A0A087XD08_POEFO Loading...

Glucosamine-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A087XD08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M97.4Very high98.6Very high95 Ų9558.8 Ų58.847%0.46828%0.281SS..  0158.5072.3179.4-177.700111I216 T235 F237 F255M1-I216 HydrophobicContact CE-CB 4.03Å; M1-I216 HydrophobicContact CE-CD1 4.01Å; M1-I216 HydrophobicContact CE-CG1 4.41Å; M1-I216 HydrophobicContact SD-CB 3.98Å; M1-I216 HydrophobicContact SD-CG2 3.94Å; M1-T235 CarbonylContact C-O 3.56Å; M1-T235 WeakPolarHBondContact CA-O 3.43Å; M1-F237 HydrophobicContact CB-CD2 4.08Å; M1-F237 HydrophobicContact CB-CE2 4.03Å; M1-F237 HydrophobicContact CG-CD2 4.5Å; M1-F237 HydrophobicContact SD-CD2 3.9Å; M1-F237 HydrophobicContact SD-CE2 3.9Å; M1-F255 HydrophobicContact CE-CE2 3.63Å; M1-F255 HydrophobicContact CE-CZ 3.64Å; M1-F255 HydrophobicContact CG-CZ 4.3Å
2R98.7Very high98.6Very high97 Ų9753.9 Ų53.937%0.36626%0.258SS..EExtended strand (participates in β ladder)trans-107.7142.3157.8-62.7176.5179.8158.9-2.2108.1T235 I236 F237 L265R2-T235 PolarHBondContact N-O 3.13Å; R2-I236 HydrophobicContact CB-CB 4.5Å; R2-I236 HydrophobicContact CB-CG1 4.25Å; R2-I236 HydrophobicContact CB-CG2 4.22Å; R2-I236 WeakPolarHBondContact O-CA 3.4Å; R2-F237 PolarHBondContact O-N 3.28Å; R2-L265 VanDerWaalsContact NH1-CD1 3.25Å
3L98.9Very high98.7Very high0 Ų049.8 Ų49.80%024%0.238CC..EExtended strand (participates in β ladder)trans-121.5121.7169.9177.768.2000107.6I5 I216 F237 L247 F255 H262L3-I5 HydrophobicContact CD2-CD1 4Å; 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 4.04Å; L3-F237 CarbonylContact C-O 3.45Å; L3-F237 WeakPolarHBondContact CA-O 3.36Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; L3-L247 HydrophobicContact CD2-CD1 4.1Å; L3-F255 HydrophobicContact CB-CB 4.11Å; L3-F255 HydrophobicContact CB-CD1 3.7Å; L3-F255 HydrophobicContact CB-CD2 3.77Å; L3-F255 HydrophobicContact CB-CE1 3.98Å; L3-F255 HydrophobicContact CB-CE2 4.04Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.14Å; L3-F255 HydrophobicContact CD2-CB 4.27Å; L3-F255 HydrophobicContact CD2-CD2 3.71Å; L3-F255 HydrophobicContact CD2-CE2 4.29Å; L3-F255 HydrophobicContact CD2-CG 4.11Å; L3-F255 HydrophobicContact CG-CB 4.39Å; L3-F255 HydrophobicContact CG-CD2 4.3Å; L3-F255 HydrophobicContact CG-CG 4.27Å; L3-H262 PolarHBondContact O-ND1 3.03Å
4V98.9Very high98.7Very high0 Ų050.2 Ų50.20%024%0.24CC..EExtended strand (participates in β ladder)trans-109121.5180-173.40000106.5L6 W15 I236 F237 V238 C239 M259 H262V4-L6 HydrophobicContact CB-CD2 4.27Å; V4-L6 HydrophobicContact CG1-CD1 4.21Å; V4-L6 HydrophobicContact CG1-CD2 3.52Å; V4-W15 HydrophobicContact CB-CZ2 4.47Å; V4-W15 HydrophobicContact CG1-CD2 3.8Å; V4-W15 HydrophobicContact CG1-CE3 4.37Å; V4-W15 HydrophobicContact CG1-CG 4.1Å; V4-W15 HydrophobicContact CG1-CZ2 4.01Å; V4-W15 HydrophobicContact CG2-CH2 3.75Å; V4-W15 HydrophobicContact CG2-CZ2 3.7Å; V4-W15 HydrophobicContact CG2-CZ3 4.19Å; V4-I236 HydrophobicContact CG2-CG2 3.92Å; V4-F237 PolarHBondContact N-O 3.42Å; V4-V238 HydrophobicContact CB-CG2 4.45Å; V4-C239 PolarHBondContact O-N 3.41Å; V4-C239 PolarHBondContact O-SG 3.29Å; V4-C239 VanDerWaalsContact O-SG 3.41Å; V4-M259 HydrophobicContact CB-SD 4.35Å; V4-M259 HydrophobicContact CG1-CE 3.65Å; V4-M259 HydrophobicContact CG1-SD 3.74Å; V4-H262 HydrophobicContact CG2-CB 4.35Å
5I98.8Very high98.7Very high8 Ų847.6 Ų47.64%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-118.1117.5-174.4-51.7174.8000107.5L3 C239 E241 T244 V252 F255 K256 M259L3-I5 HydrophobicContact CD2-CD1 4Å; 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-E241 WeakPolarHBondContact CG2-OE1 3.35Å; I5-T244 HydrophobicContact CD1-CG2 4.2Å; I5-T244 HydrophobicContact CG1-CG2 4.27Å; I5-T244 HydrophobicContact CG2-CG2 3.93Å; I5-V252 HydrophobicContact CD1-CB 4.43Å; I5-V252 HydrophobicContact CD1-CG1 3.98Å; I5-F255 HydrophobicContact CD1-CB 4.19Å; I5-K256 HydrophobicContact CB-CG 4.49Å; I5-K256 HydrophobicContact CD1-CG 4.19Å; I5-M259 WeakPolarHBondContact O-CE 3.46Å
6L98.8Very high98.7Very high19 Ų1944.6 Ų44.610%0.09921%0.212CC..EExtended strand (participates in β ladder)trans-114.3158.4-177.7-62.2-48.2000109.5V4 D8 L11 A12 W15 V238 C239 D240 E241 M259V4-L6 HydrophobicContact CB-CD2 4.27Å; V4-L6 HydrophobicContact CG1-CD1 4.21Å; V4-L6 HydrophobicContact CG1-CD2 3.52Å; L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 2.96Å; L6-L11 HydrophobicContact CB-CB 3.87Å; L6-L11 HydrophobicContact CG-CB 4.3Å; L6-A12 HydrophobicContact CB-CB 4.28Å; L6-A12 HydrophobicContact CD2-CB 4.22Å; L6-A12 HydrophobicContact CG-CB 4.41Å; L6-W15 HydrophobicContact CD1-CB 4.47Å; L6-W15 HydrophobicContact CD1-CG 4.45Å; L6-W15 HydrophobicContact CD2-CB 4.31Å; L6-W15 HydrophobicContact CD2-CG 4.43Å; L6-W15 HydrophobicContact CG-CB 4.32Å; L6-V238 HydrophobicContact CD2-CG1 3.78Å; L6-C239 WeakPolarHBondContact CD2-O 3.31Å; L6-C239 PolarHBondContact N-O 2.73Å; L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-CA 3.22Å; L6-D240 WeakPolarHBondContact O-CA 3.41Å; L6-E241 PolarHBondContact O-N 2.98Å; L6-M259 HydrophobicContact CD1-CE 3.74Å
7D98.5Very high98.7Very high121 Ų12142 Ų4265%0.64720%0.2SC*.SBendtrans-66.6-34.1-173.6-59.3-31.9000112.5L11D7-L11 HydrophobicContact CB-CD1 3.94Å
8D98.6Very high98.7Very high73 Ų7342.3 Ų42.339%0.3920%0.2SC..SBendtrans-149.6176.1-175.66644.4000113.9L6 E10 L11 A12L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 2.96Å; D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 2.85Å; D8-E10 WeakPolarHBondContact OD1-CA 3.24Å; D8-E10 WeakPolarHBondContact OD1-CB 3.17Å; D8-E10 PolarHBondContact OD1-N 2.81Å; D8-L11 PolarHBondContact O-N 3.31Å; D8-L11 PolarHBondContact OD1-N 3.37Å; D8-A12 WeakPolarHBondContact O-CB 3.19Å; D8-A12 PolarHBondContact O-N 3.24Å
9Y98.7Very high98.7Very high62 Ų6240.5 Ų40.524%0.24319%0.191CC..Hα-helixtrans-57.5-39.1178.4165.7-98.5000113.7S13 S43 G47 T204Y9-S13 VanDerWaalsContact O-CB 3.23Å; Y9-S13 WeakPolarHBondContact O-CB 3.38Å; Y9-S13 PolarHBondContact O-N 2.93Å; Y9-S13 PolarHBondContact O-OG 3.33Å; Y9-S43 PolarHBondContact OH-O 2.72Å; Y9-G47 WeakPolarHBondContact OH-CA 3.48Å; Y9-G47 PolarHBondContact OH-N 3.38Å; Y9-T204 HydrophobicContact CD2-CG2 3.88Å
10E98.8Very high98.7Very high108 Ų10838.6 Ų38.651%0.50518%0.182SC..Hα-helixtrans-70.9-42.7-176.7-65.4-59.7153.600110.2D8 S13 E14D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 2.85Å; D8-E10 WeakPolarHBondContact OD1-CA 3.24Å; D8-E10 WeakPolarHBondContact OD1-CB 3.17Å; D8-E10 PolarHBondContact OD1-N 2.81Å; E10-S13 WeakPolarHBondContact O-CB 3.31Å; E10-S13 PolarHBondContact O-N 2.83Å; E10-E14 WeakPolarHBondContact O-CB 3.38Å; E10-E14 PolarHBondContact O-N 3.02Å
11L98.8Very high98.7Very high64 Ų6437.5 Ų37.534%0.33518%0.177SC..Hα-helixtrans-66.8-40.5175.5-68.5175.1000112.1L6 D7 D8 S13 E14 W15L6-L11 HydrophobicContact CB-CB 3.87Å; L6-L11 HydrophobicContact CG-CB 4.3Å; D7-L11 HydrophobicContact CB-CD1 3.94Å; D8-L11 PolarHBondContact O-N 3.31Å; D8-L11 PolarHBondContact OD1-N 3.37Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-E14 PolarHBondContact O-N 3.16Å; L11-W15 VanDerWaalsContact O-CB 3.29Å; L11-W15 WeakPolarHBondContact O-CB 3.39Å; L11-W15 PolarHBondContact O-N 3.46Å
12A98.9Very high98.8Very high0 Ų033.2 Ų33.20%016%0.155CC..Hα-helixtrans-62.5-42.817400000111.6L6 D8 A16 L202 T204 V238L6-A12 HydrophobicContact CB-CB 4.28Å; L6-A12 HydrophobicContact CD2-CB 4.22Å; L6-A12 HydrophobicContact CG-CB 4.41Å; D8-A12 WeakPolarHBondContact O-CB 3.19Å; D8-A12 PolarHBondContact O-N 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.46Å; A12-A16 VanDerWaalsContact O-N 3.08Å; A12-L202 HydrophobicContact CB-CD1 4.2Å; A12-T204 HydrophobicContact CB-CG2 3.97Å; A12-V238 HydrophobicContact CB-CG1 4.32Å
13S98.9Very high98.8Very high0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-63.2-44.8176-66.90000112.3Y9 E10 L11 A17Y9-S13 VanDerWaalsContact O-CB 3.23Å; Y9-S13 WeakPolarHBondContact O-CB 3.38Å; Y9-S13 PolarHBondContact O-N 2.93Å; Y9-S13 PolarHBondContact O-OG 3.33Å; E10-S13 WeakPolarHBondContact O-CB 3.31Å; E10-S13 PolarHBondContact O-N 2.83Å; L11-S13 VanDerWaalsContact C-N 3.34Å; S13-A17 WeakPolarHBondContact O-CB 3.21Å; S13-A17 PolarHBondContact O-N 2.71Å
14E98.9Very high98.8Very high56 Ų5630.8 Ų30.826%0.26215%0.147SC..Hα-helixtrans-66.7-43.5178.3-172-173.9-169.700111.7E10 L11 A16 A17 K18 K51E10-E14 WeakPolarHBondContact O-CB 3.38Å; E10-E14 PolarHBondContact O-N 3.02Å; L11-E14 PolarHBondContact O-N 3.16Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.98Å; E14-A17 PolarHBondContact O-N 2.99Å; E14-K18 HydrophobicContact CG-CD 4.18Å; E14-K18 HydrophobicContact CG-CG 4.44Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.98Å; E14-K18 WeakPolarHBondContact OE1-CE 3.41Å; E14-K18 IonicContact OE1-NZ 3.53Å; E14-K18 PolarHBondContact OE1-NZ 2.65Å; E14-K18 IonicContact OE2-NZ 3.44Å; E14-K51 HydrophobicContact CB-CG 4.45Å
15W98.9Very high98.8Very high11 Ų1131.1 Ų31.14%0.04215%0.148CC..Hα-helixtrans-58.8-47.9177-167.6102.9000110.8V4 L6 L11 A17 K18 Y19 M200 I236 V238 N263 L265 V266V4-W15 HydrophobicContact CB-CZ2 4.47Å; V4-W15 HydrophobicContact CG1-CD2 3.8Å; V4-W15 HydrophobicContact CG1-CE3 4.37Å; V4-W15 HydrophobicContact CG1-CG 4.1Å; V4-W15 HydrophobicContact CG1-CZ2 4.01Å; V4-W15 HydrophobicContact CG2-CH2 3.75Å; V4-W15 HydrophobicContact CG2-CZ2 3.7Å; V4-W15 HydrophobicContact CG2-CZ3 4.19Å; L6-W15 HydrophobicContact CD1-CB 4.47Å; L6-W15 HydrophobicContact CD1-CG 4.45Å; L6-W15 HydrophobicContact CD2-CB 4.31Å; L6-W15 HydrophobicContact CD2-CG 4.43Å; L6-W15 HydrophobicContact CG-CB 4.32Å; L11-W15 VanDerWaalsContact O-CB 3.29Å; L11-W15 WeakPolarHBondContact O-CB 3.39Å; L11-W15 PolarHBondContact O-N 3.46Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 3.37Å; W15-K18 PolarHBondContact O-N 2.92Å; W15-Y19 AromaticContact CH2-CD2 3.92Å; W15-Y19 HydrophobicContact CH2-CD2 3.92Å; W15-Y19 HydrophobicContact CH2-CG 4.07Å; W15-Y19 HydrophobicContact CZ3-CD1 4.48Å; W15-Y19 HydrophobicContact CZ3-CD2 4.23Å; W15-Y19 AromaticContact CZ3-CG 3.89Å; W15-Y19 HydrophobicContact CZ3-CG 3.89Å; W15-Y19 WeakPolarHBondContact O-CB 3.38Å; W15-Y19 PolarHBondContact O-N 3.13Å; W15-M200 HydrophobicContact CZ3-SD 4.34Å; W15-I236 HydrophobicContact CH2-CG2 4.14Å; W15-I236 HydrophobicContact CZ3-CG2 4.19Å; W15-V238 HydrophobicContact CB-CG1 4.47Å; W15-V238 HydrophobicContact CD2-CG1 4.46Å; W15-V238 HydrophobicContact CE3-CB 4.38Å; W15-V238 HydrophobicContact CE3-CG1 3.91Å; W15-V238 HydrophobicContact CE3-CG2 3.49Å; W15-V238 VanDerWaalsContact CE3-CG2 3.49Å; W15-V238 HydrophobicContact CZ3-CG2 3.44Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.44Å; W15-N263 PolarHBondContact NE1-OD1 2.88Å; W15-L265 HydrophobicContact CH2-CD1 4.19Å; W15-L265 HydrophobicContact CZ2-CB 4.34Å; W15-L265 HydrophobicContact CZ2-CD1 4.22Å; W15-V266 HydrophobicContact CD2-CG1 4.04Å; W15-V266 HydrophobicContact CG-CG1 4.41Å; W15-V266 HydrophobicContact CG-CG2 4.41Å; W15-V266 HydrophobicContact CH2-CG1 4.45Å; W15-V266 HydrophobicContact CZ2-CG1 4Å
16A98.9Very high98.7Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-60.3-42.3176.800000112.1A12 E14 Y19 I20 M200 L202A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.46Å; A12-A16 VanDerWaalsContact O-N 3.08Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.98Å; A16-Y19 PolarHBondContact O-N 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.44Å; A16-I20 PolarHBondContact O-N 2.93Å; A16-M200 HydrophobicContact CB-CE 3.86Å; A16-M200 HydrophobicContact CB-SD 4.1Å; A16-L202 HydrophobicContact CB-CD1 4.24Å
17A98.9Very high98.7Very high0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-66.6-4217800000112.6S13 E14 W15 Y19 I20 R21 K51 L52 F55S13-A17 WeakPolarHBondContact O-CB 3.21Å; S13-A17 PolarHBondContact O-N 2.71Å; E14-A17 PolarHBondContact O-N 2.99Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 3.37Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 2.98Å; A17-I20 PolarHBondContact O-N 2.87Å; A17-R21 WeakPolarHBondContact O-CB 3.14Å; A17-R21 PolarHBondContact O-N 3.47Å; A17-K51 HydrophobicContact CB-CB 3.42Å; A17-K51 VanDerWaalsContact CB-CB 3.42Å; A17-K51 HydrophobicContact CB-CG 4.4Å; A17-L52 HydrophobicContact CB-CD2 4.15Å; A17-L52 HydrophobicContact CB-CG 4.11Å; A17-F55 HydrophobicContact CB-CE2 3.91Å
18K98.9Very high98.7Very high48 Ų4836.2 Ų36.221%0.20917%0.166CC..Hα-helixtrans-61.6-40.6174.2-74.9173.2178.1163.60111E14 W15 R21 N22 F55 V266 V269E14-K18 HydrophobicContact CG-CD 4.18Å; E14-K18 HydrophobicContact CG-CG 4.44Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.98Å; E14-K18 WeakPolarHBondContact OE1-CE 3.41Å; E14-K18 IonicContact OE1-NZ 3.53Å; E14-K18 PolarHBondContact OE1-NZ 2.65Å; E14-K18 IonicContact OE2-NZ 3.44Å; W15-K18 PolarHBondContact O-N 2.92Å; K18-R21 WeakPolarHBondContact O-CB 3.42Å; K18-R21 PolarHBondContact O-N 3.23Å; K18-N22 WeakPolarHBondContact O-CB 3.49Å; K18-N22 PolarHBondContact O-N 3.02Å; K18-F55 HydrophobicContact CG-CE2 4.32Å; K18-F55 HydrophobicContact CG-CZ 4Å; K18-V266 HydrophobicContact CB-CB 3.8Å; K18-V266 HydrophobicContact CB-CG1 3.87Å; K18-V266 HydrophobicContact CD-CB 4.4Å; K18-V269 HydrophobicContact CD-CG2 3.85Å; K18-V269 HydrophobicContact CG-CG1 4.41Å; K18-V269 HydrophobicContact CG-CG2 4.14Å
19Y98.9Very high98.7Very high8 Ų834 Ų343%0.03116%0.155CC..Hα-helixtrans-63-50177.7-170.7-107.1000111.7W15 A16 A17 R21 N22 R23 E198 M200 I236 L265 V266W15-Y19 AromaticContact CH2-CD2 3.92Å; W15-Y19 HydrophobicContact CH2-CD2 3.92Å; W15-Y19 HydrophobicContact CH2-CG 4.07Å; W15-Y19 HydrophobicContact CZ3-CD1 4.48Å; W15-Y19 HydrophobicContact CZ3-CD2 4.23Å; W15-Y19 AromaticContact CZ3-CG 3.89Å; W15-Y19 HydrophobicContact CZ3-CG 3.89Å; W15-Y19 WeakPolarHBondContact O-CB 3.38Å; W15-Y19 PolarHBondContact O-N 3.13Å; A16-Y19 PolarHBondContact O-N 3.29Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 2.98Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.4Å; Y19-N22 PolarHBondContact O-N 2.97Å; Y19-R23 HydrophobicContact CD1-CG 4.16Å; Y19-R23 HydrophobicContact CE1-CG 3.75Å; Y19-R23 HydrophobicContact CE2-CG 4.14Å; Y19-R23 WeakPolarHBondContact O-CB 3.25Å; Y19-R23 VanDerWaalsContact O-CG 3.26Å; Y19-R23 WeakPolarHBondContact O-CG 3.15Å; Y19-R23 PolarHBondContact O-N 3.29Å; Y19-R23 WeakPolarHBondContact OH-CD 3.39Å; Y19-E198 PolarHBondContact OH-OE1 3.29Å; Y19-E198 PolarHBondContact OH-OE2 2.99Å; Y19-E198 VanDerWaalsContact OH-OE2 3.06Å; Y19-M200 HydrophobicContact CD1-SD 3.82Å; Y19-M200 HydrophobicContact CG-SD 4.5Å; Y19-I236 HydrophobicContact CE1-CD1 3.8Å; Y19-I236 HydrophobicContact CE2-CD1 4.11Å; Y19-L265 HydrophobicContact CD2-CB 3.88Å; Y19-L265 HydrophobicContact CE2-CB 3.84Å; Y19-L265 HydrophobicContact CE2-CD1 4.14Å; Y19-L265 HydrophobicContact CE2-CD2 4.44Å; Y19-L265 HydrophobicContact CE2-CG 4.37Å; Y19-V266 HydrophobicContact CD2-CG1 4.23Å
20I98.9Very high98.7Very high2 Ų233.4 Ų33.41%0.0116%0.16CC..Hα-helixtrans-57.5-45.7175.4-68.1162.7000110.7A16 A17 R23 I24 L37 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CG1 3.44Å; A16-I20 PolarHBondContact O-N 2.93Å; A17-I20 PolarHBondContact O-N 2.87Å; I20-R23 PolarHBondContact O-N 2.95Å; I20-I24 HydrophobicContact CG2-CD1 3.73Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 2.97Å; I20-L37 HydrophobicContact CG2-CD2 4.36Å; I20-L52 HydrophobicContact CB-CD2 4.08Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.24Å; I20-L52 HydrophobicContact CG2-CD2 3.85Å; I20-L133 HydrophobicContact CG1-CD2 3.91Å; I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.27Å; I20-M200 HydrophobicContact CD1-CE 3.69Å; I20-M200 HydrophobicContact CG1-CE 3.71Å
21R98.7Very high98.6Very high16 Ų1630.8 Ų30.86%0.0616%0.156CC..Hα-helixtrans-56.2-54.3176.7170.2176.1167.9179.1-8.7111.4A17 K18 Y19 R23 I24 V25 F55 D60 L61 V269 L270A17-R21 WeakPolarHBondContact O-CB 3.14Å; A17-R21 PolarHBondContact O-N 3.47Å; K18-R21 WeakPolarHBondContact O-CB 3.42Å; K18-R21 PolarHBondContact O-N 3.23Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.4Å; R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.26Å; R21-I24 PolarHBondContact O-N 3.28Å; R21-V25 HydrophobicContact CG-CG2 4.41Å; R21-V25 WeakPolarHBondContact O-CB 3.44Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 2.79Å; R21-F55 HydrophobicContact CB-CD2 4.07Å; R21-F55 HydrophobicContact CB-CE2 4.38Å; R21-F55 HydrophobicContact CG-CD2 4.37Å; R21-D60 VanDerWaalsContact CZ-CB 3.45Å; R21-D60 IonicContact NH1-OD2 3.55Å; R21-L61 HydrophobicContact CB-CD2 4.12Å; R21-L61 HydrophobicContact CG-CD1 4.31Å; R21-L61 HydrophobicContact CG-CD2 4.4Å; R21-V269 VanDerWaalsContact CZ-CG1 3.42Å; R21-L270 PolarHBondContact NE-O 3.15Å; R21-L270 PolarHBondContact NH2-O 3.4Å
22N98.8Very high98.5Very high4 Ų435.3 Ų35.32%0.02118%0.181CC..Hα-helixtrans-59.7-44.5-179.8-79.88.1000111K18 Y19 I24 V25 E26 L265 P268 L270K18-N22 WeakPolarHBondContact O-CB 3.49Å; K18-N22 PolarHBondContact O-N 3.02Å; Y19-N22 PolarHBondContact O-N 2.97Å; N22-I24 PolarHBondContact O-N 3.41Å; N22-V25 PolarHBondContact O-N 3.34Å; N22-E26 VanDerWaalsContact O-CB 3.31Å; N22-E26 WeakPolarHBondContact O-CB 3.49Å; N22-E26 VanDerWaalsContact O-CG 3.24Å; N22-E26 WeakPolarHBondContact O-CG 3.26Å; N22-E26 PolarHBondContact O-N 3.26Å; N22-L265 PolarHBondContact ND2-O 3.42Å; N22-P268 PolarHBondContact ND2-O 3.02Å; N22-L270 HydrophobicContact CB-CD1 4.23Å; N22-L270 WeakPolarHBondContact OD1-CB 3.3Å; N22-L270 PolarHBondContact OD1-N 3.47Å
23R98.8Very high98.4Very high43 Ų4341.6 Ų41.616%0.16221%0.205CC..Hα-helixtrans-60.7-43178.2-67.3-65.6-72.5114.79.7112.4Y19 I20 R21 F27 F35 E132 E198Y19-R23 HydrophobicContact CD1-CG 4.16Å; Y19-R23 HydrophobicContact CE1-CG 3.75Å; Y19-R23 HydrophobicContact CE2-CG 4.14Å; Y19-R23 WeakPolarHBondContact O-CB 3.25Å; Y19-R23 VanDerWaalsContact O-CG 3.26Å; Y19-R23 WeakPolarHBondContact O-CG 3.15Å; Y19-R23 PolarHBondContact O-N 3.29Å; Y19-R23 WeakPolarHBondContact OH-CD 3.39Å; I20-R23 PolarHBondContact O-N 2.95Å; R21-R23 VanDerWaalsContact C-N 3.33Å; R21-R23 PolarHBondContact O-N 3.26Å; R23-F27 WeakPolarHBondContact O-CB 3.43Å; R23-F27 PolarHBondContact O-N 3.2Å; R23-F35 HydrophobicContact CB-CE2 4.13Å; R23-F35 HydrophobicContact CB-CZ 4.13Å; R23-E132 IonicContact CZ-OE1 3.86Å; R23-E132 IonicContact NH2-OE1 2.85Å; R23-E132 PolarHBondContact NH2-OE1 3Å; R23-E198 IonicContact CZ-OE2 3.95Å; R23-E198 IonicContact NE-OE2 2.83Å; R23-E198 PolarHBondContact NE-OE2 3.38Å; R23-E198 IonicContact NH2-OE2 2.85Å
24I98.8Very high98.4Very high4 Ų444.7 Ų44.72%0.02122%0.217CC..Hα-helixtrans-64.7-48.2176.1-68.5168.7000110.4I20 R21 N22 F27 K28 P29 F35 L61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.73Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 2.97Å; R21-I24 PolarHBondContact O-N 3.28Å; N22-I24 PolarHBondContact O-N 3.41Å; I24-F27 PolarHBondContact O-N 3.23Å; I24-K28 PolarHBondContact O-N 3.21Å; I24-P29 HydrophobicContact CG2-CG 4.17Å; I24-P29 WeakPolarHBondContact O-CD 3.48Å; I24-F35 HydrophobicContact CD1-CD1 4.47Å; I24-F35 HydrophobicContact CG1-CD1 3.76Å; I24-F35 HydrophobicContact CG1-CD2 4.21Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CE2 4.23Å; I24-F35 HydrophobicContact CG1-CG 3.98Å; I24-F35 HydrophobicContact CG1-CZ 4.03Å; I24-L61 HydrophobicContact CB-CD1 3.95Å; I24-L61 HydrophobicContact CD1-CD1 4.24Å; I24-L61 HydrophobicContact CG2-CD1 3.75Å; I24-F63 HydrophobicContact CD1-CD1 4.4Å; I24-F63 HydrophobicContact CD1-CE1 3.89Å; I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG2-CG2 4.28Å
25V98.4Very high98.4Very high6 Ų642 Ų424%0.03621%0.205CC..Hα-helixtrans-64.6-43.8-177.8172.30000111.3R21 N22 F27 K28 L61 L270 M272 Q275R21-V25 HydrophobicContact CG-CG2 4.41Å; R21-V25 WeakPolarHBondContact O-CB 3.44Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 2.79Å; N22-V25 PolarHBondContact O-N 3.34Å; V25-F27 VanDerWaalsContact C-N 3.33Å; V25-F27 PolarHBondContact O-N 3.48Å; V25-K28 WeakPolarHBondContact O-CG 3.24Å; V25-K28 PolarHBondContact O-N 3.15Å; V25-L61 HydrophobicContact CG2-CD1 4.15Å; V25-L270 HydrophobicContact CB-CB 4.23Å; V25-L270 HydrophobicContact CG1-CB 3.75Å; V25-L270 HydrophobicContact CG1-CD1 4.48Å; V25-M272 HydrophobicContact CG2-CB 4.48Å; V25-Q275 HydrophobicContact CG1-CG 4.46Å; V25-Q275 PolarHBondContact O-NE2 2.82Å; V25-Q275 PolarHBondContact O-OE1 2.92Å
26E98Very high98.4Very high105 Ų10541.9 Ų41.949%0.49121%0.205SC..Hα-helixtrans-65.7-35175.7-72.5172.4175.100112.9N22 K28 L270N22-E26 VanDerWaalsContact O-CB 3.31Å; N22-E26 WeakPolarHBondContact O-CB 3.49Å; N22-E26 VanDerWaalsContact O-CG 3.24Å; N22-E26 WeakPolarHBondContact O-CG 3.26Å; N22-E26 PolarHBondContact O-N 3.26Å; E26-K28 PolarHBondContact O-N 3.14Å; E26-L270 HydrophobicContact CG-CD1 3.33Å; E26-L270 WeakPolarHBondContact OE1-CD1 3.44Å
27F98.5Very high98.4Very high22 Ų2241.9 Ų41.910%0.09621%0.205CC..Hα-helixtrans-68.5-25179.1-175-90.8000112.3R23 I24 V25 P29 R33 Y34 F35 E132R23-F27 WeakPolarHBondContact O-CB 3.43Å; R23-F27 PolarHBondContact O-N 3.2Å; I24-F27 PolarHBondContact O-N 3.23Å; V25-F27 VanDerWaalsContact C-N 3.33Å; V25-F27 PolarHBondContact O-N 3.48Å; F27-P29 HydrophobicContact CD1-CB 3.93Å; F27-P29 HydrophobicContact CE1-CB 4.24Å; F27-R33 HydrophobicContact CE1-CG 3.74Å; F27-R33 HydrophobicContact CZ-CG 3.82Å; F27-R33 VanDerWaalsContact CZ-NE 3.27Å; F27-R33 PolarHBondContact O-NH2 3.04Å; F27-Y34 WeakPolarHBondContact CE1-O 3.19Å; F27-F35 HydrophobicContact CB-CD2 3.65Å; F27-F35 HydrophobicContact CB-CE2 4.15Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.42Å; F27-F35 HydrophobicContact CD2-CD2 4.05Å; F27-F35 HydrophobicContact CE1-CB 4.13Å; F27-F35 HydrophobicContact CE1-CD2 4.48Å; F27-F35 AromaticContact CG-CD2 3.61Å; F27-F35 HydrophobicContact CG-CD2 3.61Å; F27-F35 HydrophobicContact CG-CE2 4.36Å; F27-E132 HydrophobicContact CD2-CG 4.15Å; F27-E132 HydrophobicContact CE2-CG 4.12Å
28K97.8Very high98.4Very high129 Ų12941.9 Ų41.956%0.56121%0.205SC*.  trans52.759.5-180-56.1-171.5176.6-172.20112.3I24 V25 E26I24-K28 PolarHBondContact O-N 3.21Å; V25-K28 WeakPolarHBondContact O-CG 3.24Å; V25-K28 PolarHBondContact O-N 3.15Å; E26-K28 PolarHBondContact O-N 3.14Å
29P98.3Very high98.4Very high27 Ų2739.7 Ų39.718%0.17520%0.195CC..  trans-65.2146.4-175.530.3-36.9000111.4I24 F27 R33 F35 Y65I24-P29 HydrophobicContact CG2-CG 4.17Å; I24-P29 WeakPolarHBondContact O-CD 3.48Å; F27-P29 HydrophobicContact CD1-CB 3.93Å; F27-P29 HydrophobicContact CE1-CB 4.24Å; P29-R33 CarbonylContact C-O 3.55Å; P29-R33 WeakPolarHBondContact CA-O 3.48Å; P29-R33 WeakPolarHBondContact CB-O 3.36Å; P29-F35 HydrophobicContact CB-CB 4.05Å; P29-F35 HydrophobicContact CG-CB 4.34Å; P29-Y65 WeakPolarHBondContact CB-O 3.43Å; P29-Y65 WeakPolarHBondContact O-CD2 3.32Å
30S98Very high98.4Very high49 Ų4939.5 Ų39.534%0.34320%0.195SC..BIsolated β-bridgetrans-140.9177-178.473.10000110.5D32 R33 Y65S30-D32 PolarHBondContact O-N 3.38Å; S30-D32 VanDerWaalsContact O-N 3.13Å; S30-R33 PolarHBondContact N-O 3.01Å; S30-R33 CarbonylContact O-C 3.53Å; S30-R33 VanDerWaalsContact O-C 3.24Å; S30-R33 PolarHBondContact O-N 3.1Å; S30-Y65 VanDerWaalsContact C-CD1 3.47Å
31A97.4Very high98.4Very high52 Ų5240.2 Ų40.243%0.4320%0.199SC..THydrogen-bonded Turntrans-58.1-26.1179.200000113.7Y34 Y65A31-Y34 WeakPolarHBondContact O-CE2 3.48Å; A31-Y65 HydrophobicContact CB-CD1 4.4Å; A31-Y65 HydrophobicContact CB-CE1 3.74Å
