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Glucosamine-6-phosphate deaminase

Catalyzes the reversible isomerization-deamination of glucosamine 6-phosphate (GlcN6P) to form fructose 6-phosphate (Fru6P) and ammonium ion.

AlphaFold DB , UniProt , Accession P0A759, Species ECOLI (Escherichia coli (strain K12)), Gene nagB, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M96.7Very high97.5Very high91 Ų9143.7 Ų43.745%0.44823%0.234SC..  0162.2068.3176.263.900109.7Q230 A235 M237M1-Q230 HydrophobicContact CE-CB 4.41Å; M1-Q230 HydrophobicContact CE-CG 3.61Å; M1-A235 CarbonylContact C-O 3.49Å; M1-A235 VanDerWaalsContact CA-O 3.26Å; M1-A235 WeakPolarHBondContact CA-O 3.26Å; M1-A235 HydrophobicContact CB-CB 4.24Å; M1-M237 HydrophobicContact CE-CE 3.96Å; M1-M237 HydrophobicContact SD-CE 3.21Å; M1-M237 WeakPolarHBondContact SD-CE 3.37Å
2R98.4Very high97.6Very high67 Ų6740.2 Ų40.225%0.25322%0.215SC..EExtended strand (participates in β ladder)trans-108.1140.3163.8-64.5171.164-159.44108.8I4 A235 I236 M237 E259 N262R2-I4 HydrophobicContact CB-CD1 4.16Å; R2-A235 PolarHBondContact N-O 3.18Å; R2-I236 HydrophobicContact CB-CG1 4.34Å; R2-I236 HydrophobicContact CB-CG2 4.43Å; R2-I236 CarbonylContact O-C 3.58Å; R2-I236 WeakPolarHBondContact O-CA 3.37Å; R2-M237 PolarHBondContact O-N 3.23Å; R2-E259 WeakPolarHBondContact CG-OE1 3.48Å; R2-E259 IonicContact CZ-OE1 2.67Å; R2-E259 IonicContact CZ-OE2 2.8Å; R2-E259 IonicContact NE-OE1 3.35Å; R2-E259 PolarHBondContact NE-OE1 3.21Å; R2-E259 IonicContact NE-OE2 2.7Å; R2-E259 IonicContact NH2-OE1 3.38Å; R2-E259 IonicContact NH2-OE2 3.27Å; R2-E259 PolarHBondContact NH2-OE2 3.28Å; R2-N262 PolarHBondContact NH2-ND2 3.37Å
3L98.6Very high97.6Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-116.6125.1166.1179.372.9000106.5P5 L212 V216 M237 C239 L247 F255 E259L3-P5 VanDerWaalsContact C-CD 3.45Å; L3-P5 WeakPolarHBondContact O-CD 3.29Å; L3-L212 HydrophobicContact CD1-CD1 3.99Å; L3-V216 HydrophobicContact CD1-CG2 4.24Å; L3-V216 HydrophobicContact CD2-CG2 4.32Å; L3-M237 CarbonylContact C-O 3.58Å; L3-M237 WeakPolarHBondContact CA-O 2.88Å; L3-M237 HydrophobicContact CD1-CB 3.64Å; L3-C239 HydrophobicContact CD1-CB 4.46Å; L3-L247 HydrophobicContact CD2-CD1 4.13Å; L3-F255 HydrophobicContact CB-CB 4.07Å; L3-F255 HydrophobicContact CB-CD1 3.61Å; L3-F255 HydrophobicContact CB-CD2 3.81Å; L3-F255 HydrophobicContact CB-CE1 3.88Å; L3-F255 HydrophobicContact CB-CE2 4.07Å; L3-F255 HydrophobicContact CB-CG 3.56Å; L3-F255 HydrophobicContact CB-CZ 4.1Å; L3-F255 HydrophobicContact CD2-CB 4.22Å; L3-F255 HydrophobicContact CD2-CD2 3.52Å; L3-F255 HydrophobicContact CD2-CE2 4.02Å; L3-F255 HydrophobicContact CD2-CG 3.96Å; L3-F255 HydrophobicContact CG-CB 4.49Å; L3-F255 HydrophobicContact CG-CD2 4.28Å; L3-F255 HydrophobicContact CG-CG 4.29Å; L3-E259 WeakPolarHBondContact O-CG 3.39Å
4I98.5Very high97.6Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-106.788.6-179.2-43.9-57.8000107.6R2 L6 W15 I236 M237 V238 C239 E259 I263R2-I4 HydrophobicContact CB-CD1 4.16Å; I4-L6 HydrophobicContact CG2-CD1 4.24Å; I4-L6 HydrophobicContact CG2-CD2 4.34Å; I4-L6 HydrophobicContact CG2-CG 4.12Å; I4-L6 PolarHBondContact O-N 2.93Å; I4-W15 HydrophobicContact CD1-CH2 4.32Å; I4-W15 HydrophobicContact CD1-CZ2 3.85Å; I4-W15 HydrophobicContact CG1-CH2 3.88Å; I4-W15 HydrophobicContact CG1-CZ2 3.68Å; I4-W15 HydrophobicContact CG1-CZ3 4.33Å; I4-W15 HydrophobicContact CG2-CD2 4.14Å; I4-W15 HydrophobicContact CG2-CG 4.26Å; I4-W15 HydrophobicContact CG2-CZ2 4.35Å; I4-I236 HydrophobicContact CD1-CG2 4.42Å; I4-I236 HydrophobicContact CG1-CG2 3.82Å; I4-M237 PolarHBondContact N-O 3.15Å; I4-V238 HydrophobicContact CB-CB 4.42Å; I4-V238 HydrophobicContact CB-CG1 4.07Å; I4-V238 HydrophobicContact CB-CG2 4.4Å; I4-V238 HydrophobicContact CG1-CG2 4.22Å; I4-V238 HydrophobicContact CG2-CG1 4.33Å; I4-C239 PolarHBondContact O-N 2.79Å; I4-E259 HydrophobicContact CD1-CB 4.44Å; I4-E259 HydrophobicContact CD1-CG 3.76Å; I4-E259 WeakPolarHBondContact CD1-OE2 3.24Å; I4-I263 HydrophobicContact CG2-CG2 3.74Å
5P97.7Very high97.7Very high9 Ų938.5 Ų38.56%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-74.3118.1176.230.4-35.8000110.6L3 L252 F255 N256L3-P5 VanDerWaalsContact C-CD 3.45Å; L3-P5 WeakPolarHBondContact O-CD 3.29Å; P5-L252 HydrophobicContact CB-CD1 3.47Å; P5-L252 VanDerWaalsContact CB-CD1 3.47Å; P5-L252 HydrophobicContact CG-CD1 4.04Å; P5-F255 HydrophobicContact CG-CB 4.48Å; P5-N256 WeakPolarHBondContact CG-OD1 3.36Å
6L98Very high97.7Very high12 Ų1236.1 Ų36.16%0.06319%0.187CC..  trans-120.4166176.2-62.9170.3000109.5I4 Q11 V12 W15 V238 C239 D240 E241 I263 L266I4-L6 HydrophobicContact CG2-CD1 4.24Å; I4-L6 HydrophobicContact CG2-CD2 4.34Å; I4-L6 HydrophobicContact CG2-CG 4.12Å; I4-L6 PolarHBondContact O-N 2.93Å; L6-Q11 HydrophobicContact CB-CB 4.03Å; L6-Q11 HydrophobicContact CD1-CB 4.16Å; L6-Q11 HydrophobicContact CG-CB 4.47Å; L6-V12 HydrophobicContact CB-CG2 4.06Å; L6-V12 HydrophobicContact CD1-CB 4.45Å; L6-V12 HydrophobicContact CD1-CG2 4.01Å; L6-W15 HydrophobicContact CD1-CB 3.72Å; L6-W15 HydrophobicContact CD1-CG 4.18Å; L6-V238 HydrophobicContact CD1-CG1 3.82Å; L6-C239 PolarHBondContact N-O 3.07Å; L6-D240 CarbonylContact O-C 3.57Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 WeakPolarHBondContact O-CA 3.49Å; L6-E241 PolarHBondContact O-N 3.37Å; L6-I263 HydrophobicContact CD2-CB 3.89Å; L6-I263 HydrophobicContact CD2-CG2 3.76Å; L6-L266 HydrophobicContact CD2-CD1 3.72Å
7T96.5Very high97.8Very high79 Ų7933.9 Ų33.949%0.48518%0.176SC..SBendtrans-81.8-43.6-176.5-46.60000111.2E241T7-E241 PolarHBondContact O-N 2.91Å
8T97Very high97.8Very high64 Ų6436.6 Ų36.639%0.39318%0.183SC..SBendtrans-125.6156.6-169.667.90000113.7E10 Q11 V12T8-E10 PolarHBondContact O-N 2.88Å; T8-Q11 PolarHBondContact O-N 3.32Å; T8-Q11 VanDerWaalsContact O-N 3.15Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.42Å; T8-Q11 PolarHBondContact OG1-N 2.9Å; T8-V12 PolarHBondContact O-N 3.24Å; T8-V12 VanDerWaalsContact O-N 3.09Å
9A96.5Very high97.8Very high36 Ų3635.6 Ų35.630%0.29818%0.178SC..Hα-helixtrans-57.2-30.6172.100000113.8G13 T47 L204A9-G13 PolarHBondContact O-N 3.08Å; A9-T47 PolarHBondContact O-OG1 3.24Å; A9-L204 HydrophobicContact CB-CD1 3.87Å; A9-L204 HydrophobicContact CB-CD2 3.97Å; A9-L204 HydrophobicContact CB-CG 4.48Å
10E97.1Very high97.9Very high87 Ų8733.9 Ų33.941%0.40717%0.169SC..Hα-helixtrans-68.9-44.1176.5-175.960.9-163.400111.4T8 V12 G13 K14T8-E10 PolarHBondContact O-N 2.88Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.19Å; E10-G13 PolarHBondContact O-N 3.16Å; E10-K14 HydrophobicContact CG-CD 4.44Å; E10-K14 WeakPolarHBondContact O-CG 3.43Å; E10-K14 PolarHBondContact O-N 2.94Å; E10-K14 WeakPolarHBondContact OE1-CE 3.2Å; E10-K14 IonicContact OE1-NZ 3.72Å
11Q97.7Very high97.9Very high36 Ų3632.4 Ų32.417%0.16816%0.162CC..Hα-helixtrans-62.1-41.8175-73.7170.8-32.400111.4L6 T8 G13 K14 W15 L266L6-Q11 HydrophobicContact CB-CB 4.03Å; L6-Q11 HydrophobicContact CD1-CB 4.16Å; L6-Q11 HydrophobicContact CG-CB 4.47Å; T8-Q11 PolarHBondContact O-N 3.32Å; T8-Q11 VanDerWaalsContact O-N 3.15Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.42Å; T8-Q11 PolarHBondContact OG1-N 2.9Å; Q11-G13 VanDerWaalsContact C-N 3.33Å; Q11-G13 PolarHBondContact O-N 3.45Å; Q11-K14 PolarHBondContact O-N 3.04Å; Q11-W15 WeakPolarHBondContact O-CB 3.33Å; Q11-W15 PolarHBondContact O-N 3.45Å; Q11-L266 HydrophobicContact CB-CB 4.47Å; Q11-L266 HydrophobicContact CG-CB 4.22Å; Q11-L266 PolarHBondContact NE2-O 3.3Å
