A0A060VMN0_ONCMY Loading...

Glucosamine-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A060VMN0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497790, Length 275 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M97.6Very high98.6Very high100 Ų10061 Ų6149%0.49329%0.291SS..  0163.9070179.4-179.700111I216 T235 F237 F255M1-I216 HydrophobicContact CE-CB 4.01Å; M1-I216 HydrophobicContact CE-CD1 3.92Å; M1-I216 HydrophobicContact CE-CG1 4.43Å; M1-I216 HydrophobicContact SD-CB 3.98Å; M1-I216 HydrophobicContact SD-CD1 4.48Å; M1-I216 HydrophobicContact SD-CG2 3.88Å; M1-T235 CarbonylContact C-O 3.54Å; M1-T235 VanDerWaalsContact CA-O 3.27Å; M1-T235 WeakPolarHBondContact CA-O 3.32Å; M1-F237 HydrophobicContact CB-CD2 4.06Å; M1-F237 HydrophobicContact CB-CE2 3.99Å; M1-F237 HydrophobicContact CG-CD2 4.46Å; M1-F237 HydrophobicContact SD-CD2 3.82Å; M1-F237 HydrophobicContact SD-CE2 3.83Å; M1-F255 HydrophobicContact CE-CE2 3.63Å; M1-F255 HydrophobicContact CE-CZ 3.63Å; M1-F255 HydrophobicContact CG-CZ 4.29Å
2R98.8Very high98.6Very high90 Ų9055.9 Ų55.934%0.3427%0.266SS..EExtended strand (participates in β ladder)trans-111.8141.2157.5-64.6174.3177.5165.1-2.2108T235 I236 F237R2-T235 PolarHBondContact N-O 2.66Å; R2-I236 HydrophobicContact CB-CG1 3.85Å; R2-I236 HydrophobicContact CG-CG1 4.3Å; R2-I236 CarbonylContact O-C 3.53Å; R2-I236 WeakPolarHBondContact O-CA 3.36Å; R2-F237 PolarHBondContact O-N 3.19Å
3L98.9Very high98.7Very high0 Ų051.8 Ų51.80%025%0.247CC..EExtended strand (participates in β ladder)trans-119124170.6178.467.4000107.8I5 I216 F237 L247 F255 H262L3-I5 HydrophobicContact CD2-CD1 4.01Å; L3-I5 HydrophobicContact CD2-CG1 4.21Å; L3-I5 HydrophobicContact CG-CD1 4.26Å; L3-I5 HydrophobicContact CG-CG1 3.94Å; L3-I216 HydrophobicContact CD2-CD1 4.03Å; L3-F237 CarbonylContact C-O 3.57Å; L3-F237 WeakPolarHBondContact CA-O 3.43Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; L3-L247 HydrophobicContact CD2-CD1 4.09Å; L3-F255 HydrophobicContact CB-CB 4.09Å; L3-F255 HydrophobicContact CB-CD1 3.71Å; L3-F255 HydrophobicContact CB-CD2 3.77Å; L3-F255 HydrophobicContact CB-CE1 4Å; L3-F255 HydrophobicContact CB-CE2 4.07Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.17Å; L3-F255 HydrophobicContact CD2-CB 4.28Å; L3-F255 HydrophobicContact CD2-CD2 3.71Å; L3-F255 HydrophobicContact CD2-CE2 4.3Å; L3-F255 HydrophobicContact CD2-CG 4.12Å; L3-F255 HydrophobicContact CG-CB 4.38Å; L3-F255 HydrophobicContact CG-CD2 4.31Å; L3-F255 HydrophobicContact CG-CG 4.28Å; L3-H262 PolarHBondContact O-ND1 3.37Å
4V98.9Very high98.7Very high0 Ų051.9 Ų51.90%025%0.247CC..EExtended strand (participates in β ladder)trans-110.7120.7179.7-174.20000106.5L6 W15 I236 F237 C239 M259 H262V4-L6 HydrophobicContact CB-CD2 4.29Å; V4-L6 HydrophobicContact CG1-CD1 4.15Å; V4-L6 HydrophobicContact CG1-CD2 3.53Å; V4-L6 HydrophobicContact CG1-CG 4.5Å; V4-W15 HydrophobicContact CB-CZ2 4.47Å; V4-W15 HydrophobicContact CG1-CD2 3.83Å; V4-W15 HydrophobicContact CG1-CE3 4.39Å; V4-W15 HydrophobicContact CG1-CG 4.13Å; V4-W15 HydrophobicContact CG1-CZ2 4.03Å; V4-W15 HydrophobicContact CG2-CH2 3.76Å; V4-W15 HydrophobicContact CG2-CZ2 3.71Å; V4-W15 HydrophobicContact CG2-CZ3 4.22Å; V4-I236 HydrophobicContact CG2-CG2 4.17Å; V4-F237 PolarHBondContact N-O 2.96Å; V4-C239 PolarHBondContact O-N 3.01Å; V4-C239 PolarHBondContact O-SG 3.09Å; V4-M259 HydrophobicContact CB-SD 4.38Å; V4-M259 HydrophobicContact CG1-CE 3.65Å; V4-M259 HydrophobicContact CG1-SD 3.78Å; V4-H262 HydrophobicContact CG2-CB 4.34Å
5I98.8Very high98.7Very high8 Ų849.1 Ų49.14%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-117115.9-174.4-52.3174.2000107.4L3 C239 T244 V252 F255 K256 M259L3-I5 HydrophobicContact CD2-CD1 4.01Å; L3-I5 HydrophobicContact CD2-CG1 4.21Å; L3-I5 HydrophobicContact CG-CD1 4.26Å; L3-I5 HydrophobicContact CG-CG1 3.94Å; I5-C239 WeakPolarHBondContact CA-O 3.31Å; I5-T244 HydrophobicContact CD1-CG2 4.19Å; I5-T244 HydrophobicContact CG1-CG2 4.24Å; I5-T244 HydrophobicContact CG2-CG2 3.95Å; I5-V252 HydrophobicContact CD1-CB 4.45Å; I5-V252 HydrophobicContact CD1-CG1 3.99Å; I5-F255 HydrophobicContact CD1-CB 4.18Å; I5-K256 HydrophobicContact CB-CG 4.47Å; I5-K256 HydrophobicContact CD1-CG 4.15Å; I5-M259 WeakPolarHBondContact O-CE 3.34Å
6L98.8Very high98.7Very high18 Ų1846 Ų469%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-111.2160.8-178.9-61.7-46.5000109.3V4 D8 L11 A12 W15 V238 C239 D240 E241 M259V4-L6 HydrophobicContact CB-CD2 4.29Å; V4-L6 HydrophobicContact CG1-CD1 4.15Å; V4-L6 HydrophobicContact CG1-CD2 3.53Å; V4-L6 HydrophobicContact CG1-CG 4.5Å; L6-D8 PolarHBondContact O-N 3.33Å; L6-L11 HydrophobicContact CB-CB 3.9Å; L6-L11 HydrophobicContact CG-CB 4.33Å; L6-A12 HydrophobicContact CB-CB 4.25Å; L6-A12 HydrophobicContact CD2-CB 4.18Å; L6-A12 HydrophobicContact CG-CB 4.39Å; L6-W15 HydrophobicContact CD1-CB 4.47Å; L6-W15 HydrophobicContact CD1-CG 4.44Å; L6-W15 HydrophobicContact CD2-CB 4.29Å; L6-W15 HydrophobicContact CD2-CG 4.43Å; L6-W15 HydrophobicContact CG-CB 4.3Å; L6-V238 HydrophobicContact CD2-CG1 3.68Å; L6-C239 WeakPolarHBondContact CD2-O 3.37Å; L6-C239 PolarHBondContact N-O 2.88Å; L6-D240 CarbonylContact O-C 3.54Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 VanDerWaalsContact O-CA 3.24Å; L6-D240 WeakPolarHBondContact O-CA 3.31Å; L6-E241 PolarHBondContact O-N 2.95Å; L6-M259 HydrophobicContact CD1-CE 3.73Å
7E98.6Very high98.7Very high146 Ų14643.3 Ų43.368%0.68221%0.206SC*.SBendtrans-62.6-44.6-176.5-165.2172.7176.900112L11E7-L11 HydrophobicContact CB-CD1 3.79Å
8D98.6Very high98.7Very high67 Ų6743.4 Ų43.436%0.35821%0.205SC..SBendtrans-144.8177.6-172.364.840.3000113.2L6 D10 L11 A12L6-D8 PolarHBondContact O-N 3.33Å; D8-D10 VanDerWaalsContact C-N 3.32Å; D8-D10 PolarHBondContact O-N 2.99Å; D8-D10 WeakPolarHBondContact OD1-CA 3.4Å; D8-D10 PolarHBondContact OD1-N 3.35Å; D8-L11 PolarHBondContact O-N 3.04Å; D8-L11 PolarHBondContact OD1-N 3.49Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.97Å
9Y98.7Very high98.7Very high69 Ų6941.3 Ų41.327%0.27120%0.195SC..Hα-helixtrans-57.8-39.3178.1165.8-95.4000113.5S13 S43 G47 T204Y9-S13 WeakPolarHBondContact O-CB 3.16Å; Y9-S13 PolarHBondContact O-N 3.03Å; Y9-S13 PolarHBondContact O-OG 3.1Å; Y9-S43 PolarHBondContact OH-O 3.43Å; Y9-G47 VanDerWaalsContact OH-CA 3.32Å; Y9-G47 WeakPolarHBondContact OH-CA 3.49Å; Y9-G47 PolarHBondContact OH-N 3.29Å; Y9-T204 HydrophobicContact CD2-CG2 3.86Å
10D98.7Very high98.8Very high109 Ų10939.3 Ų39.358%0.58319%0.186SC*.Hα-helixtrans-72-41.6-175.5-76.9-27.9000110.3D8 S13 E14D8-D10 VanDerWaalsContact C-N 3.32Å; D8-D10 PolarHBondContact O-N 2.99Å; D8-D10 WeakPolarHBondContact OD1-CA 3.4Å; D8-D10 PolarHBondContact OD1-N 3.35Å; D10-S13 WeakPolarHBondContact O-CB 3.33Å; D10-S13 PolarHBondContact O-N 3.16Å; D10-E14 WeakPolarHBondContact O-CB 3.45Å; D10-E14 PolarHBondContact O-N 2.76Å
11L98.8Very high98.8Very high64 Ų6438.1 Ų38.134%0.33518%0.179SC..Hα-helixtrans-67.2-40.4173.9-67.3-177000112.2L6 E7 D8 S13 E14 W15L6-L11 HydrophobicContact CB-CB 3.9Å; L6-L11 HydrophobicContact CG-CB 4.33Å; E7-L11 HydrophobicContact CB-CD1 3.79Å; D8-L11 PolarHBondContact O-N 3.04Å; D8-L11 PolarHBondContact OD1-N 3.49Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-E14 PolarHBondContact O-N 2.88Å; L11-W15 VanDerWaalsContact O-CB 3.31Å; L11-W15 WeakPolarHBondContact O-CB 3.37Å; L11-W15 PolarHBondContact O-N 2.91Å
12A98.8Very high98.8Very high0 Ų033.5 Ų33.50%016%0.157CC..Hα-helixtrans-62.7-43.4174.400000111.4L6 D8 W15 A16 L202 T204 V238L6-A12 HydrophobicContact CB-CB 4.25Å; L6-A12 HydrophobicContact CD2-CB 4.18Å; L6-A12 HydrophobicContact CG-CB 4.39Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.97Å; A12-W15 PolarHBondContact O-N 2.94Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.3Å; A12-L202 HydrophobicContact CB-CD1 4.15Å; A12-T204 HydrophobicContact CB-CG2 4.02Å; A12-V238 HydrophobicContact CB-CG1 4.35Å
13S98.9Very high98.8Very high2 Ų231.4 Ų31.41%0.01415%0.149CC..Hα-helixtrans-62.2-44.8175.2-69.10000112.3Y9 D10 L11 A17Y9-S13 WeakPolarHBondContact O-CB 3.16Å; Y9-S13 PolarHBondContact O-N 3.03Å; Y9-S13 PolarHBondContact O-OG 3.1Å; D10-S13 WeakPolarHBondContact O-CB 3.33Å; D10-S13 PolarHBondContact O-N 3.16Å; L11-S13 VanDerWaalsContact C-N 3.35Å; S13-A17 WeakPolarHBondContact O-CB 3.17Å; S13-A17 PolarHBondContact O-N 2.84Å
14E98.9Very high98.8Very high53 Ų5331.6 Ų31.625%0.24815%0.15CC..Hα-helixtrans-66.9-43178.6-170.7-171.7-162.500111.7D10 L11 A16 A17 K18 K51D10-E14 WeakPolarHBondContact O-CB 3.45Å; D10-E14 PolarHBondContact O-N 2.76Å; L11-E14 PolarHBondContact O-N 2.88Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 3.39Å; E14-A17 PolarHBondContact O-N 3.28Å; E14-K18 VanDerWaalsContact CD-CE 3.47Å; E14-K18 HydrophobicContact CG-CD 4.15Å; E14-K18 HydrophobicContact CG-CG 4.41Å; E14-K18 WeakPolarHBondContact O-CB 3.47Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 3.44Å; E14-K18 WeakPolarHBondContact OE1-CE 3.49Å; E14-K18 IonicContact OE1-NZ 3.9Å; E14-K18 PolarHBondContact OE1-NZ 3.31Å; E14-K18 IonicContact OE2-NZ 2.82Å; E14-K18 PolarHBondContact OE2-NZ 3.17Å; E14-K51 HydrophobicContact CB-CG 4.43Å; E14-K51 HydrophobicContact CG-CD 4.49Å
15W98.9Very high98.8Very high10 Ų1031.7 Ų31.74%0.03815%0.15CC..Hα-helixtrans-59.4-47.2177.2-167.6103.3000110.9V4 L6 L11 A12 A17 K18 Y19 M200 I236 V238 N263 L265 V266V4-W15 HydrophobicContact CB-CZ2 4.47Å; V4-W15 HydrophobicContact CG1-CD2 3.83Å; V4-W15 HydrophobicContact CG1-CE3 4.39Å; V4-W15 HydrophobicContact CG1-CG 4.13Å; V4-W15 HydrophobicContact CG1-CZ2 4.03Å; V4-W15 HydrophobicContact CG2-CH2 3.76Å; V4-W15 HydrophobicContact CG2-CZ2 3.71Å; V4-W15 HydrophobicContact CG2-CZ3 4.22Å; L6-W15 HydrophobicContact CD1-CB 4.47Å; L6-W15 HydrophobicContact CD1-CG 4.44Å; L6-W15 HydrophobicContact CD2-CB 4.29Å; L6-W15 HydrophobicContact CD2-CG 4.43Å; L6-W15 HydrophobicContact CG-CB 4.3Å; L11-W15 VanDerWaalsContact O-CB 3.31Å; L11-W15 WeakPolarHBondContact O-CB 3.37Å; L11-W15 PolarHBondContact O-N 2.91Å; A12-W15 PolarHBondContact O-N 2.94Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 3.13Å; W15-K18 PolarHBondContact O-N 2.97Å; W15-Y19 HydrophobicContact CH2-CD2 4Å; W15-Y19 HydrophobicContact CH2-CG 4.1Å; W15-Y19 HydrophobicContact CZ3-CD1 4.47Å; W15-Y19 HydrophobicContact CZ3-CD2 4.31Å; W15-Y19 AromaticContact CZ3-CG 3.94Å; W15-Y19 HydrophobicContact CZ3-CG 3.94Å; W15-Y19 WeakPolarHBondContact O-CB 3.19Å; W15-Y19 PolarHBondContact O-N 3.2Å; W15-M200 HydrophobicContact CZ3-SD 4.34Å; W15-I236 HydrophobicContact CH2-CG2 4.18Å; W15-I236 HydrophobicContact CZ3-CG2 4.05Å; W15-V238 HydrophobicContact CB-CG1 4.44Å; W15-V238 HydrophobicContact CD2-CG1 4.41Å; W15-V238 HydrophobicContact CE3-CB 4.38Å; W15-V238 HydrophobicContact CE3-CG1 3.88Å; W15-V238 HydrophobicContact CE3-CG2 3.52Å; W15-V238 HydrophobicContact CZ3-CG2 3.48Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.48Å; W15-N263 PolarHBondContact NE1-OD1 3.23Å; W15-L265 HydrophobicContact CH2-CD1 4.16Å; W15-L265 HydrophobicContact CZ2-CB 4.31Å; W15-L265 HydrophobicContact CZ2-CD1 4.17Å; W15-V266 HydrophobicContact CD2-CG1 3.99Å; W15-V266 HydrophobicContact CE3-CG1 4.48Å; W15-V266 HydrophobicContact CG-CG1 4.34Å; W15-V266 HydrophobicContact CG-CG2 4.42Å; W15-V266 HydrophobicContact CH2-CG1 4.45Å; W15-V266 HydrophobicContact CZ2-CG1 3.99Å
16A98.9Very high98.8Very high0 Ų036.2 Ų36.20%017%0.171CC..Hα-helixtrans-59.7-44.1176.500000111.9A12 E14 Y19 I20 M200 L202A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.3Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 3.39Å; A16-Y19 PolarHBondContact O-N 3.13Å; A16-I20 WeakPolarHBondContact O-CG1 3.17Å; A16-I20 PolarHBondContact O-N 3Å; A16-M200 HydrophobicContact CB-CE 3.84Å; A16-M200 HydrophobicContact CB-SD 4.18Å; A16-L202 HydrophobicContact CB-CD1 4.3Å
17A98.9Very high98.8Very high0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-65.5-42.4177.900000112.6S13 E14 W15 Y19 I20 R21 K51 L52 F55S13-A17 WeakPolarHBondContact O-CB 3.17Å; S13-A17 PolarHBondContact O-N 2.84Å; E14-A17 PolarHBondContact O-N 3.28Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 3.13Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 3.15Å; A17-I20 PolarHBondContact O-N 3.16Å; A17-R21 VanDerWaalsContact O-CB 3.3Å; A17-R21 WeakPolarHBondContact O-CB 3.37Å; A17-R21 PolarHBondContact O-N 3.1Å; A17-K51 HydrophobicContact CB-CB 3.45Å; A17-K51 VanDerWaalsContact CB-CB 3.45Å; A17-K51 HydrophobicContact CB-CG 4.45Å; A17-L52 HydrophobicContact CB-CD2 4.11Å; A17-L52 HydrophobicContact CB-CG 4.07Å; A17-F55 HydrophobicContact CB-CE2 3.86Å
18K98.9Very high98.7Very high45 Ų4536.6 Ų36.620%0.19617%0.17CC..Hα-helixtrans-61.3-39.9174-74.9173.3178.3162.20111E14 W15 R21 N22 F55 V266 V269E14-K18 VanDerWaalsContact CD-CE 3.47Å; E14-K18 HydrophobicContact CG-CD 4.15Å; E14-K18 HydrophobicContact CG-CG 4.41Å; E14-K18 WeakPolarHBondContact O-CB 3.47Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 3.44Å; E14-K18 WeakPolarHBondContact OE1-CE 3.49Å; E14-K18 IonicContact OE1-NZ 3.9Å; E14-K18 PolarHBondContact OE1-NZ 3.31Å; E14-K18 IonicContact OE2-NZ 2.82Å; E14-K18 PolarHBondContact OE2-NZ 3.17Å; W15-K18 PolarHBondContact O-N 2.97Å; K18-R21 PolarHBondContact O-N 3.16Å; K18-N22 WeakPolarHBondContact O-CB 3.23Å; K18-N22 PolarHBondContact O-N 2.77Å; K18-F55 HydrophobicContact CG-CE2 4.35Å; K18-F55 HydrophobicContact CG-CZ 4Å; K18-V266 HydrophobicContact CB-CB 3.8Å; K18-V266 HydrophobicContact CB-CG1 3.85Å; K18-V266 HydrophobicContact CD-CB 4.42Å; K18-V269 HydrophobicContact CD-CG2 3.86Å; K18-V269 HydrophobicContact CG-CG1 4.46Å; K18-V269 HydrophobicContact CG-CG2 4.15Å
19Y98.9Very high98.7Very high3 Ų334.8 Ų34.81%0.01216%0.162CC..Hα-helixtrans-62.9-52.3176.9-168.3-113.1000111.2W15 A16 A17 R21 N22 R23 E198 M200 R234 I236 L265 V266W15-Y19 HydrophobicContact CH2-CD2 4Å; W15-Y19 HydrophobicContact CH2-CG 4.1Å; W15-Y19 HydrophobicContact CZ3-CD1 4.47Å; W15-Y19 HydrophobicContact CZ3-CD2 4.31Å; W15-Y19 AromaticContact CZ3-CG 3.94Å; W15-Y19 HydrophobicContact CZ3-CG 3.94Å; W15-Y19 WeakPolarHBondContact O-CB 3.19Å; W15-Y19 PolarHBondContact O-N 3.2Å; A16-Y19 PolarHBondContact O-N 3.13Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 3.15Å; Y19-R21 VanDerWaalsContact C-N 3.32Å; Y19-R21 PolarHBondContact O-N 3.44Å; Y19-N22 PolarHBondContact O-N 3.29Å; Y19-R23 HydrophobicContact CD1-CG 4.05Å; Y19-R23 HydrophobicContact CD2-CG 4.4Å; Y19-R23 HydrophobicContact CE1-CG 3.77Å; Y19-R23 HydrophobicContact CE2-CG 4.11Å; Y19-R23 HydrophobicContact CG-CG 4.37Å; Y19-R23 VanDerWaalsContact O-CG 3.23Å; Y19-R23 WeakPolarHBondContact O-CG 3.16Å; Y19-R23 PolarHBondContact O-N 2.97Å; Y19-E198 PolarHBondContact OH-OE1 3.49Å; Y19-E198 PolarHBondContact OH-OE2 3.23Å; Y19-M200 HydrophobicContact CD1-SD 3.79Å; Y19-M200 HydrophobicContact CG-SD 4.48Å; Y19-R234 PolarHBondContact OH-NH2 2.88Å; Y19-I236 HydrophobicContact CE1-CD1 3.72Å; Y19-I236 HydrophobicContact CE2-CD1 4.15Å; Y19-I236 WeakPolarHBondContact OH-CD1 3.48Å; Y19-L265 HydrophobicContact CD2-CB 3.88Å; Y19-L265 HydrophobicContact CE2-CB 3.8Å; Y19-L265 HydrophobicContact CE2-CD1 4.12Å; Y19-L265 HydrophobicContact CE2-CD2 4.35Å; Y19-L265 HydrophobicContact CE2-CG 4.31Å; Y19-V266 HydrophobicContact CD2-CG1 4.3Å
20I98.9Very high98.7Very high2 Ų233.7 Ų33.71%0.0117%0.165CC..Hα-helixtrans-55.8-47.5176.9-67.7162.7000110.7A16 A17 N22 R23 I24 L37 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CG1 3.17Å; A16-I20 PolarHBondContact O-N 3Å; A17-I20 PolarHBondContact O-N 3.16Å; I20-N22 PolarHBondContact O-N 2.91Å; I20-R23 PolarHBondContact O-N 3.17Å; I20-I24 HydrophobicContact CG2-CD1 3.73Å; I20-I24 HydrophobicContact CG2-CG1 4.45Å; I20-I24 WeakPolarHBondContact O-CG1 3.44Å; I20-I24 PolarHBondContact O-N 3.26Å; I20-L37 HydrophobicContact CG2-CD2 4.29Å; I20-L52 HydrophobicContact CB-CD2 4.07Å; I20-L52 HydrophobicContact CD1-CD1 4.07Å; I20-L52 HydrophobicContact CG2-CD1 4.24Å; I20-L52 HydrophobicContact CG2-CD2 3.87Å; I20-L133 HydrophobicContact CG1-CD2 3.9Å; I20-V135 HydrophobicContact CD1-CG2 3.96Å; I20-V135 HydrophobicContact CG1-CG2 4.27Å; I20-M200 HydrophobicContact CD1-CE 3.71Å; I20-M200 HydrophobicContact CG1-CE 3.73Å
21R98.8Very high98.6Very high14 Ų1431 Ų315%0.05316%0.157CC..Hα-helixtrans-53.7-54.7175.9170.9175.4167.9171.7-6111.4A17 K18 Y19 R23 I24 I25 F55 D60 L61 V269 L270A17-R21 VanDerWaalsContact O-CB 3.3Å; A17-R21 WeakPolarHBondContact O-CB 3.37Å; A17-R21 PolarHBondContact O-N 3.1Å; K18-R21 PolarHBondContact O-N 3.16Å; Y19-R21 VanDerWaalsContact C-N 3.32Å; Y19-R21 PolarHBondContact O-N 3.44Å; R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.4Å; R21-I24 PolarHBondContact O-N 2.88Å; R21-I25 HydrophobicContact CG-CD1 3.64Å; R21-I25 WeakPolarHBondContact O-CB 3.27Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.48Å; R21-I25 PolarHBondContact O-N 2.85Å; R21-F55 HydrophobicContact CB-CD2 4.1Å; R21-F55 HydrophobicContact CB-CE2 4.4Å; R21-F55 HydrophobicContact CG-CD2 4.36Å; R21-F55 VanDerWaalsContact NH1-CD1 3.29Å; R21-D60 VanDerWaalsContact CZ-CB 3.45Å; R21-D60 IonicContact CZ-OD2 3.39Å; R21-D60 IonicContact NH1-OD2 3.65Å; R21-D60 PolarHBondContact NH1-OD2 3.36Å; R21-D60 IonicContact NH2-OD2 3.51Å; R21-L61 HydrophobicContact CB-CD2 4.09Å; R21-L61 HydrophobicContact CG-CD1 4.31Å; R21-L61 HydrophobicContact CG-CD2 4.36Å; R21-V269 VanDerWaalsContact CZ-CG1 3.47Å; R21-L270 PolarHBondContact NE-O 3.22Å; R21-L270 PolarHBondContact NH2-O 3.4Å
22N98.8Very high98.5Very high3 Ų335.6 Ų35.62%0.01618%0.182CC..Hα-helixtrans-61.5-40.4-179.8-81.14.8000111.9K18 Y19 I20 I25 Q26 L265 P268 L270K18-N22 WeakPolarHBondContact O-CB 3.23Å; K18-N22 PolarHBondContact O-N 2.77Å; Y19-N22 PolarHBondContact O-N 3.29Å; I20-N22 PolarHBondContact O-N 2.91Å; N22-I25 PolarHBondContact O-N 3.16Å; N22-Q26 VanDerWaalsContact O-CB 3.24Å; N22-Q26 WeakPolarHBondContact O-CB 3.43Å; N22-Q26 WeakPolarHBondContact O-CG 3.24Å; N22-Q26 PolarHBondContact O-N 2.85Å; N22-L265 PolarHBondContact ND2-O 2.92Å; N22-P268 PolarHBondContact ND2-O 3.38Å; N22-L270 HydrophobicContact CB-CD1 4.36Å; N22-L270 WeakPolarHBondContact OD1-CB 3.38Å; N22-L270 WeakPolarHBondContact OD1-CG 3.39Å; N22-L270 PolarHBondContact OD1-N 2.49Å
23R98.8Very high98.5Very high46 Ų4642 Ų4217%0.17421%0.207CC..Hα-helixtrans-64.2-44.1178.5-65.2-61.3-74.4128.76.9111.8Y19 I20 R21 F27 F35 E198Y19-R23 HydrophobicContact CD1-CG 4.05Å; Y19-R23 HydrophobicContact CD2-CG 4.4Å; Y19-R23 HydrophobicContact CE1-CG 3.77Å; Y19-R23 HydrophobicContact CE2-CG 4.11Å; Y19-R23 HydrophobicContact CG-CG 4.37Å; Y19-R23 VanDerWaalsContact O-CG 3.23Å; Y19-R23 WeakPolarHBondContact O-CG 3.16Å; Y19-R23 PolarHBondContact O-N 2.97Å; I20-R23 PolarHBondContact O-N 3.17Å; R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.4Å; R23-F27 WeakPolarHBondContact O-CB 3.49Å; R23-F27 PolarHBondContact O-N 2.99Å; R23-F35 HydrophobicContact CB-CE2 4.33Å; R23-F35 HydrophobicContact CB-CZ 4.18Å; R23-E198 IonicContact CZ-OE2 2.73Å; R23-E198 IonicContact NE-OE2 2.67Å; R23-E198 PolarHBondContact NE-OE2 3.48Å; R23-E198 IonicContact NH2-OE2 2.57Å; R23-E198 PolarHBondContact NH2-OE2 3.28Å; R23-E198 VanDerWaalsContact NH2-OE2 3.16Å
24I98.8Very high98.5Very high4 Ų444.9 Ų44.92%0.02122%0.217CC..Hα-helixtrans-61.7-49.8175.4-68.1167.9000110.1I20 R21 Q26 F27 K28 P29 F35 L61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.73Å; I20-I24 HydrophobicContact CG2-CG1 4.45Å; I20-I24 WeakPolarHBondContact O-CG1 3.44Å; I20-I24 PolarHBondContact O-N 3.26Å; R21-I24 PolarHBondContact O-N 2.88Å; I24-Q26 PolarHBondContact O-N 3.41Å; I24-F27 WeakPolarHBondContact O-CB 3.46Å; I24-F27 PolarHBondContact O-N 3.47Å; I24-K28 PolarHBondContact O-N 2.97Å; I24-K28 VanDerWaalsContact O-N 3.13Å; I24-P29 HydrophobicContact CG2-CG 4.16Å; I24-P29 WeakPolarHBondContact O-CD 3.17Å; I24-F35 HydrophobicContact CD1-CD1 4.4Å; I24-F35 HydrophobicContact CD1-CE1 4.4Å; I24-F35 HydrophobicContact CG1-CD1 3.61Å; I24-F35 HydrophobicContact CG1-CE1 3.63Å; I24-F35 HydrophobicContact CG1-CG 4.09Å; I24-F35 HydrophobicContact CG1-CZ 4.12Å; I24-L61 HydrophobicContact CB-CD1 4.05Å; I24-L61 HydrophobicContact CD1-CD1 4.24Å; I24-L61 HydrophobicContact CG2-CD1 3.87Å; I24-F63 HydrophobicContact CD1-CD1 4.36Å; I24-F63 HydrophobicContact CD1-CE1 3.85Å; I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG1-CG2 4.5Å; I24-V66 HydrophobicContact CG2-CG2 4.24Å
25I98.6Very high98.5Very high3 Ų342.4 Ų42.42%0.01521%0.206CC..Hα-helixtrans-66.4-40.2-175.7-68.2172.1000112R21 N22 F27 K28 D60 L61 L270 I272 Q275R21-I25 HydrophobicContact CG-CD1 3.64Å; R21-I25 WeakPolarHBondContact O-CB 3.27Å; R21-I25 VanDerWaalsContact O-CG1 3.27Å; R21-I25 WeakPolarHBondContact O-CG1 3.48Å; R21-I25 PolarHBondContact O-N 2.85Å; N22-I25 PolarHBondContact O-N 3.16Å; I25-F27 VanDerWaalsContact C-N 3.32Å; I25-K28 WeakPolarHBondContact O-CG 3.45Å; I25-K28 PolarHBondContact O-N 3.46Å; I25-D60 WeakPolarHBondContact CD1-O 3.45Å; I25-L61 HydrophobicContact CD1-CD1 4.3Å; I25-L61 HydrophobicContact CG1-CD1 4.08Å; I25-L270 HydrophobicContact CB-CB 4.3Å; I25-L270 HydrophobicContact CD1-CB 4.22Å; I25-L270 WeakPolarHBondContact CD1-O 3.41Å; I25-L270 HydrophobicContact CG2-CB 3.78Å; I25-L270 HydrophobicContact CG2-CD1 4.2Å; I25-I272 HydrophobicContact CD1-CG2 4.17Å; I25-I272 HydrophobicContact CG1-CG2 3.88Å; I25-Q275 PolarHBondContact O-NE2 3.32Å
26Q98.1Very high98.5Very high103 Ų10342 Ų4248%0.48120%0.204SC..Hα-helixtrans-68.2-33.1174.6-72.6170.2-6.600112.2N22 I24 K28 L270N22-Q26 VanDerWaalsContact O-CB 3.24Å; N22-Q26 WeakPolarHBondContact O-CB 3.43Å; N22-Q26 WeakPolarHBondContact O-CG 3.24Å; N22-Q26 PolarHBondContact O-N 2.85Å; I24-Q26 PolarHBondContact O-N 3.41Å; Q26-K28 PolarHBondContact O-N 2.88Å; Q26-L270 HydrophobicContact CG-CD1 3.41Å; Q26-L270 VanDerWaalsContact CG-CD1 3.41Å
27F98.6Very high98.5Very high42 Ų4242 Ų4218%0.18420%0.204CC..Hα-helixtrans-69.8-22.3176.1-173.5-89.9000112.1R23 I24 I25 P29 R33 Y34 F35R23-F27 WeakPolarHBondContact O-CB 3.49Å; R23-F27 PolarHBondContact O-N 2.99Å; I24-F27 WeakPolarHBondContact O-CB 3.46Å; I24-F27 PolarHBondContact O-N 3.47Å; I25-F27 VanDerWaalsContact C-N 3.32Å; F27-P29 HydrophobicContact CD1-CB 3.92Å; F27-P29 HydrophobicContact CE1-CB 4.23Å; F27-R33 HydrophobicContact CE1-CG 3.84Å; F27-R33 HydrophobicContact CZ-CG 3.88Å; F27-R33 PolarHBondContact O-NH2 3.04Å; F27-Y34 WeakPolarHBondContact CE1-O 3.22Å; F27-F35 HydrophobicContact CB-CD2 3.69Å; F27-F35 HydrophobicContact CB-CE2 4.21Å; F27-F35 HydrophobicContact CD1-CB 3.85Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.38Å; F27-F35 AromaticContact CD2-CD2 3.91Å; F27-F35 HydrophobicContact CD2-CD2 3.91Å; F27-F35 HydrophobicContact CD2-CE2 4.47Å; F27-F35 HydrophobicContact CE1-CB 4.07Å; F27-F35 HydrophobicContact CE1-CD2 4.43Å; F27-F35 HydrophobicContact CE2-CD2 4.46Å; F27-F35 HydrophobicContact CG-CB 4.43Å; F27-F35 AromaticContact CG-CD2 3.57Å; F27-F35 HydrophobicContact CG-CD2 3.57Å; F27-F35 HydrophobicContact CG-CE2 4.37Å; F27-F35 HydrophobicContact CG-CG 4.49Å
28K98Very high98.5Very high130 Ų13042 Ų4257%0.56520%0.204SC*.  trans49.958.9178.7-58.5-175176.9-1690112.2I24 I25 Q26I24-K28 PolarHBondContact O-N 2.97Å; I24-K28 VanDerWaalsContact O-N 3.13Å; I25-K28 WeakPolarHBondContact O-CG 3.45Å; I25-K28 PolarHBondContact O-N 3.46Å; Q26-K28 PolarHBondContact O-N 2.88Å
29P98.3Very high98.5Very high28 Ų2839.9 Ų39.918%0.18220%0.195CC..  trans-66148.3-176.430.6-37000111.5I24 F27 R33 F35 Y65I24-P29 HydrophobicContact CG2-CG 4.16Å; I24-P29 WeakPolarHBondContact O-CD 3.17Å; F27-P29 HydrophobicContact CD1-CB 3.92Å; F27-P29 HydrophobicContact CE1-CB 4.23Å; P29-R33 CarbonylContact C-O 3.22Å; P29-R33 WeakPolarHBondContact CA-O 3.39Å; P29-R33 WeakPolarHBondContact CB-O 3.39Å; P29-F35 HydrophobicContact CB-CB 4.04Å; P29-F35 HydrophobicContact CG-CB 4.33Å; P29-Y65 WeakPolarHBondContact CB-O 3.39Å; P29-Y65 WeakPolarHBondContact O-CD2 3.18Å