32D96.9Very high98.2Very high159 Ų15940.6 Ų40.685%0.8521%0.208SC*.THydrogen-bonded Turntrans-100.6-4.4179.8-57-42.9000112.7S30S30-D32 PolarHBondContact O-N 3.38Å; S30-D32 VanDerWaalsContact O-N 3.13Å
33R97.6Very high98Very high132 Ų13243.4 Ų43.450%0.49823%0.229SC..BIsolated β-bridgetrans-149.987.7-174.7-174.3-176.9151.8-173.3-8.4110.3F27 P29 S30F27-R33 HydrophobicContact CE1-CG 3.74Å; F27-R33 HydrophobicContact CZ-CG 3.82Å; F27-R33 VanDerWaalsContact CZ-NE 3.27Å; F27-R33 PolarHBondContact O-NH2 3.04Å; P29-R33 CarbonylContact C-O 3.55Å; P29-R33 WeakPolarHBondContact CA-O 3.48Å; P29-R33 WeakPolarHBondContact CB-O 3.36Å; S30-R33 PolarHBondContact N-O 3.01Å; S30-R33 CarbonylContact O-C 3.53Å; S30-R33 VanDerWaalsContact O-C 3.24Å; S30-R33 PolarHBondContact O-N 3.1Å
34Y98.8Very high97.9Very high66 Ų6641.9 Ų41.926%0.25922%0.224SC..PPolyproline II helixtrans-77146.9178.7-73.7-98.7000111.9F27 A31 Y65 K67 N103F27-Y34 WeakPolarHBondContact CE1-O 3.19Å; A31-Y34 WeakPolarHBondContact O-CE2 3.48Å; Y34-Y65 VanDerWaalsContact CA-O 3.31Å; Y34-Y65 WeakPolarHBondContact CA-O 3.29Å; Y34-Y65 VanDerWaalsContact CD1-C 3.44Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.26Å; Y34-Y65 HydrophobicContact CE1-CD1 4.13Å; Y34-K67 HydrophobicContact CD1-CD 4.22Å; Y34-K67 HydrophobicContact CD1-CG 3.8Å; Y34-K67 HydrophobicContact CG-CD 4.07Å; Y34-K67 HydrophobicContact CG-CG 4.11Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.35Å
35F98.9Very high97.9Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-85.3118.8165-174.8-81.2000108.9R23 I24 F27 P29 L37 Y65 V66 K67 E132 L133R23-F35 HydrophobicContact CB-CE2 4.13Å; R23-F35 HydrophobicContact CB-CZ 4.13Å; I24-F35 HydrophobicContact CD1-CD1 4.47Å; I24-F35 HydrophobicContact CG1-CD1 3.76Å; I24-F35 HydrophobicContact CG1-CD2 4.21Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CE2 4.23Å; I24-F35 HydrophobicContact CG1-CG 3.98Å; I24-F35 HydrophobicContact CG1-CZ 4.03Å; F27-F35 HydrophobicContact CB-CD2 3.65Å; F27-F35 HydrophobicContact CB-CE2 4.15Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.42Å; F27-F35 HydrophobicContact CD2-CD2 4.05Å; F27-F35 HydrophobicContact CE1-CB 4.13Å; F27-F35 HydrophobicContact CE1-CD2 4.48Å; F27-F35 AromaticContact CG-CD2 3.61Å; F27-F35 HydrophobicContact CG-CD2 3.61Å; F27-F35 HydrophobicContact CG-CE2 4.36Å; P29-F35 HydrophobicContact CB-CB 4.05Å; P29-F35 HydrophobicContact CG-CB 4.34Å; F35-L37 HydrophobicContact CD1-CB 4.14Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.12Å; F35-Y65 PolarHBondContact N-O 3.11Å; F35-V66 HydrophobicContact CB-CG2 4.29Å; F35-V66 CarbonylContact O-C 3.47Å; F35-V66 VanDerWaalsContact O-CA 3.32Å; F35-V66 WeakPolarHBondContact O-CA 3.3Å; F35-K67 PolarHBondContact O-N 3.24Å; F35-E132 HydrophobicContact CD2-CB 4.42Å; F35-E132 HydrophobicContact CD2-CG 3.87Å; F35-E132 HydrophobicContact CE2-CB 4.25Å; F35-E132 HydrophobicContact CE2-CG 3.51Å; F35-E132 HydrophobicContact CZ-CB 4.37Å; F35-E132 HydrophobicContact CZ-CG 3.96Å; F35-L133 HydrophobicContact CE1-CB 4.16Å; F35-L133 HydrophobicContact CZ-CB 3.81Å; F35-L133 HydrophobicContact CZ-CD2 4.4Å
36T98.9Very high97.9Very high8 Ų846.6 Ų46.65%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-95.9118.5-178.946.20000111.2K67 F69 A128 G130 I131 E132 L133T36-K67 CarbonylContact C-O 3.58Å; T36-K67 WeakPolarHBondContact CA-O 3.26Å; T36-K67 HydrophobicContact CG2-CB 4.2Å; T36-F69 HydrophobicContact CG2-CE2 4.3Å; T36-A128 HydrophobicContact CG2-CB 3.81Å; T36-G130 WeakPolarHBondContact CB-O 3.38Å; T36-G130 WeakPolarHBondContact CG2-O 3.34Å; T36-G130 PolarHBondContact OG1-O 2.85Å; T36-I131 WeakPolarHBondContact OG1-CA 3.43Å; T36-E132 WeakPolarHBondContact O-CB 3.17Å; T36-E132 PolarHBondContact O-N 2.84Å; T36-E132 PolarHBondContact OG1-N 2.93Å; T36-L133 PolarHBondContact O-N 2.99Å
37L98.9Very high97.9Very high0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-119.5113.6-171.7-178.461.9000111.4I20 F35 L39 V66 K67 T68 F69 L133 V135I20-L37 HydrophobicContact CG2-CD2 4.36Å; F35-L37 HydrophobicContact CD1-CB 4.14Å; F35-L37 HydrophobicContact CE1-CB 4.02Å; F35-L37 HydrophobicContact CE1-CD1 4.12Å; L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD2 3.74Å; L37-L39 HydrophobicContact CD2-CG 4.22Å; L37-L39 HydrophobicContact CG-CD2 3.69Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-V66 HydrophobicContact CB-CG1 4.13Å; L37-V66 HydrophobicContact CD2-CG1 4.49Å; L37-K67 PolarHBondContact N-O 3.4Å; L37-T68 HydrophobicContact CB-CG2 4.41Å; L37-T68 CarbonylContact O-C 3.58Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.17Å; L37-F69 PolarHBondContact O-N 3.38Å; L37-L133 CarbonylContact C-O 3.52Å; L37-L133 WeakPolarHBondContact CA-O 3.24Å; L37-L133 HydrophobicContact CD1-CB 4.2Å; L37-L133 HydrophobicContact CD1-CD2 4.09Å; L37-L133 HydrophobicContact CD1-CG 4.09Å; L37-V135 HydrophobicContact CD1-CG2 3.88Å
38G98.9Very high97.9Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-75.8134.7168.700000110.7F69 L133 V135G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.25Å; G38-F69 WeakPolarHBondContact CA-O 3.38Å; G38-L133 PolarHBondContact N-O 2.95Å; G38-V135 WeakPolarHBondContact O-CB 3.21Å; G38-V135 PolarHBondContact O-N 2.62Å
39L98.9Very high98Very high1 Ų135 Ų351%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-130.9141.1-172.4-72.1-178.3000114L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD2 3.74Å; L37-L39 HydrophobicContact CD2-CG 4.22Å; L37-L39 HydrophobicContact CG-CD2 3.69Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-Y49 HydrophobicContact CD1-CE1 4.31Å; L39-Y49 HydrophobicContact CD2-CE1 4.04Å; L39-T68 HydrophobicContact CD1-CG2 3.58Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; L39-F69 PolarHBondContact N-O 3.15Å; L39-N70 VanDerWaalsContact O-CA 3.31Å; L39-N70 WeakPolarHBondContact O-CA 3.34Å; L39-M71 PolarHBondContact O-N 2.84Å; L39-M89 HydrophobicContact CB-CE 4.2Å; L39-M89 HydrophobicContact CD1-CE 3.63Å; L39-F93 HydrophobicContact CD1-CD1 4.16Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; L39-F94 HydrophobicContact CD1-CE1 4.13Å
40P98.6Very high98Very high4 Ų436.5 Ų36.53%0.02620%0.197CC..  trans-96.7179.117337.5-30000113P45 Y49 M71 V135P40-P45 HydrophobicContact CB-CG 4.49Å; P40-P45 HydrophobicContact CG-CB 3.88Å; P40-P45 HydrophobicContact CG-CG 4Å; P40-Y49 PolarHBondContact O-OH 3.06Å; P40-M71 HydrophobicContact CB-CE 3.38Å; P40-M71 HydrophobicContact CB-SD 3.99Å; P40-V135 VanDerWaalsContact CD-O 3.23Å; P40-V135 WeakPolarHBondContact CD-O 3.46Å; P40-V135 HydrophobicContact CG-CG1 4.14Å
41T98Very high98.1Very high17 Ų1736.5 Ų36.510%0.10419%0.191CC..  trans-124.6-172.9167.766.10000110.5P45 Y85 Y88 M89T41-P45 WeakPolarHBondContact O-CD 3.45Å; T41-P45 VanDerWaalsContact O-CG 3.28Å; T41-P45 WeakPolarHBondContact O-CG 3.3Å; T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.99Å; T41-Y85 HydrophobicContact CG2-CG 3.72Å; T41-Y85 VanDerWaalsContact OG1-CE1 3.3Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.28Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.31Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; T41-Y88 HydrophobicContact CG2-CD1 3.69Å; T41-Y88 HydrophobicContact CG2-CE1 4.17Å; T41-Y88 HydrophobicContact CG2-CG 4.29Å; T41-M89 HydrophobicContact CG2-CG 4.14Å; T41-M89 HydrophobicContact CG2-SD 3.94Å
42G94.4Very high98.1Very high24 Ų2434 Ų3425%0.24717%0.17CC..SBendtrans97.9-173.9175.500000114.2P45 Y88G42-P45 WeakPolarHBondContact O-CD 3.48Å; G42-Y88 PolarHBondContact O-OH 3.35Å
43S94.6Very high98.2Very high64 Ų6426.5 Ų26.545%0.44813%0.13SC..SBendtrans-73.1-34.7-175540000113.1Y9 Y46Y9-S43 PolarHBondContact OH-O 2.72Å; S43-Y46 WeakPolarHBondContact O-CB 3.35Å; S43-Y46 PolarHBondContact O-N 3.05Å
44T97.4Very high98.3Very high11 Ų1124.5 Ų24.57%0.06713%0.126CC..THydrogen-bonded Turntrans-59.5-48.8-177.7-62.10000113.9Y46 L202T44-Y46 VanDerWaalsContact C-N 3.29Å; T44-Y46 PolarHBondContact O-N 3.12Å; T44-L202 HydrophobicContact CG2-CB 4.1Å; T44-L202 HydrophobicContact CG2-CD2 3.92Å; T44-L202 HydrophobicContact CG2-CG 3.68Å; T44-L202 WeakPolarHBondContact CG2-O 3.32Å; T44-L202 WeakPolarHBondContact O-CD2 3.46Å
45P98.3Very high98.3Very high8 Ų822.4 Ų22.45%0.05212%0.119CC..THydrogen-bonded Turntrans-79.8-4.9179.233.1-39000114.5P40 T41 G42 G47 C48 Y49P40-P45 HydrophobicContact CB-CG 4.49Å; P40-P45 HydrophobicContact CG-CB 3.88Å; P40-P45 HydrophobicContact CG-CG 4Å; T41-P45 WeakPolarHBondContact O-CD 3.45Å; T41-P45 VanDerWaalsContact O-CG 3.28Å; T41-P45 WeakPolarHBondContact O-CG 3.3Å; G42-P45 WeakPolarHBondContact O-CD 3.48Å; P45-G47 PolarHBondContact O-N 2.92Å; P45-C48 WeakPolarHBondContact O-CB 3.44Å; P45-C48 PolarHBondContact O-N 3.24Å; P45-C48 VanDerWaalsContact O-N 3.15Å; P45-Y49 HydrophobicContact CB-CD2 4.29Å; P45-Y49 HydrophobicContact CB-CE2 3.82Å; P45-Y49 HydrophobicContact CG-CE2 4.06Å; P45-Y49 VanDerWaalsContact O-CD2 3.3Å; P45-Y49 WeakPolarHBondContact O-CD2 3.48Å; P45-Y49 PolarHBondContact O-N 2.85Å
46Y98.6Very high98.3Very high101 Ų10124.4 Ų24.440%0.39613%0.128SC..Hα-helixtrans-58.5-47.1-173.7177.5-99.5000112.6S43 T44 C48 Y49 Q50 N92S43-Y46 WeakPolarHBondContact O-CB 3.35Å; S43-Y46 PolarHBondContact O-N 3.05Å; T44-Y46 VanDerWaalsContact C-N 3.29Å; T44-Y46 PolarHBondContact O-N 3.12Å; Y46-C48 VanDerWaalsContact C-N 3.3Å; Y46-C48 PolarHBondContact O-N 3.1Å; Y46-Y49 PolarHBondContact O-N 3.33Å; Y46-Q50 HydrophobicContact CD1-CG 4.26Å; Y46-Q50 HydrophobicContact CE1-CG 3.8Å; Y46-Q50 HydrophobicContact CE2-CG 4.49Å; Y46-Q50 WeakPolarHBondContact O-CG 3.48Å; Y46-Q50 PolarHBondContact O-N 3.35Å; Y46-N92 HydrophobicContact CD2-CB 4.43Å; Y46-N92 HydrophobicContact CE2-CB 4.42Å
47G98.8Very high98.3Very high5 Ų532 Ų325%0.05216%0.156CC..Hα-helixtrans-62.6-37.9178.100000112.2Y9 P45 Y49 Q50 K51Y9-G47 WeakPolarHBondContact OH-CA 3.48Å; Y9-G47 PolarHBondContact OH-N 3.38Å; P45-G47 PolarHBondContact O-N 2.92Å; G47-Y49 PolarHBondContact O-N 3.12Å; G47-Q50 PolarHBondContact O-N 3.18Å; G47-K51 PolarHBondContact O-N 3.04Å; G47-K51 VanDerWaalsContact O-N 3.1Å
48C98.9Very high98.2Very high5 Ų534.5 Ų34.53%0.03417%0.173CC..Hα-helixtrans-60.5-45.4174.1-175.60000111.1P45 Y46 Q50 K51 L52 L202P45-C48 WeakPolarHBondContact O-CB 3.44Å; P45-C48 PolarHBondContact O-N 3.24Å; P45-C48 VanDerWaalsContact O-N 3.15Å; Y46-C48 VanDerWaalsContact C-N 3.3Å; Y46-C48 PolarHBondContact O-N 3.1Å; C48-Q50 PolarHBondContact O-N 2.91Å; C48-K51 PolarHBondContact O-N 2.97Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 3.19Å; C48-L202 HydrophobicContact CB-CD2 4.41Å
49Y98.9Very high98.1Very high3 Ų336 Ų361%0.01219%0.189CC..Hα-helixtrans-61.8-40.9175.6-68.2-49.5000113.1L39 P40 P45 Y46 G47 K51 L52 I53 Y88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.31Å; L39-Y49 HydrophobicContact CD2-CE1 4.04Å; P40-Y49 PolarHBondContact O-OH 3.06Å; P45-Y49 HydrophobicContact CB-CD2 4.29Å; P45-Y49 HydrophobicContact CB-CE2 3.82Å; P45-Y49 HydrophobicContact CG-CE2 4.06Å; P45-Y49 VanDerWaalsContact O-CD2 3.3Å; P45-Y49 WeakPolarHBondContact O-CD2 3.48Å; P45-Y49 PolarHBondContact O-N 2.85Å; Y46-Y49 PolarHBondContact O-N 3.33Å; G47-Y49 PolarHBondContact O-N 3.12Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.3Å; Y49-L52 HydrophobicContact CD1-CD1 4.34Å; Y49-L52 PolarHBondContact O-N 2.95Å; Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.39Å; Y49-I53 PolarHBondContact O-N 3.06Å; Y49-Y88 HydrophobicContact CD2-CE1 4.36Å; Y49-Y88 HydrophobicContact CE2-CE1 4.01Å; Y49-M89 HydrophobicContact CE1-CE 4.34Å; Y49-M89 HydrophobicContact CE2-SD 4.38Å; Y49-F93 HydrophobicContact CD1-CB 3.95Å; Y49-F93 AromaticContact CD1-CD1 3.71Å; Y49-F93 HydrophobicContact CD1-CD1 3.71Å; Y49-F93 AromaticContact CD1-CD2 3.57Å; Y49-F93 HydrophobicContact CD1-CD2 3.57Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 AromaticContact CD1-CE2 3.92Å; Y49-F93 HydrophobicContact CD1-CE2 3.92Å; Y49-F93 AromaticContact CD1-CG 3.47Å; Y49-F93 HydrophobicContact CD1-CG 3.47Å; Y49-F93 VanDerWaalsContact CD1-CG 3.47Å; Y49-F93 HydrophobicContact CD1-CZ 4.14Å; Y49-F93 HydrophobicContact CE1-CB 4.39Å; Y49-F93 AromaticContact CE1-CD1 3.66Å; Y49-F93 HydrophobicContact CE1-CD1 3.66Å; Y49-F93 HydrophobicContact CE1-CD2 4.37Å; Y49-F93 AromaticContact CE1-CE1 3.94Å; Y49-F93 HydrophobicContact CE1-CE1 3.94Å; Y49-F93 AromaticContact CE1-CG 3.91Å; Y49-F93 HydrophobicContact CE1-CG 3.91Å; Y49-F93 HydrophobicContact CE1-CZ 4.41Å; Y49-F93 HydrophobicContact CG-CB 4.12Å; Y49-F93 HydrophobicContact CG-CD2 4.17Å; Y49-F93 HydrophobicContact CG-CG 4.09Å
50Q98.9Very high98.1Very high58 Ų5837.3 Ų37.327%0.27120%0.196SC..Hα-helixtrans-59.9-43.5176.4-62.4-47.1-6500111.3Y46 G47 C48 I53 E54Y46-Q50 HydrophobicContact CD1-CG 4.26Å; Y46-Q50 HydrophobicContact CE1-CG 3.8Å; Y46-Q50 HydrophobicContact CE2-CG 4.49Å; Y46-Q50 WeakPolarHBondContact O-CG 3.48Å; Y46-Q50 PolarHBondContact O-N 3.35Å; G47-Q50 PolarHBondContact O-N 3.18Å; C48-Q50 PolarHBondContact O-N 2.91Å; Q50-I53 PolarHBondContact O-N 3.35Å; Q50-E54 WeakPolarHBondContact O-CG 3.31Å; Q50-E54 PolarHBondContact O-N 3.35Å
51K98.9Very high98.1Very high48 Ų4837.2 Ų37.221%0.20920%0.195CC..Hα-helixtrans-65.7-39.9176.1-67.5-60.8176.8-1660113.4E14 A17 G47 C48 Y49 I53 E54 F55E14-K51 HydrophobicContact CB-CG 4.45Å; A17-K51 HydrophobicContact CB-CB 3.42Å; A17-K51 VanDerWaalsContact CB-CB 3.42Å; A17-K51 HydrophobicContact CB-CG 4.4Å; G47-K51 PolarHBondContact O-N 3.04Å; G47-K51 VanDerWaalsContact O-N 3.1Å; C48-K51 PolarHBondContact O-N 2.97Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.3Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-I53 PolarHBondContact O-N 3.49Å; K51-E54 VanDerWaalsContact CD-OE2 3.27Å; K51-E54 WeakPolarHBondContact CD-OE2 3.24Å; K51-E54 IonicContact NZ-OE1 3.78Å; K51-E54 IonicContact NZ-OE2 3.92Å; K51-E54 PolarHBondContact NZ-OE2 3.43Å; K51-E54 WeakPolarHBondContact O-CB 3.42Å; K51-E54 PolarHBondContact O-N 3.18Å; K51-F55 HydrophobicContact CB-CE2 4.43Å; K51-F55 VanDerWaalsContact O-CD2 3.3Å; K51-F55 WeakPolarHBondContact O-CD2 3.47Å; K51-F55 VanDerWaalsContact O-CG 3.23Å; K51-F55 WeakPolarHBondContact O-CG 3.44Å; K51-F55 PolarHBondContact O-N 3.35Å
52L98.9Very high98.1Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-63.2-38.1174.1-69.4174.1000112.3A17 I20 C48 Y49 F55 H56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.15Å; A17-L52 HydrophobicContact CB-CG 4.11Å; I20-L52 HydrophobicContact CB-CD2 4.08Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.24Å; I20-L52 HydrophobicContact CG2-CD2 3.85Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 3.19Å; Y49-L52 HydrophobicContact CD1-CD1 4.34Å; Y49-L52 PolarHBondContact O-N 2.95Å; L52-F55 HydrophobicContact CD2-CD2 4.44Å; L52-F55 PolarHBondContact O-N 3.43Å; L52-H56 PolarHBondContact O-N 3.04Å; L52-L61 HydrophobicContact CD2-CD2 3.85Å; L52-F63 HydrophobicContact CB-CZ 4.18Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; L52-F93 HydrophobicContact CB-CE2 3.83Å; L52-F93 HydrophobicContact CB-CZ 4.39Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.06Å
53I98.9Very high98.3Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..Hα-helixtrans-65.3-42.7173.5-68.6163.1000110.9Y49 Q50 K51 F55 H56 R57 N92 F93 H96 I97Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.39Å; Y49-I53 PolarHBondContact O-N 3.06Å; Q50-I53 PolarHBondContact O-N 3.35Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-I53 PolarHBondContact O-N 3.49Å; I53-F55 PolarHBondContact O-N 3.31Å; I53-H56 PolarHBondContact O-N 2.66Å; I53-R57 HydrophobicContact CG2-CG 4.27Å; I53-R57 VanDerWaalsContact CG2-CZ 3.48Å; I53-R57 WeakPolarHBondContact O-CB 3.48Å; I53-R57 WeakPolarHBondContact O-CG 3.41Å; I53-R57 PolarHBondContact O-N 2.87Å; I53-N92 WeakPolarHBondContact CD1-O 3.25Å; I53-F93 HydrophobicContact CD1-CD2 4.37Å; I53-F93 HydrophobicContact CG1-CD2 4.07Å; I53-F93 HydrophobicContact CG1-CE2 4.49Å; I53-H96 HydrophobicContact CD1-CB 3.75Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.9Å; I53-I97 HydrophobicContact CG1-CG2 4.15Å
54E98.8Very high98.5Very high90 Ų9038.9 Ų38.942%0.42119%0.189SC..Hα-helixtrans-57.8-47.4175.1-73.9170.5-160.400111.2Q50 K51 H56 R57 S58Q50-E54 WeakPolarHBondContact O-CG 3.31Å; Q50-E54 PolarHBondContact O-N 3.35Å; K51-E54 VanDerWaalsContact CD-OE2 3.27Å; K51-E54 WeakPolarHBondContact CD-OE2 3.24Å; K51-E54 IonicContact NZ-OE1 3.78Å; K51-E54 IonicContact NZ-OE2 3.92Å; K51-E54 PolarHBondContact NZ-OE2 3.43Å; K51-E54 WeakPolarHBondContact O-CB 3.42Å; K51-E54 PolarHBondContact O-N 3.18Å; E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.44Å; E54-R57 PolarHBondContact O-N 2.64Å; E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 PolarHBondContact O-OG 2.8Å
55F98.8Very high98.6Very high22 Ų2241.8 Ų41.810%0.09620%0.2CC..Hα-helixtrans-64.1-34.3177.2-59.7-28.5000113.2A17 K18 R21 K51 L52 I53 S58 G59 D60 L61A17-F55 HydrophobicContact CB-CE2 3.91Å; K18-F55 HydrophobicContact CG-CE2 4.32Å; K18-F55 HydrophobicContact CG-CZ 4Å; R21-F55 HydrophobicContact CB-CD2 4.07Å; R21-F55 HydrophobicContact CB-CE2 4.38Å; R21-F55 HydrophobicContact CG-CD2 4.37Å; K51-F55 HydrophobicContact CB-CE2 4.43Å; K51-F55 VanDerWaalsContact O-CD2 3.3Å; K51-F55 WeakPolarHBondContact O-CD2 3.47Å; K51-F55 VanDerWaalsContact O-CG 3.23Å; K51-F55 WeakPolarHBondContact O-CG 3.44Å; K51-F55 PolarHBondContact O-N 3.35Å; L52-F55 HydrophobicContact CD2-CD2 4.44Å; L52-F55 PolarHBondContact O-N 3.43Å; I53-F55 PolarHBondContact O-N 3.31Å; F55-S58 PolarHBondContact O-OG 2.89Å; F55-G59 PolarHBondContact O-N 3.16Å; F55-D60 PolarHBondContact O-N 3.22Å; F55-L61 HydrophobicContact CB-CB 3.99Å; F55-L61 HydrophobicContact CB-CD2 4.36Å; F55-L61 PolarHBondContact O-N 3.36Å
56H98.8Very high98.6Very high42 Ų4241.4 Ų41.419%0.19420%0.197CC..Hα-helixtrans-68.2-48.1173.617759.8000111.8L52 I53 E54 S58 G59 L61 F63 H96 I97 D98L52-H56 PolarHBondContact O-N 3.04Å; I53-H56 PolarHBondContact O-N 2.66Å; E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.44Å; H56-S58 VanDerWaalsContact C-N 3.28Å; H56-S58 PolarHBondContact O-N 2.98Å; H56-G59 WeakPolarHBondContact O-CA 3.36Å; H56-G59 PolarHBondContact O-N 2.67Å; H56-L61 WeakPolarHBondContact CA-O 3.32Å; H56-L61 PolarHBondContact ND1-O 3.47Å; H56-F63 HydrophobicContact CB-CE2 4.34Å; H56-H96 PolarHBondContact CD2-O 3.25Å; H56-I97 HydrophobicContact CB-CG2 4.06Å; H56-D98 IonicContact CE1-OD1 3.99Å; H56-D98 PolarHBondContact CE1-OD1 2.87Å; H56-D98 IonicContact CE1-OD2 3.71Å; H56-D98 IonicContact ND1-OD1 3.02Å; H56-D98 PolarHBondContact ND1-OD1 3.18Å; H56-D98 PolarHBondContact NE2-N 3.28Å
57R98.4Very high98.6Very high167 Ų16738.8 Ų38.863%0.6319%0.188SC*.Hα-helixtrans-63.6-32.3179.8-73.3176.7179.6166.13.2112.8I53 E54 G59 H96I53-R57 HydrophobicContact CG2-CG 4.27Å; I53-R57 VanDerWaalsContact CG2-CZ 3.48Å; I53-R57 WeakPolarHBondContact O-CB 3.48Å; I53-R57 WeakPolarHBondContact O-CG 3.41Å; I53-R57 PolarHBondContact O-N 2.87Å; E54-R57 PolarHBondContact O-N 2.64Å; R57-G59 PolarHBondContact O-N 3.13Å; R57-H96 PolarHBondContact NH2-ND1 2.83Å
58S97.9Very high98.6Very high53 Ų5338.5 Ų38.537%0.37119%0.185SC..THydrogen-bonded Turntrans-73.2-9.8173.267.70000112.9E54 F55 H56 D60 K273E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 PolarHBondContact O-OG 2.8Å; F55-S58 PolarHBondContact O-OG 2.89Å; H56-S58 VanDerWaalsContact C-N 3.28Å; H56-S58 PolarHBondContact O-N 2.98Å; S58-D60 WeakPolarHBondContact CB-OD2 3.29Å; S58-D60 VanDerWaalsContact OG-CG 3.28Å; S58-D60 PolarHBondContact OG-OD2 2.98Å; S58-K273 WeakPolarHBondContact O-CE 3.38Å; S58-K273 PolarHBondContact O-NZ 3.48Å
59G97.6Very high98.6Very high31 Ų3138.3 Ų38.332%0.3218%0.184SC..THydrogen-bonded Turntrans78.516.9-17700000113.8F55 H56 R57 M272 K273F55-G59 PolarHBondContact O-N 3.16Å; H56-G59 WeakPolarHBondContact O-CA 3.36Å; H56-G59 PolarHBondContact O-N 2.67Å; R57-G59 PolarHBondContact O-N 3.13Å; G59-M272 WeakPolarHBondContact O-CG 3.43Å; G59-K273 VanDerWaalsContact O-CE 3.27Å; G59-K273 WeakPolarHBondContact O-CE 3.49Å; G59-K273 WeakPolarHBondContact O-CG 3.37Å
60D97.6Very high98.6Very high29 Ų2938.2 Ų38.216%0.15518%0.183CC..SBendtrans-92.5-11.3-179.1-61.3-43.9000113.7R21 F55 S58 S271 M272 K273R21-D60 VanDerWaalsContact CZ-CB 3.45Å; R21-D60 IonicContact NH1-OD2 3.55Å; F55-D60 PolarHBondContact O-N 3.22Å; S58-D60 WeakPolarHBondContact CB-OD2 3.29Å; S58-D60 VanDerWaalsContact OG-CG 3.28Å; S58-D60 PolarHBondContact OG-OD2 2.98Å; D60-S271 WeakPolarHBondContact CA-OG 3.45Å; D60-S271 WeakPolarHBondContact CB-OG 3.38Å; D60-S271 PolarHBondContact OD1-OG 2.96Å; D60-M272 WeakPolarHBondContact O-CG 3.39Å; D60-M272 PolarHBondContact O-N 3.19Å; D60-K273 WeakPolarHBondContact OD1-CE 3.21Å; D60-K273 IonicContact OD1-NZ 2.6Å; D60-K273 PolarHBondContact OD1-NZ 2.58Å
61L98.6Very high98.6Very high2 Ų236 Ų361%0.0117%0.173CC..  trans-144.1140179.9-175.762.2000111.2R21 I24 V25 L52 F55 H56 F63R21-L61 HydrophobicContact CB-CD2 4.12Å; R21-L61 HydrophobicContact CG-CD1 4.31Å; R21-L61 HydrophobicContact CG-CD2 4.4Å; I24-L61 HydrophobicContact CB-CD1 3.95Å; I24-L61 HydrophobicContact CD1-CD1 4.24Å; I24-L61 HydrophobicContact CG2-CD1 3.75Å; V25-L61 HydrophobicContact CG2-CD1 4.15Å; L52-L61 HydrophobicContact CD2-CD2 3.85Å; F55-L61 HydrophobicContact CB-CB 3.99Å; F55-L61 HydrophobicContact CB-CD2 4.36Å; F55-L61 PolarHBondContact O-N 3.36Å; H56-L61 WeakPolarHBondContact CA-O 3.32Å; H56-L61 PolarHBondContact ND1-O 3.47Å; L61-F63 HydrophobicContact CD2-CE1 4.4Å; L61-F63 HydrophobicContact CD2-CE2 3.69Å; L61-F63 HydrophobicContact CD2-CZ 3.49Å; L61-F63 VanDerWaalsContact CD2-CZ 3.49Å; L61-F63 HydrophobicContact CG-CE2 3.92Å; L61-F63 HydrophobicContact CG-CZ 4.09Å
62S98.6Very high98.6Very high27 Ų2734 Ų3419%0.18917%0.165CC..  trans-128.4142.2173.6169.90000110.1K64 D98 M272S62-K64 WeakPolarHBondContact OG-CB 3.38Å; S62-K64 PolarHBondContact OG-N 3.14Å; S62-D98 WeakPolarHBondContact CB-OD2 3.32Å; S62-D98 PolarHBondContact OG-OD2 2.89Å; S62-M272 VanDerWaalsContact CB-SD 3.58Å; S62-M272 PolarHBondContact N-SD 3.36Å; S62-M272 VanDerWaalsContact N-SD 3.43Å
63F98.8Very high98.6Very high0 Ų034 Ų340%017%0.165CC..  trans-105.77176.9-65.3-90000112.5I24 L52 H56 L61 Y65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.4Å; I24-F63 HydrophobicContact CD1-CE1 3.89Å; L52-F63 HydrophobicContact CB-CZ 4.18Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; H56-F63 HydrophobicContact CB-CE2 4.34Å; L61-F63 HydrophobicContact CD2-CE1 4.4Å; L61-F63 HydrophobicContact CD2-CE2 3.69Å; L61-F63 HydrophobicContact CD2-CZ 3.49Å; L61-F63 VanDerWaalsContact CD2-CZ 3.49Å; L61-F63 HydrophobicContact CG-CE2 3.92Å; L61-F63 HydrophobicContact CG-CZ 4.09Å; F63-Y65 PolarHBondContact O-N 3.07Å; F63-Y65 VanDerWaalsContact O-N 3.13Å; F63-V66 HydrophobicContact CB-CB 4.26Å; F63-V66 HydrophobicContact CB-CG2 4.3Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.18Å; F63-V66 HydrophobicContact CD1-CG2 3.95Å; F63-V66 HydrophobicContact CG-CG2 4.5Å; F63-V66 WeakPolarHBondContact O-CB 3.36Å; F63-V66 PolarHBondContact O-N 3.48Å; F63-F93 HydrophobicContact CD1-CZ 4.34Å; F63-F93 AromaticContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE2-CZ 4.36Å; F63-F93 HydrophobicContact CZ-CE2 4.17Å; F63-F93 AromaticContact CZ-CZ 3.73Å; F63-F93 HydrophobicContact CZ-CZ 3.73Å; F63-I97 HydrophobicContact CB-CD1 3.96Å; F63-I97 HydrophobicContact CD1-CD1 4.08Å; F63-I97 HydrophobicContact CD2-CB 3.82Å; F63-I97 HydrophobicContact CD2-CD1 3.81Å; F63-I97 HydrophobicContact CD2-CG1 4.4Å; F63-I97 HydrophobicContact CD2-CG2 3.91Å; F63-I97 HydrophobicContact CE2-CB 4.36Å; F63-I97 HydrophobicContact CE2-CD1 4.32Å; F63-I97 HydrophobicContact CE2-CG2 3.93Å; F63-I97 HydrophobicContact CG-CB 4.43Å; F63-I97 HydrophobicContact CG-CD1 3.68Å; F63-D98 PolarHBondContact N-OD1 3.31Å; F63-I99 HydrophobicContact CB-CB 3.95Å