12V98.4Very high98Very high1 Ų132.6 Ų32.61%0.00617%0.165CC..Hα-helixtrans-58.2-47.1174.2171.90000110.9L6 T8 E10 K14 W15 A16 L202 L204 V238 D240L6-V12 HydrophobicContact CB-CG2 4.06Å; L6-V12 HydrophobicContact CD1-CB 4.45Å; L6-V12 HydrophobicContact CD1-CG2 4.01Å; T8-V12 PolarHBondContact O-N 3.24Å; T8-V12 VanDerWaalsContact O-N 3.09Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.19Å; V12-K14 PolarHBondContact O-N 3.09Å; V12-W15 PolarHBondContact O-N 3.15Å; V12-A16 VanDerWaalsContact O-CB 3.29Å; V12-A16 WeakPolarHBondContact O-CB 3.37Å; V12-A16 PolarHBondContact O-N 3.03Å; V12-L202 HydrophobicContact CG1-CB 4.44Å; V12-L202 HydrophobicContact CG1-CD2 4.12Å; V12-L204 HydrophobicContact CB-CD2 3.75Å; V12-L204 HydrophobicContact CG1-CD2 3.79Å; V12-L204 HydrophobicContact CG1-CG 4.41Å; V12-L204 HydrophobicContact CG2-CD2 3.65Å; V12-V238 HydrophobicContact CB-CG1 4.25Å; V12-V238 HydrophobicContact CG1-CB 4.17Å; V12-V238 HydrophobicContact CG1-CG1 3.8Å; V12-V238 HydrophobicContact CG2-CG1 4.22Å; V12-D240 HydrophobicContact CG2-CB 4.22Å
13G98.2Very high98Very high0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-55.8-51.9176.200000112.9A9 E10 Q11 A16 A17 T47 T48A9-G13 PolarHBondContact O-N 3.08Å; E10-G13 PolarHBondContact O-N 3.16Å; Q11-G13 VanDerWaalsContact C-N 3.33Å; Q11-G13 PolarHBondContact O-N 3.45Å; G13-A16 PolarHBondContact O-N 3.16Å; G13-A17 WeakPolarHBondContact O-CB 3.23Å; G13-A17 PolarHBondContact O-N 3.41Å; G13-T47 VanDerWaalsContact CA-OG1 3.25Å; G13-T47 WeakPolarHBondContact CA-OG1 3.38Å; G13-T48 WeakPolarHBondContact CA-OG1 3.42Å; G13-T48 PolarHBondContact O-OG1 3.45Å
14K97.6Very high98Very high88 Ų8834.1 Ų34.138%0.38317%0.171SC..Hα-helixtrans-64.1-42.7179.3-73.6178.1177.9168.60113E10 Q11 V12 A17 R18 L266E10-K14 HydrophobicContact CG-CD 4.44Å; E10-K14 WeakPolarHBondContact O-CG 3.43Å; E10-K14 PolarHBondContact O-N 2.94Å; E10-K14 WeakPolarHBondContact OE1-CE 3.2Å; E10-K14 IonicContact OE1-NZ 3.72Å; Q11-K14 PolarHBondContact O-N 3.04Å; V12-K14 PolarHBondContact O-N 3.09Å; K14-A17 PolarHBondContact O-N 2.95Å; K14-R18 VanDerWaalsContact O-CB 3.29Å; K14-R18 WeakPolarHBondContact O-CB 3.3Å; K14-R18 PolarHBondContact O-N 3.33Å; K14-L266 HydrophobicContact CB-CD2 4.36Å
15W98.2Very high98Very high7 Ų737.6 Ų37.63%0.02719%0.189CC..Hα-helixtrans-62.2-47.2177.3-171.9102.6000110.7I4 L6 Q11 V12 R18 H19 M200 I236 V238 N262 L266I4-W15 HydrophobicContact CD1-CH2 4.32Å; I4-W15 HydrophobicContact CD1-CZ2 3.85Å; I4-W15 HydrophobicContact CG1-CH2 3.88Å; I4-W15 HydrophobicContact CG1-CZ2 3.68Å; I4-W15 HydrophobicContact CG1-CZ3 4.33Å; I4-W15 HydrophobicContact CG2-CD2 4.14Å; I4-W15 HydrophobicContact CG2-CG 4.26Å; I4-W15 HydrophobicContact CG2-CZ2 4.35Å; L6-W15 HydrophobicContact CD1-CB 3.72Å; L6-W15 HydrophobicContact CD1-CG 4.18Å; Q11-W15 WeakPolarHBondContact O-CB 3.33Å; Q11-W15 PolarHBondContact O-N 3.45Å; V12-W15 PolarHBondContact O-N 3.15Å; W15-R18 PolarHBondContact O-N 2.84Å; W15-H19 HydrophobicContact CE3-CB 4.09Å; W15-H19 HydrophobicContact CH2-CB 4.05Å; W15-H19 AromaticContact CH2-CG 3.84Å; W15-H19 AromaticContact CH2-ND1 3.75Å; W15-H19 HydrophobicContact CZ3-CB 3.72Å; W15-H19 AromaticContact CZ3-CG 3.85Å; W15-H19 WeakPolarHBondContact O-CB 3.24Å; W15-H19 PolarHBondContact O-N 2.89Å; W15-M200 HydrophobicContact CE3-SD 4.34Å; W15-M200 HydrophobicContact CZ3-SD 3.74Å; W15-I236 HydrophobicContact CH2-CD1 4.1Å; W15-I236 HydrophobicContact CH2-CG2 3.79Å; W15-I236 HydrophobicContact CZ3-CG2 4.01Å; W15-V238 HydrophobicContact CB-CG1 4.4Å; W15-V238 HydrophobicContact CD2-CG1 4.25Å; W15-V238 HydrophobicContact CD2-CG2 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.33Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.44Å; W15-V238 VanDerWaalsContact CE3-CG2 3.44Å; W15-V238 HydrophobicContact CG-CG1 4.46Å; W15-V238 HydrophobicContact CH2-CG2 4.32Å; W15-V238 HydrophobicContact CZ3-CG2 3.39Å; W15-N262 PolarHBondContact NE1-O 2.85Å; W15-L266 HydrophobicContact CB-CD1 4.19Å; W15-L266 HydrophobicContact CB-CD2 4.2Å; W15-L266 VanDerWaalsContact CD1-CD1 3.47Å; W15-L266 HydrophobicContact CG-CD1 4.23Å
16A98.6Very high98.1Very high0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-62.3-44.4179.200000111.9V12 G13 H19 I20 T48 M200 L202V12-A16 VanDerWaalsContact O-CB 3.29Å; V12-A16 WeakPolarHBondContact O-CB 3.37Å; V12-A16 PolarHBondContact O-N 3.03Å; G13-A16 PolarHBondContact O-N 3.16Å; A16-H19 PolarHBondContact O-N 2.63Å; A16-I20 WeakPolarHBondContact O-CG1 3.3Å; A16-I20 PolarHBondContact O-N 3.42Å; A16-T48 HydrophobicContact CB-CG2 3.87Å; A16-M200 HydrophobicContact CB-CE 3.79Å; A16-M200 HydrophobicContact CB-SD 4.11Å; A16-L202 HydrophobicContact CB-CD1 4.37Å; A16-L202 HydrophobicContact CB-CD2 3.66Å
17A98.6Very high98.1Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-61.6-47.7176.500000111.4G13 K14 H19 I20 V21 T48 A51 L52 M55G13-A17 WeakPolarHBondContact O-CB 3.23Å; G13-A17 PolarHBondContact O-N 3.41Å; K14-A17 PolarHBondContact O-N 2.95Å; A17-H19 VanDerWaalsContact C-N 3.3Å; A17-H19 PolarHBondContact O-N 3.25Å; A17-I20 PolarHBondContact O-N 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3.02Å; A17-T48 HydrophobicContact CB-CG2 4.18Å; A17-A51 HydrophobicContact CB-CB 3.56Å; A17-L52 HydrophobicContact CB-CD2 3.88Å; A17-L52 HydrophobicContact CB-CG 3.9Å; A17-M55 HydrophobicContact CB-SD 4.19Å
18R97.8Very high98.2Very high81 Ų8146.2 Ų46.231%0.30623%0.233SC..Hα-helixtrans-58.4-41.7175.5-176.5177.766.3173.33.1111.8K14 W15 N22 M55 N262K14-R18 VanDerWaalsContact O-CB 3.29Å; K14-R18 WeakPolarHBondContact O-CB 3.3Å; K14-R18 PolarHBondContact O-N 3.33Å; W15-R18 PolarHBondContact O-N 2.84Å; R18-N22 VanDerWaalsContact O-CB 3.32Å; R18-N22 WeakPolarHBondContact O-CB 3.47Å; R18-N22 PolarHBondContact O-N 3.38Å; R18-N22 PolarHBondContact O-ND2 3.28Å; R18-M55 HydrophobicContact CB-CE 4.45Å; R18-N262 PolarHBondContact NH2-O 3.03Å
19H98.4Very high98.3Very high19 Ų1944.3 Ų44.39%0.08822%0.222CC..Hα-helixtrans-63-47.8177.2-170.873.8000111.6W15 A16 A17 V21 N22 R23 E198 M200W15-H19 HydrophobicContact CE3-CB 4.09Å; W15-H19 HydrophobicContact CH2-CB 4.05Å; W15-H19 AromaticContact CH2-CG 3.84Å; W15-H19 AromaticContact CH2-ND1 3.75Å; W15-H19 HydrophobicContact CZ3-CB 3.72Å; W15-H19 AromaticContact CZ3-CG 3.85Å; W15-H19 WeakPolarHBondContact O-CB 3.24Å; W15-H19 PolarHBondContact O-N 2.89Å; A16-H19 PolarHBondContact O-N 2.63Å; A17-H19 VanDerWaalsContact C-N 3.3Å; A17-H19 PolarHBondContact O-N 3.25Å; H19-V21 PolarHBondContact O-N 3.05Å; H19-N22 PolarHBondContact O-N 2.91Å; H19-R23 WeakPolarHBondContact O-CG 3.13Å; H19-R23 PolarHBondContact O-N 2.81Å; H19-E198 IonicContact CE1-OE1 3.53Å; H19-E198 PolarHBondContact CE1-OE1 2.82Å; H19-E198 VanDerWaalsContact CE1-OE1 3.31Å; H19-E198 IonicContact NE2-OE1 2.78Å; H19-E198 PolarHBondContact NE2-OE1 2.91Å; H19-E198 IonicContact NE2-OE2 3.61Å; H19-E198 PolarHBondContact NE2-OE2 3.21Å; H19-M200 HydrophobicContact CB-SD 4.37Å
20I98.9Very high98.4Very high0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-58.1-50176.3-70.6163.2000110.9A16 A17 N22 R23 I24 L37 T48 L52 L133 M135 M200A16-I20 WeakPolarHBondContact O-CG1 3.3Å; A16-I20 PolarHBondContact O-N 3.42Å; A17-I20 PolarHBondContact O-N 3.27Å; I20-N22 VanDerWaalsContact C-N 3.33Å; I20-N22 PolarHBondContact O-N 3.19Å; I20-R23 PolarHBondContact O-N 3.44Å; I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 2.84Å; I20-L37 HydrophobicContact CG2-CD1 4.43Å; I20-L37 HydrophobicContact CG2-CD2 4.14Å; I20-T48 HydrophobicContact CD1-CG2 4Å; I20-L52 HydrophobicContact CB-CD2 4.12Å; I20-L52 HydrophobicContact CD1-CD1 4.03Å; I20-L52 HydrophobicContact CG2-CD1 4.43Å; I20-L52 HydrophobicContact CG2-CD2 3.93Å; I20-L133 HydrophobicContact CB-CD2 4.35Å; I20-L133 HydrophobicContact CG1-CD2 3.62Å; I20-M135 HydrophobicContact CD1-CE 4.3Å; I20-M135 HydrophobicContact CD1-SD 3.75Å; I20-M200 HydrophobicContact CD1-CE 3.83Å; I20-M200 HydrophobicContact CG1-CE 3.87Å