30S98.1Very high98.5Very high47 Ų4740 Ų4033%0.32920%0.196SC..BIsolated β-bridgetrans-141177.1-178.870.70000110.5D32 R33 Y65S30-D32 PolarHBondContact O-N 3.22Å; S30-D32 VanDerWaalsContact O-N 3.16Å; S30-R33 PolarHBondContact N-O 2.98Å; S30-R33 CarbonylContact O-C 3.59Å; S30-R33 PolarHBondContact O-N 3.29Å; S30-R33 PolarHBondContact OG-N 3.35Å; S30-Y65 VanDerWaalsContact C-CD1 3.5Å; S30-Y65 VanDerWaalsContact C-CG 3.5Å
31A97.5Very high98.4Very high52 Ų5240.6 Ų40.643%0.4320%0.2SC..THydrogen-bonded Turntrans-57.9-28.2178.500000113.4Y34 Y65A31-Y34 WeakPolarHBondContact O-CE2 3.25Å; A31-Y65 HydrophobicContact CB-CD1 4.4Å; A31-Y65 HydrophobicContact CB-CE1 3.75Å
32D96.9Very high98.2Very high161 Ų16141 Ų4186%0.86121%0.209SC*.THydrogen-bonded Turntrans-98-6.6179.1-54.8-50.2000112.8S30S30-D32 PolarHBondContact O-N 3.22Å; S30-D32 VanDerWaalsContact O-N 3.16Å
33R97.7Very high98Very high135 Ų13543.9 Ų43.951%0.50923%0.229SC..BIsolated β-bridgetrans-14786.7-176.5-165.3175.294.9-178.56.8111.1F27 P29 S30F27-R33 HydrophobicContact CE1-CG 3.84Å; F27-R33 HydrophobicContact CZ-CG 3.88Å; F27-R33 PolarHBondContact O-NH2 3.04Å; P29-R33 CarbonylContact C-O 3.22Å; P29-R33 WeakPolarHBondContact CA-O 3.39Å; P29-R33 WeakPolarHBondContact CB-O 3.39Å; S30-R33 PolarHBondContact N-O 2.98Å; S30-R33 CarbonylContact O-C 3.59Å; S30-R33 PolarHBondContact O-N 3.29Å; S30-R33 PolarHBondContact OG-N 3.35Å
34Y98.8Very high97.9Very high62 Ų6242.2 Ų42.224%0.24322%0.224CC..PPolyproline II helixtrans-74147177.1-73.8-99.8000111.6F27 A31 Y65 K67 N103F27-Y34 WeakPolarHBondContact CE1-O 3.22Å; A31-Y34 WeakPolarHBondContact O-CE2 3.25Å; Y34-Y65 VanDerWaalsContact CA-O 3.3Å; Y34-Y65 WeakPolarHBondContact CA-O 3.47Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.36Å; Y34-Y65 HydrophobicContact CE1-CD1 4.13Å; Y34-K67 HydrophobicContact CD1-CD 4.16Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CG-CD 4.02Å; Y34-K67 HydrophobicContact CG-CG 4.11Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.36Å
35F98.9Very high97.8Very high1 Ų142.4 Ų42.40%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-86.4125.4164.3-177.5-92.2000109R23 I24 F27 P29 L37 Y65 V66 K67 D132 L133R23-F35 HydrophobicContact CB-CE2 4.33Å; R23-F35 HydrophobicContact CB-CZ 4.18Å; I24-F35 HydrophobicContact CD1-CD1 4.4Å; I24-F35 HydrophobicContact CD1-CE1 4.4Å; I24-F35 HydrophobicContact CG1-CD1 3.61Å; I24-F35 HydrophobicContact CG1-CE1 3.63Å; I24-F35 HydrophobicContact CG1-CG 4.09Å; I24-F35 HydrophobicContact CG1-CZ 4.12Å; F27-F35 HydrophobicContact CB-CD2 3.69Å; F27-F35 HydrophobicContact CB-CE2 4.21Å; F27-F35 HydrophobicContact CD1-CB 3.85Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.38Å; F27-F35 AromaticContact CD2-CD2 3.91Å; F27-F35 HydrophobicContact CD2-CD2 3.91Å; F27-F35 HydrophobicContact CD2-CE2 4.47Å; F27-F35 HydrophobicContact CE1-CB 4.07Å; F27-F35 HydrophobicContact CE1-CD2 4.43Å; F27-F35 HydrophobicContact CE2-CD2 4.46Å; F27-F35 HydrophobicContact CG-CB 4.43Å; F27-F35 AromaticContact CG-CD2 3.57Å; F27-F35 HydrophobicContact CG-CD2 3.57Å; F27-F35 HydrophobicContact CG-CE2 4.37Å; F27-F35 HydrophobicContact CG-CG 4.49Å; P29-F35 HydrophobicContact CB-CB 4.04Å; P29-F35 HydrophobicContact CG-CB 4.33Å; F35-L37 HydrophobicContact CD1-CB 4.24Å; F35-L37 HydrophobicContact CE1-CB 4.07Å; F35-L37 HydrophobicContact CE1-CD1 4.18Å; F35-Y65 PolarHBondContact N-O 3.06Å; F35-V66 HydrophobicContact CB-CG2 4.37Å; F35-V66 HydrophobicContact CD1-CG1 4.44Å; F35-V66 CarbonylContact O-C 3.53Å; F35-V66 VanDerWaalsContact O-CA 3.31Å; F35-V66 WeakPolarHBondContact O-CA 3.27Å; F35-K67 PolarHBondContact O-N 3.25Å; F35-D132 HydrophobicContact CD2-CB 4.04Å; F35-D132 HydrophobicContact CE2-CB 3.83Å; F35-D132 HydrophobicContact CZ-CB 4.25Å; F35-L133 HydrophobicContact CE1-CB 4.28Å; F35-L133 HydrophobicContact CZ-CB 3.77Å; F35-L133 HydrophobicContact CZ-CD2 4.41Å
36T98.9Very high97.8Very high1 Ų145.5 Ų45.51%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-101.3122.8-17751.80000111.2K67 F69 A128 G130 I131 D132 L133T36-K67 CarbonylContact C-O 3.51Å; T36-K67 WeakPolarHBondContact CA-O 3.45Å; T36-K67 HydrophobicContact CG2-CB 4.29Å; T36-F69 HydrophobicContact CG2-CE2 4.35Å; T36-A128 HydrophobicContact CG2-CB 3.89Å; T36-G130 WeakPolarHBondContact CB-O 3.22Å; T36-G130 WeakPolarHBondContact CG2-O 3.36Å; T36-G130 PolarHBondContact OG1-O 3.01Å; T36-I131 VanDerWaalsContact OG1-CA 3.31Å; T36-I131 WeakPolarHBondContact OG1-CA 3.49Å; T36-D132 PolarHBondContact N-OD2 2.76Å; T36-D132 WeakPolarHBondContact O-CB 3.38Å; T36-D132 PolarHBondContact O-N 3.26Å; T36-D132 VanDerWaalsContact OG1-CG 3.3Å; T36-D132 PolarHBondContact OG1-N 3.03Å; T36-D132 PolarHBondContact OG1-OD2 3.4Å; T36-L133 PolarHBondContact O-N 3.01Å
37L98.9Very high97.9Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-124.7113-169.9-177.859.6000111.5I20 F35 L39 V66 K67 T68 F69 L133 V135I20-L37 HydrophobicContact CG2-CD2 4.29Å; F35-L37 HydrophobicContact CD1-CB 4.24Å; F35-L37 HydrophobicContact CE1-CB 4.07Å; F35-L37 HydrophobicContact CE1-CD1 4.18Å; L37-L39 HydrophobicContact CD1-CD2 4.26Å; L37-L39 HydrophobicContact CD2-CD1 4.43Å; L37-L39 HydrophobicContact CD2-CD2 3.78Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.71Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-V66 HydrophobicContact CB-CG1 4.14Å; L37-V66 HydrophobicContact CD2-CG1 4.48Å; L37-K67 PolarHBondContact N-O 3.14Å; L37-T68 HydrophobicContact CB-CG2 4.39Å; L37-T68 CarbonylContact O-C 3.53Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.27Å; L37-F69 PolarHBondContact O-N 2.9Å; L37-L133 CarbonylContact C-O 3.49Å; L37-L133 WeakPolarHBondContact CA-O 3.07Å; L37-L133 HydrophobicContact CD1-CB 4.15Å; L37-L133 HydrophobicContact CD1-CD2 4.07Å; L37-L133 HydrophobicContact CD1-CG 4.06Å; L37-L133 WeakPolarHBondContact CD1-O 3.31Å; L37-V135 HydrophobicContact CD1-CG2 3.86Å
38G98.9Very high97.9Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-76134.5168.800000110.7F69 L133 V135G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.25Å; G38-F69 WeakPolarHBondContact CA-O 3.37Å; G38-L133 PolarHBondContact N-O 2.93Å; G38-V135 WeakPolarHBondContact O-CB 3.24Å; G38-V135 PolarHBondContact O-N 3.48Å
39L98.9Very high97.9Very high1 Ų133.1 Ų33.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-131.2140.6-171.9-72.8-178.3000114L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.26Å; L37-L39 HydrophobicContact CD2-CD1 4.43Å; L37-L39 HydrophobicContact CD2-CD2 3.78Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.71Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-Y49 HydrophobicContact CD1-CE1 4.32Å; L39-Y49 HydrophobicContact CD2-CE1 4.01Å; L39-T68 HydrophobicContact CD1-CG2 3.57Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; L39-F69 PolarHBondContact N-O 2.82Å; L39-N70 WeakPolarHBondContact O-CA 3.45Å; L39-N70 PolarHBondContact O-ND2 2.84Å; L39-M71 PolarHBondContact O-N 3.23Å; L39-M71 VanDerWaalsContact O-N 3.09Å; L39-M89 HydrophobicContact CB-CE 4.18Å; L39-M89 HydrophobicContact CD1-CE 3.65Å; L39-F93 HydrophobicContact CD1-CD1 4.16Å; L39-F93 HydrophobicContact CD1-CE1 3.9Å; L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.47Å
40P98.6Very high97.9Very high4 Ų437 Ų373%0.02620%0.2CC..  trans-99.6171173.137.4-28.9000112.9P45 Y49 M71 V135P40-P45 HydrophobicContact CB-CG 4.48Å; P40-P45 HydrophobicContact CG-CB 3.92Å; P40-P45 HydrophobicContact CG-CG 4.03Å; P40-Y49 PolarHBondContact O-OH 3.02Å; P40-M71 HydrophobicContact CB-CE 3.38Å; P40-M71 HydrophobicContact CB-SD 3.96Å; P40-V135 WeakPolarHBondContact CD-O 3.09Å; P40-V135 HydrophobicContact CG-CG1 4.13Å
41T97.8Very high98Very high16 Ų1637.7 Ų37.710%0.09820%0.197CC..  trans-115.3-172.816965.90000111P45 Y85 Y88 M89T41-P45 WeakPolarHBondContact O-CD 3.41Å; T41-P45 VanDerWaalsContact O-CG 3.24Å; T41-P45 WeakPolarHBondContact O-CG 3.28Å; T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.96Å; T41-Y85 HydrophobicContact CG2-CG 3.69Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.48Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.41Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.26Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; T41-Y88 HydrophobicContact CG2-CD1 3.68Å; T41-Y88 HydrophobicContact CG2-CE1 4.17Å; T41-Y88 HydrophobicContact CG2-CG 4.27Å; T41-M89 HydrophobicContact CG2-CG 4.08Å; T41-M89 HydrophobicContact CG2-SD 3.94Å
42G94.1Very high98Very high23 Ų2335.3 Ų35.324%0.23718%0.177CC..SBendtrans97.5-175.2175.900000114.4P45 Y88G42-P45 WeakPolarHBondContact O-CD 3.26Å; G42-Y88 PolarHBondContact O-OH 3.47Å
43S93.9Very high98.1Very high63 Ų6328.4 Ų28.444%0.44114%0.14SC..SBendtrans-72.1-35.7-175.354.40000113.1Y9 F46Y9-S43 PolarHBondContact OH-O 3.43Å; S43-F46 WeakPolarHBondContact O-CB 3.31Å; S43-F46 PolarHBondContact O-N 2.96Å
44T96.9Very high98.2Very high10 Ų1025.9 Ų25.96%0.06113%0.134CC..THydrogen-bonded Turntrans-59.1-49.9-177.5-62.20000113.9F46 L202T44-F46 VanDerWaalsContact C-N 3.28Å; T44-F46 PolarHBondContact O-N 3.3Å; T44-L202 HydrophobicContact CG2-CB 4.12Å; T44-L202 HydrophobicContact CG2-CD2 3.92Å; T44-L202 HydrophobicContact CG2-CG 3.67Å; T44-L202 WeakPolarHBondContact CG2-O 3.28Å; T44-L202 WeakPolarHBondContact O-CD2 3.49Å
45P98.2Very high98.2Very high8 Ų823.8 Ų23.85%0.05213%0.126CC..THydrogen-bonded Turntrans-78.9-5179.732.6-38.6000114.5P40 T41 G42 G47 C48 Y49P40-P45 HydrophobicContact CB-CG 4.48Å; P40-P45 HydrophobicContact CG-CB 3.92Å; P40-P45 HydrophobicContact CG-CG 4.03Å; T41-P45 WeakPolarHBondContact O-CD 3.41Å; T41-P45 VanDerWaalsContact O-CG 3.24Å; T41-P45 WeakPolarHBondContact O-CG 3.28Å; G42-P45 WeakPolarHBondContact O-CD 3.26Å; P45-G47 PolarHBondContact O-N 2.89Å; P45-C48 WeakPolarHBondContact O-CB 3.42Å; P45-C48 PolarHBondContact O-N 2.81Å; P45-C48 VanDerWaalsContact O-N 3.13Å; P45-Y49 HydrophobicContact CB-CD2 4.27Å; P45-Y49 HydrophobicContact CB-CE2 3.8Å; P45-Y49 HydrophobicContact CG-CE2 4.02Å; P45-Y49 VanDerWaalsContact O-CD2 3.31Å; P45-Y49 WeakPolarHBondContact O-CD2 3.31Å; P45-Y49 PolarHBondContact O-N 3.34Å
46F98.3Very high98.2Very high68 Ų6825.7 Ų25.730%0.29814%0.135SC..Hα-helixtrans-61-42.1-173.4-178.4-112.7000112.9S43 T44 C48 Y49 K50 N92S43-F46 WeakPolarHBondContact O-CB 3.31Å; S43-F46 PolarHBondContact O-N 2.96Å; T44-F46 VanDerWaalsContact C-N 3.28Å; T44-F46 PolarHBondContact O-N 3.3Å; F46-C48 VanDerWaalsContact C-N 3.33Å; F46-Y49 PolarHBondContact O-N 3.2Å; F46-K50 HydrophobicContact CD1-CD 4.41Å; F46-K50 HydrophobicContact CE1-CD 3.93Å; F46-K50 VanDerWaalsContact CE1-CE 3.45Å; F46-K50 HydrophobicContact CE1-CG 4.46Å; F46-K50 HydrophobicContact CZ-CD 4.27Å; F46-K50 HydrophobicContact CZ-CG 4.44Å; F46-K50 PolarHBondContact O-N 3.2Å; F46-N92 HydrophobicContact CD2-CB 4.24Å; F46-N92 HydrophobicContact CE2-CB 4.11Å; F46-N92 WeakPolarHBondContact CE2-OD1 3.48Å
47G98.7Very high98.2Very high7 Ų732.6 Ų32.67%0.07217%0.165CC..Hα-helixtrans-63.8-39.6176.100000112Y9 P45 K50 K51Y9-G47 VanDerWaalsContact OH-CA 3.32Å; Y9-G47 WeakPolarHBondContact OH-CA 3.49Å; Y9-G47 PolarHBondContact OH-N 3.29Å; P45-G47 PolarHBondContact O-N 2.89Å; G47-K50 WeakPolarHBondContact O-CB 3.34Å; G47-K50 PolarHBondContact O-N 3.41Å; G47-K51 PolarHBondContact O-N 3.42Å; G47-K51 VanDerWaalsContact O-N 3.11Å
48C98.9Very high98.1Very high5 Ų537.2 Ų37.23%0.03419%0.19CC..Hα-helixtrans-60.9-45.8174.2-178.90000111.1P45 F46 K50 K51 L52 L202P45-C48 WeakPolarHBondContact O-CB 3.42Å; P45-C48 PolarHBondContact O-N 2.81Å; P45-C48 VanDerWaalsContact O-N 3.13Å; F46-C48 VanDerWaalsContact C-N 3.33Å; C48-K50 PolarHBondContact O-N 3.12Å; C48-K51 PolarHBondContact O-N 3.36Å; C48-L52 WeakPolarHBondContact O-CG 3.37Å; C48-L52 PolarHBondContact O-N 3.3Å; C48-L202 HydrophobicContact CB-CD2 4.43Å
49Y98.9Very high98.1Very high3 Ų338.7 Ų38.71%0.01221%0.205CC..Hα-helixtrans-61.2-42.2176.7-68.8-48.3000112.7L39 P40 P45 F46 K51 L52 I53 Y88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.32Å; L39-Y49 HydrophobicContact CD2-CE1 4.01Å; P40-Y49 PolarHBondContact O-OH 3.02Å; P45-Y49 HydrophobicContact CB-CD2 4.27Å; P45-Y49 HydrophobicContact CB-CE2 3.8Å; P45-Y49 HydrophobicContact CG-CE2 4.02Å; P45-Y49 VanDerWaalsContact O-CD2 3.31Å; P45-Y49 WeakPolarHBondContact O-CD2 3.31Å; P45-Y49 PolarHBondContact O-N 3.34Å; F46-Y49 PolarHBondContact O-N 3.2Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 3.07Å; Y49-L52 HydrophobicContact CD1-CD1 4.38Å; Y49-L52 PolarHBondContact O-N 3.2Å; Y49-I53 VanDerWaalsContact O-CG1 3.26Å; Y49-I53 WeakPolarHBondContact O-CG1 3.23Å; Y49-I53 PolarHBondContact O-N 3.19Å; Y49-Y88 HydrophobicContact CD2-CE1 4.3Å; Y49-Y88 AromaticContact CE2-CE1 3.95Å; Y49-Y88 HydrophobicContact CE2-CE1 3.95Å; Y49-M89 HydrophobicContact CE1-CE 4.29Å; Y49-M89 HydrophobicContact CE2-SD 4.29Å; Y49-F93 HydrophobicContact CD1-CB 3.98Å; Y49-F93 AromaticContact CD1-CD1 3.73Å; Y49-F93 HydrophobicContact CD1-CD1 3.73Å; 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 3.94Å; Y49-F93 HydrophobicContact CD1-CE2 3.94Å; 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 4.43Å; Y49-F93 AromaticContact CE1-CD1 3.7Å; Y49-F93 HydrophobicContact CE1-CD1 3.7Å; Y49-F93 HydrophobicContact CE1-CD2 4.41Å; Y49-F93 AromaticContact CE1-CE1 3.99Å; Y49-F93 HydrophobicContact CE1-CE1 3.99Å; Y49-F93 AromaticContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CZ 4.46Å; Y49-F93 HydrophobicContact CG-CB 4.14Å; Y49-F93 HydrophobicContact CG-CD2 4.18Å; Y49-F93 HydrophobicContact CG-CG 4.11Å
50K98.9Very high98.1Very high111 Ų11140 Ų4048%0.48321%0.211SC..Hα-helixtrans-56-46.7174.1-79.7-176.1157.5-175.60112.1F46 G47 C48 I53 E54F46-K50 HydrophobicContact CD1-CD 4.41Å; F46-K50 HydrophobicContact CE1-CD 3.93Å; F46-K50 VanDerWaalsContact CE1-CE 3.45Å; F46-K50 HydrophobicContact CE1-CG 4.46Å; F46-K50 HydrophobicContact CZ-CD 4.27Å; F46-K50 HydrophobicContact CZ-CG 4.44Å; F46-K50 PolarHBondContact O-N 3.2Å; G47-K50 WeakPolarHBondContact O-CB 3.34Å; G47-K50 PolarHBondContact O-N 3.41Å; C48-K50 PolarHBondContact O-N 3.12Å; K50-I53 PolarHBondContact O-N 3.02Å; K50-E54 WeakPolarHBondContact O-CG 3.17Å; K50-E54 PolarHBondContact O-N 3.43Å
51K98.9Very high98.1Very high61 Ų6139.8 Ų39.827%0.26521%0.21SC..Hα-helixtrans-65.9-39.5178.2-68.4-61178.8-168.90113.1E14 A17 G47 C48 Y49 I53 E54 F55E14-K51 HydrophobicContact CB-CG 4.43Å; E14-K51 HydrophobicContact CG-CD 4.49Å; A17-K51 HydrophobicContact CB-CB 3.45Å; A17-K51 VanDerWaalsContact CB-CB 3.45Å; A17-K51 HydrophobicContact CB-CG 4.45Å; G47-K51 PolarHBondContact O-N 3.42Å; G47-K51 VanDerWaalsContact O-N 3.11Å; C48-K51 PolarHBondContact O-N 3.36Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 3.07Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.84Å; K51-E54 VanDerWaalsContact CD-OE2 3.28Å; K51-E54 WeakPolarHBondContact CD-OE2 3.3Å; K51-E54 IonicContact NZ-OE1 3.76Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.27Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 3.49Å; K51-F55 HydrophobicContact CB-CE2 4.41Å; K51-F55 HydrophobicContact CB-CZ 4.46Å; K51-F55 VanDerWaalsContact O-CD2 3.28Å; K51-F55 WeakPolarHBondContact O-CD2 3.23Å; K51-F55 WeakPolarHBondContact O-CG 3.41Å; K51-F55 PolarHBondContact O-N 3.48Å
52L98.9Very high98.1Very high1 Ų140.7 Ų40.71%0.00522%0.217CC..Hα-helixtrans-62.8-39.5174-69.4174000112.3A17 I20 C48 Y49 F55 H56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.11Å; A17-L52 HydrophobicContact CB-CG 4.07Å; I20-L52 HydrophobicContact CB-CD2 4.07Å; I20-L52 HydrophobicContact CD1-CD1 4.07Å; I20-L52 HydrophobicContact CG2-CD1 4.24Å; I20-L52 HydrophobicContact CG2-CD2 3.87Å; C48-L52 WeakPolarHBondContact O-CG 3.37Å; C48-L52 PolarHBondContact O-N 3.3Å; Y49-L52 HydrophobicContact CD1-CD1 4.38Å; Y49-L52 PolarHBondContact O-N 3.2Å; L52-F55 HydrophobicContact CD2-CD2 4.42Å; L52-F55 PolarHBondContact O-N 2.89Å; L52-H56 PolarHBondContact O-N 2.96Å; L52-L61 HydrophobicContact CD2-CD2 3.89Å; L52-F63 HydrophobicContact CB-CZ 4.17Å; L52-F63 HydrophobicContact CD2-CZ 4.33Å; L52-F93 HydrophobicContact CB-CE2 3.82Å; L52-F93 HydrophobicContact CB-CZ 4.37Å; L52-F93 HydrophobicContact CD1-CE2 4.15Å; L52-F93 HydrophobicContact CD1-CZ 4.04Å
53I98.9Very high98.4Very high16 Ų1639.6 Ų39.68%0.08221%0.206CC..Hα-helixtrans-64.6-43.3173.8-67.4163.4000110.8Y49 K50 K51 F55 H56 K57 N92 F93 H96 I97Y49-I53 VanDerWaalsContact O-CG1 3.26Å; Y49-I53 WeakPolarHBondContact O-CG1 3.23Å; Y49-I53 PolarHBondContact O-N 3.19Å; K50-I53 PolarHBondContact O-N 3.02Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.84Å; I53-F55 PolarHBondContact O-N 3.36Å; I53-H56 PolarHBondContact O-N 2.65Å; I53-K57 HydrophobicContact CG2-CD 3.89Å; I53-K57 HydrophobicContact CG2-CG 4.25Å; I53-K57 WeakPolarHBondContact O-CB 3.41Å; I53-K57 WeakPolarHBondContact O-CG 3.35Å; I53-K57 PolarHBondContact O-N 3.11Å; I53-N92 WeakPolarHBondContact CD1-O 3.43Å; I53-F93 HydrophobicContact CD1-CD2 4.34Å; I53-F93 HydrophobicContact CG1-CD2 4.02Å; I53-F93 HydrophobicContact CG1-CE2 4.44Å; I53-H96 HydrophobicContact CD1-CB 3.78Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.85Å; I53-I97 HydrophobicContact CG1-CG2 4.08Å
54E98.8Very high98.6Very high82 Ų8242 Ų4238%0.38321%0.208SC..Hα-helixtrans-57.8-47.9175.2-74.3169.5-156.800111K50 K51 H56 K57 N58K50-E54 WeakPolarHBondContact O-CG 3.17Å; K50-E54 PolarHBondContact O-N 3.43Å; K51-E54 VanDerWaalsContact CD-OE2 3.28Å; K51-E54 WeakPolarHBondContact CD-OE2 3.3Å; K51-E54 IonicContact NZ-OE1 3.76Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.27Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 3.49Å; E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.39Å; E54-K57 PolarHBondContact O-N 3.05Å; E54-N58 WeakPolarHBondContact O-CB 3.32Å; E54-N58 PolarHBondContact O-N 3.39Å; E54-N58 PolarHBondContact O-ND2 2.92Å
55F98.8Very high98.7Very high18 Ų1845 Ų458%0.07922%0.219CC..Hα-helixtrans-61.2-39.3177-59.4-29.4000112.7A17 K18 R21 K51 L52 I53 G59 D60 L61A17-F55 HydrophobicContact CB-CE2 3.86Å; K18-F55 HydrophobicContact CG-CE2 4.35Å; K18-F55 HydrophobicContact CG-CZ 4Å; R21-F55 HydrophobicContact CB-CD2 4.1Å; R21-F55 HydrophobicContact CB-CE2 4.4Å; R21-F55 HydrophobicContact CG-CD2 4.36Å; R21-F55 VanDerWaalsContact NH1-CD1 3.29Å; K51-F55 HydrophobicContact CB-CE2 4.41Å; K51-F55 HydrophobicContact CB-CZ 4.46Å; K51-F55 VanDerWaalsContact O-CD2 3.28Å; K51-F55 WeakPolarHBondContact O-CD2 3.23Å; K51-F55 WeakPolarHBondContact O-CG 3.41Å; K51-F55 PolarHBondContact O-N 3.48Å; L52-F55 HydrophobicContact CD2-CD2 4.42Å; L52-F55 PolarHBondContact O-N 2.89Å; I53-F55 PolarHBondContact O-N 3.36Å; F55-G59 PolarHBondContact O-N 3.22Å; F55-D60 PolarHBondContact O-N 3.43Å; F55-L61 HydrophobicContact CB-CB 4.01Å; F55-L61 HydrophobicContact CB-CD2 4.36Å; F55-L61 PolarHBondContact O-N 3.32Å
56H98.8Very high98.7Very high42 Ų4244.6 Ų44.619%0.19422%0.217CC..Hα-helixtrans-65.6-49.4175.6176.160.8000112.4L52 I53 E54 N58 G59 L61 F63 I97 D98L52-H56 PolarHBondContact O-N 2.96Å; I53-H56 PolarHBondContact O-N 2.65Å; E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.39Å; H56-N58 PolarHBondContact O-N 2.69Å; H56-G59 WeakPolarHBondContact O-CA 3.41Å; H56-G59 PolarHBondContact O-N 3.33Å; H56-L61 WeakPolarHBondContact CA-O 3.42Å; H56-L61 PolarHBondContact ND1-O 3Å; H56-F63 HydrophobicContact CB-CE2 4.35Å; H56-I97 HydrophobicContact CB-CG2 4.17Å; H56-D98 IonicContact CE1-OD1 2.96Å; H56-D98 PolarHBondContact CE1-OD1 3.44Å; H56-D98 IonicContact CE1-OD2 3.4Å; H56-D98 IonicContact ND1-OD1 3.83Å; H56-D98 PolarHBondContact ND1-OD1 3.14Å; H56-D98 PolarHBondContact NE2-N 2.87Å; H56-D98 IonicContact NE2-OD1 3.89Å
57K98.6Very high98.7Very high145 Ų14543.9 Ų43.963%0.6321%0.214SC*.Hα-helixtrans-61.1-32.9178.6-74.4179.8177.7177.60112.6I53 E54 G59I53-K57 HydrophobicContact CG2-CD 3.89Å; I53-K57 HydrophobicContact CG2-CG 4.25Å; I53-K57 WeakPolarHBondContact O-CB 3.41Å; I53-K57 WeakPolarHBondContact O-CG 3.35Å; I53-K57 PolarHBondContact O-N 3.11Å; E54-K57 PolarHBondContact O-N 3.05Å; K57-G59 PolarHBondContact O-N 2.97Å
58N98.4Very high98.8Very high98 Ų9843.6 Ų43.652%0.52421%0.21SC..THydrogen-bonded Turntrans-73.3-7.2174.5-68.3-11.3000112.8E54 H56 D60 K273E54-N58 WeakPolarHBondContact O-CB 3.32Å; E54-N58 PolarHBondContact O-N 3.39Å; E54-N58 PolarHBondContact O-ND2 2.92Å; H56-N58 PolarHBondContact O-N 2.69Å; N58-D60 VanDerWaalsContact C-N 3.33Å; N58-K273 WeakPolarHBondContact O-CE 3.2Å; N58-K273 PolarHBondContact O-NZ 3.37Å
59G98.2Very high98.8Very high31 Ų3143.4 Ų43.432%0.3221%0.209SC..THydrogen-bonded Turntrans75.620.6-177.400000113.4F55 H56 K57 I272 K273F55-G59 PolarHBondContact O-N 3.22Å; H56-G59 WeakPolarHBondContact O-CA 3.41Å; H56-G59 PolarHBondContact O-N 3.33Å; K57-G59 PolarHBondContact O-N 2.97Å; G59-I272 WeakPolarHBondContact O-CD1 3.38Å; G59-I272 VanDerWaalsContact O-CG1 3.27Å; G59-I272 WeakPolarHBondContact O-CG1 3.21Å; G59-K273 WeakPolarHBondContact O-CE 3.45Å
60D98.3Very high98.8Very high27 Ų2743.3 Ų43.314%0.14421%0.208CC..SBendtrans-96.7-14.1-178.4-65-30.3000113.7R21 I25 F55 N58 S271 I272 K273R21-D60 VanDerWaalsContact CZ-CB 3.45Å; R21-D60 IonicContact CZ-OD2 3.39Å; R21-D60 IonicContact NH1-OD2 3.65Å; R21-D60 PolarHBondContact NH1-OD2 3.36Å; R21-D60 IonicContact NH2-OD2 3.51Å; I25-D60 WeakPolarHBondContact CD1-O 3.45Å; F55-D60 PolarHBondContact O-N 3.43Å; N58-D60 VanDerWaalsContact C-N 3.33Å; D60-S271 WeakPolarHBondContact CA-OG 3.49Å; D60-S271 WeakPolarHBondContact CB-OG 3.37Å; D60-S271 PolarHBondContact OD1-OG 3.48Å; D60-I272 PolarHBondContact O-N 3.14Å; D60-I272 VanDerWaalsContact O-N 3.08Å; D60-K273 WeakPolarHBondContact OD1-CE 3.37Å; D60-K273 IonicContact OD1-NZ 3.99Å; D60-K273 PolarHBondContact OD1-NZ 3.13Å
61L98.8Very high98.7Very high1 Ų138.6 Ų38.61%0.00519%0.188CC..  trans-144.5140.3-177.6-17862.4000110.4R21 I24 I25 L52 F55 H56 F63R21-L61 HydrophobicContact CB-CD2 4.09Å; R21-L61 HydrophobicContact CG-CD1 4.31Å; R21-L61 HydrophobicContact CG-CD2 4.36Å; I24-L61 HydrophobicContact CB-CD1 4.05Å; I24-L61 HydrophobicContact CD1-CD1 4.24Å; I24-L61 HydrophobicContact CG2-CD1 3.87Å; I25-L61 HydrophobicContact CD1-CD1 4.3Å; I25-L61 HydrophobicContact CG1-CD1 4.08Å; L52-L61 HydrophobicContact CD2-CD2 3.89Å; F55-L61 HydrophobicContact CB-CB 4.01Å; F55-L61 HydrophobicContact CB-CD2 4.36Å; F55-L61 PolarHBondContact O-N 3.32Å; H56-L61 WeakPolarHBondContact CA-O 3.42Å; H56-L61 PolarHBondContact ND1-O 3Å; L61-F63 HydrophobicContact CD2-CE1 4.46Å; L61-F63 HydrophobicContact CD2-CE2 3.67Å; L61-F63 HydrophobicContact CD2-CZ 3.53Å; L61-F63 HydrophobicContact CG-CE2 3.92Å; L61-F63 HydrophobicContact CG-CZ 4.14Å
62S98.7Very high98.7Very high34 Ų3435.9 Ų35.924%0.23818%0.177CC..  trans-127.3142.9173.7170.40000110.1K64 D98S62-K64 WeakPolarHBondContact OG-CB 3.31Å; S62-K64 PolarHBondContact OG-N 2.88Å; S62-D98 WeakPolarHBondContact CB-OD2 3.27Å; S62-D98 PolarHBondContact OG-OD2 2.96Å