64K98.7Very high98.5Very high114 Ų11434.1 Ų34.150%0.49617%0.165SC..THydrogen-bonded Turntrans-52.3-38.1-179-179.1176.6179.2178.10113.7S62S62-K64 WeakPolarHBondContact OG-CB 3.38Å; S62-K64 PolarHBondContact OG-N 3.14Å
65Y98.8Very high98.5Very high71 Ų7131 Ų3128%0.27815%0.152SC..THydrogen-bonded Turntrans-112.132.5178.5-58.2-59.9000112.3P29 S30 A31 Y34 F35 F63P29-Y65 WeakPolarHBondContact CB-O 3.43Å; P29-Y65 WeakPolarHBondContact O-CD2 3.32Å; S30-Y65 VanDerWaalsContact C-CD1 3.47Å; A31-Y65 HydrophobicContact CB-CD1 4.4Å; A31-Y65 HydrophobicContact CB-CE1 3.74Å; Y34-Y65 VanDerWaalsContact CA-O 3.31Å; Y34-Y65 WeakPolarHBondContact CA-O 3.29Å; Y34-Y65 VanDerWaalsContact CD1-C 3.44Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.26Å; Y34-Y65 HydrophobicContact CE1-CD1 4.13Å; F35-Y65 PolarHBondContact N-O 3.11Å; F63-Y65 PolarHBondContact O-N 3.07Å; F63-Y65 VanDerWaalsContact O-N 3.13Å
66V98.9Very high98.4Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-105.9138172.5177.70000109.2I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG2-CG2 4.28Å; F35-V66 HydrophobicContact CB-CG2 4.29Å; F35-V66 CarbonylContact O-C 3.47Å; F35-V66 VanDerWaalsContact O-CA 3.32Å; F35-V66 WeakPolarHBondContact O-CA 3.3Å; L37-V66 HydrophobicContact CB-CG1 4.13Å; L37-V66 HydrophobicContact CD2-CG1 4.49Å; F63-V66 HydrophobicContact CB-CB 4.26Å; F63-V66 HydrophobicContact CB-CG2 4.3Å; F63-V66 HydrophobicContact CD1-CB 4.14Å; F63-V66 HydrophobicContact CD1-CG1 4.18Å; F63-V66 HydrophobicContact CD1-CG2 3.95Å; F63-V66 HydrophobicContact CG-CG2 4.5Å; F63-V66 WeakPolarHBondContact O-CB 3.36Å; F63-V66 PolarHBondContact O-N 3.48Å; V66-T68 HydrophobicContact CG1-CG2 4.11Å; V66-N103 WeakPolarHBondContact O-CB 3.46Å
67K98.9Very high98.3Very high46 Ų4631.3 Ų31.320%0.217%0.169CC..EExtended strand (participates in β ladder)trans-110.5130.1167-74.6176.8179.2-178.40109.2Y34 F35 T36 L37 F69 N103 A128Y34-K67 HydrophobicContact CD1-CD 4.22Å; Y34-K67 HydrophobicContact CD1-CG 3.8Å; Y34-K67 HydrophobicContact CG-CD 4.07Å; Y34-K67 HydrophobicContact CG-CG 4.11Å; F35-K67 PolarHBondContact O-N 3.24Å; T36-K67 CarbonylContact C-O 3.58Å; T36-K67 WeakPolarHBondContact CA-O 3.26Å; T36-K67 HydrophobicContact CG2-CB 4.2Å; L37-K67 PolarHBondContact N-O 3.4Å; K67-F69 HydrophobicContact CB-CE2 4.15Å; K67-N103 CarbonylContact C-O 3.32Å; K67-N103 VanDerWaalsContact CA-O 3.29Å; K67-N103 WeakPolarHBondContact CA-O 3.45Å; K67-N103 HydrophobicContact CB-CB 4.49Å; K67-N103 VanDerWaalsContact CE-OD1 3.24Å; K67-N103 WeakPolarHBondContact CE-OD1 3.44Å; K67-N103 HydrophobicContact CG-CB 3.79Å; K67-A128 HydrophobicContact CD-CB 4.18Å
68T98.9Very high98.3Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-108.7145.4179.459.70000111.9L37 L39 V66 F94 I99 N103 A104 H105L37-T68 HydrophobicContact CB-CG2 4.41Å; L37-T68 CarbonylContact O-C 3.58Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.17Å; L39-T68 HydrophobicContact CD1-CG2 3.58Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; V66-T68 HydrophobicContact CG1-CG2 4.11Å; T68-F94 HydrophobicContact CG2-CE1 4.19Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.44Å; T68-I99 HydrophobicContact CG2-CD1 3.6Å; T68-N103 PolarHBondContact N-O 3.4Å; T68-A104 WeakPolarHBondContact OG1-CA 3.34Å; T68-H105 WeakPolarHBondContact O-CA 3.49Å; T68-H105 VanDerWaalsContact O-CB 3.3Å; T68-H105 WeakPolarHBondContact O-CB 3.36Å; T68-H105 PolarHBondContact O-CD2 3.18Å; T68-H105 VanDerWaalsContact O-CD2 3.28Å; T68-H105 PolarHBondContact O-N 2.88Å
69F98.9Very high98.3Very high1 Ų130.8 Ų30.80%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-133.4108.9175.3-66.5-91.9000108.9T36 L37 G38 L39 K67 H105 Y121 K124 I125 A128 I131T36-F69 HydrophobicContact CG2-CE2 4.3Å; L37-F69 PolarHBondContact O-N 3.38Å; G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.25Å; G38-F69 WeakPolarHBondContact CA-O 3.38Å; L39-F69 PolarHBondContact N-O 3.15Å; K67-F69 HydrophobicContact CB-CE2 4.15Å; F69-H105 WeakPolarHBondContact CA-O 3.45Å; F69-H105 HydrophobicContact CD1-CB 3.71Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.92Å; F69-H105 AromaticContact CE1-CD2 3.34Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.45Å; F69-H105 AromaticContact CE1-CG 3.77Å; F69-H105 AromaticContact CE2-CD2 3.86Å; F69-H105 HydrophobicContact CG-CB 4.37Å; F69-H105 AromaticContact CZ-CD2 3.35Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.35Å; F69-H105 AromaticContact CZ-NE2 3.95Å; F69-Y121 VanDerWaalsContact C-OH 3.29Å; F69-Y121 WeakPolarHBondContact CA-OH 3.2Å; F69-Y121 HydrophobicContact CD1-CE1 4.32Å; F69-Y121 HydrophobicContact CD1-CE2 4.38Å; F69-Y121 AromaticContact CD1-CZ 3.99Å; F69-K124 HydrophobicContact CE1-CB 3.98Å; F69-I125 HydrophobicContact CD1-CD1 4.32Å; F69-I125 HydrophobicContact CD1-CG1 3.47Å; F69-I125 VanDerWaalsContact CD1-CG1 3.47Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.63Å; F69-I125 HydrophobicContact CG-CG1 4Å; F69-I125 HydrophobicContact CZ-CG1 4.27Å; F69-A128 HydrophobicContact CE2-CB 4.01Å; F69-A128 HydrophobicContact CZ-CB 3.81Å; F69-I131 HydrophobicContact CB-CD1 4.08Å; F69-I131 HydrophobicContact CD2-CD1 3.46Å; F69-I131 VanDerWaalsContact CD2-CD1 3.46Å; F69-I131 HydrophobicContact CE2-CD1 4.08Å; F69-I131 HydrophobicContact CG-CD1 3.9Å
70N98.9Very high98.2Very high0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-70.8151.9174.7-86.873000112.4L39 M89 H105 I106 Y121L39-N70 VanDerWaalsContact O-CA 3.31Å; L39-N70 WeakPolarHBondContact O-CA 3.34Å; N70-M89 WeakPolarHBondContact ND2-CG 3.29Å; N70-M89 PolarHBondContact ND2-SD 3.29Å; N70-H105 PolarHBondContact N-O 3.07Å; N70-I106 HydrophobicContact CB-CB 4.35Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.2Å; N70-Y121 PolarHBondContact N-OH 2.97Å; N70-Y121 PolarHBondContact O-OH 2.83Å
71M98.4Very high98.2Very high12 Ų1235 Ų356%0.05920%0.195CC..SBendtrans-66.3-34.2179.6-70.4-173.5-37.300113.9L39 P40 F134 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 2.84Å; P40-M71 HydrophobicContact CB-CE 3.38Å; P40-M71 HydrophobicContact CB-SD 3.99Å; M71-F134 HydrophobicContact CG-CE1 3.33Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.92Å; M71-I144 HydrophobicContact SD-CD1 3.97Å; M71-A145 HydrophobicContact CB-CB 3.76Å; M71-A145 HydrophobicContact CE-CB 4.38Å; M71-A145 HydrophobicContact CG-CB 4.26Å; M71-A145 HydrophobicContact SD-CB 4.18Å; M71-T187 CarbonylContact O-C 3.55Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; M71-V188 HydrophobicContact CB-CG2 4.19Å; M71-V188 HydrophobicContact CG-CG2 4.39Å; M71-V188 WeakPolarHBondContact O-CG2 3.39Å; M71-V188 PolarHBondContact O-N 2.93Å
72D98.4Very high98.1Very high5 Ų539.1 Ų39.13%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-163.8167.3-164.331.351.7000112.8Y85 A145 F146 L186D72-Y85 HydrophobicContact CB-CE2 4.5Å; D72-Y85 WeakPolarHBondContact O-CD2 3.5Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.24Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.43Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.4Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.48Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; D72-F146 HydrophobicContact CB-CD2 3.5Å; D72-F146 VanDerWaalsContact CB-CD2 3.5Å; D72-F146 HydrophobicContact CB-CE2 3.82Å; D72-L186 CarbonylContact C-O 3.53Å; D72-L186 WeakPolarHBondContact CA-O 3.34Å; D72-L186 WeakPolarHBondContact CB-O 3.38Å
73E98.6Very high98Very high2 Ų240.9 Ų40.91%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-153.9147.7166.9179.857-89.700109.9Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 3.24Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.19Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.19Å; E73-Y85 PolarHBondContact OE2-N 3.1Å; E73-H86 IonicContact OE2-CD2 3.77Å; E73-H86 PolarHBondContact OE2-CD2 2.92Å; E73-H86 IonicContact OE2-CG 3.8Å; E73-H86 PolarHBondContact OE2-N 2.86Å; E73-H86 IonicContact OE2-NE2 3.44Å; E73-I106 HydrophobicContact CB-CG2 4.21Å; E73-L107 HydrophobicContact CB-CB 4.11Å; E73-L107 WeakPolarHBondContact CB-O 3.45Å; E73-A185 CarbonylContact O-C 3.58Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.49Å; E73-A185 WeakPolarHBondContact O-CB 3.28Å; E73-L186 PolarHBondContact N-O 3.02Å; E73-L186 PolarHBondContact O-N 3.15Å
74Y98.1Very high98Very high2 Ų240.9 Ų40.91%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-68.2137.6175.1-69.9-61.6000112.5L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.83Å; Y74-L77 HydrophobicContact CG-CD2 4.38Å; Y74-Y85 HydrophobicContact CD2-CE1 4.4Å; Y74-Y85 HydrophobicContact CE2-CD1 4.26Å; Y74-Y85 AromaticContact CE2-CE1 3.71Å; Y74-Y85 HydrophobicContact CE2-CE1 3.71Å; Y74-Y85 AromaticContact CE2-CZ 3.94Å; Y74-G109 WeakPolarHBondContact O-CA 3.18Å; Y74-F146 HydrophobicContact CE1-CE2 4.37Å; Y74-F146 AromaticContact CE1-CZ 3.92Å; Y74-F146 HydrophobicContact CE1-CZ 3.92Å; Y74-L162 HydrophobicContact CD1-CD1 4.29Å; Y74-L162 HydrophobicContact CE1-CD1 3.85Å; Y74-N170 PolarHBondContact OH-ND2 3.43Å; Y74-F174 HydrophobicContact CD2-CZ 4.5Å; Y74-F174 HydrophobicContact CE2-CE2 4.39Å; 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 4.37Å; Y74-P182 HydrophobicContact CE1-CG 4.47Å; Y74-P182 HydrophobicContact CG-CB 4.02Å; Y74-P182 HydrophobicContact CG-CG 3.74Å
75V98.2Very high98Very high24 Ų2436.9 Ų36.915%0.14521%0.209CC..THydrogen-bonded Turntrans-79134.2174.2173.60000110.5L77 G109 L114 M184 L186V75-L77 PolarHBondContact O-N 3.25Å; V75-G109 CarbonylContact C-O 3.53Å; V75-G109 VanDerWaalsContact CA-O 3.26Å; V75-G109 WeakPolarHBondContact CA-O 3.34Å; V75-L114 HydrophobicContact CG1-CD1 3.75Å; V75-L114 HydrophobicContact CG1-CD2 4.44Å; V75-L114 HydrophobicContact CG2-CD1 4.07Å; V75-M184 HydrophobicContact CB-CB 4.01Å; V75-M184 HydrophobicContact CG1-CE 4.21Å; V75-M184 HydrophobicContact CG2-CB 4.16Å; V75-M184 PolarHBondContact N-O 3.38Å; V75-L186 HydrophobicContact CG2-CD2 3.78Å; V75-L186 HydrophobicContact CG2-CG 3.9Å
76G96.6Very high97.9Very high55 Ų5535 Ų3557%0.56720%0.202SC*.THydrogen-bonded Turntrans74.53.8174.300000115.4G109 N110G76-G109 PolarHBondContact N-O 3.29Å; G76-N110 WeakPolarHBondContact CA-OD1 3.43Å
77L96.8Very high97.9Very high16 Ų1635.7 Ų35.78%0.08421%0.207CC..SBendtrans-88.4127.9173.5-16568.2000109.1Y74 V75 R79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.83Å; Y74-L77 HydrophobicContact CG-CD2 4.38Å; V75-L77 PolarHBondContact O-N 3.25Å; L77-R79 PolarHBondContact O-N 3.32Å; L77-H81 HydrophobicContact CD1-CB 4.25Å; L77-H81 HydrophobicContact CD2-CB 4.31Å; L77-H81 HydrophobicContact CG-CB 3.89Å; L77-N110 PolarHBondContact O-ND2 3.47Å; L77-N110 PolarHBondContact O-OD1 3.36Å; L77-F174 HydrophobicContact CD1-CE1 4.15Å; L77-F174 HydrophobicContact CD2-CE1 4.17Å; L77-F174 HydrophobicContact CD2-CZ 4.21Å; L77-P182 HydrophobicContact CB-CG 4.19Å; L77-P182 HydrophobicContact CD1-CG 4.28Å; L77-P182 HydrophobicContact CD2-CG 4.35Å
78P97.9Very high97.9Very high78 Ų7835.2 Ų35.251%0.50621%0.205SC..  trans-54.5135.9-179.2-26.233.6000111.6A80 H81P78-A80 PolarHBondContact O-N 3.36Å; P78-H81 HydrophobicContact CB-CB 4.24Å; P78-H81 WeakPolarHBondContact O-CB 3.27Å; P78-H81 PolarHBondContact O-N 2.92Å
79R97.4Very high97.9Very high131 Ų13135.2 Ų35.249%0.49421%0.205SC..THydrogen-bonded Turntrans-53.3-32.2179.8173.1176.6-87.9172.42.6113.7L77 S84 H86L77-R79 PolarHBondContact O-N 3.32Å; R79-S84 PolarHBondContact O-OG 2.81Å; R79-H86 HydrophobicContact CG-CB 3.77Å; R79-H86 PolarHBondContact NE-CE1 3.44Å; R79-H86 VanDerWaalsContact NE-CE1 3.25Å; R79-H86 PolarHBondContact NE-ND1 3.36Å; R79-H86 PolarHBondContact NH2-CE1 2.83Å
80A96.9Very high97.9Very high90 Ų9041.6 Ų41.674%0.74423%0.229SC*.THydrogen-bonded Turntrans-89.9-0.6178.700000113.6P78P78-A80 PolarHBondContact O-N 3.36Å
81H97.7Very high97.9Very high60 Ų6044.6 Ų44.628%0.27825%0.245SC..SBendtrans-61136.9175.9-172-84.7000109.1L77 P78 E83 S84 S87L77-H81 HydrophobicContact CD1-CB 4.25Å; L77-H81 HydrophobicContact CD2-CB 4.31Å; L77-H81 HydrophobicContact CG-CB 3.89Å; P78-H81 HydrophobicContact CB-CB 4.24Å; P78-H81 WeakPolarHBondContact O-CB 3.27Å; P78-H81 PolarHBondContact O-N 2.92Å; H81-E83 PolarHBondContact ND1-N 3.18Å; H81-E83 PolarHBondContact O-N 3.42Å; H81-S84 WeakPolarHBondContact O-CB 3.46Å; H81-S84 PolarHBondContact O-N 2.78Å; H81-S84 PolarHBondContact O-OG 3.22Å; H81-S87 WeakPolarHBondContact O-CB 3.39Å; H81-S87 PolarHBondContact O-OG 3.01Å
82P96.1Very high97.9Very high87 Ų8746 Ų4657%0.56525%0.252SS*.THydrogen-bonded Turntrans-57.4-34-175.520.3-33.1000113.4S87P82-S87 WeakPolarHBondContact O-CB 3.33Å
83E95.9Very high97.9Very high65 Ų6545.7 Ų45.730%0.30425%0.251SS..THydrogen-bonded Turntrans-90.64.4179.4-51.4-53.514300114.9H81 F173 F174H81-E83 PolarHBondContact ND1-N 3.18Å; H81-E83 PolarHBondContact O-N 3.42Å; E83-F173 HydrophobicContact CG-CB 4.17Å; E83-F173 WeakPolarHBondContact CG-O 3.37Å; E83-F173 WeakPolarHBondContact OE2-CB 3.43Å; E83-F174 HydrophobicContact CB-CE1 4.05Å; E83-F174 HydrophobicContact CB-CZ 3.91Å
84S98.2Very high97.9Very high0 Ų046.3 Ų46.30%025%0.254CS..SBendtrans-69.7151.3169.265.60000110.3R79 H81 H86 S87 Y88R79-S84 PolarHBondContact O-OG 2.81Å; H81-S84 WeakPolarHBondContact O-CB 3.46Å; H81-S84 PolarHBondContact O-N 2.78Å; H81-S84 PolarHBondContact O-OG 3.22Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact O-N 3.39Å; S84-S87 PolarHBondContact O-N 2.82Å; S84-S87 WeakPolarHBondContact OG-CB 3.44Å; S84-S87 PolarHBondContact OG-N 3.11Å; S84-S87 VanDerWaalsContact OG-N 3.08Å; S84-S87 PolarHBondContact OG-OG 2.99Å; S84-Y88 PolarHBondContact O-N 3.09Å
85Y98.4Very high97.9Very high29 Ų2950.8 Ų50.811%0.11427%0.273CS..Hα-helixtrans-72.2-26.1177.6-69-6.9000112T41 D72 E73 Y74 Y88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.99Å; T41-Y85 HydrophobicContact CG2-CG 3.72Å; T41-Y85 VanDerWaalsContact OG1-CE1 3.3Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.28Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.31Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; D72-Y85 HydrophobicContact CB-CE2 4.5Å; D72-Y85 WeakPolarHBondContact O-CD2 3.5Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.24Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.43Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.4Å; E73-Y85 PolarHBondContact OE1-N 3.24Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.19Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.19Å; E73-Y85 PolarHBondContact OE2-N 3.1Å; Y74-Y85 HydrophobicContact CD2-CE1 4.4Å; Y74-Y85 HydrophobicContact CE2-CD1 4.26Å; Y74-Y85 AromaticContact CE2-CE1 3.71Å; Y74-Y85 HydrophobicContact CE2-CE1 3.71Å; Y74-Y85 AromaticContact CE2-CZ 3.94Å; Y85-Y88 PolarHBondContact O-N 3.06Å; Y85-M89 WeakPolarHBondContact O-CB 3.47Å; Y85-M89 VanDerWaalsContact O-CG 3.31Å; Y85-M89 WeakPolarHBondContact O-CG 3.28Å; Y85-M89 PolarHBondContact O-N 2.93Å; Y85-F146 AromaticContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CZ 4.04Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.45Å
86H98.6Very high98Very high31 Ų3152.4 Ų52.414%0.14428%0.279CS..Hα-helixtrans-52.9-55.1162.3-80.3-83.4000111.9E73 R79 S84 M89 W90 L107E73-H86 IonicContact OE2-CD2 3.77Å; E73-H86 PolarHBondContact OE2-CD2 2.92Å; E73-H86 IonicContact OE2-CG 3.8Å; E73-H86 PolarHBondContact OE2-N 2.86Å; E73-H86 IonicContact OE2-NE2 3.44Å; R79-H86 HydrophobicContact CG-CB 3.77Å; R79-H86 PolarHBondContact NE-CE1 3.44Å; R79-H86 VanDerWaalsContact NE-CE1 3.25Å; R79-H86 PolarHBondContact NE-ND1 3.36Å; R79-H86 PolarHBondContact NH2-CE1 2.83Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact O-N 3.39Å; H86-M89 PolarHBondContact O-N 2.84Å; H86-W90 WeakPolarHBondContact O-CB 3.49Å; H86-W90 PolarHBondContact O-N 2.84Å; H86-L107 PolarHBondContact NE2-O 3.05Å
87S98.5Very high98.1Very high15 Ų1550.6 Ų50.611%0.10526%0.256CS..Hα-helixtrans-64.3-41178.2-75.70000112.8H81 P82 S84 N91H81-S87 WeakPolarHBondContact O-CB 3.39Å; H81-S87 PolarHBondContact O-OG 3.01Å; P82-S87 WeakPolarHBondContact O-CB 3.33Å; S84-S87 PolarHBondContact O-N 2.82Å; S84-S87 WeakPolarHBondContact OG-CB 3.44Å; S84-S87 PolarHBondContact OG-N 3.11Å; S84-S87 VanDerWaalsContact OG-N 3.08Å; S84-S87 PolarHBondContact OG-OG 2.99Å; S87-N91 VanDerWaalsContact O-CB 3.23Å; S87-N91 WeakPolarHBondContact O-CB 3.29Å; S87-N91 PolarHBondContact O-N 2.78Å; S87-N91 PolarHBondContact O-ND2 3Å
88Y98.6Very high98.2Very high37 Ų3752.7 Ų52.715%0.14527%0.267CS..Hα-helixtrans-58.1-53.8177.4177.1-79.8000110.5T41 G42 Y49 S84 Y85 W90 N91 N92T41-Y88 HydrophobicContact CG2-CD1 3.69Å; T41-Y88 HydrophobicContact CG2-CE1 4.17Å; T41-Y88 HydrophobicContact CG2-CG 4.29Å; G42-Y88 PolarHBondContact O-OH 3.35Å; Y49-Y88 HydrophobicContact CD2-CE1 4.36Å; Y49-Y88 HydrophobicContact CE2-CE1 4.01Å; S84-Y88 PolarHBondContact O-N 3.09Å; Y85-Y88 PolarHBondContact O-N 3.06Å; Y88-W90 PolarHBondContact O-N 2.69Å; Y88-N91 PolarHBondContact O-N 2.8Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.27Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.35Å; Y88-N92 HydrophobicContact CE1-CB 4.36Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y88-N92 VanDerWaalsContact O-CB 3.26Å; Y88-N92 WeakPolarHBondContact O-CB 3.36Å; Y88-N92 PolarHBondContact O-N 3.3Å; Y88-N92 PolarHBondContact O-ND2 3.48Å
89M98.8Very high98.2Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-66.3-41.1-175.6-71-55.4-64.200111.8L39 T41 Y49 N70 Y85 H86 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.2Å; L39-M89 HydrophobicContact CD1-CE 3.63Å; T41-M89 HydrophobicContact CG2-CG 4.14Å; T41-M89 HydrophobicContact CG2-SD 3.94Å; Y49-M89 HydrophobicContact CE1-CE 4.34Å; Y49-M89 HydrophobicContact CE2-SD 4.38Å; N70-M89 WeakPolarHBondContact ND2-CG 3.29Å; N70-M89 PolarHBondContact ND2-SD 3.29Å; Y85-M89 WeakPolarHBondContact O-CB 3.47Å; Y85-M89 VanDerWaalsContact O-CG 3.31Å; Y85-M89 WeakPolarHBondContact O-CG 3.28Å; Y85-M89 PolarHBondContact O-N 2.93Å; H86-M89 PolarHBondContact O-N 2.84Å; M89-F93 HydrophobicContact CE-CB 4.45Å; M89-F93 HydrophobicContact CE-CD1 4Å; M89-F93 CarbonylContact O-C 3.53Å; M89-F93 PolarHBondContact O-N 2.88Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.5Å; M89-F94 VanDerWaalsContact CB-CE2 3.5Å; M89-F94 HydrophobicContact CB-CZ 3.98Å; M89-F94 HydrophobicContact CE-CD1 4.35Å; M89-F94 HydrophobicContact CE-CE1 3.53Å; M89-F94 HydrophobicContact CE-CE2 4.14Å; M89-F94 HydrophobicContact CE-CZ 3.4Å; M89-F94 VanDerWaalsContact CE-CZ 3.4Å; M89-F94 HydrophobicContact CG-CE2 4.25Å; M89-F94 HydrophobicContact CG-CZ 4.35Å; M89-F94 PolarHBondContact O-N 2.82Å; M89-I106 HydrophobicContact CB-CD1 3.85Å; M89-I106 HydrophobicContact CG-CD1 3.91Å
90W98.7Very high98.3Very high135 Ų13547 Ų4751%0.51124%0.243SC..Hα-helixtrans-60.3-49.3175.4-178.6-109.9000111.8H86 Y88 F94 K95H86-W90 WeakPolarHBondContact O-CB 3.49Å; H86-W90 PolarHBondContact O-N 2.84Å; Y88-W90 PolarHBondContact O-N 2.69Å; W90-F94 HydrophobicContact CE3-CB 4.04Å; W90-F94 HydrophobicContact CZ3-CB 4.46Å; W90-K95 HydrophobicContact CD2-CB 4.01Å; W90-K95 HydrophobicContact CE3-CB 4.31Å; W90-K95 HydrophobicContact CH2-CB 4.11Å; W90-K95 HydrophobicContact CZ2-CB 3.79Å; W90-K95 HydrophobicContact CZ3-CB 4.36Å; W90-K95 WeakPolarHBondContact O-CB 3.37Å; W90-K95 WeakPolarHBondContact O-CD 3.4Å; W90-K95 WeakPolarHBondContact O-CG 3.12Å; W90-K95 PolarHBondContact O-N 3.44Å
91N98.6Very high98.3Very high63 Ų6347.1 Ų47.134%0.33724%0.235SC..Hα-helixtrans-77.3-33-172.2-73.2-48.9000114.1S87 Y88 K95 H96S87-N91 VanDerWaalsContact O-CB 3.23Å; S87-N91 WeakPolarHBondContact O-CB 3.29Å; S87-N91 PolarHBondContact O-N 2.78Å; S87-N91 PolarHBondContact O-ND2 3Å; Y88-N91 PolarHBondContact O-N 2.8Å; N91-K95 VanDerWaalsContact O-CE 3.28Å; N91-K95 WeakPolarHBondContact O-CE 3.3Å; N91-K95 PolarHBondContact OD1-NZ 3.12Å; N91-H96 PolarHBondContact O-NE2 2.59Å
92N98.8Very high98.3Very high40 Ų4047.5 Ų47.521%0.21425%0.249CC..Hα-helixtrans-99.4-14.3-173.9-61.2-49.5000113.4Y46 I53 Y88Y46-N92 HydrophobicContact CD2-CB 4.43Å; Y46-N92 HydrophobicContact CE2-CB 4.42Å; I53-N92 WeakPolarHBondContact CD1-O 3.25Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.27Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.35Å; Y88-N92 HydrophobicContact CE1-CB 4.36Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y88-N92 VanDerWaalsContact O-CB 3.26Å; Y88-N92 WeakPolarHBondContact O-CB 3.36Å; Y88-N92 PolarHBondContact O-N 3.3Å; Y88-N92 PolarHBondContact O-ND2 3.48Å
93F98.9Very high98.5Very high0 Ų044.1 Ų44.10%023%0.226CC..THydrogen-bonded Turntrans-141.4-68.9-178-168.8-137000114.1L39 Y49 L52 I53 F63 M89 K95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.16Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; Y49-F93 HydrophobicContact CD1-CB 3.95Å; Y49-F93 AromaticContact CD1-CD1 3.71Å; Y49-F93 HydrophobicContact CD1-CD1 3.71Å; Y49-F93 AromaticContact CD1-CD2 3.57Å; Y49-F93 HydrophobicContact CD1-CD2 3.57Å; Y49-F93 HydrophobicContact CD1-CE1 4.04Å; Y49-F93 AromaticContact CD1-CE2 3.92Å; Y49-F93 HydrophobicContact CD1-CE2 3.92Å; Y49-F93 AromaticContact CD1-CG 3.47Å; Y49-F93 HydrophobicContact CD1-CG 3.47Å; Y49-F93 VanDerWaalsContact CD1-CG 3.47Å; Y49-F93 HydrophobicContact CD1-CZ 4.14Å; Y49-F93 HydrophobicContact CE1-CB 4.39Å; Y49-F93 AromaticContact CE1-CD1 3.66Å; Y49-F93 HydrophobicContact CE1-CD1 3.66Å; Y49-F93 HydrophobicContact CE1-CD2 4.37Å; Y49-F93 AromaticContact CE1-CE1 3.94Å; Y49-F93 HydrophobicContact CE1-CE1 3.94Å; Y49-F93 AromaticContact CE1-CG 3.91Å; Y49-F93 HydrophobicContact CE1-CG 3.91Å; Y49-F93 HydrophobicContact CE1-CZ 4.41Å; Y49-F93 HydrophobicContact CG-CB 4.12Å; Y49-F93 HydrophobicContact CG-CD2 4.17Å; Y49-F93 HydrophobicContact CG-CG 4.09Å; L52-F93 HydrophobicContact CB-CE2 3.83Å; L52-F93 HydrophobicContact CB-CZ 4.39Å; L52-F93 HydrophobicContact CD1-CE2 4.18Å; L52-F93 HydrophobicContact CD1-CZ 4.06Å; I53-F93 HydrophobicContact CD1-CD2 4.37Å; I53-F93 HydrophobicContact CG1-CD2 4.07Å; I53-F93 HydrophobicContact CG1-CE2 4.49Å; F63-F93 HydrophobicContact CD1-CZ 4.34Å; F63-F93 AromaticContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE1-CZ 3.73Å; F63-F93 HydrophobicContact CE2-CZ 4.36Å; F63-F93 HydrophobicContact CZ-CE2 4.17Å; F63-F93 AromaticContact CZ-CZ 3.73Å; F63-F93 HydrophobicContact CZ-CZ 3.73Å; M89-F93 HydrophobicContact CE-CB 4.45Å; M89-F93 HydrophobicContact CE-CD1 4Å; M89-F93 CarbonylContact O-C 3.53Å; M89-F93 PolarHBondContact O-N 2.88Å; F93-K95 PolarHBondContact O-N 2.87Å; F93-H96 WeakPolarHBondContact O-CB 3.43Å; F93-H96 PolarHBondContact O-N 3.47Å; F93-I97 HydrophobicContact CD1-CD1 4.19Å; F93-I97 HydrophobicContact CD2-CD1 4.27Å; F93-I97 HydrophobicContact CD2-CG2 4.37Å; F93-I97 HydrophobicContact CE1-CD1 3.78Å; F93-I97 HydrophobicContact CE2-CD1 3.86Å; F93-I97 HydrophobicContact CE2-CG2 4.01Å; F93-I97 HydrophobicContact CG-CD1 4.41Å; F93-I97 HydrophobicContact CZ-CD1 3.61Å