21V98.8Very high98.5Very high4 Ų445.2 Ų45.22%0.02424%0.238CC..Hα-helixtrans-58.5-45.7178.4168.90000111.2A17 H19 R23 I24 N25 L52 M55 V61A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3.02Å; H19-V21 PolarHBondContact O-N 3.05Å; V21-R23 VanDerWaalsContact C-N 3.33Å; V21-R23 PolarHBondContact O-N 3.24Å; V21-I24 PolarHBondContact O-N 3.24Å; V21-N25 WeakPolarHBondContact CG1-ND2 3.47Å; V21-N25 WeakPolarHBondContact O-CB 3.34Å; V21-N25 PolarHBondContact O-N 3.1Å; V21-L52 HydrophobicContact CG2-CD2 3.84Å; V21-M55 HydrophobicContact CG2-CB 4.36Å; V21-M55 HydrophobicContact CG2-CE 4.43Å; V21-M55 HydrophobicContact CG2-SD 3.78Å; V21-V61 HydrophobicContact CB-CB 4.45Å; V21-V61 HydrophobicContact CG1-CB 4.01Å; V21-V61 HydrophobicContact CG1-CG2 4.42Å; V21-V61 HydrophobicContact CG2-CB 3.86Å; V21-V61 HydrophobicContact CG2-CG1 3.83Å; V21-V61 HydrophobicContact CG2-CG2 4.15Å
22N98.4Very high98.5Very high94 Ų9451.2 Ų51.250%0.50327%0.271SS..Hα-helixtrans-61.6-40.6178-73.4-14.8000112R18 H19 I20 A26R18-N22 VanDerWaalsContact O-CB 3.32Å; R18-N22 WeakPolarHBondContact O-CB 3.47Å; R18-N22 PolarHBondContact O-N 3.38Å; R18-N22 PolarHBondContact O-ND2 3.28Å; H19-N22 PolarHBondContact O-N 2.91Å; I20-N22 VanDerWaalsContact C-N 3.33Å; I20-N22 PolarHBondContact O-N 3.19Å; N22-A26 WeakPolarHBondContact O-CB 3.16Å; N22-A26 PolarHBondContact O-N 3.21Å
23R98.8Very high98.5Very high98 Ų9857.9 Ų57.937%0.3730%0.296SS..Hα-helixtrans-65.5-46.3176.7-69.1-53.7-167.4-159.4-1112.1H19 I20 V21 F27 F35 L133 E198H19-R23 WeakPolarHBondContact O-CG 3.13Å; H19-R23 PolarHBondContact O-N 2.81Å; I20-R23 PolarHBondContact O-N 3.44Å; V21-R23 VanDerWaalsContact C-N 3.33Å; V21-R23 PolarHBondContact O-N 3.24Å; R23-F27 VanDerWaalsContact O-CB 3.3Å; R23-F27 WeakPolarHBondContact O-CB 2.86Å; R23-F27 PolarHBondContact O-N 3.47Å; R23-F35 HydrophobicContact CB-CE2 4.01Å; R23-F35 HydrophobicContact CB-CZ 3.86Å; R23-L133 HydrophobicContact CB-CD2 4.5Å; R23-L133 HydrophobicContact CG-CD2 4.3Å; R23-E198 IonicContact CZ-OE1 3.91Å; R23-E198 IonicContact CZ-OE2 3.45Å; R23-E198 IonicContact NE-OE1 3.48Å; R23-E198 IonicContact NE-OE2 3.05Å; R23-E198 PolarHBondContact NE-OE2 3.1Å; R23-E198 IonicContact NH2-OE1 3.89Å; R23-E198 PolarHBondContact NH2-OE1 3.41Å; R23-E198 IonicContact NH2-OE2 2.75Å; R23-E198 PolarHBondContact NH2-OE2 3.37Å
24I98.9Very high98.5Very high1 Ų158.9 Ų58.91%0.00530%0.302CS..Hα-helixtrans-60-52.4177-68.2167.1000110.1I20 V21 A26 F27 K28 P29 F35 V61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 2.84Å; V21-I24 PolarHBondContact O-N 3.24Å; I24-A26 PolarHBondContact O-N 2.97Å; I24-F27 PolarHBondContact O-N 2.86Å; I24-F27 VanDerWaalsContact O-N 3.15Å; I24-K28 PolarHBondContact O-N 2.7Å; I24-K28 VanDerWaalsContact O-N 3.09Å; I24-P29 HydrophobicContact CG2-CG 4.1Å; I24-P29 VanDerWaalsContact O-CD 3.23Å; I24-P29 WeakPolarHBondContact O-CD 3.31Å; I24-F35 HydrophobicContact CD1-CD1 4.45Å; I24-F35 HydrophobicContact CG1-CD1 3.61Å; I24-F35 HydrophobicContact CG1-CD2 4.39Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CG 3.93Å; I24-F35 HydrophobicContact CG1-CZ 4.25Å; I24-V61 HydrophobicContact CB-CG2 4.32Å; I24-V61 HydrophobicContact CD1-CG2 4.14Å; I24-V61 HydrophobicContact CG2-CG2 3.98Å; I24-F63 HydrophobicContact CD1-CD1 4.5Å; I24-F63 HydrophobicContact CD1-CE1 3.92Å; I24-V66 HydrophobicContact CD1-CG2 4.03Å; I24-V66 HydrophobicContact CG1-CG2 4.33Å; I24-V66 HydrophobicContact CG2-CG2 4.18Å
25N98.8Very high98.6Very high73 Ų7355 Ų5539%0.3929%0.285SS..Hα-helixtrans-66.4-36.7-176-71.9-12.6000112.7V21 F27 K28 Q60V21-N25 WeakPolarHBondContact CG1-ND2 3.47Å; V21-N25 WeakPolarHBondContact O-CB 3.34Å; V21-N25 PolarHBondContact O-N 3.1Å; N25-F27 VanDerWaalsContact C-N 3.33Å; N25-K28 VanDerWaalsContact O-CG 3.26Å; N25-K28 WeakPolarHBondContact O-CG 3.39Å; N25-K28 PolarHBondContact O-N 3.48Å; N25-Q60 PolarHBondContact ND2-O 3.36Å
26A98.7Very high98.6Very high79 Ų7954.7 Ų54.765%0.65328%0.284SS*.Hα-helixtrans-67.6-35174.600000112.1N22 I24 K28N22-A26 WeakPolarHBondContact O-CB 3.16Å; N22-A26 PolarHBondContact O-N 3.21Å; I24-A26 PolarHBondContact O-N 2.97Å; A26-K28 VanDerWaalsContact C-N 3.33Å
27F98.8Very high98.6Very high41 Ų4154.7 Ų54.718%0.1828%0.284CS..Hα-helixtrans-71.4-28178.1-173.9-95.9000113.2R23 I24 N25 P29 R33 P34 F35 H132R23-F27 VanDerWaalsContact O-CB 3.3Å; R23-F27 WeakPolarHBondContact O-CB 2.86Å; R23-F27 PolarHBondContact O-N 3.47Å; I24-F27 PolarHBondContact O-N 2.86Å; I24-F27 VanDerWaalsContact O-N 3.15Å; N25-F27 VanDerWaalsContact C-N 3.33Å; F27-P29 HydrophobicContact CD1-CB 4.02Å; F27-P29 HydrophobicContact CE1-CB 4.37Å; F27-R33 HydrophobicContact CE1-CG 4.07Å; F27-R33 WeakPolarHBondContact CE1-O 3.33Å; F27-R33 HydrophobicContact CZ-CG 3.87Å; F27-R33 PolarHBondContact O-NH2 2.82Å; F27-P34 WeakPolarHBondContact CE1-O 3.31Å; F27-F35 HydrophobicContact CB-CD2 3.66Å; F27-F35 HydrophobicContact CB-CE2 4.2Å; F27-F35 HydrophobicContact CD1-CB 3.99Å; F27-F35 AromaticContact CD1-CD2 3.94Å; F27-F35 HydrophobicContact CD1-CD2 3.94Å; F27-F35 HydrophobicContact CD1-CG 4.49Å; F27-F35 HydrophobicContact CD2-CD2 4.27Å; F27-F35 HydrophobicContact CE1-CB 4.37Å; F27-F35 AromaticContact CG-CD2 3.71Å; F27-F35 HydrophobicContact CG-CD2 3.71Å; F27-F35 HydrophobicContact CG-CE2 4.48Å; F27-H132 AromaticContact CE2-CD2 3.51Å; F27-H132 AromaticContact CE2-NE2 3.24Å; F27-H132 WeakPolarHBondContact CE2-NE2 3.41Å; F27-H132 AromaticContact CZ-CD2 4Å; F27-H132 AromaticContact CZ-CE1 3.75Å; F27-H132 AromaticContact CZ-NE2 3.3Å; F27-H132 VanDerWaalsContact CZ-NE2 3.3Å; F27-H132 WeakPolarHBondContact CZ-NE2 3.24Å
28K98.7Very high98.6Very high161 Ų16154.7 Ų54.770%0.728%0.284SS*.  trans54.263.8-179.1-57.9179.4-178.2-178.10111.8I24 N25 A26I24-K28 PolarHBondContact O-N 2.7Å; I24-K28 VanDerWaalsContact O-N 3.09Å; N25-K28 VanDerWaalsContact O-CG 3.26Å; N25-K28 WeakPolarHBondContact O-CG 3.39Å; N25-K28 PolarHBondContact O-N 3.48Å; A26-K28 VanDerWaalsContact C-N 3.33Å
29P98.8Very high98.7Very high25 Ų2550.8 Ų50.816%0.16227%0.27CS..  trans-65.6146.1-173.328.9-36.6000112.5I24 F27 R33 F35 H65I24-P29 HydrophobicContact CG2-CG 4.1Å; I24-P29 VanDerWaalsContact O-CD 3.23Å; I24-P29 WeakPolarHBondContact O-CD 3.31Å; F27-P29 HydrophobicContact CD1-CB 4.02Å; F27-P29 HydrophobicContact CE1-CB 4.37Å; P29-R33 WeakPolarHBondContact CA-O 3.47Å; P29-F35 HydrophobicContact CB-CB 3.95Å; P29-F35 HydrophobicContact CG-CB 4.21Å; P29-H65 HydrophobicContact CB-CB 3.8Å; P29-H65 WeakPolarHBondContact CB-O 3.38Å; P29-H65 HydrophobicContact CG-CB 4.21Å
30T98.8Very high98.7Very high69 Ų6950.1 Ų50.142%0.42327%0.267SS..  trans-128.5173.7174.665.50000109.4D32 R33 P34T30-D32 VanDerWaalsContact C-N 3.3Å; T30-D32 PolarHBondContact O-N 2.8Å; T30-R33 PolarHBondContact N-O 2.9Å; T30-R33 CarbonylContact O-C 3.59Å; T30-R33 PolarHBondContact O-N 2.64Å; T30-R33 PolarHBondContact OG1-N 3.07Å; T30-P34 WeakPolarHBondContact O-CA 3.37Å
31A98.1Very high98.6Very high73 Ų7350.9 Ų50.960%0.60327%0.272SS*.SBendtrans-56.7-42.4176.300000112.7R33 H65A31-R33 VanDerWaalsContact C-N 3.35Å; A31-H65 PolarHBondContact N-ND1 2.88Å
32D97.9Very high98.3Very high161 Ų16151.6 Ų51.686%0.86128%0.28SS*.SBendtrans-82.3-13.8-179.2-54.2-46.1000113.4T30T30-D32 VanDerWaalsContact C-N 3.3Å; T30-D32 PolarHBondContact O-N 2.8Å
33R98.4Very high97.9Very high142 Ų14249.2 Ų49.254%0.53628%0.277SS..SBendtrans-140.373.9178.7-161.2-178.787.7173.95.4110.2F27 P29 T30 A31F27-R33 HydrophobicContact CE1-CG 4.07Å; F27-R33 WeakPolarHBondContact CE1-O 3.33Å; F27-R33 HydrophobicContact CZ-CG 3.87Å; F27-R33 PolarHBondContact O-NH2 2.82Å; P29-R33 WeakPolarHBondContact CA-O 3.47Å; T30-R33 PolarHBondContact N-O 2.9Å; T30-R33 CarbonylContact O-C 3.59Å; T30-R33 PolarHBondContact O-N 2.64Å; T30-R33 PolarHBondContact OG1-N 3.07Å; A31-R33 VanDerWaalsContact C-N 3.35Å