63F98.9Very high98.7Very high0 Ų036 Ų360%018%0.177CC..  trans-106.56.8176.2-66-90.5000112.6I24 L52 H56 L61 Y65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.36Å; I24-F63 HydrophobicContact CD1-CE1 3.85Å; L52-F63 HydrophobicContact CB-CZ 4.17Å; L52-F63 HydrophobicContact CD2-CZ 4.33Å; H56-F63 HydrophobicContact CB-CE2 4.35Å; L61-F63 HydrophobicContact CD2-CE1 4.46Å; L61-F63 HydrophobicContact CD2-CE2 3.67Å; L61-F63 HydrophobicContact CD2-CZ 3.53Å; L61-F63 HydrophobicContact CG-CE2 3.92Å; L61-F63 HydrophobicContact CG-CZ 4.14Å; F63-Y65 PolarHBondContact O-N 2.99Å; F63-Y65 VanDerWaalsContact O-N 3.14Å; F63-V66 HydrophobicContact CB-CB 4.28Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.19Å; F63-V66 HydrophobicContact CD1-CG2 3.98Å; F63-V66 WeakPolarHBondContact O-CB 3.34Å; F63-V66 PolarHBondContact O-N 2.97Å; F63-F93 HydrophobicContact CD1-CZ 4.37Å; F63-F93 AromaticContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE2-CZ 4.37Å; F63-F93 HydrophobicContact CZ-CE2 4.2Å; F63-F93 AromaticContact CZ-CZ 3.74Å; F63-F93 HydrophobicContact CZ-CZ 3.74Å; F63-I97 HydrophobicContact CB-CD1 4.1Å; F63-I97 HydrophobicContact CD1-CD1 4.16Å; F63-I97 HydrophobicContact CD2-CB 3.86Å; F63-I97 HydrophobicContact CD2-CD1 3.89Å; F63-I97 HydrophobicContact CD2-CG1 4.38Å; F63-I97 HydrophobicContact CD2-CG2 4.02Å; F63-I97 HydrophobicContact CE2-CB 4.4Å; F63-I97 HydrophobicContact CE2-CD1 4.34Å; F63-I97 HydrophobicContact CE2-CG2 4.04Å; F63-I97 HydrophobicContact CG-CB 4.47Å; F63-I97 HydrophobicContact CG-CD1 3.79Å; F63-D98 PolarHBondContact N-OD1 2.84Å; F63-I99 HydrophobicContact CB-CB 3.94Å; F63-I99 HydrophobicContact CB-CG1 4.47Å
64K98.7Very high98.6Very high114 Ų11435.3 Ų35.350%0.49617%0.174SC..THydrogen-bonded Turntrans-51.7-39.1-178.8-179.2175.6179.3176.60113.8S62S62-K64 WeakPolarHBondContact OG-CB 3.31Å; S62-K64 PolarHBondContact OG-N 2.88Å
65Y98.8Very high98.6Very high72 Ų7232.6 Ų32.628%0.28216%0.162SC..THydrogen-bonded Turntrans-111.233.2178.5-57.4-59.4000112.3P29 S30 A31 Y34 F35 F63P29-Y65 WeakPolarHBondContact CB-O 3.39Å; P29-Y65 WeakPolarHBondContact O-CD2 3.18Å; S30-Y65 VanDerWaalsContact C-CD1 3.5Å; S30-Y65 VanDerWaalsContact C-CG 3.5Å; A31-Y65 HydrophobicContact CB-CD1 4.4Å; A31-Y65 HydrophobicContact CB-CE1 3.75Å; Y34-Y65 VanDerWaalsContact CA-O 3.3Å; Y34-Y65 WeakPolarHBondContact CA-O 3.47Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.36Å; Y34-Y65 HydrophobicContact CE1-CD1 4.13Å; F35-Y65 PolarHBondContact N-O 3.06Å; F63-Y65 PolarHBondContact O-N 2.99Å; F63-Y65 VanDerWaalsContact O-N 3.14Å
66V98.9Very high98.4Very high0 Ų034.4 Ų34.40%019%0.186CC..EExtended strand (participates in β ladder)trans-107.3137173.11780000109.4I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG1-CG2 4.5Å; I24-V66 HydrophobicContact CG2-CG2 4.24Å; F35-V66 HydrophobicContact CB-CG2 4.37Å; F35-V66 HydrophobicContact CD1-CG1 4.44Å; F35-V66 CarbonylContact O-C 3.53Å; F35-V66 VanDerWaalsContact O-CA 3.31Å; F35-V66 WeakPolarHBondContact O-CA 3.27Å; L37-V66 HydrophobicContact CB-CG1 4.14Å; L37-V66 HydrophobicContact CD2-CG1 4.48Å; F63-V66 HydrophobicContact CB-CB 4.28Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.19Å; F63-V66 HydrophobicContact CD1-CG2 3.98Å; F63-V66 WeakPolarHBondContact O-CB 3.34Å; F63-V66 PolarHBondContact O-N 2.97Å; V66-T68 HydrophobicContact CG1-CG2 4.14Å; V66-N103 WeakPolarHBondContact O-CB 3.49Å
67K98.9Very high98.3Very high54 Ų5433.1 Ų33.124%0.23518%0.181CC..EExtended strand (participates in β ladder)trans-109.9130.6167.9-75.7174.7179.8178.70109.2Y34 F35 T36 L37 F69 N103 A128Y34-K67 HydrophobicContact CD1-CD 4.16Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CG-CD 4.02Å; Y34-K67 HydrophobicContact CG-CG 4.11Å; F35-K67 PolarHBondContact O-N 3.25Å; T36-K67 CarbonylContact C-O 3.51Å; T36-K67 WeakPolarHBondContact CA-O 3.45Å; T36-K67 HydrophobicContact CG2-CB 4.29Å; L37-K67 PolarHBondContact N-O 3.14Å; K67-F69 HydrophobicContact CB-CE2 4.11Å; K67-N103 CarbonylContact C-O 3.59Å; K67-N103 VanDerWaalsContact CA-O 3.3Å; K67-N103 WeakPolarHBondContact CA-O 3.37Å; K67-N103 VanDerWaalsContact CE-OD1 3.24Å; K67-N103 WeakPolarHBondContact CE-OD1 3.48Å; K67-N103 HydrophobicContact CG-CB 3.8Å; K67-N103 WeakPolarHBondContact CG-OD1 3.43Å; K67-A128 HydrophobicContact CD-CB 4.27Å
68T98.9Very high98.3Very high0 Ų029.8 Ų29.80%017%0.174CC..EExtended strand (participates in β ladder)trans-109.7148179.161.50000112.1L37 L39 V66 F94 I99 N103 A104 S105L37-T68 HydrophobicContact CB-CG2 4.39Å; L37-T68 CarbonylContact O-C 3.53Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.27Å; L39-T68 HydrophobicContact CD1-CG2 3.57Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; V66-T68 HydrophobicContact CG1-CG2 4.14Å; T68-F94 HydrophobicContact CG2-CE1 4.21Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.15Å; T68-I99 HydrophobicContact CG2-CD1 3.6Å; T68-N103 PolarHBondContact N-O 3.15Å; T68-A104 WeakPolarHBondContact OG1-CA 3.2Å; T68-S105 WeakPolarHBondContact O-CA 3.32Å; T68-S105 VanDerWaalsContact O-CB 3.22Å; T68-S105 WeakPolarHBondContact O-CB 3.29Å; T68-S105 PolarHBondContact O-N 2.94Å; T68-S105 PolarHBondContact O-OG 2.99Å
69F98.9Very high98.2Very high2 Ų232.5 Ų32.51%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-135.7109.8176.2-63.8-91.6000108.9T36 L37 G38 L39 K67 S105 F121 K124 I125 A128 I131T36-F69 HydrophobicContact CG2-CE2 4.35Å; L37-F69 PolarHBondContact O-N 2.9Å; G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.25Å; G38-F69 WeakPolarHBondContact CA-O 3.37Å; L39-F69 PolarHBondContact N-O 2.82Å; K67-F69 HydrophobicContact CB-CE2 4.11Å; F69-S105 WeakPolarHBondContact CA-O 3.23Å; F69-F121 HydrophobicContact CB-CE1 4.36Å; F69-F121 HydrophobicContact CB-CZ 4.06Å; F69-F121 HydrophobicContact CD1-CE1 4.28Å; F69-F121 HydrophobicContact CD1-CE2 4.4Å; F69-F121 AromaticContact CD1-CZ 3.97Å; F69-F121 HydrophobicContact CD1-CZ 3.97Å; F69-K124 HydrophobicContact CE1-CB 4.21Å; F69-K124 HydrophobicContact CE1-CD 4.1Å; F69-K124 HydrophobicContact CE1-CG 3.91Å; F69-K124 HydrophobicContact CZ-CG 4.44Å; F69-I125 HydrophobicContact CD1-CD1 4.39Å; F69-I125 HydrophobicContact CD1-CG1 3.52Å; F69-I125 HydrophobicContact CE1-CB 4.48Å; F69-I125 HydrophobicContact CE1-CG1 3.7Å; F69-I125 HydrophobicContact CG-CG1 4.03Å; F69-I125 HydrophobicContact CZ-CG1 4.35Å; F69-A128 HydrophobicContact CE2-CB 4.07Å; F69-A128 HydrophobicContact CZ-CB 3.76Å; F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.38Å; F69-I131 HydrophobicContact CE2-CD1 3.96Å; F69-I131 HydrophobicContact CG-CD1 3.86Å
70N98.8Very high98.1Very high0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-74.2149.8175.9-86.675.8000111.9L39 D72 M89 S105 I106 F121L39-N70 WeakPolarHBondContact O-CA 3.45Å; L39-N70 PolarHBondContact O-ND2 2.84Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 2.85Å; N70-M89 WeakPolarHBondContact ND2-CG 3.33Å; N70-M89 PolarHBondContact ND2-SD 2.82Å; N70-S105 PolarHBondContact N-O 2.78Å; N70-I106 HydrophobicContact CB-CB 4.34Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.21Å; N70-F121 WeakPolarHBondContact O-CZ 3.38Å
71M98.3Very high98.1Very high13 Ų1337 Ų376%0.06420%0.204CC..SBendtrans-64.6-34-179.4-70.7-173.6-36.700113.9L39 P40 F134 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 3.23Å; L39-M71 VanDerWaalsContact O-N 3.09Å; P40-M71 HydrophobicContact CB-CE 3.38Å; P40-M71 HydrophobicContact CB-SD 3.96Å; M71-F134 HydrophobicContact CG-CE1 3.33Å; M71-F134 HydrophobicContact CG-CZ 3.6Å; M71-F134 HydrophobicContact SD-CE1 3.9Å; M71-I144 HydrophobicContact SD-CD1 4Å; M71-A145 HydrophobicContact CB-CB 3.76Å; M71-A145 HydrophobicContact CE-CB 4.35Å; M71-A145 HydrophobicContact CG-CB 4.25Å; M71-A145 HydrophobicContact SD-CB 4.15Å; M71-T187 CarbonylContact O-C 3.58Å; M71-T187 WeakPolarHBondContact O-CA 3.48Å; M71-V188 HydrophobicContact CB-CG2 4.18Å; M71-V188 HydrophobicContact CG-CG2 4.37Å; M71-V188 WeakPolarHBondContact O-CG2 3.34Å; M71-V188 PolarHBondContact O-N 3.33Å
72D98.2Very high97.9Very high4 Ų441 Ų412%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-163.3165.9-163.930.451000112.6N70 Y85 A145 F146 L186N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 2.85Å; D72-Y85 HydrophobicContact CB-CE2 4.45Å; D72-Y85 WeakPolarHBondContact O-CD2 3.3Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.25Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.4Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.12Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.44Å; D72-A145 WeakPolarHBondContact OD2-CB 3.39Å; D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.81Å; D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.35Å; D72-L186 WeakPolarHBondContact CB-O 3.31Å
73E98.4Very high97.8Very high3 Ų342.4 Ų42.41%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-153.7148.3166.6-179.757.1-8900109.9Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 2.86Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.42Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.45Å; E73-Y85 PolarHBondContact OE2-N 2.97Å; E73-H86 IonicContact OE2-CD2 3.31Å; E73-H86 PolarHBondContact OE2-CD2 3.36Å; E73-H86 IonicContact OE2-CG 3.18Å; E73-H86 PolarHBondContact OE2-N 3.03Å; E73-H86 IonicContact OE2-NE2 3.98Å; E73-I106 HydrophobicContact CB-CG2 4.19Å; E73-L107 HydrophobicContact CB-CB 4.14Å; E73-L107 WeakPolarHBondContact CB-O 3.3Å; E73-A185 CarbonylContact O-C 3.58Å; E73-A185 VanDerWaalsContact O-CA 3.27Å; E73-A185 WeakPolarHBondContact O-CA 3.39Å; E73-A185 WeakPolarHBondContact O-CB 3.43Å; E73-L186 PolarHBondContact N-O 2.93Å; E73-L186 PolarHBondContact O-N 3.3Å
74Y97.8Very high97.7Very high2 Ų242.4 Ų42.41%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-69138175.3-69-62.4000112.6L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.78Å; Y74-L77 HydrophobicContact CG-CD2 4.35Å; Y74-Y85 HydrophobicContact CD2-CE1 4.38Å; Y74-Y85 HydrophobicContact CE2-CD1 4.23Å; Y74-Y85 AromaticContact CE2-CE1 3.68Å; Y74-Y85 HydrophobicContact CE2-CE1 3.68Å; Y74-Y85 AromaticContact CE2-CZ 3.93Å; Y74-G109 WeakPolarHBondContact O-CA 3.39Å; Y74-F146 HydrophobicContact CE1-CE2 4.34Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y74-L162 HydrophobicContact CD1-CD1 4.28Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; Y74-N170 PolarHBondContact OH-ND2 2.9Å; Y74-F174 HydrophobicContact CE2-CE2 4.4Å; Y74-F174 HydrophobicContact CE2-CZ 4.07Å; Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.81Å; Y74-P182 HydrophobicContact CD2-CG 4.36Å; Y74-P182 HydrophobicContact CE1-CG 4.46Å; Y74-P182 HydrophobicContact CG-CB 4.01Å; Y74-P182 HydrophobicContact CG-CG 3.73Å
75V97.9Very high97.7Very high24 Ų2438.4 Ų38.415%0.14522%0.215CC..THydrogen-bonded Turntrans-78.8133.7173.61740000110.2L77 G109 L114 M184 L186V75-L77 PolarHBondContact O-N 3.08Å; V75-G109 CarbonylContact C-O 3.57Å; V75-G109 VanDerWaalsContact CA-O 3.31Å; V75-G109 WeakPolarHBondContact CA-O 3.37Å; V75-L114 HydrophobicContact CG1-CD1 3.82Å; V75-L114 HydrophobicContact CG1-CD2 4.36Å; V75-L114 HydrophobicContact CG2-CD1 4.14Å; V75-L114 HydrophobicContact CG2-CD2 4.4Å; V75-M184 HydrophobicContact CB-CB 4.02Å; V75-M184 HydrophobicContact CG1-CE 4.16Å; V75-M184 HydrophobicContact CG2-CB 4.14Å; V75-M184 PolarHBondContact N-O 3.1Å; V75-L186 HydrophobicContact CG2-CD2 3.89Å; V75-L186 HydrophobicContact CG2-CG 3.92Å
76G96.1Very high97.7Very high56 Ų5636 Ų3658%0.57721%0.206SC*.THydrogen-bonded Turntrans73.94.3174.700000115.5G109G76-G109 PolarHBondContact N-O 2.99Å
77L96.2Very high97.7Very high16 Ų1636.6 Ų36.68%0.08421%0.21CC..SBendtrans-88.7124.9173.7-166.868.3000109.2Y74 V75 R79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.78Å; Y74-L77 HydrophobicContact CG-CD2 4.35Å; V75-L77 PolarHBondContact O-N 3.08Å; L77-R79 PolarHBondContact O-N 3.18Å; L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.35Å; L77-H81 HydrophobicContact CG-CB 3.91Å; L77-N110 PolarHBondContact O-ND2 3.36Å; L77-N110 PolarHBondContact O-OD1 3.03Å; L77-F174 HydrophobicContact CD1-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CE1 4.18Å; L77-F174 HydrophobicContact CD2-CZ 4.2Å; L77-P182 HydrophobicContact CB-CG 4.16Å; L77-P182 HydrophobicContact CD1-CG 4.29Å; L77-P182 HydrophobicContact CD2-CG 4.35Å
78P97.5Very high97.6Very high74 Ų7435.6 Ų35.648%0.48121%0.206SC..  trans-53136.1-177.9-27.334000111.6A80 H81P78-A80 PolarHBondContact O-N 2.88Å; P78-A80 VanDerWaalsContact O-N 3.07Å; P78-H81 HydrophobicContact CB-CB 4.26Å; P78-H81 WeakPolarHBondContact O-CB 3.33Å; P78-H81 PolarHBondContact O-N 3.08Å
79R96.7Very high97.6Very high155 Ų15535.6 Ų35.659%0.58521%0.206SC*.THydrogen-bonded Turntrans-52.5-37.5-177.4-171.3176.3-175.7-179.41.2113.5L77 S84 H86 S87L77-R79 PolarHBondContact O-N 3.18Å; R79-S84 PolarHBondContact O-OG 2.78Å; R79-H86 HydrophobicContact CG-CB 3.74Å; R79-H86 PolarHBondContact NE-CE1 3.46Å; R79-H86 VanDerWaalsContact NE-CE1 3.33Å; R79-H86 PolarHBondContact NE-ND1 3.46Å; R79-H86 PolarHBondContact NH2-CE1 3.29Å; R79-H86 PolarHBondContact NH2-ND1 2.91Å; R79-S87 PolarHBondContact O-OG 3.24Å
80A96.4Very high97.6Very high92 Ų9241.6 Ų41.676%0.7623%0.228SC*.THydrogen-bonded Turntrans-87.31179.100000114.3P78P78-A80 PolarHBondContact O-N 2.88Å; P78-A80 VanDerWaalsContact O-N 3.07Å
81H97.4Very high97.6Very high60 Ų6044.8 Ų44.828%0.27825%0.245SC..SBendtrans-60137.1174.5-172.8-84.7000109.3L77 P78 E83 S84 S87L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.35Å; L77-H81 HydrophobicContact CG-CB 3.91Å; P78-H81 HydrophobicContact CB-CB 4.26Å; P78-H81 WeakPolarHBondContact O-CB 3.33Å; P78-H81 PolarHBondContact O-N 3.08Å; H81-E83 PolarHBondContact ND1-N 3.34Å; H81-E83 VanDerWaalsContact ND1-N 3.11Å; H81-E83 PolarHBondContact O-N 2.82Å; H81-E83 VanDerWaalsContact O-N 3.12Å; H81-S84 WeakPolarHBondContact O-CB 3.47Å; H81-S84 PolarHBondContact O-N 2.95Å; H81-S84 PolarHBondContact O-OG 2.8Å; H81-S87 WeakPolarHBondContact O-CB 3.23Å; H81-S87 PolarHBondContact O-OG 3.08Å
82P95.8Very high97.6Very high86 Ų8646.3 Ų46.356%0.55825%0.254SS*.THydrogen-bonded Turntrans-57-32.7-17520-33.1000113.6
83E95.8Very high97.6Very high64 Ų6446.1 Ų46.130%0.29925%0.253SS..THydrogen-bonded Turntrans-91.74.4179.3-52-54143.200114.8H81 F173 F174H81-E83 PolarHBondContact ND1-N 3.34Å; H81-E83 VanDerWaalsContact ND1-N 3.11Å; H81-E83 PolarHBondContact O-N 2.82Å; H81-E83 VanDerWaalsContact O-N 3.12Å; E83-F173 HydrophobicContact CG-CB 4.17Å; E83-F173 WeakPolarHBondContact CG-O 3.43Å; E83-F173 WeakPolarHBondContact OE2-CB 3.27Å; E83-F174 HydrophobicContact CB-CE1 4.08Å; E83-F174 HydrophobicContact CB-CZ 3.94Å
84S98Very high97.7Very high0 Ų046.7 Ų46.70%026%0.255CS..SBendtrans-68.1151169.873.60000110.1R79 H81 H86 S87 Y88R79-S84 PolarHBondContact O-OG 2.78Å; H81-S84 WeakPolarHBondContact O-CB 3.47Å; H81-S84 PolarHBondContact O-N 2.95Å; H81-S84 PolarHBondContact O-OG 2.8Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.21Å; S84-S87 PolarHBondContact O-N 2.9Å; S84-S87 VanDerWaalsContact OG-CB 3.28Å; S84-S87 WeakPolarHBondContact OG-CB 3.35Å; S84-S87 PolarHBondContact OG-N 2.78Å; S84-S87 PolarHBondContact OG-OG 2.82Å; S84-S87 VanDerWaalsContact OG-OG 3.05Å; S84-Y88 PolarHBondContact O-N 3.48Å
85Y98.2Very high97.7Very high29 Ų2951.2 Ų51.211%0.11428%0.275CS..Hα-helixtrans-72.1-26177-69.7-5.1000111.8T41 D72 E73 Y74 Y88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.96Å; T41-Y85 HydrophobicContact CG2-CG 3.69Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.48Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.41Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.26Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; D72-Y85 HydrophobicContact CB-CE2 4.45Å; D72-Y85 WeakPolarHBondContact O-CD2 3.3Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.25Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.4Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.12Å; E73-Y85 PolarHBondContact OE1-N 2.86Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.42Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.45Å; E73-Y85 PolarHBondContact OE2-N 2.97Å; Y74-Y85 HydrophobicContact CD2-CE1 4.38Å; Y74-Y85 HydrophobicContact CE2-CD1 4.23Å; Y74-Y85 AromaticContact CE2-CE1 3.68Å; Y74-Y85 HydrophobicContact CE2-CE1 3.68Å; Y74-Y85 AromaticContact CE2-CZ 3.93Å; Y85-Y88 PolarHBondContact O-N 3.42Å; Y85-M89 WeakPolarHBondContact O-CB 3.32Å; Y85-M89 VanDerWaalsContact O-CG 3.3Å; Y85-M89 WeakPolarHBondContact O-CG 3.1Å; Y85-M89 PolarHBondContact O-N 2.88Å; Y85-F146 AromaticContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CZ 4.07Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.48Å
86H98.3Very high97.7Very high21 Ų2153.1 Ų53.110%0.09728%0.282CS..Hα-helixtrans-54.1-52.9162.6-79.4-87.1000112E73 R79 S84 W90 L107E73-H86 IonicContact OE2-CD2 3.31Å; E73-H86 PolarHBondContact OE2-CD2 3.36Å; E73-H86 IonicContact OE2-CG 3.18Å; E73-H86 PolarHBondContact OE2-N 3.03Å; E73-H86 IonicContact OE2-NE2 3.98Å; R79-H86 HydrophobicContact CG-CB 3.74Å; R79-H86 PolarHBondContact NE-CE1 3.46Å; R79-H86 VanDerWaalsContact NE-CE1 3.33Å; R79-H86 PolarHBondContact NE-ND1 3.46Å; R79-H86 PolarHBondContact NH2-CE1 3.29Å; R79-H86 PolarHBondContact NH2-ND1 2.91Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.21Å; H86-W90 VanDerWaalsContact O-CB 3.3Å; H86-W90 WeakPolarHBondContact O-CB 3.48Å; H86-W90 PolarHBondContact O-N 2.91Å; H86-L107 PolarHBondContact NE2-O 2.62Å
87S98.3Very high97.9Very high13 Ų1351.2 Ų51.29%0.09126%0.258CS..Hα-helixtrans-66.3-41.6179.4-70.90000112.1R79 H81 S84 N91R79-S87 PolarHBondContact O-OG 3.24Å; H81-S87 WeakPolarHBondContact O-CB 3.23Å; H81-S87 PolarHBondContact O-OG 3.08Å; S84-S87 PolarHBondContact O-N 2.9Å; S84-S87 VanDerWaalsContact OG-CB 3.28Å; S84-S87 WeakPolarHBondContact OG-CB 3.35Å; S84-S87 PolarHBondContact OG-N 2.78Å; S84-S87 PolarHBondContact OG-OG 2.82Å; S84-S87 VanDerWaalsContact OG-OG 3.05Å; S87-N91 WeakPolarHBondContact O-CB 3.44Å; S87-N91 PolarHBondContact O-N 3.29Å; S87-N91 PolarHBondContact O-ND2 2.68Å
88Y98.6Very high98Very high34 Ų3453.2 Ų53.213%0.13327%0.269CS..Hα-helixtrans-57.1-54.1176.3177.2-79.4000110.5T41 G42 Y49 S84 Y85 W90 N91 N92T41-Y88 HydrophobicContact CG2-CD1 3.68Å; T41-Y88 HydrophobicContact CG2-CE1 4.17Å; T41-Y88 HydrophobicContact CG2-CG 4.27Å; G42-Y88 PolarHBondContact O-OH 3.47Å; Y49-Y88 HydrophobicContact CD2-CE1 4.3Å; Y49-Y88 AromaticContact CE2-CE1 3.95Å; Y49-Y88 HydrophobicContact CE2-CE1 3.95Å; S84-Y88 PolarHBondContact O-N 3.48Å; Y85-Y88 PolarHBondContact O-N 3.42Å; Y88-W90 PolarHBondContact O-N 2.8Å; Y88-N91 PolarHBondContact O-N 2.93Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.27Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.27Å; Y88-N92 HydrophobicContact CE1-CB 4.35Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.4Å; Y88-N92 WeakPolarHBondContact O-CB 3.31Å; Y88-N92 PolarHBondContact O-N 3.3Å; Y88-N92 PolarHBondContact O-ND2 2.89Å
89M98.7Very high98.1Very high0 Ų050.4 Ų50.40%025%0.25CC..Hα-helixtrans-67.2-40.3-175-71-56.5-64.400111.8L39 T41 Y49 N70 Y85 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.18Å; L39-M89 HydrophobicContact CD1-CE 3.65Å; T41-M89 HydrophobicContact CG2-CG 4.08Å; T41-M89 HydrophobicContact CG2-SD 3.94Å; Y49-M89 HydrophobicContact CE1-CE 4.29Å; Y49-M89 HydrophobicContact CE2-SD 4.29Å; N70-M89 WeakPolarHBondContact ND2-CG 3.33Å; N70-M89 PolarHBondContact ND2-SD 2.82Å; Y85-M89 WeakPolarHBondContact O-CB 3.32Å; Y85-M89 VanDerWaalsContact O-CG 3.3Å; Y85-M89 WeakPolarHBondContact O-CG 3.1Å; Y85-M89 PolarHBondContact O-N 2.88Å; M89-F93 HydrophobicContact CE-CB 4.44Å; M89-F93 HydrophobicContact CE-CD1 3.99Å; M89-F93 CarbonylContact O-C 3.55Å; M89-F93 WeakPolarHBondContact O-CA 3.45Å; M89-F93 PolarHBondContact O-N 3.18Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 3.99Å; M89-F94 HydrophobicContact CE-CD1 4.37Å; M89-F94 HydrophobicContact CE-CE1 3.55Å; M89-F94 HydrophobicContact CE-CE2 4.11Å; M89-F94 HydrophobicContact CE-CZ 3.38Å; M89-F94 HydrophobicContact CG-CE2 4.24Å; M89-F94 HydrophobicContact CG-CZ 4.37Å; M89-F94 PolarHBondContact O-N 3.03Å; M89-I106 HydrophobicContact CB-CD1 3.87Å; M89-I106 HydrophobicContact CG-CD1 3.96Å
90W98.6Very high98.1Very high127 Ų12746.8 Ų46.848%0.48124%0.242SC..Hα-helixtrans-60.9-49.9175.1-177.1-109.9000111.7H86 Y88 F94 K95H86-W90 VanDerWaalsContact O-CB 3.3Å; H86-W90 WeakPolarHBondContact O-CB 3.48Å; H86-W90 PolarHBondContact O-N 2.91Å; Y88-W90 PolarHBondContact O-N 2.8Å; W90-F94 HydrophobicContact CE3-CB 4.01Å; W90-F94 HydrophobicContact CZ3-CB 4.42Å; W90-K95 HydrophobicContact CD2-CB 4.03Å; W90-K95 HydrophobicContact CE3-CB 4.37Å; W90-K95 HydrophobicContact CH2-CB 4.21Å; W90-K95 HydrophobicContact CZ2-CB 3.84Å; W90-K95 HydrophobicContact CZ3-CB 4.45Å; W90-K95 WeakPolarHBondContact O-CB 3.41Å; W90-K95 WeakPolarHBondContact O-CD 3.29Å; W90-K95 WeakPolarHBondContact O-CG 3.47Å; W90-K95 PolarHBondContact O-N 3.41Å
91N98.5Very high98.2Very high67 Ų6746.6 Ų46.636%0.35823%0.233SC..Hα-helixtrans-76.4-31.9-172.6-72.9-46.5000114.1S87 Y88 K95 H96S87-N91 WeakPolarHBondContact O-CB 3.44Å; S87-N91 PolarHBondContact O-N 3.29Å; S87-N91 PolarHBondContact O-ND2 2.68Å; Y88-N91 PolarHBondContact O-N 2.93Å; N91-K95 WeakPolarHBondContact O-CE 3.45Å; N91-K95 PolarHBondContact OD1-NZ 3.46Å; N91-H96 PolarHBondContact O-NE2 2.6Å
92N98.7Very high98.2Very high46 Ų4647.1 Ų47.125%0.24625%0.248CC..Hα-helixtrans-101.1-13.1-173.8-61.1-48.8000113.5F46 I53 Y88F46-N92 HydrophobicContact CD2-CB 4.24Å; F46-N92 HydrophobicContact CE2-CB 4.11Å; F46-N92 WeakPolarHBondContact CE2-OD1 3.48Å; I53-N92 WeakPolarHBondContact CD1-O 3.43Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.27Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.27Å; Y88-N92 HydrophobicContact CE1-CB 4.35Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.4Å; Y88-N92 WeakPolarHBondContact O-CB 3.31Å; Y88-N92 PolarHBondContact O-N 3.3Å; Y88-N92 PolarHBondContact O-ND2 2.89Å
93F98.9Very high98.3Very high0 Ų043.9 Ų43.90%023%0.226CC..THydrogen-bonded Turntrans-143-67.9-178.2-168.3-136.4000114.4L39 Y49 L52 I53 F63 M89 K95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.16Å; L39-F93 HydrophobicContact CD1-CE1 3.9Å; Y49-F93 HydrophobicContact CD1-CB 3.98Å; Y49-F93 AromaticContact CD1-CD1 3.73Å; Y49-F93 HydrophobicContact CD1-CD1 3.73Å; 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 3.94Å; Y49-F93 HydrophobicContact CD1-CE2 3.94Å; 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 4.43Å; Y49-F93 AromaticContact CE1-CD1 3.7Å; Y49-F93 HydrophobicContact CE1-CD1 3.7Å; Y49-F93 HydrophobicContact CE1-CD2 4.41Å; Y49-F93 AromaticContact CE1-CE1 3.99Å; Y49-F93 HydrophobicContact CE1-CE1 3.99Å; Y49-F93 AromaticContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CZ 4.46Å; Y49-F93 HydrophobicContact CG-CB 4.14Å; Y49-F93 HydrophobicContact CG-CD2 4.18Å; Y49-F93 HydrophobicContact CG-CG 4.11Å; L52-F93 HydrophobicContact CB-CE2 3.82Å; L52-F93 HydrophobicContact CB-CZ 4.37Å; L52-F93 HydrophobicContact CD1-CE2 4.15Å; L52-F93 HydrophobicContact CD1-CZ 4.04Å; I53-F93 HydrophobicContact CD1-CD2 4.34Å; I53-F93 HydrophobicContact CG1-CD2 4.02Å; I53-F93 HydrophobicContact CG1-CE2 4.44Å; F63-F93 HydrophobicContact CD1-CZ 4.37Å; F63-F93 AromaticContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE1-CZ 3.74Å; F63-F93 HydrophobicContact CE2-CZ 4.37Å; F63-F93 HydrophobicContact CZ-CE2 4.2Å; F63-F93 AromaticContact CZ-CZ 3.74Å; F63-F93 HydrophobicContact CZ-CZ 3.74Å; M89-F93 HydrophobicContact CE-CB 4.44Å; M89-F93 HydrophobicContact CE-CD1 3.99Å; M89-F93 CarbonylContact O-C 3.55Å; M89-F93 WeakPolarHBondContact O-CA 3.45Å; M89-F93 PolarHBondContact O-N 3.18Å; F93-K95 PolarHBondContact O-N 3.31Å; F93-H96 PolarHBondContact O-N 2.88Å; F93-I97 HydrophobicContact CD1-CD1 4.09Å; F93-I97 HydrophobicContact CD2-CD1 4.15Å; F93-I97 HydrophobicContact CD2-CG2 4.34Å; F93-I97 HydrophobicContact CE1-CD1 3.71Å; F93-I97 HydrophobicContact CE2-CD1 3.77Å; F93-I97 HydrophobicContact CE2-CG2 4.02Å; F93-I97 HydrophobicContact CG-CD1 4.29Å; F93-I97 HydrophobicContact CZ-CD1 3.53Å
