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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 (A0A2I3LRF5), UniProt , Accession A0A096N652, Species PAPAN (Papio anubis, Olive baboon), Gene GNPDA1, Length 289 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
1M98.1Very high98.6Very high97 Ų9755.6 Ų55.648%0.47828%0.276SS..  0161.9069.6179.6-179.900111.1I216 T235 F237 F255M1-I216 HydrophobicContact CE-CB 4.02Å; M1-I216 HydrophobicContact CE-CD1 3.97Å; M1-I216 HydrophobicContact CE-CG1 4.39Å; M1-I216 HydrophobicContact SD-CB 4.01Å; M1-I216 HydrophobicContact SD-CD1 4.5Å; M1-I216 HydrophobicContact SD-CG2 3.95Å; M1-T235 CarbonylContact C-O 3.58Å; M1-T235 VanDerWaalsContact CA-O 3.26Å; M1-T235 WeakPolarHBondContact CA-O 3.21Å; M1-F237 HydrophobicContact CB-CD2 4.06Å; M1-F237 HydrophobicContact CB-CE2 4.02Å; M1-F237 HydrophobicContact CG-CD2 4.49Å; M1-F237 HydrophobicContact SD-CD2 3.87Å; M1-F237 HydrophobicContact SD-CE2 3.9Å; M1-F255 HydrophobicContact CE-CE2 3.61Å; M1-F255 HydrophobicContact CE-CZ 3.63Å; M1-F255 HydrophobicContact CG-CZ 4.23Å
2K98.9Very high98.6Very high63 Ų6351 Ų5127%0.27425%0.253SS..EExtended strand (participates in β ladder)trans-110.8136.5158.3-62.2175.9-176.2168.10108I4 T235 V236 F237 L265K2-I4 HydrophobicContact CB-CD1 4.44Å; K2-T235 PolarHBondContact N-O 3.46Å; K2-V236 HydrophobicContact CB-CG1 4.39Å; K2-V236 HydrophobicContact CB-CG2 4.39Å; K2-V236 HydrophobicContact CD-CG2 4.32Å; K2-V236 CarbonylContact O-C 3.58Å; K2-V236 WeakPolarHBondContact O-CA 3.36Å; K2-F237 PolarHBondContact O-N 2.81Å; K2-L265 HydrophobicContact CD-CD1 4.14Å
3L98.9Very high98.7Very high0 Ų047.3 Ų47.30%024%0.235CC..EExtended strand (participates in β ladder)trans-115.8123.4171.4177.467.6000108.2I5 I216 F237 L247 F255L3-I5 HydrophobicContact CD2-CD1 4.05Å; L3-I5 HydrophobicContact CD2-CG1 4.25Å; L3-I5 HydrophobicContact CG-CD1 4.3Å; L3-I5 HydrophobicContact CG-CG1 3.98Å; L3-I216 HydrophobicContact CD2-CD1 4.03Å; L3-F237 CarbonylContact C-O 3.5Å; L3-F237 WeakPolarHBondContact CA-O 3.44Å; L3-F237 HydrophobicContact CD1-CB 3.54Å; L3-L247 HydrophobicContact CD2-CD1 4.13Å; L3-F255 HydrophobicContact CB-CB 4.1Å; L3-F255 HydrophobicContact CB-CD1 3.7Å; L3-F255 HydrophobicContact CB-CD2 3.79Å; L3-F255 HydrophobicContact CB-CE1 4Å; L3-F255 HydrophobicContact CB-CE2 4.08Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.18Å; L3-F255 HydrophobicContact CD2-CB 4.3Å; L3-F255 HydrophobicContact CD2-CD2 3.75Å; L3-F255 HydrophobicContact CD2-CE2 4.34Å; L3-F255 HydrophobicContact CD2-CG 4.14Å; L3-F255 HydrophobicContact CG-CB 4.4Å; L3-F255 HydrophobicContact CG-CD2 4.34Å; L3-F255 HydrophobicContact CG-CG 4.29Å
4I98.9Very high98.7Very high0 Ų048.4 Ų48.40%024%0.239CC..EExtended strand (participates in β ladder)trans-109.1121.1-179-43.7-58.6000106.7K2 L6 W15 V236 F237 V238 C239 M259 H262K2-I4 HydrophobicContact CB-CD1 4.44Å; I4-L6 HydrophobicContact CB-CD2 4.25Å; I4-L6 HydrophobicContact CG2-CD1 4.32Å; I4-L6 HydrophobicContact CG2-CD2 3.54Å; I4-W15 HydrophobicContact CB-CZ2 4.5Å; I4-W15 HydrophobicContact CD1-CH2 3.99Å; I4-W15 HydrophobicContact CD1-CZ2 3.77Å; I4-W15 HydrophobicContact CG1-CE3 4.41Å; I4-W15 HydrophobicContact CG1-CH2 3.68Å; I4-W15 HydrophobicContact CG1-CZ2 3.75Å; I4-W15 HydrophobicContact CG1-CZ3 4.02Å; I4-W15 HydrophobicContact CG2-CD2 3.82Å; I4-W15 HydrophobicContact CG2-CE3 4.39Å; I4-W15 HydrophobicContact CG2-CG 4.1Å; I4-W15 HydrophobicContact CG2-CZ2 4.01Å; I4-V236 HydrophobicContact CD1-CG1 4.39Å; I4-V236 HydrophobicContact CG1-CG1 3.79Å; I4-F237 PolarHBondContact N-O 2.77Å; I4-V238 HydrophobicContact CB-CG1 4.47Å; I4-V238 HydrophobicContact CB-CG2 4.4Å; I4-V238 HydrophobicContact CG1-CG2 4.23Å; I4-C239 PolarHBondContact O-N 3.38Å; I4-C239 PolarHBondContact O-SG 3.16Å; I4-C239 VanDerWaalsContact O-SG 3.42Å; I4-M259 HydrophobicContact CB-SD 4.44Å; I4-M259 HydrophobicContact CG2-CE 3.67Å; I4-M259 HydrophobicContact CG2-SD 3.8Å; I4-H262 HydrophobicContact CD1-CB 3.5Å
5I98.8Very high98.7Very high8 Ų845.9 Ų45.94%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-117.6118.9-175.1-51.7174.9000107.9L3 E241 T244 V252 F255 K256 M259L3-I5 HydrophobicContact CD2-CD1 4.05Å; L3-I5 HydrophobicContact CD2-CG1 4.25Å; L3-I5 HydrophobicContact CG-CD1 4.3Å; L3-I5 HydrophobicContact CG-CG1 3.98Å; I5-E241 WeakPolarHBondContact CG2-OE1 3.18Å; I5-T244 HydrophobicContact CD1-CG2 4.23Å; I5-T244 HydrophobicContact CG1-CG2 4.29Å; I5-T244 HydrophobicContact CG2-CG2 3.98Å; I5-V252 HydrophobicContact CD1-CB 4.41Å; I5-V252 HydrophobicContact CD1-CG1 3.97Å; I5-F255 HydrophobicContact CD1-CB 4.21Å; I5-K256 HydrophobicContact CD1-CG 4.21Å; I5-M259 WeakPolarHBondContact O-CE 3.46Å
6L98.8Very high98.7Very high17 Ų1743.1 Ų43.19%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-118159.5-178.5-61.7-49.2000109.6I4 Q11 A12 W15 V238 C239 D240 E241 M259I4-L6 HydrophobicContact CB-CD2 4.25Å; I4-L6 HydrophobicContact CG2-CD1 4.32Å; I4-L6 HydrophobicContact CG2-CD2 3.54Å; L6-Q11 HydrophobicContact CB-CB 3.81Å; L6-Q11 HydrophobicContact CG-CB 4.19Å; L6-A12 HydrophobicContact CB-CB 4.36Å; L6-A12 HydrophobicContact CD2-CB 4.26Å; L6-A12 HydrophobicContact CG-CB 4.49Å; L6-W15 HydrophobicContact CD2-CB 4.3Å; L6-W15 HydrophobicContact CD2-CG 4.44Å; L6-W15 HydrophobicContact CG-CB 4.39Å; L6-V238 HydrophobicContact CD2-CG1 3.86Å; L6-C239 WeakPolarHBondContact CD2-O 3.37Å; L6-C239 PolarHBondContact N-O 3.27Å; L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 WeakPolarHBondContact O-CA 3.38Å; L6-E241 PolarHBondContact O-N 2.74Å; L6-M259 HydrophobicContact CD1-CE 3.79Å
7D98.3Very high98.7Very high86 Ų8640.5 Ų40.546%0.4620%0.2SC..SBendtrans-69.9-40.9-173.6-44.1-58.6000112.3Q11D7-Q11 PolarHBondContact OD2-NE2 2.97Å
8H98.1Very high98.7Very high121 Ų12140.9 Ų40.956%0.5620%0.2SC*.SBendtrans-136.5160-172.6-53.8-49.6000113.6S10 Q11 A12H8-S10 PolarHBondContact O-N 3.24Å; H8-S10 VanDerWaalsContact O-N 3.11Å; H8-Q11 PolarHBondContact CD2-OE1 3.36Å; H8-Q11 VanDerWaalsContact N-OE1 3.09Å; H8-Q11 PolarHBondContact O-N 2.97Å; H8-A12 PolarHBondContact O-N 2.92Å
9Y98.6Very high98.7Very high86 Ų8638.9 Ų38.934%0.33719%0.19SC..Hα-helixtrans-45.6-42.2173.8166.4-99.7000113.7A12 S13 S43 T44 G47 T204Y9-A12 PolarHBondContact O-N 3.44Å; Y9-S13 WeakPolarHBondContact CE2-OG 3.3Å; Y9-S13 VanDerWaalsContact O-CB 3.24Å; Y9-S13 WeakPolarHBondContact O-CB 3.13Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 2.71Å; Y9-S43 PolarHBondContact OH-O 3.15Å; Y9-T44 WeakPolarHBondContact CE2-O 3.31Å; Y9-G47 WeakPolarHBondContact OH-CA 3.25Å; Y9-G47 PolarHBondContact OH-N 2.81Å; Y9-T204 HydrophobicContact CD2-CG2 3.83Å
10S98.6Very high98.8Very high73 Ų7337.1 Ų37.151%0.5118%0.181SC..Hα-helixtrans-64.1-41.3-179.853.40000112.3H8 E14H8-S10 PolarHBondContact O-N 3.24Å; H8-S10 VanDerWaalsContact O-N 3.11Å; S10-E14 WeakPolarHBondContact O-CB 3.4Å; S10-E14 PolarHBondContact O-N 3.37Å
11Q98.8Very high98.8Very high61 Ų6135.9 Ų35.929%0.28518%0.175SC..Hα-helixtrans-71.8-40.8177.5-70.8159.7-76.500111.5L6 D7 H8 S13 E14 W15L6-Q11 HydrophobicContact CB-CB 3.81Å; L6-Q11 HydrophobicContact CG-CB 4.19Å; D7-Q11 PolarHBondContact OD2-NE2 2.97Å; H8-Q11 PolarHBondContact CD2-OE1 3.36Å; H8-Q11 VanDerWaalsContact N-OE1 3.09Å; H8-Q11 PolarHBondContact O-N 2.97Å; Q11-S13 VanDerWaalsContact C-N 3.34Å; Q11-E14 PolarHBondContact O-N 2.93Å; Q11-W15 WeakPolarHBondContact O-CB 3.12Å; Q11-W15 PolarHBondContact O-N 3.05Å
12A98.8Very high98.8Very high0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-61.5-44.1174.400000111.3L6 H8 Y9 W15 A16 L202 T204 V238L6-A12 HydrophobicContact CB-CB 4.36Å; L6-A12 HydrophobicContact CD2-CB 4.26Å; L6-A12 HydrophobicContact CG-CB 4.49Å; H8-A12 PolarHBondContact O-N 2.92Å; Y9-A12 PolarHBondContact O-N 3.44Å; A12-W15 PolarHBondContact O-N 3.31Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.98Å; A12-L202 HydrophobicContact CB-CD1 4.13Å; A12-T204 HydrophobicContact CB-CG2 4Å; A12-V238 HydrophobicContact CB-CG1 4.26Å
13S98.9Very high98.8Very high3 Ų329.5 Ų29.52%0.02114%0.144CC..Hα-helixtrans-60-45.9174.1-67.20000112.4Y9 Q11 A17Y9-S13 WeakPolarHBondContact CE2-OG 3.3Å; Y9-S13 VanDerWaalsContact O-CB 3.24Å; Y9-S13 WeakPolarHBondContact O-CB 3.13Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 2.71Å; Q11-S13 VanDerWaalsContact C-N 3.34Å; S13-A17 WeakPolarHBondContact O-CB 3.22Å; S13-A17 PolarHBondContact O-N 3.48Å
14E98.9Very high98.8Very high62 Ų6229.7 Ų29.729%0.2915%0.145SC..Hα-helixtrans-66.9-43.3178.8-172.9-175.5-16500111.6S10 Q11 A16 A17 K18 K51S10-E14 WeakPolarHBondContact O-CB 3.4Å; S10-E14 PolarHBondContact O-N 3.37Å; Q11-E14 PolarHBondContact O-N 2.93Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.07Å; E14-A17 PolarHBondContact O-N 3.09Å; E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 HydrophobicContact CG-CG 4.34Å; E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 WeakPolarHBondContact O-CG 3Å; E14-K18 PolarHBondContact O-N 3.49Å; E14-K18 WeakPolarHBondContact OE1-CE 3.41Å; E14-K18 IonicContact OE1-NZ 2.81Å; E14-K18 PolarHBondContact OE1-NZ 3.46Å; E14-K18 IonicContact OE2-NZ 3.13Å; E14-K51 HydrophobicContact CB-CG 4.49Å; E14-K51 HydrophobicContact CG-CD 4.3Å
15W98.9Very high98.8Very high11 Ų1131 Ų314%0.04215%0.152CC..Hα-helixtrans-59.4-46.8178-167.2103.7000110.8I4 L6 Q11 A12 A17 K18 Y19 M200 V236 V238 N263 L265 V266I4-W15 HydrophobicContact CB-CZ2 4.5Å; I4-W15 HydrophobicContact CD1-CH2 3.99Å; I4-W15 HydrophobicContact CD1-CZ2 3.77Å; I4-W15 HydrophobicContact CG1-CE3 4.41Å; I4-W15 HydrophobicContact CG1-CH2 3.68Å; I4-W15 HydrophobicContact CG1-CZ2 3.75Å; I4-W15 HydrophobicContact CG1-CZ3 4.02Å; I4-W15 HydrophobicContact CG2-CD2 3.82Å; I4-W15 HydrophobicContact CG2-CE3 4.39Å; I4-W15 HydrophobicContact CG2-CG 4.1Å; I4-W15 HydrophobicContact CG2-CZ2 4.01Å; L6-W15 HydrophobicContact CD2-CB 4.3Å; L6-W15 HydrophobicContact CD2-CG 4.44Å; L6-W15 HydrophobicContact CG-CB 4.39Å; Q11-W15 WeakPolarHBondContact O-CB 3.12Å; Q11-W15 PolarHBondContact O-N 3.05Å; A12-W15 PolarHBondContact O-N 3.31Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 3.28Å; W15-K18 PolarHBondContact O-N 2.85Å; W15-Y19 HydrophobicContact CH2-CD2 4.02Å; W15-Y19 HydrophobicContact CH2-CG 4.09Å; W15-Y19 HydrophobicContact CZ3-CD1 4.39Å; W15-Y19 HydrophobicContact CZ3-CD2 4.3Å; W15-Y19 AromaticContact CZ3-CG 3.9Å; W15-Y19 HydrophobicContact CZ3-CG 3.9Å; W15-Y19 WeakPolarHBondContact O-CB 3.46Å; W15-Y19 PolarHBondContact O-N 3.08Å; W15-M200 HydrophobicContact CZ3-SD 4.31Å; W15-V236 HydrophobicContact CH2-CG1 4.08Å; W15-V236 HydrophobicContact CZ3-CG1 4.1Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.47Å; W15-V238 HydrophobicContact CE3-CB 4.41Å; W15-V238 HydrophobicContact CE3-CG1 3.96Å; W15-V238 HydrophobicContact CE3-CG2 3.49Å; W15-V238 VanDerWaalsContact CE3-CG2 3.49Å; W15-V238 HydrophobicContact CZ3-CG2 3.49Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.49Å; W15-N263 PolarHBondContact NE1-OD1 2.69Å; W15-L265 HydrophobicContact CH2-CD1 4.13Å; W15-L265 HydrophobicContact CZ2-CB 4.27Å; W15-L265 HydrophobicContact CZ2-CD1 4.19Å; W15-V266 HydrophobicContact CD2-CG1 3.99Å; W15-V266 HydrophobicContact CE3-CG1 4.49Å; W15-V266 HydrophobicContact CG-CG1 4.33Å; W15-V266 HydrophobicContact CG-CG2 4.46Å; W15-V266 HydrophobicContact CZ2-CG1 4.04Å
16A98.9Very high98.8Very high1 Ų135.6 Ų35.61%0.00817%0.173CC..Hα-helixtrans-59.9-43.9175.800000111.9A12 E14 Y19 I20 M200 L202A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.98Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.07Å; A16-Y19 PolarHBondContact O-N 3.07Å; A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 3.29Å; A16-M200 HydrophobicContact CB-CE 3.86Å; A16-M200 HydrophobicContact CB-SD 4.18Å; A16-L202 HydrophobicContact CB-CD1 4.3Å
17A98.9Very high98.8Very high0 Ų036.6 Ų36.60%018%0.176CC..Hα-helixtrans-64.8-42177.600000112.5S13 E14 W15 Y19 I20 R21 K51 L52 Y55S13-A17 WeakPolarHBondContact O-CB 3.22Å; S13-A17 PolarHBondContact O-N 3.48Å; E14-A17 PolarHBondContact O-N 3.09Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 3.28Å; A17-Y19 VanDerWaalsContact C-N 3.31Å; A17-Y19 PolarHBondContact O-N 2.96Å; A17-I20 PolarHBondContact O-N 2.86Å; A17-R21 VanDerWaalsContact O-CB 3.31Å; A17-R21 WeakPolarHBondContact O-CB 3.19Å; A17-R21 PolarHBondContact O-N 2.81Å; A17-K51 HydrophobicContact CB-CB 3.46Å; A17-K51 VanDerWaalsContact CB-CB 3.46Å; A17-K51 HydrophobicContact CB-CG 4.48Å; A17-L52 HydrophobicContact CB-CD2 4.1Å; A17-L52 HydrophobicContact CB-CG 4.1Å; A17-Y55 HydrophobicContact CB-CE2 3.9Å
18K98.9Very high98.8Very high47 Ų4738.4 Ų38.420%0.20419%0.186CC..Hα-helixtrans-61.2-41.3174.1-73.5179177.7160.30111.3E14 W15 R21 N22 Y55 V266 L269E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 HydrophobicContact CG-CG 4.34Å; E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 WeakPolarHBondContact O-CG 3Å; E14-K18 PolarHBondContact O-N 3.49Å; E14-K18 WeakPolarHBondContact OE1-CE 3.41Å; E14-K18 IonicContact OE1-NZ 2.81Å; E14-K18 PolarHBondContact OE1-NZ 3.46Å; E14-K18 IonicContact OE2-NZ 3.13Å; W15-K18 PolarHBondContact O-N 2.85Å; K18-R21 PolarHBondContact O-N 3.4Å; K18-N22 WeakPolarHBondContact O-CB 3.4Å; K18-N22 PolarHBondContact O-N 2.92Å; K18-Y55 HydrophobicContact CG-CE2 4.43Å; K18-Y55 VanDerWaalsContact CG-OH 3.29Å; K18-Y55 WeakPolarHBondContact CG-OH 3.45Å; K18-V266 HydrophobicContact CB-CB 3.75Å; K18-V266 HydrophobicContact CB-CG1 3.72Å; K18-V266 HydrophobicContact CD-CB 4.3Å; K18-L269 HydrophobicContact CB-CD1 3.63Å; K18-L269 HydrophobicContact CD-CD1 4.25Å; K18-L269 HydrophobicContact CD-CD2 4.45Å; K18-L269 HydrophobicContact CG-CD1 3.61Å; K18-L269 HydrophobicContact CG-CD2 4.13Å
19Y98.9Very high98.8Very high3 Ų333.8 Ų33.81%0.01217%0.167CC..Hα-helixtrans-63.8-49.2178.3-168.9-115.2000111.3W15 A16 A17 R21 N22 R23 E198 M200 L265 V266W15-Y19 HydrophobicContact CH2-CD2 4.02Å; W15-Y19 HydrophobicContact CH2-CG 4.09Å; W15-Y19 HydrophobicContact CZ3-CD1 4.39Å; W15-Y19 HydrophobicContact CZ3-CD2 4.3Å; W15-Y19 AromaticContact CZ3-CG 3.9Å; W15-Y19 HydrophobicContact CZ3-CG 3.9Å; W15-Y19 WeakPolarHBondContact O-CB 3.46Å; W15-Y19 PolarHBondContact O-N 3.08Å; A16-Y19 PolarHBondContact O-N 3.07Å; A17-Y19 VanDerWaalsContact C-N 3.31Å; A17-Y19 PolarHBondContact O-N 2.96Å; Y19-R21 VanDerWaalsContact C-N 3.34Å; Y19-R21 PolarHBondContact O-N 3.46Å; Y19-N22 PolarHBondContact O-N 3.23Å; Y19-R23 HydrophobicContact CD1-CG 4.14Å; Y19-R23 HydrophobicContact CD2-CG 4.36Å; Y19-R23 HydrophobicContact CE1-CG 3.87Å; Y19-R23 HydrophobicContact CE2-CG 4.07Å; Y19-R23 HydrophobicContact CG-CG 4.39Å; Y19-R23 WeakPolarHBondContact O-CB 3.35Å; Y19-R23 WeakPolarHBondContact O-CG 3.37Å; Y19-R23 PolarHBondContact O-N 2.91Å; Y19-E198 PolarHBondContact OH-OE1 3.43Å; Y19-E198 PolarHBondContact OH-OE2 3.15Å; Y19-M200 HydrophobicContact CD1-SD 3.74Å; Y19-M200 HydrophobicContact CG-SD 4.45Å; Y19-L265 HydrophobicContact CD2-CB 3.85Å; Y19-L265 HydrophobicContact CE2-CB 3.78Å; Y19-L265 HydrophobicContact CE2-CD1 4.08Å; Y19-L265 HydrophobicContact CE2-CD2 4.28Å; Y19-L265 HydrophobicContact CE2-CG 4.26Å; Y19-V266 HydrophobicContact CD2-CG1 4.4Å
20I98.9Very high98.8Very high2 Ų230.5 Ų30.51%0.0116%0.159CC..Hα-helixtrans-58-47.3175.9-67.6162.6000110.7A16 A17 N22 R23 I24 L37 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 3.29Å; A17-I20 PolarHBondContact O-N 2.86Å; I20-N22 PolarHBondContact O-N 3.19Å; I20-R23 PolarHBondContact O-N 2.65Å; I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.41Å; I20-I24 WeakPolarHBondContact O-CG1 3.46Å; I20-I24 PolarHBondContact O-N 2.91Å; I20-L37 HydrophobicContact CG2-CD2 4.34Å; I20-L52 HydrophobicContact CB-CD2 4.1Å; I20-L52 HydrophobicContact CD1-CD1 4.11Å; I20-L52 HydrophobicContact CG2-CD1 4.21Å; I20-L52 HydrophobicContact CG2-CD2 3.9Å; I20-L133 HydrophobicContact CG1-CD2 3.92Å; I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.28Å; I20-M200 HydrophobicContact CD1-CE 3.7Å; I20-M200 HydrophobicContact CG1-CE 3.7Å
21R98.9Very high98.7Very high12 Ų1230.6 Ų30.65%0.04516%0.158CC..Hα-helixtrans-54-53.7176.1169.6173.8163.8167.2-2111.6A17 K18 Y19 R23 I24 I25 Y55 D60 L61 L269 Y270A17-R21 VanDerWaalsContact O-CB 3.31Å; A17-R21 WeakPolarHBondContact O-CB 3.19Å; A17-R21 PolarHBondContact O-N 2.81Å; K18-R21 PolarHBondContact O-N 3.4Å; Y19-R21 VanDerWaalsContact C-N 3.34Å; Y19-R21 PolarHBondContact O-N 3.46Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.43Å; R21-I24 PolarHBondContact O-N 2.98Å; R21-I25 HydrophobicContact CG-CD1 3.67Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.28Å; R21-I25 PolarHBondContact O-N 3.14Å; R21-Y55 HydrophobicContact CB-CD2 4.07Å; R21-Y55 HydrophobicContact CB-CE2 4.4Å; R21-Y55 HydrophobicContact CG-CD2 4.34Å; R21-D60 VanDerWaalsContact CZ-CB 3.41Å; R21-D60 IonicContact CZ-OD2 3.73Å; R21-D60 IonicContact NH1-OD2 3.05Å; R21-D60 PolarHBondContact NH1-OD2 2.92Å; R21-D60 IonicContact NH2-OD2 3.89Å; R21-D60 PolarHBondContact NH2-OD2 3.33Å; R21-L61 HydrophobicContact CB-CD2 4.09Å; R21-L61 HydrophobicContact CG-CD1 4.32Å; R21-L61 HydrophobicContact CG-CD2 4.38Å; R21-L269 HydrophobicContact CG-CD1 4.41Å; R21-Y270 PolarHBondContact NE-O 2.88Å; R21-Y270 PolarHBondContact NH2-O 3.08Å
22N98.8Very high98.7Very high1 Ų136.6 Ų36.61%0.00519%0.186CC..Hα-helixtrans-61.2-43.9179.7-83.41000111.6K18 Y19 I20 I24 I25 Q26 L265 P268 L269 Y270K18-N22 WeakPolarHBondContact O-CB 3.4Å; K18-N22 PolarHBondContact O-N 2.92Å; Y19-N22 PolarHBondContact O-N 3.23Å; I20-N22 PolarHBondContact O-N 3.19Å; N22-I24 PolarHBondContact O-N 2.91Å; N22-I25 PolarHBondContact O-N 2.93Å; N22-Q26 VanDerWaalsContact O-CB 3.22Å; N22-Q26 WeakPolarHBondContact O-CB 3.24Å; N22-Q26 WeakPolarHBondContact O-CG 3.41Å; N22-Q26 PolarHBondContact O-N 3.33Å; N22-Q26 PolarHBondContact O-OE1 3.03Å; N22-L265 PolarHBondContact ND2-O 3.36Å; N22-P268 PolarHBondContact ND2-O 3.04Å; N22-P268 VanDerWaalsContact ND2-O 3.08Å; N22-L269 WeakPolarHBondContact OD1-CD1 3.5Å; N22-Y270 HydrophobicContact CB-CD2 4.29Å; N22-Y270 WeakPolarHBondContact OD1-CD2 3.43Å; N22-Y270 PolarHBondContact OD1-N 2.9Å
23R98.9Very high98.6Very high26 Ų2641.6 Ų41.610%0.09821%0.208CC..Hα-helixtrans-61.9-43.9179.5-68.5-67.6-74.8114.62.7111.9Y19 I20 R21 F27 F35 E132 E198Y19-R23 HydrophobicContact CD1-CG 4.14Å; Y19-R23 HydrophobicContact CD2-CG 4.36Å; Y19-R23 HydrophobicContact CE1-CG 3.87Å; Y19-R23 HydrophobicContact CE2-CG 4.07Å; Y19-R23 HydrophobicContact CG-CG 4.39Å; Y19-R23 WeakPolarHBondContact O-CB 3.35Å; Y19-R23 WeakPolarHBondContact O-CG 3.37Å; Y19-R23 PolarHBondContact O-N 2.91Å; I20-R23 PolarHBondContact O-N 2.65Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.43Å; R23-F27 WeakPolarHBondContact O-CB 3.17Å; R23-F27 PolarHBondContact O-N 3.48Å; R23-F35 HydrophobicContact CB-CE2 4.16Å; R23-F35 HydrophobicContact CB-CZ 4.14Å; R23-E132 IonicContact CZ-OE1 3.36Å; R23-E132 IonicContact NH1-OE1 2.87Å; R23-E132 IonicContact NH2-OE1 2.97Å; R23-E132 PolarHBondContact NH2-OE1 3.35Å; R23-E198 IonicContact CZ-OE2 2.81Å; R23-E198 IonicContact NE-OE2 2.9Å; R23-E198 PolarHBondContact NE-OE2 3.19Å; R23-E198 IonicContact NH2-OE2 3.04Å; R23-E198 PolarHBondContact NH2-OE2 2.96Å; R23-E198 VanDerWaalsContact NH2-OE2 3.13Å
24I98.9Very high98.6Very high4 Ų444.5 Ų44.52%0.02122%0.219CC..Hα-helixtrans-62.6-51.6176-68.3168.4000110.3I20 R21 N22 Q26 F27 N28 P29 F35 L61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.41Å; I20-I24 WeakPolarHBondContact O-CG1 3.46Å; I20-I24 PolarHBondContact O-N 2.91Å; R21-I24 PolarHBondContact O-N 2.98Å; N22-I24 PolarHBondContact O-N 2.91Å; I24-Q26 PolarHBondContact O-N 2.94Å; I24-F27 PolarHBondContact O-N 3.21Å; I24-N28 PolarHBondContact O-N 2.94Å; I24-N28 VanDerWaalsContact O-N 3.07Å; I24-P29 HydrophobicContact CG2-CG 4.22Å; I24-P29 WeakPolarHBondContact O-CD 3.2Å; I24-F35 HydrophobicContact CG1-CD1 3.78Å; I24-F35 HydrophobicContact CG1-CD2 4.23Å; I24-F35 HydrophobicContact CG1-CE1 3.83Å; I24-F35 HydrophobicContact CG1-CE2 4.26Å; I24-F35 HydrophobicContact CG1-CG 4Å; I24-F35 HydrophobicContact CG1-CZ 4.07Å; I24-L61 HydrophobicContact CB-CD1 4.01Å; I24-L61 HydrophobicContact CD1-CD1 4.3Å; I24-L61 HydrophobicContact CG2-CD1 3.83Å; I24-F63 HydrophobicContact CD1-CD1 4.32Å; I24-F63 HydrophobicContact CD1-CE1 3.82Å; I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG2-CG2 4.25Å
25I98.7Very high98.6Very high28 Ų2841.6 Ų41.614%0.14421%0.205CC..Hα-helixtrans-64.1-45.1-175.7-65.5168.6000111.4R21 N22 F27 N28 D60 L61 Y270 I272R21-I25 HydrophobicContact CG-CD1 3.67Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.28Å; R21-I25 PolarHBondContact O-N 3.14Å; N22-I25 PolarHBondContact O-N 2.93Å; I25-F27 VanDerWaalsContact C-N 3.33Å; I25-F27 PolarHBondContact O-N 3.47Å; I25-N28 WeakPolarHBondContact O-CA 3.44Å; I25-N28 PolarHBondContact O-N 3.14Å; I25-N28 VanDerWaalsContact O-N 3.09Å; I25-D60 WeakPolarHBondContact CD1-O 3.32Å; I25-L61 HydrophobicContact CD1-CD1 4.3Å; I25-L61 HydrophobicContact CG1-CD1 4Å; I25-Y270 WeakPolarHBondContact CD1-O 3.41Å; I25-I272 HydrophobicContact CD1-CG2 4.3Å; I25-I272 HydrophobicContact CG1-CG2 3.92Å
26Q98.4Very high98.6Very high103 Ų10341.2 Ų41.248%0.48120%0.204SC..Hα-helixtrans-70.3-30.1179.6-67.6176-48.900112.5N22 I24 N28 Y270N22-Q26 VanDerWaalsContact O-CB 3.22Å; N22-Q26 WeakPolarHBondContact O-CB 3.24Å; N22-Q26 WeakPolarHBondContact O-CG 3.41Å; N22-Q26 PolarHBondContact O-N 3.33Å; N22-Q26 PolarHBondContact O-OE1 3.03Å; I24-Q26 PolarHBondContact O-N 2.94Å; Q26-N28 PolarHBondContact O-N 3.32Å; Q26-Y270 HydrophobicContact CG-CD2 4.01Å; Q26-Y270 HydrophobicContact CG-CE2 4.11Å; Q26-Y270 HydrophobicContact CG-CG 4.4Å
27F98.8Very high98.6Very high39 Ų3941.2 Ų41.217%0.17120%0.204CC..Hα-helixtrans-67-28.6171.1-176.6-92000111.5R23 I24 I25 P29 K33 Y34 F35 E132R23-F27 WeakPolarHBondContact O-CB 3.17Å; R23-F27 PolarHBondContact O-N 3.48Å; I24-F27 PolarHBondContact O-N 3.21Å; I25-F27 VanDerWaalsContact C-N 3.33Å; I25-F27 PolarHBondContact O-N 3.47Å; F27-P29 HydrophobicContact CD1-CB 3.92Å; F27-P29 HydrophobicContact CE1-CB 4.15Å; F27-K33 HydrophobicContact CE1-CD 4.13Å; F27-K33 HydrophobicContact CE1-CG 3.94Å; F27-K33 HydrophobicContact CZ-CD 4.08Å; F27-K33 HydrophobicContact CZ-CG 3.95Å; F27-K33 WeakPolarHBondContact O-CE 3.27Å; F27-K33 PolarHBondContact O-NZ 2.99Å; F27-Y34 WeakPolarHBondContact CE1-O 3.26Å; F27-F35 HydrophobicContact CB-CD2 3.65Å; F27-F35 HydrophobicContact CB-CE2 4.08Å; F27-F35 HydrophobicContact CD1-CB 3.96Å; F27-F35 AromaticContact CD1-CD2 3.78Å; F27-F35 HydrophobicContact CD1-CD2 3.78Å; F27-F35 HydrophobicContact CD1-CG 4.38Å; F27-F35 HydrophobicContact CD2-CD2 4.1Å; F27-F35 HydrophobicContact CE1-CB 4.11Å; F27-F35 HydrophobicContact CE1-CD2 4.38Å; F27-F35 AromaticContact CG-CD2 3.6Å; F27-F35 HydrophobicContact CG-CD2 3.6Å; F27-F35 HydrophobicContact CG-CE2 4.3Å; F27-E132 HydrophobicContact CD2-CG 4.2Å; F27-E132 HydrophobicContact CE2-CG 4.17Å
28N98.4Very high98.6Very high124 Ų12441.2 Ų41.266%0.66320%0.204SC*.  trans52.466.3179-172.240000111.6I24 I25 Q26I24-N28 PolarHBondContact O-N 2.94Å; I24-N28 VanDerWaalsContact O-N 3.07Å; I25-N28 WeakPolarHBondContact O-CA 3.44Å; I25-N28 PolarHBondContact O-N 3.14Å; I25-N28 VanDerWaalsContact O-N 3.09Å; Q26-N28 PolarHBondContact O-N 3.32Å
29P98.6Very high98.6Very high24 Ų2439 Ų3916%0.15619%0.194CC..  trans-70.2152.7-177.431.6-36.5000111.7I24 F27 K33 F35 Y65I24-P29 HydrophobicContact CG2-CG 4.22Å; I24-P29 WeakPolarHBondContact O-CD 3.2Å; F27-P29 HydrophobicContact CD1-CB 3.92Å; F27-P29 HydrophobicContact CE1-CB 4.15Å; P29-K33 CarbonylContact C-O 3.52Å; P29-K33 WeakPolarHBondContact CA-O 3.39Å; P29-K33 VanDerWaalsContact CB-O 3.3Å; P29-K33 WeakPolarHBondContact CB-O 3.2Å; P29-F35 HydrophobicContact CB-CB 4.01Å; P29-F35 HydrophobicContact CG-CB 4.19Å; P29-Y65 WeakPolarHBondContact CB-O 3.4Å
30G98.4Very high98.6Very high17 Ų1739.1 Ų39.118%0.17520%0.195CC..BIsolated β-bridgetrans-151.9-175.4-178.300000112.2E32 K33 Y65G30-E32 PolarHBondContact O-N 3.25Å; G30-E32 VanDerWaalsContact O-N 3.11Å; G30-K33 PolarHBondContact N-O 3.46Å; G30-K33 CarbonylContact O-C 3.29Å; G30-K33 VanDerWaalsContact O-C 3.29Å; G30-K33 PolarHBondContact O-N 2.95Å; G30-Y65 VanDerWaalsContact C-CD1 3.43Å