94F98.8Very high98.6Very high14 Ų1442.2 Ų42.26%0.06122%0.222CC..G310 helixtrans-60.6-38.7-162.8-60.8-28.7000114.5L39 T68 M89 W90 H96 I97 I99 A104 I106L39-F94 HydrophobicContact CD1-CE1 4.13Å; T68-F94 HydrophobicContact CG2-CE1 4.19Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.44Å; M89-F94 HydrophobicContact CB-CD2 3.8Å; M89-F94 HydrophobicContact CB-CE2 3.5Å; M89-F94 VanDerWaalsContact CB-CE2 3.5Å; M89-F94 HydrophobicContact CB-CZ 3.98Å; M89-F94 HydrophobicContact CE-CD1 4.35Å; M89-F94 HydrophobicContact CE-CE1 3.53Å; M89-F94 HydrophobicContact CE-CE2 4.14Å; M89-F94 HydrophobicContact CE-CZ 3.4Å; M89-F94 VanDerWaalsContact CE-CZ 3.4Å; M89-F94 HydrophobicContact CG-CE2 4.25Å; M89-F94 HydrophobicContact CG-CZ 4.35Å; M89-F94 PolarHBondContact O-N 2.82Å; W90-F94 HydrophobicContact CE3-CB 4.04Å; W90-F94 HydrophobicContact CZ3-CB 4.46Å; F94-H96 PolarHBondContact O-N 3Å; F94-H96 VanDerWaalsContact O-N 3.14Å; F94-I97 HydrophobicContact CD1-CD1 4.46Å; F94-I97 WeakPolarHBondContact O-CG1 3.48Å; F94-I97 PolarHBondContact O-N 3.45Å; F94-I99 HydrophobicContact CB-CG2 4.25Å; F94-I99 HydrophobicContact CD1-CG2 4.23Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; F94-A104 HydrophobicContact CD2-CB 4.1Å; F94-A104 HydrophobicContact CE2-CB 3.81Å; F94-A104 HydrophobicContact CZ-CB 4.09Å; F94-I106 HydrophobicContact CE2-CD1 4.04Å
95K98.6Very high98.6Very high97 Ų9744 Ų4442%0.42223%0.23SC..G310 helixtrans-70.4-7.918079.9-172.6179-174.40114.6W90 N91 F93W90-K95 HydrophobicContact CD2-CB 4.01Å; W90-K95 HydrophobicContact CE3-CB 4.31Å; W90-K95 HydrophobicContact CH2-CB 4.11Å; W90-K95 HydrophobicContact CZ2-CB 3.79Å; W90-K95 HydrophobicContact CZ3-CB 4.36Å; W90-K95 WeakPolarHBondContact O-CB 3.37Å; W90-K95 WeakPolarHBondContact O-CD 3.4Å; W90-K95 WeakPolarHBondContact O-CG 3.12Å; W90-K95 PolarHBondContact O-N 3.44Å; N91-K95 VanDerWaalsContact O-CE 3.28Å; N91-K95 WeakPolarHBondContact O-CE 3.3Å; N91-K95 PolarHBondContact OD1-NZ 3.12Å; F93-K95 PolarHBondContact O-N 2.87Å
96H98.8Very high98.7Very high58 Ų5843.5 Ų43.527%0.26923%0.229SC..G310 helixtrans-1071.1-176.2-56.6-76.6000113.4I53 H56 R57 N91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.75Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.9Å; H56-H96 PolarHBondContact CD2-O 3.25Å; R57-H96 PolarHBondContact NH2-ND1 2.83Å; N91-H96 PolarHBondContact O-NE2 2.59Å; F93-H96 WeakPolarHBondContact O-CB 3.43Å; F93-H96 PolarHBondContact O-N 3.47Å; F94-H96 PolarHBondContact O-N 3Å; F94-H96 VanDerWaalsContact O-N 3.14Å
97I98.9Very high98.7Very high17 Ų1742 Ų429%0.08722%0.222CC..SBendtrans-129.5169.8-178.159.2167.1000111I53 H56 F63 F93 F94 I99I53-I97 HydrophobicContact CG1-CG2 4.15Å; H56-I97 HydrophobicContact CB-CG2 4.06Å; F63-I97 HydrophobicContact CB-CD1 3.96Å; F63-I97 HydrophobicContact CD1-CD1 4.08Å; F63-I97 HydrophobicContact CD2-CB 3.82Å; F63-I97 HydrophobicContact CD2-CD1 3.81Å; F63-I97 HydrophobicContact CD2-CG1 4.4Å; F63-I97 HydrophobicContact CD2-CG2 3.91Å; F63-I97 HydrophobicContact CE2-CB 4.36Å; F63-I97 HydrophobicContact CE2-CD1 4.32Å; F63-I97 HydrophobicContact CE2-CG2 3.93Å; F63-I97 HydrophobicContact CG-CB 4.43Å; F63-I97 HydrophobicContact CG-CD1 3.68Å; F93-I97 HydrophobicContact CD1-CD1 4.19Å; F93-I97 HydrophobicContact CD2-CD1 4.27Å; F93-I97 HydrophobicContact CD2-CG2 4.37Å; F93-I97 HydrophobicContact CE1-CD1 3.78Å; F93-I97 HydrophobicContact CE2-CD1 3.86Å; F93-I97 HydrophobicContact CE2-CG2 4.01Å; F93-I97 HydrophobicContact CG-CD1 4.41Å; F93-I97 HydrophobicContact CZ-CD1 3.61Å; F94-I97 HydrophobicContact CD1-CD1 4.46Å; F94-I97 WeakPolarHBondContact O-CG1 3.48Å; F94-I97 PolarHBondContact O-N 3.45Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 HydrophobicContact CD1-CB 3.89Å; I97-I99 HydrophobicContact CD1-CG2 3.76Å; I97-I99 HydrophobicContact CG1-CB 4.23Å; I97-I99 HydrophobicContact CG1-CG2 3.85Å; I97-I99 PolarHBondContact O-N 3.3Å
98D98.8Very high98.7Very high59 Ų5943.4 Ų43.432%0.31623%0.229SC..  trans-90.825-178.467.7-27.6000114.2H56 S62 F63H56-D98 IonicContact CE1-OD1 3.99Å; H56-D98 PolarHBondContact CE1-OD1 2.87Å; H56-D98 IonicContact CE1-OD2 3.71Å; H56-D98 IonicContact ND1-OD1 3.02Å; H56-D98 PolarHBondContact ND1-OD1 3.18Å; H56-D98 PolarHBondContact NE2-N 3.28Å; S62-D98 WeakPolarHBondContact CB-OD2 3.32Å; S62-D98 PolarHBondContact OG-OD2 2.89Å; F63-D98 PolarHBondContact N-OD1 3.31Å
99I98.8Very high98.7Very high14 Ų1441.7 Ų41.77%0.07222%0.222CC..  trans-67.2136.5174-164170.7000110.2F63 T68 F94 I97 P101 A104F63-I99 HydrophobicContact CB-CB 3.95Å; T68-I99 HydrophobicContact CG2-CD1 3.6Å; F94-I99 HydrophobicContact CB-CG2 4.25Å; F94-I99 HydrophobicContact CD1-CG2 4.23Å; F94-I99 HydrophobicContact CG-CG2 4.47Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 HydrophobicContact CD1-CB 3.89Å; I97-I99 HydrophobicContact CD1-CG2 3.76Å; I97-I99 HydrophobicContact CG1-CB 4.23Å; I97-I99 HydrophobicContact CG1-CG2 3.85Å; I97-I99 PolarHBondContact O-N 3.3Å; I99-P101 WeakPolarHBondContact O-CD 3.4Å; I99-A104 HydrophobicContact CD1-CB 4.4Å
100D98.5Very high98.6Very high77 Ų7745.3 Ų45.341%0.41224%0.241SC..  trans-69124.7169.3-175.8-22.5000109.2A102 N103D100-A102 PolarHBondContact O-N 3.16Å; D100-A102 VanDerWaalsContact O-N 3.1Å; D100-A102 WeakPolarHBondContact OD1-CB 3.4Å; D100-A102 PolarHBondContact OD1-N 3.02Å; D100-N103 HydrophobicContact CB-CB 4.36Å; D100-N103 WeakPolarHBondContact O-CA 3.49Å; D100-N103 WeakPolarHBondContact O-CB 3.3Å; D100-N103 PolarHBondContact O-N 3.23Å
101P97.9Very high98.6Very high91 Ų9140 Ų4059%0.59123%0.226SC*.G310 helixtrans-53.6-30177-27.235.4000114.3I99 N103 A104I99-P101 WeakPolarHBondContact O-CD 3.4Å; P101-N103 PolarHBondContact O-N 3.3Å; P101-A104 PolarHBondContact O-N 3.39Å
102A98.2Very high98.6Very high69 Ų6947 Ų4757%0.5726%0.257SS*.G310 helixtrans-67.9-18.7176.400000113.2D100 H105D100-A102 PolarHBondContact O-N 3.16Å; D100-A102 VanDerWaalsContact O-N 3.1Å; D100-A102 WeakPolarHBondContact OD1-CB 3.4Å; D100-A102 PolarHBondContact OD1-N 3.02Å; A102-H105 PolarHBondContact O-CE1 3.36Å
103N98.8Very high98.6Very high15 Ų1549.6 Ų49.68%0.0827%0.271CS..G310 helixtrans-97.13.2176.7-69.8-37.1000112.8Y34 V66 K67 T68 D100 P101Y34-N103 WeakPolarHBondContact CE1-ND2 3.35Å; V66-N103 WeakPolarHBondContact O-CB 3.46Å; K67-N103 CarbonylContact C-O 3.32Å; K67-N103 VanDerWaalsContact CA-O 3.29Å; K67-N103 WeakPolarHBondContact CA-O 3.45Å; K67-N103 HydrophobicContact CB-CB 4.49Å; K67-N103 VanDerWaalsContact CE-OD1 3.24Å; K67-N103 WeakPolarHBondContact CE-OD1 3.44Å; K67-N103 HydrophobicContact CG-CB 3.79Å; T68-N103 PolarHBondContact N-O 3.4Å; D100-N103 HydrophobicContact CB-CB 4.36Å; D100-N103 WeakPolarHBondContact O-CA 3.49Å; D100-N103 WeakPolarHBondContact O-CB 3.3Å; D100-N103 PolarHBondContact O-N 3.23Å; P101-N103 PolarHBondContact O-N 3.3Å
104A98.7Very high98.5Very high25 Ų2551.4 Ų51.421%0.20728%0.28CS..EExtended strand (participates in β ladder)trans-102.8106175.900000110.9T68 F94 I99 P101T68-A104 WeakPolarHBondContact OG1-CA 3.34Å; F94-A104 HydrophobicContact CD2-CB 4.1Å; F94-A104 HydrophobicContact CE2-CB 3.81Å; F94-A104 HydrophobicContact CZ-CB 4.09Å; I99-A104 HydrophobicContact CD1-CB 4.4Å; P101-A104 PolarHBondContact O-N 3.39Å
105H98.9Very high98.5Very high37 Ų3757.3 Ų57.317%0.17131%0.308CS..EExtended strand (participates in β ladder)trans-106.5125.8-175-50.1-64.4000111.2T68 F69 N70 A102 Y121T68-H105 WeakPolarHBondContact O-CA 3.49Å; T68-H105 VanDerWaalsContact O-CB 3.3Å; T68-H105 WeakPolarHBondContact O-CB 3.36Å; T68-H105 PolarHBondContact O-CD2 3.18Å; T68-H105 VanDerWaalsContact O-CD2 3.28Å; T68-H105 PolarHBondContact O-N 2.88Å; F69-H105 WeakPolarHBondContact CA-O 3.45Å; F69-H105 HydrophobicContact CD1-CB 3.71Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.92Å; F69-H105 AromaticContact CE1-CD2 3.34Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.45Å; F69-H105 AromaticContact CE1-CG 3.77Å; F69-H105 AromaticContact CE2-CD2 3.86Å; F69-H105 HydrophobicContact CG-CB 4.37Å; F69-H105 AromaticContact CZ-CD2 3.35Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.35Å; F69-H105 AromaticContact CZ-NE2 3.95Å; N70-H105 PolarHBondContact N-O 3.07Å; A102-H105 PolarHBondContact O-CE1 3.36Å; H105-Y121 HydrophobicContact CB-CE2 4.01Å; H105-Y121 PolarHBondContact O-OH 2.93Å; H105-Y121 VanDerWaalsContact O-OH 3.11Å
106I98.9Very high98.5Very high19 Ų1955 Ų5510%0.09731%0.308CS..  trans-136.2138.8172.7-52.7179.9000106.5N70 E73 M89 F94N70-I106 HydrophobicContact CB-CB 4.35Å; N70-I106 HydrophobicContact CB-CG1 3.93Å; N70-I106 HydrophobicContact CB-CG2 4.2Å; E73-I106 HydrophobicContact CB-CG2 4.21Å; M89-I106 HydrophobicContact CB-CD1 3.85Å; M89-I106 HydrophobicContact CG-CD1 3.91Å; F94-I106 HydrophobicContact CE2-CD1 4.04Å
107L98.8Very high98.5Very high0 Ų053.6 Ų53.60%030%0.301CS..  trans-52.8142.7175.5-77.6155.9000111.5E73 H86 G109 E117 Y121 T157 L186E73-L107 HydrophobicContact CB-CB 4.11Å; E73-L107 WeakPolarHBondContact CB-O 3.45Å; H86-L107 PolarHBondContact NE2-O 3.05Å; L107-G109 PolarHBondContact O-N 3.17Å; L107-E117 HydrophobicContact CD2-CG 4.21Å; L107-Y121 HydrophobicContact CD1-CD1 4.5Å; L107-Y121 HydrophobicContact CD1-CE1 4.49Å; L107-Y121 HydrophobicContact CD2-CD1 4.08Å; L107-Y121 HydrophobicContact CD2-CD2 3.82Å; L107-Y121 HydrophobicContact CD2-CE2 4.49Å; L107-Y121 HydrophobicContact CD2-CG 3.59Å; L107-Y121 HydrophobicContact CG-CD1 4.14Å; L107-Y121 HydrophobicContact CG-CD2 3.89Å; L107-Y121 HydrophobicContact CG-CE1 4.26Å; L107-Y121 HydrophobicContact CG-CE2 4.07Å; L107-Y121 HydrophobicContact CG-CG 3.94Å; L107-T157 HydrophobicContact CD1-CG2 4.07Å; L107-T157 HydrophobicContact CD2-CG2 3.9Å; L107-L186 HydrophobicContact CB-CB 3.93Å; L107-L186 HydrophobicContact CB-CD1 4.13Å; L107-L186 HydrophobicContact CD1-CB 3.77Å; L107-L186 HydrophobicContact CD2-CB 4.14Å; L107-L186 HydrophobicContact CD2-CD1 4.18Å; L107-L186 HydrophobicContact CG-CB 4.16Å
108D98.6Very high98.5Very high45 Ų4552.9 Ų52.924%0.24130%0.297CS..  trans-91.393.3172.3-169.3-0.6000111.8N110 A111 E117 L186D108-N110 PolarHBondContact O-N 3.05Å; D108-N110 PolarHBondContact OD1-N 2.86Å; D108-A111 HydrophobicContact CB-CB 4.32Å; D108-A111 WeakPolarHBondContact O-CB 3.4Å; D108-A111 PolarHBondContact O-N 3.44Å; D108-A111 VanDerWaalsContact O-N 3.13Å; D108-E117 HydrophobicContact CB-CG 4.17Å; D108-E117 PolarHBondContact N-OE1 3.28Å; D108-L186 VanDerWaalsContact O-CD1 3.3Å; D108-L186 WeakPolarHBondContact O-CD1 3.3Å
109G98.4Very high98.5Very high1 Ų153.8 Ų53.81%0.0130%0.302CS..THydrogen-bonded Turntrans-64.1-5.7175.900000115.3Y74 V75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.18Å; V75-G109 CarbonylContact C-O 3.53Å; V75-G109 VanDerWaalsContact CA-O 3.26Å; V75-G109 WeakPolarHBondContact CA-O 3.34Å; G76-G109 PolarHBondContact N-O 3.29Å; L107-G109 PolarHBondContact O-N 3.17Å
110N98.3Very high98.5Very high75 Ų7554.5 Ų54.540%0.40131%0.31SS..THydrogen-bonded Turntrans-112.212.9175.8-57.4-77.3000113G76 L77 D108G76-N110 WeakPolarHBondContact CA-OD1 3.43Å; L77-N110 PolarHBondContact O-ND2 3.47Å; L77-N110 PolarHBondContact O-OD1 3.36Å; D108-N110 PolarHBondContact O-N 3.05Å; D108-N110 PolarHBondContact OD1-N 2.86Å
111A98.3Very high98.5Very high24 Ų2450.9 Ų50.920%0.19829%0.291CS..  trans-59.5143.4174.100000111.4D108 D113 L114 E117D108-A111 HydrophobicContact CB-CB 4.32Å; D108-A111 WeakPolarHBondContact O-CB 3.4Å; D108-A111 PolarHBondContact O-N 3.44Å; D108-A111 VanDerWaalsContact O-N 3.13Å; A111-D113 VanDerWaalsContact C-N 3.32Å; A111-D113 PolarHBondContact O-N 2.94Å; A111-L114 HydrophobicContact CB-CD2 4.34Å; A111-L114 WeakPolarHBondContact O-CD2 3.23Å; A111-E117 HydrophobicContact CB-CB 3.78Å; A111-E117 HydrophobicContact CB-CG 4.2Å
112E97.6Very high98.6Very high210 Ų21047.6 Ų47.698%0.98127%0.268SS*.SBendtrans-63.9-39.5177.3-66.1-175.3169.800111.7
113D98.4Very high98.6Very high95 Ų9550.9 Ų50.951%0.50827%0.271SS..SBendtrans-11599.9173.3-173.4-22.6000109.6A111 E115 A116 E117A111-D113 VanDerWaalsContact C-N 3.32Å; A111-D113 PolarHBondContact O-N 2.94Å; D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 2.94Å; D113-E115 PolarHBondContact OD1-N 3.46Å; D113-A116 HydrophobicContact CB-CB 3.83Å; D113-A116 VanDerWaalsContact CG-CB 3.45Å; D113-A116 PolarHBondContact O-N 3.27Å; D113-A116 PolarHBondContact OD1-N 3.27Å; D113-E117 PolarHBondContact O-N 2.89Å
114L98.3Very high98.6Very high37 Ų3754.2 Ų54.219%0.19429%0.285CS..Hα-helixtrans-67.3-31.3-177.5-61.7-178.6000112.9V75 A111 C118 V159 L186V75-L114 HydrophobicContact CG1-CD1 3.75Å; V75-L114 HydrophobicContact CG1-CD2 4.44Å; V75-L114 HydrophobicContact CG2-CD1 4.07Å; A111-L114 HydrophobicContact CB-CD2 4.34Å; A111-L114 WeakPolarHBondContact O-CD2 3.23Å; L114-C118 PolarHBondContact O-N 2.87Å; L114-C118 VanDerWaalsContact O-N 3.09Å; L114-C118 PolarHBondContact O-SG 2.86Å; L114-V159 HydrophobicContact CB-CG2 3.63Å; L114-V159 HydrophobicContact CD1-CG2 3.96Å; L114-V159 HydrophobicContact CG-CG2 4.46Å; L114-L186 HydrophobicContact CB-CD2 3.96Å; L114-L186 HydrophobicContact CD1-CD2 4.39Å; L114-L186 HydrophobicContact CD2-CD1 4.28Å; L114-L186 HydrophobicContact CD2-CD2 4.16Å; L114-L186 HydrophobicContact CG-CD2 4.39Å
115E98.4Very high98.6Very high139 Ų13953.6 Ų53.665%0.6528%0.278SS*.Hα-helixtrans-73.6-42178.2-175.1174-174.200110.3D113 E117 C118 N119D113-E115 VanDerWaalsContact C-N 3.32Å; D113-E115 PolarHBondContact O-N 2.94Å; D113-E115 PolarHBondContact OD1-N 3.46Å; E115-E117 VanDerWaalsContact C-N 3.33Å; E115-E117 PolarHBondContact O-N 3.16Å; E115-C118 PolarHBondContact O-N 3.18Å; E115-N119 PolarHBondContact O-N 2.89Å; E115-N119 PolarHBondContact O-ND2 2.93Å
116A98.7Very high98.6Very high49 Ų4955.2 Ų55.241%0.40530%0.298SS..Hα-helixtrans-60.2-41.6172.600000112.1D113 N119 A120D113-A116 HydrophobicContact CB-CB 3.83Å; D113-A116 VanDerWaalsContact CG-CB 3.45Å; D113-A116 PolarHBondContact O-N 3.27Å; D113-A116 PolarHBondContact OD1-N 3.27Å; A116-N119 PolarHBondContact O-N 3.09Å; A116-A120 VanDerWaalsContact O-CB 3.32Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.44Å
117E98.8Very high98.6Very high28 Ų2858.6 Ų58.613%0.13133%0.329CS..Hα-helixtrans-61.5-44.7174.9171.556.8-165.500111.8L107 D108 A111 D113 E115 N119 A120 Y121 L186L107-E117 HydrophobicContact CD2-CG 4.21Å; D108-E117 HydrophobicContact CB-CG 4.17Å; D108-E117 PolarHBondContact N-OE1 3.28Å; A111-E117 HydrophobicContact CB-CB 3.78Å; A111-E117 HydrophobicContact CB-CG 4.2Å; D113-E117 PolarHBondContact O-N 2.89Å; E115-E117 VanDerWaalsContact C-N 3.33Å; E115-E117 PolarHBondContact O-N 3.16Å; E117-N119 PolarHBondContact O-N 3.1Å; E117-A120 PolarHBondContact O-N 3.11Å; E117-Y121 WeakPolarHBondContact O-CB 3.35Å; E117-Y121 PolarHBondContact O-N 2.71Å; E117-L186 HydrophobicContact CB-CD1 4.47Å; E117-L186 HydrophobicContact CG-CD1 3.83Å
118C98.8Very high98.6Very high1 Ų159.8 Ų59.81%0.00734%0.339CS..Hα-helixtrans-60.8-44.4176.4-72.70000112.2L114 E115 Y121 E122 T157 R158L114-C118 PolarHBondContact O-N 2.87Å; L114-C118 VanDerWaalsContact O-N 3.09Å; L114-C118 PolarHBondContact O-SG 2.86Å; E115-C118 PolarHBondContact O-N 3.18Å; C118-Y121 WeakPolarHBondContact O-CB 3.45Å; C118-Y121 PolarHBondContact O-N 3.29Å; C118-E122 PolarHBondContact O-N 3.4Å; C118-E122 VanDerWaalsContact O-N 3.16Å; C118-T157 HydrophobicContact CB-CG2 3.87Å; C118-T157 WeakPolarHBondContact CB-O 3.2Å; C118-R158 VanDerWaalsContact SG-CA 3.56Å
119N98.8Very high98.6Very high79 Ų7960.6 Ų60.642%0.42236%0.358SS..Hα-helixtrans-64.9-41176.5-72.7-36.8000112E115 A116 E117 Y121 E122 Q123E115-N119 PolarHBondContact O-N 2.89Å; E115-N119 PolarHBondContact O-ND2 2.93Å; A116-N119 PolarHBondContact O-N 3.09Å; E117-N119 PolarHBondContact O-N 3.1Å; N119-Y121 VanDerWaalsContact C-N 3.27Å; N119-Y121 PolarHBondContact O-N 3.08Å; N119-E122 PolarHBondContact O-N 3.49Å; N119-Q123 WeakPolarHBondContact O-CG 3.23Å; N119-Q123 PolarHBondContact O-N 3.4Å
120A98.8Very high98.6Very high29 Ų2961.6 Ų61.624%0.2437%0.368CS..Hα-helixtrans-63.9-35.1175.400000111.6A116 E117 Q123 K124A116-A120 VanDerWaalsContact O-CB 3.32Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.44Å; E117-A120 PolarHBondContact O-N 3.11Å; A120-Q123 PolarHBondContact O-N 3.2Å; A120-K124 VanDerWaalsContact O-CG 3.31Å; A120-K124 WeakPolarHBondContact O-CG 3.25Å; A120-K124 PolarHBondContact O-N 2.86Å
121Y98.9Very high98.6Very high1 Ų158.2 Ų58.20%0.00435%0.35CS..Hα-helixtrans-64-45175.9-158.3-103.9000112.1F69 N70 H105 L107 E117 C118 N119 Q123 K124 I125 T157 V188F69-Y121 VanDerWaalsContact C-OH 3.29Å; F69-Y121 WeakPolarHBondContact CA-OH 3.2Å; F69-Y121 HydrophobicContact CD1-CE1 4.32Å; F69-Y121 HydrophobicContact CD1-CE2 4.38Å; F69-Y121 AromaticContact CD1-CZ 3.99Å; N70-Y121 PolarHBondContact N-OH 2.97Å; N70-Y121 PolarHBondContact O-OH 2.83Å; H105-Y121 HydrophobicContact CB-CE2 4.01Å; H105-Y121 PolarHBondContact O-OH 2.93Å; H105-Y121 VanDerWaalsContact O-OH 3.11Å; L107-Y121 HydrophobicContact CD1-CD1 4.5Å; L107-Y121 HydrophobicContact CD1-CE1 4.49Å; L107-Y121 HydrophobicContact CD2-CD1 4.08Å; L107-Y121 HydrophobicContact CD2-CD2 3.82Å; L107-Y121 HydrophobicContact CD2-CE2 4.49Å; L107-Y121 HydrophobicContact CD2-CG 3.59Å; L107-Y121 HydrophobicContact CG-CD1 4.14Å; L107-Y121 HydrophobicContact CG-CD2 3.89Å; L107-Y121 HydrophobicContact CG-CE1 4.26Å; L107-Y121 HydrophobicContact CG-CE2 4.07Å; L107-Y121 HydrophobicContact CG-CG 3.94Å; E117-Y121 WeakPolarHBondContact O-CB 3.35Å; E117-Y121 PolarHBondContact O-N 2.71Å; C118-Y121 WeakPolarHBondContact O-CB 3.45Å; C118-Y121 PolarHBondContact O-N 3.29Å; N119-Y121 VanDerWaalsContact C-N 3.27Å; N119-Y121 PolarHBondContact O-N 3.08Å; Y121-Q123 VanDerWaalsContact C-N 3.32Å; Y121-Q123 PolarHBondContact O-N 2.83Å; Y121-K124 WeakPolarHBondContact O-CB 3.42Å; Y121-K124 PolarHBondContact O-N 2.69Å; Y121-I125 HydrophobicContact CD1-CD1 3.94Å; Y121-I125 HydrophobicContact CE1-CD1 3.98Å; Y121-I125 WeakPolarHBondContact O-CG1 3.37Å; Y121-I125 PolarHBondContact O-N 2.93Å; Y121-T157 HydrophobicContact CD1-CG2 4.28Å; Y121-V188 HydrophobicContact CD1-CG1 4.27Å; Y121-V188 HydrophobicContact CE1-CG1 3.86Å
122E98.9Very high98.6Very high22 Ų2258 Ų5810%0.10335%0.345CS..Hα-helixtrans-60.5-41173.8-67.6-72-16900112.2C118 N119 K124 I125 A126 R156 T157 T192C118-E122 PolarHBondContact O-N 3.4Å; C118-E122 VanDerWaalsContact O-N 3.16Å; N119-E122 PolarHBondContact O-N 3.49Å; E122-K124 PolarHBondContact O-N 3.02Å; E122-I125 PolarHBondContact O-N 2.74Å; E122-A126 WeakPolarHBondContact O-CB 3.45Å; E122-A126 PolarHBondContact O-N 3.37Å; E122-R156 IonicContact OE1-CZ 3.66Å; E122-R156 IonicContact OE1-NE 2.66Å; E122-R156 PolarHBondContact OE1-NE 2.86Å; E122-R156 IonicContact OE1-NH2 3.44Å; E122-R156 IonicContact OE2-CZ 2.65Å; E122-R156 IonicContact OE2-NE 3.51Å; E122-R156 IonicContact OE2-NH2 2.95Å; E122-R156 PolarHBondContact OE2-NH2 2.73Å; E122-T157 WeakPolarHBondContact OE1-CB 3.39Å; E122-T157 PolarHBondContact OE1-N 3.18Å; E122-T157 PolarHBondContact OE1-OG1 3.44Å; E122-T192 WeakPolarHBondContact OE1-CG2 3.17Å; E122-T192 PolarHBondContact OE1-OG1 3.45Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.34Å
123Q98.8Very high98.7Very high137 Ų13748 Ų4864%0.6430%0.298SS*.Hα-helixtrans-64-38.6175.4-69.9171.49.300112.2N119 A120 Y121 A126 A127N119-Q123 WeakPolarHBondContact O-CG 3.23Å; N119-Q123 PolarHBondContact O-N 3.4Å; A120-Q123 PolarHBondContact O-N 3.2Å; Y121-Q123 VanDerWaalsContact C-N 3.32Å; Y121-Q123 PolarHBondContact O-N 2.83Å; Q123-A126 PolarHBondContact O-N 3.48Å; Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.21Å; Q123-A127 PolarHBondContact O-N 3.15Å
124K98.8Very high98.7Very high85 Ų8543.5 Ų43.537%0.3727%0.274SS..Hα-helixtrans-63.4-41.9174.8-70.5166.2-171.2162.50111.3F69 A120 Y121 E122 A127 A128F69-K124 HydrophobicContact CE1-CB 3.98Å; A120-K124 VanDerWaalsContact O-CG 3.31Å; A120-K124 WeakPolarHBondContact O-CG 3.25Å; A120-K124 PolarHBondContact O-N 2.86Å; Y121-K124 WeakPolarHBondContact O-CB 3.42Å; Y121-K124 PolarHBondContact O-N 2.69Å; E122-K124 PolarHBondContact O-N 3.02Å; K124-A127 PolarHBondContact O-N 2.8Å; K124-A128 WeakPolarHBondContact O-CB 3.32Å; K124-A128 PolarHBondContact O-N 2.9Å
125I98.9Very high98.8Very high12 Ų1242 Ų426%0.06227%0.266CS..Hα-helixtrans-61.7-48.9174.8-66.7169.4000110.2F69 Y121 E122 A127 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.32Å; F69-I125 HydrophobicContact CD1-CG1 3.47Å; F69-I125 VanDerWaalsContact CD1-CG1 3.47Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.63Å; F69-I125 HydrophobicContact CG-CG1 4Å; F69-I125 HydrophobicContact CZ-CG1 4.27Å; Y121-I125 HydrophobicContact CD1-CD1 3.94Å; Y121-I125 HydrophobicContact CE1-CD1 3.98Å; Y121-I125 WeakPolarHBondContact O-CG1 3.37Å; Y121-I125 PolarHBondContact O-N 2.93Å; E122-I125 PolarHBondContact O-N 2.74Å; I125-A127 PolarHBondContact O-N 2.89Å; I125-A128 PolarHBondContact O-N 2.97Å; I125-A128 VanDerWaalsContact O-N 3.16Å; I125-G129 PolarHBondContact O-N 2.9Å; I125-G130 PolarHBondContact O-N 3.1Å; I125-I131 HydrophobicContact CG1-CD1 4.38Å; I125-I131 HydrophobicContact CG2-CD1 4.01Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å; I125-T192 HydrophobicContact CD1-CG2 3.86Å
126A98.8Very high98.8Very high72 Ų7235.5 Ų35.560%0.59524%0.236SC*.Hα-helixtrans-61-43.9178.700000112.1E122 Q123 A128 G129E122-A126 WeakPolarHBondContact O-CB 3.45Å; E122-A126 PolarHBondContact O-N 3.37Å; Q123-A126 PolarHBondContact O-N 3.48Å; A126-A128 PolarHBondContact O-N 3.34Å; A126-G129 PolarHBondContact O-N 2.81Å
127A98.5Very high98.7Very high90 Ų9034 Ų3474%0.74423%0.225SC*.Hα-helixtrans-65.6-25.5177.300000113.2Q123 K124 I125 G129Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.21Å; Q123-A127 PolarHBondContact O-N 3.15Å; K124-A127 PolarHBondContact O-N 2.8Å; I125-A127 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.26Å
128A98.5Very high98.7Very high25 Ų2532.9 Ų32.921%0.20722%0.22CC..THydrogen-bonded Turntrans-80.7-3.6172.400000113.5T36 K67 F69 K124 I125 A126T36-A128 HydrophobicContact CG2-CB 3.81Å; K67-A128 HydrophobicContact CD-CB 4.18Å; F69-A128 HydrophobicContact CE2-CB 4.01Å; F69-A128 HydrophobicContact CZ-CB 3.81Å; K124-A128 WeakPolarHBondContact O-CB 3.32Å; K124-A128 PolarHBondContact O-N 2.9Å; I125-A128 PolarHBondContact O-N 2.97Å; I125-A128 VanDerWaalsContact O-N 3.16Å; A126-A128 PolarHBondContact O-N 3.34Å
129G98.3Very high98.4Very high62 Ų6233 Ų3364%0.63922%0.222SC*.THydrogen-bonded Turntrans88.318.9-178.700000114.3I125 A126 A127I125-G129 PolarHBondContact O-N 2.9Å; A126-G129 PolarHBondContact O-N 2.81Å; A127-G129 VanDerWaalsContact C-N 3.26Å
130G98.7Very high98.2Very high22 Ų2232.5 Ų32.523%0.22722%0.223CC..SBendtrans86.8-170.6-174.700000113T36 I125T36-G130 WeakPolarHBondContact CB-O 3.38Å; T36-G130 WeakPolarHBondContact CG2-O 3.34Å; T36-G130 PolarHBondContact OG1-O 2.85Å; I125-G130 PolarHBondContact O-N 3.1Å
131I98.9Very high97.9Very high4 Ų431.8 Ų31.82%0.02122%0.215CC..  trans-105.4125.9-179.7-56.7-60.3000109.4T36 F69 I125 L133 F134 A196 K197T36-I131 WeakPolarHBondContact OG1-CA 3.43Å; F69-I131 HydrophobicContact CB-CD1 4.08Å; F69-I131 HydrophobicContact CD2-CD1 3.46Å; F69-I131 VanDerWaalsContact CD2-CD1 3.46Å; F69-I131 HydrophobicContact CE2-CD1 4.08Å; F69-I131 HydrophobicContact CG-CD1 3.9Å; I125-I131 HydrophobicContact CG1-CD1 4.38Å; I125-I131 HydrophobicContact CG2-CD1 4.01Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å; I131-L133 VanDerWaalsContact CG2-C 3.48Å; I131-L133 VanDerWaalsContact CG2-O 3.3Å; I131-L133 WeakPolarHBondContact CG2-O 3.4Å; I131-F134 HydrophobicContact CB-CD2 4.36Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.91Å; I131-F134 HydrophobicContact CG2-CD2 3.92Å; I131-F134 HydrophobicContact CG2-CG 4.25Å; I131-A196 HydrophobicContact CB-CB 3.9Å; I131-A196 HydrophobicContact CG2-CB 4Å; I131-A196 CarbonylContact O-C 3.24Å; I131-A196 WeakPolarHBondContact O-CA 3.46Å; I131-K197 PolarHBondContact O-N 2.82Å
