerWaalsContact CD-OG1 3.31Å; E148-T166 VanDerWaalsContact OE1-CB 3.23Å; E148-T166 WeakPolarHBondContact OE1-CB 3.13Å; E148-T166 PolarHBondContact OE1-OG1 3.39Å; E148-T166 PolarHBondContact OE2-OG1 3.04Å; E148-T166 VanDerWaalsContact OE2-OG1 3.1Å
149P96.9Very high97.3Very high46 Ų4631.5 Ų31.530%0.29919%0.185SC..THydrogen-bonded Turntrans-47.9131.3177.2-29.234.8000113.2D141 M223D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 VanDerWaalsContact OD2-CD 3.28Å; D141-P149 WeakPolarHBondContact OD2-CD 3.35Å; P149-M223 HydrophobicContact CB-CE 3.65Å; P149-M223 WeakPolarHBondContact CB-O 3.33Å; P149-M223 HydrophobicContact CB-SD 4.12Å
150G97.1Very high97.4Very high38 Ų3833.6 Ų33.639%0.39219%0.193SC..THydrogen-bonded Turntrans92.3-4-174.900000114.3E148 H222E148-G150 PolarHBondContact O-N 3.19Å; G150-H222 PolarHBondContact N-O 2.8Å
151S98.4Very high97.4Very high6 Ų634.5 Ų34.54%0.04220%0.198CC..  trans-65.4138.2175.2-69.30000112.2E148 L153 R158 H222E148-S151 PolarHBondContact N-OG 3.18Å; E148-S151 WeakPolarHBondContact O-CB 3.23Å; E148-S151 PolarHBondContact O-N 2.85Å; E148-S151 PolarHBondContact O-OG 2.79Å; S151-L153 PolarHBondContact O-N 2.98Å; S151-R158 PolarHBondContact OG-NH2 3Å; S151-H222 WeakPolarHBondContact O-CB 3.46Å
152S98.8Very high97.2Very high63 Ų6334.2 Ų34.244%0.44120%0.196SC..  trans-56.1131.1174.6173.70000111.5V154 S155S152-V154 PolarHBondContact O-N 2.99Å; S152-V154 WeakPolarHBondContact OG-CG2 3.33Å; S152-V154 PolarHBondContact OG-N 3.45Å; S152-S155 WeakPolarHBondContact O-CB 3.5Å; S152-S155 PolarHBondContact O-N 3.12Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 3.14Å
153L98.8Very high96.6Very high41 Ų4135.7 Ų35.722%0.21521%0.208CC..THydrogen-bonded Turntrans-71.5-9.9179.3-61.3-173.7000113.5S151 V190 V220 H222 T225 A228S151-L153 PolarHBondContact O-N 2.98Å; L153-V190 HydrophobicContact CD2-CG1 4.41Å; L153-V190 WeakPolarHBondContact O-CB 3.41Å; L153-V190 VanDerWaalsContact O-CG1 3.26Å; L153-V190 WeakPolarHBondContact O-CG1 3.36Å; L153-V220 HydrophobicContact CD1-CG1 3.42Å; L153-V220 VanDerWaalsContact CD1-CG1 3.42Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4Å; L153-T225 HydrophobicContact CD2-CG2 4.11Å; L153-A228 HydrophobicContact CB-CB 4.5Å; L153-A228 HydrophobicContact CD1-CB 4.49Å; L153-A228 HydrophobicContact CD2-CB 4.12Å
154V98.6Very high96Very high118 Ų11841.8 Ų41.872%0.71524%0.235SC*.THydrogen-bonded Turntrans-114.819.9174-61.30000111.7S152S152-V154 PolarHBondContact O-N 2.99Å; S152-V154 WeakPolarHBondContact OG-CG2 3.33Å; S152-V154 PolarHBondContact OG-N 3.45Å
155S98.8Very high95.2Very high11 Ų1146.9 Ų46.98%0.07726%0.262CS..  trans-62.7154.3179.951.50000112.6N147 S152 R158 G189 V190 G191 T192N147-S155 PolarHBondContact OD1-OG 2.88Å; S152-S155 WeakPolarHBondContact O-CB 3.5Å; S152-S155 PolarHBondContact O-N 3.12Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 3.14Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 3.5Å; S155-G189 CarbonylContact O-C 3.56Å; S155-G189 VanDerWaalsContact O-CA 3.28Å; S155-G189 WeakPolarHBondContact O-CA 3.38Å; S155-V190 PolarHBondContact OG-N 3.46Å; S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.4Å; S155-G191 PolarHBondContact O-N 3.28Å; S155-T192 PolarHBondContact O-N 3.38Å
156R98.8Very high94.4Very high101 Ų10146.7 Ų46.738%0.38126%0.26SS..  trans-103.3176.7169.1-59.3-46.8-59.4-167.2-6.5111.2E122 R158 G189 D195E122-R156 WeakPolarHBondContact OE1-CB 3.41Å; E122-R156 IonicContact OE1-CZ 2.62Å; E122-R156 IonicContact OE1-NE 3.44Å; E122-R156 PolarHBondContact OE1-NE 2.85Å; E122-R156 IonicContact OE1-NH2 3.74Å; E122-R156 PolarHBondContact OE1-NH2 3.35Å; E122-R156 IonicContact OE2-CZ 3.96Å; E122-R156 IonicContact OE2-NE 3.52Å; E122-R156 IonicContact OE2-NH2 2.74Å; E122-R156 PolarHBondContact OE2-NH2 2.69Å; R156-R158 PolarHBondContact O-N 3.37Å; R156-R158 PolarHBondContact O-NH1 2.99Å; R156-R158 VanDerWaalsContact O-NH1 3.12Å; R156-G189 WeakPolarHBondContact O-CA 3.28Å; R156-D195 IonicContact CZ-OD2 2.75Å; R156-D195 IonicContact NH1-OD2 2.62Å; R156-D195 PolarHBondContact NH1-OD2 3.45Å; R156-D195 IonicContact NH2-OD2 2.8Å; R156-D195 PolarHBondContact NH2-OD2 2.93Å
157T98.9Very high93.9Very high5 Ų548.1 Ų48.13%0.03127%0.267CS..SBendtrans-54128.2173.1-53.20000110.7L107 C118 F121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; C118-T157 HydrophobicContact CB-CG2 3.75Å; C118-T157 WeakPolarHBondContact CB-O 3.34Å; F121-T157 HydrophobicContact CB-CG2 4.46Å; F121-T157 HydrophobicContact CD1-CG2 4.42Å; E122-T157 VanDerWaalsContact CD-OG1 3.28Å; E122-T157 PolarHBondContact OE1-N 3.43Å; E122-T157 PolarHBondContact OE1-OG1 3.28Å; T157-T187 CarbonylContact C-O 3.51Å; T157-T187 WeakPolarHBondContact CA-O 3.27Å; T157-T187 WeakPolarHBondContact CG2-O 3.46Å; T157-T192 PolarHBondContact N-OG1 3.49Å
158R98.8Very high93.3Very high47 Ų4753.1 Ų53.118%0.17729%0.292CS..EExtended strand (participates in β ladder)trans-160.8169.8-174.168.7-165.6-178.3-65.7-2.8112.2C118 N147 S151 S155 R156 K160 T187C118-R158 VanDerWaalsContact SG-C 3.58Å; C118-R158 VanDerWaalsContact SG-CA 3.53Å; N147-R158 VanDerWaalsContact OD1-CZ 3.3Å; N147-R158 PolarHBondContact OD1-NH1 2.98Å; N147-R158 PolarHBondContact OD1-NH2 2.64Å; S151-R158 PolarHBondContact OG-NH2 3Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 3.5Å; R156-R158 PolarHBondContact O-N 3.37Å; R156-R158 PolarHBondContact O-NH1 2.99Å; R156-R158 VanDerWaalsContact O-NH1 3.12Å; R158-K160 HydrophobicContact CG-CG 4.18Å; R158-T187 PolarHBondContact N-O 2.87Å; R158-T187 PolarHBondContact O-N 2.86Å
159V98.3Very high92.6Very high46 Ų4654.8 Ų54.828%0.27931%0.306SS..EExtended strand (participates in β ladder)trans-70.8135.1165.2-1720000109.9L114 M184 A185 L186L114-V159 HydrophobicContact CB-CG2 3.64Å; L114-V159 HydrophobicContact CD1-CG2 4.02Å; L114-V159 HydrophobicContact CG-CG2 4.5Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-CG 4.49Å; V159-M184 HydrophobicContact CG1-SD 3.93Å; V159-A185 WeakPolarHBondContact CA-O 3.29Å; V159-L186 HydrophobicContact CB-CD2 4.33Å; V159-L186 HydrophobicContact CG2-CD2 3.63Å
160K95.9Very high92Very high46 Ų4653.5 Ų53.520%0.230%0.297CS..EExtended strand (participates in β ladder)trans-131.9130172.5-85.9-66.3-64.2166.70111R158 M184 A185 T187R158-K160 HydrophobicContact CG-CG 4.18Å; K160-M184 CarbonylContact O-C 3.54Å; K160-M184 VanDerWaalsContact O-CA 3.26Å; K160-M184 WeakPolarHBondContact O-CA 3.44Å; K160-A185 PolarHBondContact N-O 3.37Å; K160-A185 PolarHBondContact O-N 2.95Å; K160-T187 HydrophobicContact CB-CG2 3.91Å; K160-T187 HydrophobicContact CG-CG2 3.72Å
161T93Very high91.6Very high89 Ų8952 Ų5255%0.54628%0.281SS..EExtended strand (participates in β ladder)trans-72.1131.8165.1-48.60000109.1T183T161-T183 WeakPolarHBondContact CA-O 3.46Å; T161-T183 WeakPolarHBondContact CG2-O 3.4Å
162L88.8Confident91.2Very high10 Ų1059.4 Ų59.45%0.05231%0.308CS..PPolyproline II helixtrans-71.7139.9179.9-55.5-171.2000110.6Y74 F146 E148 T166 I167 V181 P182 T183 A185Y74-L162 HydrophobicContact CD1-CD1 4.27Å; Y74-L162 HydrophobicContact CE1-CD1 3.81Å; F146-L162 HydrophobicContact CB-CD2 4.26Å; F146-L162 HydrophobicContact CD1-CD2 3.53Å; F146-L162 HydrophobicContact CD2-CD2 4.26Å; F146-L162 HydrophobicContact CE1-CD2 3.8Å; F146-L162 HydrophobicContact CE2-CD2 4.48Å; F146-L162 HydrophobicContact CG-CD2 3.78Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; E148-L162 WeakPolarHBondContact OE1-CA 3.48Å; L162-T166 HydrophobicContact CB-CG2 4.3Å; L162-T166 HydrophobicContact CD1-CG2 4.25Å; L162-T166 HydrophobicContact CD2-CG2 4.34Å; L162-I167 HydrophobicContact CB-CD1 4.41Å; L162-I167 HydrophobicContact CB-CG1 3.97Å; L162-V181 HydrophobicContact CD1-CG1 4.49Å; L162-P182 WeakPolarHBondContact CD1-O 3.35Å; L162-T183 PolarHBondContact N-O 2.91Å; L162-A185 HydrophobicContact CD2-CB 3.92Å
163A84.3Confident90.6Very high31 Ų3159.8 Ų59.826%0.25630%0.302SS..PPolyproline II helixtrans-70158172.300000110.5E148 D165 T166 I167E148-A163 HydrophobicContact CB-CB 4.47Å; E148-A163 HydrophobicContact CG-CB 4.22Å; E148-A163 PolarHBondContact OE1-N 3.1Å; A163-D165 PolarHBondContact O-N 3.11Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 2.97Å; A163-T166 VanDerWaalsContact O-N 3.16Å; A163-I167 WeakPolarHBondContact O-CG1 3.47Å; A163-I167 PolarHBondContact O-N 3.07Å
164K85.1Confident90.2Very high159 Ų15958.3 Ų58.369%0.69129%0.294SS*.Hα-helixtrans-57.8-39.4178.3-172.5-178.5176.8-175.60112T166 I167 M168K164-T166 VanDerWaalsContact C-N 3.34Å; K164-T166 PolarHBondContact O-N 3.1Å; K164-I167 PolarHBondContact O-N 3.05Å; K164-M168 HydrophobicContact CG-SD 4.18Å; K164-M168 WeakPolarHBondContact O-CG 3.44Å; K164-M168 PolarHBondContact O-N 3.1Å
165D80.7Confident89.8Confident107 Ų10759.2 Ų59.257%0.57229%0.294SS*.Hα-helixtrans-64.1-40.2179.2-64.2-25.7000111.5A163 M168 A169A163-D165 PolarHBondContact O-N 3.11Å; D165-M168 PolarHBondContact O-N 3.48Å; D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 3.41Å
166T82.3Confident89.3Confident6 Ų661.2 Ų61.24%0.03732%0.317CS..Hα-helixtrans-63.7-44.8173.7-58.20000111.8F146 E148 L162 A163 K164 M168 A169 N170F146-T166 HydrophobicContact CD1-CG2 4Å; F146-T166 HydrophobicContact CE1-CG2 3.62Å; E148-T166 VanDerWaalsContact CD-OG1 3.31Å; E148-T166 VanDerWaalsContact OE1-CB 3.23Å; E148-T166 WeakPolarHBondContact OE1-CB 3.13Å; E148-T166 PolarHBondContact OE1-OG1 3.39Å; E148-T166 PolarHBondContact OE2-OG1 3.04Å; E148-T166 VanDerWaalsContact OE2-OG1 3.1Å; L162-T166 HydrophobicContact CB-CG2 4.3Å; L162-T166 HydrophobicContact CD1-CG2 4.25Å; L162-T166 HydrophobicContact CD2-CG2 4.34Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 2.97Å; A163-T166 VanDerWaalsContact O-N 3.16Å; K164-T166 VanDerWaalsContact C-N 3.34Å; K164-T166 PolarHBondContact O-N 3.1Å; T166-M168 VanDerWaalsContact C-N 3.32Å; T166-M168 PolarHBondContact O-N 3.3Å; T166-A169 PolarHBondContact O-N 3.11Å; T166-N170 WeakPolarHBondContact O-CB 3.45Å; T166-N170 PolarHBondContact O-N 2.9Å