31P97.8Very high98.6Very high75 Ų7539.8 Ų39.849%0.48720%0.199SC..THydrogen-bonded Turntrans-53-35.8-175.2-26.632.9000114.7Y34 Y65P31-Y34 WeakPolarHBondContact O-CE2 3.43Å; P31-Y65 HydrophobicContact CB-CE1 4.15Å; P31-Y65 HydrophobicContact CG-CE1 3.74Å
32E97.3Very high98.3Very high186 Ų18640.3 Ų40.387%0.86921%0.208SC*.THydrogen-bonded Turntrans-102.20.6-178.5-55.6-53.9139.300113.1G30G30-E32 PolarHBondContact O-N 3.25Å; G30-E32 VanDerWaalsContact O-N 3.11Å
33K98.2Very high98.1Very high106 Ų10643 Ų4346%0.46123%0.228SC..BIsolated β-bridgetrans-147.583.7-174.9-161.5-171.586.5-177.20110.7F27 P29 G30F27-K33 HydrophobicContact CE1-CD 4.13Å; F27-K33 HydrophobicContact CE1-CG 3.94Å; F27-K33 HydrophobicContact CZ-CD 4.08Å; F27-K33 HydrophobicContact CZ-CG 3.95Å; F27-K33 WeakPolarHBondContact O-CE 3.27Å; F27-K33 PolarHBondContact O-NZ 2.99Å; P29-K33 CarbonylContact C-O 3.52Å; P29-K33 WeakPolarHBondContact CA-O 3.39Å; P29-K33 VanDerWaalsContact CB-O 3.3Å; P29-K33 WeakPolarHBondContact CB-O 3.2Å; G30-K33 PolarHBondContact N-O 3.46Å; G30-K33 CarbonylContact O-C 3.29Å; G30-K33 VanDerWaalsContact O-C 3.29Å; G30-K33 PolarHBondContact O-N 2.95Å
34Y98.8Very high98Very high64 Ų6442.4 Ų42.425%0.25123%0.227SC..  trans-75.2147.4178.3-75.1-99.7000111.8F27 P31 Y65 K67 N103F27-Y34 WeakPolarHBondContact CE1-O 3.26Å; P31-Y34 WeakPolarHBondContact O-CE2 3.43Å; Y34-Y65 WeakPolarHBondContact CA-O 3.43Å; Y34-Y65 VanDerWaalsContact CD1-C 3.43Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.34Å; Y34-Y65 HydrophobicContact CE1-CD1 4.07Å; Y34-K67 HydrophobicContact CD1-CD 4.19Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CE1-CG 4.5Å; Y34-K67 HydrophobicContact CG-CD 4.08Å; Y34-K67 HydrophobicContact CG-CG 4.13Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.36Å
35F98.9Very high98Very high0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-87.3114.1165.4-174-79.7000108.9R23 I24 F27 P29 L37 Y65 V66 K67 E132 L133R23-F35 HydrophobicContact CB-CE2 4.16Å; R23-F35 HydrophobicContact CB-CZ 4.14Å; I24-F35 HydrophobicContact CG1-CD1 3.78Å; I24-F35 HydrophobicContact CG1-CD2 4.23Å; I24-F35 HydrophobicContact CG1-CE1 3.83Å; I24-F35 HydrophobicContact CG1-CE2 4.26Å; I24-F35 HydrophobicContact CG1-CG 4Å; I24-F35 HydrophobicContact CG1-CZ 4.07Å; F27-F35 HydrophobicContact CB-CD2 3.65Å; F27-F35 HydrophobicContact CB-CE2 4.08Å; F27-F35 HydrophobicContact CD1-CB 3.96Å; F27-F35 AromaticContact CD1-CD2 3.78Å; F27-F35 HydrophobicContact CD1-CD2 3.78Å; F27-F35 HydrophobicContact CD1-CG 4.38Å; F27-F35 HydrophobicContact CD2-CD2 4.1Å; F27-F35 HydrophobicContact CE1-CB 4.11Å; F27-F35 HydrophobicContact CE1-CD2 4.38Å; F27-F35 AromaticContact CG-CD2 3.6Å; F27-F35 HydrophobicContact CG-CD2 3.6Å; F27-F35 HydrophobicContact CG-CE2 4.3Å; P29-F35 HydrophobicContact CB-CB 4.01Å; P29-F35 HydrophobicContact CG-CB 4.19Å; F35-L37 HydrophobicContact CD1-CB 4.12Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.09Å; F35-Y65 PolarHBondContact N-O 3.49Å; F35-V66 HydrophobicContact CB-CG2 4.29Å; F35-V66 CarbonylContact O-C 3.58Å; F35-V66 VanDerWaalsContact O-CA 3.28Å; F35-V66 WeakPolarHBondContact O-CA 3.43Å; F35-V66 WeakPolarHBondContact O-CG1 3.41Å; F35-K67 PolarHBondContact O-N 3.36Å; F35-E132 HydrophobicContact CD2-CB 4.49Å; F35-E132 HydrophobicContact CD2-CG 3.86Å; F35-E132 HydrophobicContact CE2-CB 4.31Å; F35-E132 HydrophobicContact CE2-CG 3.44Å; F35-E132 VanDerWaalsContact CE2-CG 3.44Å; F35-E132 HydrophobicContact CZ-CB 4.38Å; F35-E132 HydrophobicContact CZ-CG 3.82Å; F35-L133 HydrophobicContact CE1-CB 4.13Å; F35-L133 HydrophobicContact CZ-CB 3.81Å; F35-L133 HydrophobicContact CZ-CD2 4.39Å
36T98.9Very high98Very high4 Ų443.3 Ų43.33%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-91.8118.4179.945.80000111.3K67 F69 A128 G130 E132 L133T36-K67 CarbonylContact C-O 3.51Å; T36-K67 WeakPolarHBondContact CA-O 3.47Å; T36-K67 HydrophobicContact CG2-CB 4.23Å; T36-F69 HydrophobicContact CG2-CE2 4.3Å; T36-A128 HydrophobicContact CG2-CB 3.8Å; T36-G130 WeakPolarHBondContact CB-O 3.44Å; T36-G130 WeakPolarHBondContact CG2-O 3.47Å; T36-G130 PolarHBondContact OG1-O 3.11Å; T36-E132 WeakPolarHBondContact O-CB 3.34Å; T36-E132 PolarHBondContact O-N 2.88Å; T36-E132 PolarHBondContact OG1-N 3.24Å; T36-L133 PolarHBondContact O-N 3.02Å
37L98.9Very high98Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-120113.9-171.7-179.162.9000111.3I20 F35 L39 V66 K67 T68 F69 L133 V135I20-L37 HydrophobicContact CG2-CD2 4.34Å; F35-L37 HydrophobicContact CD1-CB 4.12Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.09Å; L37-L39 HydrophobicContact CD1-CD2 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4.38Å; L37-L39 HydrophobicContact CD2-CD2 3.76Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 3.72Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-V66 HydrophobicContact CB-CG1 4.12Å; L37-V66 HydrophobicContact CD2-CG1 4.46Å; L37-K67 PolarHBondContact N-O 2.85Å; L37-T68 HydrophobicContact CB-CG2 4.43Å; L37-T68 CarbonylContact O-C 3.33Å; L37-T68 VanDerWaalsContact O-CA 3.24Å; L37-T68 WeakPolarHBondContact O-CA 3.25Å; L37-F69 PolarHBondContact O-N 2.9Å; L37-L133 CarbonylContact C-O 3.55Å; L37-L133 WeakPolarHBondContact CA-O 3.29Å; L37-L133 HydrophobicContact CD1-CB 4.17Å; L37-L133 HydrophobicContact CD1-CD2 4.07Å; L37-L133 HydrophobicContact CD1-CG 4.08Å; L37-V135 HydrophobicContact CD1-CG2 3.89Å
38G98.9Very high98Very high0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-76.2135.5169.100000110.8F69 L133 V135G38-F69 CarbonylContact C-O 3.56Å; G38-F69 VanDerWaalsContact CA-O 3.24Å; G38-F69 WeakPolarHBondContact CA-O 3.2Å; G38-L133 PolarHBondContact N-O 3.32Å; G38-V135 WeakPolarHBondContact O-CB 3.49Å; G38-V135 PolarHBondContact O-N 3.47Å
39L98.9Very high98Very high2 Ų231.5 Ų31.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-131.8141.3-171.4-73.2-178.3000114L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4.38Å; L37-L39 HydrophobicContact CD2-CD2 3.76Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 3.72Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-Y49 HydrophobicContact CD1-CE1 4.3Å; L39-Y49 HydrophobicContact CD2-CE1 4.02Å; L39-T68 HydrophobicContact CD1-CG2 3.54Å; L39-T68 HydrophobicContact CG-CG2 4.38Å; L39-F69 PolarHBondContact N-O 3.39Å; L39-N70 WeakPolarHBondContact O-CA 3.43Å; L39-M71 PolarHBondContact O-N 3.26Å; L39-M71 VanDerWaalsContact O-N 3.11Å; L39-M89 HydrophobicContact CB-CE 4.14Å; L39-M89 HydrophobicContact CD1-CE 3.64Å; L39-F93 HydrophobicContact CD1-CD1 4.15Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; L39-F94 HydrophobicContact CD1-CE1 4.16Å
40P98.6Very high98Very high4 Ų436.1 Ų36.13%0.02619%0.194CC..  trans-100.4167.7173.338-29.5000113P45 Y49 M71 V135P40-P45 HydrophobicContact CG-CB 3.97Å; P40-P45 HydrophobicContact CG-CG 4.06Å; P40-Y49 PolarHBondContact O-OH 3.38Å; P40-M71 HydrophobicContact CB-CE 3.37Å; P40-M71 HydrophobicContact CB-SD 3.94Å; P40-V135 WeakPolarHBondContact CD-O 3.33Å; P40-V135 HydrophobicContact CG-CG1 4.13Å
41T97.9Very high98.1Very high16 Ų1638.1 Ų38.110%0.09820%0.198CC..  trans-111.1-171.5168.664.50000111.2P45 Y85 F88 M89T41-P45 WeakPolarHBondContact O-CD 3.17Å; T41-P45 VanDerWaalsContact O-CG 3.25Å; T41-P45 WeakPolarHBondContact O-CG 3.18Å; T41-Y85 HydrophobicContact CG2-CD1 4.02Å; T41-Y85 HydrophobicContact CG2-CD2 3.92Å; T41-Y85 HydrophobicContact CG2-CG 3.64Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.36Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.29Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.36Å; T41-F88 HydrophobicContact CG2-CD1 3.64Å; T41-F88 HydrophobicContact CG2-CE1 4.15Å; T41-F88 HydrophobicContact CG2-CG 4.26Å; T41-M89 HydrophobicContact CG2-CG 4.11Å; T41-M89 HydrophobicContact CG2-SD 3.94Å
42G94.2Very high98.1Very high23 Ų2334.6 Ų34.624%0.23718%0.175CC..SBendtrans93.9-178.2177.100000114.2P45 F88G42-P45 VanDerWaalsContact O-CD 3.3Å; G42-P45 WeakPolarHBondContact O-CD 3.48Å; G42-P45 WeakPolarHBondContact O-CG 3.49Å; G42-F88 WeakPolarHBondContact O-CZ 3.45Å
43S93.8Very high98.2Very high58 Ų5826.4 Ų26.441%0.40614%0.137SC..Hα-helixtrans-70.4-35.6-173.753.80000113.3Y9 L46Y9-S43 PolarHBondContact OH-O 3.15Å; S43-L46 WeakPolarHBondContact O-CB 3.28Å; S43-L46 PolarHBondContact O-N 3.34Å
44T97.1Very high98.2Very high13 Ų1325 Ų258%0.0813%0.132CC..Hα-helixtrans-57.7-50.1-177.9-63.10000113.8Y9 L46 L202Y9-T44 WeakPolarHBondContact CE2-O 3.31Å; T44-L46 VanDerWaalsContact C-N 3.29Å; T44-L46 PolarHBondContact O-N 3.13Å; T44-L202 HydrophobicContact CG2-CB 4.11Å; T44-L202 HydrophobicContact CG2-CD2 3.88Å; T44-L202 HydrophobicContact CG2-CG 3.66Å; T44-L202 WeakPolarHBondContact CG2-O 3.21Å; T44-L202 WeakPolarHBondContact O-CD2 3.3Å
45P98.2Very high98.2Very high8 Ų822.8 Ų22.85%0.05212%0.123CC..Hα-helixtrans-77.4-7.7179.931.4-38.9000114.7P40 T41 G42 G47 C48 Y49P40-P45 HydrophobicContact CG-CB 3.97Å; P40-P45 HydrophobicContact CG-CG 4.06Å; T41-P45 WeakPolarHBondContact O-CD 3.17Å; T41-P45 VanDerWaalsContact O-CG 3.25Å; T41-P45 WeakPolarHBondContact O-CG 3.18Å; G42-P45 VanDerWaalsContact O-CD 3.3Å; G42-P45 WeakPolarHBondContact O-CD 3.48Å; G42-P45 WeakPolarHBondContact O-CG 3.49Å; P45-G47 VanDerWaalsContact C-N 3.3Å; P45-G47 PolarHBondContact O-N 2.91Å; P45-C48 WeakPolarHBondContact O-CA 3.47Å; P45-C48 VanDerWaalsContact O-CB 3.27Å; P45-C48 WeakPolarHBondContact O-CB 3.44Å; P45-C48 PolarHBondContact O-N 3.16Å; P45-Y49 HydrophobicContact CB-CD2 4.22Å; P45-Y49 HydrophobicContact CB-CE2 3.78Å; P45-Y49 HydrophobicContact CG-CE2 4.02Å; P45-Y49 WeakPolarHBondContact O-CD2 3.49Å; P45-Y49 PolarHBondContact O-N 3.16Å
46L98.4Very high98.2Very high43 Ų4326.2 Ų26.223%0.22514%0.137CC..Hα-helixtrans-61.3-37.8-172.6-171.463.8000112.8S43 T44 C48 Y49 K50 F88 N92S43-L46 WeakPolarHBondContact O-CB 3.28Å; S43-L46 PolarHBondContact O-N 3.34Å; T44-L46 VanDerWaalsContact C-N 3.29Å; T44-L46 PolarHBondContact O-N 3.13Å; L46-C48 VanDerWaalsContact C-N 3.33Å; L46-Y49 PolarHBondContact O-N 3.43Å; L46-K50 WeakPolarHBondContact O-CG 3.47Å; L46-K50 PolarHBondContact O-N 3.27Å; L46-K50 VanDerWaalsContact O-N 3.07Å; L46-F88 HydrophobicContact CD1-CZ 4.41Å; L46-N92 HydrophobicContact CD1-CB 3.82Å
47G98.7Very high98.2Very high10 Ų1032.8 Ų32.810%0.10317%0.165CC..Hα-helixtrans-65.4-37.217500000112.3Y9 P45 K51Y9-G47 WeakPolarHBondContact OH-CA 3.25Å; Y9-G47 PolarHBondContact OH-N 2.81Å; P45-G47 VanDerWaalsContact C-N 3.3Å; P45-G47 PolarHBondContact O-N 2.91Å; G47-K51 PolarHBondContact O-N 3.22Å
48C98.9Very high98.2Very high4 Ų437.3 Ų37.33%0.02719%0.189CC..Hα-helixtrans-64.6-47.3175-175.20000110.9P45 L46 K50 K51 L52 L202P45-C48 WeakPolarHBondContact O-CA 3.47Å; P45-C48 VanDerWaalsContact O-CB 3.27Å; P45-C48 WeakPolarHBondContact O-CB 3.44Å; P45-C48 PolarHBondContact O-N 3.16Å; L46-C48 VanDerWaalsContact C-N 3.33Å; C48-K50 PolarHBondContact O-N 2.87Å; C48-K51 PolarHBondContact O-N 3.18Å; C48-K51 VanDerWaalsContact O-N 3.15Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 3.3Å; C48-L202 HydrophobicContact CB-CD2 4.47Å
49Y98.9Very high98.1Very high4 Ų438.8 Ų38.82%0.01621%0.205CC..Hα-helixtrans-59.7-43176.9-68.8-47.9000112.7L39 P40 P45 L46 K51 L52 I53 F88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.3Å; L39-Y49 HydrophobicContact CD2-CE1 4.02Å; P40-Y49 PolarHBondContact O-OH 3.38Å; P45-Y49 HydrophobicContact CB-CD2 4.22Å; P45-Y49 HydrophobicContact CB-CE2 3.78Å; P45-Y49 HydrophobicContact CG-CE2 4.02Å; P45-Y49 WeakPolarHBondContact O-CD2 3.49Å; P45-Y49 PolarHBondContact O-N 3.16Å; L46-Y49 PolarHBondContact O-N 3.43Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.47Å; Y49-L52 HydrophobicContact CD1-CD1 4.42Å; Y49-L52 PolarHBondContact O-N 2.93Å; Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.45Å; Y49-I53 PolarHBondContact O-N 2.79Å; Y49-F88 HydrophobicContact CD2-CE1 4.36Å; Y49-F88 AromaticContact CE2-CE1 3.98Å; Y49-F88 HydrophobicContact CE2-CE1 3.98Å; Y49-M89 HydrophobicContact CE1-CE 4.33Å; Y49-M89 HydrophobicContact CE2-SD 4.33Å; Y49-F93 HydrophobicContact CD1-CB 3.97Å; Y49-F93 AromaticContact CD1-CD1 3.72Å; Y49-F93 HydrophobicContact CD1-CD1 3.72Å; Y49-F93 AromaticContact CD1-CD2 3.6Å; Y49-F93 HydrophobicContact CD1-CD2 3.6Å; Y49-F93 HydrophobicContact CD1-CE1 4.06Å; Y49-F93 AromaticContact CD1-CE2 3.95Å; Y49-F93 HydrophobicContact CD1-CE2 3.95Å; Y49-F93 AromaticContact CD1-CG 3.49Å; Y49-F93 HydrophobicContact CD1-CG 3.49Å; Y49-F93 VanDerWaalsContact CD1-CG 3.49Å; Y49-F93 HydrophobicContact CD1-CZ 4.16Å; Y49-F93 HydrophobicContact CE1-CB 4.4Å; Y49-F93 AromaticContact CE1-CD1 3.68Å; Y49-F93 HydrophobicContact CE1-CD1 3.68Å; Y49-F93 HydrophobicContact CE1-CD2 4.4Å; Y49-F93 AromaticContact CE1-CE1 3.97Å; Y49-F93 HydrophobicContact CE1-CE1 3.97Å; Y49-F93 AromaticContact CE1-CG 3.93Å; Y49-F93 HydrophobicContact CE1-CG 3.93Å; Y49-F93 HydrophobicContact CE1-CZ 4.45Å; Y49-F93 HydrophobicContact CG-CB 4.14Å; Y49-F93 HydrophobicContact CG-CD2 4.19Å; Y49-F93 HydrophobicContact CG-CG 4.12Å
50K98.9Very high98.1Very high121 Ų12139.9 Ų39.953%0.52621%0.211SC..Hα-helixtrans-56.4-45.4174.9-73.7174.9179.8-179.20111.7L46 C48 I53 E54L46-K50 WeakPolarHBondContact O-CG 3.47Å; L46-K50 PolarHBondContact O-N 3.27Å; L46-K50 VanDerWaalsContact O-N 3.07Å; C48-K50 PolarHBondContact O-N 2.87Å; K50-I53 PolarHBondContact O-N 2.78Å; K50-E54 WeakPolarHBondContact O-CG 3.26Å; K50-E54 PolarHBondContact O-N 3.45Å
51K98.9Very high98.1Very high59 Ų5939.8 Ų39.826%0.25721%0.21SC..Hα-helixtrans-67.3-38.9178-71.9-72.7163.5-159.90113.1E14 A17 G47 C48 Y49 I53 E54 Y55E14-K51 HydrophobicContact CB-CG 4.49Å; E14-K51 HydrophobicContact CG-CD 4.3Å; A17-K51 HydrophobicContact CB-CB 3.46Å; A17-K51 VanDerWaalsContact CB-CB 3.46Å; A17-K51 HydrophobicContact CB-CG 4.48Å; G47-K51 PolarHBondContact O-N 3.22Å; C48-K51 PolarHBondContact O-N 3.18Å; C48-K51 VanDerWaalsContact O-N 3.15Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.47Å; K51-I53 VanDerWaalsContact C-N 3.34Å; K51-E54 WeakPolarHBondContact CD-OE2 3.48Å; K51-E54 IonicContact NZ-OE1 3.07Å; K51-E54 IonicContact NZ-OE2 3.49Å; K51-E54 PolarHBondContact NZ-OE2 3.19Å; K51-E54 WeakPolarHBondContact O-CB 3.44Å; K51-E54 PolarHBondContact O-N 3.37Å; K51-Y55 HydrophobicContact CB-CE2 4.44Å; K51-Y55 VanDerWaalsContact O-CD2 3.3Å; K51-Y55 WeakPolarHBondContact O-CD2 3.41Å; K51-Y55 VanDerWaalsContact O-CG 3.26Å; K51-Y55 PolarHBondContact O-N 3.47Å
52L98.9Very high98.2Very high1 Ų140.7 Ų40.71%0.00522%0.217CC..Hα-helixtrans-63.3-40.2174.2-69.7175.2000112.1A17 I20 C48 Y49 Y55 Y56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.1Å; A17-L52 HydrophobicContact CB-CG 4.1Å; I20-L52 HydrophobicContact CB-CD2 4.1Å; I20-L52 HydrophobicContact CD1-CD1 4.11Å; I20-L52 HydrophobicContact CG2-CD1 4.21Å; I20-L52 HydrophobicContact CG2-CD2 3.9Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 3.3Å; Y49-L52 HydrophobicContact CD1-CD1 4.42Å; Y49-L52 PolarHBondContact O-N 2.93Å; L52-Y55 HydrophobicContact CD2-CD2 4.4Å; L52-Y55 PolarHBondContact O-N 2.9Å; L52-Y56 PolarHBondContact O-N 3.03Å; L52-L61 HydrophobicContact CD2-CD2 3.92Å; L52-F63 HydrophobicContact CB-CZ 4.2Å; L52-F63 HydrophobicContact CD2-CZ 4.38Å; L52-F93 HydrophobicContact CB-CE2 3.85Å; L52-F93 HydrophobicContact CB-CZ 4.41Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.05Å
53I98.9Very high98.4Very high15 Ų1539.6 Ų39.68%0.07721%0.206CC..Hα-helixtrans-63.5-42.9173.5-67.7163.6000110.7Y49 K50 K51 Y55 Y56 K57 N92 F93 H96 I97Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.45Å; Y49-I53 PolarHBondContact O-N 2.79Å; K50-I53 PolarHBondContact O-N 2.78Å; K51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 VanDerWaalsContact C-N 3.34Å; I53-Y55 PolarHBondContact O-N 2.73Å; I53-Y56 PolarHBondContact O-N 2.98Å; I53-K57 HydrophobicContact CG2-CD 3.87Å; I53-K57 VanDerWaalsContact CG2-CE 3.5Å; I53-K57 HydrophobicContact CG2-CG 4.23Å; I53-K57 WeakPolarHBondContact O-CB 3.31Å; I53-K57 WeakPolarHBondContact O-CG 3.4Å; I53-K57 PolarHBondContact O-N 2.91Å; I53-N92 WeakPolarHBondContact CD1-O 3.28Å; I53-F93 HydrophobicContact CD1-CD2 4.34Å; I53-F93 HydrophobicContact CG1-CD2 4.04Å; I53-F93 HydrophobicContact CG1-CE2 4.45Å; I53-H96 HydrophobicContact CD1-CB 3.76Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.91Å; I53-I97 HydrophobicContact CG1-CG2 4.08Å
54E98.9Very high98.6Very high77 Ų7741.1 Ų41.136%0.3621%0.205SC..Hα-helixtrans-57.9-45.8174.7-72.5168.6-148.500111.1K50 K51 Y56 K57 N58K50-E54 WeakPolarHBondContact O-CG 3.26Å; K50-E54 PolarHBondContact O-N 3.45Å; K51-E54 WeakPolarHBondContact CD-OE2 3.48Å; K51-E54 IonicContact NZ-OE1 3.07Å; K51-E54 IonicContact NZ-OE2 3.49Å; K51-E54 PolarHBondContact NZ-OE2 3.19Å; K51-E54 WeakPolarHBondContact O-CB 3.44Å; K51-E54 PolarHBondContact O-N 3.37Å; E54-Y56 PolarHBondContact O-N 2.8Å; E54-K57 PolarHBondContact O-N 3.08Å; E54-N58 WeakPolarHBondContact O-CB 3.27Å; E54-N58 PolarHBondContact O-N 2.97Å; E54-N58 PolarHBondContact O-ND2 3.02Å; E54-N58 PolarHBondContact O-OD1 3.16Å
55Y98.9Very high98.7Very high16 Ų1643.5 Ų43.56%0.06321%0.213CC..Hα-helixtrans-63.5-39.2177.3-59.6-30.2000113A17 K18 R21 K51 L52 I53 G59 D60 L61A17-Y55 HydrophobicContact CB-CE2 3.9Å; K18-Y55 HydrophobicContact CG-CE2 4.43Å; K18-Y55 VanDerWaalsContact CG-OH 3.29Å; K18-Y55 WeakPolarHBondContact CG-OH 3.45Å; R21-Y55 HydrophobicContact CB-CD2 4.07Å; R21-Y55 HydrophobicContact CB-CE2 4.4Å; R21-Y55 HydrophobicContact CG-CD2 4.34Å; K51-Y55 HydrophobicContact CB-CE2 4.44Å; K51-Y55 VanDerWaalsContact O-CD2 3.3Å; K51-Y55 WeakPolarHBondContact O-CD2 3.41Å; K51-Y55 VanDerWaalsContact O-CG 3.26Å; K51-Y55 PolarHBondContact O-N 3.47Å; L52-Y55 HydrophobicContact CD2-CD2 4.4Å; L52-Y55 PolarHBondContact O-N 2.9Å; I53-Y55 VanDerWaalsContact C-N 3.34Å; I53-Y55 PolarHBondContact O-N 2.73Å; Y55-G59 PolarHBondContact O-N 3.3Å; Y55-D60 PolarHBondContact O-N 3.22Å; Y55-L61 PolarHBondContact O-N 2.95Å
56Y98.8Very high98.8Very high73 Ų7343.1 Ų43.129%0.28621%0.21SC..Hα-helixtrans-63.5-50.8173.4165.1-105.3000111.9L52 I53 E54 N58 G59 L61 H96 I97 D98L52-Y56 PolarHBondContact O-N 3.03Å; I53-Y56 PolarHBondContact O-N 2.98Å; E54-Y56 PolarHBondContact O-N 2.8Å; Y56-N58 PolarHBondContact O-N 2.53Å; Y56-G59 WeakPolarHBondContact O-CA 3.5Å; Y56-G59 PolarHBondContact O-N 2.96Å; Y56-L61 WeakPolarHBondContact CA-O 3.41Å; Y56-H96 WeakPolarHBondContact CD1-O 3.5Å; Y56-H96 WeakPolarHBondContact CE1-O 3.26Å; Y56-I97 HydrophobicContact CD1-CB 4.25Å; Y56-I97 HydrophobicContact CD1-CG2 4.02Å; Y56-I97 HydrophobicContact CG-CB 4.29Å; Y56-I97 HydrophobicContact CG-CG2 4.08Å; Y56-D98 HydrophobicContact CD2-CB 4.45Å; Y56-D98 HydrophobicContact CE2-CB 3.51Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.36Å
57K98.6Very high98.8Very high142 Ų14243 Ų4362%0.61721%0.208SC*.Hα-helixtrans-60.8-32179.4-74179.4177.9177.50112.6I53 E54 G59I53-K57 HydrophobicContact CG2-CD 3.87Å; I53-K57 VanDerWaalsContact CG2-CE 3.5Å; I53-K57 HydrophobicContact CG2-CG 4.23Å; I53-K57 WeakPolarHBondContact O-CB 3.31Å; I53-K57 WeakPolarHBondContact O-CG 3.4Å; I53-K57 PolarHBondContact O-N 2.91Å; E54-K57 PolarHBondContact O-N 3.08Å; K57-G59 PolarHBondContact O-N 2.87Å
58N98.5Very high98.8Very high94 Ų9442.5 Ų42.550%0.50320%0.203SC..THydrogen-bonded Turntrans-75-5.9174.8-68.5-11.2000113E54 Y56 D60 K273E54-N58 WeakPolarHBondContact O-CB 3.27Å; E54-N58 PolarHBondContact O-N 2.97Å; E54-N58 PolarHBondContact O-ND2 3.02Å; E54-N58 PolarHBondContact O-OD1 3.16Å; Y56-N58 PolarHBondContact O-N 2.53Å; N58-D60 VanDerWaalsContact C-N 3.3Å; N58-K273 WeakPolarHBondContact O-CE 3.18Å; N58-K273 PolarHBondContact O-NZ 3.06Å
59G98.2Very high98.8Very high32 Ų3242.3 Ų42.333%0.3320%0.202SC..THydrogen-bonded Turntrans7320.9-176.700000113.6Y55 Y56 K57 I272 K273Y55-G59 PolarHBondContact O-N 3.3Å; Y56-G59 WeakPolarHBondContact O-CA 3.5Å; Y56-G59 PolarHBondContact O-N 2.96Å; K57-G59 PolarHBondContact O-N 2.87Å; G59-I272 VanDerWaalsContact O-CG1 3.26Å; G59-I272 WeakPolarHBondContact O-CG1 3.34Å; G59-K273 WeakPolarHBondContact O-CG 3.24Å
60D98.4Very high98.8Very high24 Ų2442.1 Ų42.113%0.12820%0.201CC..SBendtrans-95.6-16.8-178.3-71.5-26.9000113.9R21 I25 Y55 N58 S271 I272 K273R21-D60 VanDerWaalsContact CZ-CB 3.41Å; R21-D60 IonicContact CZ-OD2 3.73Å; R21-D60 IonicContact NH1-OD2 3.05Å; R21-D60 PolarHBondContact NH1-OD2 2.92Å; R21-D60 IonicContact NH2-OD2 3.89Å; R21-D60 PolarHBondContact NH2-OD2 3.33Å; I25-D60 WeakPolarHBondContact CD1-O 3.32Å; Y55-D60 PolarHBondContact O-N 3.22Å; N58-D60 VanDerWaalsContact C-N 3.3Å; D60-S271 WeakPolarHBondContact CA-OG 3.2Å; D60-S271 PolarHBondContact OD1-OG 2.9Å; D60-I272 PolarHBondContact O-N 3.41Å; D60-K273 WeakPolarHBondContact OD1-CE 3.17Å; D60-K273 IonicContact OD1-NZ 3.51Å; D60-K273 PolarHBondContact OD1-NZ 3.09Å
61L98.8Very high98.8Very high2 Ų237 Ų371%0.0118%0.179CC..  trans-142.6143.9-176.4-178.462.7000109.3R21 I24 I25 L52 Y55 Y56 F63R21-L61 HydrophobicContact CB-CD2 4.09Å; R21-L61 HydrophobicContact CG-CD1 4.32Å; R21-L61 HydrophobicContact CG-CD2 4.38Å; I24-L61 HydrophobicContact CB-CD1 4.01Å; I24-L61 HydrophobicContact CD1-CD1 4.3Å; I24-L61 HydrophobicContact CG2-CD1 3.83Å; I25-L61 HydrophobicContact CD1-CD1 4.3Å; I25-L61 HydrophobicContact CG1-CD1 4Å; L52-L61 HydrophobicContact CD2-CD2 3.92Å; Y55-L61 PolarHBondContact O-N 2.95Å; Y56-L61 WeakPolarHBondContact CA-O 3.41Å; L61-F63 HydrophobicContact CD2-CE1 4.43Å; L61-F63 HydrophobicContact CD2-CE2 3.68Å; L61-F63 HydrophobicContact CD2-CZ 3.51Å; L61-F63 HydrophobicContact CG-CE2 3.95Å; L61-F63 HydrophobicContact CG-CZ 4.14Å
62S98.8Very high98.7Very high36 Ų3634.4 Ų34.425%0.25217%0.168SC..  trans-131.3144173.9167.40000109.7K64 D98S62-K64 WeakPolarHBondContact OG-CB 3.38Å; S62-K64 PolarHBondContact OG-N 3.24Å; S62-D98 WeakPolarHBondContact CB-OD2 3.35Å; S62-D98 PolarHBondContact OG-OD2 3.35Å
63F98.9Very high98.7Very high0 Ų034.6 Ų34.60%017%0.169CC..  trans-107.77.1177.6-65.9-90.7000112.8I24 L52 L61 Y65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.32Å; I24-F63 HydrophobicContact CD1-CE1 3.82Å; L52-F63 HydrophobicContact CB-CZ 4.2Å; L52-F63 HydrophobicContact CD2-CZ 4.38Å; L61-F63 HydrophobicContact CD2-CE1 4.43Å; L61-F63 HydrophobicContact CD2-CE2 3.68Å; L61-F63 HydrophobicContact CD2-CZ 3.51Å; L61-F63 HydrophobicContact CG-CE2 3.95Å; L61-F63 HydrophobicContact CG-CZ 4.14Å; F63-Y65 PolarHBondContact O-N 3.24Å; F63-Y65 VanDerWaalsContact O-N 3.14Å; F63-V66 HydrophobicContact CB-CB 4.25Å; F63-V66 HydrophobicContact CB-CG2 4.26Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.18Å; F63-V66 HydrophobicContact CD1-CG2 3.93Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 WeakPolarHBondContact O-CB 3.46Å; F63-V66 PolarHBondContact O-N 2.8Å; F63-F93 HydrophobicContact CD1-CZ 4.37Å; F63-F93 AromaticContact CE1-CZ 3.75Å; F63-F93 HydrophobicContact CE1-CZ 3.75Å; F63-F93 HydrophobicContact CE2-CZ 4.38Å; 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 4.07Å; F63-I97 HydrophobicContact CD1-CD1 4.17Å; F63-I97 HydrophobicContact CD2-CB 3.91Å; F63-I97 HydrophobicContact CD2-CD1 3.86Å; F63-I97 HydrophobicContact CD2-CG1 4.44Å; F63-I97 HydrophobicContact CD2-CG2 4.05Å; F63-I97 HydrophobicContact CE2-CB 4.44Å; F63-I97 HydrophobicContact CE2-CD1 4.34Å; F63-I97 HydrophobicContact CE2-CG2 4.06Å; F63-I97 HydrophobicContact CG-CD1 3.77Å; F63-D98 PolarHBondContact N-OD1 2.94Å; F63-I99 HydrophobicContact CB-CB 3.87Å; F63-I99 HydrophobicContact CB-CG1 4.36Å
64K98.8Very high98.7Very high90 Ų9034 Ų3439%0.39117%0.166SC..THydrogen-bonded Turntrans-51.5-39.9-178.6-178173.6-179173.90114S62S62-K64 WeakPolarHBondContact OG-CB 3.38Å; S62-K64 PolarHBondContact OG-N 3.24Å
65Y98.9Very high98.7Very high62 Ų6231.5 Ų31.524%0.24316%0.156CC..THydrogen-bonded Turntrans-109.533.6177.9-58.1-66.6000112.4P29 G30 P31 Y34 F35 F63P29-Y65 WeakPolarHBondContact CB-O 3.4Å; G30-Y65 VanDerWaalsContact C-CD1 3.43Å; P31-Y65 HydrophobicContact CB-CE1 4.15Å; P31-Y65 HydrophobicContact CG-CE1 3.74Å; Y34-Y65 WeakPolarHBondContact CA-O 3.43Å; Y34-Y65 VanDerWaalsContact CD1-C 3.43Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.34Å; Y34-Y65 HydrophobicContact CE1-CD1 4.07Å; F35-Y65 PolarHBondContact N-O 3.49Å; F63-Y65 PolarHBondContact O-N 3.24Å; F63-Y65 VanDerWaalsContact O-N 3.14Å