132E98.9Very high97.8Very high19 Ų1931.8 Ų31.89%0.08922%0.215CC..SBendtrans-77.4-46.3178.2179.666.7-15400110.6R23 F27 F35 T36 K197 E198R23-E132 IonicContact CZ-OE1 3.86Å; R23-E132 IonicContact NH2-OE1 2.85Å; R23-E132 PolarHBondContact NH2-OE1 3Å; F27-E132 HydrophobicContact CD2-CG 4.15Å; F27-E132 HydrophobicContact CE2-CG 4.12Å; F35-E132 HydrophobicContact CD2-CB 4.42Å; F35-E132 HydrophobicContact CD2-CG 3.87Å; F35-E132 HydrophobicContact CE2-CB 4.25Å; F35-E132 HydrophobicContact CE2-CG 3.51Å; F35-E132 HydrophobicContact CZ-CB 4.37Å; F35-E132 HydrophobicContact CZ-CG 3.96Å; T36-E132 WeakPolarHBondContact O-CB 3.17Å; T36-E132 PolarHBondContact O-N 2.84Å; T36-E132 PolarHBondContact OG1-N 2.93Å; E132-K197 VanDerWaalsContact OE2-CD 3.31Å; E132-K197 WeakPolarHBondContact OE2-CD 3.48Å; E132-K197 WeakPolarHBondContact OE2-CE 3.22Å; E132-K197 IonicContact OE2-NZ 2.73Å; E132-K197 PolarHBondContact OE2-NZ 3.1Å; E132-E198 PolarHBondContact O-N 2.85Å
133L98.9Very high97.8Very high0 Ų032 Ų320%022%0.216CC..EExtended strand (participates in β ladder)trans-136.5123.9174.817461.8000109.2I20 F35 T36 L37 G38 I131 V135 E198 M200I20-L133 HydrophobicContact CG1-CD2 3.91Å; F35-L133 HydrophobicContact CE1-CB 4.16Å; F35-L133 HydrophobicContact CZ-CB 3.81Å; F35-L133 HydrophobicContact CZ-CD2 4.4Å; T36-L133 PolarHBondContact O-N 2.99Å; L37-L133 CarbonylContact C-O 3.52Å; L37-L133 WeakPolarHBondContact CA-O 3.24Å; L37-L133 HydrophobicContact CD1-CB 4.2Å; L37-L133 HydrophobicContact CD1-CD2 4.09Å; L37-L133 HydrophobicContact CD1-CG 4.09Å; G38-L133 PolarHBondContact N-O 2.95Å; I131-L133 VanDerWaalsContact CG2-C 3.48Å; I131-L133 VanDerWaalsContact CG2-O 3.3Å; I131-L133 WeakPolarHBondContact CG2-O 3.4Å; L133-V135 HydrophobicContact CD2-CG2 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.15Å; L133-E198 CarbonylContact C-O 3.5Å; L133-E198 WeakPolarHBondContact CA-O 3.46Å; L133-E198 HydrophobicContact CD1-CB 4.06Å; L133-E198 HydrophobicContact CD1-CG 3.77Å; L133-M200 HydrophobicContact CD1-CB 4.07Å
134F98.9Very high97.8Very high1 Ų125.5 Ų25.50%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-105.4113.4173.5-151.6-54000109.8M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CG-CE1 3.33Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.92Å; I131-F134 HydrophobicContact CB-CD2 4.36Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.91Å; I131-F134 HydrophobicContact CG2-CD2 3.92Å; I131-F134 HydrophobicContact CG2-CG 4.25Å; F134-V188 HydrophobicContact CZ-CG2 4.08Å; F134-V193 HydrophobicContact CB-CG1 4.16Å; F134-V193 HydrophobicContact CD1-CG1 3.98Å; F134-V193 HydrophobicContact CD2-CB 4.37Å; F134-V193 HydrophobicContact CD2-CG1 4.06Å; F134-V193 HydrophobicContact CD2-CG2 4.26Å; F134-V193 HydrophobicContact CE1-CG2 4.31Å; F134-V193 HydrophobicContact CE2-CG2 3.97Å; F134-V193 HydrophobicContact CG-CG1 3.78Å; F134-V193 HydrophobicContact CZ-CG2 4.02Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; F134-E198 PolarHBondContact N-O 3.5Å; F134-V199 HydrophobicContact CB-CG2 4.42Å; F134-V199 CarbonylContact O-C 3.58Å; F134-V199 WeakPolarHBondContact O-CA 3.39Å; F134-M200 PolarHBondContact O-N 3.34Å
135V98.9Very high97.7Very high6 Ų621.7 Ų21.74%0.03617%0.17CC..EExtended strand (participates in β ladder)trans-92.1130.5173.9-171.70000109.4I20 L37 G38 P40 L133 M200I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.27Å; L37-V135 HydrophobicContact CD1-CG2 3.88Å; G38-V135 WeakPolarHBondContact O-CB 3.21Å; G38-V135 PolarHBondContact O-N 2.62Å; P40-V135 VanDerWaalsContact CD-O 3.23Å; P40-V135 WeakPolarHBondContact CD-O 3.46Å; P40-V135 HydrophobicContact CG-CG1 4.14Å; L133-V135 HydrophobicContact CD2-CG2 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.15Å; V135-M200 CarbonylContact C-O 3.54Å; V135-M200 VanDerWaalsContact CA-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.46Å; V135-M200 HydrophobicContact CB-CE 4.49Å; V135-M200 HydrophobicContact CG1-CE 3.93Å; V135-M200 HydrophobicContact CG2-CE 3.78Å
136G98.6Very high97.7Very high1 Ų121.4 Ų21.41%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-135.8173.5179.400000112.3M200 I201 L202G136-M200 PolarHBondContact N-O 3.41Å; G136-I201 WeakPolarHBondContact O-CA 3.23Å; G136-L202 PolarHBondContact O-N 2.83Å
137G97.7Very high97.6Very high18 Ų1818 Ų1819%0.18614%0.14CC..EExtended strand (participates in β ladder)trans-122.1-175.9164.700000110.4
138I97.9Very high97.5Very high5 Ų513.9 Ų13.93%0.02611%0.105CC..  trans-122.3132.5173.3-170.2169.1000110.3I201 I203 K208 A211 A215 V226I138-I201 HydrophobicContact CB-CG2 4.46Å; I138-I203 HydrophobicContact CB-CD1 4.35Å; I138-I203 HydrophobicContact CB-CG1 4.38Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.62Å; I138-I203 HydrophobicContact CG2-CG2 3.55Å; I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.39Å; I138-K208 WeakPolarHBondContact O-CD 3.45Å; I138-K208 VanDerWaalsContact O-CE 3.32Å; I138-K208 WeakPolarHBondContact O-CE 3.3Å; I138-K208 PolarHBondContact O-NZ 2.95Å; I138-A211 HydrophobicContact CD1-CB 3.67Å; I138-A211 HydrophobicContact CG1-CB 3.99Å; I138-A215 HydrophobicContact CD1-CB 4.08Å; I138-V226 HydrophobicContact CB-CG2 4.21Å; I138-V226 HydrophobicContact CD1-CB 4.06Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.05Å; I138-V226 HydrophobicContact CG1-CB 4.36Å; I138-V226 HydrophobicContact CG1-CG2 3.8Å
139G94Very high97.5Very high3 Ų314.8 Ų14.83%0.03111%0.109CC..  trans-69.8159.5168.700000112.3D141 G142 H143 A211G139-D141 PolarHBondContact O-N 3.25Å; G139-D141 VanDerWaalsContact O-N 3.13Å; G139-G142 PolarHBondContact O-N 2.99Å; G139-H143 WeakPolarHBondContact CA-NE2 3.31Å; G139-H143 PolarHBondContact N-O 2.7Å; G139-H143 VanDerWaalsContact N-O 3.1Å; G139-A211 WeakPolarHBondContact O-CB 3.23Å
140P92.8Very high97.5Very high69 Ų6913.6 Ų13.645%0.44810%0.097SC..THydrogen-bonded Turntrans-58.2-21.5172.9-22.734.2000114.2K208P140-K208 HydrophobicContact CG-CD 4.38Å
141D93.9Very high97.5Very high14 Ų1412.8 Ų12.88%0.0759%0.088CC..THydrogen-bonded Turntrans-94.45.1175.164.4-12.1000113.4G139 H143 E148 P149 W224G139-D141 PolarHBondContact O-N 3.25Å; G139-D141 VanDerWaalsContact O-N 3.13Å; D141-H143 IonicContact OD1-CE1 3.59Å; D141-H143 PolarHBondContact OD1-CE1 3.1Å; D141-H143 IonicContact OD1-CG 2.98Å; D141-H143 VanDerWaalsContact OD1-CG 3.23Å; D141-H143 PolarHBondContact OD1-N 3.48Å; D141-H143 VanDerWaalsContact OD1-N 3.1Å; D141-H143 IonicContact OD1-ND1 2.81Å; D141-H143 PolarHBondContact OD1-ND1 3.38Å; D141-H143 IonicContact OD2-CE1 2.73Å; D141-H143 IonicContact OD2-CG 2.82Å; D141-H143 IonicContact OD2-ND1 3.51Å; D141-H143 PolarHBondContact OD2-ND1 2.89Å; D141-E148 VanDerWaalsContact OD2-OE2 3.13Å; D141-P149 HydrophobicContact CB-CG 3.99Å; D141-P149 VanDerWaalsContact OD2-CD 3.27Å; D141-P149 WeakPolarHBondContact OD2-CD 3.42Å; D141-W224 VanDerWaalsContact C-CE3 3.41Å; D141-W224 WeakPolarHBondContact O-CZ3 3.41Å
142G97.1Very high97.4Very high0 Ų015.7 Ų15.70%011%0.108CC..  trans79.513.8-18000000116G139 W224 T225 V226G139-G142 PolarHBondContact O-N 2.99Å; G142-W224 CarbonylContact O-C 3.33Å; G142-T225 PolarHBondContact O-N 2.94Å; G142-T225 VanDerWaalsContact O-N 3.08Å; G142-V226 WeakPolarHBondContact O-CG2 3.48Å; G142-V226 PolarHBondContact O-N 3.5Å
143H97.8Very high97.4Very high28 Ų2816.6 Ų16.613%0.1311%0.114CC..  trans-69.3146.5177.265.4-126.6000113.1G139 D141 A145 N147 E148 T225G139-H143 WeakPolarHBondContact CA-NE2 3.31Å; G139-H143 PolarHBondContact N-O 2.7Å; G139-H143 VanDerWaalsContact N-O 3.1Å; D141-H143 IonicContact OD1-CE1 3.59Å; D141-H143 PolarHBondContact OD1-CE1 3.1Å; D141-H143 IonicContact OD1-CG 2.98Å; D141-H143 VanDerWaalsContact OD1-CG 3.23Å; D141-H143 PolarHBondContact OD1-N 3.48Å; D141-H143 VanDerWaalsContact OD1-N 3.1Å; D141-H143 IonicContact OD1-ND1 2.81Å; D141-H143 PolarHBondContact OD1-ND1 3.38Å; D141-H143 IonicContact OD2-CE1 2.73Å; D141-H143 IonicContact OD2-CG 2.82Å; D141-H143 IonicContact OD2-ND1 3.51Å; D141-H143 PolarHBondContact OD2-ND1 2.89Å; H143-A145 PolarHBondContact CD2-O 3.08Å; H143-N147 WeakPolarHBondContact CB-O 3.4Å; H143-E148 IonicContact ND1-OE2 3.54Å; H143-E148 PolarHBondContact ND1-OE2 3.23Å; H143-T225 WeakPolarHBondContact CA-OG1 3.36Å
144I98.4Very high97.4Very high0 Ų022.3 Ų22.30%015%0.148CC..SBendtrans-101.9131.7158.2177.463.5000109.2M71 N147 V190 V193 I201 T225 V226 F229M71-I144 HydrophobicContact SD-CD1 3.97Å; I144-N147 HydrophobicContact CG2-CB 4.39Å; I144-N147 WeakPolarHBondContact O-CB 3.29Å; I144-N147 PolarHBondContact O-N 2.84Å; I144-N147 PolarHBondContact O-ND2 2.99Å; I144-V190 HydrophobicContact CG2-CG2 4.11Å; I144-V193 HydrophobicContact CG1-CG1 4.45Å; I144-V193 HydrophobicContact CG1-CG2 4.2Å; I144-I201 HydrophobicContact CD1-CD1 3.95Å; I144-T225 PolarHBondContact N-OG1 3.03Å; I144-T225 VanDerWaalsContact N-OG1 3.1Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; I144-F229 HydrophobicContact CB-CE2 4.14Å; I144-F229 HydrophobicContact CB-CZ 4.4Å; I144-F229 HydrophobicContact CD1-CE2 4.35Å; I144-F229 HydrophobicContact CD1-CZ 4.48Å; I144-F229 HydrophobicContact CG1-CE2 4.03Å; I144-F229 HydrophobicContact CG1-CZ 3.96Å; I144-F229 HydrophobicContact CG2-CE2 4.31Å; I144-F229 HydrophobicContact CG2-CZ 4.34Å
145A97.8Very high97.4Very high5 Ų522.8 Ų22.84%0.04115%0.151CC..THydrogen-bonded Turntrans51.5-142.6-168.300000110.2M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.76Å; M71-A145 HydrophobicContact CE-CB 4.38Å; M71-A145 HydrophobicContact CG-CB 4.26Å; M71-A145 HydrophobicContact SD-CB 4.18Å; D72-A145 VanDerWaalsContact OD2-CA 3.23Å; D72-A145 WeakPolarHBondContact OD2-CA 3.48Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; H143-A145 PolarHBondContact CD2-O 3.08Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.09Å; A145-T187 WeakPolarHBondContact CB-OG1 3.47Å; A145-V188 HydrophobicContact CB-CG2 3.96Å
146F97.7Very high97.4Very high6 Ų627.3 Ų27.33%0.02617%0.168CC..THydrogen-bonded Turntrans-94.233.8167.8-66.9-60.7000112.9D72 Y74 Y85 E148 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.5Å; D72-F146 VanDerWaalsContact CB-CD2 3.5Å; D72-F146 HydrophobicContact CB-CE2 3.82Å; Y74-F146 HydrophobicContact CE1-CE2 4.37Å; Y74-F146 AromaticContact CE1-CZ 3.92Å; Y74-F146 HydrophobicContact CE1-CZ 3.92Å; Y85-F146 AromaticContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CE2 3.82Å; Y85-F146 HydrophobicContact CE2-CZ 4.04Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.45Å; F146-E148 PolarHBondContact O-N 2.65Å; F146-L162 HydrophobicContact CB-CD2 4.21Å; F146-L162 HydrophobicContact CD1-CD2 3.52Å; F146-L162 HydrophobicContact CD2-CD2 4.22Å; F146-L162 HydrophobicContact CE1-CD2 3.82Å; F146-L162 HydrophobicContact CE2-CD2 4.45Å; F146-L162 HydrophobicContact CG-CD2 3.74Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; F146-T166 HydrophobicContact CD1-CG2 4.03Å; F146-T166 HydrophobicContact CE1-CG2 3.64Å; F146-A185 HydrophobicContact CB-CB 4.46Å; F146-A185 HydrophobicContact CD2-CB 3.26Å; F146-A185 HydrophobicContact CE2-CB 3.58Å; F146-A185 HydrophobicContact CG-CB 4.02Å; F146-T187 HydrophobicContact CB-CG2 3.97Å; F146-T187 PolarHBondContact N-OG1 3.29Å
147N98.3Very high97.4Very high0 Ų027.6 Ų27.60%017%0.17CC..  trans-78.371168.8-63-80.9000110.2H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.4Å; I144-N147 HydrophobicContact CG2-CB 4.39Å; I144-N147 WeakPolarHBondContact O-CB 3.29Å; I144-N147 PolarHBondContact O-N 2.84Å; I144-N147 PolarHBondContact O-ND2 2.99Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.09Å; N147-S155 PolarHBondContact OD1-OG 3.07Å; N147-R158 PolarHBondContact OD1-NH1 2.89Å; N147-R158 PolarHBondContact OD1-NH2 3.02Å; N147-V188 PolarHBondContact ND2-O 3.46Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 3.45Å; N147-T225 HydrophobicContact CB-CG2 4.25Å; N147-T225 WeakPolarHBondContact O-CG2 3.16Å; N147-T225 PolarHBondContact O-OG1 3.47Å
148E96.3Very high97.5Very high4 Ų429.6 Ų29.62%0.01917%0.172CC..  trans-52.5157.8179-57.4-70.3-157.700112.4D141 H143 F146 G150 S151 L162 A163 T166D141-E148 VanDerWaalsContact OD2-OE2 3.13Å; H143-E148 IonicContact ND1-OE2 3.54Å; H143-E148 PolarHBondContact ND1-OE2 3.23Å; F146-E148 PolarHBondContact O-N 2.65Å; E148-G150 PolarHBondContact O-N 2.92Å; E148-S151 PolarHBondContact N-OG 2.85Å; E148-S151 WeakPolarHBondContact O-CB 3.49Å; E148-S151 PolarHBondContact O-N 3.33Å; E148-S151 PolarHBondContact O-OG 3.03Å; E148-L162 WeakPolarHBondContact OE1-CA 3.42Å; E148-A163 HydrophobicContact CB-CB 4.46Å; E148-A163 HydrophobicContact CG-CB 4.26Å; E148-A163 PolarHBondContact OE1-N 2.86Å; E148-T166 VanDerWaalsContact OE1-CB 3.3Å; E148-T166 WeakPolarHBondContact OE1-CB 3.06Å; E148-T166 PolarHBondContact OE1-OG1 3.06Å; E148-T166 PolarHBondContact OE2-OG1 3.04Å; E148-T166 VanDerWaalsContact OE2-OG1 3.11Å
149P97.6Very high97.5Very high44 Ų4432 Ų3229%0.28619%0.186SC..THydrogen-bonded Turntrans-48130.9177.7-29.534.9000113.4D141 M223D141-P149 HydrophobicContact CB-CG 3.99Å; D141-P149 VanDerWaalsContact OD2-CD 3.27Å; D141-P149 WeakPolarHBondContact OD2-CD 3.42Å; P149-M223 HydrophobicContact CB-CE 3.61Å; P149-M223 WeakPolarHBondContact CB-O 3.13Å; P149-M223 HydrophobicContact CB-SD 4.08Å
150G97.4Very high97.6Very high37 Ų3734 Ų3438%0.38119%0.194SC..THydrogen-bonded Turntrans92.8-2.6-17500000114.3E148 H222E148-G150 PolarHBondContact O-N 2.92Å; G150-H222 PolarHBondContact N-O 2.85Å
151S98.5Very high97.6Very high5 Ų535.1 Ų35.14%0.03520%0.2CC..  trans-67.3137.7176.3-69.50000112.3E148 L153 R158 H222E148-S151 PolarHBondContact N-OG 2.85Å; E148-S151 WeakPolarHBondContact O-CB 3.49Å; E148-S151 PolarHBondContact O-N 3.33Å; E148-S151 PolarHBondContact O-OG 3.03Å; S151-L153 PolarHBondContact O-N 3.23Å; S151-R158 PolarHBondContact OG-NH2 3.37Å; S151-H222 WeakPolarHBondContact O-CB 3.43Å
152S98.8Very high97.4Very high64 Ų6434.9 Ų34.945%0.44820%0.198SC..  trans-55.8130.9174.9174.30000111.5V154 S155S152-V154 PolarHBondContact O-N 2.9Å; S152-V154 WeakPolarHBondContact OG-CG2 3.43Å; S152-V154 PolarHBondContact OG-N 3.42Å; S152-S155 WeakPolarHBondContact O-CB 3.29Å; S152-S155 PolarHBondContact O-N 3.17Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 2.85Å
153L98.8Very high96.8Very high39 Ų3936.2 Ų36.220%0.20421%0.21CC..THydrogen-bonded Turntrans-71.7-9.4179.4-61.2-174.4000113.6S151 V190 V220 H222 T225 A228S151-L153 PolarHBondContact O-N 3.23Å; L153-V190 HydrophobicContact CD2-CG1 4.39Å; L153-V190 WeakPolarHBondContact O-CB 3.47Å; L153-V190 VanDerWaalsContact O-CG1 3.26Å; L153-V190 WeakPolarHBondContact O-CG1 3.46Å; L153-V220 HydrophobicContact CD1-CG1 3.4Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4Å; L153-T225 HydrophobicContact CD2-CG2 4.11Å; L153-A228 HydrophobicContact CD2-CB 4.15Å
154V98.6Very high96.3Very high119 Ų11942.7 Ų42.772%0.72124%0.237SC*.THydrogen-bonded Turntrans-115.219.5174.3-61.80000111.7S152S152-V154 PolarHBondContact O-N 2.9Å; S152-V154 WeakPolarHBondContact OG-CG2 3.43Å; S152-V154 PolarHBondContact OG-N 3.42Å
155S98.8Very high95.4Very high11 Ų1148 Ų488%0.07727%0.266CS..  trans-63154.7-179.350.90000112.8N147 S152 R158 G189 V190 G191 T192N147-S155 PolarHBondContact OD1-OG 3.07Å; S152-S155 WeakPolarHBondContact O-CB 3.29Å; S152-S155 PolarHBondContact O-N 3.17Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 2.85Å; S155-R158 PolarHBondContact OG-NH1 3.39Å; S155-R158 VanDerWaalsContact OG-NH1 3.15Å; S155-G189 CarbonylContact O-C 3.57Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.41Å; S155-V190 PolarHBondContact OG-N 2.88Å; S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.23Å; S155-G191 PolarHBondContact O-N 2.92Å; S155-T192 PolarHBondContact O-N 3.35Å
156R98.8Very high94.7Very high101 Ų10148.1 Ų48.138%0.38127%0.266SS..  trans-102.1177.4167.1-59.4-48.8-61.5-166.5-7.6111.3E122 R158 G189 D195E122-R156 IonicContact OE1-CZ 3.66Å; E122-R156 IonicContact OE1-NE 2.66Å; E122-R156 PolarHBondContact OE1-NE 2.86Å; E122-R156 IonicContact OE1-NH2 3.44Å; E122-R156 IonicContact OE2-CZ 2.65Å; E122-R156 IonicContact OE2-NE 3.51Å; E122-R156 IonicContact OE2-NH2 2.95Å; E122-R156 PolarHBondContact OE2-NH2 2.73Å; R156-R158 PolarHBondContact O-N 2.79Å; R156-R158 PolarHBondContact O-NH1 3.47Å; R156-R158 VanDerWaalsContact O-NH1 3.08Å; R156-G189 VanDerWaalsContact C-CA 3.49Å; R156-G189 WeakPolarHBondContact O-CA 3.32Å; R156-G189 PolarHBondContact O-N 3.08Å; R156-D195 IonicContact CZ-OD2 3.52Å; R156-D195 IonicContact NH1-OD2 2.62Å; R156-D195 PolarHBondContact NH1-OD2 3.1Å; R156-D195 IonicContact NH2-OD2 3.56Å; R156-D195 PolarHBondContact NH2-OD2 2.81Å
157T98.9Very high94.2Very high8 Ų849.5 Ų49.55%0.04927%0.273CS..SBendtrans-55.3128.5174.1-52.80000110.1L107 C118 Y121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.07Å; L107-T157 HydrophobicContact CD2-CG2 3.9Å; C118-T157 HydrophobicContact CB-CG2 3.87Å; C118-T157 WeakPolarHBondContact CB-O 3.2Å; Y121-T157 HydrophobicContact CD1-CG2 4.28Å; E122-T157 WeakPolarHBondContact OE1-CB 3.39Å; E122-T157 PolarHBondContact OE1-N 3.18Å; E122-T157 PolarHBondContact OE1-OG1 3.44Å; T157-T187 CarbonylContact C-O 3.57Å; T157-T187 WeakPolarHBondContact CA-O 3.39Å; T157-T187 WeakPolarHBondContact CG2-O 3.46Å; T157-T192 PolarHBondContact N-OG1 3.41Å
158R98.8Very high93.6Very high60 Ų6053.3 Ų53.323%0.22630%0.296CS..EExtended strand (participates in β ladder)trans-162169.5-173.268.7-166.5-178.1-65.2-3.4111.9C118 N147 S151 S155 R156 K160 T187C118-R158 VanDerWaalsContact SG-CA 3.56Å; N147-R158 PolarHBondContact OD1-NH1 2.89Å; N147-R158 PolarHBondContact OD1-NH2 3.02Å; S151-R158 PolarHBondContact OG-NH2 3.37Å; S155-R158 PolarHBondContact OG-NH1 3.39Å; S155-R158 VanDerWaalsContact OG-NH1 3.15Å; R156-R158 PolarHBondContact O-N 2.79Å; R156-R158 PolarHBondContact O-NH1 3.47Å; R156-R158 VanDerWaalsContact O-NH1 3.08Å; R158-K160 HydrophobicContact CG-CG 4.21Å; R158-T187 PolarHBondContact N-O 3.49Å; R158-T187 PolarHBondContact O-N 3.18Å
159V98.3Very high92.9Very high54 Ų5454.9 Ų54.933%0.32731%0.31SS..EExtended strand (participates in β ladder)trans-70.6135.5165.2-172.70000109.9L114 M184 A185 L186L114-V159 HydrophobicContact CB-CG2 3.63Å; L114-V159 HydrophobicContact CD1-CG2 3.96Å; L114-V159 HydrophobicContact CG-CG2 4.46Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-SD 4.03Å; V159-A185 WeakPolarHBondContact CA-O 3.35Å; V159-L186 HydrophobicContact CB-CD2 4.34Å; V159-L186 HydrophobicContact CG2-CD2 3.6Å
160K96.5Very high92.3Very high46 Ų4653.8 Ų53.820%0.230%0.302CS..EExtended strand (participates in β ladder)trans-132.4132.3171.7-86.3-66.6-61.8173.10111R158 M184 A185 T187R158-K160 HydrophobicContact CG-CG 4.21Å; K160-M184 CarbonylContact O-C 3.56Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.31Å; K160-A185 PolarHBondContact N-O 3.41Å; K160-A185 PolarHBondContact O-N 2.86Å; K160-T187 HydrophobicContact CB-CG2 3.93Å; K160-T187 HydrophobicContact CG-CG2 3.78Å
161T93.6Very high91.9Very high92 Ų9252.3 Ų52.356%0.56429%0.286SS*.EExtended strand (participates in β ladder)trans-73.4131.8165.9-49.10000109.1T183T161-T183 WeakPolarHBondContact CA-O 3.24Å; T161-T183 WeakPolarHBondContact CG2-O 3.24Å
162L87.8Confident91.4Very high9 Ų958.6 Ų58.65%0.04731%0.309CS..PPolyproline II helixtrans-71.1139.9-179.9-56.4-171.2000110.9Y74 F146 E148 T166 I167 P182 T183 A185Y74-L162 HydrophobicContact CD1-CD1 4.29Å; Y74-L162 HydrophobicContact CE1-CD1 3.85Å; F146-L162 HydrophobicContact CB-CD2 4.21Å; F146-L162 HydrophobicContact CD1-CD2 3.52Å; F146-L162 HydrophobicContact CD2-CD2 4.22Å; F146-L162 HydrophobicContact CE1-CD2 3.82Å; F146-L162 HydrophobicContact CE2-CD2 4.45Å; F146-L162 HydrophobicContact CG-CD2 3.74Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; E148-L162 WeakPolarHBondContact OE1-CA 3.42Å; L162-T166 HydrophobicContact CB-CG2 4.32Å; L162-T166 HydrophobicContact CD1-CG2 4.25Å; L162-T166 HydrophobicContact CD2-CG2 4.33Å; L162-I167 HydrophobicContact CB-CD1 4.45Å; L162-I167 HydrophobicContact CB-CG1 3.99Å; L162-P182 WeakPolarHBondContact CD1-O 3.09Å; L162-T183 PolarHBondContact N-O 2.87Å; L162-A185 HydrophobicContact CD2-CB 3.92Å
163A85.5Confident90.9Very high29 Ų2959.3 Ų59.324%0.2430%0.304CS..PPolyproline II helixtrans-69.7156.9172.400000110.6E148 D165 T166 I167E148-A163 HydrophobicContact CB-CB 4.46Å; E148-A163 HydrophobicContact CG-CB 4.26Å; E148-A163 PolarHBondContact OE1-N 2.86Å; A163-D165 PolarHBondContact O-N 3.44Å; A163-T166 WeakPolarHBondContact O-CB 3.5Å; A163-T166 PolarHBondContact O-N 3.45Å; A163-T166 VanDerWaalsContact O-N 3.15Å; A163-I167 WeakPolarHBondContact O-CG1 3.4Å; A163-I167 PolarHBondContact O-N 2.89Å
164K86.2Confident90.5Very high163 Ų16358.1 Ų58.171%0.70930%0.297SS*.Hα-helixtrans-57.4-39.1178-175179.8176.9-1760111.9T166 I167 V168K164-T166 VanDerWaalsContact C-N 3.34Å; K164-T166 PolarHBondContact O-N 3.16Å; K164-I167 PolarHBondContact O-N 3.01Å; K164-V168 HydrophobicContact CG-CG2 4.42Å; K164-V168 VanDerWaalsContact O-CG2 3.32Å; K164-V168 WeakPolarHBondContact O-CG2 3.28Å; K164-V168 PolarHBondContact O-N 2.9Å
165D81.3Confident90Very high113 Ų11355.5 Ų55.560%0.60430%0.295SS*.Hα-helixtrans-63.9-40.6179.5-64.8-23.2000111.4A163 V168 A169A163-D165 PolarHBondContact O-N 3.44Å; D165-V168 PolarHBondContact O-N 2.95Å; D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 2.83Å
166T82.6Confident89.5Confident7 Ų761.1 Ų61.14%0.04332%0.323CS..Hα-helixtrans-62.6-44.9172.9-560000111.9F146 E148 L162 A163 K164 V168 A169 N170F146-T166 HydrophobicContact CD1-CG2 4.03Å; F146-T166 HydrophobicContact CE1-CG2 3.64Å; E148-T166 VanDerWaalsContact OE1-CB 3.3Å; E148-T166 WeakPolarHBondContact OE1-CB 3.06Å; E148-T166 PolarHBondContact OE1-OG1 3.06Å; E148-T166 PolarHBondContact OE2-OG1 3.04Å; E148-T166 VanDerWaalsContact OE2-OG1 3.11Å; L162-T166 HydrophobicContact CB-CG2 4.32Å; L162-T166 HydrophobicContact CD1-CG2 4.25Å; L162-T166 HydrophobicContact CD2-CG2 4.33Å; A163-T166 WeakPolarHBondContact O-CB 3.5Å; A163-T166 PolarHBondContact O-N 3.45Å; A163-T166 VanDerWaalsContact O-N 3.15Å; K164-T166 VanDerWaalsContact C-N 3.34Å; K164-T166 PolarHBondContact O-N 3.16Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3.06Å; T166-A169 PolarHBondContact O-N 3.47Å; T166-N170 WeakPolarHBondContact O-CB 3.46Å; T166-N170 PolarHBondContact O-N 3.48Å
167I86.7Confident89.1Confident35 Ų3559 Ų5918%0.17932%0.32CS..Hα-helixtrans-59.6-45.7176.3-67.4171000110.6L162 A163 K164 N170 A171 L178 V181L162-I167 HydrophobicContact CB-CD1 4.45Å; L162-I167 HydrophobicContact CB-CG1 3.99Å; A163-I167 WeakPolarHBondContact O-CG1 3.4Å; A163-I167 PolarHBondContact O-N 2.89Å; K164-I167 PolarHBondContact O-N 3.01Å; I167-N170 PolarHBondContact O-N 3.23Å; I167-A171 PolarHBondContact O-N 3.18Å; I167-L178 HydrophobicContact CG2-CB 4.31Å; I167-L178 HydrophobicContact CG2-CD2 3.84Å; I167-V181 HydrophobicContact CG1-CG1 4.43Å; I167-V181 HydrophobicContact CG2-CB 4.06Å; I167-V181 HydrophobicContact CG2-CG1 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.21Å
168V86.4Confident88.7Confident80 Ų8062.9 Ų62.949%0.48534%0.34SS..Hα-helixtrans-64.4-44.7178.4171.40000111.4K164 D165 T166 N170 A171 L178K164-V168 HydrophobicContact CG-CG2 4.42Å; K164-V168 VanDerWaalsContact O-CG2 3.32Å; K164-V168 WeakPolarHBondContact O-CG2 3.28Å; K164-V168 PolarHBondContact O-N 2.9Å; D165-V168 PolarHBondContact O-N 2.95Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3.06Å; V168-N170 VanDerWaalsContact C-N 3.3Å; V168-N170 PolarHBondContact O-N 3.45Å; V168-A171 PolarHBondContact O-N 3Å; V168-L178 HydrophobicContact CB-CD2 4.42Å; V168-L178 HydrophobicContact CG2-CD2 3.91Å