34P98.9Very high97.7Very high20 Ų2045.6 Ų45.613%0.1327%0.266CS..  trans-72156.1-179.129.8-35.1000111.7F27 T30 H65 V67 Y128F27-P34 WeakPolarHBondContact CE1-O 3.31Å; T30-P34 WeakPolarHBondContact O-CA 3.37Å; P34-H65 CarbonylContact C-O 3.59Å; P34-H65 WeakPolarHBondContact CA-O 3.39Å; P34-H65 VanDerWaalsContact CB-O 3.29Å; P34-H65 WeakPolarHBondContact CB-O 3.41Å; P34-V67 HydrophobicContact CB-CG2 3.72Å; P34-V67 HydrophobicContact CG-CG2 3.88Å; P34-Y128 HydrophobicContact CG-CD1 3.87Å; P34-Y128 HydrophobicContact CG-CE1 3.94Å
35F98.9Very high97.7Very high6 Ų645.7 Ų45.73%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-83.5127.7167.2-174.8-86.9000108.7R23 I24 F27 P29 L37 H65 V66 V67 H132 L133R23-F35 HydrophobicContact CB-CE2 4.01Å; R23-F35 HydrophobicContact CB-CZ 3.86Å; I24-F35 HydrophobicContact CD1-CD1 4.45Å; I24-F35 HydrophobicContact CG1-CD1 3.61Å; I24-F35 HydrophobicContact CG1-CD2 4.39Å; I24-F35 HydrophobicContact CG1-CE1 3.79Å; I24-F35 HydrophobicContact CG1-CG 3.93Å; I24-F35 HydrophobicContact CG1-CZ 4.25Å; F27-F35 HydrophobicContact CB-CD2 3.66Å; F27-F35 HydrophobicContact CB-CE2 4.2Å; F27-F35 HydrophobicContact CD1-CB 3.99Å; F27-F35 AromaticContact CD1-CD2 3.94Å; F27-F35 HydrophobicContact CD1-CD2 3.94Å; F27-F35 HydrophobicContact CD1-CG 4.49Å; F27-F35 HydrophobicContact CD2-CD2 4.27Å; F27-F35 HydrophobicContact CE1-CB 4.37Å; F27-F35 AromaticContact CG-CD2 3.71Å; F27-F35 HydrophobicContact CG-CD2 3.71Å; F27-F35 HydrophobicContact CG-CE2 4.48Å; P29-F35 HydrophobicContact CB-CB 3.95Å; P29-F35 HydrophobicContact CG-CB 4.21Å; F35-L37 HydrophobicContact CD1-CB 4.16Å; F35-L37 HydrophobicContact CE1-CB 4.06Å; F35-L37 HydrophobicContact CE1-CD1 4.23Å; F35-H65 PolarHBondContact N-O 2.96Å; F35-V66 HydrophobicContact CB-CG2 4.37Å; F35-V66 CarbonylContact O-C 3.59Å; F35-V66 VanDerWaalsContact O-CA 3.27Å; F35-V66 WeakPolarHBondContact O-CA 3.42Å; F35-V67 PolarHBondContact O-N 3.37Å; F35-H132 HydrophobicContact CD2-CB 4.06Å; F35-H132 HydrophobicContact CE1-CB 4.32Å; F35-H132 HydrophobicContact CE2-CB 3.64Å; F35-H132 HydrophobicContact CZ-CB 3.79Å; F35-L133 HydrophobicContact CE1-CB 4.17Å; F35-L133 HydrophobicContact CZ-CB 3.83Å
36V99Very high97.6Very high1 Ų144.2 Ų44.21%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-102.9115.9-176.1-171.70000109.4V67 F69 Y128 I131 H132 L133V36-V67 CarbonylContact C-O 3.1Å; V36-V67 WeakPolarHBondContact CA-O 3.49Å; V36-F69 HydrophobicContact CG1-CD2 3.7Å; V36-F69 HydrophobicContact CG1-CE2 3.78Å; V36-Y128 HydrophobicContact CG2-CD1 4.42Å; V36-Y128 HydrophobicContact CG2-CG 4.19Å; V36-I131 HydrophobicContact CG1-CB 4.38Å; V36-I131 HydrophobicContact CG1-CG1 3.96Å; V36-H132 WeakPolarHBondContact CB-ND1 3.49Å; V36-H132 PolarHBondContact N-ND1 2.67Å; V36-H132 PolarHBondContact O-N 2.86Å; V36-L133 PolarHBondContact O-N 3.41Å
37L99Very high97.6Very high0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-117.4118.3-172.5179.762.7000111I20 F35 L39 F63 V66 V67 T68 F69 L133I20-L37 HydrophobicContact CG2-CD1 4.43Å; I20-L37 HydrophobicContact CG2-CD2 4.14Å; F35-L37 HydrophobicContact CD1-CB 4.16Å; F35-L37 HydrophobicContact CE1-CB 4.06Å; F35-L37 HydrophobicContact CE1-CD1 4.23Å; L37-L39 HydrophobicContact CD1-CD2 4.32Å; L37-L39 HydrophobicContact CD2-CD1 4.46Å; L37-L39 HydrophobicContact CD2-CD2 3.78Å; L37-L39 HydrophobicContact CD2-CG 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.76Å; L37-L39 HydrophobicContact CG-CG 4.05Å; L37-F63 HydrophobicContact CD2-CE1 4.49Å; L37-V66 HydrophobicContact CB-CG1 3.93Å; L37-V66 HydrophobicContact CD2-CG1 4.35Å; L37-V67 PolarHBondContact N-O 3.36Å; L37-T68 HydrophobicContact CB-CG2 4.46Å; L37-T68 CarbonylContact O-C 3.52Å; L37-T68 WeakPolarHBondContact O-CA 3.36Å; L37-F69 PolarHBondContact O-N 3.05Å; L37-L133 CarbonylContact C-O 3.53Å; L37-L133 WeakPolarHBondContact CA-O 3.31Å; L37-L133 HydrophobicContact CD1-CB 4.17Å; L37-L133 HydrophobicContact CD1-CD2 4.18Å; L37-L133 HydrophobicContact CD1-CG 4.13Å
38G98.9Very high97.6Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-84.1133.9171.300000111.4F69 L133 F134 M135G38-F69 CarbonylContact C-O 3.54Å; G38-F69 WeakPolarHBondContact CA-O 3.42Å; G38-L133 PolarHBondContact N-O 2.66Å; G38-F134 VanDerWaalsContact C-CD1 3.48Å; G38-F134 VanDerWaalsContact CA-CE1 3.49Å; G38-M135 PolarHBondContact O-N 2.99Å
39L98.9Very high97.6Very high0 Ų032.1 Ų32.10%019%0.193CC..EExtended strand (participates in β ladder)trans-128.2140.6-171.3-68.7179.2000113.2L37 Y49 T68 F69 N70 M71 M89 F93 F94 M135L37-L39 HydrophobicContact CD1-CD2 4.32Å; L37-L39 HydrophobicContact CD2-CD1 4.46Å; L37-L39 HydrophobicContact CD2-CD2 3.78Å; L37-L39 HydrophobicContact CD2-CG 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.76Å; L37-L39 HydrophobicContact CG-CG 4.05Å; L39-Y49 HydrophobicContact CD1-CE1 4.48Å; L39-Y49 HydrophobicContact CD2-CE1 4.06Å; L39-T68 HydrophobicContact CD1-CG2 3.67Å; L39-T68 HydrophobicContact CG-CG2 4.49Å; L39-F69 PolarHBondContact N-O 3.23Å; L39-N70 WeakPolarHBondContact O-CA 3.49Å; L39-N70 PolarHBondContact O-ND2 3.45Å; L39-M71 PolarHBondContact O-N 3.41Å; L39-M71 VanDerWaalsContact O-N 3.1Å; L39-M89 HydrophobicContact CB-CE 3.99Å; L39-M89 HydrophobicContact CD1-CE 3.61Å; L39-M89 HydrophobicContact CG-CE 4.41Å; L39-F93 HydrophobicContact CD1-CD1 4Å; L39-F93 HydrophobicContact CD1-CE1 3.81Å; L39-F94 HydrophobicContact CD1-CE1 3.97Å; L39-F94 HydrophobicContact CD1-CZ 4.29Å; L39-M135 HydrophobicContact CD2-CE 3.93Å
40P98.4Very high97.6Very high5 Ų537.1 Ų37.13%0.03221%0.212CC..  trans-98.8170.2173.236.5-27.2000112.2P45 Y49 M71 M135P40-P45 HydrophobicContact CG-CB 4.02Å; P40-P45 HydrophobicContact CG-CG 4.1Å; P40-Y49 WeakPolarHBondContact CD-OH 3.3Å; P40-Y49 PolarHBondContact O-OH 3.35Å; P40-M71 HydrophobicContact CB-SD 3.93Å; P40-M135 WeakPolarHBondContact CD-O 3.41Å; P40-M135 HydrophobicContact CG-CE 4.06Å; P40-M135 HydrophobicContact CG-CG 4.15Å; P40-M135 WeakPolarHBondContact CG-O 3.29Å
41T97Very high97.6Very high16 Ų1634.2 Ų34.210%0.09820%0.195CC..  trans-110.2-163.4165.964.20000110.9P45 Y85 F88 M89T41-P45 WeakPolarHBondContact O-CD 3.38Å; T41-P45 WeakPolarHBondContact O-CG 3.36Å; T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.83Å; T41-Y85 HydrophobicContact CG2-CE2 4.46Å; T41-Y85 HydrophobicContact CG2-CG 3.61Å; T41-Y85 VanDerWaalsContact OG1-CD2 3.31Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.35Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.43Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.3Å; T41-F88 HydrophobicContact CG2-CD1 3.67Å; T41-F88 HydrophobicContact CG2-CE1 4.1Å; T41-F88 HydrophobicContact CG2-CG 4.33Å; T41-M89 HydrophobicContact CG2-CG 4.14Å; T41-M89 HydrophobicContact CG2-SD 4.01Å
42G91.5Very high97.6Very high19 Ų1930.7 Ų30.720%0.19617%0.166CC..SBendtrans87.8-176.8177.900000113.8P45 F88G42-P45 WeakPolarHBondContact O-CD 3.36Å; G42-F88 VanDerWaalsContact O-CZ 3.25Å; G42-F88 WeakPolarHBondContact O-CZ 3.41Å
43G91.2Very high97.6Very high44 Ų4423.7 Ų23.745%0.45413%0.129SC..SBendtrans-73.4-30-17400000114.4M46G43-M46 WeakPolarHBondContact O-CB 3.31Å; G43-M46 WeakPolarHBondContact O-CG 3.38Å; G43-M46 PolarHBondContact O-N 3.47Å
44T95.2Very high97.7Very high22 Ų2223 Ų2314%0.13513%0.132CC..THydrogen-bonded Turntrans-62-47.6-174.6-58.10000114.5M46 L202 L204T44-M46 PolarHBondContact O-N 3.45Å; T44-L202 HydrophobicContact CG2-CB 3.52Å; T44-L202 HydrophobicContact CG2-CD1 4.49Å; T44-L204 HydrophobicContact CG2-CB 4.37Å; T44-L204 HydrophobicContact CG2-CD1 3.82Å; T44-L204 HydrophobicContact CG2-CG 3.93Å