94F98.8Very high98.5Very high14 Ų1442 Ų426%0.06122%0.222CC..G310 helixtrans-61.6-37.9-163.4-60.6-29.9000114.4L39 T68 M89 W90 H96 I97 I99 A104 I106L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.47Å; T68-F94 HydrophobicContact CG2-CE1 4.21Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.15Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 3.99Å; M89-F94 HydrophobicContact CE-CD1 4.37Å; M89-F94 HydrophobicContact CE-CE1 3.55Å; M89-F94 HydrophobicContact CE-CE2 4.11Å; M89-F94 HydrophobicContact CE-CZ 3.38Å; M89-F94 HydrophobicContact CG-CE2 4.24Å; M89-F94 HydrophobicContact CG-CZ 4.37Å; M89-F94 PolarHBondContact O-N 3.03Å; W90-F94 HydrophobicContact CE3-CB 4.01Å; W90-F94 HydrophobicContact CZ3-CB 4.42Å; F94-H96 PolarHBondContact O-N 3.03Å; F94-H96 VanDerWaalsContact O-N 3.16Å; F94-I97 HydrophobicContact CD1-CD1 4.43Å; F94-I97 WeakPolarHBondContact O-CG1 3.43Å; F94-I97 PolarHBondContact O-N 2.9Å; F94-I99 HydrophobicContact CB-CG2 4.24Å; F94-I99 HydrophobicContact CD1-CG2 4.2Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; F94-A104 HydrophobicContact CD2-CB 4.08Å; F94-A104 HydrophobicContact CE2-CB 3.79Å; F94-A104 HydrophobicContact CZ-CB 4.05Å; F94-I106 HydrophobicContact CE2-CD1 4.05Å
95K98.4Very high98.5Very high97 Ų9742.2 Ų42.242%0.42222%0.223SC..G310 helixtrans-71.2-7.8179.880.5-172.6179.2-175.60114.6W90 N91 F93W90-K95 HydrophobicContact CD2-CB 4.03Å; W90-K95 HydrophobicContact CE3-CB 4.37Å; W90-K95 HydrophobicContact CH2-CB 4.21Å; W90-K95 HydrophobicContact CZ2-CB 3.84Å; W90-K95 HydrophobicContact CZ3-CB 4.45Å; W90-K95 WeakPolarHBondContact O-CB 3.41Å; W90-K95 WeakPolarHBondContact O-CD 3.29Å; W90-K95 WeakPolarHBondContact O-CG 3.47Å; W90-K95 PolarHBondContact O-N 3.41Å; N91-K95 WeakPolarHBondContact O-CE 3.45Å; N91-K95 PolarHBondContact OD1-NZ 3.46Å; F93-K95 PolarHBondContact O-N 3.31Å
96H98.8Very high98.5Very high64 Ų6441.9 Ų41.930%0.29622%0.223SC..G310 helixtrans-107.62.5-175.9-56.1-77.1000113.4I53 N91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.78Å; I53-H96 HydrophobicContact CG1-CB 3.87Å; I53-H96 HydrophobicContact CG2-CB 3.85Å; N91-H96 PolarHBondContact O-NE2 2.6Å; F93-H96 PolarHBondContact O-N 2.88Å; F94-H96 PolarHBondContact O-N 3.03Å; F94-H96 VanDerWaalsContact O-N 3.16Å
97I98.9Very high98.5Very high16 Ų1640.9 Ų40.98%0.08222%0.218CC..SBendtrans-130.8168.9-177.963.9178000110.8I53 H56 F63 F93 F94 I99I53-I97 HydrophobicContact CG1-CG2 4.08Å; H56-I97 HydrophobicContact CB-CG2 4.17Å; F63-I97 HydrophobicContact CB-CD1 4.1Å; F63-I97 HydrophobicContact CD1-CD1 4.16Å; F63-I97 HydrophobicContact CD2-CB 3.86Å; F63-I97 HydrophobicContact CD2-CD1 3.89Å; F63-I97 HydrophobicContact CD2-CG1 4.38Å; F63-I97 HydrophobicContact CD2-CG2 4.02Å; F63-I97 HydrophobicContact CE2-CB 4.4Å; F63-I97 HydrophobicContact CE2-CD1 4.34Å; F63-I97 HydrophobicContact CE2-CG2 4.04Å; F63-I97 HydrophobicContact CG-CB 4.47Å; F63-I97 HydrophobicContact CG-CD1 3.79Å; F93-I97 HydrophobicContact CD1-CD1 4.09Å; F93-I97 HydrophobicContact CD2-CD1 4.15Å; F93-I97 HydrophobicContact CD2-CG2 4.34Å; F93-I97 HydrophobicContact CE1-CD1 3.71Å; F93-I97 HydrophobicContact CE2-CD1 3.77Å; F93-I97 HydrophobicContact CE2-CG2 4.02Å; F93-I97 HydrophobicContact CG-CD1 4.29Å; F93-I97 HydrophobicContact CZ-CD1 3.53Å; F94-I97 HydrophobicContact CD1-CD1 4.43Å; F94-I97 WeakPolarHBondContact O-CG1 3.43Å; F94-I97 PolarHBondContact O-N 2.9Å; I97-I99 VanDerWaalsContact C-N 3.28Å; I97-I99 HydrophobicContact CD1-CB 3.98Å; I97-I99 HydrophobicContact CD1-CG2 3.82Å; I97-I99 HydrophobicContact CG1-CB 4.1Å; I97-I99 HydrophobicContact CG1-CG2 3.76Å; I97-I99 PolarHBondContact O-N 3.33Å
98D98.8Very high98.5Very high59 Ų5942.7 Ų42.732%0.31623%0.227SC..  trans-89.525.8-17967.7-27.9000114.1H56 S62 F63H56-D98 IonicContact CE1-OD1 2.96Å; H56-D98 PolarHBondContact CE1-OD1 3.44Å; H56-D98 IonicContact CE1-OD2 3.4Å; H56-D98 IonicContact ND1-OD1 3.83Å; H56-D98 PolarHBondContact ND1-OD1 3.14Å; H56-D98 PolarHBondContact NE2-N 2.87Å; H56-D98 IonicContact NE2-OD1 3.89Å; S62-D98 WeakPolarHBondContact CB-OD2 3.27Å; S62-D98 PolarHBondContact OG-OD2 2.96Å; F63-D98 PolarHBondContact N-OD1 2.84Å
99I98.8Very high98.5Very high14 Ų1441.2 Ų41.27%0.07222%0.222CC..  trans-69.1136.5173.7-163.5172.1000109.9F63 T68 F94 I97 P101 A104F63-I99 HydrophobicContact CB-CB 3.94Å; F63-I99 HydrophobicContact CB-CG1 4.47Å; T68-I99 HydrophobicContact CG2-CD1 3.6Å; F94-I99 HydrophobicContact CB-CG2 4.24Å; F94-I99 HydrophobicContact CD1-CG2 4.2Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; I97-I99 VanDerWaalsContact C-N 3.28Å; I97-I99 HydrophobicContact CD1-CB 3.98Å; I97-I99 HydrophobicContact CD1-CG2 3.82Å; I97-I99 HydrophobicContact CG1-CB 4.1Å; I97-I99 HydrophobicContact CG1-CG2 3.76Å; I97-I99 PolarHBondContact O-N 3.33Å; I99-P101 WeakPolarHBondContact O-CD 3.43Å; I99-A104 HydrophobicContact CD1-CB 4.43Å
100D98.4Very high98.4Very high79 Ų7944.6 Ų44.642%0.42224%0.24SC..  trans-68.8124.3169-177.5-19.9000109.3A102 N103D100-A102 PolarHBondContact O-N 2.88Å; D100-A102 VanDerWaalsContact O-N 3.11Å; D100-A102 WeakPolarHBondContact OD1-CB 3.48Å; D100-A102 PolarHBondContact OD1-N 3.16Å; D100-N103 HydrophobicContact CB-CB 4.33Å; D100-N103 WeakPolarHBondContact O-CA 3.45Å; D100-N103 WeakPolarHBondContact O-CB 3.44Å; D100-N103 PolarHBondContact O-N 3.36Å
101P97.3Very high98.2Very high88 Ų8841.8 Ų41.857%0.57123%0.234SC*.G310 helixtrans-53.4-30.5177.3-27.335.6000114.4I99 N103 A104I99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-N103 PolarHBondContact O-N 3.47Å; P101-A104 PolarHBondContact O-N 3.39Å; P101-A104 VanDerWaalsContact O-N 3.15Å
102A97.6Very high98.1Very high72 Ų7245.6 Ų45.660%0.59526%0.259SS*.G310 helixtrans-67.1-22.9176.300000112.9D100D100-A102 PolarHBondContact O-N 2.88Å; D100-A102 VanDerWaalsContact O-N 3.11Å; D100-A102 WeakPolarHBondContact OD1-CB 3.48Å; D100-A102 PolarHBondContact OD1-N 3.16Å
103N98.6Very high98.1Very high18 Ų1847.8 Ų47.810%0.09627%0.271CS..G310 helixtrans-90.1-1.3176.5-70.1-38.2000113Y34 V66 K67 T68 D100 P101Y34-N103 WeakPolarHBondContact CE1-ND2 3.36Å; V66-N103 WeakPolarHBondContact O-CB 3.49Å; K67-N103 CarbonylContact C-O 3.59Å; K67-N103 VanDerWaalsContact CA-O 3.3Å; K67-N103 WeakPolarHBondContact CA-O 3.37Å; K67-N103 VanDerWaalsContact CE-OD1 3.24Å; K67-N103 WeakPolarHBondContact CE-OD1 3.48Å; K67-N103 HydrophobicContact CG-CB 3.8Å; K67-N103 WeakPolarHBondContact CG-OD1 3.43Å; T68-N103 PolarHBondContact N-O 3.15Å; D100-N103 HydrophobicContact CB-CB 4.33Å; D100-N103 WeakPolarHBondContact O-CA 3.45Å; D100-N103 WeakPolarHBondContact O-CB 3.44Å; D100-N103 PolarHBondContact O-N 3.36Å; P101-N103 PolarHBondContact O-N 3.47Å
104A98.5Very high98Very high24 Ų2449.3 Ų49.320%0.19828%0.279CS..EExtended strand (participates in β ladder)trans-98.9112.1174.600000111.6T68 F94 I99 P101T68-A104 WeakPolarHBondContact OG1-CA 3.2Å; F94-A104 HydrophobicContact CD2-CB 4.08Å; F94-A104 HydrophobicContact CE2-CB 3.79Å; F94-A104 HydrophobicContact CZ-CB 4.05Å; I99-A104 HydrophobicContact CD1-CB 4.43Å; P101-A104 PolarHBondContact O-N 3.39Å; P101-A104 VanDerWaalsContact O-N 3.15Å
105S98.6Very high98Very high4 Ų455.3 Ų55.33%0.02831%0.308CS..EExtended strand (participates in β ladder)trans-110.6122.7-175.1-44.80000111.4T68 F69 N70 K124T68-S105 WeakPolarHBondContact O-CA 3.32Å; T68-S105 VanDerWaalsContact O-CB 3.22Å; T68-S105 WeakPolarHBondContact O-CB 3.29Å; T68-S105 PolarHBondContact O-N 2.94Å; T68-S105 PolarHBondContact O-OG 2.99Å; F69-S105 WeakPolarHBondContact CA-O 3.23Å; N70-S105 PolarHBondContact N-O 2.78Å; S105-K124 WeakPolarHBondContact OG-CE 3.46Å; S105-K124 PolarHBondContact OG-NZ 3.09Å
106I98.7Very high97.9Very high22 Ų2252.7 Ų52.711%0.11330%0.304CS..  trans-133.6139.4172.5-52.1-178.9000106.4N70 E73 M89 F94N70-I106 HydrophobicContact CB-CB 4.34Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.21Å; E73-I106 HydrophobicContact CB-CG2 4.19Å; M89-I106 HydrophobicContact CB-CD1 3.87Å; M89-I106 HydrophobicContact CG-CD1 3.96Å; F94-I106 HydrophobicContact CE2-CD1 4.05Å
107L98.6Very high97.9Very high0 Ų051.3 Ų51.30%030%0.297CS..  trans-55143.6175.5-73.4156.4000111.2E73 H86 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.14Å; E73-L107 WeakPolarHBondContact CB-O 3.3Å; H86-L107 PolarHBondContact NE2-O 2.62Å; L107-E117 WeakPolarHBondContact CA-OE1 3.39Å; L107-E117 HydrophobicContact CD2-CG 4.17Å; L107-F121 HydrophobicContact CD2-CB 3.62Å; L107-F121 HydrophobicContact CD2-CD1 4.14Å; L107-F121 HydrophobicContact CD2-CD2 3.73Å; L107-F121 HydrophobicContact CD2-CE2 4.41Å; L107-F121 HydrophobicContact CD2-CG 3.57Å; L107-F121 HydrophobicContact CG-CD1 4.32Å; L107-F121 HydrophobicContact CG-CD2 3.88Å; L107-F121 HydrophobicContact CG-CE1 4.46Å; L107-F121 HydrophobicContact CG-CE2 4.06Å; L107-F121 HydrophobicContact CG-CG 4.02Å; L107-F121 HydrophobicContact CG-CZ 4.34Å; L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.89Å; L107-L186 HydrophobicContact CB-CB 3.91Å; L107-L186 HydrophobicContact CB-CD1 4.07Å; L107-L186 HydrophobicContact CD1-CB 3.76Å; L107-L186 HydrophobicContact CD2-CB 4.29Å; L107-L186 HydrophobicContact CD2-CD1 4.35Å; L107-L186 HydrophobicContact CG-CB 4.19Å
108D98.1Very high97.9Very high52 Ų5250.7 Ų50.728%0.27830%0.295SS..  trans-94.397172.8-169.1-5000111.8N110 I111 E117 L186D108-N110 PolarHBondContact O-N 2.68Å; D108-N110 PolarHBondContact OD1-N 3.16Å; D108-I111 HydrophobicContact CB-CB 4.47Å; D108-I111 VanDerWaalsContact O-CG2 3.26Å; D108-I111 WeakPolarHBondContact O-CG2 3.45Å; D108-E117 HydrophobicContact CB-CG 4.48Å; D108-E117 PolarHBondContact N-OE1 3.4Å; D108-L186 WeakPolarHBondContact O-CD1 3.45Å
109G97.6Very high97.9Very high2 Ų254.7 Ų54.72%0.02131%0.312CS..THydrogen-bonded Turntrans-70.6-2.6177.100000115.6Y74 V75 G76Y74-G109 WeakPolarHBondContact O-CA 3.39Å; V75-G109 CarbonylContact C-O 3.57Å; V75-G109 VanDerWaalsContact CA-O 3.31Å; V75-G109 WeakPolarHBondContact CA-O 3.37Å; G76-G109 PolarHBondContact N-O 2.99Å
110N96.9Very high97.9Very high71 Ų7156.5 Ų56.538%0.3833%0.328SS..THydrogen-bonded Turntrans-109.92.4-178.8-61.8-80000113.8L77 D108L77-N110 PolarHBondContact O-ND2 3.36Å; L77-N110 PolarHBondContact O-OD1 3.03Å; D108-N110 PolarHBondContact O-N 2.68Å; D108-N110 PolarHBondContact OD1-N 3.16Å
111I95.6Very high97.9Very high69 Ų6953 Ų5335%0.35431%0.309SS..  trans-71.9151.9175.7-162.1167.8000111.2D108 L114 E117D108-I111 HydrophobicContact CB-CB 4.47Å; D108-I111 VanDerWaalsContact O-CG2 3.26Å; D108-I111 WeakPolarHBondContact O-CG2 3.45Å; I111-L114 HydrophobicContact CG2-CD2 4.02Å; I111-L114 WeakPolarHBondContact O-CD2 3.46Å; I111-E117 HydrophobicContact CD1-CB 4.48Å; I111-E117 HydrophobicContact CG2-CB 3.69Å; I111-E117 HydrophobicContact CG2-CG 4.1Å
112T95.4Very high98Very high146 Ų14649.7 Ų49.790%0.89629%0.286SS*.SBendtrans-68.9-44.3-178.6-51.10000112.6
113D97.8Very high98.1Very high92 Ų9252.6 Ų52.649%0.49229%0.285SS..  trans-10191.3179.6-168.1-23000110E115 A116 E117D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 3.15Å; D113-E115 PolarHBondContact OD1-N 3.26Å; D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 VanDerWaalsContact CG-CB 3.42Å; D113-A116 PolarHBondContact OD1-N 3.31Å; D113-E117 PolarHBondContact O-N 3.37Å
114L97.7Very high98.1Very high32 Ų3255.7 Ų55.717%0.16830%0.298CS..Hα-helixtrans-67.4-31.4-176.8-63.4179.1000112.8V75 I111 C118 V159 L186V75-L114 HydrophobicContact CG1-CD1 3.82Å; V75-L114 HydrophobicContact CG1-CD2 4.36Å; V75-L114 HydrophobicContact CG2-CD1 4.14Å; V75-L114 HydrophobicContact CG2-CD2 4.4Å; I111-L114 HydrophobicContact CG2-CD2 4.02Å; I111-L114 WeakPolarHBondContact O-CD2 3.46Å; L114-C118 PolarHBondContact O-N 2.88Å; L114-C118 PolarHBondContact O-SG 3.05Å; L114-V159 HydrophobicContact CB-CG2 3.61Å; L114-V159 HydrophobicContact CD1-CG2 3.95Å; L114-V159 HydrophobicContact CG-CG2 4.42Å; L114-L186 HydrophobicContact CB-CD2 3.99Å; L114-L186 HydrophobicContact CD2-CD1 4.24Å; L114-L186 HydrophobicContact CD2-CD2 4.1Å; L114-L186 HydrophobicContact CD2-CG 4.5Å; L114-L186 HydrophobicContact CG-CD2 4.42Å
115E97.9Very high98.1Very high141 Ų14155 Ų5566%0.65929%0.291SS*.Hα-helixtrans-71.8-45.6178.6-68.8-176.4175.200110.3D113 E117 C118 E119D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 3.15Å; D113-E115 PolarHBondContact OD1-N 3.26Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 3.47Å; E115-C118 WeakPolarHBondContact O-CB 3.2Å; E115-C118 PolarHBondContact O-N 3.48Å; E115-C118 VanDerWaalsContact O-N 3.08Å; E115-E119 PolarHBondContact O-N 3.27Å
116A98.3Very high98.1Very high42 Ų4259.5 Ų59.535%0.34732%0.319SS..Hα-helixtrans-59.7-36.6175.500000112.7D113 E119 A120D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 VanDerWaalsContact CG-CB 3.42Å; D113-A116 PolarHBondContact OD1-N 3.31Å; A116-E119 PolarHBondContact O-N 3.13Å; A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 3.47Å
117E98.6Very high98.1Very high34 Ų3465.2 Ų65.216%0.15935%0.345CS..Hα-helixtrans-64.5-42173.8170.560-167.500112.1L107 D108 I111 D113 E115 A120 F121 L186L107-E117 WeakPolarHBondContact CA-OE1 3.39Å; L107-E117 HydrophobicContact CD2-CG 4.17Å; D108-E117 HydrophobicContact CB-CG 4.48Å; D108-E117 PolarHBondContact N-OE1 3.4Å; I111-E117 HydrophobicContact CD1-CB 4.48Å; I111-E117 HydrophobicContact CG2-CB 3.69Å; I111-E117 HydrophobicContact CG2-CG 4.1Å; D113-E117 PolarHBondContact O-N 3.37Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 3.47Å; E117-A120 PolarHBondContact O-N 2.84Å; E117-F121 WeakPolarHBondContact O-CB 3.16Å; E117-F121 PolarHBondContact O-N 3.22Å; E117-L186 HydrophobicContact CG-CD1 3.83Å
118C98.7Very high98.1Very high4 Ų466.4 Ų66.43%0.02736%0.355CS..Hα-helixtrans-63.6-42.9176.8-70.10000111.8L114 E115 F121 E122 T157 R158L114-C118 PolarHBondContact O-N 2.88Å; L114-C118 PolarHBondContact O-SG 3.05Å; E115-C118 WeakPolarHBondContact O-CB 3.2Å; E115-C118 PolarHBondContact O-N 3.48Å; E115-C118 VanDerWaalsContact O-N 3.08Å; C118-F121 PolarHBondContact O-N 3.14Å; C118-E122 WeakPolarHBondContact O-CG 3.28Å; C118-E122 PolarHBondContact O-N 2.74Å; C118-E122 VanDerWaalsContact O-N 3.15Å; C118-T157 HydrophobicContact CB-CG2 3.81Å; C118-T157 WeakPolarHBondContact CB-O 3.31Å; C118-R158 VanDerWaalsContact SG-CA 3.59Å
119E98.6Very high98.1Very high143 Ų14366 Ų6667%0.66836%0.363SS*.Hα-helixtrans-63.9-42.6174.1-69.1-177.4175.200112.2E115 A116 F121 E122 K123E115-E119 PolarHBondContact O-N 3.27Å; A116-E119 PolarHBondContact O-N 3.13Å; E119-F121 VanDerWaalsContact C-N 3.3Å; E119-F121 PolarHBondContact O-N 2.95Å; E119-E122 PolarHBondContact O-N 2.81Å; E119-K123 WeakPolarHBondContact O-CB 3.21Å; E119-K123 PolarHBondContact O-N 2.84Å
120A98.7Very high98.1Very high51 Ų5166.9 Ų66.942%0.42137%0.372SS..Hα-helixtrans-62.2-39.1176.700000111.6A116 E117 K123 K124A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 3.47Å; E117-A120 PolarHBondContact O-N 2.84Å; A120-K123 PolarHBondContact O-N 3.1Å; A120-K124 WeakPolarHBondContact O-CB 3.36Å; A120-K124 PolarHBondContact O-N 3.18Å
121F98.8Very high98.2Very high6 Ų663.7 Ų63.73%0.02635%0.354CS..Hα-helixtrans-63.9-44.6176.7-160.3-98.6000111.9F69 N70 L107 E117 C118 E119 K123 K124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.36Å; F69-F121 HydrophobicContact CB-CZ 4.06Å; F69-F121 HydrophobicContact CD1-CE1 4.28Å; F69-F121 HydrophobicContact CD1-CE2 4.4Å; F69-F121 AromaticContact CD1-CZ 3.97Å; F69-F121 HydrophobicContact CD1-CZ 3.97Å; N70-F121 WeakPolarHBondContact O-CZ 3.38Å; L107-F121 HydrophobicContact CD2-CB 3.62Å; L107-F121 HydrophobicContact CD2-CD1 4.14Å; L107-F121 HydrophobicContact CD2-CD2 3.73Å; L107-F121 HydrophobicContact CD2-CE2 4.41Å; L107-F121 HydrophobicContact CD2-CG 3.57Å; L107-F121 HydrophobicContact CG-CD1 4.32Å; L107-F121 HydrophobicContact CG-CD2 3.88Å; L107-F121 HydrophobicContact CG-CE1 4.46Å; L107-F121 HydrophobicContact CG-CE2 4.06Å; L107-F121 HydrophobicContact CG-CG 4.02Å; L107-F121 HydrophobicContact CG-CZ 4.34Å; E117-F121 WeakPolarHBondContact O-CB 3.16Å; E117-F121 PolarHBondContact O-N 3.22Å; C118-F121 PolarHBondContact O-N 3.14Å; E119-F121 VanDerWaalsContact C-N 3.3Å; E119-F121 PolarHBondContact O-N 2.95Å; F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 2.99Å; F121-K124 WeakPolarHBondContact O-CB 3.43Å; F121-K124 PolarHBondContact O-N 2.91Å; F121-K124 VanDerWaalsContact O-N 3.16Å; F121-I125 HydrophobicContact CD1-CD1 3.84Å; F121-I125 HydrophobicContact CD1-CG1 4.46Å; F121-I125 HydrophobicContact CE1-CD1 3.85Å; F121-I125 HydrophobicContact CE1-CG1 4.45Å; F121-I125 WeakPolarHBondContact O-CG1 3.45Å; F121-I125 PolarHBondContact O-N 3.13Å; F121-T157 HydrophobicContact CB-CG2 4.49Å; F121-T157 HydrophobicContact CD1-CG2 4.42Å; F121-V188 HydrophobicContact CD1-CG1 4.27Å; F121-V188 HydrophobicContact CE1-CG1 3.83Å
122E98.9Very high98.4Very high19 Ų1961.1 Ų61.19%0.08934%0.341CS..Hα-helixtrans-62.1-41.2175.1-71.1-75-157.700112.4C118 E119 K124 I125 T126 R156 T157 T192C118-E122 WeakPolarHBondContact O-CG 3.28Å; C118-E122 PolarHBondContact O-N 2.74Å; C118-E122 VanDerWaalsContact O-N 3.15Å; E119-E122 PolarHBondContact O-N 2.81Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 2.57Å; E122-I125 PolarHBondContact O-N 3.17Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.09Å; E122-R156 VanDerWaalsContact CD-NH2 3.28Å; E122-R156 WeakPolarHBondContact OE1-CB 3.18Å; E122-R156 IonicContact OE1-CZ 2.85Å; E122-R156 IonicContact OE1-NE 3.84Å; E122-R156 PolarHBondContact OE1-NE 3.48Å; E122-R156 IonicContact OE1-NH2 3.49Å; E122-R156 PolarHBondContact OE1-NH2 3.32Å; E122-R156 IonicContact OE2-CZ 3.16Å; E122-R156 IonicContact OE2-NE 3.33Å; E122-R156 IonicContact OE2-NH2 2.65Å; E122-R156 PolarHBondContact OE2-NH2 2.96Å; E122-T157 VanDerWaalsContact CD-OG1 3.23Å; E122-T157 WeakPolarHBondContact CG-OG1 3.22Å; E122-T157 PolarHBondContact OE1-N 3.15Å; E122-T157 PolarHBondContact OE1-OG1 3.08Å; E122-T192 WeakPolarHBondContact OE1-CG2 3.36Å; E122-T192 PolarHBondContact OE1-OG1 2.89Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.43Å
123K98.8Very high98.5Very high132 Ų13254.1 Ų54.157%0.57430%0.299SS*.Hα-helixtrans-62.9-40.4173.9-173.1176.7179.8179.80111.3E119 A120 F121 T126 Q127E119-K123 WeakPolarHBondContact O-CB 3.21Å; E119-K123 PolarHBondContact O-N 2.84Å; A120-K123 PolarHBondContact O-N 3.1Å; F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 2.99Å; K123-T126 PolarHBondContact O-N 3.06Å; K123-Q127 HydrophobicContact CG-CG 4.36Å; K123-Q127 WeakPolarHBondContact O-CB 3.14Å; K123-Q127 VanDerWaalsContact O-CG 3.22Å; K123-Q127 WeakPolarHBondContact O-CG 3.3Å; K123-Q127 PolarHBondContact O-N 3.05Å
124K98.7Very high98.6Very high84 Ų8449.8 Ų49.837%0.36528%0.276SS..Hα-helixtrans-63.3-41.7177.3-163.1-178.6-173.6-176.40111.8F69 S105 A120 F121 E122 Q127 A128F69-K124 HydrophobicContact CE1-CB 4.21Å; F69-K124 HydrophobicContact CE1-CD 4.1Å; F69-K124 HydrophobicContact CE1-CG 3.91Å; F69-K124 HydrophobicContact CZ-CG 4.44Å; S105-K124 WeakPolarHBondContact OG-CE 3.46Å; S105-K124 PolarHBondContact OG-NZ 3.09Å; A120-K124 WeakPolarHBondContact O-CB 3.36Å; A120-K124 PolarHBondContact O-N 3.18Å; F121-K124 WeakPolarHBondContact O-CB 3.43Å; F121-K124 PolarHBondContact O-N 2.91Å; F121-K124 VanDerWaalsContact O-N 3.16Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 2.57Å; K124-Q127 PolarHBondContact O-N 2.83Å; K124-A128 WeakPolarHBondContact O-CB 3.28Å; K124-A128 PolarHBondContact O-N 3.37Å
125I98.8Very high98.6Very high10 Ų1048.6 Ų48.65%0.05127%0.269CS..Hα-helixtrans-60.9-48.4173.3-67.5168.8000110.2F69 F121 E122 Q127 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.39Å; F69-I125 HydrophobicContact CD1-CG1 3.52Å; F69-I125 HydrophobicContact CE1-CB 4.48Å; F69-I125 HydrophobicContact CE1-CG1 3.7Å; F69-I125 HydrophobicContact CG-CG1 4.03Å; F69-I125 HydrophobicContact CZ-CG1 4.35Å; F121-I125 HydrophobicContact CD1-CD1 3.84Å; F121-I125 HydrophobicContact CD1-CG1 4.46Å; F121-I125 HydrophobicContact CE1-CD1 3.85Å; F121-I125 HydrophobicContact CE1-CG1 4.45Å; F121-I125 WeakPolarHBondContact O-CG1 3.45Å; F121-I125 PolarHBondContact O-N 3.13Å; E122-I125 PolarHBondContact O-N 3.17Å; I125-Q127 PolarHBondContact O-N 2.96Å; I125-A128 PolarHBondContact O-N 2.65Å; I125-A128 VanDerWaalsContact O-N 3.11Å; I125-G129 PolarHBondContact O-N 3.28Å; I125-G130 PolarHBondContact O-N 3.38Å; I125-I131 HydrophobicContact CG1-CD1 4.34Å; I125-I131 HydrophobicContact CG2-CD1 4Å; I125-I131 HydrophobicContact CG2-CG1 3.88Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å
126T98.6Very high98.7Very high98 Ų9841.9 Ų41.960%0.60124%0.238SC*.Hα-helixtrans-60.9-44.6179.9-56.80000111.7E122 K123 A128 G129E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.09Å; K123-T126 PolarHBondContact O-N 3.06Å; T126-A128 PolarHBondContact O-N 3.22Å; T126-G129 PolarHBondContact O-N 2.83Å
127Q98.4Very high98.6Very high142 Ų14240.7 Ų40.766%0.66423%0.23SC*.Hα-helixtrans-65.2-25.9176.8-74.1174.2-18.500113.2K123 K124 I125K123-Q127 HydrophobicContact CG-CG 4.36Å; K123-Q127 WeakPolarHBondContact O-CB 3.14Å; K123-Q127 VanDerWaalsContact O-CG 3.22Å; K123-Q127 WeakPolarHBondContact O-CG 3.3Å; K123-Q127 PolarHBondContact O-N 3.05Å; K124-Q127 PolarHBondContact O-N 2.83Å; I125-Q127 PolarHBondContact O-N 2.96Å
128A98.4Very high98.6Very high25 Ų2539.3 Ų39.321%0.20722%0.224CC..THydrogen-bonded Turntrans-79.9-4.417300000113.4T36 K67 F69 K124 I125 T126T36-A128 HydrophobicContact CG2-CB 3.89Å; K67-A128 HydrophobicContact CD-CB 4.27Å; F69-A128 HydrophobicContact CE2-CB 4.07Å; F69-A128 HydrophobicContact CZ-CB 3.76Å; K124-A128 WeakPolarHBondContact O-CB 3.28Å; K124-A128 PolarHBondContact O-N 3.37Å; I125-A128 PolarHBondContact O-N 2.65Å; I125-A128 VanDerWaalsContact O-N 3.11Å; T126-A128 PolarHBondContact O-N 3.22Å
129G98.3Very high98.4Very high44 Ų4439.2 Ų39.245%0.45422%0.224SC..THydrogen-bonded Turntrans90.619.1-179.500000114.5I125 T126 R197I125-G129 PolarHBondContact O-N 3.28Å; T126-G129 PolarHBondContact O-N 2.83Å; G129-R197 PolarHBondContact O-NH2 2.86Å
130G98.6Very high98.1Very high20 Ų2035.7 Ų35.721%0.20621%0.213CC..SBendtrans90.7-162.5-17400000112.5T36 I125T36-G130 WeakPolarHBondContact CB-O 3.22Å; T36-G130 WeakPolarHBondContact CG2-O 3.36Å; T36-G130 PolarHBondContact OG1-O 3.01Å; I125-G130 PolarHBondContact O-N 3.38Å
131I98.9Very high97.9Very high3 Ų333.9 Ų33.92%0.01520%0.196CC..  trans-115.2124.2176.9-57.3-61.7000109.4T36 F69 I125 L133 F134 A196 R197T36-I131 VanDerWaalsContact OG1-CA 3.31Å; T36-I131 WeakPolarHBondContact OG1-CA 3.49Å; F69-I131 HydrophobicContact CB-CD1 4.1Å; F69-I131 HydrophobicContact CD2-CD1 3.38Å; F69-I131 HydrophobicContact CE2-CD1 3.96Å; F69-I131 HydrophobicContact CG-CD1 3.86Å; I125-I131 HydrophobicContact CG1-CD1 4.34Å; I125-I131 HydrophobicContact CG2-CD1 4Å; I125-I131 HydrophobicContact CG2-CG1 3.88Å; I131-L133 VanDerWaalsContact CG2-C 3.49Å; I131-L133 WeakPolarHBondContact CG2-O 3.44Å; I131-F134 HydrophobicContact CB-CD2 4.42Å; I131-F134 HydrophobicContact CG1-CD2 4.24Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.31Å; I131-A196 HydrophobicContact CB-CB 3.97Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 CarbonylContact O-C 3.59Å; I131-A196 WeakPolarHBondContact O-CA 3.47Å; I131-R197 PolarHBondContact O-N 3.4Å
132D98.9Very high97.8Very high15 Ų1533.6 Ų33.68%0.0820%0.195CC..SBendtrans-77.1-39.8179.4-65.5-61.1000112F35 T36 R197 E198F35-D132 HydrophobicContact CD2-CB 4.04Å; F35-D132 HydrophobicContact CE2-CB 3.83Å; F35-D132 HydrophobicContact CZ-CB 4.25Å; T36-D132 PolarHBondContact N-OD2 2.76Å; T36-D132 WeakPolarHBondContact O-CB 3.38Å; T36-D132 PolarHBondContact O-N 3.26Å; T36-D132 VanDerWaalsContact OG1-CG 3.3Å; T36-D132 PolarHBondContact OG1-N 3.03Å; T36-D132 PolarHBondContact OG1-OD2 3.4Å; D132-R197 WeakPolarHBondContact OD1-CD 3.18Å; D132-R197 IonicContact OD1-NE 3.1Å; D132-R197 PolarHBondContact OD1-NE 2.95Å; D132-R197 VanDerWaalsContact OD1-NE 3.1Å; D132-E198 WeakPolarHBondContact O-CB 3.39Å; D132-E198 PolarHBondContact O-N 3.32Å