169A80.8Confident88.2Confident37 Ų3764.8 Ų64.831%0.30636%0.363SS..Hα-helixtrans-63.3-35.9179.200000112.5D165 T166 R172D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 2.83Å; T166-A169 PolarHBondContact O-N 3.47Å; A169-R172 PolarHBondContact O-NE 3.02Å
170N85.9Confident87.8Confident21 Ų2168.3 Ų68.311%0.11237%0.373CS..Hα-helixtrans-89.8-14.8-176.5-68-0.3000113.4Y74 T166 I167 V168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.43Å; T166-N170 WeakPolarHBondContact O-CB 3.46Å; T166-N170 PolarHBondContact O-N 3.48Å; I167-N170 PolarHBondContact O-N 3.23Å; V168-N170 VanDerWaalsContact C-N 3.3Å; V168-N170 PolarHBondContact O-N 3.45Å; N170-R172 PolarHBondContact O-N 2.97Å; N170-F173 HydrophobicContact CB-CD2 4.32Å; N170-F173 WeakPolarHBondContact O-CB 3.47Å; N170-F173 WeakPolarHBondContact O-CD2 3.11Å; N170-F173 PolarHBondContact O-N 2.87Å; N170-F174 WeakPolarHBondContact O-CD2 3.45Å; N170-V181 HydrophobicContact CB-CG1 4.38Å
171A88.8Confident87.6Confident6 Ų666.4 Ų66.45%0.0537%0.365CS..G310 helixtrans-52.2-30.9178.300000113.7I167 V168 F173 F174 G175 N176 L178 V181I167-A171 PolarHBondContact O-N 3.18Å; V168-A171 PolarHBondContact O-N 3Å; A171-F173 PolarHBondContact O-N 3.41Å; A171-F173 VanDerWaalsContact O-N 3.14Å; A171-F174 CarbonylContact O-C 3.43Å; A171-F174 WeakPolarHBondContact O-CA 3.17Å; A171-F174 PolarHBondContact O-N 3.14Å; A171-G175 PolarHBondContact O-N 2.89Å; A171-N176 WeakPolarHBondContact O-CA 3.44Å; A171-N176 PolarHBondContact O-N 3.05Å; A171-L178 HydrophobicContact CB-CD2 3.74Å; A171-V181 HydrophobicContact CB-CG2 4.24Å
172R88.3Confident87.5Confident137 Ų13762.7 Ų62.752%0.51734%0.343SS..G310 helixtrans-55.6-28.4175.668.9-172.9178.3-165.4-2.7114.1A169 N170 N176A169-R172 PolarHBondContact O-NE 3.02Å; N170-R172 PolarHBondContact O-N 2.97Å; R172-N176 WeakPolarHBondContact CA-OD1 3.3Å
173F87.3Confident87.7Confident78 Ų7866.6 Ų66.634%0.34237%0.367SS..G310 helixtrans-82.3-22.3176.9-59.6-59.6000112.3E83 N170 A171E83-F173 HydrophobicContact CG-CB 4.17Å; E83-F173 WeakPolarHBondContact CG-O 3.37Å; E83-F173 WeakPolarHBondContact OE2-CB 3.43Å; N170-F173 HydrophobicContact CB-CD2 4.32Å; N170-F173 WeakPolarHBondContact O-CB 3.47Å; N170-F173 WeakPolarHBondContact O-CD2 3.11Å; N170-F173 PolarHBondContact O-N 2.87Å; A171-F173 PolarHBondContact O-N 3.41Å; A171-F173 VanDerWaalsContact O-N 3.14Å
174F90Very high88.2Confident15 Ų1568.5 Ų68.57%0.06637%0.372CS..G310 helixtrans-105.233.2-178.3-61.7-89.5000112.2Y74 L77 E83 N170 A171 N176 D177 K180 V181 P182Y74-F174 HydrophobicContact CD2-CZ 4.5Å; Y74-F174 HydrophobicContact CE2-CE2 4.39Å; Y74-F174 HydrophobicContact CE2-CZ 4.07Å; L77-F174 HydrophobicContact CD1-CE1 4.15Å; L77-F174 HydrophobicContact CD2-CE1 4.17Å; L77-F174 HydrophobicContact CD2-CZ 4.21Å; E83-F174 HydrophobicContact CB-CE1 4.05Å; E83-F174 HydrophobicContact CB-CZ 3.91Å; N170-F174 WeakPolarHBondContact O-CD2 3.45Å; A171-F174 CarbonylContact O-C 3.43Å; A171-F174 WeakPolarHBondContact O-CA 3.17Å; A171-F174 PolarHBondContact O-N 3.14Å; F174-N176 VanDerWaalsContact C-N 3.33Å; F174-N176 PolarHBondContact O-N 2.95Å; F174-D177 PolarHBondContact O-N 3.31Å; F174-K180 HydrophobicContact CB-CB 3.93Å; 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 4.2Å; F174-V181 HydrophobicContact CD2-CB 4.34Å; F174-V181 HydrophobicContact CD2-CG1 4.37Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.29Å; F174-V181 HydrophobicContact CG-CG2 4.16Å; F174-P182 HydrophobicContact CE1-CG 4.43Å; F174-P182 HydrophobicContact CZ-CG 4.26Å
175G89.1Confident88.7Confident64 Ų6460.7 Ų60.766%0.6634%0.338SS*.THydrogen-bonded Turntrans69.726.9178.900000114.3A171 D177A171-G175 PolarHBondContact O-N 2.89Å; G175-D177 PolarHBondContact O-N 2.79Å
176N88.3Confident89.5Confident128 Ų12855.3 Ų55.368%0.68431%0.309SS*.THydrogen-bonded Turntrans61.323.2-173.9-58.6-59.1000114.3A171 R172 F174A171-N176 WeakPolarHBondContact O-CA 3.44Å; A171-N176 PolarHBondContact O-N 3.05Å; R172-N176 WeakPolarHBondContact CA-OD1 3.3Å; F174-N176 VanDerWaalsContact C-N 3.33Å; F174-N176 PolarHBondContact O-N 2.95Å
177D90.9Very high90.3Very high56 Ų5655 Ų5530%0.29931%0.307SS..  trans-105.8107.8177.4-174.6-12.6000110.5F174 G175 S179 K180F174-D177 PolarHBondContact O-N 3.31Å; G175-D177 PolarHBondContact O-N 2.79Å; D177-S179 VanDerWaalsContact CG-OG 3.3Å; D177-S179 PolarHBondContact O-N 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.15Å; D177-S179 PolarHBondContact OD1-N 3.01Å; D177-S179 PolarHBondContact OD1-OG 2.84Å; D177-S179 PolarHBondContact OD2-OG 3.34Å; D177-K180 HydrophobicContact CB-CB 4.42Å; D177-K180 HydrophobicContact CB-CD 4Å; D177-K180 HydrophobicContact CB-CG 4.14Å; D177-K180 PolarHBondContact O-N 2.68Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD2-CE 3.23Å; D177-K180 IonicContact OD2-NZ 3.23Å
178L88.8Confident90.9Very high90 Ų9053.4 Ų53.447%0.47130%0.299SS..G310 helixtrans-59.3-28.7-179.4-62.5169.7000112.6I167 V168 A171 K180 V181I167-L178 HydrophobicContact CG2-CB 4.31Å; I167-L178 HydrophobicContact CG2-CD2 3.84Å; V168-L178 HydrophobicContact CB-CD2 4.42Å; V168-L178 HydrophobicContact CG2-CD2 3.91Å; A171-L178 HydrophobicContact CB-CD2 3.74Å; L178-K180 PolarHBondContact O-N 3.38Å; L178-V181 PolarHBondContact O-N 3.46Å
179S90.1Very high91.5Very high101 Ų10149.6 Ų49.671%0.70628%0.276SS*.G310 helixtrans-73.7-17.5-17872.60000113.5D177D177-S179 VanDerWaalsContact CG-OG 3.3Å; D177-S179 PolarHBondContact O-N 3.48Å; D177-S179 WeakPolarHBondContact OD1-CB 3.15Å; D177-S179 PolarHBondContact OD1-N 3.01Å; D177-S179 PolarHBondContact OD1-OG 2.84Å; D177-S179 PolarHBondContact OD2-OG 3.34Å
180K89.9Confident92.3Very high128 Ų12847.8 Ų47.856%0.55726%0.262SS*.G310 helixtrans-91.9-10.2179-67.8-177.8-174.41670113.4F174 D177 L178F174-K180 HydrophobicContact CB-CB 3.93Å; 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 4.14Å; D177-K180 PolarHBondContact O-N 2.68Å; D177-K180 VanDerWaalsContact O-N 3.15Å; D177-K180 WeakPolarHBondContact OD2-CE 3.23Å; D177-K180 IonicContact OD2-NZ 3.23Å; L178-K180 PolarHBondContact O-N 3.38Å
181V90.6Very high93Very high5 Ų547.2 Ų47.23%0.0326%0.26CS..SBendtrans-74.8127.9176.7-172.40000108.4I167 N170 A171 F174 L178 T183I167-V181 HydrophobicContact CG1-CG1 4.43Å; I167-V181 HydrophobicContact CG2-CB 4.06Å; I167-V181 HydrophobicContact CG2-CG1 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.21Å; N170-V181 HydrophobicContact CB-CG1 4.38Å; A171-V181 HydrophobicContact CB-CG2 4.24Å; F174-V181 HydrophobicContact CB-CG2 4.2Å; F174-V181 HydrophobicContact CD2-CB 4.34Å; F174-V181 HydrophobicContact CD2-CG1 4.37Å; F174-V181 HydrophobicContact CD2-CG2 3.81Å; F174-V181 HydrophobicContact CE2-CG1 4.29Å; F174-V181 HydrophobicContact CG-CG2 4.16Å; L178-V181 PolarHBondContact O-N 3.46Å; V181-T183 PolarHBondContact O-N 3.01Å
182P92.4Very high93.4Very high15 Ų1547 Ų4710%0.09726%0.259CS..  trans-54136.3173.9-27.836.7000111.3Y74 L77 L162 F174 M184Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.81Å; Y74-P182 HydrophobicContact CD2-CG 4.37Å; Y74-P182 HydrophobicContact CE1-CG 4.47Å; Y74-P182 HydrophobicContact CG-CB 4.02Å; Y74-P182 HydrophobicContact CG-CG 3.74Å; L77-P182 HydrophobicContact CB-CG 4.19Å; L77-P182 HydrophobicContact CD1-CG 4.28Å; L77-P182 HydrophobicContact CD2-CG 4.35Å; L162-P182 WeakPolarHBondContact CD1-O 3.09Å; F174-P182 HydrophobicContact CE1-CG 4.43Å; F174-P182 HydrophobicContact CZ-CG 4.26Å; P182-M184 VanDerWaalsContact C-N 3.35Å
183T92.3Very high93.9Very high91 Ų9140.5 Ų40.556%0.55823%0.234SC*.SBendtrans-83.7-15.4-176.455.40000113.1T161 L162 V181T161-T183 WeakPolarHBondContact CA-O 3.24Å; T161-T183 WeakPolarHBondContact CG2-O 3.24Å; L162-T183 PolarHBondContact N-O 2.87Å; V181-T183 PolarHBondContact O-N 3.01Å
184M95Very high94.5Very high68 Ų6838.9 Ų38.934%0.33523%0.228SC..EExtended strand (participates in β ladder)trans-135.4155.2-178.9-61.4-175.2-65.400110.9V75 V159 K160 P182V75-M184 HydrophobicContact CB-CB 4.01Å; V75-M184 HydrophobicContact CG1-CE 4.21Å; V75-M184 HydrophobicContact CG2-CB 4.16Å; V75-M184 PolarHBondContact N-O 3.38Å; V159-M184 HydrophobicContact CG1-CB 4.25Å; V159-M184 HydrophobicContact CG1-SD 4.03Å; K160-M184 CarbonylContact O-C 3.56Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.31Å; P182-M184 VanDerWaalsContact C-N 3.35Å
185A97.4Very high94.9Very high0 Ų043.2 Ų43.20%025%0.252CS..EExtended strand (participates in β ladder)trans-137.3152.8171.700000110.2E73 F146 V159 K160 L162E73-A185 CarbonylContact O-C 3.58Å; E73-A185 VanDerWaalsContact O-CA 3.28Å; E73-A185 WeakPolarHBondContact O-CA 3.49Å; E73-A185 WeakPolarHBondContact O-CB 3.28Å; F146-A185 HydrophobicContact CB-CB 4.46Å; F146-A185 HydrophobicContact CD2-CB 3.26Å; F146-A185 HydrophobicContact CE2-CB 3.58Å; F146-A185 HydrophobicContact CG-CB 4.02Å; V159-A185 WeakPolarHBondContact CA-O 3.35Å; K160-A185 PolarHBondContact N-O 3.41Å; K160-A185 PolarHBondContact O-N 2.86Å; L162-A185 HydrophobicContact CD2-CB 3.92Å
186L98.8Very high95.4Very high0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-83.7136.5159.3-54.9-172000107.3D72 E73 V75 L107 D108 L114 E117 V159D72-L186 CarbonylContact C-O 3.53Å; D72-L186 WeakPolarHBondContact CA-O 3.34Å; D72-L186 WeakPolarHBondContact CB-O 3.38Å; E73-L186 PolarHBondContact N-O 3.02Å; E73-L186 PolarHBondContact O-N 3.15Å; V75-L186 HydrophobicContact CG2-CD2 3.78Å; V75-L186 HydrophobicContact CG2-CG 3.9Å; L107-L186 HydrophobicContact CB-CB 3.93Å; L107-L186 HydrophobicContact CB-CD1 4.13Å; L107-L186 HydrophobicContact CD1-CB 3.77Å; L107-L186 HydrophobicContact CD2-CB 4.14Å; L107-L186 HydrophobicContact CD2-CD1 4.18Å; L107-L186 HydrophobicContact CG-CB 4.16Å; D108-L186 VanDerWaalsContact O-CD1 3.3Å; D108-L186 WeakPolarHBondContact O-CD1 3.3Å; L114-L186 HydrophobicContact CB-CD2 3.96Å; L114-L186 HydrophobicContact CD1-CD2 4.39Å; L114-L186 HydrophobicContact CD2-CD1 4.28Å; L114-L186 HydrophobicContact CD2-CD2 4.16Å; L114-L186 HydrophobicContact CG-CD2 4.39Å; E117-L186 HydrophobicContact CB-CD1 4.47Å; E117-L186 HydrophobicContact CG-CD1 3.83Å; V159-L186 HydrophobicContact CB-CD2 4.34Å; V159-L186 HydrophobicContact CG2-CD2 3.6Å
187T98.8Very high95.9Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-148.9142.5-177.7-171.70000111.2M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.55Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; A145-T187 WeakPolarHBondContact CB-OG1 3.47Å; F146-T187 HydrophobicContact CB-CG2 3.97Å; F146-T187 PolarHBondContact N-OG1 3.29Å; T157-T187 CarbonylContact C-O 3.57Å; T157-T187 WeakPolarHBondContact CA-O 3.39Å; T157-T187 WeakPolarHBondContact CG2-O 3.46Å; R158-T187 PolarHBondContact N-O 3.49Å; R158-T187 PolarHBondContact O-N 3.18Å; K160-T187 HydrophobicContact CB-CG2 3.93Å; K160-T187 HydrophobicContact CG-CG2 3.78Å
188V98.9Very high96.3Very high1 Ų138 Ų381%0.00620%0.203CC..  trans-58.5147.7167.6-61.70000110.1M71 Y121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.19Å; M71-V188 HydrophobicContact CG-CG2 4.39Å; M71-V188 WeakPolarHBondContact O-CG2 3.39Å; M71-V188 PolarHBondContact O-N 2.93Å; Y121-V188 HydrophobicContact CD1-CG1 4.27Å; Y121-V188 HydrophobicContact CE1-CG1 3.86Å; F134-V188 HydrophobicContact CZ-CG2 4.08Å; A145-V188 HydrophobicContact CB-CG2 3.96Å; N147-V188 PolarHBondContact ND2-O 3.46Å; V188-T192 HydrophobicContact CB-CG2 3.97Å; V188-T192 HydrophobicContact CG1-CG2 4.18Å; V188-V193 HydrophobicContact CG2-CG2 3.67Å
189G98.8Very high96.8Very high0 Ų033.7 Ų33.70%018%0.18CC..  trans-78.6163.9177.300000112.7S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.57Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.41Å; R156-G189 VanDerWaalsContact C-CA 3.49Å; R156-G189 WeakPolarHBondContact O-CA 3.32Å; R156-G189 PolarHBondContact O-N 3.08Å; G189-G191 PolarHBondContact O-N 2.96Å; G189-T192 PolarHBondContact N-OG1 3.49Å; G189-T192 WeakPolarHBondContact O-CB 3.4Å; G189-T192 PolarHBondContact O-N 3.29Å; G189-T192 VanDerWaalsContact O-N 3.11Å; G189-V193 PolarHBondContact O-N 2.97Å; G189-V193 VanDerWaalsContact O-N 3.15Å
190V98.9Very high97.2Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-58.4-41.7171.1-177.10000110I144 N147 L153 S155 T192 V193 M194 T225 A228I144-V190 HydrophobicContact CG2-CG2 4.11Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 3.45Å; L153-V190 HydrophobicContact CD2-CG1 4.39Å; L153-V190 WeakPolarHBondContact O-CB 3.47Å; L153-V190 VanDerWaalsContact O-CG1 3.26Å; L153-V190 WeakPolarHBondContact O-CG1 3.46Å; S155-V190 PolarHBondContact OG-N 2.88Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 2.88Å; V190-V193 PolarHBondContact O-N 2.93Å; V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.42Å; V190-M194 WeakPolarHBondContact O-CG 3.4Å; V190-M194 PolarHBondContact O-N 3.27Å; V190-T225 HydrophobicContact CG2-CG2 4.23Å; V190-A228 HydrophobicContact CG1-CB 3.52Å
191G98.8Very high97.6Very high8 Ų822.8 Ų22.88%0.08212%0.12CC..Hα-helixtrans-62.9-38.5174.900000112.7S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.26Å; S155-G191 WeakPolarHBondContact O-CA 3.23Å; S155-G191 PolarHBondContact O-N 2.92Å; G189-G191 PolarHBondContact O-N 2.96Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 2.93Å; G191-M194 PolarHBondContact O-N 3.42Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 3.24Å
192T98.9Very high98Very high3 Ų322.7 Ų22.72%0.01812%0.12CC..Hα-helixtrans-59.7-41.1175.9-44.40000111.9E122 I125 S155 T157 V188 G189 V190E122-T192 WeakPolarHBondContact OE1-CG2 3.17Å; E122-T192 PolarHBondContact OE1-OG1 3.45Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.34Å; I125-T192 HydrophobicContact CD1-CG2 3.86Å; S155-T192 PolarHBondContact O-N 3.35Å; T157-T192 PolarHBondContact N-OG1 3.41Å; V188-T192 HydrophobicContact CB-CG2 3.97Å; V188-T192 HydrophobicContact CG1-CG2 4.18Å; G189-T192 PolarHBondContact N-OG1 3.49Å; G189-T192 WeakPolarHBondContact O-CB 3.4Å; G189-T192 PolarHBondContact O-N 3.29Å; G189-T192 VanDerWaalsContact O-N 3.11Å; V190-T192 VanDerWaalsContact C-N 3.34Å; V190-T192 PolarHBondContact O-N 2.88Å
193V98.9Very high98.3Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-74.3-38.3176.5-173.80000111.3F134 I144 V188 G189 V190 G191 D195 A196 V199 F229F134-V193 HydrophobicContact CB-CG1 4.16Å; F134-V193 HydrophobicContact CD1-CG1 3.98Å; F134-V193 HydrophobicContact CD2-CB 4.37Å; F134-V193 HydrophobicContact CD2-CG1 4.06Å; F134-V193 HydrophobicContact CD2-CG2 4.26Å; F134-V193 HydrophobicContact CE1-CG2 4.31Å; F134-V193 HydrophobicContact CE2-CG2 3.97Å; F134-V193 HydrophobicContact CG-CG1 3.78Å; F134-V193 HydrophobicContact CZ-CG2 4.02Å; I144-V193 HydrophobicContact CG1-CG1 4.45Å; I144-V193 HydrophobicContact CG1-CG2 4.2Å; V188-V193 HydrophobicContact CG2-CG2 3.67Å; G189-V193 PolarHBondContact O-N 2.97Å; G189-V193 VanDerWaalsContact O-N 3.15Å; V190-V193 PolarHBondContact O-N 2.93Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 2.93Å; V193-D195 PolarHBondContact O-N 3.1Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.45Å; V193-A196 PolarHBondContact O-N 2.92Å; V193-A196 VanDerWaalsContact O-N 3.13Å; V193-V199 HydrophobicContact CG1-CG1 4.27Å; V193-V199 HydrophobicContact CG1-CG2 4.12Å; V193-F229 HydrophobicContact CB-CE1 4.22Å; V193-F229 HydrophobicContact CB-CZ 4.07Å; V193-F229 HydrophobicContact CG1-CE1 3.72Å; V193-F229 HydrophobicContact CG1-CZ 3.51Å
194M98.9Very high98.6Very high44 Ų4418 Ų1822%0.2179%0.091CC..Hα-helixtrans-63.5-22.8176.1-73.2-74.9-62.300113.7V190 G191 A196 A228 F229 Q231 H232V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.42Å; V190-M194 WeakPolarHBondContact O-CG 3.4Å; V190-M194 PolarHBondContact O-N 3.27Å; G191-M194 PolarHBondContact O-N 3.42Å; M194-A196 VanDerWaalsContact C-N 3.26Å; M194-A228 HydrophobicContact SD-CB 4.2Å; M194-F229 HydrophobicContact CG-CD1 4.4Å; M194-F229 HydrophobicContact CG-CE1 4.13Å; M194-F229 HydrophobicContact SD-CD1 3.44Å; M194-F229 WeakPolarHBondContact SD-CD1 3.27Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.43Å; M194-Q231 HydrophobicContact CE-CB 4.38Å; M194-H232 HydrophobicContact CE-CB 3.91Å; M194-H232 PolarHBondContact O-CD2 3.11Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 PolarHBondContact O-NE2 2.75Å; M194-H232 HydrophobicContact SD-CB 3.8Å
195D98.9Very high98.8Very high105 Ų10515.4 Ų15.456%0.5618%0.081SC*.THydrogen-bonded Turntrans-78.2-8.9175.8-74.7-8.7000113.3R156 G191 V193R156-D195 IonicContact CZ-OD2 3.52Å; R156-D195 IonicContact NH1-OD2 2.62Å; R156-D195 PolarHBondContact NH1-OD2 3.1Å; R156-D195 IonicContact NH2-OD2 3.56Å; R156-D195 PolarHBondContact NH2-OD2 2.81Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 3.24Å; V193-D195 PolarHBondContact O-N 3.1Å
196A98.9Very high98.8Very high4 Ų417.8 Ų17.83%0.03310%0.101CC..SBendtrans-63.8149.217400000110.7I131 F134 V193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.9Å; I131-A196 HydrophobicContact CG2-CB 4Å; I131-A196 CarbonylContact O-C 3.24Å; I131-A196 WeakPolarHBondContact O-CA 3.46Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.45Å; V193-A196 PolarHBondContact O-N 2.92Å; V193-A196 VanDerWaalsContact O-N 3.13Å; M194-A196 VanDerWaalsContact C-N 3.26Å; A196-E198 PolarHBondContact O-N 3.26Å; A196-V199 HydrophobicContact CB-CG2 4.18Å; A196-H232 PolarHBondContact O-NE2 2.99Å
197K98.8Very high98.7Very high121 Ų12123.4 Ų23.453%0.52613%0.127SC..SBendtrans-67.6-30.2174.9-61.7-171.5-163.1159.30112.2I131 E132I131-K197 PolarHBondContact O-N 2.82Å; E132-K197 VanDerWaalsContact OE2-CD 3.31Å; E132-K197 WeakPolarHBondContact OE2-CD 3.48Å; E132-K197 WeakPolarHBondContact OE2-CE 3.22Å; E132-K197 IonicContact OE2-NZ 2.73Å; E132-K197 PolarHBondContact OE2-NZ 3.1Å
198E98.9Very high98.7Very high13 Ų1324.4 Ų24.46%0.06113%0.131CC..  trans-145.6141.4179.3-174.1158.2-138.400110.5Y19 R23 E132 L133 F134 A196 H234Y19-E198 PolarHBondContact OH-OE1 3.29Å; Y19-E198 PolarHBondContact OH-OE2 2.99Å; Y19-E198 VanDerWaalsContact OH-OE2 3.06Å; R23-E198 IonicContact CZ-OE2 3.95Å; R23-E198 IonicContact NE-OE2 2.83Å; R23-E198 PolarHBondContact NE-OE2 3.38Å; R23-E198 IonicContact NH2-OE2 2.85Å; E132-E198 PolarHBondContact O-N 2.85Å; L133-E198 CarbonylContact C-O 3.5Å; L133-E198 WeakPolarHBondContact CA-O 3.46Å; L133-E198 HydrophobicContact CD1-CB 4.06Å; L133-E198 HydrophobicContact CD1-CG 3.77Å; F134-E198 PolarHBondContact N-O 3.5Å; A196-E198 PolarHBondContact O-N 3.26Å; E198-H234 WeakPolarHBondContact CA-O 3.08Å; E198-H234 HydrophobicContact CG-CB 4.5Å
199V98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.132CC..EExtended strand (participates in β ladder)trans-122.8129.2177.4178.60000109.4F134 V193 A196 I201 F229 H234 T235 I236F134-V199 HydrophobicContact CB-CG2 4.42Å; F134-V199 CarbonylContact O-C 3.58Å; F134-V199 WeakPolarHBondContact O-CA 3.39Å; V193-V199 HydrophobicContact CG1-CG1 4.27Å; V193-V199 HydrophobicContact CG1-CG2 4.12Å; A196-V199 HydrophobicContact CB-CG2 4.18Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.06Å; V199-F229 HydrophobicContact CB-CD1 4.46Å; V199-F229 HydrophobicContact CB-CE1 4.47Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.94Å; V199-F229 HydrophobicContact CG1-CE2 4.31Å; V199-F229 HydrophobicContact CG1-CG 4.44Å; V199-F229 HydrophobicContact CG1-CZ 4.04Å; V199-F229 HydrophobicContact CG2-CD1 4.27Å; V199-F229 HydrophobicContact CG2-CE1 4.04Å; V199-H234 PolarHBondContact N-O 3.45Å; V199-T235 HydrophobicContact CB-CG2 4.34Å; V199-T235 HydrophobicContact CG1-CG2 4.35Å; V199-T235 CarbonylContact O-C 3.48Å; V199-T235 VanDerWaalsContact O-CA 3.28Å; V199-T235 WeakPolarHBondContact O-CA 3.41Å; V199-I236 PolarHBondContact O-N 3.4Å
200M98.9Very high98.6Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-118.4120.8172.1-177.3172.866.400110.2W15 A16 Y19 I20 L133 F134 V135 G136 I236 V238W15-M200 HydrophobicContact CZ3-SD 4.34Å; A16-M200 HydrophobicContact CB-CE 3.86Å; A16-M200 HydrophobicContact CB-SD 4.1Å; Y19-M200 HydrophobicContact CD1-SD 3.82Å; Y19-M200 HydrophobicContact CG-SD 4.5Å; I20-M200 HydrophobicContact CD1-CE 3.69Å; I20-M200 HydrophobicContact CG1-CE 3.71Å; L133-M200 HydrophobicContact CD1-CB 4.07Å; F134-M200 PolarHBondContact O-N 3.34Å; V135-M200 CarbonylContact C-O 3.54Å; V135-M200 VanDerWaalsContact CA-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.46Å; V135-M200 HydrophobicContact CB-CE 4.49Å; V135-M200 HydrophobicContact CG1-CE 3.93Å; V135-M200 HydrophobicContact CG2-CE 3.78Å; G136-M200 PolarHBondContact N-O 3.41Å; M200-I236 CarbonylContact C-O 3.56Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.49Å; M200-V238 HydrophobicContact CG-CG2 3.96Å; M200-V238 HydrophobicContact SD-CG2 3.88Å
201I98.9Very high98.6Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-108.1117.2176.9-51.5-58.1000109.1G136 I138 I144 V199 I203 F229 I236 F237 V238G136-I201 WeakPolarHBondContact O-CA 3.23Å; I138-I201 HydrophobicContact CB-CG2 4.46Å; I144-I201 HydrophobicContact CD1-CD1 3.95Å; V199-I201 HydrophobicContact CG1-CD1 3.61Å; V199-I201 HydrophobicContact CG1-CG1 4.06Å; I201-I203 HydrophobicContact CG2-CD1 3.83Å; I201-I203 HydrophobicContact CG2-CG1 3.71Å; I201-F229 HydrophobicContact CD1-CD2 4.31Å; I201-F229 HydrophobicContact CD1-CE2 3.87Å; I201-F229 HydrophobicContact CG1-CD2 4.25Å; I201-F229 HydrophobicContact CG1-CE2 4.31Å; I201-I236 PolarHBondContact N-O 3.42Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.88Å; I201-F237 HydrophobicContact CG1-CD1 4.2Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.19Å; I201-F237 HydrophobicContact CG2-CE1 4.25Å; I201-F237 WeakPolarHBondContact O-CA 3.28Å; I201-V238 PolarHBondContact O-N 3.13Å
202L98.8Very high98.6Very high4 Ų428.9 Ų28.92%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-92.7127.8175.9-174.963.5000110.2A12 A16 T44 C48 G136 T204 V238A12-L202 HydrophobicContact CB-CD1 4.2Å; A16-L202 HydrophobicContact CB-CD1 4.24Å; T44-L202 HydrophobicContact CG2-CB 4.1Å; T44-L202 HydrophobicContact CG2-CD2 3.92Å; T44-L202 HydrophobicContact CG2-CG 3.68Å; T44-L202 WeakPolarHBondContact CG2-O 3.32Å; T44-L202 WeakPolarHBondContact O-CD2 3.46Å; C48-L202 HydrophobicContact CB-CD2 4.41Å; G136-L202 PolarHBondContact O-N 2.83Å; L202-T204 HydrophobicContact CD1-CG2 4.5Å; L202-V238 CarbonylContact C-O 3.56Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.91Å; L202-V238 HydrophobicContact CD1-CG1 3.85Å
203I98.8Very high98.6Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-138.7112.4-171-49.6179.6000110I138 I201 K208 L212 F237 V238 C239 D240 A243I138-I203 HydrophobicContact CB-CD1 4.35Å; I138-I203 HydrophobicContact CB-CG1 4.38Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.81Å; I138-I203 HydrophobicContact CG2-CG1 3.62Å; I138-I203 HydrophobicContact CG2-CG2 3.55Å; I201-I203 HydrophobicContact CG2-CD1 3.83Å; I201-I203 HydrophobicContact CG2-CG1 3.71Å; I203-K208 HydrophobicContact CG2-CB 3.66Å; I203-K208 HydrophobicContact CG2-CG 4.4Å; I203-L212 HydrophobicContact CD1-CB 4.47Å; I203-L212 HydrophobicContact CD1-CD1 3.6Å; I203-L212 HydrophobicContact CD1-CD2 4.4Å; I203-L212 HydrophobicContact CD1-CG 4.36Å; I203-F237 HydrophobicContact CD1-CD1 3.79Å; I203-F237 HydrophobicContact CD1-CE1 4.42Å; I203-V238 PolarHBondContact N-O 2.75Å; I203-C239 HydrophobicContact CB-CB 4.17Å; I203-C239 WeakPolarHBondContact O-CA 3.41Å; I203-C239 VanDerWaalsContact O-CB 3.22Å; I203-C239 WeakPolarHBondContact O-CB 3.46Å; I203-D240 PolarHBondContact O-N 2.79Å; I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.83Å; I203-A243 WeakPolarHBondContact O-CB 3.23Å