45P97.9Very high97.7Very high2 Ų223.7 Ų23.71%0.01313%0.134CC..THydrogen-bonded Turntrans-76.10.1-177.832.6-40.1000114.6P40 T41 G42 T47 T48 Y49 M135P40-P45 HydrophobicContact CG-CB 4.02Å; P40-P45 HydrophobicContact CG-CG 4.1Å; T41-P45 WeakPolarHBondContact O-CD 3.38Å; T41-P45 WeakPolarHBondContact O-CG 3.36Å; G42-P45 WeakPolarHBondContact O-CD 3.36Å; P45-T47 PolarHBondContact O-N 3.01Å; P45-T48 WeakPolarHBondContact O-CA 3.33Å; P45-T48 WeakPolarHBondContact O-CB 3.27Å; P45-T48 PolarHBondContact O-N 3.31Å; P45-T48 VanDerWaalsContact O-N 3.1Å; P45-Y49 HydrophobicContact CB-CD2 4.02Å; P45-Y49 HydrophobicContact CB-CE2 3.59Å; P45-Y49 HydrophobicContact CG-CD2 4.27Å; P45-Y49 HydrophobicContact CG-CE2 3.68Å; P45-Y49 WeakPolarHBondContact O-CD2 3.33Å; P45-Y49 PolarHBondContact O-N 3.15Å; P45-M135 HydrophobicContact CB-CE 4.07Å
46M97.7Very high97.6Very high42 Ų4225.2 Ų25.221%0.20714%0.141CC..Hα-helixtrans-61.6-41-172.9-72.8-56.1-65.100113.8G43 T44 T48 Y49 K50 F88 N92G43-M46 WeakPolarHBondContact O-CB 3.31Å; G43-M46 WeakPolarHBondContact O-CG 3.38Å; G43-M46 PolarHBondContact O-N 3.47Å; T44-M46 PolarHBondContact O-N 3.45Å; M46-T48 VanDerWaalsContact C-N 3.31Å; M46-Y49 PolarHBondContact O-N 2.81Å; M46-K50 WeakPolarHBondContact O-CG 3.27Å; M46-K50 PolarHBondContact O-N 3.17Å; M46-K50 VanDerWaalsContact O-N 3.12Å; M46-F88 HydrophobicContact SD-CE2 3.86Å; M46-F88 HydrophobicContact SD-CZ 3.52Å; M46-F88 VanDerWaalsContact SD-CZ 3.52Å; M46-N92 HydrophobicContact CE-CB 4.06Å; M46-N92 WeakPolarHBondContact CE-OD1 3.26Å; M46-N92 HydrophobicContact SD-CB 4.2Å
47T97.5Very high97.6Very high27 Ų2732.2 Ų32.217%0.16617%0.171CC..Hα-helixtrans-67.8-35.1176.351.50000111.1A9 G13 P45 A51A9-T47 PolarHBondContact O-OG1 3.24Å; G13-T47 VanDerWaalsContact CA-OG1 3.25Å; G13-T47 WeakPolarHBondContact CA-OG1 3.38Å; P45-T47 PolarHBondContact O-N 3.01Å; T47-A51 WeakPolarHBondContact O-CB 3.31Å; T47-A51 PolarHBondContact O-N 3.41Å; T47-A51 VanDerWaalsContact O-N 3.11Å
48T98.8Very high97.6Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-63.9-47.6173-53.80000112.2G13 A16 A17 I20 P45 M46 K50 A51 L52 M135 L202G13-T48 WeakPolarHBondContact CA-OG1 3.42Å; G13-T48 PolarHBondContact O-OG1 3.45Å; A16-T48 HydrophobicContact CB-CG2 3.87Å; A17-T48 HydrophobicContact CB-CG2 4.18Å; I20-T48 HydrophobicContact CD1-CG2 4Å; P45-T48 WeakPolarHBondContact O-CA 3.33Å; P45-T48 WeakPolarHBondContact O-CB 3.27Å; P45-T48 PolarHBondContact O-N 3.31Å; P45-T48 VanDerWaalsContact O-N 3.1Å; M46-T48 VanDerWaalsContact C-N 3.31Å; T48-K50 PolarHBondContact O-N 3.24Å; T48-A51 PolarHBondContact O-N 3.39Å; T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.35Å; T48-L52 WeakPolarHBondContact O-CG 3.43Å; T48-L52 PolarHBondContact O-N 2.87Å; T48-M135 HydrophobicContact CG2-CE 4.15Å; T48-M135 HydrophobicContact CG2-SD 3.82Å; T48-L202 WeakPolarHBondContact OG1-CD1 3.4Å
49Y98.8Very high97.6Very high0 Ų038.5 Ų38.50%023%0.23CC..Hα-helixtrans-62.1-43.5179.4-69.8-47.2000112.3L39 P40 P45 M46 A51 L52 V53 F88 M89 F93 M135L39-Y49 HydrophobicContact CD1-CE1 4.48Å; L39-Y49 HydrophobicContact CD2-CE1 4.06Å; P40-Y49 WeakPolarHBondContact CD-OH 3.3Å; P40-Y49 PolarHBondContact O-OH 3.35Å; P45-Y49 HydrophobicContact CB-CD2 4.02Å; P45-Y49 HydrophobicContact CB-CE2 3.59Å; P45-Y49 HydrophobicContact CG-CD2 4.27Å; P45-Y49 HydrophobicContact CG-CE2 3.68Å; P45-Y49 WeakPolarHBondContact O-CD2 3.33Å; P45-Y49 PolarHBondContact O-N 3.15Å; M46-Y49 PolarHBondContact O-N 2.81Å; Y49-A51 PolarHBondContact O-N 2.94Å; Y49-L52 HydrophobicContact CD1-CD1 4.42Å; Y49-L52 PolarHBondContact O-N 2.88Å; Y49-V53 WeakPolarHBondContact O-CG2 3.3Å; Y49-V53 PolarHBondContact O-N 2.92Å; Y49-F88 HydrophobicContact CE2-CE1 4.03Å; Y49-M89 HydrophobicContact CE1-CE 4.26Å; Y49-M89 HydrophobicContact CE2-SD 4.36Å; Y49-F93 HydrophobicContact CD1-CB 3.86Å; Y49-F93 AromaticContact CD1-CD1 3.96Å; Y49-F93 HydrophobicContact CD1-CD1 3.96Å; Y49-F93 AromaticContact CD1-CD2 3.77Å; Y49-F93 HydrophobicContact CD1-CD2 3.77Å; Y49-F93 HydrophobicContact CD1-CE1 4.47Å; Y49-F93 HydrophobicContact CD1-CE2 4.31Å; Y49-F93 AromaticContact CD1-CG 3.59Å; Y49-F93 HydrophobicContact CD1-CG 3.59Å; Y49-F93 HydrophobicContact CE1-CB 4.29Å; Y49-F93 AromaticContact CE1-CD1 3.89Å; Y49-F93 HydrophobicContact CE1-CD1 3.89Å; Y49-F93 HydrophobicContact CE1-CE1 4.36Å; Y49-F93 AromaticContact CE1-CG 3.99Å; Y49-F93 HydrophobicContact CE1-CG 3.99Å; Y49-F93 HydrophobicContact CG-CB 4.16Å; Y49-F93 HydrophobicContact CG-CD2 4.47Å; Y49-F93 HydrophobicContact CG-CG 4.33Å; Y49-M135 HydrophobicContact CE1-CE 4.08Å
50K98.5Very high97.6Very high130 Ų13043.1 Ų43.157%0.56525%0.251SS*.Hα-helixtrans-57.1-49.2174.6-72175.6-178.4-178.70111.7M46 T48 L52 V53 E54M46-K50 WeakPolarHBondContact O-CG 3.27Å; M46-K50 PolarHBondContact O-N 3.17Å; M46-K50 VanDerWaalsContact O-N 3.12Å; T48-K50 PolarHBondContact O-N 3.24Å; K50-L52 PolarHBondContact O-N 3.36Å; K50-V53 PolarHBondContact O-N 3.47Å; K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 3.28Å
51A98.5Very high97.6Very high8 Ų843.3 Ų43.37%0.06625%0.252CS..Hα-helixtrans-63.7-39178.600000112.6A17 T47 T48 Y49 E54 M55A17-A51 HydrophobicContact CB-CB 3.56Å; T47-A51 WeakPolarHBondContact O-CB 3.31Å; T47-A51 PolarHBondContact O-N 3.41Å; T47-A51 VanDerWaalsContact O-N 3.11Å; T48-A51 PolarHBondContact O-N 3.39Å; Y49-A51 PolarHBondContact O-N 2.94Å; A51-E54 PolarHBondContact O-N 2.7Å; A51-M55 WeakPolarHBondContact O-CB 3.12Å; A51-M55 VanDerWaalsContact O-CG 3.23Å; A51-M55 WeakPolarHBondContact O-CG 3.43Å; A51-M55 PolarHBondContact O-N 2.87Å
52L98.9Very high97.7Very high0 Ų045 Ų450%026%0.264CS..Hα-helixtrans-63.1-42.4174.9-73.5174.4000112.2A17 I20 V21 T48 Y49 K50 M55 H56 F63 F93A17-L52 HydrophobicContact CB-CD2 3.88Å; A17-L52 HydrophobicContact CB-CG 3.9Å; I20-L52 HydrophobicContact CB-CD2 4.12Å; I20-L52 HydrophobicContact CD1-CD1 4.03Å; I20-L52 HydrophobicContact CG2-CD1 4.43Å; I20-L52 HydrophobicContact CG2-CD2 3.93Å; V21-L52 HydrophobicContact CG2-CD2 3.84Å; T48-L52 HydrophobicContact CG2-CD1 4.11Å; T48-L52 HydrophobicContact CG2-CG 4.35Å; T48-L52 WeakPolarHBondContact O-CG 3.43Å; T48-L52 PolarHBondContact O-N 2.87Å; Y49-L52 HydrophobicContact CD1-CD1 4.42Å; Y49-L52 PolarHBondContact O-N 2.88Å; K50-L52 PolarHBondContact O-N 3.36Å; L52-M55 PolarHBondContact O-N 3.27Å; L52-H56 WeakPolarHBondContact O-CB 3.44Å; L52-H56 PolarHBondContact O-N 2.98Å; L52-F63 HydrophobicContact CB-CZ 4.42Å; L52-F63 HydrophobicContact CD2-CZ 4.31Å; L52-F93 HydrophobicContact CB-CE2 3.88Å; L52-F93 HydrophobicContact CD1-CE2 4.11Å; L52-F93 HydrophobicContact CD1-CZ 4.12Å
53V98.9Very high98.1Very high13 Ų1344 Ų448%0.07926%0.255CS..Hα-helixtrans-62.8-43.5175.9169.20000111Y49 K50 H56 K57 F93 H96 V97Y49-V53 WeakPolarHBondContact O-CG2 3.3Å; Y49-V53 PolarHBondContact O-N 2.92Å; K50-V53 PolarHBondContact O-N 3.47Å; V53-H56 PolarHBondContact O-N 3.41Å; V53-K57 HydrophobicContact CG1-CD 4Å; V53-K57 WeakPolarHBondContact O-CB 3.36Å; V53-K57 WeakPolarHBondContact O-CG 3.32Å; V53-K57 PolarHBondContact O-N 2.97Å; V53-F93 HydrophobicContact CG2-CD2 4.05Å; V53-H96 HydrophobicContact CB-CB 4.38Å; V53-H96 HydrophobicContact CG1-CB 3.73Å; V53-H96 HydrophobicContact CG2-CB 3.65Å; V53-V97 HydrophobicContact CG2-CG1 4.07Å
54E98.7Very high98.4Very high127 Ų12747.6 Ų47.659%0.59326%0.258SS*.Hα-helixtrans-61.9-46.1175.6-72.5172.4-176.500111.8K50 A51 H56 K57 A58K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 3.28Å; A51-E54 PolarHBondContact O-N 2.7Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.27Å; E54-K57 PolarHBondContact O-N 2.95Å; E54-A58 WeakPolarHBondContact O-CB 3.38Å; E54-A58 PolarHBondContact O-N 3.41Å