167I86.3Confident88.8Confident36 Ų3659.3 Ų59.319%0.18531%0.314CS..Hα-helixtrans-59.2-45.2175.1-67.3170.4000110.3L162 A163 K164 N170 A171 L178 V181L162-I167 HydrophobicContact CB-CD1 4.41Å; L162-I167 HydrophobicContact CB-CG1 3.97Å; A163-I167 WeakPolarHBondContact O-CG1 3.47Å; A163-I167 PolarHBondContact O-N 3.07Å; K164-I167 PolarHBondContact O-N 3.05Å; I167-N170 PolarHBondContact O-N 2.96Å; I167-A171 PolarHBondContact O-N 2.93Å; I167-L178 HydrophobicContact CG2-CB 4.27Å; I167-L178 HydrophobicContact CG2-CD2 3.79Å; I167-V181 HydrophobicContact CG1-CG1 4.37Å; I167-V181 HydrophobicContact CG2-CB 4.05Å; I167-V181 HydrophobicContact CG2-CG1 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.2Å
168M85.9Confident88.3Confident105 Ų10563.4 Ų63.452%0.51734%0.336SS..Hα-helixtrans-64.1-42.5177.7-72.9176.859.500112.7K164 D165 T166 N170 L178K164-M168 HydrophobicContact CG-SD 4.18Å; K164-M168 WeakPolarHBondContact O-CG 3.44Å; K164-M168 PolarHBondContact O-N 3.1Å; D165-M168 PolarHBondContact O-N 3.48Å; T166-M168 VanDerWaalsContact C-N 3.32Å; T166-M168 PolarHBondContact O-N 3.3Å; M168-N170 VanDerWaalsContact C-N 3.31Å; M168-N170 PolarHBondContact O-N 3.41Å; M168-L178 HydrophobicContact CB-CD2 4.42Å; M168-L178 HydrophobicContact CG-CD2 3.95Å
169A80.1Confident87.9Confident40 Ų4066 Ų6633%0.33136%0.361SS..Hα-helixtrans-66-34.6178.500000112.4D165 T166 R172D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 3.41Å; T166-A169 PolarHBondContact O-N 3.11Å; A169-R172 WeakPolarHBondContact O-CG 3.37Å; A169-R172 PolarHBondContact O-NE 3.26Å
170N85.1Confident87.4Confident19 Ų1968.7 Ų68.710%0.10237%0.369CS..Hα-helixtrans-90.8-15.6-176.3-67.7-5.1000113.5Y74 T166 I167 M168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.25Å; T166-N170 WeakPolarHBondContact O-CB 3.45Å; T166-N170 PolarHBondContact O-N 2.9Å; I167-N170 PolarHBondContact O-N 2.96Å; M168-N170 VanDerWaalsContact C-N 3.31Å; M168-N170 PolarHBondContact O-N 3.41Å; N170-R172 PolarHBondContact O-N 2.92Å; N170-F173 HydrophobicContact CB-CD2 4.26Å; N170-F173 WeakPolarHBondContact O-CB 3.17Å; N170-F173 WeakPolarHBondContact O-CD2 3.06Å; N170-F173 PolarHBondContact O-N 3.24Å; N170-F174 WeakPolarHBondContact O-CD2 3.35Å; N170-V181 HydrophobicContact CB-CG1 4.36Å
171A88.9Confident87.2Confident7 Ų766.7 Ų66.76%0.05836%0.361CS..G310 helixtrans-51.9-31.7177.400000113.6I167 F173 F174 G176 L178 V181I167-A171 PolarHBondContact O-N 2.93Å; A171-F173 PolarHBondContact O-N 2.95Å; A171-F173 VanDerWaalsContact O-N 3.08Å; A171-F174 CarbonylContact O-C 3.4Å; A171-F174 PolarHBondContact O-N 2.95Å; A171-G176 WeakPolarHBondContact O-CA 3.43Å; A171-G176 PolarHBondContact O-N 3.49Å; A171-L178 HydrophobicContact CB-CD2 3.7Å; A171-L178 HydrophobicContact CB-CG 4.45Å; A171-V181 HydrophobicContact CB-CG2 4.25Å
172R88.7Confident87.2Confident160 Ų16063.2 Ų63.260%0.60434%0.339SS*.G310 helixtrans-57-22.7175.369.8-174.1176.5-171.9-3.4114.4A169 N170A169-R172 WeakPolarHBondContact O-CG 3.37Å; A169-R172 PolarHBondContact O-NE 3.26Å; N170-R172 PolarHBondContact O-N 2.92Å
173F87.8Confident87.3Confident72 Ų7267 Ų6732%0.31636%0.363SS..G310 helixtrans-88.3-17176.3-58.1-59.1000112.3E83 N170 A171E83-F173 HydrophobicContact CG-CB 4.2Å; E83-F173 VanDerWaalsContact CG-O 3.3Å; E83-F173 WeakPolarHBondContact CG-O 3.48Å; E83-F173 WeakPolarHBondContact OE2-CB 3.48Å; N170-F173 HydrophobicContact CB-CD2 4.26Å; N170-F173 WeakPolarHBondContact O-CB 3.17Å; N170-F173 WeakPolarHBondContact O-CD2 3.06Å; N170-F173 PolarHBondContact O-N 3.24Å; A171-F173 PolarHBondContact O-N 2.95Å; A171-F173 VanDerWaalsContact O-N 3.08Å
174F90Very high87.8Confident9 Ų968.7 Ų68.74%0.03937%0.367CS..THydrogen-bonded Turntrans-114.751.1-177.4-61.9-91.2000111.2Y74 L77 E83 N170 A171 G176 D177 K180 V181 P182Y74-F174 HydrophobicContact CD2-CZ 4.48Å; Y74-F174 HydrophobicContact CE2-CE2 4.36Å; Y74-F174 HydrophobicContact CE2-CZ 4.05Å; L77-F174 HydrophobicContact CD1-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CE1 4.22Å; L77-F174 HydrophobicContact CD2-CZ 4.25Å; E83-F174 HydrophobicContact CB-CE1 4.11Å; E83-F174 HydrophobicContact CB-CZ 3.96Å; N170-F174 WeakPolarHBondContact O-CD2 3.35Å; A171-F174 CarbonylContact O-C 3.4Å; A171-F174 PolarHBondContact O-N 2.95Å; F174-G176 PolarHBondContact O-N 2.94Å; F174-G176 VanDerWaalsContact O-N 3.07Å; F174-D177 PolarHBondContact O-N 3.22Å; F174-K180 HydrophobicContact CB-CB 3.9Å; F174-K180 HydrophobicContact CD1-CB 4.38Å; F174-K180 WeakPolarHBondContact CD1-O 3.48Å; F174-V181 HydrophobicContact CB-CG2 4.23Å; F174-V181 HydrophobicContact CD2-CB 4.36Å; F174-V181 HydrophobicContact CD2-CG1 4.41Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.31Å; F174-V181 HydrophobicContact CG-CG2 4.18Å; F174-P182 HydrophobicContact CE1-CG 4.4Å; F174-P182 VanDerWaalsContact CZ-CD 3.48Å; F174-P182 HydrophobicContact CZ-CG 4.22Å
175D89.2Confident88.4Confident137 Ų13761.1 Ų61.173%0.73333%0.334SS*.THydrogen-bonded Turntrans58.616.9-178.8-49.6-47.8000115.2D177 K180D175-D177 PolarHBondContact O-N 2.75Å; D175-K180 IonicContact OD2-NZ 3.71Å; D175-K180 PolarHBondContact OD2-NZ 3.34Å
176G87.7Confident89.3Confident53 Ų5356 Ų5655%0.54631%0.306SS..THydrogen-bonded Turntrans77.45.7-17200000114.4A171 F174A171-G176 WeakPolarHBondContact O-CA 3.43Å; A171-G176 PolarHBondContact O-N 3.49Å; F174-G176 PolarHBondContact O-N 2.94Å; F174-G176 VanDerWaalsContact O-N 3.07Å
177D89.6Confident90.1Very high62 Ų6255.8 Ų55.833%0.33231%0.305SS..  trans-94.9109.6-177.9-173.3-12.4000111.2F174 D175 S179 K180F174-D177 PolarHBondContact O-N 3.22Å; D175-D177 PolarHBondContact O-N 2.75Å; D177-S179 VanDerWaalsContact CG-OG 3.24Å; D177-S179 PolarHBondContact O-N 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.3Å; D177-S179 PolarHBondContact OD1-N 3.47Å; D177-S179 PolarHBondContact OD1-OG 2.8Å; D177-S179 PolarHBondContact OD2-OG 2.62Å; D177-K180 HydrophobicContact CB-CB 4.4Å; D177-K180 HydrophobicContact CB-CD 4.01Å; D177-K180 HydrophobicContact CB-CG 3.99Å; D177-K180 PolarHBondContact O-N 3.25Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD2-CE 3.49Å
178L88.3Confident90.7Very high91 Ų9154 Ų5448%0.47630%0.296SS..G310 helixtrans-58.6-28.8178.9-63.5169.5000112.8I167 M168 A171 K180 V181I167-L178 HydrophobicContact CG2-CB 4.27Å; I167-L178 HydrophobicContact CG2-CD2 3.79Å; M168-L178 HydrophobicContact CB-CD2 4.42Å; M168-L178 HydrophobicContact CG-CD2 3.95Å; A171-L178 HydrophobicContact CB-CD2 3.7Å; A171-L178 HydrophobicContact CB-CG 4.45Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 2.94Å; L178-V181 PolarHBondContact O-N 3.1Å
179S89.7Confident91.3Very high101 Ų10149 Ų4971%0.70627%0.271SS*.G310 helixtrans-74.9-19.3-177.873.10000113.4D177D177-S179 VanDerWaalsContact CG-OG 3.24Å; D177-S179 PolarHBondContact O-N 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.3Å; D177-S179 PolarHBondContact OD1-N 3.47Å; D177-S179 PolarHBondContact OD1-OG 2.8Å; D177-S179 PolarHBondContact OD2-OG 2.62Å
180K89.1Confident92.2Very high102 Ų10247.1 Ų47.144%0.44326%0.255SS..G310 helixtrans-87.4-13.6177.4-65.4-173.8-169.8-177.50113.3F174 D175 D177 L178 P182F174-K180 HydrophobicContact CB-CB 3.9Å; F174-K180 HydrophobicContact CD1-CB 4.38Å; F174-K180 WeakPolarHBondContact CD1-O 3.48Å; D175-K180 IonicContact OD2-NZ 3.71Å; D175-K180 PolarHBondContact OD2-NZ 3.34Å; D177-K180 HydrophobicContact CB-CB 4.4Å; D177-K180 HydrophobicContact CB-CD 4.01Å; D177-K180 HydrophobicContact CB-CG 3.99Å; D177-K180 PolarHBondContact O-N 3.25Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD2-CE 3.49Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 2.94Å; K180-P182 WeakPolarHBondContact O-CD 3.43Å
181V90.7Very high92.8Very high5 Ų546.6 Ų46.63%0.0325%0.254CS..SBendtrans-71.9127.4177.7-173.20000108.7L162 I167 N170 A171 F174 L178 T183L162-V181 HydrophobicContact CD1-CG1 4.49Å; I167-V181 HydrophobicContact CG1-CG1 4.37Å; I167-V181 HydrophobicContact CG2-CB 4.05Å; I167-V181 HydrophobicContact CG2-CG1 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.2Å; N170-V181 HydrophobicContact CB-CG1 4.36Å; A171-V181 HydrophobicContact CB-CG2 4.25Å; F174-V181 HydrophobicContact CB-CG2 4.23Å; F174-V181 HydrophobicContact CD2-CB 4.36Å; F174-V181 HydrophobicContact CD2-CG1 4.41Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.31Å; F174-V181 HydrophobicContact CG-CG2 4.18Å; L178-V181 PolarHBondContact O-N 3.1Å; V181-T183 PolarHBondContact O-N 3.06Å
182P92.6Very high93.3Very high15 Ų1546.3 Ų46.310%0.09725%0.252CS..  trans-54.5135.5174.8-27.836.5000111.5Y74 L77 L162 F174 K180 M184Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.83Å; Y74-P182 HydrophobicContact CD2-CG 4.36Å; Y74-P182 HydrophobicContact CE1-CG 4.48Å; Y74-P182 HydrophobicContact CG-CB 4Å; Y74-P182 HydrophobicContact CG-CG 3.74Å; L77-P182 HydrophobicContact CB-CG 4.18Å; L77-P182 HydrophobicContact CD1-CG 4.25Å; L77-P182 HydrophobicContact CD2-CG 4.39Å; L162-P182 WeakPolarHBondContact CD1-O 3.35Å; F174-P182 HydrophobicContact CE1-CG 4.4Å; F174-P182 VanDerWaalsContact CZ-CD 3.48Å; F174-P182 HydrophobicContact CZ-CG 4.22Å; K180-P182 WeakPolarHBondContact O-CD 3.43Å; P182-M184 VanDerWaalsContact C-N 3.33Å
183T92.5Very high93.8Very high90 Ų9038.7 Ų38.755%0.55222%0.223SC*.SBendtrans-81.3-16.4-175.856.20000113.2T161 L162 V181T161-T183 WeakPolarHBondContact CA-O 3.46Å; T161-T183 WeakPolarHBondContact CG2-O 3.4Å; L162-T183 PolarHBondContact N-O 2.91Å; V181-T183 PolarHBondContact O-N 3.06Å
184M94.6Very high94.3Very high67 Ų6737.4 Ų37.433%0.3322%0.219SC..EExtended strand (participates in β ladder)trans-135.5155.1-178.7-62.7-175.2-66.100110.9V75 V159 K160 P182V75-M184 HydrophobicContact CB-CB 3.99Å; V75-M184 HydrophobicContact CG1-CE 4.22Å; V75-M184 HydrophobicContact CG2-CB 4.13Å; V75-M184 PolarHBondContact N-O 2.92Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-CG 4.49Å; V159-M184 HydrophobicContact CG1-SD 3.93Å; K160-M184 CarbonylContact O-C 3.54Å; K160-M184 VanDerWaalsContact O-CA 3.26Å; K160-M184 WeakPolarHBondContact O-CA 3.44Å; P182-M184 VanDerWaalsContact C-N 3.33Å