66V98.9Very high98.6Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-106.4137.2172.8178.10000109.2I24 F35 L37 F63 T68 I99 N103I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG2-CG2 4.25Å; F35-V66 HydrophobicContact CB-CG2 4.29Å; F35-V66 CarbonylContact O-C 3.58Å; F35-V66 VanDerWaalsContact O-CA 3.28Å; F35-V66 WeakPolarHBondContact O-CA 3.43Å; F35-V66 WeakPolarHBondContact O-CG1 3.41Å; L37-V66 HydrophobicContact CB-CG1 4.12Å; L37-V66 HydrophobicContact CD2-CG1 4.46Å; F63-V66 HydrophobicContact CB-CB 4.25Å; F63-V66 HydrophobicContact CB-CG2 4.26Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.18Å; F63-V66 HydrophobicContact CD1-CG2 3.93Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 WeakPolarHBondContact O-CB 3.46Å; F63-V66 PolarHBondContact O-N 2.8Å; V66-T68 HydrophobicContact CG1-CG2 4.15Å; V66-I99 HydrophobicContact CB-CD1 4.41Å; V66-I99 HydrophobicContact CG1-CD1 4.33Å; V66-N103 WeakPolarHBondContact O-CB 3.41Å
67K98.9Very high98.6Very high40 Ų4030.7 Ų30.717%0.17417%0.17CC..EExtended strand (participates in β ladder)trans-110.7130.6167.9-74.7177.4178.3-175.10109.1Y34 F35 T36 L37 F69 N103 Y105 A128Y34-K67 HydrophobicContact CD1-CD 4.19Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CE1-CG 4.5Å; Y34-K67 HydrophobicContact CG-CD 4.08Å; Y34-K67 HydrophobicContact CG-CG 4.13Å; F35-K67 PolarHBondContact O-N 3.36Å; T36-K67 CarbonylContact C-O 3.51Å; T36-K67 WeakPolarHBondContact CA-O 3.47Å; T36-K67 HydrophobicContact CG2-CB 4.23Å; L37-K67 PolarHBondContact N-O 2.85Å; K67-F69 HydrophobicContact CB-CE2 4.14Å; K67-N103 CarbonylContact C-O 3.55Å; K67-N103 VanDerWaalsContact CA-O 3.27Å; K67-N103 WeakPolarHBondContact CA-O 3.44Å; K67-N103 VanDerWaalsContact CE-OD1 3.26Å; K67-N103 WeakPolarHBondContact CE-OD1 3.3Å; K67-N103 HydrophobicContact CG-CB 3.84Å; K67-Y105 HydrophobicContact CB-CE2 4.34Å; K67-Y105 HydrophobicContact CD-CE2 4.38Å; K67-Y105 HydrophobicContact CG-CE2 4.36Å; K67-A128 HydrophobicContact CD-CB 4.18Å
68T98.9Very high98.5Very high0 Ų027 Ų270%016%0.161CC..EExtended strand (participates in β ladder)trans-110.1142.9-179.457.10000112.3L37 L39 V66 F94 I99 N103 T104 Y105L37-T68 HydrophobicContact CB-CG2 4.43Å; L37-T68 CarbonylContact O-C 3.33Å; L37-T68 VanDerWaalsContact O-CA 3.24Å; L37-T68 WeakPolarHBondContact O-CA 3.25Å; L39-T68 HydrophobicContact CD1-CG2 3.54Å; L39-T68 HydrophobicContact CG-CG2 4.38Å; V66-T68 HydrophobicContact CG1-CG2 4.15Å; T68-F94 HydrophobicContact CG2-CE1 4.24Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.49Å; T68-I99 HydrophobicContact CG2-CD1 3.55Å; T68-N103 PolarHBondContact N-O 3.48Å; T68-T104 WeakPolarHBondContact OG1-CA 3.22Å; T68-Y105 WeakPolarHBondContact O-CB 3.44Å; T68-Y105 VanDerWaalsContact O-CD2 3.28Å; T68-Y105 WeakPolarHBondContact O-CD2 3.24Å; T68-Y105 PolarHBondContact O-N 3.36Å
69F98.9Very high98.5Very high1 Ų128.3 Ų28.30%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-130.5112.4175.8-66.3-93.5000109.1T36 L37 G38 L39 K67 Y105 F121 K124 I125 A128 I131T36-F69 HydrophobicContact CG2-CE2 4.3Å; L37-F69 PolarHBondContact O-N 2.9Å; G38-F69 CarbonylContact C-O 3.56Å; G38-F69 VanDerWaalsContact CA-O 3.24Å; G38-F69 WeakPolarHBondContact CA-O 3.2Å; L39-F69 PolarHBondContact N-O 3.39Å; K67-F69 HydrophobicContact CB-CE2 4.14Å; F69-Y105 WeakPolarHBondContact CA-O 3.38Å; F69-Y105 AromaticContact CD1-CD2 3.83Å; F69-Y105 HydrophobicContact CD1-CD2 3.83Å; F69-Y105 HydrophobicContact CD1-CG 4.05Å; F69-Y105 HydrophobicContact CD2-CD2 4.3Å; F69-Y105 AromaticContact CE1-CD2 3.35Å; F69-Y105 HydrophobicContact CE1-CD2 3.35Å; F69-Y105 HydrophobicContact CE1-CE2 4.04Å; F69-Y105 AromaticContact CE1-CG 3.73Å; F69-Y105 HydrophobicContact CE1-CG 3.73Å; F69-Y105 AromaticContact CE2-CD2 3.87Å; F69-Y105 HydrophobicContact CE2-CD2 3.87Å; F69-Y105 HydrophobicContact CE2-CE2 4.22Å; F69-Y105 HydrophobicContact CG-CD2 4.28Å; F69-Y105 AromaticContact CZ-CD2 3.37Å; F69-Y105 HydrophobicContact CZ-CD2 3.37Å; F69-Y105 AromaticContact CZ-CE2 3.67Å; F69-Y105 HydrophobicContact CZ-CE2 3.67Å; F69-Y105 HydrophobicContact CZ-CG 4.22Å; F69-F121 HydrophobicContact CB-CE1 4.39Å; F69-F121 HydrophobicContact CB-CZ 4.08Å; F69-F121 HydrophobicContact CD1-CE1 4.21Å; F69-F121 HydrophobicContact CD1-CE2 4.38Å; F69-F121 AromaticContact CD1-CZ 3.91Å; F69-F121 HydrophobicContact CD1-CZ 3.91Å; F69-K124 HydrophobicContact CE1-CB 4.03Å; F69-I125 HydrophobicContact CD1-CD1 4.35Å; F69-I125 HydrophobicContact CD1-CG1 3.46Å; F69-I125 VanDerWaalsContact CD1-CG1 3.46Å; F69-I125 HydrophobicContact CE1-CB 4.38Å; F69-I125 HydrophobicContact CE1-CG1 3.64Å; F69-I125 HydrophobicContact CG-CG1 4.03Å; F69-I125 HydrophobicContact CZ-CG1 4.34Å; F69-A128 HydrophobicContact CE2-CB 4Å; F69-A128 HydrophobicContact CZ-CB 3.75Å; F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.45Å; F69-I131 VanDerWaalsContact CD2-CD1 3.45Å; F69-I131 HydrophobicContact CE2-CD1 4.04Å; F69-I131 HydrophobicContact CG-CD1 3.87Å
70N98.9Very high98.4Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-75.7149.8176.6-88.771000111.9L39 D72 M89 Y105 I106 F121L39-N70 WeakPolarHBondContact O-CA 3.43Å; N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 2.91Å; N70-M89 WeakPolarHBondContact ND2-CG 3.46Å; N70-M89 PolarHBondContact ND2-SD 3.06Å; N70-Y105 PolarHBondContact N-O 2.97Å; N70-I106 HydrophobicContact CB-CB 4.34Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.19Å; N70-F121 WeakPolarHBondContact O-CZ 3.3Å
71M98.3Very high98.4Very high12 Ų1235 Ų356%0.05919%0.185CC..SBendtrans-65.6-33.8-179.1-69.9-174.2-36.400113.9L39 P40 F134 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 3.26Å; L39-M71 VanDerWaalsContact O-N 3.11Å; P40-M71 HydrophobicContact CB-CE 3.37Å; P40-M71 HydrophobicContact CB-SD 3.94Å; M71-F134 HydrophobicContact CG-CE1 3.31Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.91Å; M71-I144 HydrophobicContact SD-CD1 4.04Å; M71-A145 HydrophobicContact CB-CB 3.78Å; M71-A145 HydrophobicContact CE-CB 4.39Å; M71-A145 HydrophobicContact CG-CB 4.3Å; M71-A145 HydrophobicContact SD-CB 4.22Å; M71-T187 CarbonylContact O-C 3.46Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; M71-V188 HydrophobicContact CB-CG2 4.17Å; M71-V188 HydrophobicContact CG-CG2 4.39Å; M71-V188 WeakPolarHBondContact O-CG2 3.27Å; M71-V188 PolarHBondContact O-N 3.33Å
72D98.4Very high98.3Very high6 Ų639.1 Ų39.13%0.03221%0.212CC..EExtended strand (participates in β ladder)trans-163.9166.3-164.231.152.8000112.5N70 Y85 A145 F146 L186N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 2.91Å; D72-Y85 WeakPolarHBondContact O-CD2 3.32Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.23Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.37Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.39Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.43Å; D72-A145 WeakPolarHBondContact OD2-CB 3.28Å; D72-F146 HydrophobicContact CB-CD2 3.51Å; D72-F146 HydrophobicContact CB-CE2 3.84Å; D72-L186 CarbonylContact C-O 3.56Å; D72-L186 WeakPolarHBondContact CA-O 3.18Å; D72-L186 WeakPolarHBondContact CB-O 3.38Å
73E98.6Very high98.2Very high4 Ų440.6 Ų40.62%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-153.5147.4166.9-179.956.7-88.800109.7Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 3.4Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.44Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.44Å; E73-Y85 PolarHBondContact OE2-N 2.98Å; E73-H86 IonicContact OE2-CD2 2.91Å; E73-H86 PolarHBondContact OE2-CD2 2.93Å; E73-H86 IonicContact OE2-CG 3.54Å; E73-H86 PolarHBondContact OE2-N 2.88Å; E73-I106 HydrophobicContact CB-CG2 4.22Å; E73-L107 HydrophobicContact CB-CB 4.13Å; E73-L107 WeakPolarHBondContact CB-O 3.49Å; E73-A185 CarbonylContact O-C 3.55Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.35Å; E73-A185 WeakPolarHBondContact O-CB 3.43Å; E73-L186 PolarHBondContact N-O 3.01Å; E73-L186 PolarHBondContact O-N 3.02Å
74Y98.4Very high98.2Very high3 Ų340.6 Ų40.61%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-68.2138.2175.2-69.6-60.5000112.5L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.82Å; Y74-L77 HydrophobicContact CG-CD2 4.4Å; Y74-Y85 HydrophobicContact CD2-CE1 4.36Å; Y74-Y85 HydrophobicContact CE2-CD1 4.26Å; Y74-Y85 AromaticContact CE2-CE1 3.69Å; Y74-Y85 HydrophobicContact CE2-CE1 3.69Å; Y74-Y85 AromaticContact CE2-CZ 3.91Å; Y74-Y85 PolarHBondContact OH-OH 3.44Å; Y74-G109 WeakPolarHBondContact O-CA 3.14Å; Y74-F146 HydrophobicContact CE1-CE2 4.3Å; Y74-F146 AromaticContact CE1-CZ 3.88Å; Y74-F146 HydrophobicContact CE1-CZ 3.88Å; Y74-L162 HydrophobicContact CD1-CD1 4.3Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; Y74-N170 PolarHBondContact OH-ND2 3.14Å; Y74-F174 HydrophobicContact CD2-CZ 4.33Å; Y74-F174 HydrophobicContact CE2-CE2 4.22Å; Y74-F174 AromaticContact CE2-CZ 3.86Å; Y74-F174 HydrophobicContact CE2-CZ 3.86Å; Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.83Å; Y74-P182 HydrophobicContact CD2-CG 4.29Å; Y74-P182 HydrophobicContact CE1-CG 4.47Å; Y74-P182 HydrophobicContact CG-CB 3.97Å; Y74-P182 HydrophobicContact CG-CG 3.71Å
75V98.5Very high98.2Very high24 Ų2437.5 Ų37.515%0.14520%0.201CC..THydrogen-bonded Turntrans-79.5133.5174.5174.10000110.3L77 G109 L114 M184 L186V75-L77 PolarHBondContact O-N 3.46Å; V75-G109 CarbonylContact C-O 3.56Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.21Å; V75-L114 HydrophobicContact CG1-CD1 3.76Å; V75-L114 HydrophobicContact CG1-CD2 4.32Å; V75-L114 HydrophobicContact CG2-CD1 4.15Å; V75-L114 HydrophobicContact CG2-CD2 4.46Å; V75-M184 HydrophobicContact CB-CB 4.02Å; V75-M184 HydrophobicContact CG1-CE 4.22Å; V75-M184 HydrophobicContact CG2-CB 4.14Å; V75-M184 PolarHBondContact N-O 3.25Å; V75-L186 HydrophobicContact CG2-CD2 3.75Å; V75-L186 HydrophobicContact CG2-CG 3.89Å
76G97.3Very high98.2Very high55 Ų5536.3 Ų36.357%0.56720%0.198SC*.THydrogen-bonded Turntrans75.34.6173.800000115.5G109 N110G76-G109 PolarHBondContact N-O 2.85Å; G76-N110 VanDerWaalsContact CA-OD1 3.31Å; G76-N110 WeakPolarHBondContact CA-OD1 3.21Å
77L97.4Very high98.2Very high17 Ų1737 Ų379%0.08920%0.202CC..SBendtrans-88.6129.6173.5-167.368.6000109.3Y74 V75 R79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.82Å; Y74-L77 HydrophobicContact CG-CD2 4.4Å; V75-L77 PolarHBondContact O-N 3.46Å; L77-R79 PolarHBondContact O-N 2.94Å; L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.33Å; L77-H81 HydrophobicContact CG-CB 3.91Å; L77-N110 PolarHBondContact O-ND2 3.29Å; L77-N110 PolarHBondContact O-OD1 2.9Å; L77-F174 HydrophobicContact CD1-CE1 4.15Å; L77-F174 HydrophobicContact CD2-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CZ 4.24Å; L77-P182 HydrophobicContact CB-CG 4.22Å; L77-P182 HydrophobicContact CD1-CG 4.31Å; L77-P182 HydrophobicContact CD2-CG 4.38Å
78P98.3Very high98.1Very high64 Ų6436.7 Ų36.742%0.41620%0.201SC..  trans-53.3137.4178.9-2633.8000111.7D80 H81P78-D80 WeakPolarHBondContact CB-OD1 3.21Å; P78-D80 PolarHBondContact O-N 3.18Å; P78-H81 HydrophobicContact CB-CB 4.16Å; P78-H81 WeakPolarHBondContact O-CB 3.5Å; P78-H81 PolarHBondContact O-N 3.45Å
79R97.7Very high98.1Very high122 Ų12236.7 Ų36.746%0.4620%0.201SC..THydrogen-bonded Turntrans-57.5-35.6-176.9-177.1175.7-67.71773.6112.3L77 S84 H86 S87 D108L77-R79 PolarHBondContact O-N 2.94Å; R79-S84 PolarHBondContact O-OG 3.02Å; R79-H86 HydrophobicContact CG-CB 3.69Å; R79-S87 PolarHBondContact O-OG 2.96Å; R79-D108 IonicContact CZ-OD1 3.89Å; R79-D108 IonicContact NH2-OD1 3.18Å; R79-D108 PolarHBondContact NH2-OD1 2.99Å; R79-D108 IonicContact NH2-OD2 3.85Å; R79-D108 PolarHBondContact NH2-OD2 3.09Å
80D97.1Very high98.1Very high137 Ų13743 Ų4373%0.73323%0.225SC*.THydrogen-bonded Turntrans-87-2.8178.762.5-24.8000113.9P78 S87P78-D80 WeakPolarHBondContact CB-OD1 3.21Å; P78-D80 PolarHBondContact O-N 3.18Å; D80-S87 PolarHBondContact O-OG 2.96Å
81H97.9Very high98.1Very high60 Ų6046 Ų4628%0.27824%0.241SC..SBendtrans-56.5136.7172.5-170.8-85.6000109.6L77 P78 E83 S84 S87L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.33Å; L77-H81 HydrophobicContact CG-CB 3.91Å; P78-H81 HydrophobicContact CB-CB 4.16Å; P78-H81 WeakPolarHBondContact O-CB 3.5Å; P78-H81 PolarHBondContact O-N 3.45Å; H81-E83 PolarHBondContact ND1-N 2.95Å; H81-E83 VanDerWaalsContact ND1-N 3.14Å; H81-E83 PolarHBondContact O-N 3.17Å; H81-E83 VanDerWaalsContact O-N 3.14Å; H81-S84 WeakPolarHBondContact O-CB 3.35Å; H81-S84 PolarHBondContact O-N 2.91Å; H81-S84 PolarHBondContact O-OG 3.16Å; H81-S87 WeakPolarHBondContact O-CB 3.31Å; H81-S87 PolarHBondContact O-OG 2.75Å
82P96.6Very high98.1Very high89 Ų8948 Ų4858%0.57825%0.252SS*.THydrogen-bonded Turntrans-58.3-32.1-174.820.3-33.3000113.8S87P82-S87 WeakPolarHBondContact O-CB 3.24Å
83E96.8Very high98.2Very high66 Ų6647.7 Ų47.731%0.30825%0.25SS..THydrogen-bonded Turntrans-92.73.7-179.9-54-55.8141.300114.8H81 F173 F174H81-E83 PolarHBondContact ND1-N 2.95Å; H81-E83 VanDerWaalsContact ND1-N 3.14Å; H81-E83 PolarHBondContact O-N 3.17Å; H81-E83 VanDerWaalsContact O-N 3.14Å; E83-F173 HydrophobicContact CG-CB 4.22Å; E83-F173 WeakPolarHBondContact CG-O 3.23Å; E83-F173 WeakPolarHBondContact OE2-CB 3.38Å; E83-F174 HydrophobicContact CB-CE1 4.13Å; E83-F174 HydrophobicContact CB-CZ 4.04Å
84S98.4Very high98.2Very high1 Ų148.1 Ų48.11%0.00725%0.252CS..SBendtrans-66.6151.4169.472.60000110.2R79 H81 H86 S87 F88R79-S84 PolarHBondContact O-OG 3.02Å; H81-S84 WeakPolarHBondContact O-CB 3.35Å; H81-S84 PolarHBondContact O-N 2.91Å; H81-S84 PolarHBondContact O-OG 3.16Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.05Å; S84-S87 PolarHBondContact O-N 2.7Å; S84-S87 VanDerWaalsContact OG-CB 3.25Å; S84-S87 WeakPolarHBondContact OG-CB 3.31Å; S84-S87 PolarHBondContact OG-N 2.84Å; S84-S87 PolarHBondContact OG-OG 2.86Å; S84-F88 PolarHBondContact O-N 2.68Å
85Y98.5Very high98.2Very high25 Ų2552.6 Ų52.610%0.09827%0.272CS..Hα-helixtrans-72.7-25.6177.4-69.6-4.7000111.8T41 D72 E73 Y74 F88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.02Å; T41-Y85 HydrophobicContact CG2-CD2 3.92Å; T41-Y85 HydrophobicContact CG2-CG 3.64Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.36Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.29Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.36Å; D72-Y85 WeakPolarHBondContact O-CD2 3.32Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.23Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.37Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.39Å; E73-Y85 PolarHBondContact OE1-N 3.4Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.44Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.44Å; E73-Y85 PolarHBondContact OE2-N 2.98Å; Y74-Y85 HydrophobicContact CD2-CE1 4.36Å; Y74-Y85 HydrophobicContact CE2-CD1 4.26Å; Y74-Y85 AromaticContact CE2-CE1 3.69Å; Y74-Y85 HydrophobicContact CE2-CE1 3.69Å; Y74-Y85 AromaticContact CE2-CZ 3.91Å; Y74-Y85 PolarHBondContact OH-OH 3.44Å; Y85-F88 PolarHBondContact O-N 3.26Å; Y85-M89 WeakPolarHBondContact O-CB 3.37Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.23Å; Y85-M89 PolarHBondContact O-N 3.24Å; Y85-F146 AromaticContact CE2-CE2 3.8Å; Y85-F146 HydrophobicContact CE2-CE2 3.8Å; Y85-F146 HydrophobicContact CE2-CZ 4.05Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.17Å
86H98.6Very high98.2Very high37 Ų3754.5 Ų54.517%0.17128%0.279CS..Hα-helixtrans-53.9-55.7162.3-79.8-87.3000112.1E73 R79 S84 F88 M89 W90 L107E73-H86 IonicContact OE2-CD2 2.91Å; E73-H86 PolarHBondContact OE2-CD2 2.93Å; E73-H86 IonicContact OE2-CG 3.54Å; E73-H86 PolarHBondContact OE2-N 2.88Å; R79-H86 HydrophobicContact CG-CB 3.69Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.05Å; H86-F88 PolarHBondContact O-N 2.94Å; H86-M89 PolarHBondContact O-N 3.12Å; H86-W90 WeakPolarHBondContact O-CB 3.26Å; H86-W90 PolarHBondContact O-N 3.49Å; H86-L107 PolarHBondContact NE2-O 3.09Å; H86-L107 VanDerWaalsContact NE2-O 3.08Å
87S98.6Very high98.3Very high14 Ų1452.6 Ų52.610%0.09826%0.256CS..Hα-helixtrans-62.9-41.7178.2-76.50000112.3R79 D80 H81 P82 S84 N91R79-S87 PolarHBondContact O-OG 2.96Å; D80-S87 PolarHBondContact O-OG 2.96Å; H81-S87 WeakPolarHBondContact O-CB 3.31Å; H81-S87 PolarHBondContact O-OG 2.75Å; P82-S87 WeakPolarHBondContact O-CB 3.24Å; S84-S87 PolarHBondContact O-N 2.7Å; S84-S87 VanDerWaalsContact OG-CB 3.25Å; S84-S87 WeakPolarHBondContact OG-CB 3.31Å; S84-S87 PolarHBondContact OG-N 2.84Å; S84-S87 PolarHBondContact OG-OG 2.86Å; S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 PolarHBondContact O-N 2.8Å; S87-N91 PolarHBondContact O-ND2 3.38Å
88F98.8Very high98.3Very high33 Ų3353.9 Ų53.915%0.14526%0.262CS..Hα-helixtrans-58.2-53.1177.8178.8-84.2000110.8T41 G42 L46 Y49 S84 Y85 H86 N91 N92T41-F88 HydrophobicContact CG2-CD1 3.64Å; T41-F88 HydrophobicContact CG2-CE1 4.15Å; T41-F88 HydrophobicContact CG2-CG 4.26Å; G42-F88 WeakPolarHBondContact O-CZ 3.45Å; L46-F88 HydrophobicContact CD1-CZ 4.41Å; Y49-F88 HydrophobicContact CD2-CE1 4.36Å; Y49-F88 AromaticContact CE2-CE1 3.98Å; Y49-F88 HydrophobicContact CE2-CE1 3.98Å; S84-F88 PolarHBondContact O-N 2.68Å; Y85-F88 PolarHBondContact O-N 3.26Å; H86-F88 PolarHBondContact O-N 2.94Å; F88-N91 PolarHBondContact O-N 2.56Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.48Å; F88-N92 HydrophobicContact CE1-CB 4.49Å; F88-N92 VanDerWaalsContact O-CB 3.24Å; F88-N92 WeakPolarHBondContact O-CB 3.48Å; F88-N92 PolarHBondContact O-N 3.36Å; F88-N92 PolarHBondContact O-ND2 3.16Å
89M98.8Very high98.4Very high0 Ų051.5 Ų51.50%025%0.246CC..Hα-helixtrans-67.1-41.4-176-70.5-55.9-64.600111.9L39 T41 Y49 N70 Y85 H86 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.14Å; L39-M89 HydrophobicContact CD1-CE 3.64Å; T41-M89 HydrophobicContact CG2-CG 4.11Å; T41-M89 HydrophobicContact CG2-SD 3.94Å; Y49-M89 HydrophobicContact CE1-CE 4.33Å; Y49-M89 HydrophobicContact CE2-SD 4.33Å; N70-M89 WeakPolarHBondContact ND2-CG 3.46Å; N70-M89 PolarHBondContact ND2-SD 3.06Å; Y85-M89 WeakPolarHBondContact O-CB 3.37Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.23Å; Y85-M89 PolarHBondContact O-N 3.24Å; H86-M89 PolarHBondContact O-N 3.12Å; M89-F93 HydrophobicContact CE-CD1 4.07Å; M89-F93 CarbonylContact O-C 3.59Å; M89-F93 WeakPolarHBondContact O-CA 3.5Å; M89-F93 PolarHBondContact O-N 3.22Å; M89-F94 HydrophobicContact CB-CD2 3.84Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 3.91Å; M89-F94 HydrophobicContact CE-CD1 4.36Å; M89-F94 HydrophobicContact CE-CE1 3.5Å; M89-F94 HydrophobicContact CE-CE2 4.19Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.27Å; M89-F94 HydrophobicContact CG-CZ 4.31Å; M89-F94 PolarHBondContact O-N 3.45Å; M89-I106 HydrophobicContact CB-CD1 3.89Å; M89-I106 HydrophobicContact CG-CD1 3.96Å
90W98.8Very high98.4Very high134 Ų13448.7 Ų48.751%0.50824%0.238SC..Hα-helixtrans-60-51175.4-178.6-109.9000111.6H86 F94 K95H86-W90 WeakPolarHBondContact O-CB 3.26Å; H86-W90 PolarHBondContact O-N 3.49Å; W90-F94 HydrophobicContact CE3-CB 4.08Å; W90-K95 HydrophobicContact CD2-CB 4.04Å; W90-K95 HydrophobicContact CE3-CB 4.38Å; W90-K95 HydrophobicContact CH2-CB 4.22Å; W90-K95 HydrophobicContact CZ2-CB 3.86Å; W90-K95 HydrophobicContact CZ3-CB 4.46Å; W90-K95 WeakPolarHBondContact O-CB 3.49Å; W90-K95 WeakPolarHBondContact O-CD 3.36Å; W90-K95 WeakPolarHBondContact O-CG 3.26Å; W90-K95 PolarHBondContact O-N 2.81Å
91N98.7Very high98.5Very high63 Ų6346.4 Ų46.434%0.33723%0.23SC..Hα-helixtrans-76.1-32.3-172.2-72.9-50.5000114.1S87 F88 K95 H96S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 PolarHBondContact O-N 2.8Å; S87-N91 PolarHBondContact O-ND2 3.38Å; F88-N91 PolarHBondContact O-N 2.56Å; N91-K95 WeakPolarHBondContact O-CE 3.45Å; N91-K95 PolarHBondContact OD1-NZ 3.27Å; N91-H96 PolarHBondContact O-CD2 3.2Å; N91-H96 PolarHBondContact O-NE2 2.93Å
92N98.8Very high98.5Very high54 Ų5449.2 Ų49.229%0.28924%0.244SC..Hα-helixtrans-100.7-12.4-174.5-63.2-68000113.7L46 I53 F88L46-N92 HydrophobicContact CD1-CB 3.82Å; I53-N92 WeakPolarHBondContact CD1-O 3.28Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.48Å; F88-N92 HydrophobicContact CE1-CB 4.49Å; F88-N92 VanDerWaalsContact O-CB 3.24Å; F88-N92 WeakPolarHBondContact O-CB 3.48Å; F88-N92 PolarHBondContact O-N 3.36Å; F88-N92 PolarHBondContact O-ND2 3.16Å
93F98.9Very high98.6Very high0 Ų045.4 Ų45.40%022%0.219CC..THydrogen-bonded Turntrans-142.6-67.9-178.3-167.8-137.2000114.2L39 Y49 L52 I53 F63 M89 K95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.15Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; Y49-F93 HydrophobicContact CD1-CB 3.97Å; Y49-F93 AromaticContact CD1-CD1 3.72Å; Y49-F93 HydrophobicContact CD1-CD1 3.72Å; Y49-F93 AromaticContact CD1-CD2 3.6Å; Y49-F93 HydrophobicContact CD1-CD2 3.6Å; Y49-F93 HydrophobicContact CD1-CE1 4.06Å; Y49-F93 AromaticContact CD1-CE2 3.95Å; Y49-F93 HydrophobicContact CD1-CE2 3.95Å; Y49-F93 AromaticContact CD1-CG 3.49Å; Y49-F93 HydrophobicContact CD1-CG 3.49Å; Y49-F93 VanDerWaalsContact CD1-CG 3.49Å; Y49-F93 HydrophobicContact CD1-CZ 4.16Å; Y49-F93 HydrophobicContact CE1-CB 4.4Å; Y49-F93 AromaticContact CE1-CD1 3.68Å; Y49-F93 HydrophobicContact CE1-CD1 3.68Å; Y49-F93 HydrophobicContact CE1-CD2 4.4Å; Y49-F93 AromaticContact CE1-CE1 3.97Å; Y49-F93 HydrophobicContact CE1-CE1 3.97Å; Y49-F93 AromaticContact CE1-CG 3.93Å; Y49-F93 HydrophobicContact CE1-CG 3.93Å; Y49-F93 HydrophobicContact CE1-CZ 4.45Å; Y49-F93 HydrophobicContact CG-CB 4.14Å; Y49-F93 HydrophobicContact CG-CD2 4.19Å; Y49-F93 HydrophobicContact CG-CG 4.12Å; L52-F93 HydrophobicContact CB-CE2 3.85Å; L52-F93 HydrophobicContact CB-CZ 4.41Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.05Å; I53-F93 HydrophobicContact CD1-CD2 4.34Å; I53-F93 HydrophobicContact CG1-CD2 4.04Å; I53-F93 HydrophobicContact CG1-CE2 4.45Å; F63-F93 HydrophobicContact CD1-CZ 4.37Å; F63-F93 AromaticContact CE1-CZ 3.75Å; F63-F93 HydrophobicContact CE1-CZ 3.75Å; F63-F93 HydrophobicContact CE2-CZ 4.38Å; 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-CD1 4.07Å; M89-F93 CarbonylContact O-C 3.59Å; M89-F93 WeakPolarHBondContact O-CA 3.5Å; M89-F93 PolarHBondContact O-N 3.22Å; F93-K95 PolarHBondContact O-N 2.84Å; F93-H96 WeakPolarHBondContact O-CB 3.45Å; F93-H96 PolarHBondContact O-N 3.39Å; F93-I97 HydrophobicContact CD1-CD1 4.16Å; F93-I97 HydrophobicContact CD2-CD1 4.2Å; F93-I97 HydrophobicContact CD2-CG2 4.38Å; F93-I97 HydrophobicContact CE1-CD1 3.77Å; F93-I97 HydrophobicContact CE2-CD1 3.81Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CG-CD1 4.36Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å
94F98.8Very high98.7Very high12 Ų1244 Ų445%0.05321%0.214CC..G310 helixtrans-61.3-40.8-163-59.9-27.8000114.2L39 T68 M89 W90 H96 I97 I99 T104 I106L39-F94 HydrophobicContact CD1-CE1 4.16Å; T68-F94 HydrophobicContact CG2-CE1 4.24Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.49Å; M89-F94 HydrophobicContact CB-CD2 3.84Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 3.91Å; M89-F94 HydrophobicContact CE-CD1 4.36Å; M89-F94 HydrophobicContact CE-CE1 3.5Å; M89-F94 HydrophobicContact CE-CE2 4.19Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.27Å; M89-F94 HydrophobicContact CG-CZ 4.31Å; M89-F94 PolarHBondContact O-N 3.45Å; W90-F94 HydrophobicContact CE3-CB 4.08Å; F94-H96 PolarHBondContact O-N 3.05Å; F94-H96 VanDerWaalsContact O-N 3.08Å; F94-I97 WeakPolarHBondContact O-CG1 3.37Å; F94-I97 PolarHBondContact O-N 3.33Å; F94-I99 HydrophobicContact CB-CG2 4.27Å; F94-I99 HydrophobicContact CD1-CG2 4.21Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; F94-T104 HydrophobicContact CD1-CG2 4.21Å; F94-T104 HydrophobicContact CD2-CG2 4.09Å; F94-T104 HydrophobicContact CE1-CG2 4.18Å; F94-T104 HydrophobicContact CE2-CG2 4.03Å; F94-T104 HydrophobicContact CG-CG2 4.19Å; F94-T104 HydrophobicContact CZ-CG2 4.1Å; F94-I106 HydrophobicContact CE2-CD1 4.06Å