55M98.8Very high98.6Very high35 Ų3549.2 Ų49.217%0.17226%0.264CS..Hα-helixtrans-63.5-38177.5-72.2176.8116.700112.1A17 R18 V21 A51 L52 A58 G59 Q60 V61A17-M55 HydrophobicContact CB-SD 4.19Å; R18-M55 HydrophobicContact CB-CE 4.45Å; V21-M55 HydrophobicContact CG2-CB 4.36Å; V21-M55 HydrophobicContact CG2-CE 4.43Å; V21-M55 HydrophobicContact CG2-SD 3.78Å; A51-M55 WeakPolarHBondContact O-CB 3.12Å; A51-M55 VanDerWaalsContact O-CG 3.23Å; A51-M55 WeakPolarHBondContact O-CG 3.43Å; A51-M55 PolarHBondContact O-N 2.87Å; L52-M55 PolarHBondContact O-N 3.27Å; M55-A58 PolarHBondContact O-N 3.49Å; M55-G59 PolarHBondContact O-N 3.3Å; M55-Q60 HydrophobicContact CB-CB 4.29Å; M55-Q60 WeakPolarHBondContact O-CB 3.48Å; M55-Q60 PolarHBondContact O-N 2.9Å; M55-V61 HydrophobicContact CB-CG1 4.36Å
56H98.9Very high98.7Very high38 Ų3849.1 Ų49.118%0.17626%0.264CS..Hα-helixtrans-63.8-50.6173.7172.356.4000111.8L52 V53 E54 A58 G59 V61 F63 V97 D98L52-H56 WeakPolarHBondContact O-CB 3.44Å; L52-H56 PolarHBondContact O-N 2.98Å; V53-H56 PolarHBondContact O-N 3.41Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.27Å; H56-A58 PolarHBondContact O-N 3.38Å; H56-G59 WeakPolarHBondContact O-CA 3.42Å; H56-G59 PolarHBondContact O-N 2.94Å; H56-V61 HydrophobicContact CB-CG1 4.09Å; H56-V61 PolarHBondContact ND1-O 3.18Å; H56-F63 HydrophobicContact CB-CD2 4.5Å; H56-F63 HydrophobicContact CB-CE2 4.21Å; H56-V97 HydrophobicContact CB-CG1 4.1Å; H56-D98 IonicContact CE1-OD1 3.67Å; H56-D98 PolarHBondContact CE1-OD1 3.32Å; H56-D98 IonicContact CE1-OD2 3.39Å; H56-D98 IonicContact ND1-OD1 3.28Å; H56-D98 PolarHBondContact ND1-OD1 3.44Å; H56-D98 PolarHBondContact NE2-N 2.91Å; H56-D98 IonicContact NE2-OD1 2.83Å
57K98.6Very high98.7Very high148 Ų14847.2 Ų47.264%0.64325%0.254SS*.Hα-helixtrans-60.8-28.6177.8-72.6174.2-179.8173.80112.6V53 E54 G59V53-K57 HydrophobicContact CG1-CD 4Å; V53-K57 WeakPolarHBondContact O-CB 3.36Å; V53-K57 WeakPolarHBondContact O-CG 3.32Å; V53-K57 PolarHBondContact O-N 2.97Å; E54-K57 PolarHBondContact O-N 2.95Å; K57-G59 VanDerWaalsContact C-N 3.28Å; K57-G59 PolarHBondContact O-N 3.14Å
58A98.7Very high98.8Very high66 Ų6645.9 Ų45.955%0.54525%0.246SC..THydrogen-bonded Turntrans-81.72.5173.300000114.3E54 M55 H56 Q60E54-A58 WeakPolarHBondContact O-CB 3.38Å; E54-A58 PolarHBondContact O-N 3.41Å; M55-A58 PolarHBondContact O-N 3.49Å; H56-A58 PolarHBondContact O-N 3.38Å; A58-Q60 VanDerWaalsContact C-N 3.32Å; A58-Q60 HydrophobicContact CB-CG 4.17Å; A58-Q60 PolarHBondContact O-N 3.3Å
59G98.6Very high98.8Very high66 Ų6645.9 Ų45.968%0.6825%0.246SC*.THydrogen-bonded Turntrans74.216.2178.800000115M55 H56 K57M55-G59 PolarHBondContact O-N 3.3Å; H56-G59 WeakPolarHBondContact O-CA 3.42Å; H56-G59 PolarHBondContact O-N 2.94Å; K57-G59 VanDerWaalsContact C-N 3.28Å; K57-G59 PolarHBondContact O-N 3.14Å
60Q98.8Very high98.8Very high98 Ų9845.9 Ų45.946%0.45825%0.246SC..SBendtrans-84.7-17.5-177.1-57.3177.735.900113.1N25 M55 A58N25-Q60 PolarHBondContact ND2-O 3.36Å; M55-Q60 HydrophobicContact CB-CB 4.29Å; M55-Q60 WeakPolarHBondContact O-CB 3.48Å; M55-Q60 PolarHBondContact O-N 2.9Å; A58-Q60 VanDerWaalsContact C-N 3.32Å; A58-Q60 HydrophobicContact CB-CG 4.17Å; A58-Q60 PolarHBondContact O-N 3.3Å
61V98.9Very high98.8Very high8 Ų839.9 Ų39.95%0.04822%0.22CC..  trans-153149.1179.266.80000110.5V21 I24 M55 H56 F63V21-V61 HydrophobicContact CB-CB 4.45Å; V21-V61 HydrophobicContact CG1-CB 4.01Å; V21-V61 HydrophobicContact CG1-CG2 4.42Å; V21-V61 HydrophobicContact CG2-CB 3.86Å; V21-V61 HydrophobicContact CG2-CG1 3.83Å; V21-V61 HydrophobicContact CG2-CG2 4.15Å; I24-V61 HydrophobicContact CB-CG2 4.32Å; I24-V61 HydrophobicContact CD1-CG2 4.14Å; I24-V61 HydrophobicContact CG2-CG2 3.98Å; M55-V61 HydrophobicContact CB-CG1 4.36Å; H56-V61 HydrophobicContact CB-CG1 4.09Å; H56-V61 PolarHBondContact ND1-O 3.18Å; V61-F63 HydrophobicContact CG1-CE2 3.74Å; V61-F63 HydrophobicContact CG1-CZ 4.24Å; V61-F63 HydrophobicContact CG2-CE2 4.42Å; V61-F63 HydrophobicContact CG2-CZ 4.47Å
62S98.9Very high98.8Very high51 Ų5139.9 Ų39.936%0.35722%0.219SC..  trans-123.4139.5169.6168.90000109.7K64 D98S62-K64 VanDerWaalsContact OG-CB 3.31Å; S62-K64 WeakPolarHBondContact OG-CB 3.47Å; S62-K64 PolarHBondContact OG-N 3.25Å; S62-D98 WeakPolarHBondContact CB-OD2 3.36Å; S62-D98 PolarHBondContact OG-OD2 3.15Å
63F98.9Very high98.8Very high0 Ų040.3 Ų40.30%022%0.221CC..  trans-99.34175.6-66-87.6000112.7I24 L37 L52 H56 V61 H65 V66 F93 V97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.5Å; I24-F63 HydrophobicContact CD1-CE1 3.92Å; L37-F63 HydrophobicContact CD2-CE1 4.49Å; L52-F63 HydrophobicContact CB-CZ 4.42Å; L52-F63 HydrophobicContact CD2-CZ 4.31Å; H56-F63 HydrophobicContact CB-CD2 4.5Å; H56-F63 HydrophobicContact CB-CE2 4.21Å; V61-F63 HydrophobicContact CG1-CE2 3.74Å; V61-F63 HydrophobicContact CG1-CZ 4.24Å; V61-F63 HydrophobicContact CG2-CE2 4.42Å; V61-F63 HydrophobicContact CG2-CZ 4.47Å; F63-H65 PolarHBondContact O-N 2.81Å; F63-H65 VanDerWaalsContact O-N 3.1Å; F63-V66 HydrophobicContact CB-CB 4.29Å; F63-V66 HydrophobicContact CB-CG2 4.39Å; F63-V66 HydrophobicContact CD1-CB 4Å; F63-V66 HydrophobicContact CD1-CG1 4.1Å; F63-V66 HydrophobicContact CD1-CG2 3.89Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 PolarHBondContact O-N 3.31Å; F63-F93 HydrophobicContact CD1-CZ 4.11Å; F63-F93 HydrophobicContact CE1-CE1 4.44Å; F63-F93 HydrophobicContact CE1-CE2 4.48Å; F63-F93 AromaticContact CE1-CZ 3.6Å; F63-F93 HydrophobicContact CE1-CZ 3.6Å; F63-F93 HydrophobicContact CE2-CE2 4.37Å; F63-F93 HydrophobicContact CE2-CZ 4.22Å; F63-F93 HydrophobicContact CZ-CE2 4.09Å; F63-F93 AromaticContact CZ-CZ 3.65Å; F63-F93 HydrophobicContact CZ-CZ 3.65Å; F63-V97 HydrophobicContact CB-CB 4.49Å; F63-V97 HydrophobicContact CB-CG2 4.25Å; F63-V97 HydrophobicContact CD2-CB 3.7Å; F63-V97 HydrophobicContact CD2-CG1 3.9Å; F63-V97 HydrophobicContact CD2-CG2 4.05Å; F63-V97 HydrophobicContact CE2-CB 4.28Å; F63-V97 HydrophobicContact CE2-CG1 3.95Å; F63-V97 HydrophobicContact CG-CB 4.28Å; F63-V97 HydrophobicContact CG-CG2 4.16Å; F63-D98 WeakPolarHBondContact CA-OD1 3.49Å; F63-D98 PolarHBondContact N-OD1 3.22Å; F63-I99 HydrophobicContact CB-CB 3.93Å; F63-I99 HydrophobicContact CB-CG1 4.5Å
64K98.9Very high98.7Very high119 Ų11939.8 Ų39.852%0.51722%0.217SC..THydrogen-bonded Turntrans-53.4-33.6179.4-176.3174.2-180178.40114.1S62 D98 P100S62-K64 VanDerWaalsContact OG-CB 3.31Å; S62-K64 WeakPolarHBondContact OG-CB 3.47Å; S62-K64 PolarHBondContact OG-N 3.25Å; K64-D98 WeakPolarHBondContact CA-O 3.4Å; K64-D98 PolarHBondContact N-O 3.02Å; K64-P100 WeakPolarHBondContact O-CD 3.45Å; K64-P100 VanDerWaalsContact O-CG 3.31Å; K64-P100 WeakPolarHBondContact O-CG 3.48Å
65H98.9Very high98.7Very high56 Ų5635.2 Ų35.226%0.25920%0.198SC..THydrogen-bonded Turntrans-11929.5177.6-60.5-48.4000111.9P29 A31 P34 F35 F63P29-H65 HydrophobicContact CB-CB 3.8Å; P29-H65 WeakPolarHBondContact CB-O 3.38Å; P29-H65 HydrophobicContact CG-CB 4.21Å; A31-H65 PolarHBondContact N-ND1 2.88Å; P34-H65 CarbonylContact C-O 3.59Å; P34-H65 WeakPolarHBondContact CA-O 3.39Å; P34-H65 VanDerWaalsContact CB-O 3.29Å; P34-H65 WeakPolarHBondContact CB-O 3.41Å; F35-H65 PolarHBondContact N-O 2.96Å; F63-H65 PolarHBondContact O-N 2.81Å; F63-H65 VanDerWaalsContact O-N 3.1Å
66V99Very high98.6Very high0 Ų036.1 Ų36.10%022%0.217CC..EExtended strand (participates in β ladder)trans-101.3132.9169.61780000108.5I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.03Å; I24-V66 HydrophobicContact CG1-CG2 4.33Å; I24-V66 HydrophobicContact CG2-CG2 4.18Å; F35-V66 HydrophobicContact CB-CG2 4.37Å; F35-V66 CarbonylContact O-C 3.59Å; F35-V66 VanDerWaalsContact O-CA 3.27Å; F35-V66 WeakPolarHBondContact O-CA 3.42Å; L37-V66 HydrophobicContact CB-CG1 3.93Å; L37-V66 HydrophobicContact CD2-CG1 4.35Å; F63-V66 HydrophobicContact CB-CB 4.29Å; F63-V66 HydrophobicContact CB-CG2 4.39Å; F63-V66 HydrophobicContact CD1-CB 4Å; F63-V66 HydrophobicContact CD1-CG1 4.1Å; F63-V66 HydrophobicContact CD1-CG2 3.89Å; F63-V66 HydrophobicContact CG-CG2 4.48Å; F63-V66 PolarHBondContact O-N 3.31Å; V66-T68 HydrophobicContact CG1-CG2 4.09Å; V66-N103 VanDerWaalsContact O-CB 3.31Å; V66-N103 WeakPolarHBondContact O-CB 3.45Å; V66-N103 PolarHBondContact O-ND2 2.84Å