185A97.4Very high94.8Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-135.9153.2170.700000110.1E73 F146 V159 K160 L162E73-A185 CarbonylContact O-C 3.59Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.23Å; E73-A185 WeakPolarHBondContact O-CB 3.17Å; F146-A185 HydrophobicContact CB-CB 4.5Å; F146-A185 HydrophobicContact CD2-CB 3.29Å; F146-A185 HydrophobicContact CE2-CB 3.57Å; F146-A185 HydrophobicContact CG-CB 4.04Å; V159-A185 WeakPolarHBondContact CA-O 3.29Å; K160-A185 PolarHBondContact N-O 3.37Å; K160-A185 PolarHBondContact O-N 2.95Å; L162-A185 HydrophobicContact CD2-CB 3.92Å
186L98.8Very high95.2Very high0 Ų035.7 Ų35.70%021%0.21CC..EExtended strand (participates in β ladder)trans-84.3136.7159.1-54.8-171000107.2D72 E73 V75 L107 D108 L114 E117 V159D72-L186 CarbonylContact C-O 3.47Å; D72-L186 WeakPolarHBondContact CA-O 3.4Å; D72-L186 WeakPolarHBondContact CB-O 3.48Å; E73-L186 PolarHBondContact N-O 2.89Å; E73-L186 PolarHBondContact O-N 3.4Å; V75-L186 HydrophobicContact CG2-CD2 3.72Å; V75-L186 HydrophobicContact CG2-CG 3.88Å; L107-L186 HydrophobicContact CB-CB 3.94Å; L107-L186 HydrophobicContact CB-CD1 4.18Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.16Å; L107-L186 HydrophobicContact CD2-CD1 4.21Å; L107-L186 HydrophobicContact CG-CB 4.17Å; D108-L186 WeakPolarHBondContact O-CD1 3.3Å; L114-L186 HydrophobicContact CB-CD2 3.95Å; L114-L186 HydrophobicContact CD1-CD2 4.42Å; L114-L186 HydrophobicContact CD2-CD1 4.28Å; L114-L186 HydrophobicContact CD2-CD2 4.16Å; L114-L186 HydrophobicContact CG-CD2 4.39Å; E117-L186 HydrophobicContact CB-CD1 4.43Å; E117-L186 HydrophobicContact CG-CD1 3.81Å; V159-L186 HydrophobicContact CB-CD2 4.33Å; V159-L186 HydrophobicContact CG2-CD2 3.63Å
187T98.8Very high95.7Very high0 Ų038.8 Ų38.80%021%0.209CC..EExtended strand (participates in β ladder)trans-148.6142.7-177.7-170.40000111.3M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.59Å; M71-T187 WeakPolarHBondContact O-CA 3.45Å; A145-T187 WeakPolarHBondContact CB-OG1 2.99Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 2.95Å; T157-T187 CarbonylContact C-O 3.51Å; T157-T187 WeakPolarHBondContact CA-O 3.27Å; T157-T187 WeakPolarHBondContact CG2-O 3.46Å; R158-T187 PolarHBondContact N-O 2.87Å; R158-T187 PolarHBondContact O-N 2.86Å; K160-T187 HydrophobicContact CB-CG2 3.91Å; K160-T187 HydrophobicContact CG-CG2 3.72Å
188V98.9Very high96.2Very high0 Ų035.9 Ų35.90%019%0.193CC..  trans-59.3147.6167.6-61.90000110M71 F121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.14Å; M71-V188 HydrophobicContact CG-CG2 4.33Å; M71-V188 WeakPolarHBondContact O-CG2 3.22Å; M71-V188 PolarHBondContact O-N 3.32Å; F121-V188 HydrophobicContact CD1-CG1 4.26Å; F121-V188 HydrophobicContact CE1-CG1 3.83Å; F134-V188 HydrophobicContact CZ-CG2 4.08Å; A145-V188 HydrophobicContact CB-CG2 3.99Å; N147-V188 PolarHBondContact ND2-O 3.29Å; V188-T192 HydrophobicContact CB-CG2 3.98Å; V188-T192 HydrophobicContact CG1-CG2 4.19Å; V188-V193 HydrophobicContact CG2-CG2 3.71Å
189G98.8Very high96.7Very high0 Ų031.6 Ų31.60%017%0.171CC..  trans-78.7164.7177.700000112.9S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.56Å; S155-G189 VanDerWaalsContact O-CA 3.28Å; S155-G189 WeakPolarHBondContact O-CA 3.38Å; R156-G189 WeakPolarHBondContact O-CA 3.28Å; G189-G191 PolarHBondContact O-N 2.86Å; G189-T192 PolarHBondContact N-OG1 2.98Å; G189-T192 WeakPolarHBondContact O-CB 3.34Å; G189-T192 PolarHBondContact O-N 3.4Å; G189-T192 VanDerWaalsContact O-N 3.14Å; G189-V193 PolarHBondContact O-N 2.88Å; G189-V193 VanDerWaalsContact O-N 3.15Å
190V98.9Very high97.1Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-59.2-41.9171.1-176.60000110I144 N147 L153 S155 T192 V193 M194 T225 A228I144-V190 HydrophobicContact CG2-CG2 4Å; N147-V190 HydrophobicContact CB-CG2 3.62Å; N147-V190 PolarHBondContact OD1-N 3Å; L153-V190 HydrophobicContact CD2-CG1 4.41Å; L153-V190 WeakPolarHBondContact O-CB 3.41Å; L153-V190 VanDerWaalsContact O-CG1 3.26Å; L153-V190 WeakPolarHBondContact O-CG1 3.36Å; S155-V190 PolarHBondContact OG-N 3.46Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 3.47Å; V190-V193 PolarHBondContact O-N 3.48Å; V190-M194 HydrophobicContact CG1-CG 4.27Å; V190-M194 WeakPolarHBondContact O-CB 3.39Å; V190-M194 WeakPolarHBondContact O-CG 3.41Å; V190-M194 PolarHBondContact O-N 3.44Å; V190-T225 HydrophobicContact CG2-CG2 4.27Å; V190-A228 HydrophobicContact CG1-CB 3.58Å
191G98.8Very high97.6Very high7 Ų721.9 Ų21.97%0.07212%0.116CC..Hα-helixtrans-62.5-39.2174.700000112.7S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.4Å; S155-G191 PolarHBondContact O-N 3.28Å; G189-G191 PolarHBondContact O-N 2.86Å; G191-V193 VanDerWaalsContact C-N 3.3Å; G191-V193 PolarHBondContact O-N 2.85Å; G191-M194 PolarHBondContact O-N 2.84Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 2.88Å
192T98.9Very high98Very high2 Ų221.9 Ų21.91%0.01212%0.115CC..Hα-helixtrans-59.4-40.7175.9-43.80000111.9E122 I125 S155 T157 V188 G189 V190E122-T192 PolarHBondContact OE1-OG1 2.94Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.28Å; I125-T192 HydrophobicContact CD1-CG2 3.87Å; S155-T192 PolarHBondContact O-N 3.38Å; T157-T192 PolarHBondContact N-OG1 3.49Å; V188-T192 HydrophobicContact CB-CG2 3.98Å; V188-T192 HydrophobicContact CG1-CG2 4.19Å; G189-T192 PolarHBondContact N-OG1 2.98Å; G189-T192 WeakPolarHBondContact O-CB 3.34Å; G189-T192 PolarHBondContact O-N 3.4Å; G189-T192 VanDerWaalsContact O-N 3.14Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 3.47Å
193V98.9Very high98.3Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-74.7-37.9176.3-174.60000111.4M71 F134 I144 V188 G189 V190 G191 D195 A196 V199 F229M71-V193 HydrophobicContact CE-CG2 4.42Å; F134-V193 HydrophobicContact CB-CG1 4.12Å; F134-V193 HydrophobicContact CD1-CG1 4.09Å; F134-V193 HydrophobicContact CD2-CB 4.31Å; F134-V193 HydrophobicContact CD2-CG1 4.05Å; F134-V193 HydrophobicContact CD2-CG2 4.2Å; F134-V193 HydrophobicContact CE1-CG2 4.37Å; F134-V193 HydrophobicContact CE2-CG2 3.95Å; F134-V193 HydrophobicContact CG-CG1 3.79Å; F134-V193 HydrophobicContact CZ-CG2 4.07Å; I144-V193 HydrophobicContact CG1-CG2 4.36Å; V188-V193 HydrophobicContact CG2-CG2 3.71Å; G189-V193 PolarHBondContact O-N 2.88Å; G189-V193 VanDerWaalsContact O-N 3.15Å; V190-V193 PolarHBondContact O-N 3.48Å; G191-V193 VanDerWaalsContact C-N 3.3Å; G191-V193 PolarHBondContact O-N 2.85Å; V193-D195 PolarHBondContact O-N 2.73Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.34Å; V193-A196 PolarHBondContact O-N 2.84Å; V193-A196 VanDerWaalsContact O-N 3.14Å; V193-V199 HydrophobicContact CG1-CG1 4.25Å; V193-V199 HydrophobicContact CG1-CG2 4.07Å; V193-F229 HydrophobicContact CB-CE1 4.24Å; V193-F229 HydrophobicContact CB-CZ 4.09Å; V193-F229 HydrophobicContact CG1-CE1 3.72Å; V193-F229 HydrophobicContact CG1-CZ 3.52Å
194M98.8Very high98.6Very high45 Ų4517.2 Ų17.222%0.2229%0.087CC..Hα-helixtrans-64.1-22.9176.4-73.3-75.1-64.800113.6V190 G191 A196 A228 F229 Q231 H232V190-M194 HydrophobicContact CG1-CG 4.27Å; V190-M194 WeakPolarHBondContact O-CB 3.39Å; V190-M194 WeakPolarHBondContact O-CG 3.41Å; V190-M194 PolarHBondContact O-N 3.44Å; G191-M194 PolarHBondContact O-N 2.84Å; M194-A196 PolarHBondContact O-N 3.46Å; M194-A228 HydrophobicContact SD-CB 4.27Å; M194-F229 HydrophobicContact CG-CD1 4.39Å; M194-F229 HydrophobicContact CG-CE1 4.11Å; M194-F229 HydrophobicContact SD-CD1 3.42Å; M194-F229 WeakPolarHBondContact SD-CD1 3.4Å; M194-F229 HydrophobicContact SD-CE1 3.75Å; M194-F229 HydrophobicContact SD-CG 4.41Å; M194-Q231 HydrophobicContact CE-CB 4.33Å; M194-H232 HydrophobicContact CE-CB 3.94Å; M194-H232 PolarHBondContact O-CD2 3.39Å; M194-H232 PolarHBondContact O-NE2 3.46Å; M194-H232 HydrophobicContact SD-CB 3.79Å
195D98.9Very high98.7Very high106 Ų10614.7 Ų14.757%0.5678%0.078SC*.THydrogen-bonded Turntrans-76.6-10.6175.5-73.5-10000113.2R156 G191 V193R156-D195 IonicContact CZ-OD2 2.75Å; R156-D195 IonicContact NH1-OD2 2.62Å; R156-D195 PolarHBondContact NH1-OD2 3.45Å; R156-D195 IonicContact NH2-OD2 2.8Å; R156-D195 PolarHBondContact NH2-OD2 2.93Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 2.88Å; V193-D195 PolarHBondContact O-N 2.73Å
196A98.9Very high98.8Very high4 Ų417 Ų173%0.03310%0.097CC..SBendtrans-63.6147.7175.200000110.6I131 F134 V193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.91Å; I131-A196 HydrophobicContact CG2-CB 4.02Å; I131-A196 CarbonylContact O-C 3.33Å; I131-A196 WeakPolarHBondContact O-CA 3.43Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.42Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.34Å; V193-A196 PolarHBondContact O-N 2.84Å; V193-A196 VanDerWaalsContact O-N 3.14Å; M194-A196 PolarHBondContact O-N 3.46Å; A196-E198 PolarHBondContact O-N 2.91Å; A196-V199 HydrophobicContact CB-CG2 4.22Å; A196-H232 PolarHBondContact O-NE2 3.2Å
197K98.8Very high98.6Very high118 Ų11822.8 Ų22.851%0.51312%0.123SC..SBendtrans-66.2-31.1175.3-62.7-173.4-1661620112I131 E132I131-K197 PolarHBondContact O-N 3.38Å; E132-K197 VanDerWaalsContact OE2-CD 3.31Å; E132-K197 WeakPolarHBondContact OE2-CD 3.08Å; E132-K197 WeakPolarHBondContact OE2-CE 3.25Å; E132-K197 IonicContact OE2-NZ 2.71Å; E132-K197 PolarHBondContact OE2-NZ 3.03Å
198E98.9Very high98.6Very high1 Ų123.8 Ų23.81%0.00513%0.128CC..  trans-144.2143.2175.4179.7160.1-170.300111.4Y19 K23 E132 L133 F134 A196 Q234 V236Y19-E198 VanDerWaalsContact CE1-OE1 3.27Å; Y19-E198 WeakPolarHBondContact CE1-OE1 3.48Å; Y19-E198 VanDerWaalsContact CZ-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE2 2.62Å; K23-E198 WeakPolarHBondContact CE-OE2 3.39Å; K23-E198 IonicContact NZ-OE2 2.73Å; K23-E198 PolarHBondContact NZ-OE2 2.79Å; E132-E198 PolarHBondContact O-N 2.9Å; L133-E198 CarbonylContact C-O 3.48Å; L133-E198 WeakPolarHBondContact CA-O 3.22Å; L133-E198 HydrophobicContact CD1-CB 4.08Å; L133-E198 HydrophobicContact CD1-CG 3.73Å; F134-E198 PolarHBondContact N-O 3.45Å; A196-E198 PolarHBondContact O-N 2.91Å; E198-Q234 WeakPolarHBondContact CA-O 3.43Å; E198-Q234 HydrophobicContact CB-CG 4.16Å; E198-Q234 VanDerWaalsContact CD-NE2 3.31Å; E198-Q234 HydrophobicContact CG-CG 3.92Å; E198-Q234 PolarHBondContact OE2-NE2 2.95Å; E198-V236 WeakPolarHBondContact OE1-CG2 3.29Å