95K98.6Very high98.7Very high98 Ų9846.7 Ų46.743%0.42623%0.225SC..G310 helixtrans-68.9-8-179.980.6-172.5-179.4-176.80114.6W90 N91 F93W90-K95 HydrophobicContact CD2-CB 4.04Å; W90-K95 HydrophobicContact CE3-CB 4.38Å; W90-K95 HydrophobicContact CH2-CB 4.22Å; W90-K95 HydrophobicContact CZ2-CB 3.86Å; W90-K95 HydrophobicContact CZ3-CB 4.46Å; W90-K95 WeakPolarHBondContact O-CB 3.49Å; W90-K95 WeakPolarHBondContact O-CD 3.36Å; W90-K95 WeakPolarHBondContact O-CG 3.26Å; W90-K95 PolarHBondContact O-N 2.81Å; N91-K95 WeakPolarHBondContact O-CE 3.45Å; N91-K95 PolarHBondContact OD1-NZ 3.27Å; F93-K95 PolarHBondContact O-N 2.84Å
96H98.8Very high98.7Very high64 Ų6446.5 Ų46.530%0.29623%0.225SC..G310 helixtrans-106.5-0-175.8-57.2-77.3000113.7I53 Y56 N91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.76Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.91Å; Y56-H96 WeakPolarHBondContact CD1-O 3.5Å; Y56-H96 WeakPolarHBondContact CE1-O 3.26Å; N91-H96 PolarHBondContact O-CD2 3.2Å; N91-H96 PolarHBondContact O-NE2 2.93Å; F93-H96 WeakPolarHBondContact O-CB 3.45Å; F93-H96 PolarHBondContact O-N 3.39Å; F94-H96 PolarHBondContact O-N 3.05Å; F94-H96 VanDerWaalsContact O-N 3.08Å
97I98.9Very high98.7Very high15 Ų1544.7 Ų44.78%0.07722%0.217CC..SBendtrans-129.2170.8-176.560.9172.3000111I53 Y56 F63 F93 F94 I99I53-I97 HydrophobicContact CG1-CG2 4.08Å; Y56-I97 HydrophobicContact CD1-CB 4.25Å; Y56-I97 HydrophobicContact CD1-CG2 4.02Å; Y56-I97 HydrophobicContact CG-CB 4.29Å; Y56-I97 HydrophobicContact CG-CG2 4.08Å; F63-I97 HydrophobicContact CB-CD1 4.07Å; F63-I97 HydrophobicContact CD1-CD1 4.17Å; F63-I97 HydrophobicContact CD2-CB 3.91Å; F63-I97 HydrophobicContact CD2-CD1 3.86Å; F63-I97 HydrophobicContact CD2-CG1 4.44Å; F63-I97 HydrophobicContact CD2-CG2 4.05Å; F63-I97 HydrophobicContact CE2-CB 4.44Å; F63-I97 HydrophobicContact CE2-CD1 4.34Å; F63-I97 HydrophobicContact CE2-CG2 4.06Å; F63-I97 HydrophobicContact CG-CD1 3.77Å; F93-I97 HydrophobicContact CD1-CD1 4.16Å; F93-I97 HydrophobicContact CD2-CD1 4.2Å; F93-I97 HydrophobicContact CD2-CG2 4.38Å; F93-I97 HydrophobicContact CE1-CD1 3.77Å; F93-I97 HydrophobicContact CE2-CD1 3.81Å; F93-I97 HydrophobicContact CE2-CG2 4.05Å; F93-I97 HydrophobicContact CG-CD1 4.36Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å; F94-I97 WeakPolarHBondContact O-CG1 3.37Å; F94-I97 PolarHBondContact O-N 3.33Å; I97-I99 VanDerWaalsContact C-N 3.28Å; I97-I99 HydrophobicContact CD1-CB 3.84Å; I97-I99 HydrophobicContact CD1-CG2 3.7Å; I97-I99 HydrophobicContact CG1-CB 4.1Å; I97-I99 HydrophobicContact CG1-CG2 3.76Å; I97-I99 PolarHBondContact O-N 2.8Å
98D98.8Very high98.7Very high44 Ų4446 Ų4624%0.23522%0.223CC..  trans-88.821.8179.465.3-26.8000114Y56 S62 F63Y56-D98 HydrophobicContact CD2-CB 4.45Å; Y56-D98 HydrophobicContact CE2-CB 3.51Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.36Å; S62-D98 WeakPolarHBondContact CB-OD2 3.35Å; S62-D98 PolarHBondContact OG-OD2 3.35Å; F63-D98 PolarHBondContact N-OD1 2.94Å
99I98.8Very high98.7Very high14 Ų1444.5 Ų44.57%0.07222%0.217CC..  trans-68.1138.1174.6-161.5163.2000109.9F63 V66 T68 F94 I97 T104F63-I99 HydrophobicContact CB-CB 3.87Å; F63-I99 HydrophobicContact CB-CG1 4.36Å; V66-I99 HydrophobicContact CB-CD1 4.41Å; V66-I99 HydrophobicContact CG1-CD1 4.33Å; T68-I99 HydrophobicContact CG2-CD1 3.55Å; F94-I99 HydrophobicContact CB-CG2 4.27Å; F94-I99 HydrophobicContact CD1-CG2 4.21Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; I97-I99 VanDerWaalsContact C-N 3.28Å; I97-I99 HydrophobicContact CD1-CB 3.84Å; I97-I99 HydrophobicContact CD1-CG2 3.7Å; I97-I99 HydrophobicContact CG1-CB 4.1Å; I97-I99 HydrophobicContact CG1-CG2 3.76Å; I97-I99 PolarHBondContact O-N 2.8Å; I99-T104 HydrophobicContact CD1-CG2 3.77Å; I99-T104 HydrophobicContact CG1-CG2 3.99Å; I99-T104 HydrophobicContact CG2-CG2 3.88Å
100H98.7Very high98.7Very high63 Ų6348 Ų4829%0.29224%0.236SC..  trans-75.2131175.5-76.6-150.9000110.7E102 N103H100-E102 VanDerWaalsContact C-N 3.27Å; H100-E102 HydrophobicContact CB-CG 4.46Å; H100-E102 WeakPolarHBondContact CB-OE1 3.41Å; H100-E102 IonicContact CG-OE1 2.86Å; H100-E102 IonicContact ND1-OE1 2.66Å; H100-E102 PolarHBondContact ND1-OE1 3.42Å; H100-E102 PolarHBondContact O-N 2.92Å; H100-N103 HydrophobicContact CB-CB 4.28Å; H100-N103 WeakPolarHBondContact O-CB 3.43Å; H100-N103 PolarHBondContact O-N 3.44Å
101P98.4Very high98.7Very high88 Ų8842.8 Ų42.857%0.57122%0.221SC*.G310 helixtrans-55.7-37.7-178.7-27.335.5000114.1N103 T104P101-N103 PolarHBondContact O-N 2.98Å; P101-N103 VanDerWaalsContact O-N 3.17Å; P101-T104 PolarHBondContact O-N 3Å; P101-T104 PolarHBondContact O-OG1 3.43Å
102E98.4Very high98.7Very high120 Ų12047.3 Ų47.356%0.56125%0.25SS*.G310 helixtrans-66.4-14177.868.8-85.1-168.100114.2H100 Y105H100-E102 VanDerWaalsContact C-N 3.27Å; H100-E102 HydrophobicContact CB-CG 4.46Å; H100-E102 WeakPolarHBondContact CB-OE1 3.41Å; H100-E102 IonicContact CG-OE1 2.86Å; H100-E102 IonicContact ND1-OE1 2.66Å; H100-E102 PolarHBondContact ND1-OE1 3.42Å; H100-E102 PolarHBondContact O-N 2.92Å; E102-Y105 PolarHBondContact O-OH 2.87Å
103N98.8Very high98.7Very high9 Ų949.4 Ų49.45%0.04826%0.262CS..G310 helixtrans-99.16.9176-70.3-37.1000112.6Y34 V66 K67 T68 H100 P101Y34-N103 WeakPolarHBondContact CE1-ND2 3.36Å; V66-N103 WeakPolarHBondContact O-CB 3.41Å; K67-N103 CarbonylContact C-O 3.55Å; K67-N103 VanDerWaalsContact CA-O 3.27Å; K67-N103 WeakPolarHBondContact CA-O 3.44Å; K67-N103 VanDerWaalsContact CE-OD1 3.26Å; K67-N103 WeakPolarHBondContact CE-OD1 3.3Å; K67-N103 HydrophobicContact CG-CB 3.84Å; T68-N103 PolarHBondContact N-O 3.48Å; H100-N103 HydrophobicContact CB-CB 4.28Å; H100-N103 WeakPolarHBondContact O-CB 3.43Å; H100-N103 PolarHBondContact O-N 3.44Å; P101-N103 PolarHBondContact O-N 2.98Å; P101-N103 VanDerWaalsContact O-N 3.17Å
104T98.8Very high98.6Very high36 Ų3651.1 Ų51.122%0.22127%0.271CS..EExtended strand (participates in β ladder)trans-107.3117.9175.764.80000110.8T68 F94 I99 P101T68-T104 WeakPolarHBondContact OG1-CA 3.22Å; F94-T104 HydrophobicContact CD1-CG2 4.21Å; F94-T104 HydrophobicContact CD2-CG2 4.09Å; F94-T104 HydrophobicContact CE1-CG2 4.18Å; F94-T104 HydrophobicContact CE2-CG2 4.03Å; F94-T104 HydrophobicContact CG-CG2 4.19Å; F94-T104 HydrophobicContact CZ-CG2 4.1Å; I99-T104 HydrophobicContact CD1-CG2 3.77Å; I99-T104 HydrophobicContact CG1-CG2 3.99Å; I99-T104 HydrophobicContact CG2-CG2 3.88Å; P101-T104 PolarHBondContact O-N 3Å; P101-T104 PolarHBondContact O-OG1 3.43Å
105Y98.9Very high98.6Very high57 Ų5754.4 Ų54.422%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-117.1119.4-176.2-52.9-75.4000110.5K67 T68 F69 N70 E102 K124K67-Y105 HydrophobicContact CB-CE2 4.34Å; K67-Y105 HydrophobicContact CD-CE2 4.38Å; K67-Y105 HydrophobicContact CG-CE2 4.36Å; T68-Y105 WeakPolarHBondContact O-CB 3.44Å; T68-Y105 VanDerWaalsContact O-CD2 3.28Å; T68-Y105 WeakPolarHBondContact O-CD2 3.24Å; T68-Y105 PolarHBondContact O-N 3.36Å; F69-Y105 WeakPolarHBondContact CA-O 3.38Å; F69-Y105 AromaticContact CD1-CD2 3.83Å; F69-Y105 HydrophobicContact CD1-CD2 3.83Å; F69-Y105 HydrophobicContact CD1-CG 4.05Å; F69-Y105 HydrophobicContact CD2-CD2 4.3Å; F69-Y105 AromaticContact CE1-CD2 3.35Å; F69-Y105 HydrophobicContact CE1-CD2 3.35Å; F69-Y105 HydrophobicContact CE1-CE2 4.04Å; F69-Y105 AromaticContact CE1-CG 3.73Å; F69-Y105 HydrophobicContact CE1-CG 3.73Å; F69-Y105 AromaticContact CE2-CD2 3.87Å; F69-Y105 HydrophobicContact CE2-CD2 3.87Å; F69-Y105 HydrophobicContact CE2-CE2 4.22Å; F69-Y105 HydrophobicContact CG-CD2 4.28Å; F69-Y105 AromaticContact CZ-CD2 3.37Å; F69-Y105 HydrophobicContact CZ-CD2 3.37Å; F69-Y105 AromaticContact CZ-CE2 3.67Å; F69-Y105 HydrophobicContact CZ-CE2 3.67Å; F69-Y105 HydrophobicContact CZ-CG 4.22Å; N70-Y105 PolarHBondContact N-O 2.97Å; E102-Y105 PolarHBondContact O-OH 2.87Å; Y105-K124 HydrophobicContact CD1-CD 4.09Å
106I98.9Very high98.6Very high21 Ų2152 Ų5211%0.10828%0.284CS..  trans-129.4139.2172.2-52.1-178.4000106.7N70 E73 M89 F94N70-I106 HydrophobicContact CB-CB 4.34Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.19Å; E73-I106 HydrophobicContact CB-CG2 4.22Å; M89-I106 HydrophobicContact CB-CD1 3.89Å; M89-I106 HydrophobicContact CG-CD1 3.96Å; F94-I106 HydrophobicContact CE2-CD1 4.06Å
107L98.8Very high98.6Very high0 Ų050.3 Ų50.30%028%0.277CS..  trans-54.9141.9175.8-77.5156.2000111.2E73 H86 G109 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.13Å; E73-L107 WeakPolarHBondContact CB-O 3.49Å; H86-L107 PolarHBondContact NE2-O 3.09Å; H86-L107 VanDerWaalsContact NE2-O 3.08Å; L107-G109 PolarHBondContact O-N 2.9Å; L107-E117 HydrophobicContact CD2-CG 4.24Å; L107-F121 HydrophobicContact CD2-CB 3.65Å; L107-F121 HydrophobicContact CD2-CD1 4.25Å; L107-F121 HydrophobicContact CD2-CD2 3.83Å; L107-F121 HydrophobicContact CD2-CG 3.66Å; L107-F121 HydrophobicContact CG-CD1 4.31Å; L107-F121 HydrophobicContact CG-CD2 3.86Å; L107-F121 HydrophobicContact CG-CE1 4.49Å; L107-F121 HydrophobicContact CG-CE2 4.09Å; L107-F121 HydrophobicContact CG-CG 3.98Å; L107-F121 HydrophobicContact CG-CZ 4.4Å; L107-T157 HydrophobicContact CD1-CG2 4.05Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; L107-L186 HydrophobicContact CB-CB 3.92Å; L107-L186 HydrophobicContact CB-CD1 4.15Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.18Å; L107-L186 HydrophobicContact CD2-CD1 4.25Å; L107-L186 HydrophobicContact CG-CB 4.17Å
108D98.7Very high98.6Very high41 Ų4149.6 Ų49.622%0.21927%0.273CS..  trans-90.591.5174.1-16713000112R79 N110 A111 E117 L186R79-D108 IonicContact CZ-OD1 3.89Å; R79-D108 IonicContact NH2-OD1 3.18Å; R79-D108 PolarHBondContact NH2-OD1 2.99Å; R79-D108 IonicContact NH2-OD2 3.85Å; R79-D108 PolarHBondContact NH2-OD2 3.09Å; D108-N110 PolarHBondContact O-N 3.18Å; D108-N110 PolarHBondContact OD1-N 2.85Å; D108-A111 HydrophobicContact CB-CB 4.35Å; D108-A111 WeakPolarHBondContact O-CB 3.46Å; D108-A111 PolarHBondContact O-N 3.1Å; D108-E117 HydrophobicContact CB-CG 4.09Å; D108-E117 PolarHBondContact N-OE1 3.15Å; D108-L186 WeakPolarHBondContact O-CD1 3.21Å
109G98.5Very high98.6Very high2 Ų251.6 Ų51.62%0.02128%0.284CS..THydrogen-bonded Turntrans-62.5-7.7177.700000115.4Y74 V75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.14Å; V75-G109 CarbonylContact C-O 3.56Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.21Å; G76-G109 PolarHBondContact N-O 2.85Å; L107-G109 PolarHBondContact O-N 2.9Å
110N98.4Very high98.6Very high73 Ų7352.7 Ų52.739%0.3930%0.295SS..THydrogen-bonded Turntrans-108.911.6175.9-60.5-66.3000113.2G76 L77 D108G76-N110 VanDerWaalsContact CA-OD1 3.31Å; G76-N110 WeakPolarHBondContact CA-OD1 3.21Å; L77-N110 PolarHBondContact O-ND2 3.29Å; L77-N110 PolarHBondContact O-OD1 2.9Å; D108-N110 PolarHBondContact O-N 3.18Å; D108-N110 PolarHBondContact OD1-N 2.85Å
111A98.4Very high98.6Very high24 Ų2449.8 Ų49.820%0.19828%0.281CS..  trans-60143.4173.300000111D108 L114 E117D108-A111 HydrophobicContact CB-CB 4.35Å; D108-A111 WeakPolarHBondContact O-CB 3.46Å; D108-A111 PolarHBondContact O-N 3.1Å; A111-L114 HydrophobicContact CB-CD2 4.37Å; A111-L114 WeakPolarHBondContact O-CD2 3.07Å; A111-E117 HydrophobicContact CB-CB 3.76Å; A111-E117 HydrophobicContact CB-CG 4.19Å
112V97.9Very high98.7Very high158 Ų15846.6 Ų46.696%0.95826%0.259SS*.SBendtrans-67.6-44.6177.8178.30000110.7
113D98.5Very high98.7Very high99 Ų9945.9 Ų45.953%0.52926%0.256SS..SBendtrans-10597.2172.1-170.9-26000109.2Q115 A116 E117D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 2.78Å; D113-Q115 PolarHBondContact OD1-N 2.8Å; D113-Q115 VanDerWaalsContact OD1-N 3.15Å; D113-A116 HydrophobicContact CB-CB 3.86Å; D113-A116 VanDerWaalsContact CG-CB 3.47Å; D113-A116 PolarHBondContact O-N 3.23Å; D113-A116 PolarHBondContact OD1-N 2.81Å; D113-E117 PolarHBondContact O-N 3.34Å; D113-E117 VanDerWaalsContact O-N 3.12Å
114L98.5Very high98.7Very high36 Ų3649.1 Ų49.119%0.18827%0.269CS..Hα-helixtrans-65.8-33.1-176.5-64.1179.5000112.8V75 A111 C118 V159 L186V75-L114 HydrophobicContact CG1-CD1 3.76Å; V75-L114 HydrophobicContact CG1-CD2 4.32Å; V75-L114 HydrophobicContact CG2-CD1 4.15Å; V75-L114 HydrophobicContact CG2-CD2 4.46Å; A111-L114 HydrophobicContact CB-CD2 4.37Å; A111-L114 WeakPolarHBondContact O-CD2 3.07Å; L114-C118 PolarHBondContact O-N 3.29Å; L114-C118 VanDerWaalsContact O-N 3.13Å; L114-C118 PolarHBondContact O-SG 2.79Å; L114-V159 HydrophobicContact CB-CG2 3.61Å; L114-V159 HydrophobicContact CD1-CG2 3.96Å; L114-V159 HydrophobicContact CG-CG2 4.45Å; L114-L186 HydrophobicContact CB-CD2 3.96Å; L114-L186 HydrophobicContact CD1-CD2 4.47Å; L114-L186 HydrophobicContact CD2-CD1 4.29Å; L114-L186 HydrophobicContact CD2-CD2 4.14Å; L114-L186 HydrophobicContact CG-CD2 4.41Å
115Q98.6Very high98.7Very high80 Ų8048 Ų4837%0.37426%0.262SS..Hα-helixtrans-75.5-39.8179.5-173.359.353.500110.4D113 E117 C118 D119D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 2.78Å; D113-Q115 PolarHBondContact OD1-N 2.8Å; D113-Q115 VanDerWaalsContact OD1-N 3.15Å; Q115-E117 VanDerWaalsContact C-N 3.29Å; Q115-E117 PolarHBondContact O-N 3.46Å; Q115-C118 WeakPolarHBondContact O-CB 3.37Å; Q115-C118 PolarHBondContact O-N 3.04Å; Q115-C118 VanDerWaalsContact O-N 3.09Å; Q115-D119 PolarHBondContact NE2-OD1 3.3Å; Q115-D119 VanDerWaalsContact O-CG 3.27Å; Q115-D119 PolarHBondContact O-N 2.87Å
116A98.8Very high98.7Very high47 Ų4751.7 Ų51.739%0.38828%0.279SS..Hα-helixtrans-60.8-37.8173.800000112.3D113 D119 A120D113-A116 HydrophobicContact CB-CB 3.86Å; D113-A116 VanDerWaalsContact CG-CB 3.47Å; D113-A116 PolarHBondContact O-N 3.23Å; D113-A116 PolarHBondContact OD1-N 2.81Å; A116-D119 PolarHBondContact O-N 3.34Å; A116-A120 VanDerWaalsContact O-CB 3.26Å; A116-A120 WeakPolarHBondContact O-CB 3.19Å; A116-A120 PolarHBondContact O-N 3.16Å
117E98.8Very high98.7Very high29 Ų2954.9 Ų54.914%0.13631%0.309CS..Hα-helixtrans-63.1-41.9171.9171.256.1-164.500111.9L107 D108 A111 D113 Q115 A120 F121 K124 L186L107-E117 HydrophobicContact CD2-CG 4.24Å; D108-E117 HydrophobicContact CB-CG 4.09Å; D108-E117 PolarHBondContact N-OE1 3.15Å; A111-E117 HydrophobicContact CB-CB 3.76Å; A111-E117 HydrophobicContact CB-CG 4.19Å; D113-E117 PolarHBondContact O-N 3.34Å; D113-E117 VanDerWaalsContact O-N 3.12Å; Q115-E117 VanDerWaalsContact C-N 3.29Å; Q115-E117 PolarHBondContact O-N 3.46Å; E117-A120 PolarHBondContact O-N 3.38Å; E117-F121 WeakPolarHBondContact O-CB 3.3Å; E117-F121 PolarHBondContact O-N 3.21Å; E117-K124 IonicContact OE1-NZ 3.41Å; E117-K124 IonicContact OE2-NZ 3.43Å; E117-L186 HydrophobicContact CB-CD1 4.5Å; E117-L186 HydrophobicContact CG-CD1 3.91Å
118C98.8Very high98.7Very high0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-61.8-46176-68.80000112.1L114 Q115 A120 F121 E122 T157 R158L114-C118 PolarHBondContact O-N 3.29Å; L114-C118 VanDerWaalsContact O-N 3.13Å; L114-C118 PolarHBondContact O-SG 2.79Å; Q115-C118 WeakPolarHBondContact O-CB 3.37Å; Q115-C118 PolarHBondContact O-N 3.04Å; Q115-C118 VanDerWaalsContact O-N 3.09Å; C118-A120 VanDerWaalsContact C-N 3.34Å; C118-F121 WeakPolarHBondContact O-CB 3.44Å; C118-F121 PolarHBondContact O-N 3.01Å; C118-E122 PolarHBondContact O-N 3.44Å; C118-E122 VanDerWaalsContact O-N 3.16Å; C118-T157 HydrophobicContact CB-CG2 3.79Å; C118-T157 WeakPolarHBondContact CB-O 3.15Å; C118-R158 VanDerWaalsContact SG-C 3.6Å; C118-R158 VanDerWaalsContact SG-CA 3.5Å
119D98.8Very high98.6Very high87 Ų8756.1 Ų56.147%0.46533%0.328SS..Hα-helixtrans-65.4-40179-63-16.2000110.9Q115 A116 F121 E122 E123Q115-D119 PolarHBondContact NE2-OD1 3.3Å; Q115-D119 VanDerWaalsContact O-CG 3.27Å; Q115-D119 PolarHBondContact O-N 2.87Å; A116-D119 PolarHBondContact O-N 3.34Å; D119-F121 VanDerWaalsContact C-N 3.27Å; D119-F121 PolarHBondContact O-N 3.05Å; D119-E122 WeakPolarHBondContact O-CB 3.43Å; D119-E122 PolarHBondContact O-N 3.42Å; D119-E123 PolarHBondContact O-N 3.33Å
120A98.8Very high98.7Very high37 Ų3756.9 Ų56.931%0.30634%0.337SS..Hα-helixtrans-63.5-34.2174.300000112A116 E117 C118 E123 K124A116-A120 VanDerWaalsContact O-CB 3.26Å; A116-A120 WeakPolarHBondContact O-CB 3.19Å; A116-A120 PolarHBondContact O-N 3.16Å; E117-A120 PolarHBondContact O-N 3.38Å; C118-A120 VanDerWaalsContact C-N 3.34Å; A120-E123 PolarHBondContact O-N 3.12Å; A120-K124 VanDerWaalsContact O-CG 3.25Å; A120-K124 WeakPolarHBondContact O-CG 3.46Å; A120-K124 PolarHBondContact O-N 2.99Å
121F98.9Very high98.7Very high1 Ų153.6 Ų53.60%0.00432%0.319CS..Hα-helixtrans-65.2-42175.2-160.8-98.3000112F69 N70 L107 E117 C118 D119 K124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.39Å; F69-F121 HydrophobicContact CB-CZ 4.08Å; F69-F121 HydrophobicContact CD1-CE1 4.21Å; F69-F121 HydrophobicContact CD1-CE2 4.38Å; F69-F121 AromaticContact CD1-CZ 3.91Å; F69-F121 HydrophobicContact CD1-CZ 3.91Å; N70-F121 WeakPolarHBondContact O-CZ 3.3Å; L107-F121 HydrophobicContact CD2-CB 3.65Å; L107-F121 HydrophobicContact CD2-CD1 4.25Å; L107-F121 HydrophobicContact CD2-CD2 3.83Å; L107-F121 HydrophobicContact CD2-CG 3.66Å; L107-F121 HydrophobicContact CG-CD1 4.31Å; L107-F121 HydrophobicContact CG-CD2 3.86Å; L107-F121 HydrophobicContact CG-CE1 4.49Å; L107-F121 HydrophobicContact CG-CE2 4.09Å; L107-F121 HydrophobicContact CG-CG 3.98Å; L107-F121 HydrophobicContact CG-CZ 4.4Å; E117-F121 WeakPolarHBondContact O-CB 3.3Å; E117-F121 PolarHBondContact O-N 3.21Å; C118-F121 WeakPolarHBondContact O-CB 3.44Å; C118-F121 PolarHBondContact O-N 3.01Å; D119-F121 VanDerWaalsContact C-N 3.27Å; D119-F121 PolarHBondContact O-N 3.05Å; F121-K124 WeakPolarHBondContact O-CB 3.44Å; F121-K124 PolarHBondContact O-N 2.8Å; F121-I125 HydrophobicContact CD1-CD1 3.85Å; F121-I125 HydrophobicContact CD1-CG1 4.41Å; F121-I125 HydrophobicContact CE1-CD1 3.84Å; F121-I125 HydrophobicContact CE1-CG1 4.39Å; F121-I125 WeakPolarHBondContact O-CG1 3.42Å; F121-I125 PolarHBondContact O-N 3.22Å; F121-T157 HydrophobicContact CB-CG2 4.39Å; F121-T157 HydrophobicContact CD1-CG2 4.35Å; F121-V188 HydrophobicContact CD1-CG1 4.23Å; F121-V188 HydrophobicContact CE1-CG1 3.81Å
122E98.9Very high98.7Very high22 Ų2253.5 Ų53.510%0.10331%0.314CS..Hα-helixtrans-61.7-43.7174.2-66.8-73.7-166.500112.2C118 D119 K124 I125 K126 R156 T157 T192C118-E122 PolarHBondContact O-N 3.44Å; C118-E122 VanDerWaalsContact O-N 3.16Å; D119-E122 WeakPolarHBondContact O-CB 3.43Å; D119-E122 PolarHBondContact O-N 3.42Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.05Å; E122-I125 PolarHBondContact O-N 3.47Å; E122-K126 WeakPolarHBondContact O-CB 3.15Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-R156 WeakPolarHBondContact OE1-CB 3.47Å; E122-R156 IonicContact OE1-CZ 3.45Å; E122-R156 IonicContact OE1-NE 2.65Å; E122-R156 PolarHBondContact OE1-NE 3.45Å; E122-R156 IonicContact OE1-NH2 3.29Å; E122-R156 PolarHBondContact OE1-NH2 3.31Å; E122-R156 IonicContact OE2-CZ 2.62Å; E122-R156 IonicContact OE2-NE 3.02Å; E122-R156 IonicContact OE2-NH2 3.92Å; E122-R156 PolarHBondContact OE2-NH2 3.13Å; E122-T157 WeakPolarHBondContact OE1-CB 3.44Å; E122-T157 PolarHBondContact OE1-N 2.89Å; E122-T157 PolarHBondContact OE1-OG1 3.09Å; E122-T192 PolarHBondContact OE1-OG1 3.04Å; E122-T192 VanDerWaalsContact OE1-OG1 3.05Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.44Å
123E98.9Very high98.8Very high105 Ų10546 Ų4649%0.49127%0.269SS..Hα-helixtrans-66.8-33.5176.4-71.4-61135.600112.1D119 A120 K126 A127D119-E123 PolarHBondContact O-N 3.33Å; A120-E123 PolarHBondContact O-N 3.12Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 IonicContact OE1-NZ 2.97Å; E123-K126 PolarHBondContact OE1-NZ 3.4Å; E123-K126 IonicContact OE2-NZ 2.97Å; E123-K126 PolarHBondContact OE2-NZ 3Å; E123-A127 WeakPolarHBondContact O-CB 3.32Å; E123-A127 PolarHBondContact O-N 3.12Å
124K98.8Very high98.8Very high77 Ų7741.3 Ų41.334%0.33524%0.244SC..Hα-helixtrans-63.1-43171.4-69.7163.6-165.1155.40111.5F69 Y105 E117 A120 F121 E122 A127 A128F69-K124 HydrophobicContact CE1-CB 4.03Å; Y105-K124 HydrophobicContact CD1-CD 4.09Å; E117-K124 IonicContact OE1-NZ 3.41Å; E117-K124 IonicContact OE2-NZ 3.43Å; A120-K124 VanDerWaalsContact O-CG 3.25Å; A120-K124 WeakPolarHBondContact O-CG 3.46Å; A120-K124 PolarHBondContact O-N 2.99Å; F121-K124 WeakPolarHBondContact O-CB 3.44Å; F121-K124 PolarHBondContact O-N 2.8Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.05Å; K124-A127 PolarHBondContact O-N 3.14Å; K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 2.9Å
125I98.9Very high98.8Very high11 Ų1140 Ų406%0.05624%0.237CC..Hα-helixtrans-60.8-48.1175.5-69170.4000110.2F69 F121 E122 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.35Å; F69-I125 HydrophobicContact CD1-CG1 3.46Å; F69-I125 VanDerWaalsContact CD1-CG1 3.46Å; F69-I125 HydrophobicContact CE1-CB 4.38Å; F69-I125 HydrophobicContact CE1-CG1 3.64Å; F69-I125 HydrophobicContact CG-CG1 4.03Å; F69-I125 HydrophobicContact CZ-CG1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 3.85Å; F121-I125 HydrophobicContact CD1-CG1 4.41Å; F121-I125 HydrophobicContact CE1-CD1 3.84Å; F121-I125 HydrophobicContact CE1-CG1 4.39Å; F121-I125 WeakPolarHBondContact O-CG1 3.42Å; F121-I125 PolarHBondContact O-N 3.22Å; E122-I125 PolarHBondContact O-N 3.47Å; I125-A128 PolarHBondContact O-N 3.41Å; I125-G129 PolarHBondContact O-N 2.79Å; I125-G130 PolarHBondContact O-N 2.95Å; I125-I131 HydrophobicContact CG1-CD1 4.35Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.98Å; I125-T192 HydrophobicContact CD1-CG2 3.83Å
126K98.8Very high98.8Very high135 Ų13536.2 Ų36.259%0.58722%0.22SC*.Hα-helixtrans-63.1-43179.3-179.3178.6161.9-152.60112.3E122 E123 A128 G129E122-K126 WeakPolarHBondContact O-CB 3.15Å; E122-K126 PolarHBondContact O-N 3.41Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 IonicContact OE1-NZ 2.97Å; E123-K126 PolarHBondContact OE1-NZ 3.4Å; E123-K126 IonicContact OE2-NZ 2.97Å; E123-K126 PolarHBondContact OE2-NZ 3Å; K126-A128 PolarHBondContact O-N 2.94Å; K126-G129 WeakPolarHBondContact O-CA 3.39Å; K126-G129 PolarHBondContact O-N 2.87Å
127A98.6Very high98.8Very high89 Ų8934.9 Ų34.974%0.73621%0.21SC*.Hα-helixtrans-64.2-29175.700000112.7E123 K124 G129E123-A127 WeakPolarHBondContact O-CB 3.32Å; E123-A127 PolarHBondContact O-N 3.12Å; K124-A127 PolarHBondContact O-N 3.14Å; A127-G129 PolarHBondContact O-N 2.79Å
128A98.6Very high98.7Very high25 Ų2533.8 Ų33.821%0.20721%0.205CC..THydrogen-bonded Turntrans-78.5-2.8171.400000113.6T36 K67 F69 K124 I125 K126T36-A128 HydrophobicContact CG2-CB 3.8Å; K67-A128 HydrophobicContact CD-CB 4.18Å; F69-A128 HydrophobicContact CE2-CB 4Å; F69-A128 HydrophobicContact CZ-CB 3.75Å; K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 2.9Å; I125-A128 PolarHBondContact O-N 3.41Å; K126-A128 PolarHBondContact O-N 2.94Å
129G98.4Very high98.5Very high41 Ų4133.9 Ų33.942%0.42321%0.207SC..THydrogen-bonded Turntrans86.123.5-179.400000114.1I125 K126 A127 R197I125-G129 PolarHBondContact O-N 2.79Å; K126-G129 WeakPolarHBondContact O-CA 3.39Å; K126-G129 PolarHBondContact O-N 2.87Å; A127-G129 PolarHBondContact O-N 2.79Å; G129-R197 PolarHBondContact O-NH1 3.48Å; G129-R197 PolarHBondContact O-NH2 3.07Å
130G98.7Very high98.2Very high19 Ų1932.4 Ų32.420%0.19620%0.202CC..SBendtrans79.8-177.5-175.200000113T36 I125T36-G130 WeakPolarHBondContact CB-O 3.44Å; T36-G130 WeakPolarHBondContact CG2-O 3.47Å; T36-G130 PolarHBondContact OG1-O 3.11Å; I125-G130 PolarHBondContact O-N 2.95Å
131I98.9Very high98Very high3 Ų331.1 Ų31.12%0.01519%0.19CC..  trans-97.2135.1-177.3-55.4-58.7000110.9F69 I125 L133 F134 A196 R197F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.45Å; F69-I131 VanDerWaalsContact CD2-CD1 3.45Å; F69-I131 HydrophobicContact CE2-CD1 4.04Å; F69-I131 HydrophobicContact CG-CD1 3.87Å; I125-I131 HydrophobicContact CG1-CD1 4.35Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.98Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; I131-F134 HydrophobicContact CB-CD2 4.36Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.29Å; I131-A196 HydrophobicContact CB-CB 3.94Å; I131-A196 HydrophobicContact CG2-CB 4.06Å; I131-R197 VanDerWaalsContact C-NH1 3.28Å; I131-R197 PolarHBondContact O-N 3Å; I131-R197 PolarHBondContact O-NH1 3.4Å