133L98.9Very high97.7Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-141.5121.8174.617562000109.5I20 F35 T36 L37 G38 I131 V135 E198 M200I20-L133 HydrophobicContact CG1-CD2 3.9Å; F35-L133 HydrophobicContact CE1-CB 4.28Å; F35-L133 HydrophobicContact CZ-CB 3.77Å; F35-L133 HydrophobicContact CZ-CD2 4.41Å; T36-L133 PolarHBondContact O-N 3.01Å; L37-L133 CarbonylContact C-O 3.49Å; L37-L133 WeakPolarHBondContact CA-O 3.07Å; L37-L133 HydrophobicContact CD1-CB 4.15Å; L37-L133 HydrophobicContact CD1-CD2 4.07Å; L37-L133 HydrophobicContact CD1-CG 4.06Å; L37-L133 WeakPolarHBondContact CD1-O 3.31Å; G38-L133 PolarHBondContact N-O 2.93Å; I131-L133 VanDerWaalsContact CG2-C 3.49Å; I131-L133 WeakPolarHBondContact CG2-O 3.44Å; L133-V135 HydrophobicContact CD2-CG2 4.26Å; L133-V135 HydrophobicContact CG-CG2 4.12Å; L133-E198 CarbonylContact C-O 3.56Å; L133-E198 WeakPolarHBondContact CA-O 3.21Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.7Å; L133-M200 HydrophobicContact CD1-CB 4.05Å
134F98.9Very high97.7Very high1 Ų127.8 Ų27.80%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-103.6114.6172.7-151.5-55.2000109.7M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CG-CE1 3.33Å; M71-F134 HydrophobicContact CG-CZ 3.6Å; M71-F134 HydrophobicContact SD-CE1 3.9Å; I131-F134 HydrophobicContact CB-CD2 4.42Å; I131-F134 HydrophobicContact CG1-CD2 4.24Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.97Å; I131-F134 HydrophobicContact CG2-CG 4.31Å; F134-V188 HydrophobicContact CE2-CG2 4.5Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 3.95Å; F134-V193 HydrophobicContact CD1-CG2 4.48Å; F134-V193 HydrophobicContact CD2-CB 4.36Å; F134-V193 HydrophobicContact CD2-CG1 4.07Å; F134-V193 HydrophobicContact CD2-CG2 4.24Å; F134-V193 HydrophobicContact CE1-CG2 4.26Å; F134-V193 HydrophobicContact CE2-CG2 3.95Å; F134-V193 HydrophobicContact CG-CG1 3.76Å; F134-V193 HydrophobicContact CZ-CG2 3.99Å; F134-A196 HydrophobicContact CB-CB 3.68Å; F134-A196 HydrophobicContact CD2-CB 4.48Å; F134-E198 PolarHBondContact N-O 2.94Å; F134-V199 HydrophobicContact CB-CG2 4.43Å; F134-V199 CarbonylContact O-C 3.33Å; F134-V199 WeakPolarHBondContact O-CA 3.41Å; F134-M200 PolarHBondContact O-N 3.37Å
135V98.9Very high97.7Very high6 Ų624 Ų244%0.03615%0.154CC..EExtended strand (participates in β ladder)trans-93.3130.4174-171.50000109.2I20 L37 G38 P40 L133 M200I20-V135 HydrophobicContact CD1-CG2 3.96Å; I20-V135 HydrophobicContact CG1-CG2 4.27Å; L37-V135 HydrophobicContact CD1-CG2 3.86Å; G38-V135 WeakPolarHBondContact O-CB 3.24Å; G38-V135 PolarHBondContact O-N 3.48Å; P40-V135 WeakPolarHBondContact CD-O 3.09Å; P40-V135 HydrophobicContact CG-CG1 4.13Å; L133-V135 HydrophobicContact CD2-CG2 4.26Å; L133-V135 HydrophobicContact CG-CG2 4.12Å; V135-M200 CarbonylContact C-O 3.56Å; V135-M200 VanDerWaalsContact CA-O 3.31Å; V135-M200 WeakPolarHBondContact CA-O 3.2Å; V135-M200 HydrophobicContact CB-CE 4.49Å; V135-M200 HydrophobicContact CG1-CE 3.89Å; V135-M200 HydrophobicContact CG2-CE 3.8Å
136G98.5Very high97.6Very high1 Ų123.8 Ų23.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-135.8172179.600000112.2M200 I201 L202G136-M200 PolarHBondContact N-O 3.41Å; G136-I201 WeakPolarHBondContact O-CA 3.39Å; G136-L202 PolarHBondContact O-N 3.35Å
137G97.6Very high97.6Very high17 Ų1719.1 Ų19.118%0.17513%0.125CC..  trans-118.2-174.5163.900000110.5
138I97.8Very high97.5Very high4 Ų412.6 Ų12.62%0.0219%0.094CC..  trans-124132.2172.1-170.6170.1000109.8I201 I203 K208 A211 A215 V226I138-I201 HydrophobicContact CB-CG2 4.44Å; I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.37Å; I138-I203 HydrophobicContact CG2-CB 4.09Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.6Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.4Å; I138-K208 WeakPolarHBondContact O-CD 3.47Å; I138-K208 WeakPolarHBondContact O-CE 3.26Å; I138-K208 PolarHBondContact O-NZ 3.22Å; I138-A211 HydrophobicContact CD1-CB 3.67Å; I138-A211 HydrophobicContact CG1-CB 4Å; I138-A215 HydrophobicContact CD1-CB 4.06Å; I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.06Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.07Å; I138-V226 HydrophobicContact CG1-CB 4.34Å; I138-V226 HydrophobicContact CG1-CG2 3.79Å
139G94.1Very high97.5Very high3 Ų313.6 Ų13.63%0.03110%0.098CC..  trans-69.3159.9168.900000112.3D141 G142 H143 A211G139-D141 WeakPolarHBondContact CA-OD1 3.45Å; G139-D141 PolarHBondContact O-N 3.05Å; G139-D141 VanDerWaalsContact O-N 3.15Å; G139-G142 PolarHBondContact O-N 3.04Å; G139-H143 WeakPolarHBondContact CA-NE2 3.36Å; G139-H143 PolarHBondContact N-O 3.25Å; G139-H143 VanDerWaalsContact N-O 3.1Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.21Å
140P92.8Very high97.4Very high68 Ų6813.1 Ų13.144%0.4429%0.094SC..THydrogen-bonded Turntrans-58.1-22.3172.4-22.634.2000114.1K208P140-K208 HydrophobicContact CG-CD 4.35Å
141D93.9Very high97.4Very high13 Ų1312.5 Ų12.57%0.079%0.086CC..THydrogen-bonded Turntrans-93.15174.764.6-13.2000113.5G139 H143 P149 W224G139-D141 WeakPolarHBondContact CA-OD1 3.45Å; G139-D141 PolarHBondContact O-N 3.05Å; G139-D141 VanDerWaalsContact O-N 3.15Å; D141-H143 IonicContact OD1-CE1 3.17Å; D141-H143 PolarHBondContact OD1-CE1 3.33Å; D141-H143 IonicContact OD1-CG 2.76Å; D141-H143 VanDerWaalsContact OD1-CG 3.24Å; D141-H143 PolarHBondContact OD1-N 3.44Å; D141-H143 VanDerWaalsContact OD1-N 3.12Å; D141-H143 IonicContact OD1-ND1 3.4Å; D141-H143 PolarHBondContact OD1-ND1 2.84Å; D141-H143 IonicContact OD2-CE1 3.01Å; D141-H143 IonicContact OD2-CG 3.72Å; D141-H143 IonicContact OD2-ND1 3.71Å; D141-H143 PolarHBondContact OD2-ND1 2.86Å; D141-P149 HydrophobicContact CB-CG 3.99Å; D141-P149 VanDerWaalsContact OD2-CD 3.28Å; D141-P149 WeakPolarHBondContact OD2-CD 3.43Å; D141-W224 VanDerWaalsContact C-CE3 3.43Å; D141-W224 VanDerWaalsContact C-CZ3 3.4Å; D141-W224 WeakPolarHBondContact O-CZ3 3.24Å
142G96.9Very high97.4Very high0 Ų015.3 Ų15.30%011%0.106CC..  trans79.713.3179.900000116.2G139 W224 T225 V226G139-G142 PolarHBondContact O-N 3.04Å; G142-W224 CarbonylContact O-C 3.3Å; G142-T225 PolarHBondContact O-N 2.6Å; G142-T225 VanDerWaalsContact O-N 3.1Å; G142-V226 WeakPolarHBondContact O-CG2 3.38Å; G142-V226 PolarHBondContact O-N 3.01Å
143H97.8Very high97.4Very high29 Ų2916.5 Ų16.513%0.13411%0.112CC..  trans-69.4146.7177.965.1-126.6000113.2G139 D141 A145 N147 E148 T225G139-H143 WeakPolarHBondContact CA-NE2 3.36Å; G139-H143 PolarHBondContact N-O 3.25Å; G139-H143 VanDerWaalsContact N-O 3.1Å; D141-H143 IonicContact OD1-CE1 3.17Å; D141-H143 PolarHBondContact OD1-CE1 3.33Å; D141-H143 IonicContact OD1-CG 2.76Å; D141-H143 VanDerWaalsContact OD1-CG 3.24Å; D141-H143 PolarHBondContact OD1-N 3.44Å; D141-H143 VanDerWaalsContact OD1-N 3.12Å; D141-H143 IonicContact OD1-ND1 3.4Å; D141-H143 PolarHBondContact OD1-ND1 2.84Å; D141-H143 IonicContact OD2-CE1 3.01Å; D141-H143 IonicContact OD2-CG 3.72Å; D141-H143 IonicContact OD2-ND1 3.71Å; D141-H143 PolarHBondContact OD2-ND1 2.86Å; H143-A145 PolarHBondContact CD2-O 3.31Å; H143-N147 WeakPolarHBondContact CB-O 3.21Å; H143-E148 IonicContact ND1-OE2 3.24Å; H143-E148 PolarHBondContact ND1-OE2 2.85Å; H143-T225 WeakPolarHBondContact CA-OG1 3.42Å
144I98.4Very high97.4Very high0 Ų022.1 Ų22.10%015%0.147CC..SBendtrans-101.8131.5158.1177.863.7000109.2M71 N147 V190 V193 I201 T225 V226 F229M71-I144 HydrophobicContact SD-CD1 4Å; I144-N147 HydrophobicContact CG2-CB 4.38Å; I144-N147 WeakPolarHBondContact O-CB 3.49Å; I144-N147 PolarHBondContact O-N 3.42Å; I144-N147 PolarHBondContact O-ND2 3.42Å; I144-V190 HydrophobicContact CG2-CG2 4.1Å; I144-V193 HydrophobicContact CG1-CG1 4.44Å; I144-V193 HydrophobicContact CG1-CG2 4.19Å; I144-I201 HydrophobicContact CD1-CD1 3.94Å; I144-T225 PolarHBondContact N-OG1 2.87Å; I144-T225 VanDerWaalsContact N-OG1 3.08Å; I144-V226 HydrophobicContact CB-CG2 3.91Å; I144-F229 HydrophobicContact CB-CE2 4.11Å; I144-F229 HydrophobicContact CB-CZ 4.39Å; I144-F229 HydrophobicContact CD1-CE2 4.33Å; I144-F229 HydrophobicContact CD1-CZ 4.49Å; I144-F229 HydrophobicContact CG1-CE2 4.01Å; I144-F229 HydrophobicContact CG1-CZ 3.95Å; I144-F229 HydrophobicContact CG2-CE2 4.28Å; I144-F229 HydrophobicContact CG2-CZ 4.32Å
145A97.8Very high97.4Very high5 Ų522.6 Ų22.64%0.04115%0.15CC..THydrogen-bonded Turntrans51.8-142.8-168.400000110.3M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.76Å; M71-A145 HydrophobicContact CE-CB 4.35Å; M71-A145 HydrophobicContact CG-CB 4.25Å; M71-A145 HydrophobicContact SD-CB 4.15Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.44Å; D72-A145 WeakPolarHBondContact OD2-CB 3.39Å; H143-A145 PolarHBondContact CD2-O 3.31Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.32Å; A145-T187 WeakPolarHBondContact CB-OG1 3.4Å; A145-V188 HydrophobicContact CB-CG2 3.96Å
146F97.7Very high97.4Very high6 Ų627 Ų273%0.02617%0.166CC..THydrogen-bonded Turntrans-94.234167.6-67.5-61.2000112.9D72 Y74 Y85 E148 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.49Å; D72-F146 VanDerWaalsContact CB-CD2 3.49Å; D72-F146 HydrophobicContact CB-CE2 3.81Å; Y74-F146 HydrophobicContact CE1-CE2 4.34Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y85-F146 AromaticContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CZ 4.07Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.48Å; F146-E148 PolarHBondContact O-N 2.93Å; F146-L162 HydrophobicContact CB-CD2 4.22Å; F146-L162 HydrophobicContact CD1-CD2 3.52Å; F146-L162 HydrophobicContact CD2-CD2 4.23Å; F146-L162 HydrophobicContact CE1-CD2 3.81Å; F146-L162 HydrophobicContact CE2-CD2 4.45Å; F146-L162 HydrophobicContact CG-CD2 3.75Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; F146-T166 HydrophobicContact CD1-CG2 3.99Å; F146-T166 HydrophobicContact CE1-CG2 3.59Å; F146-A185 HydrophobicContact CB-CB 4.45Å; F146-A185 HydrophobicContact CD2-CB 3.27Å; F146-A185 HydrophobicContact CE2-CB 3.58Å; F146-A185 HydrophobicContact CG-CB 4.02Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 3.43Å
147N98.3Very high97.4Very high0 Ų027.5 Ų27.50%017%0.169CC..  trans-78.371.8168.4-62.7-81000109.9H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.21Å; I144-N147 HydrophobicContact CG2-CB 4.38Å; I144-N147 WeakPolarHBondContact O-CB 3.49Å; I144-N147 PolarHBondContact O-N 3.42Å; I144-N147 PolarHBondContact O-ND2 3.42Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.32Å; N147-S155 PolarHBondContact OD1-OG 3.18Å; N147-R158 PolarHBondContact OD1-NH1 3.39Å; N147-R158 PolarHBondContact OD1-NH2 2.93Å; N147-V188 PolarHBondContact ND2-O 2.87Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 2.85Å; N147-T225 HydrophobicContact CB-CG2 4.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.48Å; N147-T225 PolarHBondContact O-OG1 2.68Å
148E96.4Very high97.5Very high4 Ų429.5 Ų29.52%0.01917%0.171CC..  trans-52.9157.6178.9-57.4-69.9-158.600112.3H143 F146 G150 S151 L162 A163 T166H143-E148 IonicContact ND1-OE2 3.24Å; H143-E148 PolarHBondContact ND1-OE2 2.85Å; F146-E148 PolarHBondContact O-N 2.93Å; E148-G150 PolarHBondContact O-N 3.34Å; E148-S151 PolarHBondContact N-OG 3.07Å; E148-S151 WeakPolarHBondContact O-CB 3.39Å; E148-S151 PolarHBondContact O-N 3.45Å; E148-S151 PolarHBondContact O-OG 3.47Å; E148-L162 WeakPolarHBondContact OE1-CA 3.43Å; E148-A163 HydrophobicContact CB-CB 4.42Å; E148-A163 HydrophobicContact CG-CB 4.23Å; E148-A163 PolarHBondContact OE1-N 2.78Å; E148-T166 VanDerWaalsContact OE1-CB 3.28Å; E148-T166 WeakPolarHBondContact OE1-CB 3.35Å; E148-T166 PolarHBondContact OE1-OG1 3.11Å; E148-T166 PolarHBondContact OE2-OG1 2.89Å; E148-T166 VanDerWaalsContact OE2-OG1 3.07Å
149P97.6Very high97.5Very high46 Ų4631.5 Ų31.530%0.29918%0.183SC..THydrogen-bonded Turntrans-47.7130.5177.2-29.434.9000113.2D141 M223D141-P149 HydrophobicContact CB-CG 3.99Å; D141-P149 VanDerWaalsContact OD2-CD 3.28Å; D141-P149 WeakPolarHBondContact OD2-CD 3.43Å; P149-M223 HydrophobicContact CB-CE 3.63Å; P149-M223 WeakPolarHBondContact CB-O 3.27Å; P149-M223 HydrophobicContact CB-SD 4.09Å
150G97.4Very high97.6Very high35 Ų3533.6 Ų33.636%0.36119%0.191SC..THydrogen-bonded Turntrans93.2-3.4-175.100000114.3E148 H222E148-G150 PolarHBondContact O-N 3.34Å; G150-H222 PolarHBondContact N-O 2.87Å; G150-H222 PolarHBondContact O-ND1 2.86Å
151S98.5Very high97.6Very high6 Ų634.7 Ų34.74%0.04220%0.197CC..  trans-66.4137.7176.3-69.10000112.4E148 L153 R158 K160 H222E148-S151 PolarHBondContact N-OG 3.07Å; E148-S151 WeakPolarHBondContact O-CB 3.39Å; E148-S151 PolarHBondContact O-N 3.45Å; E148-S151 PolarHBondContact O-OG 3.47Å; S151-L153 PolarHBondContact O-N 3.49Å; S151-R158 PolarHBondContact OG-NH2 3.09Å; S151-K160 WeakPolarHBondContact OG-CE 3.48Å; S151-H222 WeakPolarHBondContact O-CB 3.41Å
152S98.8Very high97.3Very high63 Ų6334.5 Ų34.544%0.44120%0.196SC..  trans-55.2130.8174.3173.90000111.5V154 S155S152-V154 PolarHBondContact O-N 2.86Å; S152-V154 WeakPolarHBondContact OG-CG2 3.33Å; S152-V154 PolarHBondContact OG-N 2.88Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 2.84Å; S152-S155 VanDerWaalsContact O-N 3.15Å; S152-S155 PolarHBondContact O-OG 2.78Å
153L98.8Very high96.8Very high39 Ų3936 Ų3620%0.20421%0.208CC..THydrogen-bonded Turntrans-71.9-10.6179.6-61.5-173.9000113.5S151 V190 V220 H222 T225 A228S151-L153 PolarHBondContact O-N 3.49Å; L153-V190 HydrophobicContact CD2-CG1 4.42Å; L153-V190 WeakPolarHBondContact O-CB 3.43Å; L153-V190 VanDerWaalsContact O-CG1 3.28Å; L153-V190 WeakPolarHBondContact O-CG1 3.4Å; L153-V220 HydrophobicContact CD1-CG1 3.42Å; L153-V220 VanDerWaalsContact CD1-CG1 3.42Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4.01Å; L153-T225 HydrophobicContact CD2-CG2 4.12Å; L153-A228 HydrophobicContact CD2-CB 4.13Å
154V98.6Very high96.3Very high119 Ų11942.5 Ų42.572%0.72124%0.236SC*.THydrogen-bonded Turntrans-113.519174.1-620000111.8S152S152-V154 PolarHBondContact O-N 2.86Å; S152-V154 WeakPolarHBondContact OG-CG2 3.33Å; S152-V154 PolarHBondContact OG-N 2.88Å
155S98.8Very high95.4Very high10 Ų1048 Ų487%0.0727%0.265CS..  trans-62.5153.9-179.850.90000112.8N147 S152 R158 G189 V190 G191 T192N147-S155 PolarHBondContact OD1-OG 3.18Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 2.84Å; S152-S155 VanDerWaalsContact O-N 3.15Å; S152-S155 PolarHBondContact O-OG 2.78Å; S155-R158 PolarHBondContact OG-NH1 3.44Å; S155-R158 VanDerWaalsContact OG-NH1 3.16Å; S155-G189 CarbonylContact O-C 3.53Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.5Å; S155-V190 PolarHBondContact OG-N 2.73Å; S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.47Å; S155-G191 PolarHBondContact O-N 3.13Å; S155-T192 PolarHBondContact O-N 3.11Å
156R98.8Very high94.7Very high99 Ų9948 Ų4837%0.37427%0.265SS..  trans-101.6176.8168.2-59.6-48.3-61.1-165.9-5.7111.2E122 R158 G189 D195E122-R156 VanDerWaalsContact CD-NH2 3.28Å; E122-R156 WeakPolarHBondContact OE1-CB 3.18Å; E122-R156 IonicContact OE1-CZ 2.85Å; E122-R156 IonicContact OE1-NE 3.84Å; E122-R156 PolarHBondContact OE1-NE 3.48Å; E122-R156 IonicContact OE1-NH2 3.49Å; E122-R156 PolarHBondContact OE1-NH2 3.32Å; E122-R156 IonicContact OE2-CZ 3.16Å; E122-R156 IonicContact OE2-NE 3.33Å; E122-R156 IonicContact OE2-NH2 2.65Å; E122-R156 PolarHBondContact OE2-NH2 2.96Å; R156-R158 PolarHBondContact O-N 3.2Å; R156-R158 PolarHBondContact O-NH1 2.57Å; R156-R158 VanDerWaalsContact O-NH1 3.09Å; R156-G189 VanDerWaalsContact C-CA 3.5Å; R156-G189 WeakPolarHBondContact O-CA 3.42Å; R156-G189 PolarHBondContact O-N 2.89Å; R156-D195 IonicContact CZ-OD2 2.86Å; R156-D195 IonicContact NH1-OD2 3.41Å; R156-D195 PolarHBondContact NH1-OD2 3.01Å; R156-D195 IonicContact NH2-OD2 3.76Å; R156-D195 PolarHBondContact NH2-OD2 2.95Å
157T98.8Very high94.2Very high12 Ų1249.4 Ų49.47%0.07427%0.272CS..SBendtrans-53.1129.7172.3-520000110.5L107 C118 F121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.89Å; C118-T157 HydrophobicContact CB-CG2 3.81Å; C118-T157 WeakPolarHBondContact CB-O 3.31Å; F121-T157 HydrophobicContact CB-CG2 4.49Å; F121-T157 HydrophobicContact CD1-CG2 4.42Å; E122-T157 VanDerWaalsContact CD-OG1 3.23Å; E122-T157 WeakPolarHBondContact CG-OG1 3.22Å; E122-T157 PolarHBondContact OE1-N 3.15Å; E122-T157 PolarHBondContact OE1-OG1 3.08Å; T157-T187 CarbonylContact C-O 3.49Å; T157-T187 WeakPolarHBondContact CA-O 3.4Å; T157-T187 WeakPolarHBondContact CG2-O 3.44Å; T157-T192 PolarHBondContact N-OG1 3.38Å
158R98.8Very high93.7Very high58 Ų5853.1 Ų53.122%0.21930%0.295CS..EExtended strand (participates in β ladder)trans-162.4170.2-175.268.5-164.3-178.1-65.3-3.5112.1C118 N147 S151 S155 R156 K160 T187C118-R158 VanDerWaalsContact SG-CA 3.59Å; N147-R158 PolarHBondContact OD1-NH1 3.39Å; N147-R158 PolarHBondContact OD1-NH2 2.93Å; S151-R158 PolarHBondContact OG-NH2 3.09Å; S155-R158 PolarHBondContact OG-NH1 3.44Å; S155-R158 VanDerWaalsContact OG-NH1 3.16Å; R156-R158 PolarHBondContact O-N 3.2Å; R156-R158 PolarHBondContact O-NH1 2.57Å; R156-R158 VanDerWaalsContact O-NH1 3.09Å; R158-K160 HydrophobicContact CG-CG 4.21Å; R158-T187 PolarHBondContact N-O 3.32Å; R158-T187 PolarHBondContact O-N 2.9Å
159V98.1Very high93Very high46 Ų4654.6 Ų54.628%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-70.9135.7165.4-171.80000110.1L114 M184 A185 L186L114-V159 HydrophobicContact CB-CG2 3.61Å; L114-V159 HydrophobicContact CD1-CG2 3.95Å; L114-V159 HydrophobicContact CG-CG2 4.42Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-SD 3.98Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; V159-L186 HydrophobicContact CB-CD2 4.36Å; V159-L186 HydrophobicContact CG2-CD2 3.62Å
160K96.1Very high92.4Very high47 Ų4753.4 Ų53.420%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-132.7132171.3-84.2-68.1-65.9166.90111.2S151 R158 M184 A185 T187S151-K160 WeakPolarHBondContact OG-CE 3.48Å; R158-K160 HydrophobicContact CG-CG 4.21Å; K160-M184 CarbonylContact O-C 3.55Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.5Å; K160-A185 PolarHBondContact N-O 3.47Å; K160-A185 PolarHBondContact O-N 2.91Å; K160-T187 HydrophobicContact CB-CG2 3.96Å; K160-T187 HydrophobicContact CG-CG2 3.79Å
161T93.7Very high92Very high92 Ų9252 Ų5256%0.56428%0.284SS*.EExtended strand (participates in β ladder)trans-72.5132165.7-48.60000109.2T183T161-T183 WeakPolarHBondContact CA-O 3.48Å; T161-T183 WeakPolarHBondContact CG2-O 3.43Å
162L88.3Confident91.6Very high9 Ų958.2 Ų58.25%0.04731%0.306CS..PPolyproline II helixtrans-71.4139.5-179.5-56.7-170.7000110.8Y74 F146 E148 T166 I167 P182 T183 A185Y74-L162 HydrophobicContact CD1-CD1 4.28Å; Y74-L162 HydrophobicContact CE1-CD1 3.84Å; F146-L162 HydrophobicContact CB-CD2 4.22Å; F146-L162 HydrophobicContact CD1-CD2 3.52Å; F146-L162 HydrophobicContact CD2-CD2 4.23Å; F146-L162 HydrophobicContact CE1-CD2 3.81Å; F146-L162 HydrophobicContact CE2-CD2 4.45Å; F146-L162 HydrophobicContact CG-CD2 3.75Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; E148-L162 WeakPolarHBondContact OE1-CA 3.43Å; L162-T166 HydrophobicContact CB-CG2 4.33Å; L162-T166 HydrophobicContact CD1-CG2 4.26Å; L162-T166 HydrophobicContact CD2-CG2 4.34Å; L162-I167 HydrophobicContact CB-CD1 4.42Å; L162-I167 HydrophobicContact CB-CG1 3.98Å; L162-P182 WeakPolarHBondContact CD1-O 3.18Å; L162-T183 PolarHBondContact N-O 3.46Å; L162-A185 HydrophobicContact CD2-CB 3.91Å
163A85.8Confident91.1Very high30 Ų3058.8 Ų58.825%0.24830%0.301CS..PPolyproline II helixtrans-69.3156.7172.400000110.6E148 D165 T166 I167E148-A163 HydrophobicContact CB-CB 4.42Å; E148-A163 HydrophobicContact CG-CB 4.23Å; E148-A163 PolarHBondContact OE1-N 2.78Å; A163-D165 PolarHBondContact O-N 3.25Å; A163-T166 WeakPolarHBondContact O-CB 3.45Å; A163-T166 PolarHBondContact O-N 2.87Å; A163-T166 VanDerWaalsContact O-N 3.14Å; A163-I167 WeakPolarHBondContact O-CG1 3.16Å; A163-I167 PolarHBondContact O-N 3.15Å
164K86.1Confident90.7Very high166 Ų16657.6 Ų57.672%0.72230%0.295SS*.Hα-helixtrans-57.3-40.1178-174.5180177.6-1760111.8T166 I167 V168K164-T166 VanDerWaalsContact C-N 3.33Å; K164-T166 PolarHBondContact O-N 2.86Å; K164-I167 PolarHBondContact O-N 3.48Å; K164-V168 HydrophobicContact CG-CG2 4.43Å; K164-V168 VanDerWaalsContact O-CG2 3.32Å; K164-V168 WeakPolarHBondContact O-CG2 3.25Å; K164-V168 PolarHBondContact O-N 3.32Å
165D81.4Confident90.2Very high115 Ų11555 Ų5562%0.61529%0.292SS*.Hα-helixtrans-63.3-40.4179.2-64.8-26.6000111.5A163 V168 A169A163-D165 PolarHBondContact O-N 3.25Å; D165-V168 PolarHBondContact O-N 2.68Å; D165-A169 WeakPolarHBondContact O-CB 3.39Å; D165-A169 PolarHBondContact O-N 2.87Å
166T82.8Confident89.8Confident6 Ų660.8 Ų60.84%0.03732%0.322CS..Hα-helixtrans-63-44.5173.3-57.10000111.8F146 E148 L162 A163 K164 V168 A169 N170F146-T166 HydrophobicContact CD1-CG2 3.99Å; F146-T166 HydrophobicContact CE1-CG2 3.59Å; E148-T166 VanDerWaalsContact OE1-CB 3.28Å; E148-T166 WeakPolarHBondContact OE1-CB 3.35Å; E148-T166 PolarHBondContact OE1-OG1 3.11Å; E148-T166 PolarHBondContact OE2-OG1 2.89Å; E148-T166 VanDerWaalsContact OE2-OG1 3.07Å; L162-T166 HydrophobicContact CB-CG2 4.33Å; L162-T166 HydrophobicContact CD1-CG2 4.26Å; L162-T166 HydrophobicContact CD2-CG2 4.34Å; A163-T166 WeakPolarHBondContact O-CB 3.45Å; A163-T166 PolarHBondContact O-N 2.87Å; A163-T166 VanDerWaalsContact O-N 3.14Å; K164-T166 VanDerWaalsContact C-N 3.33Å; K164-T166 PolarHBondContact O-N 2.86Å; T166-V168 VanDerWaalsContact C-N 3.35Å; T166-V168 PolarHBondContact O-N 3.36Å; T166-A169 PolarHBondContact O-N 2.79Å; T166-N170 WeakPolarHBondContact O-CB 3.34Å; T166-N170 PolarHBondContact O-N 2.89Å
167I87.2Confident89.4Confident35 Ų3558.7 Ų58.718%0.17932%0.318CS..Hα-helixtrans-59.8-46.3176.1-67.8170.5000110.6L162 A163 K164 N170 A171 L178 V181L162-I167 HydrophobicContact CB-CD1 4.42Å; L162-I167 HydrophobicContact CB-CG1 3.98Å; A163-I167 WeakPolarHBondContact O-CG1 3.16Å; A163-I167 PolarHBondContact O-N 3.15Å; K164-I167 PolarHBondContact O-N 3.48Å; I167-N170 PolarHBondContact O-N 3.23Å; I167-A171 PolarHBondContact O-N 2.83Å; I167-L178 HydrophobicContact CG2-CB 4.31Å; I167-L178 HydrophobicContact CG2-CD2 3.83Å; I167-V181 HydrophobicContact CG1-CG1 4.4Å; I167-V181 HydrophobicContact CG2-CB 4.06Å; I167-V181 HydrophobicContact CG2-CG1 4.34Å; I167-V181 HydrophobicContact CG2-CG2 4.2Å
168V87.1Confident89Confident79 Ų7962.5 Ų62.548%0.47934%0.338SS..Hα-helixtrans-63.9-44.7178.4171.80000111.5K164 D165 T166 N170 A171 L178K164-V168 HydrophobicContact CG-CG2 4.43Å; K164-V168 VanDerWaalsContact O-CG2 3.32Å; K164-V168 WeakPolarHBondContact O-CG2 3.25Å; K164-V168 PolarHBondContact O-N 3.32Å; D165-V168 PolarHBondContact O-N 2.68Å; T166-V168 VanDerWaalsContact C-N 3.35Å; T166-V168 PolarHBondContact O-N 3.36Å; V168-N170 VanDerWaalsContact C-N 3.29Å; V168-N170 PolarHBondContact O-N 2.81Å; V168-A171 PolarHBondContact O-N 2.86Å; V168-L178 HydrophobicContact CB-CD2 4.38Å; V168-L178 HydrophobicContact CG2-CD2 3.87Å
169A81.4Confident88.6Confident35 Ų3564.5 Ų64.529%0.28936%0.361SS..Hα-helixtrans-63.7-35.1179.400000112.6D165 T166 R172D165-A169 WeakPolarHBondContact O-CB 3.39Å; D165-A169 PolarHBondContact O-N 2.87Å; T166-A169 PolarHBondContact O-N 2.79Å; A169-R172 PolarHBondContact O-NE 2.95Å
170N86.1Confident88.2Confident20 Ų2068.4 Ų68.411%0.10737%0.374CS..Hα-helixtrans-90-15.1-176.9-68.8-3.4000113.5Y74 T166 I167 V168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 2.9Å; T166-N170 WeakPolarHBondContact O-CB 3.34Å; T166-N170 PolarHBondContact O-N 2.89Å; I167-N170 PolarHBondContact O-N 3.23Å; V168-N170 VanDerWaalsContact C-N 3.29Å; V168-N170 PolarHBondContact O-N 2.81Å; N170-R172 PolarHBondContact O-N 3.09Å; N170-F173 HydrophobicContact CB-CD2 4.32Å; N170-F173 WeakPolarHBondContact O-CB 3.33Å; N170-F173 WeakPolarHBondContact O-CD2 3.42Å; N170-F173 PolarHBondContact O-N 3.46Å; N170-F174 WeakPolarHBondContact O-CD2 3.33Å; N170-V181 HydrophobicContact CB-CG1 4.37Å