199V98.9Very high98.6Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-119.1132.2174.8179.80000109.6F134 V193 A196 I201 F229 Q234 T235 V236F134-V199 HydrophobicContact CB-CG2 4.44Å; F134-V199 CarbonylContact O-C 3.48Å; F134-V199 WeakPolarHBondContact O-CA 3.33Å; V193-V199 HydrophobicContact CG1-CG1 4.25Å; V193-V199 HydrophobicContact CG1-CG2 4.07Å; A196-V199 HydrophobicContact CB-CG2 4.22Å; V199-I201 HydrophobicContact CG1-CD1 3.56Å; V199-I201 HydrophobicContact CG1-CG1 4.03Å; V199-F229 HydrophobicContact CB-CD1 4.41Å; V199-F229 HydrophobicContact CB-CE1 4.42Å; V199-F229 HydrophobicContact CG1-CD1 4.14Å; V199-F229 HydrophobicContact CG1-CE1 3.94Å; V199-F229 HydrophobicContact CG1-CE2 4.33Å; V199-F229 HydrophobicContact CG1-CG 4.46Å; V199-F229 HydrophobicContact CG1-CZ 4.05Å; V199-F229 HydrophobicContact CG2-CD1 4.2Å; V199-F229 HydrophobicContact CG2-CE1 3.97Å; V199-Q234 PolarHBondContact N-O 3.48Å; V199-T235 HydrophobicContact CB-CG2 4.25Å; V199-T235 HydrophobicContact CG1-CG2 4.29Å; V199-T235 CarbonylContact O-C 3.31Å; V199-T235 VanDerWaalsContact O-CA 3.3Å; V199-T235 WeakPolarHBondContact O-CA 3.47Å; V199-V236 PolarHBondContact O-N 3.45Å
200M98.9Very high98.6Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-120120.1170.8-177174.768.600110.2W15 A16 Y19 I20 L133 F134 V135 G136 V236 V238W15-M200 HydrophobicContact CZ3-SD 4.33Å; A16-M200 HydrophobicContact CB-CE 3.79Å; A16-M200 HydrophobicContact CB-SD 4.11Å; Y19-M200 HydrophobicContact CD1-SD 3.74Å; Y19-M200 HydrophobicContact CG-SD 4.47Å; I20-M200 HydrophobicContact CD1-CE 3.71Å; I20-M200 HydrophobicContact CG1-CE 3.74Å; L133-M200 HydrophobicContact CD1-CB 4.08Å; F134-M200 PolarHBondContact O-N 2.88Å; V135-M200 CarbonylContact C-O 3.3Å; V135-M200 VanDerWaalsContact CA-O 3.31Å; V135-M200 WeakPolarHBondContact CA-O 3.1Å; V135-M200 HydrophobicContact CB-CE 4.44Å; V135-M200 HydrophobicContact CG1-CE 3.8Å; V135-M200 HydrophobicContact CG2-CE 3.8Å; G136-M200 PolarHBondContact N-O 3.14Å; M200-V236 CarbonylContact C-O 3.58Å; M200-V236 VanDerWaalsContact CA-O 3.25Å; M200-V236 WeakPolarHBondContact CA-O 3.35Å; M200-V236 HydrophobicContact CG-CB 4.49Å; M200-V238 HydrophobicContact CG-CG2 3.96Å; M200-V238 HydrophobicContact SD-CG2 3.9Å
201I98.9Very high98.6Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-107.5118.1176.9-50.9-57.5000109.4G136 I138 I144 V199 I203 F229 V236 F237 V238G136-I201 WeakPolarHBondContact O-CA 3.46Å; I138-I201 HydrophobicContact CB-CG2 4.44Å; I144-I201 HydrophobicContact CD1-CD1 3.64Å; V199-I201 HydrophobicContact CG1-CD1 3.56Å; V199-I201 HydrophobicContact CG1-CG1 4.03Å; I201-I203 HydrophobicContact CG2-CD1 3.8Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I201-F229 HydrophobicContact CD1-CD2 4.34Å; I201-F229 HydrophobicContact CD1-CE2 3.92Å; I201-F229 HydrophobicContact CG1-CD2 4.29Å; I201-F229 HydrophobicContact CG1-CE2 4.36Å; I201-V236 PolarHBondContact N-O 3.4Å; I201-F237 HydrophobicContact CB-CD1 3.73Å; I201-F237 HydrophobicContact CB-CE1 3.89Å; I201-F237 HydrophobicContact CG1-CD1 4.18Å; I201-F237 HydrophobicContact CG1-CE1 3.86Å; I201-F237 HydrophobicContact CG2-CD1 4.22Å; I201-F237 HydrophobicContact CG2-CE1 4.28Å; I201-F237 WeakPolarHBondContact O-CA 3.49Å; I201-V238 PolarHBondContact O-N 2.87Å
202L98.9Very high98.6Very high4 Ų428.3 Ų28.32%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-94.8126.8176.1-178.264.7000110.4A12 A16 T44 C48 G136 T204 V238A12-L202 HydrophobicContact CB-CD1 4.11Å; A16-L202 HydrophobicContact CB-CD1 4.28Å; A16-L202 HydrophobicContact CB-CD2 4.5Å; T44-L202 HydrophobicContact CG2-CB 4.18Å; T44-L202 HydrophobicContact CG2-CD2 3.87Å; T44-L202 HydrophobicContact CG2-CG 3.67Å; T44-L202 WeakPolarHBondContact CG2-O 3.16Å; C48-L202 HydrophobicContact CB-CD2 4.44Å; G136-L202 PolarHBondContact O-N 3.26Å; L202-T204 HydrophobicContact CD1-CG2 4.36Å; L202-V238 CarbonylContact C-O 3.52Å; L202-V238 WeakPolarHBondContact CA-O 3.4Å; L202-V238 HydrophobicContact CD1-CB 3.95Å; L202-V238 HydrophobicContact CD1-CG1 3.89Å
203I98.8Very high98.6Very high0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-138.3113.5-170-49.7177.9000109.8I138 I201 K208 L212 F237 V238 C239 D240 A243I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.36Å; I138-I203 HydrophobicContact CG2-CB 4.09Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.6Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I201-I203 HydrophobicContact CG2-CD1 3.8Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I203-K208 HydrophobicContact CG2-CB 3.68Å; I203-K208 HydrophobicContact CG2-CG 4.42Å; I203-L212 HydrophobicContact CD1-CD1 3.68Å; I203-L212 HydrophobicContact CD1-CG 4.45Å; I203-F237 HydrophobicContact CD1-CD1 3.81Å; I203-F237 HydrophobicContact CD1-CE1 4.45Å; I203-V238 PolarHBondContact N-O 2.82Å; I203-C239 HydrophobicContact CB-CB 4.15Å; I203-C239 WeakPolarHBondContact O-CA 3.21Å; I203-C239 WeakPolarHBondContact O-CB 3.35Å; I203-D240 PolarHBondContact O-N 3.09Å; I203-A243 HydrophobicContact CG2-CB 3.87Å
204T98.6Very high98.6Very high8 Ų832.3 Ų32.35%0.04916%0.163CC..  trans-133.6138.2-175.959.40000112.4Y9 A12 L202 H207 D240Y9-T204 HydrophobicContact CD2-CG2 3.86Å; A12-T204 HydrophobicContact CB-CG2 4.02Å; L202-T204 HydrophobicContact CD1-CG2 4.36Å; T204-H207 PolarHBondContact O-CE1 2.93Å; T204-D240 WeakPolarHBondContact CA-OD1 3.41Å; T204-D240 WeakPolarHBondContact CA-OD2 3.44Å; T204-D240 WeakPolarHBondContact CB-OD2 3.36Å
205G98.1Very high98.6Very high13 Ų1330.2 Ų30.213%0.13415%0.152CC..SBendtrans90.8151.9173.900000114.9H207 K208 D240G205-H207 PolarHBondContact O-N 3.44Å; G205-H207 VanDerWaalsContact O-N 3.13Å; G205-K208 PolarHBondContact O-N 3.18Å; G205-D240 VanDerWaalsContact N-CG 3.32Å; G205-D240 PolarHBondContact N-OD1 3.04Å; G205-D240 PolarHBondContact N-OD2 3.06Å
206A98.3Very high98.5Very high49 Ų4926.1 Ų26.141%0.40513%0.13SC..G310 helixtrans-58.3-32.7-17300000113.8K208 A209 D242 L245A206-K208 PolarHBondContact O-N 3.37Å; A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.32Å; A206-A209 PolarHBondContact O-N 2.87Å; A206-D242 WeakPolarHBondContact CA-O 3.19Å; A206-D242 HydrophobicContact CB-CB 4.34Å; A206-L245 HydrophobicContact CB-CD1 3.61Å
207H95.9Very high98.5Very high121 Ų12127.8 Ų27.856%0.5614%0.137SC*.G310 helixtrans-62.7-7.8177.469.2-74.3000114.3T204 G205T204-H207 PolarHBondContact O-CE1 2.93Å; G205-H207 PolarHBondContact O-N 3.44Å; G205-H207 VanDerWaalsContact O-N 3.13Å
208K98Very high98.5Very high22 Ų2225.1 Ų25.110%0.09613%0.127CC..G310 helixtrans-109.3-4.1174.2-57.9-58.4-175.963.80113.7I138 P140 I203 G205 A206 F210 A211 L212I138-K208 HydrophobicContact CG2-CB 4.33Å; I138-K208 HydrophobicContact CG2-CD 4.42Å; I138-K208 WeakPolarHBondContact O-CD 3.36Å; I138-K208 WeakPolarHBondContact O-CE 3.37Å; I138-K208 PolarHBondContact O-NZ 2.83Å; P140-K208 HydrophobicContact CG-CD 4.27Å; I203-K208 HydrophobicContact CG2-CB 3.68Å; I203-K208 HydrophobicContact CG2-CG 4.42Å; G205-K208 PolarHBondContact O-N 3.18Å; A206-K208 PolarHBondContact O-N 3.37Å; K208-F210 PolarHBondContact O-N 2.82Å; K208-A211 PolarHBondContact O-N 2.91Å; K208-L212 PolarHBondContact O-N 3.03Å
209A98.7Very high98.5Very high2 Ų227.3 Ų27.32%0.01715%0.15CC..Hα-helixtrans-61.7-42.7-172.300000112.8A206 A211 L212 Y213 A243 L245 E246A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.32Å; A206-A209 PolarHBondContact O-N 2.87Å; A209-A211 PolarHBondContact O-N 2.78Å; A209-L212 PolarHBondContact O-N 3.06Å; A209-Y213 PolarHBondContact O-N 3.02Å; A209-A243 VanDerWaalsContact CA-O 3.24Å; A209-A243 WeakPolarHBondContact CA-O 3.27Å; A209-A243 WeakPolarHBondContact CB-O 3.45Å; A209-L245 HydrophobicContact CB-CB 4.04Å; A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.86Å
210F98.6Very high98.5Very high99 Ų9929.9 Ų29.943%0.43417%0.166SC..Hα-helixtrans-64.3-41.8178.1-171-108000112.5K208 L212 Y213 K214 W224 E246K208-F210 PolarHBondContact O-N 2.82Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.93Å; F210-Y213 HydrophobicContact CD2-CD1 4.19Å; F210-Y213 HydrophobicContact CE2-CD1 4.15Å; F210-Y213 HydrophobicContact CE2-CE1 4.36Å; F210-Y213 WeakPolarHBondContact O-CB 3.28Å; F210-Y213 PolarHBondContact O-N 3.43Å; F210-K214 HydrophobicContact CD1-CG 4.23Å; F210-K214 HydrophobicContact CE1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.25Å; F210-K214 WeakPolarHBondContact O-CG 3.26Å; F210-K214 PolarHBondContact O-N 2.93Å; F210-W224 AromaticContact CD1-CH2 3.82Å; F210-W224 HydrophobicContact CD1-CH2 3.82Å; F210-W224 HydrophobicContact CD1-CZ3 4.27Å; F210-W224 AromaticContact CE1-CH2 3.6Å; F210-W224 HydrophobicContact CE1-CH2 3.6Å; F210-W224 AromaticContact CE1-CZ2 3.95Å; F210-W224 HydrophobicContact CE1-CZ2 3.95Å; F210-W224 HydrophobicContact CE1-CZ3 4.42Å; F210-E246 HydrophobicContact CB-CG 4.29Å; F210-E246 HydrophobicContact CD2-CG 4.49Å
211A98.4Very high98.5Very high1 Ų132.8 Ų32.81%0.00818%0.181CC..Hα-helixtrans-64-39.8176.200000111.8I138 G139 K208 A209 K214 A215 W224I138-A211 HydrophobicContact CD1-CB 3.68Å; I138-A211 HydrophobicContact CG1-CB 4.02Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.43Å; K208-A211 PolarHBondContact O-N 2.91Å; A209-A211 PolarHBondContact O-N 2.78Å; A211-K214 PolarHBondContact O-N 3.37Å; A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.23Å; A211-W224 HydrophobicContact CB-CZ3 4.38Å
212L98.8Very high98.5Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-61.6-49.2174.1178.553.3000110.8I203 K208 A209 F210 K214 A215 I216 F237 C239 A243 L247I203-L212 HydrophobicContact CD1-CD1 3.68Å; I203-L212 HydrophobicContact CD1-CG 4.45Å; K208-L212 PolarHBondContact O-N 3.03Å; A209-L212 PolarHBondContact O-N 3.06Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.93Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.99Å; L212-A215 PolarHBondContact O-N 3.22Å; L212-I216 HydrophobicContact CD1-CD1 3.88Å; L212-I216 HydrophobicContact CD1-CG1 3.97Å; L212-I216 HydrophobicContact CD1-CG2 3.9Å; L212-I216 HydrophobicContact CG-CD1 4.27Å; L212-I216 HydrophobicContact CG-CG1 4.39Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.1Å; L212-F237 HydrophobicContact CD1-CD1 4.44Å; L212-C239 HydrophobicContact CD2-CB 4.45Å; L212-A243 HydrophobicContact CD2-CB 4.39Å; L212-A243 WeakPolarHBondContact CD2-O 3.49Å; L212-L247 HydrophobicContact CD2-CD1 4Å; L212-L247 HydrophobicContact CG-CD1 4.33Å; L212-L247 HydrophobicContact CG-CD2 4.28Å