132E98.9Very high98Very high23 Ų2331 Ų3111%0.10719%0.19CC..SBendtrans-86.4-45.6179.617364.7-155.400110.2R23 F27 F35 T36 R197 E198R23-E132 IonicContact CZ-OE1 3.36Å; R23-E132 IonicContact NH1-OE1 2.87Å; R23-E132 IonicContact NH2-OE1 2.97Å; R23-E132 PolarHBondContact NH2-OE1 3.35Å; F27-E132 HydrophobicContact CD2-CG 4.2Å; F27-E132 HydrophobicContact CE2-CG 4.17Å; F35-E132 HydrophobicContact CD2-CB 4.49Å; F35-E132 HydrophobicContact CD2-CG 3.86Å; F35-E132 HydrophobicContact CE2-CB 4.31Å; F35-E132 HydrophobicContact CE2-CG 3.44Å; F35-E132 VanDerWaalsContact CE2-CG 3.44Å; F35-E132 HydrophobicContact CZ-CB 4.38Å; F35-E132 HydrophobicContact CZ-CG 3.82Å; T36-E132 WeakPolarHBondContact O-CB 3.34Å; T36-E132 PolarHBondContact O-N 2.88Å; T36-E132 PolarHBondContact OG1-N 3.24Å; E132-R197 WeakPolarHBondContact OE2-CD 3.15Å; E132-R197 IonicContact OE2-NE 3.64Å; E132-E198 PolarHBondContact O-N 2.7Å
133L98.9Very high97.9Very high0 Ų031.2 Ų31.20%019%0.19CC..EExtended strand (participates in β ladder)trans-137.1122.6174.1174.661.6000108.7I20 F35 T36 L37 G38 I131 V135 E198 M200I20-L133 HydrophobicContact CG1-CD2 3.92Å; F35-L133 HydrophobicContact CE1-CB 4.13Å; F35-L133 HydrophobicContact CZ-CB 3.81Å; F35-L133 HydrophobicContact CZ-CD2 4.39Å; T36-L133 PolarHBondContact O-N 3.02Å; L37-L133 CarbonylContact C-O 3.55Å; L37-L133 WeakPolarHBondContact CA-O 3.29Å; L37-L133 HydrophobicContact CD1-CB 4.17Å; L37-L133 HydrophobicContact CD1-CD2 4.07Å; L37-L133 HydrophobicContact CD1-CG 4.08Å; G38-L133 PolarHBondContact N-O 3.32Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; L133-V135 HydrophobicContact CD2-CG2 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.13Å; L133-E198 CarbonylContact C-O 3.51Å; L133-E198 WeakPolarHBondContact CA-O 3.29Å; L133-E198 HydrophobicContact CD1-CB 4.04Å; L133-E198 HydrophobicContact CD1-CG 3.71Å; L133-M200 HydrophobicContact CD1-CB 4.04Å
134F98.9Very high97.9Very high1 Ų126.2 Ų26.20%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-103.8114.3172.9-150.7-52.9000109.5M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CG-CE1 3.31Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.91Å; I131-F134 HydrophobicContact CB-CD2 4.36Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.29Å; F134-V188 HydrophobicContact CE2-CG2 4.49Å; F134-V188 HydrophobicContact CZ-CG2 4.06Å; F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 4.03Å; F134-V193 HydrophobicContact CD2-CB 4.37Å; F134-V193 HydrophobicContact CD2-CG1 4.05Å; F134-V193 HydrophobicContact CD2-CG2 4.26Å; F134-V193 HydrophobicContact CE1-CG2 4.41Å; F134-V193 HydrophobicContact CE2-CG2 4Å; F134-V193 HydrophobicContact CG-CG1 3.78Å; F134-V193 HydrophobicContact CZ-CG2 4.11Å; F134-A196 HydrophobicContact CB-CB 3.7Å; F134-A196 HydrophobicContact CD2-CB 4.44Å; F134-E198 PolarHBondContact N-O 2.82Å; F134-V199 HydrophobicContact CB-CG2 4.42Å; F134-V199 CarbonylContact O-C 3.35Å; F134-V199 WeakPolarHBondContact O-CA 3.41Å; F134-M200 PolarHBondContact O-N 2.91Å
135V98.9Very high97.9Very high7 Ų722.8 Ų22.84%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-93.3131174.2-171.80000109.2I20 L37 G38 P40 L133 M200I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.28Å; L37-V135 HydrophobicContact CD1-CG2 3.89Å; G38-V135 WeakPolarHBondContact O-CB 3.49Å; G38-V135 PolarHBondContact O-N 3.47Å; P40-V135 WeakPolarHBondContact CD-O 3.33Å; P40-V135 HydrophobicContact CG-CG1 4.13Å; L133-V135 HydrophobicContact CD2-CG2 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.13Å; V135-M200 CarbonylContact C-O 3.55Å; V135-M200 VanDerWaalsContact CA-O 3.3Å; V135-M200 WeakPolarHBondContact CA-O 3.46Å; V135-M200 HydrophobicContact CG1-CE 3.98Å; V135-M200 HydrophobicContact CG2-CE 3.81Å
136G98.5Very high97.9Very high1 Ų122.6 Ų22.61%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-137.1173.3-18000000112.4M200 I201 L202G136-M200 PolarHBondContact N-O 2.84Å; G136-I201 WeakPolarHBondContact O-CA 3.09Å; G136-L202 PolarHBondContact O-N 2.87Å
137G97.9Very high97.8Very high19 Ų1916.1 Ų16.120%0.19612%0.124CC..  trans-118.4-172.616500000110.7
138I98Very high97.8Very high6 Ų612.1 Ų12.13%0.0319%0.09CC..  trans-126.6132.9171.9-171.4169.1000109.7H143 I201 I203 K208 A211 A215 V226I138-H143 WeakPolarHBondContact CA-O 3.48Å; I138-I201 HydrophobicContact CB-CG2 4.46Å; I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.39Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.61Å; I138-I203 HydrophobicContact CG2-CG2 3.55Å; I138-K208 HydrophobicContact CG2-CB 4.31Å; I138-K208 HydrophobicContact CG2-CD 4.4Å; I138-K208 HydrophobicContact CG2-CG 4.49Å; I138-K208 WeakPolarHBondContact O-CD 3.41Å; I138-K208 WeakPolarHBondContact O-CE 3.38Å; I138-K208 PolarHBondContact O-NZ 2.93Å; I138-A211 HydrophobicContact CD1-CB 3.65Å; I138-A211 HydrophobicContact CG1-CB 3.97Å; I138-A215 HydrophobicContact CD1-CB 4.1Å; I138-V226 HydrophobicContact CB-CG2 4.18Å; I138-V226 HydrophobicContact CD1-CB 4.05Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.04Å; I138-V226 HydrophobicContact CG1-CB 4.35Å; I138-V226 HydrophobicContact CG1-CG2 3.78Å
139G94.6Very high97.8Very high3 Ų313 Ų133%0.0319%0.093CC..  trans-69.6160.6169.300000112.4D141 G142 H143 A211G139-D141 PolarHBondContact O-N 2.84Å; G139-G142 PolarHBondContact O-N 3.33Å; G139-H143 WeakPolarHBondContact CA-NE2 3.37Å; G139-H143 PolarHBondContact N-O 2.86Å; G139-H143 VanDerWaalsContact N-O 3.12Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.44Å
140P93.3Very high97.8Very high56 Ų5612.8 Ų12.836%0.3649%0.091SC..THydrogen-bonded Turntrans-57.6-24.6171.7-2233.9000113.8K208P140-K208 HydrophobicContact CG-CD 4.4Å
141D94.5Very high97.8Very high9 Ų912 Ų125%0.0488%0.083CC..THydrogen-bonded Turntrans-91.74.4175.365.2-12.6000113.5G139 H143 P149 W224G139-D141 PolarHBondContact O-N 2.84Å; D141-H143 VanDerWaalsContact CG-ND1 3.31Å; D141-H143 IonicContact OD1-CE1 3.49Å; D141-H143 PolarHBondContact OD1-CE1 3.24Å; D141-H143 IonicContact OD1-CG 3.49Å; D141-H143 VanDerWaalsContact OD1-CG 3.23Å; D141-H143 PolarHBondContact OD1-N 2.99Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 3.57Å; D141-H143 PolarHBondContact OD1-ND1 3.35Å; D141-H143 IonicContact OD2-CG 3.54Å; D141-H143 IonicContact OD2-ND1 2.68Å; D141-H143 PolarHBondContact OD2-ND1 2.85Å; D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 WeakPolarHBondContact OD2-CD 3.49Å; D141-W224 VanDerWaalsContact C-CE3 3.45Å; D141-W224 VanDerWaalsContact C-CZ3 3.46Å; D141-W224 WeakPolarHBondContact O-CZ3 3.27Å
142G97.4Very high97.8Very high0 Ų014.9 Ų14.90%010%0.103CC..  trans79.714.2-179.800000116G139 W224 T225 V226G139-G142 PolarHBondContact O-N 3.33Å; G142-W224 CarbonylContact O-C 3.3Å; G142-T225 PolarHBondContact O-N 2.93Å; G142-T225 VanDerWaalsContact O-N 3.08Å; G142-V226 WeakPolarHBondContact O-CG2 3.24Å; G142-V226 PolarHBondContact O-N 2.93Å
143H98.2Very high97.7Very high26 Ų2615.6 Ų15.612%0.1211%0.108CC..  trans-68.4147.3176.965.1-129.7000113.2I138 G139 D141 A145 N147 E148 T166 T225I138-H143 WeakPolarHBondContact CA-O 3.48Å; G139-H143 WeakPolarHBondContact CA-NE2 3.37Å; G139-H143 PolarHBondContact N-O 2.86Å; G139-H143 VanDerWaalsContact N-O 3.12Å; D141-H143 VanDerWaalsContact CG-ND1 3.31Å; D141-H143 IonicContact OD1-CE1 3.49Å; D141-H143 PolarHBondContact OD1-CE1 3.24Å; D141-H143 IonicContact OD1-CG 3.49Å; D141-H143 VanDerWaalsContact OD1-CG 3.23Å; D141-H143 PolarHBondContact OD1-N 2.99Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-H143 IonicContact OD1-ND1 3.57Å; D141-H143 PolarHBondContact OD1-ND1 3.35Å; D141-H143 IonicContact OD2-CG 3.54Å; D141-H143 IonicContact OD2-ND1 2.68Å; D141-H143 PolarHBondContact OD2-ND1 2.85Å; H143-A145 PolarHBondContact CD2-O 3.29Å; H143-N147 WeakPolarHBondContact CB-O 3.47Å; H143-E148 IonicContact CE1-OE2 3.23Å; H143-E148 IonicContact CG-OE2 3.59Å; H143-E148 IonicContact ND1-OE2 2.78Å; H143-E148 PolarHBondContact ND1-OE2 2.93Å; H143-T166 PolarHBondContact CE1-OG1 2.86Å; H143-T225 WeakPolarHBondContact CA-OG1 3.42Å
144I98.6Very high97.7Very high0 Ų021.3 Ų21.30%014%0.142CC..SBendtrans-103.2131.3158177.263.8000109.1M71 N147 V190 V193 I201 T225 V226 F229M71-I144 HydrophobicContact SD-CD1 4.04Å; I144-N147 HydrophobicContact CG2-CB 4.43Å; I144-N147 VanDerWaalsContact O-CB 3.23Å; I144-N147 WeakPolarHBondContact O-CB 3.49Å; I144-N147 PolarHBondContact O-N 3.45Å; I144-N147 PolarHBondContact O-ND2 2.68Å; I144-V190 HydrophobicContact CG2-CG2 4.13Å; I144-V193 HydrophobicContact CG1-CG1 4.44Å; I144-V193 HydrophobicContact CG1-CG2 4.23Å; I144-I201 HydrophobicContact CD1-CD1 3.9Å; I144-T225 PolarHBondContact N-OG1 3.48Å; I144-T225 VanDerWaalsContact N-OG1 3.08Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; I144-F229 HydrophobicContact CB-CE2 4.09Å; I144-F229 HydrophobicContact CB-CZ 4.37Å; I144-F229 HydrophobicContact CD1-CE2 4.32Å; I144-F229 HydrophobicContact CD1-CZ 4.48Å; I144-F229 HydrophobicContact CG1-CE2 3.98Å; I144-F229 HydrophobicContact CG1-CZ 3.93Å; I144-F229 HydrophobicContact CG2-CE2 4.25Å; I144-F229 HydrophobicContact CG2-CZ 4.29Å
145A98.1Very high97.7Very high5 Ų521.8 Ų21.84%0.04115%0.146CC..THydrogen-bonded Turntrans51.6-143.3-167.400000109.9M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.78Å; M71-A145 HydrophobicContact CE-CB 4.39Å; M71-A145 HydrophobicContact CG-CB 4.3Å; M71-A145 HydrophobicContact SD-CB 4.22Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.43Å; D72-A145 WeakPolarHBondContact OD2-CB 3.28Å; H143-A145 PolarHBondContact CD2-O 3.29Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.42Å; A145-T187 WeakPolarHBondContact CB-OG1 3.49Å; A145-V188 HydrophobicContact CB-CG2 3.98Å
146F98.2Very high97.7Very high6 Ų626.3 Ų26.33%0.02616%0.162CC..THydrogen-bonded Turntrans-94.434.9168.1-66.7-61000112.9D72 Y74 Y85 E148 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.51Å; D72-F146 HydrophobicContact CB-CE2 3.84Å; Y74-F146 HydrophobicContact CE1-CE2 4.3Å; Y74-F146 AromaticContact CE1-CZ 3.88Å; Y74-F146 HydrophobicContact CE1-CZ 3.88Å; Y85-F146 AromaticContact CE2-CE2 3.8Å; Y85-F146 HydrophobicContact CE2-CE2 3.8Å; Y85-F146 HydrophobicContact CE2-CZ 4.05Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.17Å; F146-E148 PolarHBondContact O-N 3.08Å; F146-L162 HydrophobicContact CB-CD2 4.2Å; F146-L162 HydrophobicContact CD1-CD2 3.53Å; F146-L162 HydrophobicContact CD2-CD2 4.23Å; F146-L162 HydrophobicContact CE1-CD2 3.83Å; F146-L162 HydrophobicContact CE2-CD2 4.47Å; F146-L162 HydrophobicContact CG-CD2 3.74Å; F146-L162 HydrophobicContact CZ-CD2 4.28Å; F146-T166 HydrophobicContact CD1-CG2 3.95Å; F146-T166 HydrophobicContact CE1-CG2 3.55Å; F146-A185 HydrophobicContact CB-CB 4.41Å; F146-A185 HydrophobicContact CD2-CB 3.26Å; F146-A185 HydrophobicContact CE2-CB 3.61Å; F146-A185 HydrophobicContact CG-CB 4.01Å; F146-T187 HydrophobicContact CB-CG2 4Å; F146-T187 PolarHBondContact N-OG1 3.24Å
147N98.6Very high97.7Very high0 Ų026.3 Ų26.30%016%0.162CC..  trans-78.871.8168.2-62.9-81.4000110H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.47Å; I144-N147 HydrophobicContact CG2-CB 4.43Å; I144-N147 VanDerWaalsContact O-CB 3.23Å; I144-N147 WeakPolarHBondContact O-CB 3.49Å; I144-N147 PolarHBondContact O-N 3.45Å; I144-N147 PolarHBondContact O-ND2 2.68Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.42Å; N147-S155 PolarHBondContact OD1-OG 3.19Å; N147-R158 PolarHBondContact OD1-NH1 3.2Å; N147-R158 PolarHBondContact OD1-NH2 2.93Å; N147-V188 PolarHBondContact ND2-O 3.39Å; N147-V190 HydrophobicContact CB-CG2 3.62Å; N147-V190 PolarHBondContact OD1-N 3.22Å; N147-T225 HydrophobicContact CB-CG2 4.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.2Å; N147-T225 PolarHBondContact O-OG1 3.36Å
148E97.6Very high97.8Very high4 Ų427.6 Ų27.62%0.01916%0.161CC..  trans-54.4158.8179.6-55.2-67.2-150.700112.3H143 F146 G150 S151 L162 A163 T166H143-E148 IonicContact CE1-OE2 3.23Å; H143-E148 IonicContact CG-OE2 3.59Å; H143-E148 IonicContact ND1-OE2 2.78Å; H143-E148 PolarHBondContact ND1-OE2 2.93Å; F146-E148 PolarHBondContact O-N 3.08Å; E148-G150 PolarHBondContact O-N 2.97Å; E148-S151 PolarHBondContact N-OG 3.12Å; E148-S151 WeakPolarHBondContact O-CB 3.43Å; E148-S151 PolarHBondContact O-N 2.91Å; E148-S151 PolarHBondContact O-OG 2.66Å; E148-L162 WeakPolarHBondContact OE1-CA 3.18Å; E148-A163 HydrophobicContact CB-CB 4.3Å; E148-A163 HydrophobicContact CG-CB 4.18Å; E148-A163 PolarHBondContact OE1-N 2.83Å; E148-T166 VanDerWaalsContact OE1-CB 3.26Å; E148-T166 WeakPolarHBondContact OE1-CB 3.32Å; E148-T166 PolarHBondContact OE1-OG1 2.91Å; E148-T166 PolarHBondContact OE2-OG1 3.26Å; E148-T166 VanDerWaalsContact OE2-OG1 3.12Å
149P98.2Very high97.8Very high43 Ų4329.6 Ų29.628%0.27917%0.173SC..THydrogen-bonded Turntrans-47.5132.2178.2-29.834.8000113.3D141 M223D141-P149 HydrophobicContact CB-CG 3.97Å; D141-P149 WeakPolarHBondContact OD2-CD 3.49Å; P149-M223 HydrophobicContact CB-CE 3.64Å; P149-M223 HydrophobicContact CB-SD 4.08Å
150G97.9Very high98Very high37 Ų3731.6 Ų31.638%0.38118%0.181SC..THydrogen-bonded Turntrans91.2-3.6-17500000114.3E148 H222E148-G150 PolarHBondContact O-N 2.97Å; G150-H222 PolarHBondContact N-O 3.35Å; G150-H222 PolarHBondContact O-ND1 3.45Å
151S98.7Very high98.2Very high4 Ų433.3 Ų33.33%0.02819%0.19CC..  trans-67.4136.5176.3-68.80000112.4E148 L153 R158 K160 H222E148-S151 PolarHBondContact N-OG 3.12Å; E148-S151 WeakPolarHBondContact O-CB 3.43Å; E148-S151 PolarHBondContact O-N 2.91Å; E148-S151 PolarHBondContact O-OG 2.66Å; S151-L153 PolarHBondContact O-N 2.92Å; S151-R158 PolarHBondContact OG-NH2 2.82Å; S151-K160 WeakPolarHBondContact OG-CE 3.11Å; S151-K160 PolarHBondContact OG-NZ 2.85Å; S151-H222 WeakPolarHBondContact O-CB 3.43Å
152S98.8Very high98.1Very high63 Ų6333.3 Ų33.344%0.44119%0.191SC..  trans-54.6131.4175.5173.40000111.8V154 S155S152-V154 PolarHBondContact O-N 2.82Å; S152-V154 WeakPolarHBondContact OG-CG2 3.3Å; S152-V154 PolarHBondContact OG-N 3.04Å; S152-S155 WeakPolarHBondContact O-CB 3.32Å; S152-S155 PolarHBondContact O-N 3.08Å; S152-S155 VanDerWaalsContact O-N 3.16Å; S152-S155 PolarHBondContact O-OG 3.04Å
153L98.8Very high97.6Very high38 Ų3834.6 Ų34.620%0.19920%0.201CC..THydrogen-bonded Turntrans-71.7-8.9179.7-61.3-173.7000113.6S151 V190 V220 H222 T225 A228S151-L153 PolarHBondContact O-N 2.92Å; L153-V190 HydrophobicContact CD2-CG1 4.44Å; L153-V190 WeakPolarHBondContact O-CB 3.4Å; L153-V190 VanDerWaalsContact O-CG1 3.25Å; L153-V190 WeakPolarHBondContact O-CG1 2.94Å; L153-V220 HydrophobicContact CD1-CG1 3.39Å; L153-H222 HydrophobicContact CD2-CB 4.01Å; L153-H222 HydrophobicContact CG-CB 4.02Å; L153-T225 HydrophobicContact CD2-CG2 4.16Å; L153-A228 HydrophobicContact CD2-CB 4.15Å
154V98.7Very high97.1Very high119 Ų11939.2 Ų39.272%0.72122%0.224SC*.THydrogen-bonded Turntrans-115.719.2174.8-62.20000111.8S152S152-V154 PolarHBondContact O-N 2.82Å; S152-V154 WeakPolarHBondContact OG-CG2 3.3Å; S152-V154 PolarHBondContact OG-N 3.04Å
155S98.9Very high96.5Very high12 Ų1243.8 Ų43.88%0.08425%0.248CC..  trans-64.1153.1-178.651.70000113.1N147 S152 R158 G189 V190 G191N147-S155 PolarHBondContact OD1-OG 3.19Å; S152-S155 WeakPolarHBondContact O-CB 3.32Å; S152-S155 PolarHBondContact O-N 3.08Å; S152-S155 VanDerWaalsContact O-N 3.16Å; S152-S155 PolarHBondContact O-OG 3.04Å; S155-R158 VanDerWaalsContact CB-CZ 3.46Å; S155-R158 PolarHBondContact OG-NH1 3.05Å; S155-R158 VanDerWaalsContact OG-NH1 3.14Å; S155-G189 CarbonylContact O-C 3.57Å; S155-G189 VanDerWaalsContact O-CA 3.26Å; S155-G189 WeakPolarHBondContact O-CA 3.37Å; S155-V190 PolarHBondContact O-N 3.02Å; S155-V190 PolarHBondContact OG-N 2.85Å; S155-G191 VanDerWaalsContact O-CA 3.31Å; S155-G191 WeakPolarHBondContact O-CA 3.37Å; S155-G191 PolarHBondContact O-N 3.11Å
156R98.9Very high96Very high101 Ų10143.7 Ų43.738%0.38125%0.247SC..  trans-100.6176.4168.5-59.9-45.9-58.7-165.2-7.8111.6E122 R158 G189 D195E122-R156 WeakPolarHBondContact OE1-CB 3.47Å; E122-R156 IonicContact OE1-CZ 3.45Å; E122-R156 IonicContact OE1-NE 2.65Å; E122-R156 PolarHBondContact OE1-NE 3.45Å; E122-R156 IonicContact OE1-NH2 3.29Å; E122-R156 PolarHBondContact OE1-NH2 3.31Å; E122-R156 IonicContact OE2-CZ 2.62Å; E122-R156 IonicContact OE2-NE 3.02Å; E122-R156 IonicContact OE2-NH2 3.92Å; E122-R156 PolarHBondContact OE2-NH2 3.13Å; R156-R158 PolarHBondContact O-N 2.83Å; R156-R158 PolarHBondContact O-NH1 3.45Å; R156-G189 VanDerWaalsContact O-CA 3.3Å; R156-G189 WeakPolarHBondContact O-CA 3.39Å; R156-G189 PolarHBondContact O-N 3.05Å; R156-D195 IonicContact CZ-OD2 3.96Å; R156-D195 IonicContact NH1-OD2 3.88Å; R156-D195 PolarHBondContact NH1-OD2 3.12Å; R156-D195 IonicContact NH2-OD2 3.53Å; R156-D195 PolarHBondContact NH2-OD2 3.09Å
157T98.9Very high95.6Very high2 Ų244.6 Ų44.61%0.01225%0.252CS..SBendtrans-54.1128.4173.6-52.30000110.5L107 C118 F121 E122 T187L107-T157 HydrophobicContact CD1-CG2 4.05Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; C118-T157 HydrophobicContact CB-CG2 3.79Å; C118-T157 WeakPolarHBondContact CB-O 3.15Å; F121-T157 HydrophobicContact CB-CG2 4.39Å; F121-T157 HydrophobicContact CD1-CG2 4.35Å; E122-T157 WeakPolarHBondContact OE1-CB 3.44Å; E122-T157 PolarHBondContact OE1-N 2.89Å; E122-T157 PolarHBondContact OE1-OG1 3.09Å; T157-T187 CarbonylContact C-O 3.54Å; T157-T187 WeakPolarHBondContact CA-O 3.49Å
158R98.9Very high95.1Very high46 Ų4649.1 Ų49.117%0.17428%0.276CS..EExtended strand (participates in β ladder)trans-163.9170.8-173.368.5-164.9-178-64.6-3.5112.1C118 N147 S151 S155 R156 K160 T187C118-R158 VanDerWaalsContact SG-C 3.6Å; C118-R158 VanDerWaalsContact SG-CA 3.5Å; N147-R158 PolarHBondContact OD1-NH1 3.2Å; N147-R158 PolarHBondContact OD1-NH2 2.93Å; S151-R158 PolarHBondContact OG-NH2 2.82Å; S155-R158 VanDerWaalsContact CB-CZ 3.46Å; S155-R158 PolarHBondContact OG-NH1 3.05Å; S155-R158 VanDerWaalsContact OG-NH1 3.14Å; R156-R158 PolarHBondContact O-N 2.83Å; R156-R158 PolarHBondContact O-NH1 3.45Å; R158-K160 HydrophobicContact CG-CG 4.26Å; R158-T187 PolarHBondContact N-O 3.45Å; R158-T187 PolarHBondContact O-N 3.41Å
159V98.6Very high94.5Very high47 Ų4750.5 Ų50.529%0.28529%0.288SS..EExtended strand (participates in β ladder)trans-71136.8165.7-172.10000110.4L114 M184 A185 L186L114-V159 HydrophobicContact CB-CG2 3.61Å; L114-V159 HydrophobicContact CD1-CG2 3.96Å; L114-V159 HydrophobicContact CG-CG2 4.45Å; V159-M184 HydrophobicContact CG1-CB 4.22Å; V159-M184 HydrophobicContact CG1-CG 4.48Å; V159-M184 HydrophobicContact CG1-SD 3.99Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; V159-L186 HydrophobicContact CB-CD2 4.33Å; V159-L186 HydrophobicContact CG2-CD2 3.59Å
160K98.2Very high94.1Very high45 Ų4549.5 Ų49.520%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-133.9133.7171.3-83.5-67.2-58.6-1770110.8S151 R158 M184 A185 T187S151-K160 WeakPolarHBondContact OG-CE 3.11Å; S151-K160 PolarHBondContact OG-NZ 2.85Å; R158-K160 HydrophobicContact CG-CG 4.26Å; K160-M184 CarbonylContact O-C 3.56Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.2Å; K160-A185 PolarHBondContact N-O 3.04Å; K160-A185 PolarHBondContact O-N 3.37Å; K160-T187 HydrophobicContact CB-CG2 3.92Å; K160-T187 HydrophobicContact CG-CG2 3.73Å
161T97.3Very high93.8Very high92 Ų9248 Ų4856%0.56427%0.265SS*.EExtended strand (participates in β ladder)trans-75133.4166.4-50.40000109.1T183T161-T183 WeakPolarHBondContact CA-O 3.1Å; T161-T183 WeakPolarHBondContact CG2-O 3.37Å
162L92Very high93.4Very high10 Ų1055.3 Ų55.35%0.05229%0.292CS..PPolyproline II helixtrans-71.4141.1-179.6-55.8-170.8000110.9Y74 F146 E148 T166 I167 V181 P182 T183 A185Y74-L162 HydrophobicContact CD1-CD1 4.3Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; F146-L162 HydrophobicContact CB-CD2 4.2Å; F146-L162 HydrophobicContact CD1-CD2 3.53Å; F146-L162 HydrophobicContact CD2-CD2 4.23Å; F146-L162 HydrophobicContact CE1-CD2 3.83Å; F146-L162 HydrophobicContact CE2-CD2 4.47Å; F146-L162 HydrophobicContact CG-CD2 3.74Å; F146-L162 HydrophobicContact CZ-CD2 4.28Å; E148-L162 WeakPolarHBondContact OE1-CA 3.18Å; L162-T166 HydrophobicContact CB-CG2 4.33Å; L162-T166 HydrophobicContact CD1-CG2 4.22Å; L162-T166 HydrophobicContact CD2-CG2 4.32Å; L162-I167 HydrophobicContact CB-CD1 4.42Å; L162-I167 HydrophobicContact CB-CG1 3.98Å; L162-V181 HydrophobicContact CD1-CG1 4.35Å; L162-P182 WeakPolarHBondContact CD1-O 3.44Å; L162-T183 PolarHBondContact N-O 2.89Å; L162-A185 HydrophobicContact CD2-CB 3.94Å
163A87.9Confident93Very high26 Ų2655.8 Ų55.822%0.21529%0.286CS..PPolyproline II helixtrans-74.4159.7172.800000111E148 D165 T166 I167E148-A163 HydrophobicContact CB-CB 4.3Å; E148-A163 HydrophobicContact CG-CB 4.18Å; E148-A163 PolarHBondContact OE1-N 2.83Å; A163-D165 VanDerWaalsContact C-N 3.29Å; A163-D165 PolarHBondContact O-N 3.42Å; A163-T166 WeakPolarHBondContact O-CB 3.23Å; A163-T166 PolarHBondContact O-N 2.81Å; A163-T166 VanDerWaalsContact O-N 3.14Å; A163-I167 WeakPolarHBondContact O-CG1 3.45Å; A163-I167 PolarHBondContact O-N 3.42Å
164M88.4Confident92.7Very high124 Ų12454.5 Ų54.561%0.61128%0.279SS*.Hα-helixtrans-58.5-39.8179-74.1-61.9-62.100112.6T166 I167 L168M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.19Å; M164-I167 PolarHBondContact O-N 3.49Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; M164-L168 WeakPolarHBondContact O-CB 3.49Å; M164-L168 WeakPolarHBondContact O-CD1 3.44Å; M164-L168 VanDerWaalsContact O-CG 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.49Å; M164-L168 PolarHBondContact O-N 3.15Å
165D85.3Confident92.4Very high95 Ų9555 Ų5551%0.50828%0.277SS..Hα-helixtrans-61.7-40.2177.4-68.1-43.3000111.8A163 L168 A169A163-D165 VanDerWaalsContact C-N 3.29Å; A163-D165 PolarHBondContact O-N 3.42Å; D165-L168 PolarHBondContact O-N 2.88Å; D165-A169 VanDerWaalsContact O-CB 3.28Å; D165-A169 WeakPolarHBondContact O-CB 3.2Å; D165-A169 PolarHBondContact O-N 2.53Å
166T86.9Confident92Very high3 Ų356.8 Ų56.82%0.01830%0.298CS..Hα-helixtrans-66-44.6175.5-58.40000111.6H143 F146 E148 L162 A163 M164 L168 A169 N170H143-T166 PolarHBondContact CE1-OG1 2.86Å; F146-T166 HydrophobicContact CD1-CG2 3.95Å; F146-T166 HydrophobicContact CE1-CG2 3.55Å; E148-T166 VanDerWaalsContact OE1-CB 3.26Å; E148-T166 WeakPolarHBondContact OE1-CB 3.32Å; E148-T166 PolarHBondContact OE1-OG1 2.91Å; E148-T166 PolarHBondContact OE2-OG1 3.26Å; E148-T166 VanDerWaalsContact OE2-OG1 3.12Å; L162-T166 HydrophobicContact CB-CG2 4.33Å; L162-T166 HydrophobicContact CD1-CG2 4.22Å; L162-T166 HydrophobicContact CD2-CG2 4.32Å; A163-T166 WeakPolarHBondContact O-CB 3.23Å; A163-T166 PolarHBondContact O-N 2.81Å; A163-T166 VanDerWaalsContact O-N 3.14Å; M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.19Å; T166-L168 PolarHBondContact O-N 3.15Å; T166-A169 PolarHBondContact O-N 3.21Å; T166-N170 WeakPolarHBondContact O-CB 3.27Å; T166-N170 PolarHBondContact O-N 3.49Å
167I89.5Confident91.6Very high25 Ų2556.1 Ų56.113%0.12830%0.299CS..Hα-helixtrans-59.8-47.3176.2-67.6169.9000110.3L162 A163 M164 N170 A171 L178 V181L162-I167 HydrophobicContact CB-CD1 4.42Å; L162-I167 HydrophobicContact CB-CG1 3.98Å; A163-I167 WeakPolarHBondContact O-CG1 3.45Å; A163-I167 PolarHBondContact O-N 3.42Å; M164-I167 PolarHBondContact O-N 3.49Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; I167-N170 PolarHBondContact O-N 3.02Å; I167-A171 WeakPolarHBondContact O-CB 3.41Å; I167-A171 PolarHBondContact O-N 2.9Å; I167-L178 HydrophobicContact CG2-CB 4.13Å; I167-L178 HydrophobicContact CG2-CD2 3.88Å; I167-V181 HydrophobicContact CG1-CG1 4.45Å; I167-V181 HydrophobicContact CG2-CB 4.15Å; I167-V181 HydrophobicContact CG2-CG1 4.5Å; I167-V181 HydrophobicContact CG2-CG2 4.22Å
168L89.6Confident91.3Very high95 Ų9559.6 Ų59.650%0.49732%0.317SS..Hα-helixtrans-61.6-45177.6-74.3162.8000112.1M164 D165 T166 N170 L178M164-L168 WeakPolarHBondContact O-CB 3.49Å; M164-L168 WeakPolarHBondContact O-CD1 3.44Å; M164-L168 VanDerWaalsContact O-CG 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.49Å; M164-L168 PolarHBondContact O-N 3.15Å; D165-L168 PolarHBondContact O-N 2.88Å; T166-L168 PolarHBondContact O-N 3.15Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.04Å; L168-L178 HydrophobicContact CD2-CD1 4.07Å; L168-L178 HydrophobicContact CD2-CD2 3.63Å; L168-L178 HydrophobicContact CG-CD2 4.15Å
169A84.6Confident91Very high34 Ų3463.5 Ų63.528%0.28135%0.346SS..Hα-helixtrans-65.7-32.8-179.700000112.9D165 T166 R172D165-A169 VanDerWaalsContact O-CB 3.28Å; D165-A169 WeakPolarHBondContact O-CB 3.2Å; D165-A169 PolarHBondContact O-N 2.53Å; T166-A169 PolarHBondContact O-N 3.21Å; A169-R172 PolarHBondContact O-NE 2.98Å