204T98.6Very high98.6Very high8 Ų832.9 Ų32.95%0.04917%0.165CC..  trans-132.1141.6-17754.50000112.7Y9 A12 L202 H207 D240Y9-T204 HydrophobicContact CD2-CG2 3.88Å; A12-T204 HydrophobicContact CB-CG2 3.97Å; L202-T204 HydrophobicContact CD1-CG2 4.5Å; T204-H207 PolarHBondContact O-CE1 3.35Å; T204-H207 VanDerWaalsContact O-CE1 3.29Å; T204-D240 WeakPolarHBondContact CA-OD1 3.24Å; T204-D240 WeakPolarHBondContact CA-OD2 3.22Å; T204-D240 VanDerWaalsContact CB-OD2 3.32Å; T204-D240 WeakPolarHBondContact CB-OD2 3.44Å; T204-D240 HydrophobicContact CG2-CB 4.37Å
205G98.3Very high98.6Very high13 Ų1330.8 Ų30.813%0.13416%0.155CC..SBendtrans86.6152.1175.400000115.4H207 K208 D240G205-H207 PolarHBondContact O-N 2.62Å; G205-H207 VanDerWaalsContact O-N 3.11Å; G205-K208 PolarHBondContact O-N 3.33Å; G205-D240 VanDerWaalsContact N-CG 3.33Å; G205-D240 PolarHBondContact N-OD1 3.02Å; G205-D240 PolarHBondContact N-OD2 2.92Å
206A98.4Very high98.6Very high49 Ų4926.7 Ų26.741%0.40513%0.133SC..G310 helixtrans-58.6-32-173.500000113.8K208 A209 D242 L245A206-K208 PolarHBondContact O-N 2.96Å; A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 3.48Å; A206-D242 WeakPolarHBondContact CA-O 3.32Å; A206-D242 HydrophobicContact CB-CB 4.36Å; A206-L245 HydrophobicContact CB-CD1 3.61Å
207H96.3Very high98.6Very high118 Ų11828.5 Ų28.555%0.54614%0.141SC..G310 helixtrans-62.7-8.417769.2-71.9000114.3T204 G205T204-H207 PolarHBondContact O-CE1 3.35Å; T204-H207 VanDerWaalsContact O-CE1 3.29Å; G205-H207 PolarHBondContact O-N 2.62Å; G205-H207 VanDerWaalsContact O-N 3.11Å
208K98.2Very high98.6Very high21 Ų2125.7 Ų25.79%0.09113%0.129CC..G310 helixtrans-108.3-5.3174.2-57.6-58-174.9630113.8I138 P140 I203 G205 A206 F210 A211 L212I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.39Å; I138-K208 WeakPolarHBondContact O-CD 3.45Å; I138-K208 VanDerWaalsContact O-CE 3.32Å; I138-K208 WeakPolarHBondContact O-CE 3.3Å; I138-K208 PolarHBondContact O-NZ 2.95Å; P140-K208 HydrophobicContact CG-CD 4.38Å; I203-K208 HydrophobicContact CG2-CB 3.66Å; I203-K208 HydrophobicContact CG2-CG 4.4Å; G205-K208 PolarHBondContact O-N 3.33Å; A206-K208 PolarHBondContact O-N 2.96Å; K208-F210 PolarHBondContact O-N 3.35Å; K208-A211 PolarHBondContact O-N 3.19Å; K208-L212 PolarHBondContact O-N 3.39Å
209A98.8Very high98.6Very high3 Ų327.3 Ų27.33%0.02515%0.149CC..Hα-helixtrans-61.2-42.7-172.100000113A206 A211 L212 Y213 A243 L245 E246A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 3.48Å; A209-A211 PolarHBondContact O-N 3.35Å; A209-L212 PolarHBondContact O-N 2.98Å; A209-Y213 PolarHBondContact O-N 2.85Å; A209-A243 VanDerWaalsContact CA-O 3.23Å; A209-A243 WeakPolarHBondContact CA-O 3.32Å; A209-A243 WeakPolarHBondContact CB-O 3.39Å; A209-L245 HydrophobicContact CB-CB 4.02Å; A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.87Å
210F98.6Very high98.6Very high99 Ų9930 Ų3043%0.43417%0.166SC..Hα-helixtrans-64.8-40.8178-171.4-108.1000112.6K208 L212 Y213 K214 W224 E246K208-F210 PolarHBondContact O-N 3.35Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 3.43Å; F210-Y213 HydrophobicContact CD2-CD1 4.18Å; F210-Y213 HydrophobicContact CE2-CD1 4.14Å; F210-Y213 HydrophobicContact CE2-CE1 4.36Å; F210-Y213 WeakPolarHBondContact O-CB 3.44Å; F210-Y213 PolarHBondContact O-N 2.93Å; F210-K214 HydrophobicContact CD1-CG 4.24Å; F210-K214 HydrophobicContact CE1-CD 4.46Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.24Å; F210-K214 VanDerWaalsContact O-CG 3.32Å; F210-K214 WeakPolarHBondContact O-CG 3.33Å; F210-K214 PolarHBondContact O-N 3.1Å; F210-W224 AromaticContact CD1-CH2 3.88Å; F210-W224 HydrophobicContact CD1-CH2 3.88Å; F210-W224 HydrophobicContact CD1-CZ3 4.31Å; F210-W224 AromaticContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CZ2 4.01Å; F210-W224 HydrophobicContact CE1-CZ3 4.44Å; F210-E246 HydrophobicContact CB-CG 4.28Å; F210-E246 HydrophobicContact CD2-CG 4.49Å
211A98.6Very high98.5Very high1 Ų132.8 Ų32.81%0.00818%0.181CC..Hα-helixtrans-64.2-40.3176.200000111.5I138 G139 K208 A209 K214 A215 W224I138-A211 HydrophobicContact CD1-CB 3.67Å; I138-A211 HydrophobicContact CG1-CB 3.99Å; G139-A211 WeakPolarHBondContact O-CB 3.23Å; K208-A211 PolarHBondContact O-N 3.19Å; A209-A211 PolarHBondContact O-N 3.35Å; A211-K214 PolarHBondContact O-N 3.34Å; A211-A215 VanDerWaalsContact O-CB 3.31Å; A211-A215 WeakPolarHBondContact O-CB 3.26Å; A211-A215 PolarHBondContact O-N 2.68Å; A211-W224 HydrophobicContact CB-CZ3 4.42Å
212L98.9Very high98.5Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-61.6-49174.4-179.951.1000111.1I203 K208 A209 F210 K214 A215 I216 F237 C239 A243 L247I203-L212 HydrophobicContact CD1-CB 4.47Å; I203-L212 HydrophobicContact CD1-CD1 3.6Å; I203-L212 HydrophobicContact CD1-CD2 4.4Å; I203-L212 HydrophobicContact CD1-CG 4.36Å; K208-L212 PolarHBondContact O-N 3.39Å; A209-L212 PolarHBondContact O-N 2.98Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 3.43Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 3.36Å; L212-A215 PolarHBondContact O-N 2.83Å; L212-I216 HydrophobicContact CD1-CD1 3.73Å; L212-I216 HydrophobicContact CD1-CG1 4.08Å; L212-I216 HydrophobicContact CD1-CG2 3.89Å; L212-I216 HydrophobicContact CG-CD1 4.12Å; L212-I216 HydrophobicContact CG-CG1 4.5Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.91Å; L212-F237 HydrophobicContact CD1-CD1 4.37Å; L212-C239 HydrophobicContact CD2-CB 4.38Å; L212-A243 HydrophobicContact CD2-CB 4.37Å; L212-A243 WeakPolarHBondContact CD2-O 3.41Å; L212-L247 HydrophobicContact CD2-CD1 4.11Å; L212-L247 HydrophobicContact CG-CD1 4.39Å; L212-L247 HydrophobicContact CG-CD2 4.3Å
213Y98.9Very high98.5Very high53 Ų5341 Ų4121%0.20822%0.22CC..Hα-helixtrans-51.5-51174159.9-101.5000112.2A209 F210 A215 I216 E217 E218 E246A209-Y213 PolarHBondContact O-N 2.85Å; F210-Y213 HydrophobicContact CD2-CD1 4.18Å; F210-Y213 HydrophobicContact CE2-CD1 4.14Å; F210-Y213 HydrophobicContact CE2-CE1 4.36Å; F210-Y213 WeakPolarHBondContact O-CB 3.44Å; F210-Y213 PolarHBondContact O-N 2.93Å; Y213-A215 VanDerWaalsContact C-N 3.28Å; Y213-A215 PolarHBondContact O-N 2.6Å; Y213-I216 PolarHBondContact O-N 3.13Å; Y213-E217 HydrophobicContact CD2-CB 3.79Å; Y213-E217 HydrophobicContact CD2-CG 4.23Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.28Å; Y213-E217 HydrophobicContact CE2-CB 3.89Å; Y213-E217 WeakPolarHBondContact O-CB 2.93Å; Y213-E217 PolarHBondContact O-N 2.98Å; Y213-E218 HydrophobicContact CE1-CG 4.16Å; Y213-E218 PolarHBondContact O-N 2.89Å; Y213-E218 PolarHBondContact OH-OE1 3.05Å; Y213-E246 WeakPolarHBondContact CD2-O 3.41Å; Y213-E246 HydrophobicContact CG-CB 4.36Å
214K98.8Very high98.5Very high34 Ų3443.2 Ų43.215%0.14823%0.228CC..Hα-helixtrans-60.3-37.8177.3-71.4-64.5-165-179.80112.9F210 A211 L212 E218 W224F210-K214 HydrophobicContact CD1-CG 4.24Å; F210-K214 HydrophobicContact CE1-CD 4.46Å; F210-K214 HydrophobicContact CE1-CG 3.98Å; F210-K214 HydrophobicContact CZ-CD 4.34Å; F210-K214 HydrophobicContact CZ-CG 4.24Å; F210-K214 VanDerWaalsContact O-CG 3.32Å; F210-K214 WeakPolarHBondContact O-CG 3.33Å; F210-K214 PolarHBondContact O-N 3.1Å; A211-K214 PolarHBondContact O-N 3.34Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 3.36Å; K214-E218 HydrophobicContact CD-CG 4.17Å; K214-E218 WeakPolarHBondContact CD-OE2 3.41Å; K214-E218 IonicContact NZ-OE1 3.18Å; K214-E218 PolarHBondContact NZ-OE1 2.88Å; K214-E218 IonicContact NZ-OE2 3.38Å; K214-E218 PolarHBondContact NZ-OE2 3.25Å; K214-W224 HydrophobicContact CB-CB 4.25Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.53Å; K214-W224 HydrophobicContact CB-CG 3.7Å; K214-W224 HydrophobicContact CB-CZ2 4.49Å; K214-W224 HydrophobicContact CB-CZ3 4.17Å; K214-W224 HydrophobicContact CD-CD2 4.24Å; K214-W224 HydrophobicContact CD-CZ2 4.1Å; 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 3.94Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å
215A98.7Very high98.5Very high0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-74-31.7-177.300000113.8I138 A211 L212 Y213 V226 S227 Q230I138-A215 HydrophobicContact CD1-CB 4.08Å; A211-A215 VanDerWaalsContact O-CB 3.31Å; A211-A215 WeakPolarHBondContact O-CB 3.26Å; A211-A215 PolarHBondContact O-N 2.68Å; L212-A215 PolarHBondContact O-N 2.83Å; Y213-A215 VanDerWaalsContact C-N 3.28Å; Y213-A215 PolarHBondContact O-N 2.6Å; A215-V226 HydrophobicContact CB-CB 3.99Å; A215-V226 HydrophobicContact CB-CG1 3.77Å; A215-S227 WeakPolarHBondContact O-CA 3.31Å; A215-Q230 PolarHBondContact O-NE2 2.9Å
216I98.8Very high98.5Very high20 Ų2042.2 Ų42.210%0.10322%0.22CC..Hα-helixtrans-123-18.4-17076.3173.6000115.9M1 L3 L212 Y213 F237 L247M1-I216 HydrophobicContact CE-CB 4.03Å; M1-I216 HydrophobicContact CE-CD1 4.01Å; M1-I216 HydrophobicContact CE-CG1 4.41Å; M1-I216 HydrophobicContact SD-CB 3.98Å; M1-I216 HydrophobicContact SD-CG2 3.94Å; L3-I216 HydrophobicContact CD2-CD1 4.04Å; L212-I216 HydrophobicContact CD1-CD1 3.73Å; L212-I216 HydrophobicContact CD1-CG1 4.08Å; L212-I216 HydrophobicContact CD1-CG2 3.89Å; L212-I216 HydrophobicContact CG-CD1 4.12Å; L212-I216 HydrophobicContact CG-CG1 4.5Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.91Å; Y213-I216 PolarHBondContact O-N 3.13Å; I216-F237 HydrophobicContact CG2-CD2 4.34Å; I216-F237 HydrophobicContact CG2-CE1 4.2Å; I216-F237 HydrophobicContact CG2-CE2 3.96Å; I216-F237 HydrophobicContact CG2-CZ 3.89Å; I216-L247 HydrophobicContact CD1-CD1 4.06Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.04Å
217E98.8Very high98.5Very high41 Ų4139.9 Ų39.919%0.19220%0.2CC..THydrogen-bonded Turntrans-107.2-26.3176.7-65.8-157.2160.300113.8Y213 L247 R248 T251Y213-E217 HydrophobicContact CD2-CB 3.79Å; Y213-E217 HydrophobicContact CD2-CG 4.23Å; Y213-E217 WeakPolarHBondContact CD2-OE2 3.28Å; Y213-E217 HydrophobicContact CE2-CB 3.89Å; Y213-E217 WeakPolarHBondContact O-CB 2.93Å; Y213-E217 PolarHBondContact O-N 2.98Å; E217-L247 HydrophobicContact CG-CD2 3.98Å; E217-R248 WeakPolarHBondContact OE1-CB 3.27Å; E217-R248 PolarHBondContact OE1-N 2.89Å; E217-R248 WeakPolarHBondContact OE2-CD 3.36Å; E217-R248 VanDerWaalsContact OE2-CG 3.29Å; E217-R248 WeakPolarHBondContact OE2-CG 3.45Å; E217-R248 PolarHBondContact OE2-N 3.39Å; E217-R248 IonicContact OE2-NE 3.44Å; E217-T251 VanDerWaalsContact OE1-CB 3.23Å; E217-T251 WeakPolarHBondContact OE1-CB 3.38Å; E217-T251 PolarHBondContact OE1-OG1 2.77Å
218E98.7Very high98.7Very high62 Ų6234.4 Ų34.429%0.2918%0.176SC..SBendtrans-84.1-179.7164.6-66.1-165.8179.700111.2Y213 K214 Q230Y213-E218 HydrophobicContact CE1-CG 4.16Å; Y213-E218 PolarHBondContact O-N 2.89Å; Y213-E218 PolarHBondContact OH-OE1 3.05Å; K214-E218 HydrophobicContact CD-CG 4.17Å; K214-E218 WeakPolarHBondContact CD-OE2 3.41Å; K214-E218 IonicContact NZ-OE1 3.18Å; K214-E218 PolarHBondContact NZ-OE1 2.88Å; K214-E218 IonicContact NZ-OE2 3.38Å; K214-E218 PolarHBondContact NZ-OE2 3.25Å; E218-Q230 PolarHBondContact O-NE2 2.85Å
219G98.3Very high98.7Very high47 Ų4733.5 Ų33.549%0.48517%0.172SC..  trans-86.8169.3-17900000113.6N221G219-N221 PolarHBondContact O-N 3.27Å
220V98.8Very high98.7Very high57 Ų5737.4 Ų37.435%0.34519%0.189SC..  trans-51.8119.3170.8-179.80000110.5L153 Q230 Q231L153-V220 HydrophobicContact CD1-CG1 3.4Å; V220-Q230 HydrophobicContact CG2-CB 4.05Å; V220-Q231 HydrophobicContact CG2-CG 4.04Å
221N98.5Very high98.7Very high59 Ų5939.1 Ų39.132%0.31620%0.199SC..  trans-150.6128.7-175.3-172.9-21.9000111G219 M223 W224 S227G219-N221 PolarHBondContact O-N 3.27Å; N221-M223 PolarHBondContact O-N 2.82Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.34Å; N221-M223 WeakPolarHBondContact OD1-CG 3.31Å; N221-M223 PolarHBondContact OD1-N 2.94Å; N221-W224 CarbonylContact O-C 3.54Å; N221-W224 PolarHBondContact O-N 3.02Å; N221-W224 VanDerWaalsContact O-O 3.1Å; N221-S227 PolarHBondContact N-OG 3.42Å; N221-S227 PolarHBondContact O-OG 2.88Å; N221-S227 VanDerWaalsContact O-OG 3.06Å
222H98.4Very high98.7Very high91 Ų9139.5 Ų39.542%0.42120%0.2SC..THydrogen-bonded Turntrans-66.4-8.717875.8159.8000115.3G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 2.85Å; S151-H222 WeakPolarHBondContact O-CB 3.43Å; L153-H222 HydrophobicContact CD2-CB 4.03Å; L153-H222 HydrophobicContact CG-CB 4Å; H222-W224 VanDerWaalsContact C-N 3.34Å; H222-T225 WeakPolarHBondContact O-CG2 3.38Å
223M98.3Very high98.7Very high84 Ų8444.4 Ų44.441%0.41423%0.232SC..THydrogen-bonded Turntrans-78.8-19.3170.5-63.1-55.8-69.900112.9P149 N221P149-M223 HydrophobicContact CB-CE 3.61Å; P149-M223 WeakPolarHBondContact CB-O 3.13Å; P149-M223 HydrophobicContact CB-SD 4.08Å; N221-M223 PolarHBondContact O-N 2.82Å; N221-M223 VanDerWaalsContact O-N 3.1Å; N221-M223 WeakPolarHBondContact OD1-CB 3.34Å; N221-M223 WeakPolarHBondContact OD1-CG 3.31Å; N221-M223 PolarHBondContact OD1-N 2.94Å
224W98.6Very high98.7Very high47 Ų4747.4 Ų47.418%0.17825%0.248CC..SBendtrans-132.576.8179.3-55.493.6000107.5D141 G142 F210 A211 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.41Å; D141-W224 WeakPolarHBondContact O-CZ3 3.41Å; G142-W224 CarbonylContact O-C 3.33Å; F210-W224 AromaticContact CD1-CH2 3.88Å; F210-W224 HydrophobicContact CD1-CH2 3.88Å; F210-W224 HydrophobicContact CD1-CZ3 4.31Å; F210-W224 AromaticContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CZ2 4.01Å; F210-W224 HydrophobicContact CE1-CZ3 4.44Å; A211-W224 HydrophobicContact CB-CZ3 4.42Å; K214-W224 HydrophobicContact CB-CB 4.25Å; K214-W224 HydrophobicContact CB-CD2 3.41Å; K214-W224 VanDerWaalsContact CB-CD2 3.41Å; K214-W224 HydrophobicContact CB-CE3 3.53Å; K214-W224 HydrophobicContact CB-CG 3.7Å; K214-W224 HydrophobicContact CB-CZ2 4.49Å; K214-W224 HydrophobicContact CB-CZ3 4.17Å; K214-W224 HydrophobicContact CD-CD2 4.24Å; K214-W224 HydrophobicContact CD-CZ2 4.1Å; 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 3.94Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å; N221-W224 CarbonylContact O-C 3.54Å; N221-W224 PolarHBondContact O-N 3.02Å; N221-W224 VanDerWaalsContact O-O 3.1Å; H222-W224 VanDerWaalsContact C-N 3.34Å; W224-V226 PolarHBondContact O-N 3.05Å; W224-V226 VanDerWaalsContact O-N 3.09Å; W224-S227 WeakPolarHBondContact O-CB 3.41Å; W224-S227 PolarHBondContact O-N 2.8Å; W224-S227 PolarHBondContact O-OG 3.48Å
225T98.8Very high98.7Very high1 Ų145.9 Ų45.91%0.00624%0.241CC..G310 helixtrans-64.5-21.6-160.955.20000114.6G142 H143 I144 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-N 2.94Å; G142-T225 VanDerWaalsContact O-N 3.08Å; H143-T225 WeakPolarHBondContact CA-OG1 3.36Å; I144-T225 PolarHBondContact N-OG1 3.03Å; I144-T225 VanDerWaalsContact N-OG1 3.1Å; N147-T225 HydrophobicContact CB-CG2 4.25Å; N147-T225 WeakPolarHBondContact O-CG2 3.16Å; N147-T225 PolarHBondContact O-OG1 3.47Å; L153-T225 HydrophobicContact CD2-CG2 4.11Å; V190-T225 HydrophobicContact CG2-CG2 4.23Å; H222-T225 WeakPolarHBondContact O-CG2 3.38Å; T225-S227 PolarHBondContact O-N 2.93Å; T225-A228 WeakPolarHBondContact O-CB 3.3Å; T225-A228 PolarHBondContact O-N 2.94Å
226V98.8Very high98.7Very high0 Ų046 Ų460%024%0.242CC..G310 helixtrans-60.2-25.1169.1174.70000112.4I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CB-CG2 4.21Å; I138-V226 HydrophobicContact CD1-CB 4.06Å; I138-V226 HydrophobicContact CD1-CG1 4.12Å; I138-V226 HydrophobicContact CD1-CG2 4.05Å; I138-V226 HydrophobicContact CG1-CB 4.36Å; I138-V226 HydrophobicContact CG1-CG2 3.8Å; G142-V226 WeakPolarHBondContact O-CG2 3.48Å; G142-V226 PolarHBondContact O-N 3.5Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; A215-V226 HydrophobicContact CB-CB 3.99Å; A215-V226 HydrophobicContact CB-CG1 3.77Å; W224-V226 PolarHBondContact O-N 3.05Å; W224-V226 VanDerWaalsContact O-N 3.09Å; V226-A228 PolarHBondContact O-N 3.34Å; V226-A228 VanDerWaalsContact O-N 3.1Å; V226-F229 HydrophobicContact CB-CD2 4.44Å; V226-F229 HydrophobicContact CG1-CD2 3.97Å; V226-F229 HydrophobicContact CG1-CE2 4.42Å; V226-F229 WeakPolarHBondContact O-CD2 3.26Å; V226-F229 PolarHBondContact O-N 3Å; V226-F229 VanDerWaalsContact O-N 3.09Å; V226-F237 HydrophobicContact CG1-CE1 3.63Å; V226-F237 HydrophobicContact CG1-CZ 4.09Å
227S98.9Very high98.7Very high0 Ų045.1 Ų45.10%024%0.237CC..G310 helixtrans-60.5-18.3173.869.30000113.5A215 N221 W224 T225 F229 Q230A215-S227 WeakPolarHBondContact O-CA 3.31Å; N221-S227 PolarHBondContact N-OG 3.42Å; N221-S227 PolarHBondContact O-OG 2.88Å; N221-S227 VanDerWaalsContact O-OG 3.06Å; W224-S227 WeakPolarHBondContact O-CB 3.41Å; W224-S227 PolarHBondContact O-N 2.8Å; W224-S227 PolarHBondContact O-OG 3.48Å; T225-S227 PolarHBondContact O-N 2.93Å; S227-F229 PolarHBondContact O-N 3.21Å; S227-Q230 WeakPolarHBondContact O-CB 3.33Å; S227-Q230 VanDerWaalsContact O-CG 3.29Å; S227-Q230 WeakPolarHBondContact O-CG 3.27Å; S227-Q230 PolarHBondContact O-N 3.06Å; S227-Q230 VanDerWaalsContact O-N 3.12Å
228A98.9Very high98.7Very high3 Ų343.2 Ų43.23%0.02523%0.228CC..G310 helixtrans-55.5-34.4172.700000112.4L153 V190 M194 T225 V226 Q230 Q231L153-A228 HydrophobicContact CD2-CB 4.15Å; V190-A228 HydrophobicContact CG1-CB 3.52Å; M194-A228 HydrophobicContact SD-CB 4.2Å; T225-A228 WeakPolarHBondContact O-CB 3.3Å; T225-A228 PolarHBondContact O-N 2.94Å; V226-A228 PolarHBondContact O-N 3.34Å; V226-A228 VanDerWaalsContact O-N 3.1Å; A228-Q230 PolarHBondContact O-N 3.19Å; A228-Q230 VanDerWaalsContact O-N 3.11Å; A228-Q231 PolarHBondContact O-N 3.03Å
229F98.8Very high98.7Very high2 Ų240.2 Ų40.21%0.00922%0.215CC..G310 helixtrans-70.2-5.9-178.4-57.9-55.7000114.1I144 V193 M194 V199 I201 V226 S227 Q231 H232 T235 F237I144-F229 HydrophobicContact CB-CE2 4.14Å; I144-F229 HydrophobicContact CB-CZ 4.4Å; I144-F229 HydrophobicContact CD1-CE2 4.35Å; I144-F229 HydrophobicContact CD1-CZ 4.48Å; I144-F229 HydrophobicContact CG1-CE2 4.03Å; I144-F229 HydrophobicContact CG1-CZ 3.96Å; I144-F229 HydrophobicContact CG2-CE2 4.31Å; I144-F229 HydrophobicContact CG2-CZ 4.34Å; V193-F229 HydrophobicContact CB-CE1 4.22Å; V193-F229 HydrophobicContact CB-CZ 4.07Å; V193-F229 HydrophobicContact CG1-CE1 3.72Å; V193-F229 HydrophobicContact CG1-CZ 3.51Å; M194-F229 HydrophobicContact CG-CD1 4.4Å; M194-F229 HydrophobicContact CG-CE1 4.13Å; M194-F229 HydrophobicContact SD-CD1 3.44Å; M194-F229 WeakPolarHBondContact SD-CD1 3.27Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.43Å; V199-F229 HydrophobicContact CB-CD1 4.46Å; V199-F229 HydrophobicContact CB-CE1 4.47Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.94Å; V199-F229 HydrophobicContact CG1-CE2 4.31Å; V199-F229 HydrophobicContact CG1-CG 4.44Å; V199-F229 HydrophobicContact CG1-CZ 4.04Å; V199-F229 HydrophobicContact CG2-CD1 4.27Å; V199-F229 HydrophobicContact CG2-CE1 4.04Å; I201-F229 HydrophobicContact CD1-CD2 4.31Å; I201-F229 HydrophobicContact CD1-CE2 3.87Å; I201-F229 HydrophobicContact CG1-CD2 4.25Å; I201-F229 HydrophobicContact CG1-CE2 4.31Å; V226-F229 HydrophobicContact CB-CD2 4.44Å; V226-F229 HydrophobicContact CG1-CD2 3.97Å; V226-F229 HydrophobicContact CG1-CE2 4.42Å; V226-F229 WeakPolarHBondContact O-CD2 3.26Å; V226-F229 PolarHBondContact O-N 3Å; V226-F229 VanDerWaalsContact O-N 3.09Å; S227-F229 PolarHBondContact O-N 3.21Å; F229-Q231 PolarHBondContact O-N 3.4Å; F229-H232 HydrophobicContact CB-CB 4.28Å; F229-H232 HydrophobicContact CD1-CB 4.09Å; F229-H232 PolarHBondContact O-N 2.83Å; F229-H232 VanDerWaalsContact O-N 3.15Å; F229-T235 HydrophobicContact CB-CG2 3.89Å; F229-T235 HydrophobicContact CG-CG2 4.37Å; F229-F237 HydrophobicContact CB-CZ 4.36Å
230Q98.8Very high98.7Very high84 Ų8438.4 Ų38.439%0.39319%0.193SC..G310 helixtrans-59.6-25.4164.8-65.4-178.322.700112A215 E218 V220 S227 A228A215-Q230 PolarHBondContact O-NE2 2.9Å; E218-Q230 PolarHBondContact O-NE2 2.85Å; V220-Q230 HydrophobicContact CG2-CB 4.05Å; S227-Q230 WeakPolarHBondContact O-CB 3.33Å; S227-Q230 VanDerWaalsContact O-CG 3.29Å; S227-Q230 WeakPolarHBondContact O-CG 3.27Å; S227-Q230 PolarHBondContact O-N 3.06Å; S227-Q230 VanDerWaalsContact O-N 3.12Å; A228-Q230 PolarHBondContact O-N 3.19Å; A228-Q230 VanDerWaalsContact O-N 3.11Å
231Q98.8Very high98.7Very high136 Ų13638.1 Ų38.164%0.63619%0.188SC*.G310 helixtrans-100.50178-62.8-179.796.400113.2M194 V220 A228 F229M194-Q231 HydrophobicContact CE-CB 4.38Å; V220-Q231 HydrophobicContact CG2-CG 4.04Å; A228-Q231 PolarHBondContact O-N 3.03Å; F229-Q231 PolarHBondContact O-N 3.4Å
232H98.9Very high98.7Very high9 Ų939.4 Ų39.44%0.04220%0.196CC..  trans-82.8135176.2-173.7-93.4000109.7M194 A196 F229 H234 T235M194-H232 HydrophobicContact CE-CB 3.91Å; M194-H232 PolarHBondContact O-CD2 3.11Å; M194-H232 VanDerWaalsContact O-CD2 3.23Å; M194-H232 PolarHBondContact O-NE2 2.75Å; M194-H232 HydrophobicContact SD-CB 3.8Å; A196-H232 PolarHBondContact O-NE2 2.99Å; F229-H232 HydrophobicContact CB-CB 4.28Å; F229-H232 HydrophobicContact CD1-CB 4.09Å; F229-H232 PolarHBondContact O-N 2.83Å; F229-H232 VanDerWaalsContact O-N 3.15Å; H232-H234 VanDerWaalsContact C-N 3.33Å; H232-H234 PolarHBondContact CE1-O 3.44Å; H232-H234 PolarHBondContact ND1-N 3.06Å; H232-H234 VanDerWaalsContact ND1-N 3.14Å; H232-H234 PolarHBondContact ND1-O 3.38Å; H232-H234 PolarHBondContact O-N 2.63Å; H232-T235 WeakPolarHBondContact CB-OG1 3.3Å; H232-T235 PolarHBondContact ND1-OG1 2.82Å
233P98.5Very high98.8Very high103 Ų10335.1 Ų35.167%0.66918%0.175SC*.SBendtrans-62.4-42.1-175.323.6-33.7000111.7
234H98.6Very high98.8Very high115 Ų11531.6 Ų31.653%0.53216%0.159SC..SBendtrans-127.480.4-169.4-71.6-165000111.3E198 V199 H232E198-H234 WeakPolarHBondContact CA-O 3.08Å; E198-H234 HydrophobicContact CG-CB 4.5Å; V199-H234 PolarHBondContact N-O 3.45Å; H232-H234 VanDerWaalsContact C-N 3.33Å; H232-H234 PolarHBondContact CE1-O 3.44Å; H232-H234 PolarHBondContact ND1-N 3.06Å; H232-H234 VanDerWaalsContact ND1-N 3.14Å; H232-H234 PolarHBondContact ND1-O 3.38Å; H232-H234 PolarHBondContact O-N 2.63Å
235T98.9Very high98.8Very high2 Ų234.6 Ų34.61%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-117.3134.1174.3-59.30000112M1 R2 V199 F229 H232 F237M1-T235 CarbonylContact C-O 3.56Å; M1-T235 WeakPolarHBondContact CA-O 3.43Å; R2-T235 PolarHBondContact N-O 3.13Å; V199-T235 HydrophobicContact CB-CG2 4.34Å; V199-T235 HydrophobicContact CG1-CG2 4.35Å; V199-T235 CarbonylContact O-C 3.48Å; V199-T235 VanDerWaalsContact O-CA 3.28Å; V199-T235 WeakPolarHBondContact O-CA 3.41Å; F229-T235 HydrophobicContact CB-CG2 3.89Å; F229-T235 HydrophobicContact CG-CG2 4.37Å; H232-T235 WeakPolarHBondContact CB-OG1 3.3Å; H232-T235 PolarHBondContact ND1-OG1 2.82Å; T235-F237 HydrophobicContact CG2-CD2 4.03Å; T235-F237 HydrophobicContact CG2-CE2 3.53Å; T235-F237 HydrophobicContact CG2-CZ 3.86Å
236I98.9Very high98.8Very high2 Ų239.6 Ų39.61%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-115.8127.2173.5-51-176000108.8R2 V4 W15 Y19 V199 M200 I201 V238 L265R2-I236 HydrophobicContact CB-CB 4.5Å; R2-I236 HydrophobicContact CB-CG1 4.25Å; R2-I236 HydrophobicContact CB-CG2 4.22Å; R2-I236 WeakPolarHBondContact O-CA 3.4Å; V4-I236 HydrophobicContact CG2-CG2 3.92Å; W15-I236 HydrophobicContact CH2-CG2 4.14Å; W15-I236 HydrophobicContact CZ3-CG2 4.19Å; Y19-I236 HydrophobicContact CE1-CD1 3.8Å; Y19-I236 HydrophobicContact CE2-CD1 4.11Å; V199-I236 PolarHBondContact O-N 3.4Å; M200-I236 CarbonylContact C-O 3.56Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.49Å; I201-I236 PolarHBondContact N-O 3.42Å; I236-V238 HydrophobicContact CG2-CG2 3.99Å; I236-L265 HydrophobicContact CD1-CD1 4.47Å