213Y98.9Very high98.4Very high52 Ų5241 Ų4120%0.20422%0.22CC..Hα-helixtrans-51.4-51.2174.5159.5-102.4000112.1A209 F210 A215 I216 E217 E218 E246A209-Y213 PolarHBondContact O-N 3.02Å; F210-Y213 HydrophobicContact CD2-CD1 4.19Å; F210-Y213 HydrophobicContact CE2-CD1 4.15Å; F210-Y213 HydrophobicContact CE2-CE1 4.36Å; F210-Y213 WeakPolarHBondContact O-CB 3.28Å; F210-Y213 PolarHBondContact O-N 3.43Å; Y213-A215 VanDerWaalsContact C-N 3.28Å; Y213-A215 PolarHBondContact O-N 2.9Å; Y213-I216 PolarHBondContact O-N 3.49Å; Y213-E217 HydrophobicContact CD2-CB 3.8Å; Y213-E217 HydrophobicContact CD2-CG 4.22Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.49Å; Y213-E217 HydrophobicContact CE2-CB 3.9Å; Y213-E217 PolarHBondContact O-N 3.45Å; Y213-E218 HydrophobicContact CE1-CG 4.14Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.36Å; Y213-E218 PolarHBondContact O-N 2.91Å; Y213-E218 PolarHBondContact OH-OE1 2.89Å; Y213-E246 WeakPolarHBondContact CD2-O 3.4Å; Y213-E246 HydrophobicContact CG-CB 4.36Å
214K98.8Very high98.4Very high34 Ų3443.1 Ų43.115%0.14823%0.228CC..Hα-helixtrans-59.9-37.9177-71-64.5-165-179.30113F210 A211 L212 E218 W224F210-K214 HydrophobicContact CD1-CG 4.23Å; F210-K214 HydrophobicContact CE1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.25Å; F210-K214 WeakPolarHBondContact O-CG 3.26Å; F210-K214 PolarHBondContact O-N 2.93Å; A211-K214 PolarHBondContact O-N 3.37Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.99Å; K214-E218 HydrophobicContact CD-CG 4.18Å; K214-E218 WeakPolarHBondContact CD-OE2 3.4Å; K214-E218 IonicContact NZ-OE1 3.59Å; K214-E218 PolarHBondContact NZ-OE1 2.81Å; K214-E218 IonicContact NZ-OE2 3.18Å; K214-E218 PolarHBondContact NZ-OE2 2.95Å; K214-W224 HydrophobicContact CB-CB 4.23Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.55Å; K214-W224 HydrophobicContact CB-CG 3.68Å; K214-W224 HydrophobicContact CB-CZ3 4.19Å; K214-W224 HydrophobicContact CD-CD2 4.23Å; K214-W224 HydrophobicContact CD-CZ2 4.1Å; K214-W224 HydrophobicContact CG-CD2 3.61Å; K214-W224 HydrophobicContact CG-CE3 3.76Å; K214-W224 HydrophobicContact CG-CG 4.24Å; K214-W224 HydrophobicContact CG-CH2 3.96Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.94Å
215A98.6Very high98.4Very high1 Ų142.8 Ų42.81%0.00823%0.226CC..Hα-helixtrans-74.4-32-177.300000113.9I138 A211 L212 Y213 V226 S227 Q230I138-A215 HydrophobicContact CD1-CB 4.08Å; A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.23Å; L212-A215 PolarHBondContact O-N 3.22Å; Y213-A215 VanDerWaalsContact C-N 3.28Å; Y213-A215 PolarHBondContact O-N 2.9Å; A215-V226 HydrophobicContact CB-CB 4.01Å; A215-V226 HydrophobicContact CB-CG1 3.78Å; A215-S227 WeakPolarHBondContact O-CA 3.44Å; A215-Q230 PolarHBondContact O-NE2 2.99Å
216I98.7Very high98.4Very high20 Ų2042.2 Ų42.210%0.10322%0.22CC..Hα-helixtrans-122.1-18.1-170.473162.6000116M1 L3 L212 Y213 F237 L247M1-I216 HydrophobicContact CE-CB 4.05Å; M1-I216 HydrophobicContact CE-CD1 3.98Å; M1-I216 HydrophobicContact SD-CB 4Å; M1-I216 HydrophobicContact SD-CG2 3.91Å; L3-I216 HydrophobicContact CD2-CD1 3.97Å; L212-I216 HydrophobicContact CD1-CD1 3.88Å; L212-I216 HydrophobicContact CD1-CG1 3.97Å; L212-I216 HydrophobicContact CD1-CG2 3.9Å; L212-I216 HydrophobicContact CG-CD1 4.27Å; L212-I216 HydrophobicContact CG-CG1 4.39Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.1Å; Y213-I216 PolarHBondContact O-N 3.49Å; I216-F237 HydrophobicContact CG2-CD2 4.35Å; I216-F237 HydrophobicContact CG2-CE1 4.21Å; I216-F237 HydrophobicContact CG2-CE2 4Å; I216-F237 HydrophobicContact CG2-CZ 3.93Å; I216-L247 HydrophobicContact CD1-CD1 4.04Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.01Å
217E98.8Very high98.5Very high39 Ų3939.9 Ų39.918%0.18220%0.2CC..THydrogen-bonded Turntrans-107.8-26.9177-64.5-158.7160.700113.7Y213 L247 R248 T251Y213-E217 HydrophobicContact CD2-CB 3.8Å; Y213-E217 HydrophobicContact CD2-CG 4.22Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.49Å; Y213-E217 HydrophobicContact CE2-CB 3.9Å; Y213-E217 PolarHBondContact O-N 3.45Å; E217-L247 HydrophobicContact CG-CD2 3.94Å; E217-R248 WeakPolarHBondContact OE1-CB 3.43Å; E217-R248 PolarHBondContact OE1-N 3.09Å; E217-R248 WeakPolarHBondContact OE2-CD 3.36Å; E217-R248 VanDerWaalsContact OE2-CG 3.3Å; E217-R248 WeakPolarHBondContact OE2-CG 3.32Å; E217-R248 PolarHBondContact OE2-N 2.89Å; E217-R248 IonicContact OE2-NE 3.71Å; E217-T251 WeakPolarHBondContact OE1-CB 3.45Å; E217-T251 PolarHBondContact OE1-OG1 3.29Å
218E98.8Very high98.6Very high61 Ų6134.3 Ų34.329%0.28518%0.175SC..SBendtrans-84.8177.9166.3-67.5-165.9-177.700111.4Y213 K214 Q230Y213-E218 HydrophobicContact CE1-CG 4.14Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.36Å; Y213-E218 PolarHBondContact O-N 2.91Å; Y213-E218 PolarHBondContact OH-OE1 2.89Å; K214-E218 HydrophobicContact CD-CG 4.18Å; K214-E218 WeakPolarHBondContact CD-OE2 3.4Å; K214-E218 IonicContact NZ-OE1 3.59Å; K214-E218 PolarHBondContact NZ-OE1 2.81Å; K214-E218 IonicContact NZ-OE2 3.18Å; K214-E218 PolarHBondContact NZ-OE2 2.95Å; E218-Q230 PolarHBondContact O-NE2 2.91Å
219G98.3Very high98.7Very high48 Ų4833.3 Ų33.350%0.49517%0.171SC..  trans-82.7167.8-179.600000113.4N221G219-N221 PolarHBondContact O-N 3.44Å
220V98.8Very high98.7Very high54 Ų5437.2 Ų37.233%0.32719%0.189SC..  trans-55.4119.4172.9179.50000110.5L153 Q230 Q231L153-V220 HydrophobicContact CD1-CG1 3.42Å; L153-V220 VanDerWaalsContact CD1-CG1 3.42Å; V220-Q230 HydrophobicContact CG2-CB 3.93Å; V220-Q230 HydrophobicContact CG2-CG 4.48Å; V220-Q231 HydrophobicContact CG2-CG 4.06Å
221N98.6Very high98.7Very high61 Ų6139.2 Ų39.233%0.32620%0.2SC..  trans-149.7128.2-173.5-172.3-23.9000110.9G219 M223 W224 S227G219-N221 PolarHBondContact O-N 3.44Å; N221-M223 PolarHBondContact O-N 3.32Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.47Å; N221-M223 WeakPolarHBondContact OD1-CG 3.48Å; N221-M223 PolarHBondContact OD1-N 3.38Å; N221-W224 CarbonylContact O-C 3.54Å; N221-W224 VanDerWaalsContact O-C 3.31Å; N221-W224 PolarHBondContact O-N 3.08Å; N221-W224 VanDerWaalsContact O-O 3.09Å; N221-S227 PolarHBondContact N-OG 2.74Å; N221-S227 PolarHBondContact O-OG 3.09Å; N221-S227 VanDerWaalsContact O-OG 3.07Å
222H98.3Very high98.7Very high91 Ų9139.7 Ų39.742%0.42120%0.202SC..THydrogen-bonded Turntrans-65.9-9.8178.775.2159.5000115.2G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 2.8Å; S151-H222 WeakPolarHBondContact O-CB 3.46Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4Å; H222-W224 VanDerWaalsContact C-N 3.31Å; H222-T225 WeakPolarHBondContact O-CG2 3.31Å
223M98.2Very high98.7Very high85 Ų8545.6 Ų45.642%0.41924%0.24SC..THydrogen-bonded Turntrans-77.7-18.4170.6-62.3-56-69.800112.8P149 N221P149-M223 HydrophobicContact CB-CE 3.65Å; P149-M223 WeakPolarHBondContact CB-O 3.33Å; P149-M223 HydrophobicContact CB-SD 4.12Å; N221-M223 PolarHBondContact O-N 3.32Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.47Å; N221-M223 WeakPolarHBondContact OD1-CG 3.48Å; N221-M223 PolarHBondContact OD1-N 3.38Å
224W98.5Very high98.7Very high45 Ų4547 Ų4717%0.1725%0.248CC..SBendtrans-13376.4179.5-55.694.3000107.6D141 G142 F210 A211 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.41Å; D141-W224 WeakPolarHBondContact O-CZ3 3.37Å; G142-W224 CarbonylContact O-C 3.56Å; F210-W224 AromaticContact CD1-CH2 3.82Å; F210-W224 HydrophobicContact CD1-CH2 3.82Å; F210-W224 HydrophobicContact CD1-CZ3 4.27Å; F210-W224 AromaticContact CE1-CH2 3.6Å; F210-W224 HydrophobicContact CE1-CH2 3.6Å; F210-W224 AromaticContact CE1-CZ2 3.95Å; F210-W224 HydrophobicContact CE1-CZ2 3.95Å; F210-W224 HydrophobicContact CE1-CZ3 4.42Å; A211-W224 HydrophobicContact CB-CZ3 4.38Å; K214-W224 HydrophobicContact CB-CB 4.23Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.55Å; K214-W224 HydrophobicContact CB-CG 3.68Å; K214-W224 HydrophobicContact CB-CZ3 4.19Å; K214-W224 HydrophobicContact CD-CD2 4.23Å; K214-W224 HydrophobicContact CD-CZ2 4.1Å; K214-W224 HydrophobicContact CG-CD2 3.61Å; K214-W224 HydrophobicContact CG-CE3 3.76Å; K214-W224 HydrophobicContact CG-CG 4.24Å; K214-W224 HydrophobicContact CG-CH2 3.96Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.94Å; N221-W224 CarbonylContact O-C 3.54Å; N221-W224 VanDerWaalsContact O-C 3.31Å; N221-W224 PolarHBondContact O-N 3.08Å; N221-W224 VanDerWaalsContact O-O 3.09Å; H222-W224 VanDerWaalsContact C-N 3.31Å; W224-V226 PolarHBondContact O-N 3.16Å; W224-V226 VanDerWaalsContact O-N 3.1Å; W224-S227 WeakPolarHBondContact O-CB 3.24Å; W224-S227 PolarHBondContact O-N 2.72Å; W224-S227 PolarHBondContact O-OG 2.8Å
225T98.7Very high98.7Very high1 Ų145.5 Ų45.51%0.00624%0.242CC..G310 helixtrans-64.2-22.5-16155.30000114.7G142 H143 I144 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-N 3.31Å; G142-T225 VanDerWaalsContact O-N 3.11Å; H143-T225 WeakPolarHBondContact CA-OG1 3.32Å; I144-T225 PolarHBondContact N-OG1 3.44Å; I144-T225 VanDerWaalsContact N-OG1 3.1Å; N147-T225 HydrophobicContact CB-CG2 4.27Å; N147-T225 VanDerWaalsContact O-CG2 3.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.48Å; N147-T225 PolarHBondContact O-OG1 2.94Å; L153-T225 HydrophobicContact CD2-CG2 4.11Å; V190-T225 HydrophobicContact CG2-CG2 4.27Å; H222-T225 WeakPolarHBondContact O-CG2 3.31Å; T225-S227 PolarHBondContact O-N 3.01Å; T225-A228 VanDerWaalsContact O-CB 3.23Å; T225-A228 WeakPolarHBondContact O-CB 3.34Å; T225-A228 PolarHBondContact O-N 3.42Å; T225-A228 VanDerWaalsContact O-N 3.09Å