67V99Very high98.6Very high1 Ų135 Ų351%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-107.1129170.8173.90000107.8P34 F35 V36 L37 F69 N103 N105 Y128P34-V67 HydrophobicContact CB-CG2 3.72Å; P34-V67 HydrophobicContact CG-CG2 3.88Å; F35-V67 PolarHBondContact O-N 3.37Å; V36-V67 CarbonylContact C-O 3.1Å; V36-V67 WeakPolarHBondContact CA-O 3.49Å; L37-V67 PolarHBondContact N-O 3.36Å; V67-F69 HydrophobicContact CG1-CD2 4.3Å; V67-F69 HydrophobicContact CG1-CE2 3.71Å; V67-F69 HydrophobicContact CG1-CZ 4.44Å; V67-N103 CarbonylContact C-O 3.54Å; V67-N103 WeakPolarHBondContact CA-O 3.14Å; V67-N103 HydrophobicContact CG2-CB 4.06Å; V67-N105 WeakPolarHBondContact CG1-ND2 3.43Å; V67-Y128 HydrophobicContact CB-CE1 4.47Å; V67-Y128 HydrophobicContact CG1-CD2 4.28Å; V67-Y128 HydrophobicContact CG1-CE1 4.26Å; V67-Y128 HydrophobicContact CG1-CE2 3.85Å; V67-Y128 HydrophobicContact CG2-CD1 4.44Å; V67-Y128 HydrophobicContact CG2-CE1 3.79Å
68T99Very high98.5Very high0 Ų031.8 Ų31.80%021%0.206CC..EExtended strand (participates in β ladder)trans-109.9144.8-176.958.70000112L37 L39 V66 F94 I99 N103 N105L37-T68 HydrophobicContact CB-CG2 4.46Å; L37-T68 CarbonylContact O-C 3.52Å; L37-T68 WeakPolarHBondContact O-CA 3.36Å; L39-T68 HydrophobicContact CD1-CG2 3.67Å; L39-T68 HydrophobicContact CG-CG2 4.49Å; V66-T68 HydrophobicContact CG1-CG2 4.09Å; T68-F94 HydrophobicContact CG2-CE1 4.1Å; T68-I99 HydrophobicContact CG2-CD1 3.53Å; T68-N103 PolarHBondContact N-O 3.37Å; T68-N105 WeakPolarHBondContact O-CA 3.44Å; T68-N105 WeakPolarHBondContact O-CB 3.43Å; T68-N105 PolarHBondContact O-N 2.88Å; T68-N105 PolarHBondContact O-ND2 3.36Å
69F99Very high98.4Very high0 Ų033.5 Ų33.50%020%0.201CC..EExtended strand (participates in β ladder)trans-129.1122169.2-73.5-92.3000109.2V36 L37 G38 L39 V67 N105 Y121 K124 I125 Y128 I131V36-F69 HydrophobicContact CG1-CD2 3.7Å; V36-F69 HydrophobicContact CG1-CE2 3.78Å; L37-F69 PolarHBondContact O-N 3.05Å; G38-F69 CarbonylContact C-O 3.54Å; G38-F69 WeakPolarHBondContact CA-O 3.42Å; L39-F69 PolarHBondContact N-O 3.23Å; V67-F69 HydrophobicContact CG1-CD2 4.3Å; V67-F69 HydrophobicContact CG1-CE2 3.71Å; V67-F69 HydrophobicContact CG1-CZ 4.44Å; F69-N105 HydrophobicContact CD1-CB 3.44Å; F69-N105 VanDerWaalsContact CD1-CB 3.44Å; F69-N105 HydrophobicContact CE1-CB 3.57Å; F69-N105 HydrophobicContact CG-CB 4Å; F69-N105 HydrophobicContact CZ-CB 4.23Å; F69-Y121 AromaticContact CD1-CE1 3.96Å; F69-Y121 HydrophobicContact CD1-CE1 3.96Å; F69-Y121 HydrophobicContact CD1-CE2 4.19Å; F69-Y121 AromaticContact CD1-CZ 3.77Å; F69-K124 HydrophobicContact CE1-CB 4.19Å; F69-K124 HydrophobicContact CE1-CD 4.47Å; F69-K124 HydrophobicContact CE1-CG 4.12Å; F69-K124 HydrophobicContact CZ-CB 4.44Å; F69-K124 HydrophobicContact CZ-CG 4.06Å; F69-I125 HydrophobicContact CD1-CD1 4.15Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CD2-CG1 4.32Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.48Å; F69-I125 VanDerWaalsContact CE1-CG1 3.48Å; F69-I125 HydrophobicContact CE2-CG1 4.34Å; F69-I125 HydrophobicContact CG-CG1 3.9Å; F69-I125 HydrophobicContact CZ-CG1 3.94Å; F69-Y128 AromaticContact CE2-CD2 3.93Å; F69-Y128 HydrophobicContact CE2-CD2 3.93Å; F69-Y128 HydrophobicContact CE2-CE2 4.26Å; F69-Y128 AromaticContact CZ-CD2 3.86Å; F69-Y128 HydrophobicContact CZ-CD2 3.86Å; F69-Y128 HydrophobicContact CZ-CE2 4.02Å; F69-I131 HydrophobicContact CB-CD1 4.34Å
70N98.8Very high98.2Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-82.7154.1174.5-93.272.9000112.3L39 M89 N105 L106 Y121L39-N70 WeakPolarHBondContact O-CA 3.49Å; L39-N70 PolarHBondContact O-ND2 3.45Å; N70-M89 VanDerWaalsContact ND2-CG 3.26Å; N70-M89 WeakPolarHBondContact ND2-CG 3.45Å; N70-M89 PolarHBondContact ND2-SD 2.91Å; N70-N105 PolarHBondContact N-O 3.34Å; N70-L106 HydrophobicContact CB-CD2 3.42Å; N70-L106 VanDerWaalsContact CB-CD2 3.42Å; N70-L106 HydrophobicContact CB-CG 4.29Å; N70-L106 VanDerWaalsContact CG-CD2 3.48Å; N70-Y121 PolarHBondContact N-OH 3.06Å; N70-Y121 PolarHBondContact O-OH 3.36Å
71M98.5Very high98.2Very high3 Ų334.5 Ų34.52%0.01519%0.188CC..SBendtrans-69.1-36.5-177.9-73.1-170.9158.900113.9L39 P40 F134 M135 G136 I144 A145 T187 V188 L193L39-M71 PolarHBondContact O-N 3.41Å; L39-M71 VanDerWaalsContact O-N 3.1Å; P40-M71 HydrophobicContact CB-SD 3.93Å; M71-F134 HydrophobicContact CE-CD1 3.5Å; M71-F134 HydrophobicContact CE-CE1 3.39Å; M71-F134 HydrophobicContact CE-CG 4.45Å; M71-F134 HydrophobicContact CE-CZ 4.2Å; M71-F134 HydrophobicContact CG-CD1 4.41Å; M71-F134 HydrophobicContact CG-CE1 3.39Å; M71-F134 HydrophobicContact CG-CZ 3.79Å; M71-F134 HydrophobicContact SD-CE1 4.28Å; M71-M135 VanDerWaalsContact CE-O 3.27Å; M71-M135 WeakPolarHBondContact CE-O 3.19Å; M71-G136 VanDerWaalsContact CE-CA 3.42Å; M71-I144 HydrophobicContact CE-CG2 4.06Å; M71-I144 HydrophobicContact SD-CG2 4.5Å; M71-A145 HydrophobicContact CB-CB 3.81Å; M71-A145 HydrophobicContact CG-CB 4.2Å; M71-A145 HydrophobicContact SD-CB 3.92Å; M71-T187 CarbonylContact O-C 3.51Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; M71-V188 HydrophobicContact CB-CG2 4.19Å; M71-V188 HydrophobicContact CG-CG2 4.28Å; M71-V188 PolarHBondContact O-N 2.95Å; M71-L193 HydrophobicContact CE-CD1 3.69Å
72D98.4Very high98.1Very high8 Ų837.8 Ų37.84%0.04321%0.21CC..EExtended strand (participates in β ladder)trans-161166.2-165.725.251.6000112.7Y85 A145 F146 L186D72-Y85 HydrophobicContact CB-CD2 4.44Å; D72-Y85 HydrophobicContact CB-CE2 4.4Å; D72-Y85 WeakPolarHBondContact O-CD2 3.41Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.27Å; D72-Y85 VanDerWaalsContact OD1-CE2 3.26Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.43Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.22Å; D72-A145 WeakPolarHBondContact OD2-CB 3.21Å; D72-F146 HydrophobicContact CB-CD2 3.53Å; D72-F146 HydrophobicContact CB-CE2 3.84Å; D72-F146 PolarHBondContact OD2-N 3.06Å; D72-L186 CarbonylContact C-O 3.3Å; D72-L186 WeakPolarHBondContact CA-O 3.36Å; D72-L186 WeakPolarHBondContact CB-O 3.47Å
73E98.5Very high98Very high10 Ų1037.3 Ų37.35%0.04720%0.202CC..EExtended strand (participates in β ladder)trans-151.8147.8167-179.159.2-82.300109.5Y85 Y86 L107 A185 L186E73-Y85 WeakPolarHBondContact OE1-CB 3.49Å; E73-Y85 PolarHBondContact OE1-N 3.03Å; E73-Y85 PolarHBondContact OE2-N 2.83Å; E73-Y85 VanDerWaalsContact OE2-N 3.17Å; E73-Y86 PolarHBondContact OE2-N 2.91Å; E73-L107 HydrophobicContact CB-CB 4.06Å; E73-L107 VanDerWaalsContact CB-O 3.27Å; E73-L107 WeakPolarHBondContact CB-O 3.37Å; E73-L107 WeakPolarHBondContact CG-O 3.48Å; E73-A185 CarbonylContact O-C 3.6Å; E73-A185 VanDerWaalsContact O-CA 3.29Å; E73-A185 WeakPolarHBondContact O-CA 3.24Å; E73-A185 WeakPolarHBondContact O-CB 3.42Å; E73-L186 PolarHBondContact N-O 3.07Å; E73-L186 PolarHBondContact O-N 2.94Å