171A89.4Confident88Confident6 Ų666.5 Ų66.55%0.0537%0.366CS..G310 helixtrans-52.3-31178.400000113.7I167 V168 F173 F174 G175 N176 L178 V181I167-A171 PolarHBondContact O-N 2.83Å; V168-A171 PolarHBondContact O-N 2.86Å; A171-F173 PolarHBondContact O-N 2.91Å; A171-F173 VanDerWaalsContact O-N 3.14Å; A171-F174 CarbonylContact O-C 3.42Å; A171-F174 WeakPolarHBondContact O-CA 3.35Å; A171-F174 PolarHBondContact O-N 2.84Å; A171-G175 PolarHBondContact O-N 3.35Å; A171-N176 WeakPolarHBondContact O-CA 3.38Å; A171-N176 PolarHBondContact O-N 2.87Å; A171-L178 HydrophobicContact CB-CD2 3.75Å; A171-V181 HydrophobicContact CB-CG2 4.23Å
172R88.8Confident88Confident136 Ų13662.8 Ų62.851%0.51334%0.344SS..G310 helixtrans-55.7-28.1175.368.9-173.7177.2-164.3-4114.1A169 N170 N176A169-R172 PolarHBondContact O-NE 2.95Å; N170-R172 PolarHBondContact O-N 3.09Å; R172-N176 WeakPolarHBondContact CA-OD1 3.2Å
173F87.9Confident88.2Confident75 Ų7566.7 Ų66.733%0.32937%0.368SS..G310 helixtrans-82.7-21.7176.6-58.9-59.6000112.4E83 N170 A171E83-F173 HydrophobicContact CG-CB 4.17Å; E83-F173 WeakPolarHBondContact CG-O 3.43Å; E83-F173 WeakPolarHBondContact OE2-CB 3.27Å; N170-F173 HydrophobicContact CB-CD2 4.32Å; N170-F173 WeakPolarHBondContact O-CB 3.33Å; N170-F173 WeakPolarHBondContact O-CD2 3.42Å; N170-F173 PolarHBondContact O-N 3.46Å; A171-F173 PolarHBondContact O-N 2.91Å; A171-F173 VanDerWaalsContact O-N 3.14Å
174F90.6Very high88.6Confident15 Ų1568.4 Ų68.47%0.06637%0.372CS..G310 helixtrans-105.633.5-178.4-62-89.5000112.1Y74 L77 E83 N170 A171 N176 D177 K180 V181 P182Y74-F174 HydrophobicContact CE2-CE2 4.4Å; Y74-F174 HydrophobicContact CE2-CZ 4.07Å; L77-F174 HydrophobicContact CD1-CE1 4.14Å; L77-F174 HydrophobicContact CD2-CE1 4.18Å; L77-F174 HydrophobicContact CD2-CZ 4.2Å; E83-F174 HydrophobicContact CB-CE1 4.08Å; E83-F174 HydrophobicContact CB-CZ 3.94Å; N170-F174 WeakPolarHBondContact O-CD2 3.33Å; A171-F174 CarbonylContact O-C 3.42Å; A171-F174 WeakPolarHBondContact O-CA 3.35Å; A171-F174 PolarHBondContact O-N 2.84Å; F174-N176 VanDerWaalsContact C-N 3.34Å; F174-N176 PolarHBondContact O-N 3.33Å; F174-D177 PolarHBondContact O-N 3Å; F174-K180 HydrophobicContact CB-CB 3.91Å; F174-K180 HydrophobicContact CD1-CB 4.41Å; F174-K180 VanDerWaalsContact CD1-O 3.3Å; F174-K180 WeakPolarHBondContact CD1-O 3.36Å; F174-V181 HydrophobicContact CB-CG2 4.22Å; F174-V181 HydrophobicContact CD2-CB 4.35Å; F174-V181 HydrophobicContact CD2-CG1 4.38Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.31Å; F174-V181 HydrophobicContact CG-CG2 4.17Å; F174-P182 HydrophobicContact CE1-CG 4.44Å; F174-P182 HydrophobicContact CZ-CG 4.27Å
175G89.7Confident89.1Confident65 Ų6560.5 Ų60.567%0.6734%0.337SS*.THydrogen-bonded Turntrans70.527.3178.600000114.2A171 D177A171-G175 PolarHBondContact O-N 3.35Å; G175-D177 PolarHBondContact O-N 3.08Å
176N88.8Confident90Very high131 Ų13155 Ų5570%0.70131%0.308SS*.THydrogen-bonded Turntrans60.724.1-173.8-59.1-58.4000114.1A171 R172 F174A171-N176 WeakPolarHBondContact O-CA 3.38Å; A171-N176 PolarHBondContact O-N 2.87Å; R172-N176 WeakPolarHBondContact CA-OD1 3.2Å; F174-N176 VanDerWaalsContact C-N 3.34Å; F174-N176 PolarHBondContact O-N 3.33Å
177D91.4Very high90.7Very high55 Ų5554.8 Ų54.829%0.29431%0.306SS..  trans-107.6108.7178.1-174.6-12.6000110.6F174 G175 S179 K180F174-D177 PolarHBondContact O-N 3Å; G175-D177 PolarHBondContact O-N 3.08Å; D177-S179 VanDerWaalsContact CG-OG 3.31Å; D177-S179 PolarHBondContact O-N 3.46Å; D177-S179 WeakPolarHBondContact OD1-CB 3.2Å; D177-S179 PolarHBondContact OD1-N 3.45Å; D177-S179 PolarHBondContact OD1-OG 3.45Å; D177-S179 PolarHBondContact OD2-OG 3.43Å; D177-K180 HydrophobicContact CB-CB 4.42Å; D177-K180 HydrophobicContact CB-CD 4Å; D177-K180 HydrophobicContact CB-CG 4.16Å; D177-K180 PolarHBondContact O-N 3.1Å; D177-K180 WeakPolarHBondContact OD2-CE 3.23Å; D177-K180 IonicContact OD2-NZ 2.78Å
178L89.8Confident91.3Very high91 Ų9153.1 Ų53.148%0.47630%0.298SS..G310 helixtrans-60.1-29.2-179.2-62.8169000112.5I167 V168 A171 K180 V181I167-L178 HydrophobicContact CG2-CB 4.31Å; I167-L178 HydrophobicContact CG2-CD2 3.83Å; V168-L178 HydrophobicContact CB-CD2 4.38Å; V168-L178 HydrophobicContact CG2-CD2 3.87Å; A171-L178 HydrophobicContact CB-CD2 3.75Å; L178-K180 PolarHBondContact O-N 3.1Å; L178-V181 PolarHBondContact O-N 3.01Å
179S90.4Very high91.8Very high101 Ų10149.3 Ų49.371%0.70628%0.275SS*.G310 helixtrans-73.1-17.9-177.772.60000113.4D177D177-S179 VanDerWaalsContact CG-OG 3.31Å; D177-S179 PolarHBondContact O-N 3.46Å; D177-S179 WeakPolarHBondContact OD1-CB 3.2Å; D177-S179 PolarHBondContact OD1-N 3.45Å; D177-S179 PolarHBondContact OD1-OG 3.45Å; D177-S179 PolarHBondContact OD2-OG 3.43Å
180K90.5Very high92.7Very high128 Ų12847.7 Ų47.756%0.55726%0.261SS*.G310 helixtrans-91.8-10.2179.1-68.1-178.2-174.2165.90113.3F174 D177 L178F174-K180 HydrophobicContact CB-CB 3.91Å; F174-K180 HydrophobicContact CD1-CB 4.41Å; F174-K180 VanDerWaalsContact CD1-O 3.3Å; F174-K180 WeakPolarHBondContact CD1-O 3.36Å; D177-K180 HydrophobicContact CB-CB 4.42Å; D177-K180 HydrophobicContact CB-CD 4Å; D177-K180 HydrophobicContact CB-CG 4.16Å; D177-K180 PolarHBondContact O-N 3.1Å; D177-K180 WeakPolarHBondContact OD2-CE 3.23Å; D177-K180 IonicContact OD2-NZ 2.78Å; L178-K180 PolarHBondContact O-N 3.1Å
181V91.4Very high93.3Very high6 Ų647.1 Ų47.14%0.03626%0.26CS..SBendtrans-74.7128.1176.6-172.40000108.4I167 N170 A171 F174 L178 T183I167-V181 HydrophobicContact CG1-CG1 4.4Å; I167-V181 HydrophobicContact CG2-CB 4.06Å; I167-V181 HydrophobicContact CG2-CG1 4.34Å; I167-V181 HydrophobicContact CG2-CG2 4.2Å; N170-V181 HydrophobicContact CB-CG1 4.37Å; A171-V181 HydrophobicContact CB-CG2 4.23Å; F174-V181 HydrophobicContact CB-CG2 4.22Å; F174-V181 HydrophobicContact CD2-CB 4.35Å; F174-V181 HydrophobicContact CD2-CG1 4.38Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.31Å; F174-V181 HydrophobicContact CG-CG2 4.17Å; L178-V181 PolarHBondContact O-N 3.01Å; V181-T183 PolarHBondContact O-N 3.12Å
182P93Very high93.7Very high15 Ų1547 Ų4710%0.09726%0.259CS..  trans-54.2137.3174.4-2836.9000111.5Y74 L77 L162 F174Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.81Å; Y74-P182 HydrophobicContact CD2-CG 4.36Å; Y74-P182 HydrophobicContact CE1-CG 4.46Å; Y74-P182 HydrophobicContact CG-CB 4.01Å; Y74-P182 HydrophobicContact CG-CG 3.73Å; L77-P182 HydrophobicContact CB-CG 4.16Å; L77-P182 HydrophobicContact CD1-CG 4.29Å; L77-P182 HydrophobicContact CD2-CG 4.35Å; L162-P182 WeakPolarHBondContact CD1-O 3.18Å; F174-P182 HydrophobicContact CE1-CG 4.44Å; F174-P182 HydrophobicContact CZ-CG 4.27Å
183T92.7Very high94.2Very high91 Ų9140.5 Ų40.556%0.55823%0.234SC*.SBendtrans-82.7-16.8-176.354.90000113T161 L162 V181T161-T183 WeakPolarHBondContact CA-O 3.48Å; T161-T183 WeakPolarHBondContact CG2-O 3.43Å; L162-T183 PolarHBondContact N-O 3.46Å; V181-T183 PolarHBondContact O-N 3.12Å
184M94.7Very high94.7Very high66 Ų6639 Ų3933%0.32523%0.229SC..EExtended strand (participates in β ladder)trans-135.8156.2-179-59-174.6-68.500111.1V75 V159 K160V75-M184 HydrophobicContact CB-CB 4.02Å; V75-M184 HydrophobicContact CG1-CE 4.16Å; V75-M184 HydrophobicContact CG2-CB 4.14Å; V75-M184 PolarHBondContact N-O 3.1Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-SD 3.98Å; K160-M184 CarbonylContact O-C 3.55Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.5Å
185A97.2Very high95.1Very high0 Ų043.4 Ų43.40%025%0.253CS..EExtended strand (participates in β ladder)trans-137.2152.4171.500000110.3E73 F146 V159 K160 L162E73-A185 CarbonylContact O-C 3.58Å; E73-A185 VanDerWaalsContact O-CA 3.27Å; E73-A185 WeakPolarHBondContact O-CA 3.39Å; E73-A185 WeakPolarHBondContact O-CB 3.43Å; F146-A185 HydrophobicContact CB-CB 4.45Å; F146-A185 HydrophobicContact CD2-CB 3.27Å; F146-A185 HydrophobicContact CE2-CB 3.58Å; F146-A185 HydrophobicContact CG-CB 4.02Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; K160-A185 PolarHBondContact N-O 3.47Å; K160-A185 PolarHBondContact O-N 2.91Å; L162-A185 HydrophobicContact CD2-CB 3.91Å
186L98.6Very high95.6Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-83.2136.2159.4-56.4-174.5000107.3D72 E73 V75 L107 D108 L114 E117 V159D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.35Å; D72-L186 WeakPolarHBondContact CB-O 3.31Å; E73-L186 PolarHBondContact N-O 2.93Å; E73-L186 PolarHBondContact O-N 3.3Å; V75-L186 HydrophobicContact CG2-CD2 3.89Å; V75-L186 HydrophobicContact CG2-CG 3.92Å; L107-L186 HydrophobicContact CB-CB 3.91Å; L107-L186 HydrophobicContact CB-CD1 4.07Å; L107-L186 HydrophobicContact CD1-CB 3.76Å; L107-L186 HydrophobicContact CD2-CB 4.29Å; L107-L186 HydrophobicContact CD2-CD1 4.35Å; L107-L186 HydrophobicContact CG-CB 4.19Å; D108-L186 WeakPolarHBondContact O-CD1 3.45Å; L114-L186 HydrophobicContact CB-CD2 3.99Å; L114-L186 HydrophobicContact CD2-CD1 4.24Å; L114-L186 HydrophobicContact CD2-CD2 4.1Å; L114-L186 HydrophobicContact CD2-CG 4.5Å; L114-L186 HydrophobicContact CG-CD2 4.42Å; E117-L186 HydrophobicContact CG-CD1 3.83Å; V159-L186 HydrophobicContact CB-CD2 4.36Å; V159-L186 HydrophobicContact CG2-CD2 3.62Å
187T98.8Very high96.1Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-149.1142.5-177.4-170.90000111.4M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.58Å; M71-T187 WeakPolarHBondContact O-CA 3.48Å; A145-T187 WeakPolarHBondContact CB-OG1 3.4Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 3.43Å; T157-T187 CarbonylContact C-O 3.49Å; T157-T187 WeakPolarHBondContact CA-O 3.4Å; T157-T187 WeakPolarHBondContact CG2-O 3.44Å; R158-T187 PolarHBondContact N-O 3.32Å; R158-T187 PolarHBondContact O-N 2.9Å; K160-T187 HydrophobicContact CB-CG2 3.96Å; K160-T187 HydrophobicContact CG-CG2 3.79Å
188V98.9Very high96.4Very high0 Ų039 Ų390%020%0.203CC..  trans-58.9147.4167.5-61.50000110M71 F121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.18Å; M71-V188 HydrophobicContact CG-CG2 4.37Å; M71-V188 WeakPolarHBondContact O-CG2 3.34Å; M71-V188 PolarHBondContact O-N 3.33Å; F121-V188 HydrophobicContact CD1-CG1 4.27Å; F121-V188 HydrophobicContact CE1-CG1 3.83Å; F134-V188 HydrophobicContact CE2-CG2 4.5Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; A145-V188 HydrophobicContact CB-CG2 3.96Å; N147-V188 PolarHBondContact ND2-O 2.87Å; V188-T192 HydrophobicContact CB-CG2 3.97Å; V188-T192 HydrophobicContact CG1-CG2 4.18Å; V188-V193 HydrophobicContact CG2-CG2 3.68Å
189G98.8Very high96.9Very high0 Ų034.7 Ų34.70%018%0.181CC..  trans-78.6164.5177.100000112.9S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.53Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.5Å; R156-G189 VanDerWaalsContact C-CA 3.5Å; R156-G189 WeakPolarHBondContact O-CA 3.42Å; R156-G189 PolarHBondContact O-N 2.89Å; G189-G191 PolarHBondContact O-N 3.26Å; G189-T192 PolarHBondContact N-OG1 2.67Å; G189-T192 VanDerWaalsContact O-CB 3.32Å; G189-T192 WeakPolarHBondContact O-CB 3.4Å; G189-T192 PolarHBondContact O-N 3.29Å; G189-T192 VanDerWaalsContact O-N 3.13Å; G189-V193 PolarHBondContact O-N 3.4Å; G189-V193 VanDerWaalsContact O-N 3.14Å
190V98.9Very high97.3Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-59.1-41.6171.6-175.90000110I144 N147 L153 S155 T192 V193 M194 T225 A228I144-V190 HydrophobicContact CG2-CG2 4.1Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 2.85Å; L153-V190 HydrophobicContact CD2-CG1 4.42Å; L153-V190 WeakPolarHBondContact O-CB 3.43Å; L153-V190 VanDerWaalsContact O-CG1 3.28Å; L153-V190 WeakPolarHBondContact O-CG1 3.4Å; S155-V190 PolarHBondContact OG-N 2.73Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 2.98Å; V190-V193 PolarHBondContact O-N 3.45Å; V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.23Å; V190-M194 WeakPolarHBondContact O-CG 3.47Å; V190-M194 PolarHBondContact O-N 3.33Å; V190-T225 HydrophobicContact CG2-CG2 4.25Å; V190-A228 HydrophobicContact CG1-CB 3.55Å
191G98.8Very high97.7Very high8 Ų823.8 Ų23.88%0.08212%0.121CC..Hα-helixtrans-62.2-39.5174.700000112.6S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.47Å; S155-G191 PolarHBondContact O-N 3.13Å; G189-G191 PolarHBondContact O-N 3.26Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 2.95Å; G191-M194 PolarHBondContact O-N 3.4Å; G191-D195 VanDerWaalsContact O-CG 3.31Å; G191-D195 PolarHBondContact O-N 3.23Å
192T98.9Very high98Very high3 Ų323.7 Ų23.72%0.01812%0.12CC..Hα-helixtrans-59.2-41.3175.7-430000112E122 I125 S155 T157 V188 G189 V190E122-T192 WeakPolarHBondContact OE1-CG2 3.36Å; E122-T192 PolarHBondContact OE1-OG1 2.89Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.43Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å; S155-T192 PolarHBondContact O-N 3.11Å; T157-T192 PolarHBondContact N-OG1 3.38Å; V188-T192 HydrophobicContact CB-CG2 3.97Å; V188-T192 HydrophobicContact CG1-CG2 4.18Å; G189-T192 PolarHBondContact N-OG1 2.67Å; G189-T192 VanDerWaalsContact O-CB 3.32Å; G189-T192 WeakPolarHBondContact O-CB 3.4Å; G189-T192 PolarHBondContact O-N 3.29Å; G189-T192 VanDerWaalsContact O-N 3.13Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 2.98Å
193V98.9Very high98.3Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-74.5-37.8176.3-174.10000111.4F134 I144 V188 G189 V190 G191 D195 A196 V199 F229F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 3.95Å; F134-V193 HydrophobicContact CD1-CG2 4.48Å; F134-V193 HydrophobicContact CD2-CB 4.36Å; F134-V193 HydrophobicContact CD2-CG1 4.07Å; F134-V193 HydrophobicContact CD2-CG2 4.24Å; F134-V193 HydrophobicContact CE1-CG2 4.26Å; F134-V193 HydrophobicContact CE2-CG2 3.95Å; F134-V193 HydrophobicContact CG-CG1 3.76Å; F134-V193 HydrophobicContact CZ-CG2 3.99Å; I144-V193 HydrophobicContact CG1-CG1 4.44Å; I144-V193 HydrophobicContact CG1-CG2 4.19Å; V188-V193 HydrophobicContact CG2-CG2 3.68Å; G189-V193 PolarHBondContact O-N 3.4Å; G189-V193 VanDerWaalsContact O-N 3.14Å; V190-V193 PolarHBondContact O-N 3.45Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 2.95Å; V193-D195 PolarHBondContact O-N 3.5Å; V193-A196 VanDerWaalsContact O-CB 3.23Å; V193-A196 WeakPolarHBondContact O-CB 3.46Å; V193-A196 PolarHBondContact O-N 3.25Å; V193-A196 VanDerWaalsContact O-N 3.13Å; V193-V199 HydrophobicContact CG1-CG1 4.28Å; V193-V199 HydrophobicContact CG1-CG2 4.11Å; V193-F229 HydrophobicContact CB-CE1 4.2Å; V193-F229 HydrophobicContact CB-CZ 4.04Å; V193-F229 HydrophobicContact CG1-CE1 3.7Å; V193-F229 HydrophobicContact CG1-CZ 3.48Å; V193-F229 VanDerWaalsContact CG1-CZ 3.48Å
194M98.9Very high98.6Very high43 Ų4319.1 Ų19.121%0.2129%0.092CC..Hα-helixtrans-63.4-24.7176.4-73.9-74.3-65.800113.5V190 G191 A196 A228 F229 Q231 H232V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.23Å; V190-M194 WeakPolarHBondContact O-CG 3.47Å; V190-M194 PolarHBondContact O-N 3.33Å; G191-M194 PolarHBondContact O-N 3.4Å; M194-A196 PolarHBondContact O-N 2.93Å; M194-A228 HydrophobicContact SD-CB 4.27Å; M194-F229 HydrophobicContact CG-CD1 4.41Å; M194-F229 HydrophobicContact CG-CE1 4.12Å; M194-F229 HydrophobicContact SD-CD1 3.45Å; M194-F229 WeakPolarHBondContact SD-CD1 3.25Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.46Å; M194-Q231 HydrophobicContact CE-CB 4.33Å; M194-H232 HydrophobicContact CE-CB 3.96Å; M194-H232 PolarHBondContact O-CD2 2.82Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 HydrophobicContact SD-CB 3.78Å
195D98.9Very high98.7Very high109 Ų10916.6 Ų16.658%0.5838%0.082SC*.THydrogen-bonded Turntrans-75.1-10.3175.7-75.2-9.5000113.4R156 G191 V193R156-D195 IonicContact CZ-OD2 2.86Å; R156-D195 IonicContact NH1-OD2 3.41Å; R156-D195 PolarHBondContact NH1-OD2 3.01Å; R156-D195 IonicContact NH2-OD2 3.76Å; R156-D195 PolarHBondContact NH2-OD2 2.95Å; G191-D195 VanDerWaalsContact O-CG 3.31Å; G191-D195 PolarHBondContact O-N 3.23Å; V193-D195 PolarHBondContact O-N 3.5Å
196A98.9Very high98.8Very high4 Ų418.9 Ų18.93%0.03310%0.101CC..SBendtrans-63.6147.7176.100000111.2I131 F134 V193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.97Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 CarbonylContact O-C 3.59Å; I131-A196 WeakPolarHBondContact O-CA 3.47Å; F134-A196 HydrophobicContact CB-CB 3.68Å; F134-A196 HydrophobicContact CD2-CB 4.48Å; V193-A196 VanDerWaalsContact O-CB 3.23Å; V193-A196 WeakPolarHBondContact O-CB 3.46Å; V193-A196 PolarHBondContact O-N 3.25Å; V193-A196 VanDerWaalsContact O-N 3.13Å; M194-A196 PolarHBondContact O-N 2.93Å; A196-E198 PolarHBondContact O-N 2.94Å; A196-V199 HydrophobicContact CB-CG2 4.16Å; A196-H232 PolarHBondContact O-NE2 3.32Å
197R98.9Very high98.7Very high154 Ų15424.3 Ų24.358%0.58113%0.126SC*.SBendtrans-66.9-26.5176.1-57.4179.9-165.7-71.2-9.4112G129 I131 D132G129-R197 PolarHBondContact O-NH2 2.86Å; I131-R197 PolarHBondContact O-N 3.4Å; D132-R197 WeakPolarHBondContact OD1-CD 3.18Å; D132-R197 IonicContact OD1-NE 3.1Å; D132-R197 PolarHBondContact OD1-NE 2.95Å; D132-R197 VanDerWaalsContact OD1-NE 3.1Å
198E98.9Very high98.6Very high1 Ų125.4 Ų25.41%0.00513%0.131CC..  trans-151.2139.3179.8-176.4159.3-141.700110.1Y19 R23 D132 L133 F134 A196 R234Y19-E198 PolarHBondContact OH-OE1 3.49Å; Y19-E198 PolarHBondContact OH-OE2 3.23Å; R23-E198 IonicContact CZ-OE2 2.73Å; R23-E198 IonicContact NE-OE2 2.67Å; R23-E198 PolarHBondContact NE-OE2 3.48Å; R23-E198 IonicContact NH2-OE2 2.57Å; R23-E198 PolarHBondContact NH2-OE2 3.28Å; R23-E198 VanDerWaalsContact NH2-OE2 3.16Å; D132-E198 WeakPolarHBondContact O-CB 3.39Å; D132-E198 PolarHBondContact O-N 3.32Å; L133-E198 CarbonylContact C-O 3.56Å; L133-E198 WeakPolarHBondContact CA-O 3.21Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.7Å; F134-E198 PolarHBondContact N-O 2.94Å; A196-E198 PolarHBondContact O-N 2.94Å; E198-R234 WeakPolarHBondContact CA-O 3.33Å; E198-R234 HydrophobicContact CB-CG 4.34Å; E198-R234 HydrophobicContact CG-CG 4.01Å; E198-R234 IonicContact OE1-CZ 3.37Å; E198-R234 IonicContact OE1-NE 2.77Å; E198-R234 PolarHBondContact OE1-NE 3.13Å; E198-R234 IonicContact OE1-NH2 3.16Å; E198-R234 PolarHBondContact OE1-NH2 3.31Å; E198-R234 VanDerWaalsContact OE1-NH2 3.16Å; E198-R234 IonicContact OE2-CZ 3.39Å; E198-R234 IonicContact OE2-NE 3.36Å; E198-R234 PolarHBondContact OE2-NE 2.94Å; E198-R234 IonicContact OE2-NH2 3.1Å; E198-R234 PolarHBondContact OE2-NH2 2.85Å; E198-R234 VanDerWaalsContact OE2-NH2 3.1Å
199V98.9Very high98.6Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-119.8132.7176.1178.50000109F134 V193 A196 I201 F229 R234 T235 I236F134-V199 HydrophobicContact CB-CG2 4.43Å; F134-V199 CarbonylContact O-C 3.33Å; F134-V199 WeakPolarHBondContact O-CA 3.41Å; V193-V199 HydrophobicContact CG1-CG1 4.28Å; V193-V199 HydrophobicContact CG1-CG2 4.11Å; A196-V199 HydrophobicContact CB-CG2 4.16Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.05Å; V199-F229 HydrophobicContact CB-CD1 4.45Å; V199-F229 HydrophobicContact CB-CE1 4.48Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CD2 4.49Å; V199-F229 HydrophobicContact CG1-CE1 3.97Å; V199-F229 HydrophobicContact CG1-CE2 4.32Å; V199-F229 HydrophobicContact CG1-CG 4.43Å; V199-F229 HydrophobicContact CG1-CZ 4.07Å; V199-F229 HydrophobicContact CG2-CD1 4.24Å; V199-F229 HydrophobicContact CG2-CE1 4.03Å; V199-R234 PolarHBondContact N-O 2.99Å; V199-T235 HydrophobicContact CB-CG2 4.3Å; V199-T235 HydrophobicContact CG1-CG2 4.29Å; V199-T235 CarbonylContact O-C 3.58Å; V199-T235 VanDerWaalsContact O-CA 3.31Å; V199-T235 WeakPolarHBondContact O-CA 3.36Å; V199-I236 PolarHBondContact O-N 2.99Å
200M98.9Very high98.6Very high0 Ų030.1 Ų30.10%015%0.152CC..EExtended strand (participates in β ladder)trans-122.4119.1172.5-176.7172.869.700110W15 A16 Y19 I20 L133 F134 V135 G136 I236 V238W15-M200 HydrophobicContact CZ3-SD 4.34Å; A16-M200 HydrophobicContact CB-CE 3.84Å; A16-M200 HydrophobicContact CB-SD 4.18Å; Y19-M200 HydrophobicContact CD1-SD 3.79Å; Y19-M200 HydrophobicContact CG-SD 4.48Å; I20-M200 HydrophobicContact CD1-CE 3.71Å; I20-M200 HydrophobicContact CG1-CE 3.73Å; L133-M200 HydrophobicContact CD1-CB 4.05Å; F134-M200 PolarHBondContact O-N 3.37Å; V135-M200 CarbonylContact C-O 3.56Å; V135-M200 VanDerWaalsContact CA-O 3.31Å; V135-M200 WeakPolarHBondContact CA-O 3.2Å; V135-M200 HydrophobicContact CB-CE 4.49Å; V135-M200 HydrophobicContact CG1-CE 3.89Å; V135-M200 HydrophobicContact CG2-CE 3.8Å; G136-M200 PolarHBondContact N-O 3.41Å; M200-I236 CarbonylContact C-O 3.52Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.5Å; M200-I236 HydrophobicContact CG-CG2 4.27Å; M200-V238 HydrophobicContact CG-CG2 3.92Å; M200-V238 HydrophobicContact SD-CG2 3.88Å
201I98.9Very high98.6Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-107.1118.7177-51.3-57.8000109.1G136 I138 I144 V199 I203 F229 I236 F237 V238G136-I201 WeakPolarHBondContact O-CA 3.39Å; I138-I201 HydrophobicContact CB-CG2 4.44Å; I144-I201 HydrophobicContact CD1-CD1 3.94Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.05Å; I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I201-F229 HydrophobicContact CD1-CD2 4.3Å; I201-F229 HydrophobicContact CD1-CE2 3.89Å; I201-F229 HydrophobicContact CG1-CD2 4.26Å; I201-F229 HydrophobicContact CG1-CE2 4.34Å; I201-I236 PolarHBondContact N-O 2.95Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.89Å; I201-F237 HydrophobicContact CG1-CD1 4.18Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.2Å; I201-F237 HydrophobicContact CG2-CE1 4.28Å; I201-F237 WeakPolarHBondContact O-CA 3.32Å; I201-V238 PolarHBondContact O-N 2.84Å
202L98.8Very high98.6Very high4 Ų429.8 Ų29.82%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-94.2127.4175.7-176.763.4000110A12 A16 T44 C48 G136 T204 V238A12-L202 HydrophobicContact CB-CD1 4.15Å; A16-L202 HydrophobicContact CB-CD1 4.3Å; T44-L202 HydrophobicContact CG2-CB 4.12Å; T44-L202 HydrophobicContact CG2-CD2 3.92Å; T44-L202 HydrophobicContact CG2-CG 3.67Å; T44-L202 WeakPolarHBondContact CG2-O 3.28Å; T44-L202 WeakPolarHBondContact O-CD2 3.49Å; C48-L202 HydrophobicContact CB-CD2 4.43Å; G136-L202 PolarHBondContact O-N 3.35Å; L202-T204 HydrophobicContact CD1-CG2 4.34Å; L202-V238 CarbonylContact C-O 3.51Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.91Å; L202-V238 HydrophobicContact CD1-CG1 3.92Å
203I98.8Very high98.6Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-138.4112.6-170.9-49.7178.6000109.7I138 I201 K208 L212 F237 V238 C239 D240 A243I138-I203 HydrophobicContact CB-CD1 4.36Å; I138-I203 HydrophobicContact CB-CG1 4.37Å; I138-I203 HydrophobicContact CG2-CB 4.09Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.6Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I203-K208 HydrophobicContact CG2-CB 3.65Å; I203-K208 HydrophobicContact CG2-CG 4.4Å; I203-L212 HydrophobicContact CD1-CB 4.48Å; I203-L212 HydrophobicContact CD1-CD1 3.65Å; I203-L212 HydrophobicContact CD1-CD2 4.43Å; I203-L212 HydrophobicContact CD1-CG 4.39Å; I203-F237 HydrophobicContact CD1-CD1 3.8Å; I203-F237 HydrophobicContact CD1-CE1 4.44Å; I203-V238 PolarHBondContact N-O 3.4Å; I203-C239 HydrophobicContact CB-CB 4.17Å; I203-C239 WeakPolarHBondContact O-CA 3.33Å; I203-C239 WeakPolarHBondContact O-CB 3.21Å; I203-D240 PolarHBondContact O-N 2.81Å; I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.85Å; I203-A243 WeakPolarHBondContact O-CB 3.42Å
204T98.6Very high98.6Very high10 Ų1033.7 Ų33.76%0.06116%0.164CC..  trans-133137.7-175.759.10000112.2Y9 A12 L202 H207 D240Y9-T204 HydrophobicContact CD2-CG2 3.86Å; A12-T204 HydrophobicContact CB-CG2 4.02Å; L202-T204 HydrophobicContact CD1-CG2 4.34Å; T204-H207 PolarHBondContact O-CE1 3.42Å; T204-H207 VanDerWaalsContact O-CE1 3.31Å; T204-D240 WeakPolarHBondContact CA-OD1 3.5Å; T204-D240 WeakPolarHBondContact CA-OD2 3.24Å; T204-D240 VanDerWaalsContact CB-OD2 3.32Å; T204-D240 WeakPolarHBondContact CB-OD2 3.48Å