226V98.8Very high98.7Very high0 Ų045.5 Ų45.50%024%0.242CC..G310 helixtrans-60.3-24.5169.2174.70000112.5I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.02Å; I138-V226 HydrophobicContact CD1-CG1 4.09Å; I138-V226 HydrophobicContact CD1-CG2 4.04Å; I138-V226 HydrophobicContact CG1-CB 4.31Å; I138-V226 HydrophobicContact CG1-CG2 3.77Å; G142-V226 WeakPolarHBondContact O-CG2 3.49Å; G142-V226 PolarHBondContact O-N 2.93Å; I144-V226 HydrophobicContact CB-CG2 3.89Å; I144-V226 HydrophobicContact CD1-CG2 4.49Å; A215-V226 HydrophobicContact CB-CB 4.01Å; A215-V226 HydrophobicContact CB-CG1 3.78Å; W224-V226 PolarHBondContact O-N 3.16Å; W224-V226 VanDerWaalsContact O-N 3.1Å; V226-A228 PolarHBondContact O-N 3.37Å; V226-A228 VanDerWaalsContact O-N 3.12Å; V226-F229 HydrophobicContact CB-CD2 4.42Å; V226-F229 HydrophobicContact CG1-CD2 3.96Å; V226-F229 HydrophobicContact CG1-CE2 4.41Å; V226-F229 HydrophobicContact CG2-CE2 4.5Å; V226-F229 WeakPolarHBondContact O-CD2 3.38Å; V226-F229 PolarHBondContact O-N 2.82Å; V226-F229 VanDerWaalsContact O-N 3.11Å; V226-F237 HydrophobicContact CG1-CE1 3.65Å; V226-F237 HydrophobicContact CG1-CZ 4.13Å
227S98.9Very high98.7Very high0 Ų044.7 Ų44.70%024%0.238CC..G310 helixtrans-60.5-2017469.30000113.4A215 N221 W224 T225 F229 Q230A215-S227 WeakPolarHBondContact O-CA 3.44Å; N221-S227 PolarHBondContact N-OG 2.74Å; N221-S227 PolarHBondContact O-OG 3.09Å; N221-S227 VanDerWaalsContact O-OG 3.07Å; W224-S227 WeakPolarHBondContact O-CB 3.24Å; W224-S227 PolarHBondContact O-N 2.72Å; W224-S227 PolarHBondContact O-OG 2.8Å; T225-S227 PolarHBondContact O-N 3.01Å; S227-F229 PolarHBondContact O-N 3.49Å; S227-Q230 WeakPolarHBondContact O-CB 3.2Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.25Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 VanDerWaalsContact O-N 3.08Å
228A98.9Very high98.7Very high4 Ų442.8 Ų42.83%0.03323%0.229CC..G310 helixtrans-55.8-32.7173.600000112.6L153 V190 M194 T225 V226 Q230 Q231L153-A228 HydrophobicContact CB-CB 4.5Å; L153-A228 HydrophobicContact CD1-CB 4.49Å; L153-A228 HydrophobicContact CD2-CB 4.12Å; V190-A228 HydrophobicContact CG1-CB 3.58Å; M194-A228 HydrophobicContact SD-CB 4.27Å; T225-A228 VanDerWaalsContact O-CB 3.23Å; T225-A228 WeakPolarHBondContact O-CB 3.34Å; T225-A228 PolarHBondContact O-N 3.42Å; T225-A228 VanDerWaalsContact O-N 3.09Å; V226-A228 PolarHBondContact O-N 3.37Å; V226-A228 VanDerWaalsContact O-N 3.12Å; A228-Q230 PolarHBondContact O-N 3.37Å; A228-Q230 VanDerWaalsContact O-N 3.1Å; A228-Q231 PolarHBondContact O-N 2.94Å
229F98.8Very high98.7Very high1 Ų139.9 Ų39.90%0.00422%0.215CC..G310 helixtrans-69.9-5.4-179.4-58.6-56.2000114.3I144 V193 M194 V199 I201 V226 S227 Q231 H232 T235 F237I144-F229 HydrophobicContact CB-CE2 4.2Å; I144-F229 HydrophobicContact CB-CZ 4.47Å; I144-F229 HydrophobicContact CD1-CE2 3.98Å; I144-F229 HydrophobicContact CD1-CZ 4.24Å; I144-F229 HydrophobicContact CG1-CE2 3.93Å; I144-F229 HydrophobicContact CG1-CZ 3.91Å; I144-F229 HydrophobicContact CG2-CE2 4.47Å; I144-F229 HydrophobicContact CG2-CZ 4.47Å; V193-F229 HydrophobicContact CB-CE1 4.24Å; V193-F229 HydrophobicContact CB-CZ 4.09Å; V193-F229 HydrophobicContact CG1-CE1 3.72Å; V193-F229 HydrophobicContact CG1-CZ 3.52Å; M194-F229 HydrophobicContact CG-CD1 4.39Å; M194-F229 HydrophobicContact CG-CE1 4.11Å; M194-F229 HydrophobicContact SD-CD1 3.42Å; M194-F229 WeakPolarHBondContact SD-CD1 3.4Å; M194-F229 HydrophobicContact SD-CE1 3.75Å; M194-F229 HydrophobicContact SD-CG 4.41Å; V199-F229 HydrophobicContact CB-CD1 4.41Å; V199-F229 HydrophobicContact CB-CE1 4.42Å; V199-F229 HydrophobicContact CG1-CD1 4.14Å; V199-F229 HydrophobicContact CG1-CE1 3.94Å; V199-F229 HydrophobicContact CG1-CE2 4.33Å; V199-F229 HydrophobicContact CG1-CG 4.46Å; V199-F229 HydrophobicContact CG1-CZ 4.05Å; V199-F229 HydrophobicContact CG2-CD1 4.2Å; V199-F229 HydrophobicContact CG2-CE1 3.97Å; I201-F229 HydrophobicContact CD1-CD2 4.34Å; I201-F229 HydrophobicContact CD1-CE2 3.92Å; I201-F229 HydrophobicContact CG1-CD2 4.29Å; I201-F229 HydrophobicContact CG1-CE2 4.36Å; V226-F229 HydrophobicContact CB-CD2 4.42Å; V226-F229 HydrophobicContact CG1-CD2 3.96Å; V226-F229 HydrophobicContact CG1-CE2 4.41Å; V226-F229 HydrophobicContact CG2-CE2 4.5Å; V226-F229 WeakPolarHBondContact O-CD2 3.38Å; V226-F229 PolarHBondContact O-N 2.82Å; V226-F229 VanDerWaalsContact O-N 3.11Å; S227-F229 PolarHBondContact O-N 3.49Å; F229-Q231 PolarHBondContact O-N 3.32Å; F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.11Å; F229-H232 PolarHBondContact O-N 3.4Å; F229-T235 HydrophobicContact CB-CG2 3.9Å; F229-T235 HydrophobicContact CG-CG2 4.34Å; F229-F237 HydrophobicContact CB-CZ 4.32Å
230Q98.8Very high98.7Very high84 Ų8438 Ų3839%0.39319%0.194SC..G310 helixtrans-60.4-26.2164.8-65.5-179.424.200111.9A215 E218 V220 S227 A228A215-Q230 PolarHBondContact O-NE2 2.99Å; E218-Q230 PolarHBondContact O-NE2 2.91Å; V220-Q230 HydrophobicContact CG2-CB 3.93Å; V220-Q230 HydrophobicContact CG2-CG 4.48Å; S227-Q230 WeakPolarHBondContact O-CB 3.2Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.25Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 VanDerWaalsContact O-N 3.08Å; A228-Q230 PolarHBondContact O-N 3.37Å; A228-Q230 VanDerWaalsContact O-N 3.1Å
231Q98.8Very high98.7Very high141 Ų14138 Ų3866%0.65919%0.19SC*.G310 helixtrans-97.4-0.6177.7-55.2-173.518.200113.2M194 V220 A228 F229M194-Q231 HydrophobicContact CE-CB 4.33Å; V220-Q231 HydrophobicContact CG2-CG 4.06Å; A228-Q231 PolarHBondContact O-N 2.94Å; F229-Q231 PolarHBondContact O-N 3.32Å
232H98.9Very high98.7Very high12 Ų1239.2 Ų39.26%0.05620%0.197CC..  trans-83.6133.9178.5-172.8-95.2000110.4M194 A196 F229 Q234 T235M194-H232 HydrophobicContact CE-CB 3.94Å; M194-H232 PolarHBondContact O-CD2 3.39Å; M194-H232 PolarHBondContact O-NE2 3.46Å; M194-H232 HydrophobicContact SD-CB 3.79Å; A196-H232 PolarHBondContact O-NE2 3.2Å; F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.11Å; F229-H232 PolarHBondContact O-N 3.4Å; H232-Q234 PolarHBondContact CE1-O 3.11Å; H232-Q234 PolarHBondContact ND1-N 2.87Å; H232-Q234 VanDerWaalsContact ND1-N 3.16Å; H232-Q234 PolarHBondContact ND1-O 3.29Å; H232-Q234 PolarHBondContact O-N 3.04Å; H232-T235 WeakPolarHBondContact CB-OG1 3.48Å; H232-T235 PolarHBondContact ND1-OG1 2.68Å
233P98.5Very high98.7Very high123 Ų12334.9 Ų34.980%0.79918%0.177SC*.SBendtrans-64.8-28.2-174.225-35.3000113.2
234Q98.6Very high98.8Very high82 Ų8231.3 Ų31.338%0.38316%0.16SC..SBendtrans-141.881-172.6-167.5164.7-34.100112E198 V199 H232E198-Q234 WeakPolarHBondContact CA-O 3.43Å; E198-Q234 HydrophobicContact CB-CG 4.16Å; E198-Q234 VanDerWaalsContact CD-NE2 3.31Å; E198-Q234 HydrophobicContact CG-CG 3.92Å; E198-Q234 PolarHBondContact OE2-NE2 2.95Å; V199-Q234 PolarHBondContact N-O 3.48Å; H232-Q234 PolarHBondContact CE1-O 3.11Å; H232-Q234 PolarHBondContact ND1-N 2.87Å; H232-Q234 VanDerWaalsContact ND1-N 3.16Å; H232-Q234 PolarHBondContact ND1-O 3.29Å; H232-Q234 PolarHBondContact O-N 3.04Å
235T98.9Very high98.8Very high2 Ų234.5 Ų34.51%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-116.5133.9174.2-57.70000112.2M1 K2 V199 F229 H232 F237M1-T235 CarbonylContact C-O 3.6Å; M1-T235 WeakPolarHBondContact CA-O 3.48Å; K2-T235 PolarHBondContact N-O 3.43Å; V199-T235 HydrophobicContact CB-CG2 4.25Å; V199-T235 HydrophobicContact CG1-CG2 4.29Å; V199-T235 CarbonylContact O-C 3.31Å; V199-T235 VanDerWaalsContact O-CA 3.3Å; V199-T235 WeakPolarHBondContact O-CA 3.47Å; F229-T235 HydrophobicContact CB-CG2 3.9Å; F229-T235 HydrophobicContact CG-CG2 4.34Å; H232-T235 WeakPolarHBondContact CB-OG1 3.48Å; H232-T235 PolarHBondContact ND1-OG1 2.68Å; T235-F237 HydrophobicContact CG2-CD2 4.02Å; T235-F237 HydrophobicContact CG2-CE2 3.52Å; T235-F237 HydrophobicContact CG2-CZ 3.83Å
236V98.9Very high98.8Very high1 Ų139.5 Ų39.51%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-114.4125.1173.3-1740000109.3K2 I4 W15 E198 V199 M200 I201 V238K2-V236 HydrophobicContact CB-CG1 4.34Å; K2-V236 HydrophobicContact CB-CG2 4.33Å; K2-V236 HydrophobicContact CD-CG2 4.2Å; K2-V236 CarbonylContact O-C 3.56Å; K2-V236 WeakPolarHBondContact O-CA 3.31Å; I4-V236 HydrophobicContact CD1-CG1 4.35Å; I4-V236 HydrophobicContact CG1-CG1 3.8Å; W15-V236 HydrophobicContact CH2-CG1 4.05Å; W15-V236 HydrophobicContact CZ3-CG1 4.1Å; E198-V236 WeakPolarHBondContact OE1-CG2 3.29Å; V199-V236 PolarHBondContact O-N 3.45Å; M200-V236 CarbonylContact C-O 3.58Å; M200-V236 VanDerWaalsContact CA-O 3.25Å; M200-V236 WeakPolarHBondContact CA-O 3.35Å; M200-V236 HydrophobicContact CG-CB 4.49Å; I201-V236 PolarHBondContact N-O 3.4Å; V236-V238 HydrophobicContact CG1-CG2 4.01Å
237F98.9Very high98.8Very high3 Ų340.1 Ų40.11%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-100.9125.6168.9-67.5-87.6000108.1M1 K2 L3 I4 I201 I203 L212 I216 V226 F229 T235M1-F237 HydrophobicContact CB-CD2 4.07Å; M1-F237 HydrophobicContact CB-CE2 4.02Å; M1-F237 HydrophobicContact SD-CD2 3.97Å; M1-F237 HydrophobicContact SD-CE2 3.97Å; K2-F237 PolarHBondContact O-N 2.95Å; L3-F237 CarbonylContact C-O 3.54Å; L3-F237 WeakPolarHBondContact CA-O 3.43Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; I4-F237 PolarHBondContact N-O 2.81Å; I201-F237 HydrophobicContact CB-CD1 3.73Å; I201-F237 HydrophobicContact CB-CE1 3.89Å; I201-F237 HydrophobicContact CG1-CD1 4.18Å; I201-F237 HydrophobicContact CG1-CE1 3.86Å; I201-F237 HydrophobicContact CG2-CD1 4.22Å; I201-F237 HydrophobicContact CG2-CE1 4.28Å; I201-F237 WeakPolarHBondContact O-CA 3.49Å; I203-F237 HydrophobicContact CD1-CD1 3.81Å; I203-F237 HydrophobicContact CD1-CE1 4.45Å; L212-F237 HydrophobicContact CD1-CD1 4.44Å; I216-F237 HydrophobicContact CG2-CD2 4.35Å; I216-F237 HydrophobicContact CG2-CE1 4.21Å; I216-F237 HydrophobicContact CG2-CE2 4Å; I216-F237 HydrophobicContact CG2-CZ 3.93Å; V226-F237 HydrophobicContact CG1-CE1 3.65Å; V226-F237 HydrophobicContact CG1-CZ 4.13Å; F229-F237 HydrophobicContact CB-CZ 4.32Å; T235-F237 HydrophobicContact CG2-CD2 4.02Å; T235-F237 HydrophobicContact CG2-CE2 3.52Å; T235-F237 HydrophobicContact CG2-CZ 3.83Å