237F98.9Very high98.8Very high3 Ų340.3 Ų40.31%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-101.4125.2167.7-67.2-86.9000108.1M1 R2 L3 V4 I201 I203 L212 I216 V226 F229 T235M1-F237 HydrophobicContact CB-CD2 4.08Å; M1-F237 HydrophobicContact CB-CE2 4.03Å; M1-F237 HydrophobicContact CG-CD2 4.5Å; M1-F237 HydrophobicContact SD-CD2 3.9Å; M1-F237 HydrophobicContact SD-CE2 3.9Å; R2-F237 PolarHBondContact O-N 3.28Å; L3-F237 CarbonylContact C-O 3.45Å; L3-F237 WeakPolarHBondContact CA-O 3.36Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; V4-F237 PolarHBondContact N-O 3.42Å; I201-F237 HydrophobicContact CB-CD1 3.72Å; I201-F237 HydrophobicContact CB-CE1 3.88Å; I201-F237 HydrophobicContact CG1-CD1 4.2Å; I201-F237 HydrophobicContact CG1-CE1 3.87Å; I201-F237 HydrophobicContact CG2-CD1 4.19Å; I201-F237 HydrophobicContact CG2-CE1 4.25Å; I201-F237 WeakPolarHBondContact O-CA 3.28Å; I203-F237 HydrophobicContact CD1-CD1 3.79Å; I203-F237 HydrophobicContact CD1-CE1 4.42Å; L212-F237 HydrophobicContact CD1-CD1 4.37Å; I216-F237 HydrophobicContact CG2-CD2 4.34Å; I216-F237 HydrophobicContact CG2-CE1 4.2Å; I216-F237 HydrophobicContact CG2-CE2 3.96Å; I216-F237 HydrophobicContact CG2-CZ 3.89Å; V226-F237 HydrophobicContact CG1-CE1 3.63Å; V226-F237 HydrophobicContact CG1-CZ 4.09Å; F229-F237 HydrophobicContact CB-CZ 4.36Å; T235-F237 HydrophobicContact CG2-CD2 4.03Å; T235-F237 HydrophobicContact CG2-CE2 3.53Å; T235-F237 HydrophobicContact CG2-CZ 3.86Å
238V98.9Very high98.8Very high0 Ų048.1 Ų48.10%023%0.234CC..EExtended strand (participates in β ladder)trans-113.6119.9176.5-174.70000107.2V4 L6 A12 W15 M200 I201 L202 I203 I236V4-V238 HydrophobicContact CB-CG2 4.45Å; L6-V238 HydrophobicContact CD2-CG1 3.78Å; A12-V238 HydrophobicContact CB-CG1 4.32Å; W15-V238 HydrophobicContact CB-CG1 4.47Å; W15-V238 HydrophobicContact CD2-CG1 4.46Å; W15-V238 HydrophobicContact CE3-CB 4.38Å; W15-V238 HydrophobicContact CE3-CG1 3.91Å; W15-V238 HydrophobicContact CE3-CG2 3.49Å; W15-V238 VanDerWaalsContact CE3-CG2 3.49Å; W15-V238 HydrophobicContact CZ3-CG2 3.44Å; W15-V238 VanDerWaalsContact CZ3-CG2 3.44Å; M200-V238 HydrophobicContact CG-CG2 3.96Å; M200-V238 HydrophobicContact SD-CG2 3.88Å; I201-V238 PolarHBondContact O-N 3.13Å; L202-V238 CarbonylContact C-O 3.56Å; L202-V238 WeakPolarHBondContact CA-O 3.33Å; L202-V238 HydrophobicContact CD1-CB 3.91Å; L202-V238 HydrophobicContact CD1-CG1 3.85Å; I203-V238 PolarHBondContact N-O 2.75Å; I236-V238 HydrophobicContact CG2-CG2 3.99Å
239C98.8Very high98.8Very high0 Ų052.8 Ų52.80%026%0.262CS..EExtended strand (participates in β ladder)trans-140.1157.6-175.869.20000113.8V4 I5 L6 I203 L212 A243V4-C239 PolarHBondContact O-N 3.41Å; V4-C239 PolarHBondContact O-SG 3.29Å; V4-C239 VanDerWaalsContact O-SG 3.41Å; I5-C239 WeakPolarHBondContact CA-O 3.31Å; L6-C239 WeakPolarHBondContact CD2-O 3.31Å; L6-C239 PolarHBondContact N-O 2.73Å; I203-C239 HydrophobicContact CB-CB 4.17Å; I203-C239 WeakPolarHBondContact O-CA 3.41Å; I203-C239 VanDerWaalsContact O-CB 3.22Å; I203-C239 WeakPolarHBondContact O-CB 3.46Å; L212-C239 HydrophobicContact CD2-CB 4.38Å; C239-A243 HydrophobicContact CB-CB 3.91Å
240D98.8Very high98.8Very high8 Ų861 Ų614%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-84.7170.7166.162.37.5000111.3L6 I203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.52Å; L6-D240 VanDerWaalsContact O-CA 3.22Å; L6-D240 WeakPolarHBondContact O-CA 3.41Å; I203-D240 PolarHBondContact O-N 2.79Å; T204-D240 WeakPolarHBondContact CA-OD1 3.24Å; T204-D240 WeakPolarHBondContact CA-OD2 3.22Å; T204-D240 VanDerWaalsContact CB-OD2 3.32Å; T204-D240 WeakPolarHBondContact CB-OD2 3.44Å; T204-D240 HydrophobicContact CG2-CB 4.37Å; G205-D240 VanDerWaalsContact N-CG 3.33Å; G205-D240 PolarHBondContact N-OD1 3.02Å; G205-D240 PolarHBondContact N-OD2 2.92Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.35Å; D240-A243 PolarHBondContact O-N 2.86Å; D240-A243 VanDerWaalsContact OD1-CB 3.24Å; D240-A243 WeakPolarHBondContact OD1-CB 3.37Å; D240-A243 PolarHBondContact OD1-N 3.23Å
241E98.7Very high98.8Very high51 Ų5158.4 Ų58.424%0.23829%0.288CS..SBendtrans-56.9-43.3177.5-73.3-67.814300111.9I5 L6 A243 T244 K256I5-E241 WeakPolarHBondContact CG2-OE1 3.35Å; L6-E241 PolarHBondContact O-N 2.98Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 3.01Å; E241-T244 WeakPolarHBondContact O-CA 3.45Å; E241-T244 WeakPolarHBondContact O-CB 3.45Å; E241-T244 PolarHBondContact O-N 3.11Å; E241-T244 PolarHBondContact O-OG1 2.93Å; E241-K256 WeakPolarHBondContact OE1-CE 3.47Å; E241-K256 IonicContact OE1-NZ 2.99Å; E241-K256 PolarHBondContact OE1-NZ 3.29Å; E241-K256 IonicContact OE2-NZ 2.75Å; E241-K256 PolarHBondContact OE2-NZ 2.9Å
242D98.8Very high98.8Very high87 Ų8752.9 Ų52.947%0.46526%0.263SS..G310 helixtrans-60.5-35.3-177.2-84.60.4000112.5A206 D240 T244 L245A206-D242 WeakPolarHBondContact CA-O 3.32Å; A206-D242 HydrophobicContact CB-CB 4.36Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.35Å; D242-T244 PolarHBondContact O-N 3.41Å; D242-L245 WeakPolarHBondContact O-CD1 3.48Å; D242-L245 WeakPolarHBondContact O-CG 3.32Å; D242-L245 PolarHBondContact O-N 3.5Å
243A98.8Very high98.8Very high0 Ų059.6 Ų59.60%029%0.293CS..G310 helixtrans-67.2-13.9174.100000113.3I203 A209 L212 C239 D240 E241I203-A243 HydrophobicContact CB-CB 4.48Å; I203-A243 HydrophobicContact CG2-CB 3.83Å; I203-A243 WeakPolarHBondContact O-CB 3.23Å; A209-A243 VanDerWaalsContact CA-O 3.23Å; A209-A243 WeakPolarHBondContact CA-O 3.32Å; A209-A243 WeakPolarHBondContact CB-O 3.39Å; L212-A243 HydrophobicContact CD2-CB 4.37Å; L212-A243 WeakPolarHBondContact CD2-O 3.41Å; C239-A243 HydrophobicContact CB-CB 3.91Å; D240-A243 PolarHBondContact O-N 2.86Å; D240-A243 VanDerWaalsContact OD1-CB 3.24Å; D240-A243 WeakPolarHBondContact OD1-CB 3.37Å; D240-A243 PolarHBondContact OD1-N 3.23Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 3.01Å
244T98.8Very high98.8Very high10 Ų1061.7 Ų61.76%0.06129%0.288CS..G310 helixtrans-95.20.9-177.772.60000114.6I5 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.2Å; I5-T244 HydrophobicContact CG1-CG2 4.27Å; I5-T244 HydrophobicContact CG2-CG2 3.93Å; E241-T244 WeakPolarHBondContact O-CA 3.45Å; E241-T244 WeakPolarHBondContact O-CB 3.45Å; E241-T244 PolarHBondContact O-N 3.11Å; E241-T244 PolarHBondContact O-OG1 2.93Å; D242-T244 PolarHBondContact O-N 3.41Å; T244-E246 PolarHBondContact O-N 3.3Å; T244-E246 VanDerWaalsContact O-N 3.1Å; T244-L247 HydrophobicContact CG2-CD1 4.1Å; T244-L247 WeakPolarHBondContact O-CB 3.33Å; T244-L247 PolarHBondContact O-N 2.96Å
245L98.8Very high98.8Very high111 Ų11157.1 Ų57.158%0.58127%0.267SS*.THydrogen-bonded Turntrans-57.3-30-171.1-70.5171000115A206 A209 D242A206-L245 HydrophobicContact CB-CD1 3.61Å; A209-L245 HydrophobicContact CB-CB 4.02Å; D242-L245 WeakPolarHBondContact O-CD1 3.48Å; D242-L245 WeakPolarHBondContact O-CG 3.32Å; D242-L245 PolarHBondContact O-N 3.5Å
246E98.8Very high98.8Very high105 Ų10561.2 Ų61.249%0.49128%0.284SS..THydrogen-bonded Turntrans-94.8-1.6179.6-64.8-64.7156.600113.2A209 F210 Y213 T244A209-E246 HydrophobicContact CB-CB 4.25Å; A209-E246 HydrophobicContact CB-CG 3.87Å; F210-E246 HydrophobicContact CB-CG 4.28Å; F210-E246 HydrophobicContact CD2-CG 4.49Å; Y213-E246 WeakPolarHBondContact CD2-O 3.41Å; Y213-E246 HydrophobicContact CG-CB 4.36Å; T244-E246 PolarHBondContact O-N 3.3Å; T244-E246 VanDerWaalsContact O-N 3.1Å
247L98.9Very high98.7Very high15 Ų1563.3 Ų63.38%0.07931%0.307CS..SBendtrans-80.3150.8178.8-59.6-175.9000111.5L3 L212 I216 E217 T244 V249 V252L3-L247 HydrophobicContact CD2-CD1 4.1Å; L212-L247 HydrophobicContact CD2-CD1 4.11Å; L212-L247 HydrophobicContact CG-CD1 4.39Å; L212-L247 HydrophobicContact CG-CD2 4.3Å; I216-L247 HydrophobicContact CD1-CD1 4.06Å; I216-L247 HydrophobicContact CD1-CD2 3.99Å; I216-L247 HydrophobicContact CG1-CD2 4.04Å; E217-L247 HydrophobicContact CG-CD2 3.98Å; T244-L247 HydrophobicContact CG2-CD1 4.1Å; T244-L247 WeakPolarHBondContact O-CB 3.33Å; T244-L247 PolarHBondContact O-N 2.96Å; L247-V249 PolarHBondContact O-N 3.28Å; L247-V252 HydrophobicContact CB-CG2 3.86Å; L247-V252 HydrophobicContact CD1-CG2 4.32Å
248R98.9Very high98.7Very high164 Ų16465.4 Ų65.462%0.61932%0.317SS*.  trans-64138.5171.7-68.4164-172.5-168.61.7109.7E217 K250 T251 V252E217-R248 WeakPolarHBondContact OE1-CB 3.27Å; E217-R248 PolarHBondContact OE1-N 2.89Å; E217-R248 WeakPolarHBondContact OE2-CD 3.36Å; E217-R248 VanDerWaalsContact OE2-CG 3.29Å; E217-R248 WeakPolarHBondContact OE2-CG 3.45Å; E217-R248 PolarHBondContact OE2-N 3.39Å; E217-R248 IonicContact OE2-NE 3.44Å; R248-K250 PolarHBondContact O-N 3.34Å; R248-T251 WeakPolarHBondContact O-CA 3.33Å; R248-T251 VanDerWaalsContact O-CB 3.32Å; R248-T251 WeakPolarHBondContact O-CB 3.36Å; R248-T251 PolarHBondContact O-N 2.9Å; R248-V252 PolarHBondContact O-N 3.21Å; R248-V252 VanDerWaalsContact O-N 3.16Å
249V98.6Very high98.7Very high101 Ų10166.6 Ų66.661%0.61232%0.323SS*.Hα-helixtrans-49.9-36.3173.2175.80000112.2L247 K253L247-V249 PolarHBondContact O-N 3.28Å; V249-K253 HydrophobicContact CG1-CD 3.91Å; V249-K253 HydrophobicContact CG1-CG 4.16Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.4Å; V249-K253 VanDerWaalsContact O-CG 3.28Å; V249-K253 WeakPolarHBondContact O-CG 3.2Å; V249-K253 PolarHBondContact O-N 2.8Å
250K98.7Very high98.6Very high174 Ų17472.8 Ų72.876%0.75735%0.352SS*.Hα-helixtrans-63.1-42.4177.5-172.5-177-65.8-178.20112.2R248 Y254R248-K250 PolarHBondContact O-N 3.34Å; K250-Y254 WeakPolarHBondContact O-CB 3.33Å; K250-Y254 PolarHBondContact O-N 3.06Å; K250-Y254 VanDerWaalsContact O-N 3.07Å
251T98.8Very high98.5Very high30 Ų3075.4 Ų75.418%0.18437%0.368CS..Hα-helixtrans-63-51.5178-52.70000110E217 R248 K253 Y254 F255E217-T251 VanDerWaalsContact OE1-CB 3.23Å; E217-T251 WeakPolarHBondContact OE1-CB 3.38Å; E217-T251 PolarHBondContact OE1-OG1 2.77Å; R248-T251 WeakPolarHBondContact O-CA 3.33Å; R248-T251 VanDerWaalsContact O-CB 3.32Å; R248-T251 WeakPolarHBondContact O-CB 3.36Å; R248-T251 PolarHBondContact O-N 2.9Å; T251-K253 PolarHBondContact O-N 2.82Å; T251-Y254 PolarHBondContact O-N 2.95Å; T251-F255 HydrophobicContact CG2-CD2 4.1Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.45Å; T251-F255 PolarHBondContact O-N 3.41Å
252V98.8Very high98.4Very high20 Ų2073.7 Ų73.712%0.12136%0.36CS..Hα-helixtrans-59.7-47.6178.4176.90000111.2I5 L247 R248 Y254 F255 K256I5-V252 HydrophobicContact CD1-CB 4.43Å; I5-V252 HydrophobicContact CD1-CG1 3.98Å; L247-V252 HydrophobicContact CB-CG2 3.86Å; L247-V252 HydrophobicContact CD1-CG2 4.32Å; R248-V252 PolarHBondContact O-N 3.21Å; R248-V252 VanDerWaalsContact O-N 3.16Å; V252-Y254 VanDerWaalsContact C-N 3.32Å; V252-Y254 PolarHBondContact O-N 2.9Å; V252-F255 PolarHBondContact O-N 3.02Å; V252-K256 HydrophobicContact CG1-CD 4Å; V252-K256 HydrophobicContact CG1-CG 4.17Å; V252-K256 WeakPolarHBondContact O-CB 3.05Å; V252-K256 WeakPolarHBondContact O-CG 3.42Å; V252-K256 PolarHBondContact O-N 2.72Å
253K98.6Very high98.4Very high151 Ų15172.4 Ų72.466%0.65735%0.353SS*.Hα-helixtrans-59.1-41.6178.9-80.1-176.7176.7-1770112.8V249 T251 G257V249-K253 HydrophobicContact CG1-CD 3.91Å; V249-K253 HydrophobicContact CG1-CG 4.16Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.4Å; V249-K253 VanDerWaalsContact O-CG 3.28Å; V249-K253 WeakPolarHBondContact O-CG 3.2Å; V249-K253 PolarHBondContact O-N 2.8Å; T251-K253 PolarHBondContact O-N 2.82Å; K253-G257 PolarHBondContact O-N 3.08Å
254Y98.8Very high98.3Very high146 Ų14678.9 Ų78.957%0.57338%0.383SS*.Hα-helixtrans-61-51.9178.3177.2-101.1000111.1K250 T251 V252 G257 L258K250-Y254 WeakPolarHBondContact O-CB 3.33Å; K250-Y254 PolarHBondContact O-N 3.06Å; K250-Y254 VanDerWaalsContact O-N 3.07Å; T251-Y254 PolarHBondContact O-N 2.95Å; V252-Y254 VanDerWaalsContact C-N 3.32Å; V252-Y254 PolarHBondContact O-N 2.9Å; Y254-G257 PolarHBondContact O-N 3.19Å; Y254-L258 HydrophobicContact CD1-CD1 4.11Å; Y254-L258 HydrophobicContact CE1-CD1 3.5Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.5Å; Y254-L258 HydrophobicContact CE1-CG 4.49Å; Y254-L258 PolarHBondContact O-N 2.85Å
255F98.7Very high98.3Very high19 Ų1980.4 Ų80.48%0.08339%0.391CS..Hα-helixtrans-73.1-34.5-176.6-75-69.2000113.8M1 L3 I5 T251 V252 G257 L258 M259M1-F255 HydrophobicContact CE-CE2 3.63Å; M1-F255 HydrophobicContact CE-CZ 3.64Å; M1-F255 HydrophobicContact CG-CZ 4.3Å; L3-F255 HydrophobicContact CB-CB 4.11Å; L3-F255 HydrophobicContact CB-CD1 3.7Å; L3-F255 HydrophobicContact CB-CD2 3.77Å; L3-F255 HydrophobicContact CB-CE1 3.98Å; L3-F255 HydrophobicContact CB-CE2 4.04Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.14Å; L3-F255 HydrophobicContact CD2-CB 4.27Å; L3-F255 HydrophobicContact CD2-CD2 3.71Å; L3-F255 HydrophobicContact CD2-CE2 4.29Å; L3-F255 HydrophobicContact CD2-CG 4.11Å; L3-F255 HydrophobicContact CG-CB 4.39Å; L3-F255 HydrophobicContact CG-CD2 4.3Å; L3-F255 HydrophobicContact CG-CG 4.27Å; I5-F255 HydrophobicContact CD1-CB 4.19Å; T251-F255 HydrophobicContact CG2-CD2 4.1Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.45Å; T251-F255 PolarHBondContact O-N 3.41Å; V252-F255 PolarHBondContact O-N 3.02Å; F255-G257 VanDerWaalsContact C-N 3.26Å; F255-G257 PolarHBondContact O-N 3.18Å; F255-L258 HydrophobicContact CD1-CD1 4.16Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 PolarHBondContact O-N 2.79Å; F255-M259 PolarHBondContact O-N 3.49Å
256K98.3Very high98.3Very high89 Ų8975.6 Ų75.639%0.38737%0.366SS..Hα-helixtrans-58.8-39.6167.7-75.9-166.7176.9-1750111.7I5 E241 V252 L258 M259I5-K256 HydrophobicContact CB-CG 4.49Å; I5-K256 HydrophobicContact CD1-CG 4.19Å; E241-K256 WeakPolarHBondContact OE1-CE 3.47Å; E241-K256 IonicContact OE1-NZ 2.99Å; E241-K256 PolarHBondContact OE1-NZ 3.29Å; E241-K256 IonicContact OE2-NZ 2.75Å; E241-K256 PolarHBondContact OE2-NZ 2.9Å; V252-K256 HydrophobicContact CG1-CD 4Å; V252-K256 HydrophobicContact CG1-CG 4.17Å; V252-K256 WeakPolarHBondContact O-CB 3.05Å; V252-K256 WeakPolarHBondContact O-CG 3.42Å; V252-K256 PolarHBondContact O-N 2.72Å; K256-L258 PolarHBondContact O-N 3.27Å; K256-M259 WeakPolarHBondContact O-CB 3.23Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.16Å
257G98.2Very high98.2Very high46 Ų4676.1 Ų76.147%0.47437%0.372SS..Hα-helixtrans-60.9-25.3174.100000114K253 Y254 F255 H260K253-G257 PolarHBondContact O-N 3.08Å; Y254-G257 PolarHBondContact O-N 3.19Å; F255-G257 VanDerWaalsContact C-N 3.26Å; F255-G257 PolarHBondContact O-N 3.18Å; G257-H260 PolarHBondContact O-CE1 3.15Å; G257-H260 PolarHBondContact O-ND1 2.92Å
258L98.2Very high98Very high46 Ų4679.6 Ų79.624%0.24140%0.396CS..THydrogen-bonded Turntrans-91.9-4.4178.5-63.4178.6000114.1Y254 F255 K256 H260 V261 H262Y254-L258 HydrophobicContact CD1-CD1 4.11Å; Y254-L258 HydrophobicContact CE1-CD1 3.5Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.5Å; Y254-L258 HydrophobicContact CE1-CG 4.49Å; Y254-L258 PolarHBondContact O-N 2.85Å; F255-L258 HydrophobicContact CD1-CD1 4.16Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 PolarHBondContact O-N 2.79Å; K256-L258 PolarHBondContact O-N 3.27Å; L258-H260 PolarHBondContact O-N 2.92Å; L258-V261 WeakPolarHBondContact O-CA 3.1Å; L258-V261 WeakPolarHBondContact O-CB 3.28Å; L258-V261 PolarHBondContact O-N 3.26Å; L258-H262 PolarHBondContact O-N 2.96Å
259M98.1Very high97.8Very high25 Ų2574.2 Ų74.212%0.12338%0.381CS..Hα-helixtrans-59.1-32.9-175.4-77.8-61.7-65.500113.4V4 I5 L6 F255 K256 V261 H262 N263V4-M259 HydrophobicContact CB-SD 4.35Å; V4-M259 HydrophobicContact CG1-CE 3.65Å; V4-M259 HydrophobicContact CG1-SD 3.74Å; I5-M259 WeakPolarHBondContact O-CE 3.46Å; L6-M259 HydrophobicContact CD1-CE 3.74Å; F255-M259 PolarHBondContact O-N 3.49Å; K256-M259 WeakPolarHBondContact O-CB 3.23Å; K256-M259 PolarHBondContact O-N 2.99Å; K256-M259 VanDerWaalsContact O-N 3.16Å; M259-V261 VanDerWaalsContact C-N 3.26Å; M259-V261 PolarHBondContact O-N 3.33Å; M259-H262 PolarHBondContact O-N 3.1Å; M259-N263 VanDerWaalsContact O-CB 3.25Å; M259-N263 WeakPolarHBondContact O-CB 3.47Å; M259-N263 PolarHBondContact O-N 3.43Å; M259-N263 PolarHBondContact O-ND2 2.9Å
260H96.8Very high97.6Very high130 Ų13071.7 Ų71.760%0.60236%0.364SS*.Hα-helixtrans-61.8-33.4174.271.8-79.5000113G257 L258G257-H260 PolarHBondContact O-CE1 3.15Å; G257-H260 PolarHBondContact O-ND1 2.92Å; L258-H260 PolarHBondContact O-N 2.92Å
261V97.5Very high97.5Very high64 Ų6463.8 Ų63.839%0.38833%0.331SS..Hα-helixtrans-78.2-46.4174.6-176.30000110.2L258 M259 N263 Q264L258-V261 WeakPolarHBondContact O-CA 3.1Å; L258-V261 WeakPolarHBondContact O-CB 3.28Å; L258-V261 PolarHBondContact O-N 3.26Å; M259-V261 VanDerWaalsContact C-N 3.26Å; M259-V261 PolarHBondContact O-N 3.33Å; V261-N263 VanDerWaalsContact C-N 3.28Å; V261-N263 PolarHBondContact O-N 3.44Å; V261-Q264 VanDerWaalsContact O-CB 3.3Å; V261-Q264 WeakPolarHBondContact O-CB 3.44Å; V261-Q264 PolarHBondContact O-N 3.45Å; V261-Q264 VanDerWaalsContact O-N 3.12Å
262H97.3Very high97.2Very high14 Ų1466 Ų667%0.06534%0.34CS..Hα-helixtrans-65.1-31.6-178.6-64.3162000112.6L3 V4 L258 M259 Q264 L265L3-H262 PolarHBondContact O-ND1 3.03Å; V4-H262 HydrophobicContact CG2-CB 4.35Å; L258-H262 PolarHBondContact O-N 2.96Å; M259-H262 PolarHBondContact O-N 3.1Å; H262-Q264 PolarHBondContact O-N 3.4Å; H262-L265 WeakPolarHBondContact O-CB 3.32Å; H262-L265 WeakPolarHBondContact O-CD1 3.38Å; H262-L265 VanDerWaalsContact O-CG 3.24Å; H262-L265 WeakPolarHBondContact O-CG 3.43Å; H262-L265 PolarHBondContact O-N 3.36Å; H262-L265 VanDerWaalsContact O-N 3.1Å
263N98.1Very high96.8Very high60 Ų6071 Ų7132%0.32136%0.36SS..G310 helixtrans-67.7-19.8176.2-74.9-15.1000113.1W15 M259 V261 L265 V266 D267W15-N263 PolarHBondContact NE1-OD1 2.88Å; M259-N263 VanDerWaalsContact O-CB 3.25Å; M259-N263 WeakPolarHBondContact O-CB 3.47Å; M259-N263 PolarHBondContact O-N 3.43Å; M259-N263 PolarHBondContact O-ND2 2.9Å; V261-N263 VanDerWaalsContact C-N 3.28Å; V261-N263 PolarHBondContact O-N 3.44Å; N263-L265 PolarHBondContact O-N 2.98Å; N263-L265 VanDerWaalsContact O-N 3.12Å; N263-V266 CarbonylContact O-C 3.59Å; N263-V266 WeakPolarHBondContact O-CG2 3.35Å; N263-V266 PolarHBondContact O-N 2.93Å; N263-D267 WeakPolarHBondContact O-CB 3.15Å; N263-D267 PolarHBondContact O-N 3.14Å
264Q97.8Very high96Very high136 Ų13670.2 Ų70.264%0.63636%0.363SS*.G310 helixtrans-64.2-15.4171.9-60.2177.6-12.200112.9V261 H262 V266 D267V261-Q264 VanDerWaalsContact O-CB 3.3Å; V261-Q264 WeakPolarHBondContact O-CB 3.44Å; V261-Q264 PolarHBondContact O-N 3.45Å; V261-Q264 VanDerWaalsContact O-N 3.12Å; H262-Q264 PolarHBondContact O-N 3.4Å; Q264-V266 VanDerWaalsContact C-N 3.28Å; Q264-D267 WeakPolarHBondContact CA-O 3.27Å
265L97.8Very high94.5Very high42 Ų4269.9 Ų69.922%0.2237%0.367CS..G310 helixtrans-74.9-20.8174.2-58.1172.1000112.6R2 W15 Y19 N22 I236 H262 N263R2-L265 VanDerWaalsContact NH1-CD1 3.25Å; W15-L265 HydrophobicContact CH2-CD1 4.19Å; W15-L265 HydrophobicContact CZ2-CB 4.34Å; W15-L265 HydrophobicContact CZ2-CD1 4.22Å; Y19-L265 HydrophobicContact CD2-CB 3.88Å; Y19-L265 HydrophobicContact CE2-CB 3.84Å; Y19-L265 HydrophobicContact CE2-CD1 4.14Å; Y19-L265 HydrophobicContact CE2-CD2 4.44Å; Y19-L265 HydrophobicContact CE2-CG 4.37Å; N22-L265 PolarHBondContact ND2-O 3.42Å; I236-L265 HydrophobicContact CD1-CD1 4.47Å; H262-L265 WeakPolarHBondContact O-CB 3.32Å; H262-L265 WeakPolarHBondContact O-CD1 3.38Å; H262-L265 VanDerWaalsContact O-CG 3.24Å; H262-L265 WeakPolarHBondContact O-CG 3.43Å; H262-L265 PolarHBondContact O-N 3.36Å; H262-L265 VanDerWaalsContact O-N 3.1Å; N263-L265 PolarHBondContact O-N 2.98Å; N263-L265 VanDerWaalsContact O-N 3.12Å
266V98.1Very high94.3Very high10 Ų1072.4 Ų72.46%0.06138%0.381CS..THydrogen-bonded Turntrans-126.30.2-175.6-61.50000112.9W15 K18 Y19 N263 Q264 V269W15-V266 HydrophobicContact CD2-CG1 4.04Å; W15-V266 HydrophobicContact CG-CG1 4.41Å; W15-V266 HydrophobicContact CG-CG2 4.41Å; W15-V266 HydrophobicContact CH2-CG1 4.45Å; W15-V266 HydrophobicContact CZ2-CG1 4Å; K18-V266 HydrophobicContact CB-CB 3.8Å; K18-V266 HydrophobicContact CB-CG1 3.87Å; K18-V266 HydrophobicContact CD-CB 4.4Å; Y19-V266 HydrophobicContact CD2-CG1 4.23Å; N263-V266 CarbonylContact O-C 3.59Å; N263-V266 WeakPolarHBondContact O-CG2 3.35Å; N263-V266 PolarHBondContact O-N 2.93Å; Q264-V266 VanDerWaalsContact C-N 3.28Å; V266-V269 WeakPolarHBondContact O-CG2 3.4Å
267D96.7Very high94.1Very high116 Ų11671.5 Ų71.562%0.6238%0.381SS*.SBendtrans-138.7113.3177.3-171.315.7000109.4N263 Q264N263-D267 WeakPolarHBondContact O-CB 3.15Å; N263-D267 PolarHBondContact O-N 3.14Å; Q264-D267 WeakPolarHBondContact CA-O 3.27Å
268P95.9Very high93.9Very high89 Ų8972.9 Ų72.958%0.57838%0.375SS*.SBendcis-69.1148.46.329.6-35.5000113.6N22 L270N22-P268 PolarHBondContact ND2-O 3.02Å; P268-L270 HydrophobicContact CG-CD2 4.35Å; P268-L270 PolarHBondContact O-N 3.49Å
269V93.9Very high93.6Very high51 Ų5174.5 Ų74.531%0.30938%0.383SS..  trans-79114.9168.7-173.90000108.1K18 R21 V266K18-V269 HydrophobicContact CD-CG2 3.85Å; K18-V269 HydrophobicContact CG-CG1 4.41Å; K18-V269 HydrophobicContact CG-CG2 4.14Å; R21-V269 VanDerWaalsContact CZ-CG1 3.42Å; V266-V269 WeakPolarHBondContact O-CG2 3.4Å
270L95.2Very high93.3Very high47 Ų4777.6 Ų77.625%0.24640%0.399CS..  trans-79.8140-174.4-56.9176.8000111.3R21 N22 V25 E26 P268R21-L270 PolarHBondContact NE-O 3.15Å; R21-L270 PolarHBondContact NH2-O 3.4Å; N22-L270 HydrophobicContact CB-CD1 4.23Å; N22-L270 WeakPolarHBondContact OD1-CB 3.3Å; N22-L270 PolarHBondContact OD1-N 3.47Å; V25-L270 HydrophobicContact CB-CB 4.23Å; V25-L270 HydrophobicContact CG1-CB 3.75Å; V25-L270 HydrophobicContact CG1-CD1 4.48Å; E26-L270 HydrophobicContact CG-CD1 3.33Å; E26-L270 WeakPolarHBondContact OE1-CD1 3.44Å; P268-L270 HydrophobicContact CG-CD2 4.35Å; P268-L270 PolarHBondContact O-N 3.49Å
271S95.3Very high93.1Very high9 Ų974.1 Ų74.16%0.06339%0.386CS..  trans-109.2143.8171.5-173.10000111.1D60 K273 D274D60-S271 WeakPolarHBondContact CA-OG 3.45Å; D60-S271 WeakPolarHBondContact CB-OG 3.38Å; D60-S271 PolarHBondContact OD1-OG 2.96Å; S271-K273 PolarHBondContact O-N 3.4Å; S271-K273 PolarHBondContact OG-N 3.33Å; S271-D274 WeakPolarHBondContact CB-OD2 3.22Å; S271-D274 PolarHBondContact O-N 2.63Å
272M92.6Very high92.8Very high77 Ų7774.9 Ų74.938%0.37939%0.386SS..G310 helixtrans-63.8-17168.572.5179.1-78.100112.8V25 G59 D60 S62 D274V25-M272 HydrophobicContact CG2-CB 4.48Å; G59-M272 WeakPolarHBondContact O-CG 3.43Å; D60-M272 WeakPolarHBondContact O-CG 3.39Å; D60-M272 PolarHBondContact O-N 3.19Å; S62-M272 VanDerWaalsContact CB-SD 3.58Å; S62-M272 PolarHBondContact N-SD 3.36Å; S62-M272 VanDerWaalsContact N-SD 3.43Å; M272-D274 PolarHBondContact O-N 3.46Å
273K90.6Very high92.5Very high125 Ų12579.5 Ų79.554%0.54341%0.411SS..G310 helixtrans-71.6-21.1175.9-62.9177.1-174.3140.80113.2S58 G59 D60 S271 Q275S58-K273 WeakPolarHBondContact O-CE 3.38Å; S58-K273 PolarHBondContact O-NZ 3.48Å; G59-K273 VanDerWaalsContact O-CE 3.27Å; G59-K273 WeakPolarHBondContact O-CE 3.49Å; G59-K273 WeakPolarHBondContact O-CG 3.37Å; D60-K273 WeakPolarHBondContact OD1-CE 3.21Å; D60-K273 IonicContact OD1-NZ 2.6Å; D60-K273 PolarHBondContact OD1-NZ 2.58Å; S271-K273 PolarHBondContact O-N 3.4Å; S271-K273 PolarHBondContact OG-N 3.33Å; K273-Q275 VanDerWaalsContact C-N 3.26Å
274D82.6Confident92Very high133 Ų13381.2 Ų81.271%0.71142%0.418SS*.G310 helixtrans-88.34.3-178.2-55.6-40.2000112.3S271 M272S271-D274 WeakPolarHBondContact CB-OD2 3.22Å; S271-D274 PolarHBondContact O-N 2.63Å; M272-D274 PolarHBondContact O-N 3.46Å
275Q67.4Low91.5Very high139 Ų13976.2 Ų76.265%0.6540%0.398SS*.  trans-116.10-177.7-61.2-166.9-5.400112V25 K273V25-Q275 HydrophobicContact CG1-CG 4.46Å; V25-Q275 PolarHBondContact O-NE2 2.82Å; V25-Q275 PolarHBondContact O-OE1 2.92Å; K273-Q275 VanDerWaalsContact C-N 3.26Å

Retrieved 275 of 275 residues in 462.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).