205G98.2Very high98.6Very high12 Ų1231.7 Ų31.712%0.12416%0.155CC..SBendtrans90.6152.4173.800000114.9H207 K208 D240G205-H207 PolarHBondContact O-N 2.94Å; G205-H207 VanDerWaalsContact O-N 3.13Å; G205-K208 PolarHBondContact O-N 3.1Å; G205-D240 VanDerWaalsContact N-CG 3.31Å; G205-D240 PolarHBondContact N-OD1 2.89Å; G205-D240 PolarHBondContact N-OD2 2.86Å
206A98.3Very high98.6Very high49 Ų4927.5 Ų27.541%0.40513%0.132SC..G310 helixtrans-58.5-32.8-172.700000113.7K208 A209 D242 L245A206-K208 PolarHBondContact O-N 3.49Å; A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.39Å; A206-A209 PolarHBondContact O-N 2.87Å; A206-D242 WeakPolarHBondContact CA-O 3.34Å; A206-D242 HydrophobicContact CB-CB 4.39Å; A206-L245 HydrophobicContact CB-CD1 3.62Å
207H96.1Very high98.6Very high114 Ų11428.9 Ų28.953%0.52814%0.138SC..G310 helixtrans-62.3-817769.1-73.2000114.4T204 G205T204-H207 PolarHBondContact O-CE1 3.42Å; T204-H207 VanDerWaalsContact O-CE1 3.31Å; G205-H207 PolarHBondContact O-N 2.94Å; G205-H207 VanDerWaalsContact O-N 3.13Å
208K98.1Very high98.6Very high22 Ų2224.5 Ų24.510%0.09612%0.124CC..G310 helixtrans-109-4.7174.1-57.6-58.1-175.364.10113.8I138 P140 I203 G205 A206 F210 A211 L212I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.4Å; I138-K208 WeakPolarHBondContact O-CD 3.47Å; I138-K208 WeakPolarHBondContact O-CE 3.26Å; I138-K208 PolarHBondContact O-NZ 3.22Å; P140-K208 HydrophobicContact CG-CD 4.35Å; I203-K208 HydrophobicContact CG2-CB 3.65Å; I203-K208 HydrophobicContact CG2-CG 4.4Å; G205-K208 PolarHBondContact O-N 3.1Å; A206-K208 PolarHBondContact O-N 3.49Å; K208-F210 PolarHBondContact O-N 2.69Å; K208-A211 PolarHBondContact O-N 2.93Å; K208-L212 PolarHBondContact O-N 2.91Å
209A98.7Very high98.5Very high2 Ų226.7 Ų26.72%0.01715%0.146CC..Hα-helixtrans-61.4-43-172.500000112.8A206 A211 L212 Y213 A243 L245 E246A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.39Å; A206-A209 PolarHBondContact O-N 2.87Å; A209-A211 PolarHBondContact O-N 3.4Å; A209-L212 PolarHBondContact O-N 3.42Å; A209-Y213 PolarHBondContact O-N 3.48Å; A209-A243 VanDerWaalsContact CA-O 3.25Å; A209-A243 WeakPolarHBondContact CA-O 3.49Å; A209-A243 WeakPolarHBondContact CB-O 3.15Å; A209-L245 HydrophobicContact CB-CB 4.03Å; A209-E246 HydrophobicContact CB-CB 4.24Å; A209-E246 HydrophobicContact CB-CG 3.83Å
210F98.6Very high98.5Very high98 Ų9829.3 Ų29.343%0.4316%0.162SC..Hα-helixtrans-64.8-41.6178.3-171.5-108.5000112.6K208 L212 Y213 K214 W224 E246K208-F210 PolarHBondContact O-N 2.69Å; F210-L212 VanDerWaalsContact C-N 3.33Å; F210-L212 PolarHBondContact O-N 3.3Å; F210-Y213 HydrophobicContact CD2-CD1 4.2Å; F210-Y213 HydrophobicContact CE2-CD1 4.16Å; F210-Y213 HydrophobicContact CE2-CE1 4.39Å; F210-Y213 WeakPolarHBondContact O-CB 3.48Å; F210-Y213 PolarHBondContact O-N 3.48Å; F210-K214 HydrophobicContact CD1-CG 4.25Å; F210-K214 HydrophobicContact CE1-CD 4.47Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.23Å; F210-K214 WeakPolarHBondContact O-CG 3.25Å; F210-K214 PolarHBondContact O-N 2.92Å; F210-W224 AromaticContact CD1-CH2 3.91Å; F210-W224 HydrophobicContact CD1-CH2 3.91Å; F210-W224 HydrophobicContact CD1-CZ3 4.33Å; F210-W224 AromaticContact CE1-CH2 3.65Å; F210-W224 HydrophobicContact CE1-CH2 3.65Å; F210-W224 HydrophobicContact CE1-CZ2 4.04Å; F210-W224 HydrophobicContact CE1-CZ3 4.45Å; F210-E246 HydrophobicContact CB-CG 4.27Å; F210-E246 HydrophobicContact CD2-CG 4.5Å
211A98.5Very high98.5Very high1 Ų132.3 Ų32.31%0.00818%0.178CC..Hα-helixtrans-63.3-40.217600000111.6I138 G139 K208 A209 K214 A215 W224I138-A211 HydrophobicContact CD1-CB 3.67Å; I138-A211 HydrophobicContact CG1-CB 4Å; G139-A211 VanDerWaalsContact O-CB 3.31Å; G139-A211 WeakPolarHBondContact O-CB 3.21Å; K208-A211 PolarHBondContact O-N 2.93Å; A209-A211 PolarHBondContact O-N 3.4Å; A211-K214 PolarHBondContact O-N 3.43Å; A211-A215 VanDerWaalsContact O-CB 3.3Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.49Å; A211-W224 HydrophobicContact CB-CZ3 4.44Å
212L98.8Very high98.5Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-61.7-49.9174.3179.151.9000110.9I203 K208 A209 F210 K214 A215 I216 F237 C239 A243 L247I203-L212 HydrophobicContact CD1-CB 4.48Å; I203-L212 HydrophobicContact CD1-CD1 3.65Å; I203-L212 HydrophobicContact CD1-CD2 4.43Å; I203-L212 HydrophobicContact CD1-CG 4.39Å; K208-L212 PolarHBondContact O-N 2.91Å; A209-L212 PolarHBondContact O-N 3.42Å; F210-L212 VanDerWaalsContact C-N 3.33Å; F210-L212 PolarHBondContact O-N 3.3Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; L212-A215 PolarHBondContact O-N 3.22Å; L212-I216 HydrophobicContact CD1-CD1 3.76Å; L212-I216 HydrophobicContact CD1-CG1 3.96Å; L212-I216 HydrophobicContact CD1-CG2 3.87Å; L212-I216 HydrophobicContact CG-CD1 4.17Å; L212-I216 HydrophobicContact CG-CG1 4.39Å; L212-I216 WeakPolarHBondContact O-CG1 3.11Å; L212-I216 PolarHBondContact O-N 2.84Å; L212-F237 HydrophobicContact CD1-CD1 4.42Å; L212-C239 HydrophobicContact CD2-CB 4.43Å; L212-A243 HydrophobicContact CD2-CB 4.41Å; L212-A243 WeakPolarHBondContact CD2-O 3.44Å; L212-L247 HydrophobicContact CD2-CD1 4.06Å; L212-L247 HydrophobicContact CG-CD1 4.35Å; L212-L247 HydrophobicContact CG-CD2 4.29Å
213Y98.9Very high98.4Very high50 Ų5040.4 Ų40.420%0.19622%0.217CC..Hα-helixtrans-51.2-50.5174.6158.7-97.5000112A209 F210 A215 I216 E217 E218 E246A209-Y213 PolarHBondContact O-N 3.48Å; F210-Y213 HydrophobicContact CD2-CD1 4.2Å; F210-Y213 HydrophobicContact CE2-CD1 4.16Å; F210-Y213 HydrophobicContact CE2-CE1 4.39Å; F210-Y213 WeakPolarHBondContact O-CB 3.48Å; F210-Y213 PolarHBondContact O-N 3.48Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 2.92Å; Y213-I216 PolarHBondContact O-N 3.02Å; Y213-E217 HydrophobicContact CD2-CB 3.85Å; Y213-E217 HydrophobicContact CD2-CG 4.29Å; Y213-E217 HydrophobicContact CE2-CB 3.94Å; Y213-E217 WeakPolarHBondContact O-CB 3.11Å; Y213-E217 PolarHBondContact O-N 2.82Å; Y213-E218 HydrophobicContact CE1-CG 4.04Å; Y213-E218 VanDerWaalsContact CE1-OE1 3.23Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.33Å; Y213-E218 PolarHBondContact O-N 3Å; Y213-E218 PolarHBondContact OH-OE1 2.82Å; Y213-E246 WeakPolarHBondContact CD2-O 3.28Å; Y213-E246 HydrophobicContact CG-CB 4.37Å
214K98.8Very high98.4Very high35 Ų3542.7 Ų42.715%0.15223%0.226CC..Hα-helixtrans-60.3-38.2177.3-71.8-64.3-166.2-178.20112.9F210 A211 L212 E218 W224F210-K214 HydrophobicContact CD1-CG 4.25Å; F210-K214 HydrophobicContact CE1-CD 4.47Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.23Å; F210-K214 WeakPolarHBondContact O-CG 3.25Å; F210-K214 PolarHBondContact O-N 2.92Å; A211-K214 PolarHBondContact O-N 3.43Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; K214-E218 HydrophobicContact CD-CG 4.23Å; K214-E218 WeakPolarHBondContact CD-OE2 3.24Å; K214-E218 IonicContact NZ-OE1 2.78Å; K214-E218 PolarHBondContact NZ-OE1 3.29Å; K214-E218 IonicContact NZ-OE2 3.43Å; K214-E218 PolarHBondContact NZ-OE2 3.41Å; K214-W224 HydrophobicContact CB-CB 4.26Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.54Å; K214-W224 HydrophobicContact CB-CG 3.7Å; K214-W224 HydrophobicContact CB-CZ2 4.48Å; K214-W224 HydrophobicContact CB-CZ3 4.16Å; K214-W224 HydrophobicContact CD-CD2 4.24Å; K214-W224 HydrophobicContact CD-CZ2 4.08Å; K214-W224 HydrophobicContact CG-CD2 3.63Å; K214-W224 HydrophobicContact CG-CE3 3.76Å; K214-W224 HydrophobicContact CG-CG 4.28Å; K214-W224 HydrophobicContact CG-CH2 3.93Å; K214-W224 HydrophobicContact CG-CZ2 3.74Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å
215A98.6Very high98.4Very high1 Ų142.3 Ų42.31%0.00822%0.223CC..Hα-helixtrans-74.4-31.4-17700000113.9I138 A211 L212 Y213 V226 S227 Q230I138-A215 HydrophobicContact CD1-CB 4.06Å; A211-A215 VanDerWaalsContact O-CB 3.3Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.49Å; L212-A215 PolarHBondContact O-N 3.22Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 2.92Å; A215-V226 HydrophobicContact CB-CB 3.97Å; A215-V226 HydrophobicContact CB-CG1 3.75Å; A215-S227 WeakPolarHBondContact O-CA 3.24Å; A215-Q230 PolarHBondContact O-NE2 2.63Å
216I98.7Very high98.5Very high20 Ų2041.7 Ų41.710%0.10322%0.217CC..Hα-helixtrans-122.1-18.4-170.573.2167.2000115.9M1 L3 L212 Y213 F237 L247M1-I216 HydrophobicContact CE-CB 4.01Å; M1-I216 HydrophobicContact CE-CD1 3.92Å; M1-I216 HydrophobicContact CE-CG1 4.43Å; M1-I216 HydrophobicContact SD-CB 3.98Å; M1-I216 HydrophobicContact SD-CD1 4.48Å; M1-I216 HydrophobicContact SD-CG2 3.88Å; L3-I216 HydrophobicContact CD2-CD1 4.03Å; L212-I216 HydrophobicContact CD1-CD1 3.76Å; L212-I216 HydrophobicContact CD1-CG1 3.96Å; L212-I216 HydrophobicContact CD1-CG2 3.87Å; L212-I216 HydrophobicContact CG-CD1 4.17Å; L212-I216 HydrophobicContact CG-CG1 4.39Å; L212-I216 WeakPolarHBondContact O-CG1 3.11Å; L212-I216 PolarHBondContact O-N 2.84Å; Y213-I216 PolarHBondContact O-N 3.02Å; I216-F237 HydrophobicContact CG2-CD2 4.31Å; I216-F237 HydrophobicContact CG2-CE1 4.19Å; I216-F237 HydrophobicContact CG2-CE2 3.93Å; I216-F237 HydrophobicContact CG2-CZ 3.87Å; I216-L247 HydrophobicContact CD1-CD1 4.03Å; I216-L247 HydrophobicContact CD1-CD2 3.96Å; I216-L247 HydrophobicContact CG1-CD2 4.01Å
217E98.8Very high98.5Very high33 Ų3339.4 Ų39.415%0.15420%0.198CC..THydrogen-bonded Turntrans-107.8-26.4177-67.2-156167.800113.9Y213 L247 R248 T251Y213-E217 HydrophobicContact CD2-CB 3.85Å; Y213-E217 HydrophobicContact CD2-CG 4.29Å; Y213-E217 HydrophobicContact CE2-CB 3.94Å; Y213-E217 WeakPolarHBondContact O-CB 3.11Å; Y213-E217 PolarHBondContact O-N 2.82Å; E217-L247 HydrophobicContact CG-CD2 3.99Å; E217-R248 WeakPolarHBondContact OE1-CB 3.26Å; E217-R248 PolarHBondContact OE1-N 2.66Å; E217-R248 WeakPolarHBondContact OE2-CD 3.35Å; E217-R248 VanDerWaalsContact OE2-CG 3.24Å; E217-R248 WeakPolarHBondContact OE2-CG 3.44Å; E217-R248 IonicContact OE2-CZ 3.35Å; E217-R248 IonicContact OE2-NE 2.69Å; E217-R248 PolarHBondContact OE2-NE 2.88Å; E217-T251 VanDerWaalsContact OE1-CB 3.23Å; E217-T251 WeakPolarHBondContact OE1-CB 3.28Å; E217-T251 PolarHBondContact OE1-OG1 2.82Å
218E98.7Very high98.6Very high63 Ų6334 Ų3429%0.29417%0.173SC..SBendtrans-84.5179.6165.1-66.6-168.2-174.100111.1Y213 K214 Q230Y213-E218 HydrophobicContact CE1-CG 4.04Å; Y213-E218 VanDerWaalsContact CE1-OE1 3.23Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.33Å; Y213-E218 PolarHBondContact O-N 3Å; Y213-E218 PolarHBondContact OH-OE1 2.82Å; K214-E218 HydrophobicContact CD-CG 4.23Å; K214-E218 WeakPolarHBondContact CD-OE2 3.24Å; K214-E218 IonicContact NZ-OE1 2.78Å; K214-E218 PolarHBondContact NZ-OE1 3.29Å; K214-E218 IonicContact NZ-OE2 3.43Å; K214-E218 PolarHBondContact NZ-OE2 3.41Å; E218-Q230 PolarHBondContact O-NE2 3.33Å
219G98.2Very high98.7Very high46 Ų4633 Ų3347%0.47417%0.169SC..  trans-84.8168.8-178.400000113.7N221G219-N221 PolarHBondContact O-N 2.97Å
220V98.8Very high98.7Very high56 Ų5637 Ų3734%0.33919%0.187SC..  trans-53118.7170.4-179.70000110.3L153 Q230 Q231L153-V220 HydrophobicContact CD1-CG1 3.42Å; L153-V220 VanDerWaalsContact CD1-CG1 3.42Å; V220-Q230 HydrophobicContact CG2-CB 4.03Å; V220-Q231 HydrophobicContact CG2-CG 3.98Å
221N98.6Very high98.7Very high62 Ų6239 Ų3933%0.33220%0.198SC..  trans-150.7128.7-174.5-172.9-23.5000110.9G219 M223 W224 S227G219-N221 PolarHBondContact O-N 2.97Å; N221-M223 PolarHBondContact O-N 2.89Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.49Å; N221-M223 WeakPolarHBondContact OD1-CG 3.39Å; N221-M223 PolarHBondContact OD1-N 3.4Å; N221-W224 CarbonylContact O-C 3.57Å; N221-W224 PolarHBondContact O-N 2.97Å; N221-W224 VanDerWaalsContact O-O 3.11Å; N221-S227 PolarHBondContact N-OG 3.21Å; N221-S227 PolarHBondContact O-OG 3.07Å; N221-S227 VanDerWaalsContact O-OG 3.06Å
222H98.3Very high98.7Very high91 Ų9139.6 Ų39.642%0.42120%0.2SC..THydrogen-bonded Turntrans-66.1-9.2178.575.7159.6000115.2G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 2.87Å; G150-H222 PolarHBondContact O-ND1 2.86Å; S151-H222 WeakPolarHBondContact O-CB 3.41Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4.01Å; H222-W224 VanDerWaalsContact C-N 3.34Å; H222-T225 WeakPolarHBondContact O-CG2 3.42Å
223M98.3Very high98.7Very high84 Ų8445.6 Ų45.641%0.41424%0.239SC..THydrogen-bonded Turntrans-78.4-19.1170.6-63.1-56-70.100113P149 N221P149-M223 HydrophobicContact CB-CE 3.63Å; P149-M223 WeakPolarHBondContact CB-O 3.27Å; P149-M223 HydrophobicContact CB-SD 4.09Å; N221-M223 PolarHBondContact O-N 2.89Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.49Å; N221-M223 WeakPolarHBondContact OD1-CG 3.39Å; N221-M223 PolarHBondContact OD1-N 3.4Å
224W98.5Very high98.7Very high48 Ų4847.9 Ų47.918%0.18225%0.248CC..SBendtrans-132.776.6179.4-55.393.5000107.5D141 G142 F210 A211 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.43Å; D141-W224 VanDerWaalsContact C-CZ3 3.4Å; D141-W224 WeakPolarHBondContact O-CZ3 3.24Å; G142-W224 CarbonylContact O-C 3.3Å; F210-W224 AromaticContact CD1-CH2 3.91Å; F210-W224 HydrophobicContact CD1-CH2 3.91Å; F210-W224 HydrophobicContact CD1-CZ3 4.33Å; F210-W224 AromaticContact CE1-CH2 3.65Å; F210-W224 HydrophobicContact CE1-CH2 3.65Å; F210-W224 HydrophobicContact CE1-CZ2 4.04Å; F210-W224 HydrophobicContact CE1-CZ3 4.45Å; A211-W224 HydrophobicContact CB-CZ3 4.44Å; K214-W224 HydrophobicContact CB-CB 4.26Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.54Å; K214-W224 HydrophobicContact CB-CG 3.7Å; K214-W224 HydrophobicContact CB-CZ2 4.48Å; K214-W224 HydrophobicContact CB-CZ3 4.16Å; K214-W224 HydrophobicContact CD-CD2 4.24Å; K214-W224 HydrophobicContact CD-CZ2 4.08Å; K214-W224 HydrophobicContact CG-CD2 3.63Å; K214-W224 HydrophobicContact CG-CE3 3.76Å; K214-W224 HydrophobicContact CG-CG 4.28Å; K214-W224 HydrophobicContact CG-CH2 3.93Å; K214-W224 HydrophobicContact CG-CZ2 3.74Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å; N221-W224 CarbonylContact O-C 3.57Å; N221-W224 PolarHBondContact O-N 2.97Å; N221-W224 VanDerWaalsContact O-O 3.11Å; H222-W224 VanDerWaalsContact C-N 3.34Å; W224-V226 PolarHBondContact O-N 3.32Å; W224-V226 VanDerWaalsContact O-N 3.09Å; W224-S227 WeakPolarHBondContact O-CB 3.31Å; W224-S227 PolarHBondContact O-N 3.47Å; W224-S227 PolarHBondContact O-OG 3.2Å
225T98.8Very high98.7Very high1 Ų146.4 Ų46.41%0.00624%0.242CC..G310 helixtrans-64.4-21.9-160.855.60000114.7G142 H143 I144 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-N 2.6Å; G142-T225 VanDerWaalsContact O-N 3.1Å; H143-T225 WeakPolarHBondContact CA-OG1 3.42Å; I144-T225 PolarHBondContact N-OG1 2.87Å; I144-T225 VanDerWaalsContact N-OG1 3.08Å; N147-T225 HydrophobicContact CB-CG2 4.23Å; N147-T225 WeakPolarHBondContact O-CG2 3.48Å; N147-T225 PolarHBondContact O-OG1 2.68Å; L153-T225 HydrophobicContact CD2-CG2 4.12Å; V190-T225 HydrophobicContact CG2-CG2 4.25Å; H222-T225 WeakPolarHBondContact O-CG2 3.42Å; T225-S227 PolarHBondContact O-N 3.16Å; T225-A228 VanDerWaalsContact O-CB 3.23Å; T225-A228 WeakPolarHBondContact O-CB 3.48Å; T225-A228 PolarHBondContact O-N 2.93Å; T225-A228 VanDerWaalsContact O-N 3.09Å
226V98.8Very high98.7Very high0 Ų046.5 Ų46.50%024%0.242CC..G310 helixtrans-60-24.9169.1174.40000112.5I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.06Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.07Å; I138-V226 HydrophobicContact CG1-CB 4.34Å; I138-V226 HydrophobicContact CG1-CG2 3.79Å; G142-V226 WeakPolarHBondContact O-CG2 3.38Å; G142-V226 PolarHBondContact O-N 3.01Å; I144-V226 HydrophobicContact CB-CG2 3.91Å; A215-V226 HydrophobicContact CB-CB 3.97Å; A215-V226 HydrophobicContact CB-CG1 3.75Å; W224-V226 PolarHBondContact O-N 3.32Å; W224-V226 VanDerWaalsContact O-N 3.09Å; V226-A228 PolarHBondContact O-N 2.96Å; V226-A228 VanDerWaalsContact O-N 3.13Å; V226-F229 HydrophobicContact CB-CD2 4.43Å; V226-F229 HydrophobicContact CG1-CD2 3.98Å; V226-F229 HydrophobicContact CG1-CE2 4.46Å; V226-F229 WeakPolarHBondContact O-CD2 3.32Å; V226-F229 PolarHBondContact O-N 2.76Å; V226-F229 VanDerWaalsContact O-N 3.08Å; V226-F237 HydrophobicContact CG1-CE1 3.63Å; V226-F237 HydrophobicContact CG1-CZ 4.11Å
227S98.9Very high98.7Very high0 Ų045.7 Ų45.70%024%0.238CC..G310 helixtrans-60.4-20.2174.369.10000113.6A215 N221 W224 T225 F229 Q230A215-S227 WeakPolarHBondContact O-CA 3.24Å; N221-S227 PolarHBondContact N-OG 3.21Å; N221-S227 PolarHBondContact O-OG 3.07Å; N221-S227 VanDerWaalsContact O-OG 3.06Å; W224-S227 WeakPolarHBondContact O-CB 3.31Å; W224-S227 PolarHBondContact O-N 3.47Å; W224-S227 PolarHBondContact O-OG 3.2Å; T225-S227 PolarHBondContact O-N 3.16Å; S227-F229 PolarHBondContact O-N 3.02Å; S227-Q230 WeakPolarHBondContact O-CB 3.33Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.26Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 VanDerWaalsContact O-N 3.08Å
228A98.9Very high98.7Very high2 Ų244.1 Ų44.12%0.01723%0.23CC..G310 helixtrans-55.9-32.517300000112.4L153 V190 M194 T225 V226 Q230 Q231L153-A228 HydrophobicContact CD2-CB 4.13Å; V190-A228 HydrophobicContact CG1-CB 3.55Å; M194-A228 HydrophobicContact SD-CB 4.27Å; T225-A228 VanDerWaalsContact O-CB 3.23Å; T225-A228 WeakPolarHBondContact O-CB 3.48Å; T225-A228 PolarHBondContact O-N 2.93Å; T225-A228 VanDerWaalsContact O-N 3.09Å; V226-A228 PolarHBondContact O-N 2.96Å; V226-A228 VanDerWaalsContact O-N 3.13Å; A228-Q230 PolarHBondContact O-N 3.43Å; A228-Q230 VanDerWaalsContact O-N 3.1Å; A228-Q231 PolarHBondContact O-N 3.15Å
229F98.8Very high98.7Very high1 Ų141.1 Ų41.10%0.00422%0.216CC..G310 helixtrans-70.6-5.3-179.3-58.8-54.9000114.3I144 V193 M194 V199 I201 V226 S227 Q231 H232 T235 F237I144-F229 HydrophobicContact CB-CE2 4.11Å; I144-F229 HydrophobicContact CB-CZ 4.39Å; I144-F229 HydrophobicContact CD1-CE2 4.33Å; I144-F229 HydrophobicContact CD1-CZ 4.49Å; I144-F229 HydrophobicContact CG1-CE2 4.01Å; I144-F229 HydrophobicContact CG1-CZ 3.95Å; I144-F229 HydrophobicContact CG2-CE2 4.28Å; I144-F229 HydrophobicContact CG2-CZ 4.32Å; V193-F229 HydrophobicContact CB-CE1 4.2Å; V193-F229 HydrophobicContact CB-CZ 4.04Å; V193-F229 HydrophobicContact CG1-CE1 3.7Å; V193-F229 HydrophobicContact CG1-CZ 3.48Å; V193-F229 VanDerWaalsContact CG1-CZ 3.48Å; M194-F229 HydrophobicContact CG-CD1 4.41Å; M194-F229 HydrophobicContact CG-CE1 4.12Å; M194-F229 HydrophobicContact SD-CD1 3.45Å; M194-F229 WeakPolarHBondContact SD-CD1 3.25Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.46Å; V199-F229 HydrophobicContact CB-CD1 4.45Å; V199-F229 HydrophobicContact CB-CE1 4.48Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CD2 4.49Å; V199-F229 HydrophobicContact CG1-CE1 3.97Å; V199-F229 HydrophobicContact CG1-CE2 4.32Å; V199-F229 HydrophobicContact CG1-CG 4.43Å; V199-F229 HydrophobicContact CG1-CZ 4.07Å; V199-F229 HydrophobicContact CG2-CD1 4.24Å; V199-F229 HydrophobicContact CG2-CE1 4.03Å; I201-F229 HydrophobicContact CD1-CD2 4.3Å; I201-F229 HydrophobicContact CD1-CE2 3.89Å; I201-F229 HydrophobicContact CG1-CD2 4.26Å; I201-F229 HydrophobicContact CG1-CE2 4.34Å; V226-F229 HydrophobicContact CB-CD2 4.43Å; V226-F229 HydrophobicContact CG1-CD2 3.98Å; V226-F229 HydrophobicContact CG1-CE2 4.46Å; V226-F229 WeakPolarHBondContact O-CD2 3.32Å; V226-F229 PolarHBondContact O-N 2.76Å; V226-F229 VanDerWaalsContact O-N 3.08Å; S227-F229 PolarHBondContact O-N 3.02Å; F229-Q231 PolarHBondContact O-N 2.73Å; F229-H232 HydrophobicContact CB-CB 4.32Å; F229-H232 HydrophobicContact CD1-CB 4.1Å; F229-H232 PolarHBondContact O-N 3.37Å; F229-T235 HydrophobicContact CB-CG2 3.9Å; F229-T235 HydrophobicContact CG-CG2 4.37Å; F229-F237 HydrophobicContact CB-CZ 4.32Å
230Q98.8Very high98.7Very high84 Ų8439.4 Ų39.439%0.39320%0.196SC..G310 helixtrans-60.4-26.8164.7-65.7-178.723.900111.7A215 E218 V220 S227 A228A215-Q230 PolarHBondContact O-NE2 2.63Å; E218-Q230 PolarHBondContact O-NE2 3.33Å; V220-Q230 HydrophobicContact CG2-CB 4.03Å; S227-Q230 WeakPolarHBondContact O-CB 3.33Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.26Å; S227-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 VanDerWaalsContact O-N 3.08Å; A228-Q230 PolarHBondContact O-N 3.43Å; A228-Q230 VanDerWaalsContact O-N 3.1Å
231Q98.8Very high98.7Very high141 Ų14139.9 Ų39.966%0.65920%0.195SC*.G310 helixtrans-97.5-1.3178.6-61.4-178-33.900113.2M194 V220 A228 F229M194-Q231 HydrophobicContact CE-CB 4.33Å; V220-Q231 HydrophobicContact CG2-CG 3.98Å; A228-Q231 PolarHBondContact O-N 3.15Å; F229-Q231 PolarHBondContact O-N 2.73Å
232H98.9Very high98.7Very high13 Ų1341 Ų416%0.0620%0.201CC..  trans-83.4133.4178.2-175.7-98.1000110.5M194 A196 F229 R234 T235M194-H232 HydrophobicContact CE-CB 3.96Å; M194-H232 PolarHBondContact O-CD2 2.82Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 HydrophobicContact SD-CB 3.78Å; A196-H232 PolarHBondContact O-NE2 3.32Å; F229-H232 HydrophobicContact CB-CB 4.32Å; F229-H232 HydrophobicContact CD1-CB 4.1Å; F229-H232 PolarHBondContact O-N 3.37Å; H232-R234 PolarHBondContact CE1-O 2.99Å; H232-R234 PolarHBondContact ND1-N 3.05Å; H232-R234 VanDerWaalsContact ND1-N 3.16Å; H232-R234 PolarHBondContact ND1-O 3Å; H232-R234 VanDerWaalsContact ND1-O 3.15Å; H232-R234 PolarHBondContact O-N 3.36Å; H232-T235 WeakPolarHBondContact CB-OG1 3.32Å; H232-T235 PolarHBondContact ND1-OG1 3.28Å
233P98.5Very high98.8Very high126 Ų12636.7 Ų36.782%0.81818%0.181SC*.THydrogen-bonded Turntrans-65.5-23.4-173.925.3-35.8000113.5
234R98.8Very high98.8Very high99 Ų9933.2 Ų33.237%0.37416%0.164SC..THydrogen-bonded Turntrans-145.376.1-172.7-165.3177.6171.9165.4-6113.2Y19 E198 V199 H232Y19-R234 PolarHBondContact OH-NH2 2.88Å; E198-R234 WeakPolarHBondContact CA-O 3.33Å; E198-R234 HydrophobicContact CB-CG 4.34Å; E198-R234 HydrophobicContact CG-CG 4.01Å; E198-R234 IonicContact OE1-CZ 3.37Å; E198-R234 IonicContact OE1-NE 2.77Å; E198-R234 PolarHBondContact OE1-NE 3.13Å; E198-R234 IonicContact OE1-NH2 3.16Å; E198-R234 PolarHBondContact OE1-NH2 3.31Å; E198-R234 VanDerWaalsContact OE1-NH2 3.16Å; E198-R234 IonicContact OE2-CZ 3.39Å; E198-R234 IonicContact OE2-NE 3.36Å; E198-R234 PolarHBondContact OE2-NE 2.94Å; E198-R234 IonicContact OE2-NH2 3.1Å; E198-R234 PolarHBondContact OE2-NH2 2.85Å; E198-R234 VanDerWaalsContact OE2-NH2 3.1Å; V199-R234 PolarHBondContact N-O 2.99Å; H232-R234 PolarHBondContact CE1-O 2.99Å; H232-R234 PolarHBondContact ND1-N 3.05Å; H232-R234 VanDerWaalsContact ND1-N 3.16Å; H232-R234 PolarHBondContact ND1-O 3Å; H232-R234 VanDerWaalsContact ND1-O 3.15Å; H232-R234 PolarHBondContact O-N 3.36Å
235T98.9Very high98.8Very high4 Ų436.3 Ų36.33%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-112.2132.5174.5-56.50000112.3M1 R2 V199 F229 H232 F237M1-T235 CarbonylContact C-O 3.54Å; M1-T235 VanDerWaalsContact CA-O 3.27Å; M1-T235 WeakPolarHBondContact CA-O 3.32Å; R2-T235 PolarHBondContact N-O 2.66Å; V199-T235 HydrophobicContact CB-CG2 4.3Å; V199-T235 HydrophobicContact CG1-CG2 4.29Å; V199-T235 CarbonylContact O-C 3.58Å; V199-T235 VanDerWaalsContact O-CA 3.31Å; V199-T235 WeakPolarHBondContact O-CA 3.36Å; F229-T235 HydrophobicContact CB-CG2 3.9Å; F229-T235 HydrophobicContact CG-CG2 4.37Å; H232-T235 WeakPolarHBondContact CB-OG1 3.32Å; H232-T235 PolarHBondContact ND1-OG1 3.28Å; T235-F237 HydrophobicContact CG2-CD2 4.04Å; T235-F237 HydrophobicContact CG2-CE2 3.55Å; T235-F237 HydrophobicContact CG2-CZ 3.84Å
236I98.9Very high98.8Very high2 Ų241.4 Ų41.41%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-110.5129.9168.5-74.6161.3000108.8R2 V4 W15 Y19 V199 M200 I201 V238 L265R2-I236 HydrophobicContact CB-CG1 3.85Å; R2-I236 HydrophobicContact CG-CG1 4.3Å; R2-I236 CarbonylContact O-C 3.53Å; R2-I236 WeakPolarHBondContact O-CA 3.36Å; V4-I236 HydrophobicContact CG2-CG2 4.17Å; W15-I236 HydrophobicContact CH2-CG2 4.18Å; W15-I236 HydrophobicContact CZ3-CG2 4.05Å; Y19-I236 HydrophobicContact CE1-CD1 3.72Å; Y19-I236 HydrophobicContact CE2-CD1 4.15Å; Y19-I236 WeakPolarHBondContact OH-CD1 3.48Å; V199-I236 PolarHBondContact O-N 2.99Å; M200-I236 CarbonylContact C-O 3.52Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.5Å; M200-I236 HydrophobicContact CG-CG2 4.27Å; I201-I236 PolarHBondContact N-O 2.95Å; I236-V238 HydrophobicContact CG2-CG2 3.63Å; I236-L265 HydrophobicContact CD1-CD1 4.34Å