238V98.9Very high98.8Very high0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-114.3120.9176.4-173.60000107.4I4 L6 A12 W15 M200 I201 L202 I203 V236I4-V238 HydrophobicContact CB-CG1 4.44Å; I4-V238 HydrophobicContact CB-CG2 4.42Å; I4-V238 HydrophobicContact CG1-CG2 4.23Å; L6-V238 HydrophobicContact CD2-CG1 3.75Å; A12-V238 HydrophobicContact CB-CG1 4.31Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.36Å; W15-V238 HydrophobicContact CE3-CG1 3.9Å; W15-V238 HydrophobicContact CE3-CG2 3.46Å; W15-V238 VanDerWaalsContact CE3-CG2 3.46Å; W15-V238 HydrophobicContact CH2-CG2 4.5Å; W15-V238 HydrophobicContact CZ3-CG2 3.44Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.44Å; M200-V238 HydrophobicContact CG-CG2 3.96Å; M200-V238 HydrophobicContact SD-CG2 3.9Å; I201-V238 PolarHBondContact O-N 2.87Å; L202-V238 CarbonylContact C-O 3.52Å; L202-V238 WeakPolarHBondContact CA-O 3.4Å; L202-V238 HydrophobicContact CD1-CB 3.95Å; L202-V238 HydrophobicContact CD1-CG1 3.89Å; I203-V238 PolarHBondContact N-O 2.82Å; V236-V238 HydrophobicContact CG1-CG2 4.01Å
239C98.8Very high98.8Very high0 Ų052.6 Ų52.60%026%0.264CS..EExtended strand (participates in β ladder)trans-140.9159.8-177.2720000113.9I4 L6 I203 L212 A243 T244I4-C239 PolarHBondContact O-N 3.46Å; I4-C239 PolarHBondContact O-SG 2.99Å; L6-C239 WeakPolarHBondContact CD2-O 3.26Å; L6-C239 PolarHBondContact N-O 2.79Å; I203-C239 HydrophobicContact CB-CB 4.15Å; I203-C239 WeakPolarHBondContact O-CA 3.21Å; I203-C239 WeakPolarHBondContact O-CB 3.35Å; L212-C239 HydrophobicContact CD2-CB 4.45Å; C239-A243 HydrophobicContact CB-CB 3.89Å; C239-T244 VanDerWaalsContact SG-CG2 3.59Å
240D98.8Very high98.8Very high9 Ų961 Ų615%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-85.7173166.2627.5000111.3L6 I203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 VanDerWaalsContact O-CA 3.23Å; L6-D240 WeakPolarHBondContact O-CA 3.43Å; I203-D240 PolarHBondContact O-N 3.09Å; T204-D240 WeakPolarHBondContact CA-OD1 3.41Å; T204-D240 WeakPolarHBondContact CA-OD2 3.44Å; T204-D240 WeakPolarHBondContact CB-OD2 3.36Å; G205-D240 VanDerWaalsContact N-CG 3.32Å; G205-D240 PolarHBondContact N-OD1 3.04Å; G205-D240 PolarHBondContact N-OD2 3.06Å; D240-D242 VanDerWaalsContact C-N 3.31Å; D240-D242 PolarHBondContact O-N 2.92Å; D240-A243 PolarHBondContact O-N 3.3Å; D240-A243 VanDerWaalsContact OD1-CB 3.25Å; D240-A243 WeakPolarHBondContact OD1-CB 3.06Å; D240-A243 PolarHBondContact OD1-N 3.01Å
241E98.6Very high98.8Very high53 Ų5358.4 Ų58.425%0.24829%0.29CS..SBendtrans-59.5-42.8178-71.6-69.9156.600111.7L6 A243 T244 K256L6-E241 PolarHBondContact O-N 2.87Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 2.99Å; E241-T244 WeakPolarHBondContact O-CA 3.44Å; E241-T244 WeakPolarHBondContact O-CB 3.4Å; E241-T244 PolarHBondContact O-N 3.21Å; E241-T244 PolarHBondContact O-OG1 3.4Å; E241-K256 WeakPolarHBondContact OE1-CE 3.3Å; E241-K256 IonicContact OE1-NZ 2.71Å; E241-K256 PolarHBondContact OE1-NZ 3.13Å; E241-K256 IonicContact OE2-NZ 2.84Å; E241-K256 PolarHBondContact OE2-NZ 3.39Å
242D98.7Very high98.7Very high86 Ų8652.7 Ų52.746%0.4626%0.264SS..G310 helixtrans-60.9-35.3-176.9-78.3-1.7000112.4A206 D240 T244 L245A206-D242 WeakPolarHBondContact CA-O 3.19Å; A206-D242 HydrophobicContact CB-CB 4.34Å; D240-D242 VanDerWaalsContact C-N 3.31Å; D240-D242 PolarHBondContact O-N 2.92Å; D242-T244 PolarHBondContact O-N 2.68Å; D242-L245 WeakPolarHBondContact O-CD1 3.17Å; D242-L245 WeakPolarHBondContact O-CG 3.36Å; D242-L245 PolarHBondContact O-N 2.88Å
243A98.8Very high98.7Very high0 Ų059.3 Ų59.30%029%0.293CS..G310 helixtrans-66.1-13.8173.800000113.4I203 A209 L212 C239 D240 E241I203-A243 HydrophobicContact CG2-CB 3.87Å; A209-A243 VanDerWaalsContact CA-O 3.24Å; A209-A243 WeakPolarHBondContact CA-O 3.27Å; A209-A243 WeakPolarHBondContact CB-O 3.45Å; L212-A243 HydrophobicContact CD2-CB 4.39Å; L212-A243 WeakPolarHBondContact CD2-O 3.49Å; C239-A243 HydrophobicContact CB-CB 3.89Å; D240-A243 PolarHBondContact O-N 3.3Å; D240-A243 VanDerWaalsContact OD1-CB 3.25Å; D240-A243 WeakPolarHBondContact OD1-CB 3.06Å; D240-A243 PolarHBondContact OD1-N 3.01Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 2.99Å
244T98.8Very high98.7Very high11 Ų1160.3 Ų60.37%0.06728%0.282CS..G310 helixtrans-961.5-177.772.50000114.6I5 C239 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.18Å; I5-T244 HydrophobicContact CG1-CG2 4.26Å; I5-T244 HydrophobicContact CG2-CG2 3.97Å; C239-T244 VanDerWaalsContact SG-CG2 3.59Å; E241-T244 WeakPolarHBondContact O-CA 3.44Å; E241-T244 WeakPolarHBondContact O-CB 3.4Å; E241-T244 PolarHBondContact O-N 3.21Å; E241-T244 PolarHBondContact O-OG1 3.4Å; D242-T244 PolarHBondContact O-N 2.68Å; T244-E246 PolarHBondContact O-N 3.07Å; T244-E246 VanDerWaalsContact O-N 3.11Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 WeakPolarHBondContact O-CB 3.12Å; T244-L247 PolarHBondContact O-N 3.08Å
245L98.8Very high98.7Very high112 Ų11257.1 Ų57.159%0.58627%0.267SS*.THydrogen-bonded Turntrans-57.3-30.4-171.7-71.1170.6000114.8A206 A209 D242A206-L245 HydrophobicContact CB-CD1 3.61Å; A209-L245 HydrophobicContact CB-CB 4.04Å; D242-L245 WeakPolarHBondContact O-CD1 3.17Å; D242-L245 WeakPolarHBondContact O-CG 3.36Å; D242-L245 PolarHBondContact O-N 2.88Å
246E98.8Very high98.7Very high105 Ų10561.1 Ų61.149%0.49128%0.284SS..THydrogen-bonded Turntrans-94.1-2.2179.2-64.3-63.8155.500113.2A209 F210 Y213 T244A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.86Å; F210-E246 HydrophobicContact CB-CG 4.29Å; F210-E246 HydrophobicContact CD2-CG 4.49Å; Y213-E246 WeakPolarHBondContact CD2-O 3.4Å; Y213-E246 HydrophobicContact CG-CB 4.36Å; T244-E246 PolarHBondContact O-N 3.07Å; T244-E246 VanDerWaalsContact O-N 3.11Å
247L98.9Very high98.6Very high14 Ų1463.3 Ų63.37%0.07331%0.307CS..SBendtrans-80.6150.2179.1-60.9-175.5000111.6L3 L212 I216 E217 T244 V249 V252L3-L247 HydrophobicContact CD2-CD1 4.12Å; L212-L247 HydrophobicContact CD2-CD1 4Å; L212-L247 HydrophobicContact CG-CD1 4.33Å; L212-L247 HydrophobicContact CG-CD2 4.28Å; I216-L247 HydrophobicContact CD1-CD1 4.04Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.01Å; E217-L247 HydrophobicContact CG-CD2 3.94Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 WeakPolarHBondContact O-CB 3.12Å; T244-L247 PolarHBondContact O-N 3.08Å; L247-V249 PolarHBondContact O-N 2.92Å; L247-V252 HydrophobicContact CB-CG2 3.88Å; L247-V252 HydrophobicContact CD1-CG2 4.34Å
248R98.8Very high98.5Very high164 Ų16465.1 Ų65.162%0.61932%0.316SS*.  trans-64.1138.6172.4-67.9166.2-172-165.91.5109.9E217 K250 T251 V252E217-R248 WeakPolarHBondContact OE1-CB 3.43Å; E217-R248 PolarHBondContact OE1-N 3.09Å; E217-R248 WeakPolarHBondContact OE2-CD 3.36Å; E217-R248 VanDerWaalsContact OE2-CG 3.3Å; E217-R248 WeakPolarHBondContact OE2-CG 3.32Å; E217-R248 PolarHBondContact OE2-N 2.89Å; E217-R248 IonicContact OE2-NE 3.71Å; R248-K250 PolarHBondContact O-N 2.86Å; R248-T251 WeakPolarHBondContact O-CA 3.47Å; R248-T251 VanDerWaalsContact O-CB 3.31Å; R248-T251 WeakPolarHBondContact O-CB 3.23Å; R248-T251 PolarHBondContact O-N 3.13Å; R248-V252 PolarHBondContact O-N 2.99Å; R248-V252 VanDerWaalsContact O-N 3.14Å
249V98.5Very high98.4Very high102 Ų10266.3 Ų66.362%0.61832%0.322SS*.Hα-helixtrans-50.2-36.8173.8175.40000112.2L247 K253L247-V249 PolarHBondContact O-N 2.92Å; V249-K253 HydrophobicContact CG1-CD 3.9Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.21Å; V249-K253 VanDerWaalsContact O-CG 3.29Å; V249-K253 WeakPolarHBondContact O-CG 3.37Å; V249-K253 PolarHBondContact O-N 2.96Å
250K98.6Very high98.2Very high177 Ų17772.8 Ų72.877%0.7735%0.352SS*.Hα-helixtrans-63-42.8177.6-174.5179-71.8-177.40112R248 Y254R248-K250 PolarHBondContact O-N 2.86Å; K250-Y254 WeakPolarHBondContact O-CB 3.5Å; K250-Y254 PolarHBondContact O-N 2.85Å
251T98.7Very high98Very high30 Ų3075 Ų7518%0.18437%0.366CS..Hα-helixtrans-61.9-52.5177.1-53.10000110.2E217 R248 K253 Y254 F255E217-T251 WeakPolarHBondContact OE1-CB 3.45Å; E217-T251 PolarHBondContact OE1-OG1 3.29Å; R248-T251 WeakPolarHBondContact O-CA 3.47Å; R248-T251 VanDerWaalsContact O-CB 3.31Å; R248-T251 WeakPolarHBondContact O-CB 3.23Å; R248-T251 PolarHBondContact O-N 3.13Å; T251-K253 PolarHBondContact O-N 2.95Å; T251-Y254 PolarHBondContact O-N 2.85Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.12Å; T251-F255 WeakPolarHBondContact O-CD2 3.42Å; T251-F255 PolarHBondContact O-N 2.82Å
252V98.6Very high97.8Very high20 Ų2073.2 Ų73.212%0.12136%0.357CS..Hα-helixtrans-59.2-47.5179.1175.80000111.2I5 L247 R248 Y254 F255 K256I5-V252 HydrophobicContact CD1-CB 4.41Å; I5-V252 HydrophobicContact CD1-CG1 3.97Å; L247-V252 HydrophobicContact CB-CG2 3.88Å; L247-V252 HydrophobicContact CD1-CG2 4.34Å; R248-V252 PolarHBondContact O-N 2.99Å; R248-V252 VanDerWaalsContact O-N 3.14Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 3.16Å; V252-F255 PolarHBondContact O-N 3Å; V252-K256 HydrophobicContact CG1-CD 3.93Å; V252-K256 HydrophobicContact CG1-CG 4.2Å; V252-K256 WeakPolarHBondContact O-CB 3.5Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 2.81Å
253K98.4Very high97.6Very high151 Ų15171.9 Ų71.966%0.65735%0.35SS*.Hα-helixtrans-59.2-42.3179.2-80-176.2176.9-177.20112.5V249 T251 G257V249-K253 HydrophobicContact CG1-CD 3.9Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.21Å; V249-K253 VanDerWaalsContact O-CG 3.29Å; V249-K253 WeakPolarHBondContact O-CG 3.37Å; V249-K253 PolarHBondContact O-N 2.96Å; T251-K253 PolarHBondContact O-N 2.95Å; K253-G257 PolarHBondContact O-N 3.15Å
254Y98.6Very high97.4Very high145 Ų14579.2 Ų79.257%0.56938%0.378SS*.Hα-helixtrans-60.5-51.2178.5177.3-102.8000111.3K250 T251 V252 G257 M258K250-Y254 WeakPolarHBondContact O-CB 3.5Å; K250-Y254 PolarHBondContact O-N 2.85Å; T251-Y254 PolarHBondContact O-N 2.85Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 3.16Å; Y254-G257 PolarHBondContact O-N 2.76Å; Y254-M258 HydrophobicContact CD1-CE 3.67Å; Y254-M258 HydrophobicContact CE1-CE 3.18Å; Y254-M258 HydrophobicContact CE1-SD 3.76Å; Y254-M258 HydrophobicContact CE2-SD 4.4Å; Y254-M258 PolarHBondContact O-N 3.49Å