170N89.4Confident90.6Very high21 Ų2165.4 Ų65.411%0.11235%0.351CS..Hα-helixtrans-95-14.7-175.5-68.46.9000113.4Y74 T166 I167 L168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.14Å; T166-N170 WeakPolarHBondContact O-CB 3.27Å; T166-N170 PolarHBondContact O-N 3.49Å; I167-N170 PolarHBondContact O-N 3.02Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.04Å; N170-R172 PolarHBondContact O-N 3.05Å; N170-F173 HydrophobicContact CB-CD2 4.25Å; N170-F173 WeakPolarHBondContact O-CB 3.15Å; N170-F173 WeakPolarHBondContact O-CD2 3.34Å; N170-F173 PolarHBondContact O-N 3.45Å; N170-F174 WeakPolarHBondContact O-CD2 3.23Å; N170-V181 HydrophobicContact CB-CG1 4.45Å
171A91.4Very high90.4Very high7 Ų763.5 Ų63.56%0.05834%0.343CS..G310 helixtrans-53-30.4177.400000113.9I167 F173 F174 G176 L178 V181I167-A171 WeakPolarHBondContact O-CB 3.41Å; I167-A171 PolarHBondContact O-N 2.9Å; A171-F173 PolarHBondContact O-N 3.01Å; A171-F173 VanDerWaalsContact O-N 3.08Å; A171-F174 CarbonylContact O-C 3.39Å; A171-F174 PolarHBondContact O-N 2.9Å; A171-G176 WeakPolarHBondContact O-CA 3.42Å; A171-G176 PolarHBondContact O-N 3.38Å; A171-L178 HydrophobicContact CB-CD2 3.71Å; A171-V181 HydrophobicContact CB-CG2 4.14Å
172R91Very high90.3Very high157 Ų15759.9 Ų59.959%0.59232%0.321SS*.G310 helixtrans-57.5-21.1174.569.2-176.4177.1-167-6114.4A169 N170A169-R172 PolarHBondContact O-NE 2.98Å; N170-R172 PolarHBondContact O-N 3.05Å
173F90.3Very high90.4Very high72 Ų7263.8 Ų63.832%0.31635%0.346SS..G310 helixtrans-89.1-16.8175.7-57.7-60.6000112.2E83 N170 A171E83-F173 HydrophobicContact CG-CB 4.22Å; E83-F173 WeakPolarHBondContact CG-O 3.23Å; E83-F173 WeakPolarHBondContact OE2-CB 3.38Å; N170-F173 HydrophobicContact CB-CD2 4.25Å; N170-F173 WeakPolarHBondContact O-CB 3.15Å; N170-F173 WeakPolarHBondContact O-CD2 3.34Å; N170-F173 PolarHBondContact O-N 3.45Å; A171-F173 PolarHBondContact O-N 3.01Å; A171-F173 VanDerWaalsContact O-N 3.08Å
174F92.4Very high90.8Very high11 Ų1165.7 Ų65.75%0.04835%0.351CS..THydrogen-bonded Turntrans-116.755.9-176.2-61.8-89000110.8Y74 L77 E83 N170 A171 G176 E177 K180 V181 P182Y74-F174 HydrophobicContact CD2-CZ 4.33Å; Y74-F174 HydrophobicContact CE2-CE2 4.22Å; Y74-F174 AromaticContact CE2-CZ 3.86Å; Y74-F174 HydrophobicContact CE2-CZ 3.86Å; L77-F174 HydrophobicContact CD1-CE1 4.15Å; L77-F174 HydrophobicContact CD2-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CZ 4.24Å; E83-F174 HydrophobicContact CB-CE1 4.13Å; E83-F174 HydrophobicContact CB-CZ 4.04Å; N170-F174 WeakPolarHBondContact O-CD2 3.23Å; A171-F174 CarbonylContact O-C 3.39Å; A171-F174 PolarHBondContact O-N 2.9Å; F174-G176 PolarHBondContact O-N 3.08Å; F174-E177 PolarHBondContact O-N 3.27Å; F174-K180 HydrophobicContact CB-CB 3.84Å; F174-K180 WeakPolarHBondContact CD1-O 3.34Å; F174-V181 HydrophobicContact CB-CG2 4.23Å; F174-V181 HydrophobicContact CD2-CB 4.33Å; F174-V181 HydrophobicContact CD2-CG1 4.36Å; F174-V181 HydrophobicContact CD2-CG2 3.82Å; F174-V181 HydrophobicContact CE2-CG1 4.29Å; F174-V181 HydrophobicContact CG-CG2 4.22Å; F174-P182 HydrophobicContact CE1-CG 4.31Å; F174-P182 VanDerWaalsContact CZ-CD 3.49Å; F174-P182 HydrophobicContact CZ-CG 4.19Å
175D91.9Very high91.3Very high129 Ų12959.8 Ų59.869%0.6932%0.322SS*.THydrogen-bonded Turntrans58.214.4-179-52.5-44.1000115.5E177 K180D175-E177 VanDerWaalsContact C-N 3.27Å; D175-K180 IonicContact OD2-NZ 2.74Å; D175-K180 PolarHBondContact OD2-NZ 3.19Å
176G90.1Very high91.9Very high50 Ų5055.3 Ų55.352%0.51530%0.298SS..THydrogen-bonded Turntrans78.36.6-172.800000114.2A171 F174A171-G176 WeakPolarHBondContact O-CA 3.42Å; A171-G176 PolarHBondContact O-N 3.38Å; F174-G176 PolarHBondContact O-N 3.08Å
177E91.9Very high92.5Very high87 Ų8755.1 Ų55.141%0.40730%0.297SS..  trans-99116.4-177.1-68.2178.6-130.800111.8F174 D175 T179 K180F174-E177 PolarHBondContact O-N 3.27Å; D175-E177 VanDerWaalsContact C-N 3.27Å; E177-T179 PolarHBondContact O-N 2.84Å; E177-K180 HydrophobicContact CB-CB 4.29Å; E177-K180 HydrophobicContact CB-CD 3.98Å; E177-K180 HydrophobicContact CB-CG 3.98Å; E177-K180 VanDerWaalsContact CD-CE 3.44Å; E177-K180 VanDerWaalsContact CD-NZ 3.35Å; E177-K180 HydrophobicContact CG-CD 4.44Å; E177-K180 PolarHBondContact O-N 2.96Å; E177-K180 VanDerWaalsContact O-N 3.09Å; E177-K180 WeakPolarHBondContact OE1-CE 3.28Å; E177-K180 IonicContact OE1-NZ 3.55Å; E177-K180 PolarHBondContact OE1-NZ 3.01Å; E177-K180 WeakPolarHBondContact OE2-CE 3.35Å; E177-K180 IonicContact OE2-NZ 2.93Å
178L91.1Very high93Very high75 Ų7554 Ų5439%0.39329%0.291SS..G310 helixtrans-58.9-34.5-179.1-59.7173.3000113I167 L168 A171 K180 V181I167-L178 HydrophobicContact CG2-CB 4.13Å; I167-L178 HydrophobicContact CG2-CD2 3.88Å; L168-L178 HydrophobicContact CD2-CD1 4.07Å; L168-L178 HydrophobicContact CD2-CD2 3.63Å; L168-L178 HydrophobicContact CG-CD2 4.15Å; A171-L178 HydrophobicContact CB-CD2 3.71Å; L178-K180 PolarHBondContact O-N 3.08Å; L178-V181 PolarHBondContact O-N 2.98Å
179T92.5Very high93.4Very high128 Ų12849.5 Ų49.579%0.78527%0.267SS*.G310 helixtrans-71.7-16.3-178.948.70000113.8E177E177-T179 PolarHBondContact O-N 2.84Å
180K92Very high94.1Very high87 Ų8747.9 Ų47.938%0.37825%0.254SS..G310 helixtrans-89.1-13.9177-70.3-176.1176.4163.30112.8F174 D175 E177 L178F174-K180 HydrophobicContact CB-CB 3.84Å; F174-K180 WeakPolarHBondContact CD1-O 3.34Å; D175-K180 IonicContact OD2-NZ 2.74Å; D175-K180 PolarHBondContact OD2-NZ 3.19Å; E177-K180 HydrophobicContact CB-CB 4.29Å; E177-K180 HydrophobicContact CB-CD 3.98Å; E177-K180 HydrophobicContact CB-CG 3.98Å; E177-K180 VanDerWaalsContact CD-CE 3.44Å; E177-K180 VanDerWaalsContact CD-NZ 3.35Å; E177-K180 HydrophobicContact CG-CD 4.44Å; E177-K180 PolarHBondContact O-N 2.96Å; E177-K180 VanDerWaalsContact O-N 3.09Å; E177-K180 WeakPolarHBondContact OE1-CE 3.28Å; E177-K180 IonicContact OE1-NZ 3.55Å; E177-K180 PolarHBondContact OE1-NZ 3.01Å; E177-K180 WeakPolarHBondContact OE2-CE 3.35Å; E177-K180 IonicContact OE2-NZ 2.93Å; L178-K180 PolarHBondContact O-N 3.08Å
181V93.2Very high94.5Very high6 Ų647.2 Ų47.24%0.03625%0.252CS..SBendtrans-71.7129.9176.2-1730000108.8L162 I167 N170 A171 F174 L178 T183L162-V181 HydrophobicContact CD1-CG1 4.35Å; I167-V181 HydrophobicContact CG1-CG1 4.45Å; I167-V181 HydrophobicContact CG2-CB 4.15Å; I167-V181 HydrophobicContact CG2-CG1 4.5Å; I167-V181 HydrophobicContact CG2-CG2 4.22Å; N170-V181 HydrophobicContact CB-CG1 4.45Å; A171-V181 HydrophobicContact CB-CG2 4.14Å; F174-V181 HydrophobicContact CB-CG2 4.23Å; F174-V181 HydrophobicContact CD2-CB 4.33Å; F174-V181 HydrophobicContact CD2-CG1 4.36Å; F174-V181 HydrophobicContact CD2-CG2 3.82Å; F174-V181 HydrophobicContact CE2-CG1 4.29Å; F174-V181 HydrophobicContact CG-CG2 4.22Å; L178-V181 PolarHBondContact O-N 2.98Å; V181-T183 PolarHBondContact O-N 3.32Å
182P94.9Very high94.9Very high16 Ų1647 Ų4710%0.10425%0.25CS..  trans-54.3134.9174.3-28.337.1000111.6Y74 L77 L162 F174 M184Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.83Å; Y74-P182 HydrophobicContact CD2-CG 4.29Å; Y74-P182 HydrophobicContact CE1-CG 4.47Å; Y74-P182 HydrophobicContact CG-CB 3.97Å; Y74-P182 HydrophobicContact CG-CG 3.71Å; L77-P182 HydrophobicContact CB-CG 4.22Å; L77-P182 HydrophobicContact CD1-CG 4.31Å; L77-P182 HydrophobicContact CD2-CG 4.38Å; L162-P182 WeakPolarHBondContact CD1-O 3.44Å; F174-P182 HydrophobicContact CE1-CG 4.31Å; F174-P182 VanDerWaalsContact CZ-CD 3.49Å; F174-P182 HydrophobicContact CZ-CG 4.19Å; P182-M184 VanDerWaalsContact C-N 3.32Å; P182-M184 PolarHBondContact O-N 3.01Å
183T94.2Very high95.3Very high92 Ų9239.6 Ų39.656%0.56422%0.222SC*.SBendtrans-78.3-19.5-175.354.40000113.2T161 L162 V181T161-T183 WeakPolarHBondContact CA-O 3.1Å; T161-T183 WeakPolarHBondContact CG2-O 3.37Å; L162-T183 PolarHBondContact N-O 2.89Å; V181-T183 PolarHBondContact O-N 3.32Å
184M97.1Very high95.7Very high66 Ų6638.3 Ų38.333%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-135.3156.5-177.6-61.9-177.7-67.200110.9V75 V159 K160 P182V75-M184 HydrophobicContact CB-CB 4.02Å; V75-M184 HydrophobicContact CG1-CE 4.22Å; V75-M184 HydrophobicContact CG2-CB 4.14Å; V75-M184 PolarHBondContact N-O 3.25Å; V159-M184 HydrophobicContact CG1-CB 4.22Å; V159-M184 HydrophobicContact CG1-CG 4.48Å; V159-M184 HydrophobicContact CG1-SD 3.99Å; K160-M184 CarbonylContact O-C 3.56Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.2Å; P182-M184 VanDerWaalsContact C-N 3.32Å; P182-M184 PolarHBondContact O-N 3.01Å
185A98.2Very high96Very high0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-136.6152.2171.300000110.3E73 F146 V159 K160 L162E73-A185 CarbonylContact O-C 3.55Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.35Å; E73-A185 WeakPolarHBondContact O-CB 3.43Å; F146-A185 HydrophobicContact CB-CB 4.41Å; F146-A185 HydrophobicContact CD2-CB 3.26Å; F146-A185 HydrophobicContact CE2-CB 3.61Å; F146-A185 HydrophobicContact CG-CB 4.01Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; K160-A185 PolarHBondContact N-O 3.04Å; K160-A185 PolarHBondContact O-N 3.37Å; L162-A185 HydrophobicContact CD2-CB 3.94Å
186L98.8Very high96.3Very high0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-83.2136.1159.1-55.1-171.4000107.3D72 E73 V75 L107 D108 L114 E117 V159D72-L186 CarbonylContact C-O 3.56Å; D72-L186 WeakPolarHBondContact CA-O 3.18Å; D72-L186 WeakPolarHBondContact CB-O 3.38Å; E73-L186 PolarHBondContact N-O 3.01Å; E73-L186 PolarHBondContact O-N 3.02Å; V75-L186 HydrophobicContact CG2-CD2 3.75Å; V75-L186 HydrophobicContact CG2-CG 3.89Å; L107-L186 HydrophobicContact CB-CB 3.92Å; L107-L186 HydrophobicContact CB-CD1 4.15Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.18Å; L107-L186 HydrophobicContact CD2-CD1 4.25Å; L107-L186 HydrophobicContact CG-CB 4.17Å; D108-L186 WeakPolarHBondContact O-CD1 3.21Å; L114-L186 HydrophobicContact CB-CD2 3.96Å; L114-L186 HydrophobicContact CD1-CD2 4.47Å; L114-L186 HydrophobicContact CD2-CD1 4.29Å; L114-L186 HydrophobicContact CD2-CD2 4.14Å; L114-L186 HydrophobicContact CG-CD2 4.41Å; E117-L186 HydrophobicContact CB-CD1 4.5Å; E117-L186 HydrophobicContact CG-CD1 3.91Å; V159-L186 HydrophobicContact CB-CD2 4.33Å; V159-L186 HydrophobicContact CG2-CD2 3.59Å
187T98.9Very high96.7Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-148.9142-177.1-171.60000111.5M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.46Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; A145-T187 WeakPolarHBondContact CB-OG1 3.49Å; F146-T187 HydrophobicContact CB-CG2 4Å; F146-T187 PolarHBondContact N-OG1 3.24Å; T157-T187 CarbonylContact C-O 3.54Å; T157-T187 WeakPolarHBondContact CA-O 3.49Å; R158-T187 PolarHBondContact N-O 3.45Å; R158-T187 PolarHBondContact O-N 3.41Å; K160-T187 HydrophobicContact CB-CG2 3.92Å; K160-T187 HydrophobicContact CG-CG2 3.73Å
188V98.9Very high97.1Very high1 Ų136.1 Ų36.11%0.00619%0.189CC..  trans-58.9141.5167.4-61.40000109.6M71 F121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.17Å; M71-V188 HydrophobicContact CG-CG2 4.39Å; M71-V188 WeakPolarHBondContact O-CG2 3.27Å; M71-V188 PolarHBondContact O-N 3.33Å; F121-V188 HydrophobicContact CD1-CG1 4.23Å; F121-V188 HydrophobicContact CE1-CG1 3.81Å; F134-V188 HydrophobicContact CE2-CG2 4.49Å; F134-V188 HydrophobicContact CZ-CG2 4.06Å; A145-V188 HydrophobicContact CB-CG2 3.98Å; N147-V188 PolarHBondContact ND2-O 3.39Å; V188-T192 HydrophobicContact CB-CG2 4.05Å; V188-T192 HydrophobicContact CG1-CG2 4.27Å; V188-V193 HydrophobicContact CG2-CG2 3.68Å
189G98.9Very high97.4Very high0 Ų032.6 Ų32.60%017%0.17CC..  trans-76.6163.5176.400000113.4S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.57Å; S155-G189 VanDerWaalsContact O-CA 3.26Å; S155-G189 WeakPolarHBondContact O-CA 3.37Å; R156-G189 VanDerWaalsContact O-CA 3.3Å; R156-G189 WeakPolarHBondContact O-CA 3.39Å; R156-G189 PolarHBondContact O-N 3.05Å; G189-G191 PolarHBondContact O-N 2.67Å; G189-T192 WeakPolarHBondContact CA-OG1 3.48Å; G189-T192 PolarHBondContact N-OG1 2.89Å; G189-T192 WeakPolarHBondContact O-CA 3.43Å; G189-T192 WeakPolarHBondContact O-CB 3.41Å; G189-T192 PolarHBondContact O-N 2.91Å; G189-T192 PolarHBondContact O-OG1 2.63Å; G189-T192 VanDerWaalsContact O-OG1 3.12Å; G189-V193 PolarHBondContact O-N 2.92Å
190V98.9Very high97.8Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-57.2-41.4175.3-177.10000110.8I144 N147 L153 S155 T192 V193 M194 T225 A228I144-V190 HydrophobicContact CG2-CG2 4.13Å; N147-V190 HydrophobicContact CB-CG2 3.62Å; N147-V190 PolarHBondContact OD1-N 3.22Å; L153-V190 HydrophobicContact CD2-CG1 4.44Å; L153-V190 WeakPolarHBondContact O-CB 3.4Å; L153-V190 VanDerWaalsContact O-CG1 3.25Å; L153-V190 WeakPolarHBondContact O-CG1 2.94Å; S155-V190 PolarHBondContact O-N 3.02Å; S155-V190 PolarHBondContact OG-N 2.85Å; V190-T192 VanDerWaalsContact C-N 3.33Å; V190-T192 PolarHBondContact O-N 3.45Å; V190-V193 PolarHBondContact O-N 3.36Å; V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.45Å; V190-M194 WeakPolarHBondContact O-CG 3.37Å; V190-M194 PolarHBondContact O-N 3.24Å; V190-T225 HydrophobicContact CG2-CG2 4.27Å; V190-A228 HydrophobicContact CG1-CB 3.54Å
191G98.8Very high98.1Very high7 Ų722.3 Ų22.37%0.07212%0.115CC..Hα-helixtrans-61.7-39.4175.400000112.6S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.31Å; S155-G191 WeakPolarHBondContact O-CA 3.37Å; S155-G191 PolarHBondContact O-N 3.11Å; G189-G191 PolarHBondContact O-N 2.67Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.37Å; G191-M194 CarbonylContact O-C 3.51Å; G191-M194 WeakPolarHBondContact O-CB 3.44Å; G191-M194 PolarHBondContact O-N 3.47Å; G191-D195 VanDerWaalsContact O-CG 3.27Å; G191-D195 PolarHBondContact O-N 2.83Å
192T98.9Very high98.4Very high4 Ų422.3 Ų22.33%0.02511%0.114CC..Hα-helixtrans-57.7-43.2175.6-33.30000112.2E122 I125 V188 G189 V190E122-T192 PolarHBondContact OE1-OG1 3.04Å; E122-T192 VanDerWaalsContact OE1-OG1 3.05Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.44Å; I125-T192 HydrophobicContact CD1-CG2 3.83Å; V188-T192 HydrophobicContact CB-CG2 4.05Å; V188-T192 HydrophobicContact CG1-CG2 4.27Å; G189-T192 WeakPolarHBondContact CA-OG1 3.48Å; G189-T192 PolarHBondContact N-OG1 2.89Å; G189-T192 WeakPolarHBondContact O-CA 3.43Å; G189-T192 WeakPolarHBondContact O-CB 3.41Å; G189-T192 PolarHBondContact O-N 2.91Å; G189-T192 PolarHBondContact O-OG1 2.63Å; G189-T192 VanDerWaalsContact O-OG1 3.12Å; V190-T192 VanDerWaalsContact C-N 3.33Å; V190-T192 PolarHBondContact O-N 3.45Å
193V98.9Very high98.5Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-74.6-37.2177.8-172.70000110.8F134 I144 V188 G189 V190 G191 D195 A196 V199 F229F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 4.03Å; F134-V193 HydrophobicContact CD2-CB 4.37Å; F134-V193 HydrophobicContact CD2-CG1 4.05Å; F134-V193 HydrophobicContact CD2-CG2 4.26Å; F134-V193 HydrophobicContact CE1-CG2 4.41Å; F134-V193 HydrophobicContact CE2-CG2 4Å; F134-V193 HydrophobicContact CG-CG1 3.78Å; F134-V193 HydrophobicContact CZ-CG2 4.11Å; I144-V193 HydrophobicContact CG1-CG1 4.44Å; I144-V193 HydrophobicContact CG1-CG2 4.23Å; V188-V193 HydrophobicContact CG2-CG2 3.68Å; G189-V193 PolarHBondContact O-N 2.92Å; V190-V193 PolarHBondContact O-N 3.36Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.37Å; V193-D195 PolarHBondContact O-N 3.08Å; V193-A196 VanDerWaalsContact O-CB 3.24Å; V193-A196 WeakPolarHBondContact O-CB 3.33Å; V193-A196 PolarHBondContact O-N 3.26Å; V193-A196 VanDerWaalsContact O-N 3.14Å; V193-V199 HydrophobicContact CG1-CG1 4.26Å; V193-V199 HydrophobicContact CG1-CG2 4.08Å; V193-V199 WeakPolarHBondContact O-CG2 3.24Å; V193-F229 HydrophobicContact CB-CE1 4.18Å; V193-F229 HydrophobicContact CB-CZ 4.03Å; V193-F229 HydrophobicContact CG1-CE1 3.71Å; V193-F229 HydrophobicContact CG1-CZ 3.49Å; V193-F229 VanDerWaalsContact CG1-CZ 3.49Å
194M98.9Very high98.8Very high46 Ų4617.6 Ų17.623%0.2279%0.085CC..Hα-helixtrans-63.4-24.8175.1-73.7-74.6-64.300113.5V190 G191 A196 A228 F229 Q231 H232V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.45Å; V190-M194 WeakPolarHBondContact O-CG 3.37Å; V190-M194 PolarHBondContact O-N 3.24Å; G191-M194 CarbonylContact O-C 3.51Å; G191-M194 WeakPolarHBondContact O-CB 3.44Å; G191-M194 PolarHBondContact O-N 3.47Å; M194-A196 PolarHBondContact O-N 2.85Å; M194-A228 HydrophobicContact SD-CB 4.24Å; M194-F229 HydrophobicContact CG-CD1 4.42Å; M194-F229 HydrophobicContact CG-CE1 4.15Å; M194-F229 HydrophobicContact SD-CD1 3.5Å; M194-F229 WeakPolarHBondContact SD-CD1 3.39Å; M194-F229 HydrophobicContact SD-CE1 3.83Å; M194-F229 HydrophobicContact SD-CG 4.49Å; M194-Q231 HydrophobicContact CE-CB 4.32Å; M194-H232 HydrophobicContact CE-CB 3.98Å; M194-H232 PolarHBondContact O-CD2 3.37Å; M194-H232 PolarHBondContact O-NE2 3.08Å; M194-H232 HydrophobicContact SD-CB 3.77Å
195D98.9Very high98.8Very high105 Ų10515 Ų1556%0.5618%0.076SC*.THydrogen-bonded Turntrans-77.2-9.1175.9-72.9-13.2000113.3R156 G191 V193R156-D195 IonicContact CZ-OD2 3.96Å; R156-D195 IonicContact NH1-OD2 3.88Å; R156-D195 PolarHBondContact NH1-OD2 3.12Å; R156-D195 IonicContact NH2-OD2 3.53Å; R156-D195 PolarHBondContact NH2-OD2 3.09Å; G191-D195 VanDerWaalsContact O-CG 3.27Å; G191-D195 PolarHBondContact O-N 2.83Å; V193-D195 PolarHBondContact O-N 3.08Å
196A98.9Very high98.8Very high4 Ų417.4 Ų17.43%0.03310%0.096CC..SBendtrans-64.4147.6174.600000110.8I131 F134 V193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.94Å; I131-A196 HydrophobicContact CG2-CB 4.06Å; F134-A196 HydrophobicContact CB-CB 3.7Å; F134-A196 HydrophobicContact CD2-CB 4.44Å; V193-A196 VanDerWaalsContact O-CB 3.24Å; V193-A196 WeakPolarHBondContact O-CB 3.33Å; V193-A196 PolarHBondContact O-N 3.26Å; V193-A196 VanDerWaalsContact O-N 3.14Å; M194-A196 PolarHBondContact O-N 2.85Å; A196-E198 PolarHBondContact O-N 2.97Å; A196-V199 HydrophobicContact CB-CG2 4.17Å; A196-H232 PolarHBondContact O-NE2 2.82Å
197R98.9Very high98.7Very high122 Ų12223 Ų2346%0.4612%0.121SC..SBendtrans-67.5-27.9176.4-64.3168.2-173.188.1-6.8112.4G129 I131 E132G129-R197 PolarHBondContact O-NH1 3.48Å; G129-R197 PolarHBondContact O-NH2 3.07Å; I131-R197 VanDerWaalsContact C-NH1 3.28Å; I131-R197 PolarHBondContact O-N 3Å; I131-R197 PolarHBondContact O-NH1 3.4Å; E132-R197 WeakPolarHBondContact OE2-CD 3.15Å; E132-R197 IonicContact OE2-NE 3.64Å
198E98.9Very high98.7Very high0 Ų024 Ų240%013%0.126CC..  trans-148139.8177.6-176.5160.3-138.800110.2Y19 R23 E132 L133 F134 A196 R234Y19-E198 PolarHBondContact OH-OE1 3.43Å; Y19-E198 PolarHBondContact OH-OE2 3.15Å; R23-E198 IonicContact CZ-OE2 2.81Å; R23-E198 IonicContact NE-OE2 2.9Å; R23-E198 PolarHBondContact NE-OE2 3.19Å; R23-E198 IonicContact NH2-OE2 3.04Å; R23-E198 PolarHBondContact NH2-OE2 2.96Å; R23-E198 VanDerWaalsContact NH2-OE2 3.13Å; E132-E198 PolarHBondContact O-N 2.7Å; L133-E198 CarbonylContact C-O 3.51Å; L133-E198 WeakPolarHBondContact CA-O 3.29Å; L133-E198 HydrophobicContact CD1-CB 4.04Å; L133-E198 HydrophobicContact CD1-CG 3.71Å; F134-E198 PolarHBondContact N-O 2.82Å; A196-E198 PolarHBondContact O-N 2.97Å; E198-R234 WeakPolarHBondContact CA-O 3.35Å; E198-R234 HydrophobicContact CB-CG 4.3Å; E198-R234 HydrophobicContact CG-CG 3.99Å; E198-R234 IonicContact OE1-CZ 3.58Å; E198-R234 IonicContact OE1-NE 3.69Å; E198-R234 PolarHBondContact OE1-NE 2.82Å; E198-R234 IonicContact OE1-NH2 2.69Å; E198-R234 PolarHBondContact OE1-NH2 3.48Å; E198-R234 IonicContact OE2-CZ 2.78Å; E198-R234 IonicContact OE2-NE 3.52Å; E198-R234 PolarHBondContact OE2-NE 2.73Å; E198-R234 IonicContact OE2-NH2 2.73Å; E198-R234 PolarHBondContact OE2-NH2 2.85Å
199V98.9Very high98.7Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-118.9133.2175.5178.50000109F134 V193 A196 I201 F229 R234 T235 V236F134-V199 HydrophobicContact CB-CG2 4.42Å; F134-V199 CarbonylContact O-C 3.35Å; F134-V199 WeakPolarHBondContact O-CA 3.41Å; V193-V199 HydrophobicContact CG1-CG1 4.26Å; V193-V199 HydrophobicContact CG1-CG2 4.08Å; V193-V199 WeakPolarHBondContact O-CG2 3.24Å; A196-V199 HydrophobicContact CB-CG2 4.17Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.04Å; V199-F229 HydrophobicContact CB-CD1 4.44Å; V199-F229 HydrophobicContact CB-CE1 4.46Å; V199-F229 HydrophobicContact CG1-CD1 4.15Å; V199-F229 HydrophobicContact CG1-CE1 3.96Å; V199-F229 HydrophobicContact CG1-CE2 4.31Å; V199-F229 HydrophobicContact CG1-CG 4.45Å; V199-F229 HydrophobicContact CG1-CZ 4.05Å; V199-F229 HydrophobicContact CG2-CD1 4.23Å; V199-F229 HydrophobicContact CG2-CE1 4Å; V199-R234 PolarHBondContact N-O 3.32Å; V199-T235 HydrophobicContact CB-CG2 4.24Å; V199-T235 HydrophobicContact CG1-CG2 4.26Å; V199-T235 CarbonylContact O-C 3.54Å; V199-T235 VanDerWaalsContact O-CA 3.31Å; V199-T235 WeakPolarHBondContact O-CA 3.47Å; V199-V236 PolarHBondContact O-N 3.49Å
200M98.9Very high98.6Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-122.7119172.3-176.6172.367.200110.3W15 A16 Y19 I20 L133 F134 V135 G136 V236 V238W15-M200 HydrophobicContact CZ3-SD 4.31Å; A16-M200 HydrophobicContact CB-CE 3.86Å; A16-M200 HydrophobicContact CB-SD 4.18Å; Y19-M200 HydrophobicContact CD1-SD 3.74Å; Y19-M200 HydrophobicContact CG-SD 4.45Å; I20-M200 HydrophobicContact CD1-CE 3.7Å; I20-M200 HydrophobicContact CG1-CE 3.7Å; L133-M200 HydrophobicContact CD1-CB 4.04Å; F134-M200 PolarHBondContact O-N 2.91Å; V135-M200 CarbonylContact C-O 3.55Å; V135-M200 VanDerWaalsContact CA-O 3.3Å; V135-M200 WeakPolarHBondContact CA-O 3.46Å; V135-M200 HydrophobicContact CG1-CE 3.98Å; V135-M200 HydrophobicContact CG2-CE 3.81Å; G136-M200 PolarHBondContact N-O 2.84Å; M200-V236 CarbonylContact C-O 3.59Å; M200-V236 VanDerWaalsContact CA-O 3.24Å; M200-V236 WeakPolarHBondContact CA-O 3.3Å; M200-V236 HydrophobicContact CG-CB 4.44Å; M200-V238 HydrophobicContact CG-CG2 3.98Å; M200-V238 HydrophobicContact SD-CG2 3.9Å
201I98.9Very high98.6Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-107119.4177.8-51.7-57.8000109.2G136 I138 I144 V199 I203 F229 V236 F237 V238G136-I201 WeakPolarHBondContact O-CA 3.09Å; I138-I201 HydrophobicContact CB-CG2 4.46Å; I144-I201 HydrophobicContact CD1-CD1 3.9Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.04Å; I201-I203 HydrophobicContact CG2-CD1 3.83Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I201-F229 HydrophobicContact CD1-CD2 4.35Å; I201-F229 HydrophobicContact CD1-CE2 3.92Å; I201-F229 HydrophobicContact CG1-CD2 4.28Å; I201-F229 HydrophobicContact CG1-CE2 4.35Å; I201-V236 PolarHBondContact N-O 3.07Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.88Å; I201-F237 HydrophobicContact CG1-CD1 4.19Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.19Å; I201-F237 HydrophobicContact CG2-CE1 4.26Å; I201-F237 WeakPolarHBondContact O-CA 3.38Å; I201-V238 PolarHBondContact O-N 2.89Å
202L98.8Very high98.6Very high5 Ų528.5 Ų28.53%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-94.9126.7175.9-176.463.1000110.1A12 A16 T44 C48 G136 T204 V238A12-L202 HydrophobicContact CB-CD1 4.13Å; A16-L202 HydrophobicContact CB-CD1 4.3Å; T44-L202 HydrophobicContact CG2-CB 4.11Å; T44-L202 HydrophobicContact CG2-CD2 3.88Å; T44-L202 HydrophobicContact CG2-CG 3.66Å; T44-L202 WeakPolarHBondContact CG2-O 3.21Å; T44-L202 WeakPolarHBondContact O-CD2 3.3Å; C48-L202 HydrophobicContact CB-CD2 4.47Å; G136-L202 PolarHBondContact O-N 2.87Å; L202-T204 HydrophobicContact CD1-CG2 4.35Å; L202-V238 CarbonylContact C-O 3.58Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.94Å; L202-V238 HydrophobicContact CD1-CG1 3.89Å
203I98.8Very high98.6Very high1 Ų131.3 Ų31.31%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-137.4114.4-171-49.6179.7000109.7I138 I201 K208 L212 F237 V238 C239 D240 A243I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.39Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.61Å; I138-I203 HydrophobicContact CG2-CG2 3.55Å; I201-I203 HydrophobicContact CG2-CD1 3.83Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I203-K208 HydrophobicContact CG2-CB 3.67Å; I203-K208 HydrophobicContact CG2-CG 4.44Å; I203-L212 HydrophobicContact CD1-CB 4.47Å; I203-L212 HydrophobicContact CD1-CD1 3.6Å; I203-L212 HydrophobicContact CD1-CD2 4.4Å; I203-L212 HydrophobicContact CD1-CG 4.36Å; I203-F237 HydrophobicContact CD1-CD1 3.81Å; I203-F237 HydrophobicContact CD1-CE1 4.43Å; I203-V238 PolarHBondContact N-O 2.78Å; I203-C239 HydrophobicContact CB-CB 4.15Å; I203-C239 WeakPolarHBondContact O-CA 3.48Å; I203-C239 WeakPolarHBondContact O-CB 3.49Å; I203-D240 PolarHBondContact O-N 2.66Å; I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.84Å