237F98.9Very high98.8Very high4 Ų442.1 Ų42.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-102.6125.5165.2-66.5-86.8000107.9M1 R2 L3 V4 I201 I203 L212 I216 V226 F229 T235M1-F237 HydrophobicContact CB-CD2 4.06Å; M1-F237 HydrophobicContact CB-CE2 3.99Å; M1-F237 HydrophobicContact CG-CD2 4.46Å; M1-F237 HydrophobicContact SD-CD2 3.82Å; M1-F237 HydrophobicContact SD-CE2 3.83Å; R2-F237 PolarHBondContact O-N 3.19Å; L3-F237 CarbonylContact C-O 3.57Å; L3-F237 WeakPolarHBondContact CA-O 3.43Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; V4-F237 PolarHBondContact N-O 2.96Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.89Å; I201-F237 HydrophobicContact CG1-CD1 4.18Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.2Å; I201-F237 HydrophobicContact CG2-CE1 4.28Å; I201-F237 WeakPolarHBondContact O-CA 3.32Å; I203-F237 HydrophobicContact CD1-CD1 3.8Å; I203-F237 HydrophobicContact CD1-CE1 4.44Å; L212-F237 HydrophobicContact CD1-CD1 4.42Å; I216-F237 HydrophobicContact CG2-CD2 4.31Å; I216-F237 HydrophobicContact CG2-CE1 4.19Å; I216-F237 HydrophobicContact CG2-CE2 3.93Å; I216-F237 HydrophobicContact CG2-CZ 3.87Å; V226-F237 HydrophobicContact CG1-CE1 3.63Å; V226-F237 HydrophobicContact CG1-CZ 4.11Å; F229-F237 HydrophobicContact CB-CZ 4.32Å; T235-F237 HydrophobicContact CG2-CD2 4.04Å; T235-F237 HydrophobicContact CG2-CE2 3.55Å; T235-F237 HydrophobicContact CG2-CZ 3.84Å
238V98.9Very high98.8Very high0 Ų049.5 Ų49.50%024%0.239CC..EExtended strand (participates in β ladder)trans-112.6121.2175.4-171.40000107.3L6 A12 W15 M200 I201 L202 I203 I236L6-V238 HydrophobicContact CD2-CG1 3.68Å; A12-V238 HydrophobicContact CB-CG1 4.35Å; W15-V238 HydrophobicContact CB-CG1 4.44Å; W15-V238 HydrophobicContact CD2-CG1 4.41Å; W15-V238 HydrophobicContact CE3-CB 4.38Å; W15-V238 HydrophobicContact CE3-CG1 3.88Å; W15-V238 HydrophobicContact CE3-CG2 3.52Å; W15-V238 HydrophobicContact CZ3-CG2 3.48Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.48Å; M200-V238 HydrophobicContact CG-CG2 3.92Å; M200-V238 HydrophobicContact SD-CG2 3.88Å; I201-V238 PolarHBondContact O-N 2.84Å; L202-V238 CarbonylContact C-O 3.51Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.91Å; L202-V238 HydrophobicContact CD1-CG1 3.92Å; I203-V238 PolarHBondContact N-O 3.4Å; I236-V238 HydrophobicContact CG2-CG2 3.63Å
239C98.8Very high98.8Very high0 Ų054.1 Ų54.10%027%0.267CS..EExtended strand (participates in β ladder)trans-141.1159-177700000113.7V4 I5 L6 I203 L212 A243 T244V4-C239 PolarHBondContact O-N 3.01Å; V4-C239 PolarHBondContact O-SG 3.09Å; I5-C239 WeakPolarHBondContact CA-O 3.31Å; L6-C239 WeakPolarHBondContact CD2-O 3.37Å; L6-C239 PolarHBondContact N-O 2.88Å; I203-C239 HydrophobicContact CB-CB 4.17Å; I203-C239 WeakPolarHBondContact O-CA 3.33Å; I203-C239 WeakPolarHBondContact O-CB 3.21Å; L212-C239 HydrophobicContact CD2-CB 4.43Å; C239-A243 HydrophobicContact CB-CB 3.89Å; C239-T244 VanDerWaalsContact SG-CG2 3.6Å
240D98.8Very high98.8Very high9 Ų962.4 Ų62.45%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-85.1172.5166.461.37.1000111.2L6 I203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.54Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 VanDerWaalsContact O-CA 3.24Å; L6-D240 WeakPolarHBondContact O-CA 3.31Å; I203-D240 PolarHBondContact O-N 2.81Å; T204-D240 WeakPolarHBondContact CA-OD1 3.5Å; T204-D240 WeakPolarHBondContact CA-OD2 3.24Å; T204-D240 VanDerWaalsContact CB-OD2 3.32Å; T204-D240 WeakPolarHBondContact CB-OD2 3.48Å; G205-D240 VanDerWaalsContact N-CG 3.31Å; G205-D240 PolarHBondContact N-OD1 2.89Å; G205-D240 PolarHBondContact N-OD2 2.86Å; D240-D242 VanDerWaalsContact C-N 3.3Å; D240-D242 PolarHBondContact O-N 2.94Å; D240-A243 PolarHBondContact O-N 3.02Å; D240-A243 WeakPolarHBondContact OD1-CB 3.41Å; D240-A243 PolarHBondContact OD1-N 2.78Å
241E98.7Very high98.8Very high66 Ų6659.8 Ų59.831%0.30829%0.293SS..SBendtrans-58.9-43.1178.1-70.4-72.9169.900111.4L6 A243 T244 K256L6-E241 PolarHBondContact O-N 2.95Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 2.94Å; E241-T244 WeakPolarHBondContact O-CA 3.36Å; E241-T244 WeakPolarHBondContact O-CB 3.37Å; E241-T244 PolarHBondContact O-N 3.17Å; E241-T244 PolarHBondContact O-OG1 2.93Å; E241-K256 WeakPolarHBondContact OE1-CE 3.41Å; E241-K256 IonicContact OE1-NZ 3.63Å; E241-K256 PolarHBondContact OE1-NZ 3.19Å; E241-K256 WeakPolarHBondContact OE2-CE 3.16Å; E241-K256 IonicContact OE2-NZ 2.93Å; E241-K256 PolarHBondContact OE2-NZ 3.28Å
242D98.8Very high98.8Very high87 Ų8754.1 Ų54.147%0.46527%0.268SS..G310 helixtrans-60.2-35.4-177.5-84.11.4000112.7A206 D240 T244 L245A206-D242 WeakPolarHBondContact CA-O 3.34Å; A206-D242 HydrophobicContact CB-CB 4.39Å; D240-D242 VanDerWaalsContact C-N 3.3Å; D240-D242 PolarHBondContact O-N 2.94Å; D242-T244 PolarHBondContact O-N 3.47Å; D242-L245 WeakPolarHBondContact O-CD1 3.46Å; D242-L245 WeakPolarHBondContact O-CG 3.27Å; D242-L245 PolarHBondContact O-N 3.47Å
243A98.8Very high98.8Very high0 Ų060.6 Ų60.60%030%0.296CS..G310 helixtrans-67-13.6174.100000113.4I203 A209 L212 C239 D240 E241I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.85Å; I203-A243 WeakPolarHBondContact O-CB 3.42Å; A209-A243 VanDerWaalsContact CA-O 3.25Å; A209-A243 WeakPolarHBondContact CA-O 3.49Å; A209-A243 WeakPolarHBondContact CB-O 3.15Å; L212-A243 HydrophobicContact CD2-CB 4.41Å; L212-A243 WeakPolarHBondContact CD2-O 3.44Å; C239-A243 HydrophobicContact CB-CB 3.89Å; D240-A243 PolarHBondContact O-N 3.02Å; D240-A243 WeakPolarHBondContact OD1-CB 3.41Å; D240-A243 PolarHBondContact OD1-N 2.78Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 2.94Å
244T98.8Very high98.8Very high11 Ų1161.5 Ų61.57%0.06728%0.284CS..G310 helixtrans-96.21.2-177.672.50000114.7I5 C239 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.19Å; I5-T244 HydrophobicContact CG1-CG2 4.24Å; I5-T244 HydrophobicContact CG2-CG2 3.95Å; C239-T244 VanDerWaalsContact SG-CG2 3.6Å; E241-T244 WeakPolarHBondContact O-CA 3.36Å; E241-T244 WeakPolarHBondContact O-CB 3.37Å; E241-T244 PolarHBondContact O-N 3.17Å; E241-T244 PolarHBondContact O-OG1 2.93Å; D242-T244 PolarHBondContact O-N 3.47Å; T244-E246 PolarHBondContact O-N 3.05Å; T244-E246 VanDerWaalsContact O-N 3.1Å; T244-L247 HydrophobicContact CG2-CD1 4.1Å; T244-L247 WeakPolarHBondContact O-CB 3.27Å; T244-L247 PolarHBondContact O-N 3Å
245L98.8Very high98.8Very high112 Ų11257.7 Ų57.759%0.58627%0.27SS*.THydrogen-bonded Turntrans-57.1-30.3-171.6-70.4170.8000114.9A206 A209 D242A206-L245 HydrophobicContact CB-CD1 3.62Å; A209-L245 HydrophobicContact CB-CB 4.03Å; D242-L245 WeakPolarHBondContact O-CD1 3.46Å; D242-L245 WeakPolarHBondContact O-CG 3.27Å; D242-L245 PolarHBondContact O-N 3.47Å
246E98.8Very high98.8Very high108 Ų10861.5 Ų61.551%0.50529%0.286SS..THydrogen-bonded Turntrans-94.5-1.8179.8-64.6-64.7156.100113.2A209 F210 Y213 T244A209-E246 HydrophobicContact CB-CB 4.24Å; A209-E246 HydrophobicContact CB-CG 3.83Å; F210-E246 HydrophobicContact CB-CG 4.27Å; F210-E246 HydrophobicContact CD2-CG 4.5Å; Y213-E246 WeakPolarHBondContact CD2-O 3.28Å; Y213-E246 HydrophobicContact CG-CB 4.37Å; T244-E246 PolarHBondContact O-N 3.05Å; T244-E246 VanDerWaalsContact O-N 3.1Å
247L98.9Very high98.7Very high15 Ų1563.6 Ų63.68%0.07931%0.308CS..SBendtrans-80.9150.6179.2-60.1-176.2000111.5L3 L212 I216 E217 T244 V249 V252L3-L247 HydrophobicContact CD2-CD1 4.09Å; L212-L247 HydrophobicContact CD2-CD1 4.06Å; L212-L247 HydrophobicContact CG-CD1 4.35Å; L212-L247 HydrophobicContact CG-CD2 4.29Å; I216-L247 HydrophobicContact CD1-CD1 4.03Å; I216-L247 HydrophobicContact CD1-CD2 3.96Å; I216-L247 HydrophobicContact CG1-CD2 4.01Å; E217-L247 HydrophobicContact CG-CD2 3.99Å; T244-L247 HydrophobicContact CG2-CD1 4.1Å; T244-L247 WeakPolarHBondContact O-CB 3.27Å; T244-L247 PolarHBondContact O-N 3Å; L247-V249 PolarHBondContact O-N 3.01Å; L247-V252 HydrophobicContact CB-CG2 3.83Å; L247-V252 HydrophobicContact CD1-CG2 4.32Å
248R98.8Very high98.7Very high155 Ų15565.5 Ų65.559%0.58532%0.318SS*.  trans-63.5139.1172.1-67.9168.1-146.6-158.51.7109.8E217 K250 T251 V252E217-R248 WeakPolarHBondContact OE1-CB 3.26Å; E217-R248 PolarHBondContact OE1-N 2.66Å; E217-R248 WeakPolarHBondContact OE2-CD 3.35Å; E217-R248 VanDerWaalsContact OE2-CG 3.24Å; E217-R248 WeakPolarHBondContact OE2-CG 3.44Å; E217-R248 IonicContact OE2-CZ 3.35Å; E217-R248 IonicContact OE2-NE 2.69Å; E217-R248 PolarHBondContact OE2-NE 2.88Å; R248-K250 PolarHBondContact O-N 3.28Å; R248-T251 WeakPolarHBondContact O-CA 3.4Å; R248-T251 VanDerWaalsContact O-CB 3.31Å; R248-T251 WeakPolarHBondContact O-CB 3.3Å; R248-T251 PolarHBondContact O-N 2.98Å; R248-V252 PolarHBondContact O-N 2.89Å; R248-V252 VanDerWaalsContact O-N 3.14Å
249V98.6Very high98.6Very high100 Ų10066.7 Ų66.761%0.60632%0.324SS*.Hα-helixtrans-49.8-37.1173.1175.50000112.1L247 K253L247-V249 PolarHBondContact O-N 3.01Å; V249-K253 HydrophobicContact CG1-CD 3.87Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.29Å; V249-K253 WeakPolarHBondContact O-CB 3.28Å; V249-K253 VanDerWaalsContact O-CG 3.27Å; V249-K253 WeakPolarHBondContact O-CG 3.3Å; V249-K253 PolarHBondContact O-N 3.36Å
250K98.7Very high98.6Very high175 Ų17572.7 Ų72.776%0.76135%0.352SS*.Hα-helixtrans-62.9-42.9177.6-172.3-177.5-66.7-178.70112.2R248 Y254R248-K250 PolarHBondContact O-N 3.28Å; K250-Y254 WeakPolarHBondContact O-CB 3.48Å; K250-Y254 PolarHBondContact O-N 2.91Å; K250-Y254 VanDerWaalsContact O-N 3.07Å
251T98.8Very high98.5Very high29 Ų2975.4 Ų75.418%0.17837%0.369CS..Hα-helixtrans-62.2-52177.7-53.10000110.1E217 R248 K253 Y254 F255E217-T251 VanDerWaalsContact OE1-CB 3.23Å; E217-T251 WeakPolarHBondContact OE1-CB 3.28Å; E217-T251 PolarHBondContact OE1-OG1 2.82Å; R248-T251 WeakPolarHBondContact O-CA 3.4Å; R248-T251 VanDerWaalsContact O-CB 3.31Å; R248-T251 WeakPolarHBondContact O-CB 3.3Å; R248-T251 PolarHBondContact O-N 2.98Å; T251-K253 PolarHBondContact O-N 3.14Å; T251-Y254 PolarHBondContact O-N 2.83Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.11Å; T251-F255 WeakPolarHBondContact O-CD2 3.21Å; T251-F255 PolarHBondContact O-N 2.84Å
252V98.8Very high98.4Very high21 Ų2172.9 Ų72.913%0.12736%0.357CS..Hα-helixtrans-60-47.9179.1176.70000111.2I5 L247 R248 Y254 F255 K256I5-V252 HydrophobicContact CD1-CB 4.45Å; I5-V252 HydrophobicContact CD1-CG1 3.99Å; L247-V252 HydrophobicContact CB-CG2 3.83Å; L247-V252 HydrophobicContact CD1-CG2 4.32Å; R248-V252 PolarHBondContact O-N 2.89Å; R248-V252 VanDerWaalsContact O-N 3.14Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 3.06Å; V252-F255 PolarHBondContact O-N 2.96Å; V252-K256 HydrophobicContact CG1-CD 4.04Å; V252-K256 HydrophobicContact CG1-CG 4.18Å; V252-K256 WeakPolarHBondContact O-CB 3.47Å; V252-K256 WeakPolarHBondContact O-CG 3.42Å; V252-K256 PolarHBondContact O-N 2.84Å
253K98.6Very high98.4Very high150 Ų15071.7 Ų71.765%0.65235%0.351SS*.Hα-helixtrans-58.2-43178.8-80-177.2176.8-177.60112.6V249 T251 G257V249-K253 HydrophobicContact CG1-CD 3.87Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.29Å; V249-K253 WeakPolarHBondContact O-CB 3.28Å; V249-K253 VanDerWaalsContact O-CG 3.27Å; V249-K253 WeakPolarHBondContact O-CG 3.3Å; V249-K253 PolarHBondContact O-N 3.36Å; T251-K253 PolarHBondContact O-N 3.14Å; K253-G257 PolarHBondContact O-N 2.78Å
254Y98.8Very high98.3Very high144 Ų14480.4 Ų80.457%0.56538%0.383SS*.Hα-helixtrans-60.3-51.5178.6177.3-101.3000111.2K250 T251 V252 G257 L258K250-Y254 WeakPolarHBondContact O-CB 3.48Å; K250-Y254 PolarHBondContact O-N 2.91Å; K250-Y254 VanDerWaalsContact O-N 3.07Å; T251-Y254 PolarHBondContact O-N 2.83Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 3.06Å; Y254-G257 PolarHBondContact O-N 3.33Å; Y254-L258 HydrophobicContact CD1-CD1 4.12Å; Y254-L258 HydrophobicContact CE1-CD1 3.51Å; Y254-L258 HydrophobicContact CE1-CG 4.49Å; Y254-L258 PolarHBondContact O-N 2.82Å
255F98.7Very high98.3Very high20 Ų2081.7 Ų81.79%0.08839%0.39CS..Hα-helixtrans-73.2-34-176.7-74.5-69000113.8M1 L3 I5 T251 V252 G257 L258 M259M1-F255 HydrophobicContact CE-CE2 3.63Å; M1-F255 HydrophobicContact CE-CZ 3.63Å; M1-F255 HydrophobicContact CG-CZ 4.29Å; L3-F255 HydrophobicContact CB-CB 4.09Å; L3-F255 HydrophobicContact CB-CD1 3.71Å; L3-F255 HydrophobicContact CB-CD2 3.77Å; L3-F255 HydrophobicContact CB-CE1 4Å; L3-F255 HydrophobicContact CB-CE2 4.07Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.17Å; L3-F255 HydrophobicContact CD2-CB 4.28Å; L3-F255 HydrophobicContact CD2-CD2 3.71Å; L3-F255 HydrophobicContact CD2-CE2 4.3Å; L3-F255 HydrophobicContact CD2-CG 4.12Å; L3-F255 HydrophobicContact CG-CB 4.38Å; L3-F255 HydrophobicContact CG-CD2 4.31Å; L3-F255 HydrophobicContact CG-CG 4.28Å; I5-F255 HydrophobicContact CD1-CB 4.18Å; T251-F255 HydrophobicContact CG2-CD2 4.09Å; T251-F255 HydrophobicContact CG2-CE2 4.11Å; T251-F255 WeakPolarHBondContact O-CD2 3.21Å; T251-F255 PolarHBondContact O-N 2.84Å; V252-F255 PolarHBondContact O-N 2.96Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.48Å; F255-L258 HydrophobicContact CD1-CD1 4.15Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 PolarHBondContact O-N 2.83Å; F255-M259 PolarHBondContact O-N 3.36Å
256K98.3Very high98.2Very high83 Ų8376.8 Ų76.836%0.36137%0.365SS..Hα-helixtrans-59.3-40.2168-74.2-165.5-177.3-174.20111.4I5 E241 V252 L258 M259I5-K256 HydrophobicContact CB-CG 4.47Å; I5-K256 HydrophobicContact CD1-CG 4.15Å; E241-K256 WeakPolarHBondContact OE1-CE 3.41Å; E241-K256 IonicContact OE1-NZ 3.63Å; E241-K256 PolarHBondContact OE1-NZ 3.19Å; E241-K256 WeakPolarHBondContact OE2-CE 3.16Å; E241-K256 IonicContact OE2-NZ 2.93Å; E241-K256 PolarHBondContact OE2-NZ 3.28Å; V252-K256 HydrophobicContact CG1-CD 4.04Å; V252-K256 HydrophobicContact CG1-CG 4.18Å; V252-K256 WeakPolarHBondContact O-CB 3.47Å; V252-K256 WeakPolarHBondContact O-CG 3.42Å; V252-K256 PolarHBondContact O-N 2.84Å; K256-L258 PolarHBondContact O-N 3.42Å; K256-M259 WeakPolarHBondContact O-CB 3.22Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.12Å
257G98.3Very high98.1Very high46 Ų4677 Ų7747%0.47437%0.369SS..Hα-helixtrans-59.6-25.5173.800000113.9K253 Y254 F255 H260K253-G257 PolarHBondContact O-N 2.78Å; Y254-G257 PolarHBondContact O-N 3.33Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.48Å; G257-H260 PolarHBondContact O-CE1 2.91Å; G257-H260 PolarHBondContact O-ND1 3.07Å
258L98.3Very high98Very high44 Ų4480.5 Ų80.523%0.2339%0.393CS..THydrogen-bonded Turntrans-91.9-3.5178.6-63.4178.7000114.2Y254 F255 K256 H260 V261 H262Y254-L258 HydrophobicContact CD1-CD1 4.12Å; Y254-L258 HydrophobicContact CE1-CD1 3.51Å; Y254-L258 HydrophobicContact CE1-CG 4.49Å; Y254-L258 PolarHBondContact O-N 2.82Å; F255-L258 HydrophobicContact CD1-CD1 4.15Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 PolarHBondContact O-N 2.83Å; K256-L258 PolarHBondContact O-N 3.42Å; L258-H260 VanDerWaalsContact C-N 3.25Å; L258-H260 PolarHBondContact O-N 2.69Å; L258-V261 WeakPolarHBondContact O-CA 3.45Å; L258-V261 WeakPolarHBondContact O-CB 3.27Å; L258-V261 PolarHBondContact O-N 3.36Å; L258-H262 PolarHBondContact O-N 3.45Å
259M98.1Very high97.7Very high26 Ų2675.5 Ų75.513%0.12838%0.379CS..Hα-helixtrans-59.6-34.1-175.3-76.6-61.6-66.100113.2V4 I5 L6 F255 K256 V261 H262 N263V4-M259 HydrophobicContact CB-SD 4.38Å; V4-M259 HydrophobicContact CG1-CE 3.65Å; V4-M259 HydrophobicContact CG1-SD 3.78Å; I5-M259 WeakPolarHBondContact O-CE 3.34Å; L6-M259 HydrophobicContact CD1-CE 3.73Å; F255-M259 PolarHBondContact O-N 3.36Å; K256-M259 WeakPolarHBondContact O-CB 3.22Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.12Å; M259-V261 PolarHBondContact O-N 2.88Å; M259-H262 PolarHBondContact O-N 3.39Å; M259-N263 VanDerWaalsContact O-CB 3.25Å; M259-N263 WeakPolarHBondContact O-CB 3.34Å; M259-N263 PolarHBondContact O-N 3.12Å; M259-N263 PolarHBondContact O-ND2 3.25Å
260H96.8Very high97.6Very high126 Ų12673 Ų7358%0.58336%0.362SS*.Hα-helixtrans-63-28.3174.171.6-80000113.4G257 L258G257-H260 PolarHBondContact O-CE1 2.91Å; G257-H260 PolarHBondContact O-ND1 3.07Å; L258-H260 VanDerWaalsContact C-N 3.25Å; L258-H260 PolarHBondContact O-N 2.69Å
261V97.6Very high97.5Very high66 Ų6665 Ų6540%0.433%0.329SS..Hα-helixtrans-81.3-46.9173.6-1770000110.1L258 M259 N263 R264L258-V261 WeakPolarHBondContact O-CA 3.45Å; L258-V261 WeakPolarHBondContact O-CB 3.27Å; L258-V261 PolarHBondContact O-N 3.36Å; M259-V261 PolarHBondContact O-N 2.88Å; V261-N263 VanDerWaalsContact C-N 3.31Å; V261-N263 PolarHBondContact O-N 2.97Å; V261-R264 WeakPolarHBondContact O-CB 3.12Å; V261-R264 PolarHBondContact O-N 3.4Å
262H97.1Very high97.4Very high13 Ų1366.6 Ų66.66%0.0634%0.335CS..Hα-helixtrans-66-32.6-178.2-64.6162.2000112.6L3 V4 L258 M259 R264 L265L3-H262 PolarHBondContact O-ND1 3.37Å; V4-H262 HydrophobicContact CG2-CB 4.34Å; L258-H262 PolarHBondContact O-N 3.45Å; M259-H262 PolarHBondContact O-N 3.39Å; H262-R264 PolarHBondContact O-N 3.46Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 WeakPolarHBondContact O-CD1 3.46Å; H262-L265 WeakPolarHBondContact O-CG 3.43Å; H262-L265 PolarHBondContact O-N 2.98Å
263N97.8Very high97.1Very high61 Ų6171.7 Ų71.733%0.32636%0.356SS..G310 helixtrans-66.1-21.2176.9-74.9-14.5000113W15 M259 V261 L265 V266 D267W15-N263 PolarHBondContact NE1-OD1 3.23Å; M259-N263 VanDerWaalsContact O-CB 3.25Å; M259-N263 WeakPolarHBondContact O-CB 3.34Å; M259-N263 PolarHBondContact O-N 3.12Å; M259-N263 PolarHBondContact O-ND2 3.25Å; V261-N263 VanDerWaalsContact C-N 3.31Å; V261-N263 PolarHBondContact O-N 2.97Å; N263-L265 PolarHBondContact O-N 3.02Å; N263-V266 CarbonylContact O-C 3.53Å; N263-V266 WeakPolarHBondContact O-CG2 3.32Å; N263-V266 PolarHBondContact O-N 3.45Å; N263-D267 WeakPolarHBondContact O-CB 3.5Å; N263-D267 PolarHBondContact O-N 3.18Å
264R97.6Very high96.4Very high183 Ų18370.7 Ų70.769%0.69136%0.357SS*.G310 helixtrans-63.7-12.6171.3-58.6-177.4-177-177.4-1.2113.8V261 H262 V266 D267V261-R264 WeakPolarHBondContact O-CB 3.12Å; V261-R264 PolarHBondContact O-N 3.4Å; H262-R264 PolarHBondContact O-N 3.46Å; R264-V266 VanDerWaalsContact C-N 3.32Å; R264-D267 CarbonylContact C-O 3.46Å; R264-D267 WeakPolarHBondContact CA-O 3.06Å
265L97.8Very high94.9Very high38 Ų3870.8 Ų70.820%0.19936%0.363CS..G310 helixtrans-76.5-24.6174-59.3172000112.2W15 Y19 N22 I236 H262 N263W15-L265 HydrophobicContact CH2-CD1 4.16Å; W15-L265 HydrophobicContact CZ2-CB 4.31Å; W15-L265 HydrophobicContact CZ2-CD1 4.17Å; Y19-L265 HydrophobicContact CD2-CB 3.88Å; Y19-L265 HydrophobicContact CE2-CB 3.8Å; Y19-L265 HydrophobicContact CE2-CD1 4.12Å; Y19-L265 HydrophobicContact CE2-CD2 4.35Å; Y19-L265 HydrophobicContact CE2-CG 4.31Å; N22-L265 PolarHBondContact ND2-O 2.92Å; I236-L265 HydrophobicContact CD1-CD1 4.34Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 WeakPolarHBondContact O-CD1 3.46Å; H262-L265 WeakPolarHBondContact O-CG 3.43Å; H262-L265 PolarHBondContact O-N 2.98Å; N263-L265 PolarHBondContact O-N 3.02Å
266V98.1Very high94.7Very high10 Ų1073.3 Ų73.36%0.06138%0.377CS..THydrogen-bonded Turntrans-121-3.5-176.1-61.90000112.8W15 K18 Y19 N263 R264 P268 V269W15-V266 HydrophobicContact CD2-CG1 3.99Å; W15-V266 HydrophobicContact CE3-CG1 4.48Å; W15-V266 HydrophobicContact CG-CG1 4.34Å; W15-V266 HydrophobicContact CG-CG2 4.42Å; W15-V266 HydrophobicContact CH2-CG1 4.45Å; W15-V266 HydrophobicContact CZ2-CG1 3.99Å; K18-V266 HydrophobicContact CB-CB 3.8Å; K18-V266 HydrophobicContact CB-CG1 3.85Å; K18-V266 HydrophobicContact CD-CB 4.42Å; Y19-V266 HydrophobicContact CD2-CG1 4.3Å; N263-V266 CarbonylContact O-C 3.53Å; N263-V266 WeakPolarHBondContact O-CG2 3.32Å; N263-V266 PolarHBondContact O-N 3.45Å; R264-V266 VanDerWaalsContact C-N 3.32Å; V266-P268 CarbonylContact O-C 3.57Å; V266-V269 WeakPolarHBondContact O-CG2 3.39Å; V266-V269 PolarHBondContact O-N 2.96Å
267D96.5Very high94.6Very high113 Ų11372.8 Ų72.860%0.60438%0.378SS*.SBendtrans-133.6115.6177.1-17315.6000109.6N263 R264N263-D267 WeakPolarHBondContact O-CB 3.5Å; N263-D267 PolarHBondContact O-N 3.18Å; R264-D267 CarbonylContact C-O 3.46Å; R264-D267 WeakPolarHBondContact CA-O 3.06Å
268P95.9Very high94.4Very high88 Ų8874.3 Ų74.357%0.57137%0.372SS*.SBendcis-68.5148.84.329.3-35.5000113.4N22 V266 L270N22-P268 PolarHBondContact ND2-O 3.38Å; V266-P268 CarbonylContact O-C 3.57Å; P268-L270 HydrophobicContact CG-CD2 4.39Å; P268-L270 PolarHBondContact O-N 3.11Å
269V93.9Very high94.1Very high50 Ų5076.1 Ų76.130%0.30338%0.381SS..  trans-79.2115.3168.4-175.40000107.8K18 R21 V266K18-V269 HydrophobicContact CD-CG2 3.86Å; K18-V269 HydrophobicContact CG-CG1 4.46Å; K18-V269 HydrophobicContact CG-CG2 4.15Å; R21-V269 VanDerWaalsContact CZ-CG1 3.47Å; V266-V269 WeakPolarHBondContact O-CG2 3.39Å; V266-V269 PolarHBondContact O-N 2.96Å
270L95.9Very high93.9Very high46 Ų4679.2 Ų79.224%0.24140%0.396CS..  trans-80.2144.8-174.9-56.7177.6000111.3R21 N22 I25 Q26 P268R21-L270 PolarHBondContact NE-O 3.22Å; R21-L270 PolarHBondContact NH2-O 3.4Å; N22-L270 HydrophobicContact CB-CD1 4.36Å; N22-L270 WeakPolarHBondContact OD1-CB 3.38Å; N22-L270 WeakPolarHBondContact OD1-CG 3.39Å; N22-L270 PolarHBondContact OD1-N 2.49Å; I25-L270 HydrophobicContact CB-CB 4.3Å; I25-L270 HydrophobicContact CD1-CB 4.22Å; I25-L270 WeakPolarHBondContact CD1-O 3.41Å; I25-L270 HydrophobicContact CG2-CB 3.78Å; I25-L270 HydrophobicContact CG2-CD1 4.2Å; Q26-L270 HydrophobicContact CG-CD1 3.41Å; Q26-L270 VanDerWaalsContact CG-CD1 3.41Å; P268-L270 HydrophobicContact CG-CD2 4.39Å; P268-L270 PolarHBondContact O-N 3.11Å
271S96.7Very high93.7Very high8 Ų876.1 Ų76.16%0.05638%0.384CS..  trans-117.1148.9170.2-171.10000111.4D60 K273 D274D60-S271 WeakPolarHBondContact CA-OG 3.49Å; D60-S271 WeakPolarHBondContact CB-OG 3.37Å; D60-S271 PolarHBondContact OD1-OG 3.48Å; S271-K273 PolarHBondContact O-N 2.83Å; S271-K273 PolarHBondContact OG-N 3.4Å; S271-D274 VanDerWaalsContact CB-OD2 3.27Å; S271-D274 WeakPolarHBondContact CB-OD2 3.3Å; S271-D274 PolarHBondContact N-OD2 2.9Å; S271-D274 PolarHBondContact O-N 3.48Å
272I95.2Very high93.4Very high62 Ų6276.8 Ų76.832%0.31838%0.383SS..G310 helixtrans-64.7-17.7167.565.3-178.9000112.3I25 G59 D60 D274I25-I272 HydrophobicContact CD1-CG2 4.17Å; I25-I272 HydrophobicContact CG1-CG2 3.88Å; G59-I272 WeakPolarHBondContact O-CD1 3.38Å; G59-I272 VanDerWaalsContact O-CG1 3.27Å; G59-I272 WeakPolarHBondContact O-CG1 3.21Å; D60-I272 PolarHBondContact O-N 3.14Å; D60-I272 VanDerWaalsContact O-N 3.08Å; I272-D274 PolarHBondContact O-N 2.63Å
273K93.1Very high93.1Very high128 Ų12881.7 Ų81.756%0.55741%0.408SS*.G310 helixtrans-71.4-20.2175.2-63.1176.2-174.7144.40113.2N58 G59 D60 S271N58-K273 WeakPolarHBondContact O-CE 3.2Å; N58-K273 PolarHBondContact O-NZ 3.37Å; G59-K273 WeakPolarHBondContact O-CE 3.45Å; D60-K273 WeakPolarHBondContact OD1-CE 3.37Å; D60-K273 IonicContact OD1-NZ 3.99Å; D60-K273 PolarHBondContact OD1-NZ 3.13Å; S271-K273 PolarHBondContact O-N 2.83Å; S271-K273 PolarHBondContact OG-N 3.4Å
274D83.5Confident92.7Very high129 Ų12983.4 Ų83.469%0.6941%0.414SS*.G310 helixtrans-93.72.3-178.2-52.1-42.7000112.3S271 I272S271-D274 VanDerWaalsContact CB-OD2 3.27Å; S271-D274 WeakPolarHBondContact CB-OD2 3.3Å; S271-D274 PolarHBondContact N-OD2 2.9Å; S271-D274 PolarHBondContact O-N 3.48Å; I272-D274 PolarHBondContact O-N 2.63Å
275Q68.8Low92.3Very high146 Ų14674.4 Ų74.468%0.68239%0.389SS*.  trans-109.60179.8-64.5-163.1-300111.6I25I25-Q275 PolarHBondContact O-NE2 3.32Å

Retrieved 275 of 275 residues in 1467.6 ms (Link to these results)

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