255F98.5Very high97.3Very high15 Ų1581.1 Ų81.17%0.06639%0.387CS..Hα-helixtrans-72.3-36.6-177.6-75.4-73.3000113.6M1 L3 I5 T251 V252 G257 M258 M259M1-F255 HydrophobicContact CE-CE2 3.65Å; M1-F255 HydrophobicContact CE-CZ 3.57Å; M1-F255 HydrophobicContact CG-CZ 4.24Å; L3-F255 HydrophobicContact CB-CB 4.14Å; L3-F255 HydrophobicContact CB-CD1 3.59Å; L3-F255 HydrophobicContact CB-CD2 3.85Å; L3-F255 HydrophobicContact CB-CE1 3.88Å; L3-F255 HydrophobicContact CB-CE2 4.11Å; L3-F255 HydrophobicContact CB-CG 3.6Å; L3-F255 HydrophobicContact CB-CZ 4.14Å; L3-F255 HydrophobicContact CD2-CB 4.29Å; L3-F255 HydrophobicContact CD2-CD2 3.75Å; L3-F255 HydrophobicContact CD2-CE2 4.31Å; L3-F255 HydrophobicContact CD2-CG 4.09Å; L3-F255 HydrophobicContact CG-CB 4.4Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.25Å; I5-F255 HydrophobicContact CD1-CB 4.2Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.12Å; T251-F255 WeakPolarHBondContact O-CD2 3.42Å; T251-F255 PolarHBondContact O-N 2.82Å; V252-F255 PolarHBondContact O-N 3Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3Å; F255-M258 HydrophobicContact CD1-CE 3.16Å; F255-M258 HydrophobicContact CE1-CE 3.4Å; F255-M258 HydrophobicContact CG-CE 4.04Å; F255-M258 HydrophobicContact CZ-CE 4.41Å; F255-M258 PolarHBondContact O-N 3.29Å; F255-M259 PolarHBondContact O-N 2.95Å
256K97.6Very high97.1Very high86 Ų8676.6 Ų76.637%0.37436%0.364SS..Hα-helixtrans-58.5-40.7168.9-76.6-170176.7179.70111.6I5 E241 V252 M258 M259I5-K256 HydrophobicContact CB-CG 4.44Å; I5-K256 HydrophobicContact CD1-CG 4.21Å; E241-K256 WeakPolarHBondContact OE1-CE 3.3Å; E241-K256 IonicContact OE1-NZ 2.71Å; E241-K256 PolarHBondContact OE1-NZ 3.13Å; E241-K256 IonicContact OE2-NZ 2.84Å; E241-K256 PolarHBondContact OE2-NZ 3.39Å; V252-K256 HydrophobicContact CG1-CD 3.93Å; V252-K256 HydrophobicContact CG1-CG 4.2Å; V252-K256 WeakPolarHBondContact O-CB 3.5Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 2.81Å; K256-M258 PolarHBondContact O-N 3.44Å; K256-M259 WeakPolarHBondContact O-CB 3.45Å; K256-M259 PolarHBondContact O-N 3.38Å; K256-M259 VanDerWaalsContact O-N 3.12Å
257G97.4Very high96.6Very high47 Ų4777 Ų7749%0.48537%0.366SS..Hα-helixtrans-59.4-26.7174.600000113.8K253 Y254 F255 H260K253-G257 PolarHBondContact O-N 3.15Å; Y254-G257 PolarHBondContact O-N 2.76Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3Å; G257-H260 PolarHBondContact O-CE1 2.96Å; G257-H260 PolarHBondContact O-ND1 2.9Å
258M96.5Very high95.3Very high41 Ų4180 Ų8020%0.20239%0.385CS..THydrogen-bonded Turntrans-93-2.4178.4-63.9-167.9-60.800114.4Y254 F255 K256 H260 V261 H262Y254-M258 HydrophobicContact CD1-CE 3.67Å; Y254-M258 HydrophobicContact CE1-CE 3.18Å; Y254-M258 HydrophobicContact CE1-SD 3.76Å; Y254-M258 HydrophobicContact CE2-SD 4.4Å; Y254-M258 PolarHBondContact O-N 3.49Å; F255-M258 HydrophobicContact CD1-CE 3.16Å; F255-M258 HydrophobicContact CE1-CE 3.4Å; F255-M258 HydrophobicContact CG-CE 4.04Å; F255-M258 HydrophobicContact CZ-CE 4.41Å; F255-M258 PolarHBondContact O-N 3.29Å; K256-M258 PolarHBondContact O-N 3.44Å; M258-H260 PolarHBondContact O-N 3.33Å; M258-H260 VanDerWaalsContact O-N 3.17Å; M258-V261 WeakPolarHBondContact O-CA 3.32Å; M258-V261 WeakPolarHBondContact O-CB 3.38Å; M258-V261 PolarHBondContact O-N 3.03Å; M258-H262 PolarHBondContact O-N 2.86Å
259M96.6Very high93.5Very high25 Ų2573.9 Ų73.912%0.12336%0.364CS..Hα-helixtrans-58.7-33.3-176.2-77.1-63.3-66.400113.2I4 L6 F255 K256 V261 H262 N263I4-M259 HydrophobicContact CB-SD 4.42Å; I4-M259 HydrophobicContact CG2-CE 3.63Å; I4-M259 HydrophobicContact CG2-SD 3.75Å; L6-M259 HydrophobicContact CD1-CE 3.81Å; F255-M259 PolarHBondContact O-N 2.95Å; K256-M259 WeakPolarHBondContact O-CB 3.45Å; K256-M259 PolarHBondContact O-N 3.38Å; K256-M259 VanDerWaalsContact O-N 3.12Å; M259-V261 VanDerWaalsContact C-N 3.28Å; M259-V261 PolarHBondContact O-N 2.89Å; M259-H262 PolarHBondContact O-N 3.39Å; M259-N263 WeakPolarHBondContact CE-OD1 3.38Å; M259-N263 VanDerWaalsContact O-CB 3.28Å; M259-N263 WeakPolarHBondContact O-CB 3.47Å; M259-N263 PolarHBondContact O-N 3.19Å; M259-N263 PolarHBondContact O-ND2 3.31Å
260H94.4Very high91.3Very high136 Ų13674.2 Ų74.263%0.6337%0.369SS*.Hα-helixtrans-61.6-34.2173.571.5-79.1000112.8G257 M258G257-H260 PolarHBondContact O-CE1 2.96Å; G257-H260 PolarHBondContact O-ND1 2.9Å; M258-H260 PolarHBondContact O-N 3.33Å; M258-H260 VanDerWaalsContact O-N 3.17Å
261V95.5Very high88.9Confident56 Ų5670.5 Ų70.534%0.33937%0.365SS..Hα-helixtrans-73.3-45.7174173.20000110.4M258 M259 R264M258-V261 WeakPolarHBondContact O-CA 3.32Å; M258-V261 WeakPolarHBondContact O-CB 3.38Å; M258-V261 PolarHBondContact O-N 3.03Å; M259-V261 VanDerWaalsContact C-N 3.28Å; M259-V261 PolarHBondContact O-N 2.89Å; V261-R264 WeakPolarHBondContact O-CB 3.38Å; V261-R264 PolarHBondContact O-N 3.46Å; V261-R264 PolarHBondContact O-NE 3.08Å
262H94.6Very high86.6Confident15 Ų1573 Ų737%0.06938%0.375CS..Hα-helixtrans-74.1-29-174.1-63.2161.5000113.6I4 M258 M259 R264 L265I4-H262 HydrophobicContact CD1-CB 3.52Å; I4-H262 WeakPolarHBondContact CD1-ND1 3.36Å; M258-H262 PolarHBondContact O-N 2.86Å; M259-H262 PolarHBondContact O-N 3.39Å; H262-R264 PolarHBondContact O-N 2.89Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 VanDerWaalsContact O-CG 3.23Å; H262-L265 WeakPolarHBondContact O-CG 3.34Å; H262-L265 PolarHBondContact O-N 3.46Å
263N95.2Very high83.9Confident58 Ų5879.4 Ų79.431%0.3140%0.403SS..Hα-helixtrans-64.7-23.3176.3-76.4-16.6000112.6W15 M259 L265 V266 E267W15-N263 PolarHBondContact NE1-OD1 3.44Å; M259-N263 WeakPolarHBondContact CE-OD1 3.38Å; M259-N263 VanDerWaalsContact O-CB 3.28Å; M259-N263 WeakPolarHBondContact O-CB 3.47Å; M259-N263 PolarHBondContact O-N 3.19Å; M259-N263 PolarHBondContact O-ND2 3.31Å; N263-L265 PolarHBondContact O-N 3.15Å; N263-L265 VanDerWaalsContact O-N 3.09Å; N263-V266 WeakPolarHBondContact O-CG2 3.49Å; N263-V266 PolarHBondContact O-N 3.07Å; N263-E267 PolarHBondContact O-N 2.85Å; N263-E267 VanDerWaalsContact O-N 3.12Å
264R94.8Very high81.2Confident154 Ų15481.5 Ų81.558%0.58141%0.412SS*.THydrogen-bonded Turntrans-59.3-20.1170-62.3-172.9-74.8-178.4-9.1113.8V261 H262 V266V261-R264 WeakPolarHBondContact O-CB 3.38Å; V261-R264 PolarHBondContact O-N 3.46Å; V261-R264 PolarHBondContact O-NE 3.08Å; H262-R264 PolarHBondContact O-N 2.89Å; R264-V266 VanDerWaalsContact C-N 3.27Å; R264-V266 PolarHBondContact O-N 3.47Å
265L94.7Very high78.2Confident50 Ų5088.1 Ų88.126%0.26244%0.444SS..THydrogen-bonded Turntrans-71.7-23.6175.7-59.3172.9000112.7K2 W15 Y19 N22 H262 N263K2-L265 HydrophobicContact CD-CD1 4.02Å; W15-L265 HydrophobicContact CH2-CD1 4.36Å; W15-L265 HydrophobicContact CZ2-CB 4.35Å; W15-L265 HydrophobicContact CZ2-CD1 4.36Å; Y19-L265 HydrophobicContact CD2-CB 3.96Å; Y19-L265 HydrophobicContact CE2-CB 3.84Å; Y19-L265 HydrophobicContact CE2-CD1 4.23Å; Y19-L265 HydrophobicContact CE2-CD2 4.49Å; Y19-L265 HydrophobicContact CE2-CG 4.41Å; N22-L265 PolarHBondContact ND2-O 2.94Å; N22-L265 VanDerWaalsContact ND2-O 3.14Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 VanDerWaalsContact O-CG 3.23Å; H262-L265 WeakPolarHBondContact O-CG 3.34Å; H262-L265 PolarHBondContact O-N 3.46Å; N263-L265 PolarHBondContact O-N 3.15Å; N263-L265 VanDerWaalsContact O-N 3.09Å
266V95.6Very high77.2Confident17 Ų1791.8 Ų91.810%0.10346%0.463CS..THydrogen-bonded Turntrans-117.1-0.2-175.5-63.30000113.4W15 K18 Y19 N22 N263 R264W15-V266 HydrophobicContact CD2-CG1 3.82Å; W15-V266 HydrophobicContact CE3-CG1 4.33Å; W15-V266 HydrophobicContact CG-CG1 4.19Å; W15-V266 HydrophobicContact CG-CG2 4.47Å; W15-V266 HydrophobicContact CH2-CG1 4.3Å; W15-V266 HydrophobicContact CZ2-CG1 3.82Å; K18-V266 HydrophobicContact CB-CB 3.74Å; K18-V266 HydrophobicContact CB-CG1 3.88Å; K18-V266 HydrophobicContact CD-CB 4.32Å; Y19-V266 HydrophobicContact CD2-CG1 4.33Å; N22-V266 WeakPolarHBondContact ND2-CA 3.18Å; N263-V266 WeakPolarHBondContact O-CG2 3.49Å; N263-V266 PolarHBondContact O-N 3.07Å; R264-V266 VanDerWaalsContact C-N 3.27Å; R264-V266 PolarHBondContact O-N 3.47Å
267E88.5Confident76.2Confident115 Ų11592.1 Ų92.154%0.53747%0.467SS..SBendtrans-58.5146.5169.8-79.5169.8-164.800110.6N22 N263N22-E267 PolarHBondContact ND2-O 3.21Å; N263-E267 PolarHBondContact O-N 2.85Å; N263-E267 VanDerWaalsContact O-N 3.12Å
268T71.1Confident75Confident75 Ų7594.6 Ų94.646%0.4647%0.466SS..PPolyproline II helixtrans-67.4134.7-179.724.70000110.7
269L60.6Low73.7Confident37 Ų3797.7 Ų97.719%0.19448%0.482CS..PPolyproline II helixtrans-59.5135.4175.9-83.8168.9000110.5L25 H26 S271 Q272L25-L269 HydrophobicContact CB-CD1 4.01Å; L25-L269 HydrophobicContact CD1-CD1 4.39Å; H26-L269 WeakPolarHBondContact CE1-CD2 3.37Å; H26-L269 VanDerWaalsContact NE2-CD2 3.35Å; H26-L269 WeakPolarHBondContact NE2-CD2 3.18Å; L269-S271 PolarHBondContact O-N 2.88Å; L269-Q272 PolarHBondContact O-N 2.66Å; L269-Q272 VanDerWaalsContact O-N 3.1Å
270P53.3Low72.3Confident109 Ų109102.3 Ų102.371%0.70850%0.504SS*.G310 helixtrans-54.6-21.7-178.3-26.832.9000115Q272P270-Q272 VanDerWaalsContact C-N 3.3Å; P270-Q272 PolarHBondContact O-N 3.25Å
271S48.8Very low70.8Confident99 Ų99100 Ų10069%0.69250%0.496SS*.G310 helixtrans-76.7-6.1-179.354.90000115.2L269L269-S271 PolarHBondContact O-N 2.88Å
272Q49Very low69Low82 Ų82103.1 Ų103.138%0.38351%0.507SS..G310 helixtrans-101.5-1.6177.2-73.3-175.2-16.400114.2L269 P270 K274L269-Q272 PolarHBondContact O-N 2.66Å; L269-Q272 VanDerWaalsContact O-N 3.1Å; P270-Q272 VanDerWaalsContact C-N 3.3Å; P270-Q272 PolarHBondContact O-N 3.25Å; Q272-K274 VanDerWaalsContact C-N 3.28Å; Q272-K274 PolarHBondContact O-N 2.73Å
273Q43Very low67.1Low155 Ų155109.9 Ų109.972%0.72454%0.541SS*.SBendtrans-83.93.4175.4-72.6-175.8-6.200114.1
274K40.2Very low64.7Low195 Ų195114.3 Ų114.385%0.84856%0.56SS**  trans-135.380176.8-71.4-172.9179.1-178.80111.1Q272Q272-K274 VanDerWaalsContact C-N 3.28Å; Q272-K274 PolarHBondContact O-N 2.73Å
275K37.4Very low62Low283 Ų283110.6 Ų110.6100%1.2356%0.558SS**  trans-145.20144.8-87.9-167.8178.8176.60108.4

Retrieved 275 of 275 residues in 154.6 ms (Link to these results)

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