204T98.6Very high98.6Very high8 Ų832.9 Ų32.95%0.04916%0.162CC..  trans-136136.7-175.358.90000112.4Y9 A12 L202 H207 D240Y9-T204 HydrophobicContact CD2-CG2 3.83Å; A12-T204 HydrophobicContact CB-CG2 4Å; L202-T204 HydrophobicContact CD1-CG2 4.35Å; T204-H207 PolarHBondContact O-CE1 3.34Å; T204-H207 VanDerWaalsContact O-CE1 3.29Å; T204-D240 WeakPolarHBondContact CA-OD1 3.36Å; T204-D240 WeakPolarHBondContact CA-OD2 3.06Å; T204-D240 WeakPolarHBondContact CB-OD2 3.38Å
205G98.2Very high98.6Very high12 Ų1230.7 Ų30.712%0.12415%0.151CC..SBendtrans92.1151.9174.800000114.7H207 K208 D240G205-H207 PolarHBondContact O-N 2.92Å; G205-H207 VanDerWaalsContact O-N 3.14Å; G205-K208 PolarHBondContact O-N 3.39Å; G205-D240 PolarHBondContact N-OD1 2.96Å; G205-D240 PolarHBondContact N-OD2 3.1Å
206A98.4Very high98.6Very high51 Ų5126.7 Ų26.742%0.42113%0.129SC..G310 helixtrans-58.3-33-173.200000113.8K208 A209 D242 L245A206-K208 PolarHBondContact O-N 3.41Å; A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.2Å; A206-A209 PolarHBondContact O-N 3.29Å; A206-D242 WeakPolarHBondContact CA-O 3.42Å; A206-D242 HydrophobicContact CB-CB 4.31Å; A206-L245 HydrophobicContact CB-CD1 3.62Å
207H96.3Very high98.6Very high116 Ų11628.2 Ų28.254%0.53714%0.135SC..G310 helixtrans-62-7.717769.1-72.7000114.4T204 G205T204-H207 PolarHBondContact O-CE1 3.34Å; T204-H207 VanDerWaalsContact O-CE1 3.29Å; G205-H207 PolarHBondContact O-N 2.92Å; G205-H207 VanDerWaalsContact O-N 3.14Å
208K98.3Very high98.6Very high23 Ų2325.4 Ų25.410%0.113%0.128CC..G310 helixtrans-110.3-2.8174.3-57.9-58.4-177.564.30113.8I138 P140 I203 G205 A206 F210 A211 L212I138-K208 HydrophobicContact CG2-CB 4.31Å; I138-K208 HydrophobicContact CG2-CD 4.4Å; I138-K208 HydrophobicContact CG2-CG 4.49Å; I138-K208 WeakPolarHBondContact O-CD 3.41Å; I138-K208 WeakPolarHBondContact O-CE 3.38Å; I138-K208 PolarHBondContact O-NZ 2.93Å; P140-K208 HydrophobicContact CG-CD 4.4Å; I203-K208 HydrophobicContact CG2-CB 3.67Å; I203-K208 HydrophobicContact CG2-CG 4.44Å; G205-K208 PolarHBondContact O-N 3.39Å; A206-K208 PolarHBondContact O-N 3.41Å; K208-F210 PolarHBondContact O-N 2.95Å; K208-A211 PolarHBondContact O-N 3.45Å; K208-L212 PolarHBondContact O-N 3.28Å
209A98.8Very high98.6Very high2 Ų227.6 Ų27.62%0.01715%0.15CC..Hα-helixtrans-61.7-43.3-173.200000112.8A206 L212 Y213 A243 L245 E246A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.2Å; A206-A209 PolarHBondContact O-N 3.29Å; A209-L212 PolarHBondContact O-N 3Å; A209-Y213 PolarHBondContact O-N 2.9Å; A209-A243 VanDerWaalsContact CA-O 3.27Å; A209-A243 WeakPolarHBondContact CA-O 3.37Å; A209-L245 HydrophobicContact CB-CB 4.01Å; A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.86Å
210F98.6Very high98.6Very high98 Ų9830.4 Ų30.443%0.4317%0.167SC..Hα-helixtrans-64.5-42.6178.4-171.1-108.6000112.5K208 L212 Y213 K214 W224 E246K208-F210 PolarHBondContact O-N 2.95Å; F210-L212 VanDerWaalsContact C-N 3.32Å; F210-L212 PolarHBondContact O-N 3.4Å; F210-Y213 HydrophobicContact CD2-CD1 4.24Å; F210-Y213 HydrophobicContact CE2-CD1 4.21Å; F210-Y213 HydrophobicContact CE2-CE1 4.43Å; F210-Y213 WeakPolarHBondContact O-CB 3.48Å; F210-Y213 PolarHBondContact O-N 3.46Å; F210-K214 HydrophobicContact CD1-CG 4.22Å; F210-K214 HydrophobicContact CE1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CG 3.96Å; F210-K214 HydrophobicContact CZ-CD 4.32Å; F210-K214 HydrophobicContact CZ-CG 4.22Å; F210-K214 WeakPolarHBondContact O-CG 3.39Å; F210-K214 PolarHBondContact O-N 3.03Å; F210-W224 AromaticContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CZ3 4.24Å; F210-W224 AromaticContact CE1-CH2 3.57Å; F210-W224 HydrophobicContact CE1-CH2 3.57Å; F210-W224 AromaticContact CE1-CZ2 3.99Å; F210-W224 HydrophobicContact CE1-CZ2 3.99Å; F210-W224 HydrophobicContact CE1-CZ3 4.36Å; F210-E246 HydrophobicContact CB-CG 4.3Å; F210-E246 HydrophobicContact CD2-CG 4.49Å
211A98.5Very high98.5Very high1 Ų133.5 Ų33.51%0.00818%0.184CC..Hα-helixtrans-62.5-40.217600000111.7I138 G139 K208 K214 A215I138-A211 HydrophobicContact CD1-CB 3.65Å; I138-A211 HydrophobicContact CG1-CB 3.97Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.44Å; K208-A211 PolarHBondContact O-N 3.45Å; A211-K214 PolarHBondContact O-N 2.99Å; A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 2.68Å
212L98.9Very high98.5Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-62.2-48.9174.5-179.851.6000111.1I203 K208 A209 F210 K214 A215 I216 F237 C239 A243 L247I203-L212 HydrophobicContact CD1-CB 4.47Å; I203-L212 HydrophobicContact CD1-CD1 3.6Å; I203-L212 HydrophobicContact CD1-CD2 4.4Å; I203-L212 HydrophobicContact CD1-CG 4.36Å; K208-L212 PolarHBondContact O-N 3.28Å; A209-L212 PolarHBondContact O-N 3Å; F210-L212 VanDerWaalsContact C-N 3.32Å; F210-L212 PolarHBondContact O-N 3.4Å; L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 3.11Å; L212-A215 PolarHBondContact O-N 3.23Å; L212-A215 VanDerWaalsContact O-N 3.1Å; L212-I216 HydrophobicContact CD1-CD1 3.74Å; L212-I216 HydrophobicContact CD1-CG1 4.09Å; L212-I216 HydrophobicContact CD1-CG2 3.9Å; L212-I216 HydrophobicContact CG-CD1 4.13Å; L212-I216 WeakPolarHBondContact O-CG1 3.16Å; L212-I216 PolarHBondContact O-N 3.33Å; L212-F237 HydrophobicContact CD1-CD1 4.41Å; L212-C239 HydrophobicContact CD2-CB 4.41Å; L212-A243 HydrophobicContact CD2-CB 4.39Å; L212-A243 WeakPolarHBondContact CD2-O 3.21Å; L212-L247 HydrophobicContact CD2-CD1 4.1Å; L212-L247 HydrophobicContact CG-CD1 4.39Å; L212-L247 HydrophobicContact CG-CD2 4.3Å
213Y98.9Very high98.5Very high63 Ų6341.5 Ų41.525%0.24722%0.222CC..Hα-helixtrans-52.1-51.1174.5158.8-97000111.8A209 F210 A215 I216 E217 E218 E246A209-Y213 PolarHBondContact O-N 2.9Å; F210-Y213 HydrophobicContact CD2-CD1 4.24Å; F210-Y213 HydrophobicContact CE2-CD1 4.21Å; F210-Y213 HydrophobicContact CE2-CE1 4.43Å; F210-Y213 WeakPolarHBondContact O-CB 3.48Å; F210-Y213 PolarHBondContact O-N 3.46Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 2.86Å; Y213-I216 PolarHBondContact O-N 3.4Å; Y213-E217 HydrophobicContact CD2-CB 3.82Å; Y213-E217 HydrophobicContact CD2-CG 4.24Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.28Å; Y213-E217 HydrophobicContact CE2-CB 3.93Å; Y213-E217 WeakPolarHBondContact O-CB 3.4Å; Y213-E217 PolarHBondContact O-N 2.9Å; Y213-E218 HydrophobicContact CE1-CG 4Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.34Å; Y213-E218 PolarHBondContact O-N 3.38Å; Y213-E218 PolarHBondContact OH-OE1 2.95Å; Y213-E246 WeakPolarHBondContact CD2-O 3.39Å; Y213-E246 HydrophobicContact CG-CB 4.33Å
214K98.9Very high98.5Very high34 Ų3443.6 Ų43.615%0.14823%0.23CC..Hα-helixtrans-59.7-38.8177.4-71.6-64.5-166.4-178.20112.9F210 A211 L212 E218 W224F210-K214 HydrophobicContact CD1-CG 4.22Å; F210-K214 HydrophobicContact CE1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CG 3.96Å; F210-K214 HydrophobicContact CZ-CD 4.32Å; F210-K214 HydrophobicContact CZ-CG 4.22Å; F210-K214 WeakPolarHBondContact O-CG 3.39Å; F210-K214 PolarHBondContact O-N 3.03Å; A211-K214 PolarHBondContact O-N 2.99Å; L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 3.11Å; K214-E218 HydrophobicContact CD-CG 4.23Å; K214-E218 WeakPolarHBondContact CD-OE2 3.44Å; K214-E218 IonicContact NZ-OE1 3.43Å; K214-E218 PolarHBondContact NZ-OE1 2.87Å; K214-E218 IonicContact NZ-OE2 2.81Å; K214-E218 PolarHBondContact NZ-OE2 2.86Å; K214-W224 HydrophobicContact CB-CB 4.24Å; K214-W224 HydrophobicContact CB-CD2 3.4Å; K214-W224 HydrophobicContact CB-CE3 3.54Å; K214-W224 HydrophobicContact CB-CG 3.68Å; K214-W224 HydrophobicContact CB-CZ2 4.47Å; K214-W224 HydrophobicContact CB-CZ3 4.17Å; K214-W224 HydrophobicContact CD-CD2 4.21Å; K214-W224 HydrophobicContact CD-CZ2 4.02Å; K214-W224 HydrophobicContact CG-CD2 3.61Å; K214-W224 HydrophobicContact CG-CE3 3.74Å; K214-W224 HydrophobicContact CG-CG 4.26Å; K214-W224 HydrophobicContact CG-CH2 3.91Å; K214-W224 HydrophobicContact CG-CZ2 3.72Å; K214-W224 HydrophobicContact CG-CZ3 3.9Å
215A98.6Very high98.5Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-73.5-31.5-177.200000114I138 A211 L212 Y213 V226 S227 Q230I138-A215 HydrophobicContact CD1-CB 4.1Å; A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 2.68Å; L212-A215 PolarHBondContact O-N 3.23Å; L212-A215 VanDerWaalsContact O-N 3.1Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 2.86Å; A215-V226 HydrophobicContact CB-CB 3.98Å; A215-V226 HydrophobicContact CB-CG1 3.77Å; A215-S227 WeakPolarHBondContact O-CA 3.21Å; A215-Q230 PolarHBondContact O-NE2 2.95Å
216I98.8Very high98.5Very high20 Ų2042.7 Ų42.710%0.10322%0.222CC..Hα-helixtrans-123.2-18.4-170.276.3173.4000115.9M1 L3 L212 Y213 F237 L247M1-I216 HydrophobicContact CE-CB 4.02Å; M1-I216 HydrophobicContact CE-CD1 3.97Å; M1-I216 HydrophobicContact CE-CG1 4.39Å; M1-I216 HydrophobicContact SD-CB 4.01Å; M1-I216 HydrophobicContact SD-CD1 4.5Å; M1-I216 HydrophobicContact SD-CG2 3.95Å; L3-I216 HydrophobicContact CD2-CD1 4.03Å; L212-I216 HydrophobicContact CD1-CD1 3.74Å; L212-I216 HydrophobicContact CD1-CG1 4.09Å; L212-I216 HydrophobicContact CD1-CG2 3.9Å; L212-I216 HydrophobicContact CG-CD1 4.13Å; L212-I216 WeakPolarHBondContact O-CG1 3.16Å; L212-I216 PolarHBondContact O-N 3.33Å; Y213-I216 PolarHBondContact O-N 3.4Å; I216-F237 HydrophobicContact CG2-CD2 4.42Å; I216-F237 HydrophobicContact CG2-CE1 4.23Å; I216-F237 HydrophobicContact CG2-CE2 4.04Å; I216-F237 HydrophobicContact CG2-CZ 3.93Å; I216-L247 HydrophobicContact CD1-CD1 4.1Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.05Å
217E98.8Very high98.6Very high36 Ų3640.3 Ų40.317%0.16820%0.202CC..THydrogen-bonded Turntrans-106.6-27.3177.6-62.1-153.5138.600113.7Y213 L247 K248 T251Y213-E217 HydrophobicContact CD2-CB 3.82Å; Y213-E217 HydrophobicContact CD2-CG 4.24Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.28Å; Y213-E217 HydrophobicContact CE2-CB 3.93Å; Y213-E217 WeakPolarHBondContact O-CB 3.4Å; Y213-E217 PolarHBondContact O-N 2.9Å; E217-L247 HydrophobicContact CG-CD2 3.85Å; E217-K248 WeakPolarHBondContact OE1-CB 3.45Å; E217-K248 WeakPolarHBondContact OE1-CE 3.32Å; E217-K248 PolarHBondContact OE1-N 3.34Å; E217-K248 VanDerWaalsContact OE1-N 3.15Å; E217-K248 VanDerWaalsContact OE2-CE 3.28Å; E217-K248 WeakPolarHBondContact OE2-CE 3.2Å; E217-K248 WeakPolarHBondContact OE2-CG 3.33Å; E217-K248 PolarHBondContact OE2-N 2.88Å; E217-T251 WeakPolarHBondContact OE1-CB 3.33Å; E217-T251 PolarHBondContact OE1-OG1 3.18Å
218E98.8Very high98.7Very high64 Ų6434.9 Ų34.930%0.29918%0.177SC..SBendtrans-84.6-177.9165-65.2-167.6-175.100111.2Y213 K214 Q230Y213-E218 HydrophobicContact CE1-CG 4Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.34Å; Y213-E218 PolarHBondContact O-N 3.38Å; Y213-E218 PolarHBondContact OH-OE1 2.95Å; K214-E218 HydrophobicContact CD-CG 4.23Å; K214-E218 WeakPolarHBondContact CD-OE2 3.44Å; K214-E218 IonicContact NZ-OE1 3.43Å; K214-E218 PolarHBondContact NZ-OE1 2.87Å; K214-E218 IonicContact NZ-OE2 2.81Å; K214-E218 PolarHBondContact NZ-OE2 2.86Å; E218-Q230 PolarHBondContact O-NE2 2.91Å
219G98.3Very high98.7Very high46 Ų4633.9 Ų33.947%0.47417%0.173SC..  trans-86.4169.8-178.300000113.8N221G219-N221 PolarHBondContact O-N 2.62Å
220V98.8Very high98.7Very high59 Ų5937.8 Ų37.836%0.35819%0.191SC..  trans-54119.5170.2178.90000110.2L153 Q230 Q231L153-V220 HydrophobicContact CD1-CG1 3.39Å; V220-Q230 HydrophobicContact CG2-CB 4.04Å; V220-Q231 HydrophobicContact CG2-CG 4.02Å
221N98.6Very high98.7Very high64 Ų6439.6 Ų39.634%0.34220%0.201SC..  trans-151.2130.3-176.2-170.7-28.1000111.1G219 M223 W224 S227G219-N221 PolarHBondContact O-N 2.62Å; N221-M223 PolarHBondContact O-N 2.79Å; N221-M223 VanDerWaalsContact O-N 3.11Å; N221-M223 WeakPolarHBondContact OD1-CB 3.17Å; N221-M223 WeakPolarHBondContact OD1-CG 3.41Å; N221-M223 PolarHBondContact OD1-N 2.93Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 PolarHBondContact O-N 3.37Å; N221-W224 VanDerWaalsContact O-O 3.13Å; N221-S227 PolarHBondContact N-OG 3.23Å; N221-S227 PolarHBondContact O-OG 3.44Å
222H98.4Very high98.7Very high90 Ų9040 Ų4042%0.41720%0.203SC..THydrogen-bonded Turntrans-66.3-8.9178.275.7159.6000115.2G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 3.35Å; G150-H222 PolarHBondContact O-ND1 3.45Å; S151-H222 WeakPolarHBondContact O-CB 3.43Å; L153-H222 HydrophobicContact CD2-CB 4.01Å; L153-H222 HydrophobicContact CG-CB 4.02Å; H222-W224 VanDerWaalsContact C-N 3.33Å; H222-T225 WeakPolarHBondContact O-CG2 3.34Å
223M98.5Very high98.7Very high83 Ų8346 Ų4641%0.40924%0.241SC..THydrogen-bonded Turntrans-77.3-20.2170.8-63.5-55.6-7000112.9P149 N221P149-M223 HydrophobicContact CB-CE 3.64Å; P149-M223 HydrophobicContact CB-SD 4.08Å; N221-M223 PolarHBondContact O-N 2.79Å; N221-M223 VanDerWaalsContact O-N 3.11Å; N221-M223 WeakPolarHBondContact OD1-CB 3.17Å; N221-M223 WeakPolarHBondContact OD1-CG 3.41Å; N221-M223 PolarHBondContact OD1-N 2.93Å
224W98.6Very high98.7Very high46 Ų4648 Ų4817%0.17425%0.248CC..SBendtrans-132.776.6-179.9-53.793.1000107.4D141 G142 F210 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.45Å; D141-W224 VanDerWaalsContact C-CZ3 3.46Å; D141-W224 WeakPolarHBondContact O-CZ3 3.27Å; G142-W224 CarbonylContact O-C 3.3Å; F210-W224 AromaticContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CH2 3.85Å; F210-W224 HydrophobicContact CD1-CZ3 4.24Å; F210-W224 AromaticContact CE1-CH2 3.57Å; F210-W224 HydrophobicContact CE1-CH2 3.57Å; F210-W224 AromaticContact CE1-CZ2 3.99Å; F210-W224 HydrophobicContact CE1-CZ2 3.99Å; F210-W224 HydrophobicContact CE1-CZ3 4.36Å; K214-W224 HydrophobicContact CB-CB 4.24Å; K214-W224 HydrophobicContact CB-CD2 3.4Å; K214-W224 HydrophobicContact CB-CE3 3.54Å; K214-W224 HydrophobicContact CB-CG 3.68Å; K214-W224 HydrophobicContact CB-CZ2 4.47Å; K214-W224 HydrophobicContact CB-CZ3 4.17Å; K214-W224 HydrophobicContact CD-CD2 4.21Å; K214-W224 HydrophobicContact CD-CZ2 4.02Å; K214-W224 HydrophobicContact CG-CD2 3.61Å; K214-W224 HydrophobicContact CG-CE3 3.74Å; K214-W224 HydrophobicContact CG-CG 4.26Å; K214-W224 HydrophobicContact CG-CH2 3.91Å; K214-W224 HydrophobicContact CG-CZ2 3.72Å; K214-W224 HydrophobicContact CG-CZ3 3.9Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 PolarHBondContact O-N 3.37Å; N221-W224 VanDerWaalsContact O-O 3.13Å; H222-W224 VanDerWaalsContact C-N 3.33Å; W224-V226 PolarHBondContact O-N 3.39Å; W224-V226 VanDerWaalsContact O-N 3.08Å; W224-S227 WeakPolarHBondContact O-CB 3.37Å; W224-S227 PolarHBondContact O-N 2.82Å; W224-S227 PolarHBondContact O-OG 3.48Å
225T98.8Very high98.7Very high1 Ų146.5 Ų46.51%0.00624%0.242CC..G310 helixtrans-64.2-21.6-16156.20000114.6G142 H143 I144 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-N 2.93Å; G142-T225 VanDerWaalsContact O-N 3.08Å; H143-T225 WeakPolarHBondContact CA-OG1 3.42Å; I144-T225 PolarHBondContact N-OG1 3.48Å; I144-T225 VanDerWaalsContact N-OG1 3.08Å; N147-T225 HydrophobicContact CB-CG2 4.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.2Å; N147-T225 PolarHBondContact O-OG1 3.36Å; L153-T225 HydrophobicContact CD2-CG2 4.16Å; V190-T225 HydrophobicContact CG2-CG2 4.27Å; H222-T225 WeakPolarHBondContact O-CG2 3.34Å; T225-S227 PolarHBondContact O-N 3.02Å; T225-A228 WeakPolarHBondContact O-CB 3.46Å; T225-A228 PolarHBondContact O-N 2.81Å; T225-A228 VanDerWaalsContact O-N 3.08Å
226V98.8Very high98.7Very high0 Ų046.6 Ų46.60%024%0.242CC..G310 helixtrans-59.8-25.2168.6174.90000112.5I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CB-CG2 4.18Å; I138-V226 HydrophobicContact CD1-CB 4.05Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.04Å; I138-V226 HydrophobicContact CG1-CB 4.35Å; I138-V226 HydrophobicContact CG1-CG2 3.78Å; G142-V226 WeakPolarHBondContact O-CG2 3.24Å; G142-V226 PolarHBondContact O-N 2.93Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; A215-V226 HydrophobicContact CB-CB 3.98Å; A215-V226 HydrophobicContact CB-CG1 3.77Å; W224-V226 PolarHBondContact O-N 3.39Å; W224-V226 VanDerWaalsContact O-N 3.08Å; V226-A228 PolarHBondContact O-N 3Å; V226-A228 VanDerWaalsContact O-N 3.12Å; V226-F229 HydrophobicContact CB-CD2 4.44Å; V226-F229 HydrophobicContact CG1-CD2 3.98Å; V226-F229 HydrophobicContact CG1-CE2 4.45Å; V226-F229 WeakPolarHBondContact O-CD2 3.25Å; V226-F229 PolarHBondContact O-N 2.87Å; V226-F229 VanDerWaalsContact O-N 3.09Å; V226-F237 HydrophobicContact CG1-CE1 3.65Å; V226-F237 HydrophobicContact CG1-CZ 4.11Å
227S98.9Very high98.8Very high0 Ų045.8 Ų45.80%024%0.238CC..G310 helixtrans-60.2-19.717469.80000113.6A215 N221 W224 T225 F229 Q230A215-S227 WeakPolarHBondContact O-CA 3.21Å; N221-S227 PolarHBondContact N-OG 3.23Å; N221-S227 PolarHBondContact O-OG 3.44Å; W224-S227 WeakPolarHBondContact O-CB 3.37Å; W224-S227 PolarHBondContact O-N 2.82Å; W224-S227 PolarHBondContact O-OG 3.48Å; T225-S227 PolarHBondContact O-N 3.02Å; S227-F229 PolarHBondContact O-N 3.05Å; S227-Q230 WeakPolarHBondContact O-CB 3.26Å; S227-Q230 VanDerWaalsContact O-CG 3.29Å; S227-Q230 WeakPolarHBondContact O-CG 3.32Å; S227-Q230 PolarHBondContact O-N 2.96Å; S227-Q230 VanDerWaalsContact O-N 3.09Å
228A98.9Very high98.8Very high3 Ų344.1 Ų44.13%0.02523%0.23CC..G310 helixtrans-55.4-33.8173.200000112.3L153 V190 M194 T225 V226 Q230 Q231L153-A228 HydrophobicContact CD2-CB 4.15Å; V190-A228 HydrophobicContact CG1-CB 3.54Å; M194-A228 HydrophobicContact SD-CB 4.24Å; T225-A228 WeakPolarHBondContact O-CB 3.46Å; T225-A228 PolarHBondContact O-N 2.81Å; T225-A228 VanDerWaalsContact O-N 3.08Å; V226-A228 PolarHBondContact O-N 3Å; V226-A228 VanDerWaalsContact O-N 3.12Å; A228-Q230 PolarHBondContact O-N 2.88Å; A228-Q230 VanDerWaalsContact O-N 3.1Å; A228-Q231 PolarHBondContact O-N 2.92Å
229F98.9Very high98.8Very high2 Ų241 Ų411%0.00922%0.216CC..G310 helixtrans-70.3-5.2-178.5-58.9-54.8000114.4I144 V193 M194 V199 I201 V226 S227 Q231 H232 T235 F237I144-F229 HydrophobicContact CB-CE2 4.09Å; I144-F229 HydrophobicContact CB-CZ 4.37Å; I144-F229 HydrophobicContact CD1-CE2 4.32Å; I144-F229 HydrophobicContact CD1-CZ 4.48Å; I144-F229 HydrophobicContact CG1-CE2 3.98Å; I144-F229 HydrophobicContact CG1-CZ 3.93Å; I144-F229 HydrophobicContact CG2-CE2 4.25Å; I144-F229 HydrophobicContact CG2-CZ 4.29Å; V193-F229 HydrophobicContact CB-CE1 4.18Å; V193-F229 HydrophobicContact CB-CZ 4.03Å; V193-F229 HydrophobicContact CG1-CE1 3.71Å; V193-F229 HydrophobicContact CG1-CZ 3.49Å; V193-F229 VanDerWaalsContact CG1-CZ 3.49Å; M194-F229 HydrophobicContact CG-CD1 4.42Å; M194-F229 HydrophobicContact CG-CE1 4.15Å; M194-F229 HydrophobicContact SD-CD1 3.5Å; M194-F229 WeakPolarHBondContact SD-CD1 3.39Å; M194-F229 HydrophobicContact SD-CE1 3.83Å; M194-F229 HydrophobicContact SD-CG 4.49Å; V199-F229 HydrophobicContact CB-CD1 4.44Å; V199-F229 HydrophobicContact CB-CE1 4.46Å; V199-F229 HydrophobicContact CG1-CD1 4.15Å; V199-F229 HydrophobicContact CG1-CE1 3.96Å; V199-F229 HydrophobicContact CG1-CE2 4.31Å; V199-F229 HydrophobicContact CG1-CG 4.45Å; V199-F229 HydrophobicContact CG1-CZ 4.05Å; V199-F229 HydrophobicContact CG2-CD1 4.23Å; V199-F229 HydrophobicContact CG2-CE1 4Å; I201-F229 HydrophobicContact CD1-CD2 4.35Å; I201-F229 HydrophobicContact CD1-CE2 3.92Å; I201-F229 HydrophobicContact CG1-CD2 4.28Å; I201-F229 HydrophobicContact CG1-CE2 4.35Å; V226-F229 HydrophobicContact CB-CD2 4.44Å; V226-F229 HydrophobicContact CG1-CD2 3.98Å; V226-F229 HydrophobicContact CG1-CE2 4.45Å; V226-F229 WeakPolarHBondContact O-CD2 3.25Å; V226-F229 PolarHBondContact O-N 2.87Å; V226-F229 VanDerWaalsContact O-N 3.09Å; S227-F229 PolarHBondContact O-N 3.05Å; F229-Q231 PolarHBondContact O-N 3.42Å; F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.08Å; F229-H232 PolarHBondContact O-N 3.46Å; F229-T235 HydrophobicContact CB-CG2 3.91Å; F229-T235 HydrophobicContact CG-CG2 4.34Å; F229-F237 HydrophobicContact CB-CZ 4.33Å
230Q98.8Very high98.8Very high83 Ų8339.2 Ų39.239%0.38820%0.196SC..G310 helixtrans-59.7-27.3164.6-65.7-177.323.200111.7A215 E218 V220 S227 A228A215-Q230 PolarHBondContact O-NE2 2.95Å; E218-Q230 PolarHBondContact O-NE2 2.91Å; V220-Q230 HydrophobicContact CG2-CB 4.04Å; S227-Q230 WeakPolarHBondContact O-CB 3.26Å; S227-Q230 VanDerWaalsContact O-CG 3.29Å; S227-Q230 WeakPolarHBondContact O-CG 3.32Å; S227-Q230 PolarHBondContact O-N 2.96Å; S227-Q230 VanDerWaalsContact O-N 3.09Å; A228-Q230 PolarHBondContact O-N 2.88Å; A228-Q230 VanDerWaalsContact O-N 3.1Å
231Q98.8Very high98.8Very high137 Ų13738.9 Ų38.964%0.6419%0.19SC*.G310 helixtrans-98.10.3178.6-61.2-178.897.400113.2M194 V220 A228 F229M194-Q231 HydrophobicContact CE-CB 4.32Å; V220-Q231 HydrophobicContact CG2-CG 4.02Å; A228-Q231 PolarHBondContact O-N 2.92Å; F229-Q231 PolarHBondContact O-N 3.42Å
232H98.9Very high98.8Very high10 Ų1040 Ų405%0.04620%0.196CC..  trans-83.8133.2177.7-175.5-97.4000110.3M194 A196 F229 R234 T235M194-H232 HydrophobicContact CE-CB 3.98Å; M194-H232 PolarHBondContact O-CD2 3.37Å; M194-H232 PolarHBondContact O-NE2 3.08Å; M194-H232 HydrophobicContact SD-CB 3.77Å; A196-H232 PolarHBondContact O-NE2 2.82Å; F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.08Å; F229-H232 PolarHBondContact O-N 3.46Å; H232-R234 PolarHBondContact CE1-O 3.05Å; H232-R234 PolarHBondContact ND1-N 2.8Å; H232-R234 VanDerWaalsContact ND1-N 3.16Å; H232-R234 PolarHBondContact ND1-O 3.49Å; H232-R234 VanDerWaalsContact ND1-O 3.16Å; H232-R234 PolarHBondContact O-N 2.92Å; H232-R234 VanDerWaalsContact O-N 3.16Å; H232-T235 WeakPolarHBondContact CB-OG1 3.32Å; H232-T235 PolarHBondContact ND1-OG1 3.12Å
233P98.7Very high98.8Very high125 Ų12535.7 Ų35.781%0.81218%0.176SC*.THydrogen-bonded Turntrans-65-24-173.525.4-35.8000113.4
234R98.9Very high98.8Very high104 Ų10432.3 Ų32.339%0.39216%0.16SC..THydrogen-bonded Turntrans-145.476.4-172.6-164.6177.5172168.8-6.7113.1E198 V199 H232E198-R234 WeakPolarHBondContact CA-O 3.35Å; E198-R234 HydrophobicContact CB-CG 4.3Å; E198-R234 HydrophobicContact CG-CG 3.99Å; E198-R234 IonicContact OE1-CZ 3.58Å; E198-R234 IonicContact OE1-NE 3.69Å; E198-R234 PolarHBondContact OE1-NE 2.82Å; E198-R234 IonicContact OE1-NH2 2.69Å; E198-R234 PolarHBondContact OE1-NH2 3.48Å; E198-R234 IonicContact OE2-CZ 2.78Å; E198-R234 IonicContact OE2-NE 3.52Å; E198-R234 PolarHBondContact OE2-NE 2.73Å; E198-R234 IonicContact OE2-NH2 2.73Å; E198-R234 PolarHBondContact OE2-NH2 2.85Å; V199-R234 PolarHBondContact N-O 3.32Å; H232-R234 PolarHBondContact CE1-O 3.05Å; H232-R234 PolarHBondContact ND1-N 2.8Å; H232-R234 VanDerWaalsContact ND1-N 3.16Å; H232-R234 PolarHBondContact ND1-O 3.49Å; H232-R234 VanDerWaalsContact ND1-O 3.16Å; H232-R234 PolarHBondContact O-N 2.92Å; H232-R234 VanDerWaalsContact O-N 3.16Å
235T98.9Very high98.8Very high4 Ų435.5 Ų35.53%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-111.8134.5174.5-56.60000112.4M1 K2 V199 F229 H232 F237M1-T235 CarbonylContact C-O 3.58Å; M1-T235 VanDerWaalsContact CA-O 3.26Å; M1-T235 WeakPolarHBondContact CA-O 3.21Å; K2-T235 PolarHBondContact N-O 3.46Å; V199-T235 HydrophobicContact CB-CG2 4.24Å; V199-T235 HydrophobicContact CG1-CG2 4.26Å; V199-T235 CarbonylContact O-C 3.54Å; V199-T235 VanDerWaalsContact O-CA 3.31Å; V199-T235 WeakPolarHBondContact O-CA 3.47Å; F229-T235 HydrophobicContact CB-CG2 3.91Å; F229-T235 HydrophobicContact CG-CG2 4.34Å; H232-T235 WeakPolarHBondContact CB-OG1 3.32Å; H232-T235 PolarHBondContact ND1-OG1 3.12Å; 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 Ų140.4 Ų40.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-114.8125.3172.8-174.10000109.1K2 I4 W15 V199 M200 I201 V238K2-V236 HydrophobicContact CB-CG1 4.39Å; K2-V236 HydrophobicContact CB-CG2 4.39Å; K2-V236 HydrophobicContact CD-CG2 4.32Å; K2-V236 CarbonylContact O-C 3.58Å; K2-V236 WeakPolarHBondContact O-CA 3.36Å; I4-V236 HydrophobicContact CD1-CG1 4.39Å; I4-V236 HydrophobicContact CG1-CG1 3.79Å; W15-V236 HydrophobicContact CH2-CG1 4.08Å; W15-V236 HydrophobicContact CZ3-CG1 4.1Å; V199-V236 PolarHBondContact O-N 3.49Å; M200-V236 CarbonylContact C-O 3.59Å; M200-V236 VanDerWaalsContact CA-O 3.24Å; M200-V236 WeakPolarHBondContact CA-O 3.3Å; M200-V236 HydrophobicContact CG-CB 4.44Å; I201-V236 PolarHBondContact N-O 3.07Å; V236-V238 HydrophobicContact CG1-CG2 4Å
237F98.9Very high98.8Very high4 Ų441.1 Ų41.12%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-101.6126169.1-67.7-87.5000108.1M1 K2 L3 I4 I201 I203 L212 I216 V226 F229 T235M1-F237 HydrophobicContact CB-CD2 4.06Å; M1-F237 HydrophobicContact CB-CE2 4.02Å; M1-F237 HydrophobicContact CG-CD2 4.49Å; M1-F237 HydrophobicContact SD-CD2 3.87Å; M1-F237 HydrophobicContact SD-CE2 3.9Å; K2-F237 PolarHBondContact O-N 2.81Å; L3-F237 CarbonylContact C-O 3.5Å; L3-F237 WeakPolarHBondContact CA-O 3.44Å; L3-F237 HydrophobicContact CD1-CB 3.54Å; I4-F237 PolarHBondContact N-O 2.77Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.88Å; I201-F237 HydrophobicContact CG1-CD1 4.19Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.19Å; I201-F237 HydrophobicContact CG2-CE1 4.26Å; I201-F237 WeakPolarHBondContact O-CA 3.38Å; I203-F237 HydrophobicContact CD1-CD1 3.81Å; I203-F237 HydrophobicContact CD1-CE1 4.43Å; L212-F237 HydrophobicContact CD1-CD1 4.41Å; I216-F237 HydrophobicContact CG2-CD2 4.42Å; I216-F237 HydrophobicContact CG2-CE1 4.23Å; I216-F237 HydrophobicContact CG2-CE2 4.04Å; I216-F237 HydrophobicContact CG2-CZ 3.93Å; V226-F237 HydrophobicContact CG1-CE1 3.65Å; V226-F237 HydrophobicContact CG1-CZ 4.11Å; F229-F237 HydrophobicContact CB-CZ 4.33Å; 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 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-114.8119.8176.8-174.30000107.5I4 L6 A12 W15 M200 I201 L202 I203 V236I4-V238 HydrophobicContact CB-CG1 4.47Å; I4-V238 HydrophobicContact CB-CG2 4.4Å; I4-V238 HydrophobicContact CG1-CG2 4.23Å; L6-V238 HydrophobicContact CD2-CG1 3.86Å; A12-V238 HydrophobicContact CB-CG1 4.26Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.47Å; W15-V238 HydrophobicContact CE3-CB 4.41Å; W15-V238 HydrophobicContact CE3-CG1 3.96Å; W15-V238 HydrophobicContact CE3-CG2 3.49Å; W15-V238 VanDerWaalsContact CE3-CG2 3.49Å; W15-V238 HydrophobicContact CZ3-CG2 3.49Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.49Å; M200-V238 HydrophobicContact CG-CG2 3.98Å; M200-V238 HydrophobicContact SD-CG2 3.9Å; I201-V238 PolarHBondContact O-N 2.89Å; L202-V238 CarbonylContact C-O 3.58Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.94Å; L202-V238 HydrophobicContact CD1-CG1 3.89Å; I203-V238 PolarHBondContact N-O 2.78Å; V236-V238 HydrophobicContact CG1-CG2 4Å
239C98.8Very high98.8Very high0 Ų051.6 Ų51.60%026%0.259CS..EExtended strand (participates in β ladder)trans-139.3159.8-176.569.70000114.1I4 L6 I203 L212 A243I4-C239 PolarHBondContact O-N 3.38Å; I4-C239 PolarHBondContact O-SG 3.16Å; I4-C239 VanDerWaalsContact O-SG 3.42Å; L6-C239 WeakPolarHBondContact CD2-O 3.37Å; L6-C239 PolarHBondContact N-O 3.27Å; I203-C239 HydrophobicContact CB-CB 4.15Å; I203-C239 WeakPolarHBondContact O-CA 3.48Å; I203-C239 WeakPolarHBondContact O-CB 3.49Å; L212-C239 HydrophobicContact CD2-CB 4.41Å; C239-A243 HydrophobicContact CB-CB 3.91Å
240D98.8Very high98.8Very high8 Ų859.8 Ų59.84%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-87.7171.2165.861.58.5000111.5L6 I203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 WeakPolarHBondContact O-CA 3.38Å; I203-D240 PolarHBondContact O-N 2.66Å; T204-D240 WeakPolarHBondContact CA-OD1 3.36Å; T204-D240 WeakPolarHBondContact CA-OD2 3.06Å; T204-D240 WeakPolarHBondContact CB-OD2 3.38Å; G205-D240 PolarHBondContact N-OD1 2.96Å; G205-D240 PolarHBondContact N-OD2 3.1Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.26Å; D240-A243 PolarHBondContact O-N 2.85Å; D240-A243 WeakPolarHBondContact OD1-CB 3.31Å; D240-A243 PolarHBondContact OD1-N 3.19Å
241E98.7Very high98.8Very high51 Ų5157.1 Ų57.124%0.23829%0.285CS..SBendtrans-57.8-42.5178.6-72.5-70.9142.500111.9I5 L6 A243 T244 K256I5-E241 WeakPolarHBondContact CG2-OE1 3.18Å; L6-E241 PolarHBondContact O-N 2.74Å; E241-A243 VanDerWaalsContact C-N 3.26Å; E241-A243 PolarHBondContact O-N 3.28Å; E241-T244 WeakPolarHBondContact O-CA 3.34Å; E241-T244 WeakPolarHBondContact O-CB 3.48Å; E241-T244 PolarHBondContact O-N 3.39Å; E241-T244 PolarHBondContact O-OG1 2.99Å; E241-K256 WeakPolarHBondContact OE1-CE 3.13Å; E241-K256 IonicContact OE1-NZ 2.8Å; E241-K256 PolarHBondContact OE1-NZ 2.98Å; E241-K256 IonicContact OE2-NZ 3.48Å; E241-K256 PolarHBondContact OE2-NZ 3.49Å
242D98.7Very high98.8Very high88 Ų8851.5 Ų51.547%0.47126%0.26SS..G310 helixtrans-60.8-34.4-177.5-74.2-5.4000112.3A206 D240 T244 L245A206-D242 WeakPolarHBondContact CA-O 3.42Å; A206-D242 HydrophobicContact CB-CB 4.31Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.26Å; D242-T244 PolarHBondContact O-N 2.98Å; D242-L245 WeakPolarHBondContact O-CD1 3.31Å; D242-L245 WeakPolarHBondContact O-CG 3.27Å
243A98.8Very high98.8Very high0 Ų058.2 Ų58.20%029%0.289CS..G310 helixtrans-67.6-13.4174.100000113.4I203 A209 L212 C239 D240 E241I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.84Å; A209-A243 VanDerWaalsContact CA-O 3.27Å; A209-A243 WeakPolarHBondContact CA-O 3.37Å; L212-A243 HydrophobicContact CD2-CB 4.39Å; L212-A243 WeakPolarHBondContact CD2-O 3.21Å; C239-A243 HydrophobicContact CB-CB 3.91Å; D240-A243 PolarHBondContact O-N 2.85Å; D240-A243 WeakPolarHBondContact OD1-CB 3.31Å; D240-A243 PolarHBondContact OD1-N 3.19Å; E241-A243 VanDerWaalsContact C-N 3.26Å; E241-A243 PolarHBondContact O-N 3.28Å
244T98.8Very high98.8Very high11 Ų1159.2 Ų59.27%0.06728%0.277CS..G310 helixtrans-96.21.6-177.771.70000114.7I5 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.23Å; I5-T244 HydrophobicContact CG1-CG2 4.29Å; I5-T244 HydrophobicContact CG2-CG2 3.98Å; E241-T244 WeakPolarHBondContact O-CA 3.34Å; E241-T244 WeakPolarHBondContact O-CB 3.48Å; E241-T244 PolarHBondContact O-N 3.39Å; E241-T244 PolarHBondContact O-OG1 2.99Å; D242-T244 PolarHBondContact O-N 2.98Å; T244-E246 PolarHBondContact O-N 3Å; T244-E246 VanDerWaalsContact O-N 3.13Å; T244-L247 HydrophobicContact CG2-CD1 4.08Å; T244-L247 WeakPolarHBondContact O-CB 3.33Å; T244-L247 PolarHBondContact O-N 2.9Å
245L98.8Very high98.8Very high113 Ų11355.2 Ų55.259%0.59226%0.263SS*.THydrogen-bonded Turntrans-57.5-31.2-171.4-70.1170.7000114.8A206 A209 D242A206-L245 HydrophobicContact CB-CD1 3.62Å; A209-L245 HydrophobicContact CB-CB 4.01Å; D242-L245 WeakPolarHBondContact O-CD1 3.31Å; D242-L245 WeakPolarHBondContact O-CG 3.27Å
246E98.8Very high98.8Very high105 Ų10559.3 Ų59.349%0.49128%0.28SS..THydrogen-bonded Turntrans-93.4-1.7179.8-65.5-63.8153.800113.3A209 F210 Y213 T244A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.86Å; F210-E246 HydrophobicContact CB-CG 4.3Å; F210-E246 HydrophobicContact CD2-CG 4.49Å; Y213-E246 WeakPolarHBondContact CD2-O 3.39Å; Y213-E246 HydrophobicContact CG-CB 4.33Å; T244-E246 PolarHBondContact O-N 3Å; T244-E246 VanDerWaalsContact O-N 3.13Å
247L98.9Very high98.7Very high14 Ų1462.2 Ų62.27%0.07331%0.31CS..SBendtrans-81.3147.6179.9-59.7-177.1000111.5L3 L212 I216 E217 T244 V249 V252L3-L247 HydrophobicContact CD2-CD1 4.13Å; L212-L247 HydrophobicContact CD2-CD1 4.1Å; L212-L247 HydrophobicContact CG-CD1 4.39Å; L212-L247 HydrophobicContact CG-CD2 4.3Å; I216-L247 HydrophobicContact CD1-CD1 4.1Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.05Å; E217-L247 HydrophobicContact CG-CD2 3.85Å; T244-L247 HydrophobicContact CG2-CD1 4.08Å; T244-L247 WeakPolarHBondContact O-CB 3.33Å; T244-L247 PolarHBondContact O-N 2.9Å; L247-V249 PolarHBondContact O-N 3.04Å; L247-V252 HydrophobicContact CB-CG2 3.88Å; L247-V252 HydrophobicContact CD1-CG2 4.3Å
248K98.8Very high98.7Very high124 Ų12464.1 Ų64.154%0.53932%0.321SS..  trans-59.4136.7169.9-70.8171.7-64.4-1610110.4E217 K250 T251 V252E217-K248 WeakPolarHBondContact OE1-CB 3.45Å; E217-K248 WeakPolarHBondContact OE1-CE 3.32Å; E217-K248 PolarHBondContact OE1-N 3.34Å; E217-K248 VanDerWaalsContact OE1-N 3.15Å; E217-K248 VanDerWaalsContact OE2-CE 3.28Å; E217-K248 WeakPolarHBondContact OE2-CE 3.2Å; E217-K248 WeakPolarHBondContact OE2-CG 3.33Å; E217-K248 PolarHBondContact OE2-N 2.88Å; K248-K250 PolarHBondContact O-N 3.14Å; K248-T251 WeakPolarHBondContact O-CA 3.08Å; K248-T251 WeakPolarHBondContact O-CB 3.35Å; K248-T251 PolarHBondContact O-N 3.13Å; K248-V252 PolarHBondContact O-N 3.31Å
249V98.6Very high98.7Very high99 Ų9965.3 Ų65.360%0.633%0.326SS*.Hα-helixtrans-49.6-37174174.80000112.4L247 T251 V252 K253L247-V249 PolarHBondContact O-N 3.04Å; V249-T251 PolarHBondContact O-N 3.27Å; V249-V252 PolarHBondContact O-N 3.16Å; V249-K253 HydrophobicContact CG1-CD 3.9Å; V249-K253 HydrophobicContact CG1-CG 4.17Å; V249-K253 WeakPolarHBondContact O-CB 3.42Å; V249-K253 VanDerWaalsContact O-CG 3.3Å; V249-K253 WeakPolarHBondContact O-CG 3.31Å; V249-K253 PolarHBondContact O-N 2.94Å
250K98.7Very high98.7Very high175 Ų17572.2 Ų72.276%0.76136%0.363SS*.Hα-helixtrans-61.5-42.3177.6-172.6-177.8-65.8-179.10112.1K248 Y254K248-K250 PolarHBondContact O-N 3.14Å; K250-Y254 WeakPolarHBondContact O-CB 3.09Å; K250-Y254 PolarHBondContact O-N 3.03Å
251T98.8Very high98.6Very high27 Ų2775.9 Ų75.917%0.16639%0.385CS..Hα-helixtrans-65.1-49.9179-55.10000110.3E217 K248 V249 K253 Y254 F255E217-T251 WeakPolarHBondContact OE1-CB 3.33Å; E217-T251 PolarHBondContact OE1-OG1 3.18Å; K248-T251 WeakPolarHBondContact O-CA 3.08Å; K248-T251 WeakPolarHBondContact O-CB 3.35Å; K248-T251 PolarHBondContact O-N 3.13Å; V249-T251 PolarHBondContact O-N 3.27Å; T251-K253 PolarHBondContact O-N 3.42Å; T251-Y254 PolarHBondContact O-N 3.38Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.44Å; T251-F255 PolarHBondContact O-N 2.94Å; T251-F255 VanDerWaalsContact O-N 3.15Å
252V98.8Very high98.6Very high19 Ų1974.2 Ų74.212%0.11538%0.377CS..Hα-helixtrans-59.4-47.8177.3176.20000111.1I5 L247 K248 V249 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 4.3Å; K248-V252 PolarHBondContact O-N 3.31Å; V249-V252 PolarHBondContact O-N 3.16Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.68Å; V252-F255 PolarHBondContact O-N 3.47Å; V252-K256 HydrophobicContact CG1-CD 4Å; V252-K256 HydrophobicContact CG1-CG 4.21Å; V252-K256 WeakPolarHBondContact O-CB 3.25Å; V252-K256 WeakPolarHBondContact O-CG 3.45Å; V252-K256 PolarHBondContact O-N 2.92Å
253K98.6Very high98.6Very high151 Ų15172.8 Ų72.866%0.65737%0.369SS*.Hα-helixtrans-58.5-43.2178.5-79.6-177.3176.9-177.80112.6V249 T251 G257V249-K253 HydrophobicContact CG1-CD 3.9Å; V249-K253 HydrophobicContact CG1-CG 4.17Å; V249-K253 WeakPolarHBondContact O-CB 3.42Å; V249-K253 VanDerWaalsContact O-CG 3.3Å; V249-K253 WeakPolarHBondContact O-CG 3.31Å; V249-K253 PolarHBondContact O-N 2.94Å; T251-K253 PolarHBondContact O-N 3.42Å; K253-G257 PolarHBondContact O-N 3.39Å
254Y98.8Very high98.6Very high146 Ų14679.9 Ų79.957%0.57340%0.4SS*.Hα-helixtrans-60.5-51.5178.8177.6-100.5000111.3K250 T251 V252 G257 L258K250-Y254 WeakPolarHBondContact O-CB 3.09Å; K250-Y254 PolarHBondContact O-N 3.03Å; T251-Y254 PolarHBondContact O-N 3.38Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.68Å; Y254-G257 WeakPolarHBondContact O-CA 3.45Å; Y254-G257 PolarHBondContact O-N 3.04Å; Y254-G257 VanDerWaalsContact O-N 3.16Å; Y254-L258 HydrophobicContact CD1-CD1 4.12Å; Y254-L258 HydrophobicContact CE1-CD1 3.5Å; Y254-L258 HydrophobicContact CE1-CG 4.46Å; Y254-L258 PolarHBondContact O-N 2.72Å
255F98.8Very high98.6Very high19 Ų1981.4 Ų81.48%0.08341%0.408CS..Hα-helixtrans-73.1-33.1-177.1-75.7-70.2000113.6M1 L3 I5 T251 V252 G257 L258 M259M1-F255 HydrophobicContact CE-CE2 3.61Å; M1-F255 HydrophobicContact CE-CZ 3.63Å; M1-F255 HydrophobicContact CG-CZ 4.23Å; L3-F255 HydrophobicContact CB-CB 4.1Å; L3-F255 HydrophobicContact CB-CD1 3.7Å; L3-F255 HydrophobicContact CB-CD2 3.79Å; L3-F255 HydrophobicContact CB-CE1 4Å; L3-F255 HydrophobicContact CB-CE2 4.08Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.18Å; L3-F255 HydrophobicContact CD2-CB 4.3Å; L3-F255 HydrophobicContact CD2-CD2 3.75Å; L3-F255 HydrophobicContact CD2-CE2 4.34Å; L3-F255 HydrophobicContact CD2-CG 4.14Å; L3-F255 HydrophobicContact CG-CB 4.4Å; L3-F255 HydrophobicContact CG-CD2 4.34Å; L3-F255 HydrophobicContact CG-CG 4.29Å; I5-F255 HydrophobicContact CD1-CB 4.21Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.44Å; T251-F255 PolarHBondContact O-N 2.94Å; T251-F255 VanDerWaalsContact O-N 3.15Å; V252-F255 PolarHBondContact O-N 3.47Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.44Å; F255-L258 HydrophobicContact CD1-CD1 4.08Å; F255-L258 HydrophobicContact CE1-CD1 4.37Å; F255-L258 PolarHBondContact O-N 3.14Å; F255-M259 PolarHBondContact O-N 2.8Å
256K98.4Very high98.6Very high90 Ų9076.6 Ų76.639%0.39138%0.383SS..Hα-helixtrans-58.8-40.5167.3-76.2-168.3177-175.80111.5I5 E241 V252 L258 M259I5-K256 HydrophobicContact CD1-CG 4.21Å; E241-K256 WeakPolarHBondContact OE1-CE 3.13Å; E241-K256 IonicContact OE1-NZ 2.8Å; E241-K256 PolarHBondContact OE1-NZ 2.98Å; E241-K256 IonicContact OE2-NZ 3.48Å; E241-K256 PolarHBondContact OE2-NZ 3.49Å; V252-K256 HydrophobicContact CG1-CD 4Å; V252-K256 HydrophobicContact CG1-CG 4.21Å; V252-K256 WeakPolarHBondContact O-CB 3.25Å; V252-K256 WeakPolarHBondContact O-CG 3.45Å; V252-K256 PolarHBondContact O-N 2.92Å; K256-L258 PolarHBondContact O-N 3.33Å; K256-M259 WeakPolarHBondContact O-CB 3.49Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.12Å
257G98.4Very high98.5Very high62 Ų6277 Ų7764%0.63939%0.389SS*.Hα-helixtrans-61.8-22.3174.300000114.4K253 Y254 F255K253-G257 PolarHBondContact O-N 3.39Å; Y254-G257 WeakPolarHBondContact O-CA 3.45Å; Y254-G257 PolarHBondContact O-N 3.04Å; Y254-G257 VanDerWaalsContact O-N 3.16Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.44Å
258L98.6Very high98.4Very high45 Ų4580 Ų8024%0.23641%0.409CS..THydrogen-bonded Turntrans-92.6-4.9177.2-63.6178.2000113.8Y254 F255 K256 L260 V261 H262Y254-L258 HydrophobicContact CD1-CD1 4.12Å; Y254-L258 HydrophobicContact CE1-CD1 3.5Å; Y254-L258 HydrophobicContact CE1-CG 4.46Å; Y254-L258 PolarHBondContact O-N 2.72Å; F255-L258 HydrophobicContact CD1-CD1 4.08Å; F255-L258 HydrophobicContact CE1-CD1 4.37Å; F255-L258 PolarHBondContact O-N 3.14Å; K256-L258 PolarHBondContact O-N 3.33Å; L258-L260 VanDerWaalsContact C-N 3.28Å; L258-L260 PolarHBondContact O-N 3.14Å; L258-V261 WeakPolarHBondContact O-CA 3.45Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.29Å; L258-H262 PolarHBondContact O-N 3.48Å
259M98.5Very high98.4Very high24 Ų2476.8 Ų76.812%0.11840%0.397CS..Hα-helixtrans-60.4-34.5-174.3-75.8-62.6-66.500113.2I4 I5 L6 F255 K256 V261 H262 N263I4-M259 HydrophobicContact CB-SD 4.44Å; I4-M259 HydrophobicContact CG2-CE 3.67Å; I4-M259 HydrophobicContact CG2-SD 3.8Å; I5-M259 WeakPolarHBondContact O-CE 3.46Å; L6-M259 HydrophobicContact CD1-CE 3.79Å; F255-M259 PolarHBondContact O-N 2.8Å; K256-M259 WeakPolarHBondContact O-CB 3.49Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.12Å; M259-V261 VanDerWaalsContact C-N 3.27Å; M259-V261 PolarHBondContact O-N 3.35Å; M259-H262 PolarHBondContact O-N 2.98Å; M259-N263 VanDerWaalsContact O-CB 3.23Å; M259-N263 WeakPolarHBondContact O-CB 3.35Å; M259-N263 PolarHBondContact O-N 3.44Å; M259-N263 PolarHBondContact O-ND2 3.29Å
260L97.8Very high98.3Very high146 Ų14676.7 Ų76.776%0.76439%0.387SS*.Hα-helixtrans-61.3-36.8174.4-177.864.6000112.1L258L258-L260 VanDerWaalsContact C-N 3.28Å; L258-L260 PolarHBondContact O-N 3.14Å
261V98.4Very high98.3Very high84 Ų8470.3 Ų70.351%0.50936%0.364SS..Hα-helixtrans-74.7-46177.2178.40000110.1L258 M259 N263 K264L258-V261 WeakPolarHBondContact O-CA 3.45Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.29Å; M259-V261 VanDerWaalsContact C-N 3.27Å; M259-V261 PolarHBondContact O-N 3.35Å; V261-N263 PolarHBondContact O-N 2.9Å; V261-K264 VanDerWaalsContact O-CB 3.28Å; V261-K264 WeakPolarHBondContact O-CB 3.33Å; V261-K264 WeakPolarHBondContact O-CG 3.45Å; V261-K264 PolarHBondContact O-N 3.14Å
262H98.3Very high98.2Very high17 Ų1773.2 Ų73.28%0.07938%0.378CS..Hα-helixtrans-71.8-28.2-176.6-62.9158.4000113.4I4 L258 M259 K264 L265I4-H262 HydrophobicContact CD1-CB 3.5Å; L258-H262 PolarHBondContact O-N 3.48Å; M259-H262 PolarHBondContact O-N 2.98Å; H262-K264 PolarHBondContact O-N 2.8Å; H262-L265 WeakPolarHBondContact O-CB 3.37Å; H262-L265 WeakPolarHBondContact O-CD1 3.3Å; H262-L265 WeakPolarHBondContact O-CG 3.49Å; H262-L265 PolarHBondContact O-N 3.32Å
263N98.5Very high97.9Very high57 Ų5777.8 Ų77.831%0.30540%0.396SS..G310 helixtrans-65.5-19.3174.2-76.4-18.5000112.6W15 M259 V261 L265 V266 D267W15-N263 PolarHBondContact NE1-OD1 2.69Å; M259-N263 VanDerWaalsContact O-CB 3.23Å; M259-N263 WeakPolarHBondContact O-CB 3.35Å; M259-N263 PolarHBondContact O-N 3.44Å; M259-N263 PolarHBondContact O-ND2 3.29Å; V261-N263 PolarHBondContact O-N 2.9Å; N263-L265 PolarHBondContact O-N 3.35Å; N263-V266 CarbonylContact O-C 3.6Å; N263-V266 VanDerWaalsContact O-CG2 3.3Å; N263-V266 WeakPolarHBondContact O-CG2 3.28Å; N263-V266 PolarHBondContact O-N 2.93Å; N263-D267 WeakPolarHBondContact O-CB 3.42Å; N263-D267 PolarHBondContact O-N 3.48Å
264K98.4Very high96.7Very high150 Ų15079.2 Ų79.265%0.65241%0.405SS*.G310 helixtrans-61.8-14.6170-59.8-178.8178.6-178.40113.8V261 H262 V266 D267V261-K264 VanDerWaalsContact O-CB 3.28Å; V261-K264 WeakPolarHBondContact O-CB 3.33Å; V261-K264 WeakPolarHBondContact O-CG 3.45Å; V261-K264 PolarHBondContact O-N 3.14Å; H262-K264 PolarHBondContact O-N 2.8Å; K264-V266 VanDerWaalsContact C-N 3.31Å; K264-D267 CarbonylContact C-O 3.53Å; K264-D267 VanDerWaalsContact CA-O 3.31Å; K264-D267 WeakPolarHBondContact CA-O 3.45Å
265L98.4Very high95.2Very high42 Ų4281.8 Ų81.822%0.2242%0.419CS..G310 helixtrans-74.9-24174.4-59.8173.5000112.3K2 W15 Y19 N22 H262 N263K2-L265 HydrophobicContact CD-CD1 4.14Å; W15-L265 HydrophobicContact CH2-CD1 4.13Å; W15-L265 HydrophobicContact CZ2-CB 4.27Å; W15-L265 HydrophobicContact CZ2-CD1 4.19Å; Y19-L265 HydrophobicContact CD2-CB 3.85Å; Y19-L265 HydrophobicContact CE2-CB 3.78Å; Y19-L265 HydrophobicContact CE2-CD1 4.08Å; Y19-L265 HydrophobicContact CE2-CD2 4.28Å; Y19-L265 HydrophobicContact CE2-CG 4.26Å; N22-L265 PolarHBondContact ND2-O 3.36Å; H262-L265 WeakPolarHBondContact O-CB 3.37Å; H262-L265 WeakPolarHBondContact O-CD1 3.3Å; H262-L265 WeakPolarHBondContact O-CG 3.49Å; H262-L265 PolarHBondContact O-N 3.32Å; N263-L265 PolarHBondContact O-N 3.35Å
266V98.5Very high93Very high12 Ų1289.2 Ų89.27%0.07345%0.454CS..THydrogen-bonded Turntrans-121.2-3.9-176.5-63.20000113.1W15 K18 Y19 N263 K264W15-V266 HydrophobicContact CD2-CG1 3.99Å; W15-V266 HydrophobicContact CE3-CG1 4.49Å; W15-V266 HydrophobicContact CG-CG1 4.33Å; W15-V266 HydrophobicContact CG-CG2 4.46Å; W15-V266 HydrophobicContact CZ2-CG1 4.04Å; K18-V266 HydrophobicContact CB-CB 3.75Å; K18-V266 HydrophobicContact CB-CG1 3.72Å; K18-V266 HydrophobicContact CD-CB 4.3Å; Y19-V266 HydrophobicContact CD2-CG1 4.4Å; N263-V266 CarbonylContact O-C 3.6Å; N263-V266 VanDerWaalsContact O-CG2 3.3Å; N263-V266 WeakPolarHBondContact O-CG2 3.28Å; N263-V266 PolarHBondContact O-N 2.93Å; K264-V266 VanDerWaalsContact C-N 3.31Å
267D97.4Very high90.5Very high115 Ų11591.5 Ų91.562%0.61548%0.476SS*.SBendtrans-137.6115.1177.5-175.224.3000110.3N263 K264N263-D267 WeakPolarHBondContact O-CB 3.42Å; N263-D267 PolarHBondContact O-N 3.48Å; K264-D267 CarbonylContact C-O 3.53Å; K264-D267 VanDerWaalsContact CA-O 3.31Å; K264-D267 WeakPolarHBondContact CA-O 3.45Å
268P97.6Very high87.9Confident75 Ų7596.2 Ų96.249%0.48748%0.481SS..SBendcis-68.9150.95.229.9-35.8000113.1N22 Y270N22-P268 PolarHBondContact ND2-O 3.04Å; N22-P268 VanDerWaalsContact ND2-O 3.08Å; P268-Y270 HydrophobicContact CG-CE2 4.34Å
269L98Very high85.4Confident57 Ų57103.8 Ų103.830%0.29851%0.512SS..  trans-88115.3171.5-168.866.6000109.2K18 R21 N22K18-L269 HydrophobicContact CB-CD1 3.63Å; K18-L269 HydrophobicContact CD-CD1 4.25Å; K18-L269 HydrophobicContact CD-CD2 4.45Å; K18-L269 HydrophobicContact CG-CD1 3.61Å; K18-L269 HydrophobicContact CG-CD2 4.13Å; R21-L269 HydrophobicContact CG-CD1 4.41Å; N22-L269 WeakPolarHBondContact OD1-CD1 3.5Å
270Y97Very high82.9Confident98 Ų98107.4 Ų107.438%0.38454%0.54SS..  trans-77.1153.5-177.6-64-88.1000111.2R21 N22 I25 Q26 P268R21-Y270 PolarHBondContact NE-O 2.88Å; R21-Y270 PolarHBondContact NH2-O 3.08Å; N22-Y270 HydrophobicContact CB-CD2 4.29Å; N22-Y270 WeakPolarHBondContact OD1-CD2 3.43Å; N22-Y270 PolarHBondContact OD1-N 2.9Å; I25-Y270 WeakPolarHBondContact CD1-O 3.41Å; Q26-Y270 HydrophobicContact CG-CD2 4.01Å; Q26-Y270 HydrophobicContact CG-CE2 4.11Å; Q26-Y270 HydrophobicContact CG-CG 4.4Å; P268-Y270 HydrophobicContact CG-CE2 4.34Å
271S97.8Very high80.9Confident40 Ų40110 Ų11028%0.2855%0.548SS..  trans-131150.8174.5-178.40000109.4D60 K273D60-S271 WeakPolarHBondContact CA-OG 3.2Å; D60-S271 PolarHBondContact OD1-OG 2.9Å; S271-K273 PolarHBondContact OG-N 3.41Å
272I96.3Very high78.2Confident88 Ų88111 Ų11145%0.45156%0.559SS.*SBendtrans-73.9-14.5170.666.5-179.6000112.8I25 G59 D60I25-I272 HydrophobicContact CD1-CG2 4.3Å; I25-I272 HydrophobicContact CG1-CG2 3.92Å; G59-I272 VanDerWaalsContact O-CG1 3.26Å; G59-I272 WeakPolarHBondContact O-CG1 3.34Å; D60-I272 PolarHBondContact O-N 3.41Å
273K93.7Very high75.4Confident115 Ų115115 Ų11550%0.559%0.589SS.*SBendtrans-60.6142.8174.5-67.1176.3-177.5148.50109.6N58 G59 D60 S271 K275N58-K273 WeakPolarHBondContact O-CE 3.18Å; N58-K273 PolarHBondContact O-NZ 3.06Å; G59-K273 WeakPolarHBondContact O-CG 3.24Å; D60-K273 WeakPolarHBondContact OD1-CE 3.17Å; D60-K273 IonicContact OD1-NZ 3.51Å; D60-K273 PolarHBondContact OD1-NZ 3.09Å; S271-K273 PolarHBondContact OG-N 3.41Å; K273-K275 PolarHBondContact O-N 2.97Å
274E74.1Confident73Confident181 Ų181122.1 Ų122.185%0.84662%0.617SS**PPolyproline II helixtrans-53.3141176.9-65.7-167.1163.500110.4E276E274-E276 PolarHBondContact O-N 3.21Å; E274-E276 VanDerWaalsContact O-N 3.08Å
275K66.8Low70.6Confident201 Ų201124.5 Ų124.587%0.87463%0.627SS**PPolyproline II helixtrans-58.2120.3174.8-75.3-178.4178.7175.20107.8K273 T277K273-K275 PolarHBondContact O-N 2.97Å; K275-T277 PolarHBondContact O-N 3.02Å
276E51.8Low68.4Low175 Ų175127.5 Ų127.582%0.81865%0.65SS**  trans-41114.6174.7-153.5165.3-147.100109.8E274 E278E274-E276 PolarHBondContact O-N 3.21Å; E274-E276 VanDerWaalsContact O-N 3.08Å; E276-E278 PolarHBondContact O-N 2.78Å
277T45.7Very low65.9Low137 Ų137138.3 Ų138.384%0.8469%0.691SS**SBendtrans-70.317.6-171.9-30.80000113.1K275K275-T277 PolarHBondContact O-N 3.02Å
278E43.8Very low63.8Low161 Ų161137.8 Ų137.875%0.75270%0.696SS**  trans-123.161.7-178.4-69.2-172.8174.900111.4E276 S280E276-E278 PolarHBondContact O-N 2.78Å; E278-S280 VanDerWaalsContact C-N 3.3Å
279K47.7Very low61.7Low204 Ų204145.7 Ų145.789%0.88773%0.734SS**  trans-100.961.2143.9-75.5-165.6178.3-174.70108.7Q281K279-Q281 PolarHBondContact O-N 2.87Å; K279-Q281 VanDerWaalsContact O-N 3.16Å
280S45.1Very low59.9Low100 Ų100150.2 Ų150.270%0.69976%0.756SS**  trans-63.2114.2166.255.30000108.4E278 S282E278-S280 VanDerWaalsContact C-N 3.3Å; S280-S282 PolarHBondContact O-N 2.74Å
281Q55Low58Low200 Ų200152.9 Ų152.994%0.93578%0.776SS**  trans-50121.4164.2-68.2175.2-12.300109.6K279K279-Q281 PolarHBondContact O-N 2.87Å; K279-Q281 VanDerWaalsContact O-N 3.16Å
282S42.1Very low55.8Low105 Ų105159.2 Ų159.273%0.73480%0.803SS**  trans-144.1122.1164.7163.20000105.5S280S280-S282 PolarHBondContact O-N 2.74Å
283S41Very low53.4Low102 Ų102163.4 Ų163.471%0.71382%0.824SS**  cis-164.8130.9-1.828.30000105.7
284K46.6Very low50.9Low206 Ų206166.4 Ų166.490%0.89684%0.844SS**  trans-60.9135.2155.4-82.7-180173.61780107.5
285K48.3Very low49.3Very low200 Ų200165.4 Ų165.487%0.8784%0.844SS**  trans-168.9162.8132.1-113.7-179.4-174.3-175.60111.6
286P53.3Low48.1Very low106 Ų106162.9 Ų162.969%0.68884%0.842SS**  -119.3177.4-99.337.9-22.5000112.2
287Y46Very low47.8Very low238 Ų238161.9 Ų161.993%0.93384%0.844SS**  trans-49.8137.2159.9-82-95.5000111.3
288S52.8Low48Very low105 Ų105164 Ų16473%0.73484%0.844SS**  trans-143.2115.2154.358.30000108.3
289D54.1Low48.3Very low241 Ų241164.3 Ų164.3100%1.28985%0.853SS**  trans320155.6-55.1-18.9000121

Retrieved 289 of 289 residues in 97.4 ms (Link to these results)

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