74Y98.2Very high97.9Very high1 Ų137.3 Ų37.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-68.4139.2175.5-71.8-60.3000112.3L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.74Å; Y74-L77 HydrophobicContact CG-CD2 4.32Å; Y74-Y85 HydrophobicContact CD2-CD1 4.4Å; Y74-Y85 HydrophobicContact CD2-CE1 4.22Å; Y74-Y85 HydrophobicContact CE2-CD1 4.14Å; Y74-Y85 AromaticContact CE2-CE1 3.57Å; Y74-Y85 HydrophobicContact CE2-CE1 3.57Å; Y74-Y85 AromaticContact CE2-CZ 3.89Å; Y74-Y85 PolarHBondContact OH-OH 3.44Å; Y74-G109 WeakPolarHBondContact O-CA 3.27Å; Y74-F146 HydrophobicContact CE1-CE2 4.48Å; Y74-F146 HydrophobicContact CE1-CZ 4.08Å; Y74-L162 HydrophobicContact CD1-CD1 4.16Å; Y74-L162 HydrophobicContact CE1-CD1 3.76Å; Y74-N170 PolarHBondContact OH-ND2 3.44Å; Y74-F174 HydrophobicContact CD2-CZ 4.31Å; Y74-F174 HydrophobicContact CE2-CE2 4.09Å; Y74-F174 AromaticContact CE2-CZ 3.77Å; Y74-F174 HydrophobicContact CE2-CZ 3.77Å; Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.81Å; Y74-P182 HydrophobicContact CD2-CG 4.33Å; Y74-P182 HydrophobicContact CE1-CB 4.48Å; Y74-P182 HydrophobicContact CE1-CG 4.46Å; Y74-P182 HydrophobicContact CG-CB 4.05Å; Y74-P182 HydrophobicContact CG-CG 3.72Å
75V98.2Very high97.9Very high31 Ų3132.7 Ų32.719%0.18818%0.181CC..THydrogen-bonded Turntrans-82.5133.2174.1174.60000110.4L77 G109 I159 Y184 L186V75-L77 PolarHBondContact O-N 3.18Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.34Å; V75-I159 HydrophobicContact CG2-CD1 4.25Å; V75-I159 HydrophobicContact CG2-CG1 4.34Å; V75-Y184 PolarHBondContact N-O 3.38Å; V75-L186 HydrophobicContact CG2-CD2 3.55Å; V75-L186 HydrophobicContact CG2-CG 3.81Å
76G97.2Very high97.9Very high55 Ų5532.4 Ų32.457%0.56718%0.178SC*.THydrogen-bonded Turntrans77.20.8175.100000115.2G109 N110G76-G109 PolarHBondContact N-O 3.08Å; G76-G109 VanDerWaalsContact N-O 3.11Å; G76-N110 WeakPolarHBondContact CA-OD1 3.43Å; G76-N110 PolarHBondContact N-OD1 3.18Å
77L97.5Very high97.8Very high15 Ų1533.3 Ų33.38%0.07919%0.185CC..SBendtrans-86.8129.1173.7-168.669.1000109Y74 V75 K79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.74Å; Y74-L77 HydrophobicContact CG-CD2 4.32Å; V75-L77 PolarHBondContact O-N 3.18Å; L77-K79 PolarHBondContact O-N 2.8Å; L77-H81 HydrophobicContact CD1-CB 4.14Å; L77-H81 HydrophobicContact CD2-CB 4.22Å; L77-H81 HydrophobicContact CG-CB 3.84Å; L77-N110 PolarHBondContact O-ND2 2.99Å; L77-F174 HydrophobicContact CD1-CE1 4.26Å; L77-F174 HydrophobicContact CD2-CE1 4.19Å; L77-F174 HydrophobicContact CD2-CZ 4.24Å; L77-P182 HydrophobicContact CB-CG 4.12Å; L77-P182 HydrophobicContact CD1-CG 4.31Å; L77-P182 HydrophobicContact CD2-CG 4.44Å
78P97.6Very high97.8Very high80 Ų8034.2 Ų34.252%0.51919%0.189SC..  trans-53.5137.2178.2-26.834.8000111.6E80 H81P78-E80 PolarHBondContact O-N 3Å; P78-H81 HydrophobicContact CB-CB 4.31Å; P78-H81 WeakPolarHBondContact O-CB 3.29Å; P78-H81 PolarHBondContact O-N 3.3Å
79K96.5Very high97.8Very high102 Ų10234.3 Ų34.344%0.44319%0.189SC..THydrogen-bonded Turntrans-52.3-42.5-178.3-179.2-175.1170.7-167.60112.7L77 H81 S84 Y86 S87L77-K79 PolarHBondContact O-N 2.8Å; K79-H81 VanDerWaalsContact C-N 3.29Å; K79-H81 PolarHBondContact O-N 3.04Å; K79-S84 WeakPolarHBondContact O-CB 3.48Å; K79-S84 PolarHBondContact O-OG 3.05Å; K79-Y86 HydrophobicContact CD-CD1 4.45Å; K79-Y86 HydrophobicContact CD-CD2 4.34Å; K79-Y86 HydrophobicContact CD-CE2 4.44Å; K79-Y86 HydrophobicContact CD-CG 4.37Å; K79-Y86 VanDerWaalsContact CE-CE1 3.47Å; K79-Y86 HydrophobicContact CG-CD1 3.83Å; K79-Y86 HydrophobicContact CG-CD2 4.18Å; K79-Y86 HydrophobicContact CG-CE1 4.31Å; K79-Y86 HydrophobicContact CG-CG 3.76Å; K79-Y86 PolarHBondContact NZ-OH 2.99Å; K79-S87 PolarHBondContact O-OG 2.98Å
80E94.8Very high97.8Very high128 Ų12836 Ų3660%0.59820%0.197SC*.THydrogen-bonded Turntrans-87.77.8-179.1-51.3-54.4148.100113.2P78P78-E80 PolarHBondContact O-N 3Å
81H97.5Very high97.7Very high57 Ų5741.7 Ų41.726%0.26422%0.218SC..SBendtrans-60.3137.6172.4-172.4-87.8000109.3L77 P78 K79 E83 S84 S87 F174L77-H81 HydrophobicContact CD1-CB 4.14Å; L77-H81 HydrophobicContact CD2-CB 4.22Å; L77-H81 HydrophobicContact CG-CB 3.84Å; P78-H81 HydrophobicContact CB-CB 4.31Å; P78-H81 WeakPolarHBondContact O-CB 3.29Å; P78-H81 PolarHBondContact O-N 3.3Å; K79-H81 VanDerWaalsContact C-N 3.29Å; K79-H81 PolarHBondContact O-N 3.04Å; H81-E83 PolarHBondContact ND1-N 3.06Å; H81-E83 VanDerWaalsContact ND1-N 3.14Å; H81-E83 PolarHBondContact O-N 2.96Å; H81-S84 WeakPolarHBondContact O-CB 3.36Å; H81-S84 PolarHBondContact O-N 2.87Å; H81-S84 PolarHBondContact O-OG 3.45Å; H81-S87 WeakPolarHBondContact O-CB 3.17Å; H81-S87 PolarHBondContact O-OG 3Å; H81-F174 AromaticContact CE1-CE1 3.92Å
82P96.7Very high97.7Very high77 Ų7743.3 Ų43.350%0.523%0.227SC..THydrogen-bonded Turntrans-56-29-176.1-27.935.1000114.7R91P82-R91 PolarHBondContact O-NH2 2.57Å
83E96.7Very high97.7Very high41 Ų4142.9 Ų42.919%0.19223%0.225CC..THydrogen-bonded Turntrans-103.310.1-179.5-54.9-54.6136.500114.4H81 R91 F173 F174H81-E83 PolarHBondContact ND1-N 3.06Å; H81-E83 VanDerWaalsContact ND1-N 3.14Å; H81-E83 PolarHBondContact O-N 2.96Å; E83-R91 IonicContact OE1-NH2 3.56Å; E83-F173 HydrophobicContact CG-CB 4.35Å; E83-F173 VanDerWaalsContact CG-O 3.31Å; E83-F173 WeakPolarHBondContact CG-O 3.18Å; E83-F174 HydrophobicContact CB-CD1 4.49Å; E83-F174 HydrophobicContact CB-CE1 3.87Å; E83-F174 HydrophobicContact CB-CE2 4.28Å; E83-F174 HydrophobicContact CB-CZ 3.74Å
84S98Very high97.8Very high0 Ų042.8 Ų42.80%022%0.224CC..SBendtrans-65.6153.216473.20000109.8K79 H81 Y86 S87 F88K79-S84 WeakPolarHBondContact O-CB 3.48Å; K79-S84 PolarHBondContact O-OG 3.05Å; H81-S84 WeakPolarHBondContact O-CB 3.36Å; H81-S84 PolarHBondContact O-N 2.87Å; H81-S84 PolarHBondContact O-OG 3.45Å; S84-Y86 VanDerWaalsContact C-N 3.26Å; S84-Y86 PolarHBondContact O-N 3.35Å; S84-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact OG-CB 3.41Å; S84-S87 PolarHBondContact OG-N 2.86Å; S84-S87 PolarHBondContact OG-OG 2.86Å; S84-F88 WeakPolarHBondContact O-CB 3.33Å; S84-F88 PolarHBondContact O-N 2.72Å
85Y98.2Very high97.8Very high21 Ų2147.9 Ų47.98%0.08225%0.251CS..Hα-helixtrans-72.8-25.8177.9-71.7-1.8000111.7T41 D72 E73 Y74 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.06Å; T41-Y85 HydrophobicContact CG2-CD2 3.83Å; T41-Y85 HydrophobicContact CG2-CE2 4.46Å; T41-Y85 HydrophobicContact CG2-CG 3.61Å; T41-Y85 VanDerWaalsContact OG1-CD2 3.31Å; T41-Y85 WeakPolarHBondContact OG1-CD2 3.35Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.43Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.3Å; D72-Y85 HydrophobicContact CB-CD2 4.44Å; D72-Y85 HydrophobicContact CB-CE2 4.4Å; D72-Y85 WeakPolarHBondContact O-CD2 3.41Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.27Å; D72-Y85 VanDerWaalsContact OD1-CE2 3.26Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.43Å; E73-Y85 WeakPolarHBondContact OE1-CB 3.49Å; E73-Y85 PolarHBondContact OE1-N 3.03Å; E73-Y85 PolarHBondContact OE2-N 2.83Å; E73-Y85 VanDerWaalsContact OE2-N 3.17Å; Y74-Y85 HydrophobicContact CD2-CD1 4.4Å; Y74-Y85 HydrophobicContact CD2-CE1 4.22Å; Y74-Y85 HydrophobicContact CE2-CD1 4.14Å; Y74-Y85 AromaticContact CE2-CE1 3.57Å; Y74-Y85 HydrophobicContact CE2-CE1 3.57Å; Y74-Y85 AromaticContact CE2-CZ 3.89Å; Y74-Y85 PolarHBondContact OH-OH 3.44Å; Y85-M89 WeakPolarHBondContact O-CB 3.36Å; Y85-M89 VanDerWaalsContact O-CG 3.28Å; Y85-M89 WeakPolarHBondContact O-CG 3.29Å; Y85-M89 PolarHBondContact O-N 3.36Å; Y85-F146 AromaticContact CE2-CE2 3.76Å; Y85-F146 HydrophobicContact CE2-CE2 3.76Å; Y85-F146 HydrophobicContact CE2-CZ 4.02Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.34Å
86Y98.4Very high97.8Very high51 Ų5150.2 Ų50.220%0.226%0.26CS..Hα-helixtrans-53.6-59.3162.7-178.2-90.1000112.4E73 K79 S84 F88 M89 H90 L106E73-Y86 PolarHBondContact OE2-N 2.91Å; K79-Y86 HydrophobicContact CD-CD1 4.45Å; K79-Y86 HydrophobicContact CD-CD2 4.34Å; K79-Y86 HydrophobicContact CD-CE2 4.44Å; K79-Y86 HydrophobicContact CD-CG 4.37Å; K79-Y86 VanDerWaalsContact CE-CE1 3.47Å; K79-Y86 HydrophobicContact CG-CD1 3.83Å; K79-Y86 HydrophobicContact CG-CD2 4.18Å; K79-Y86 HydrophobicContact CG-CE1 4.31Å; K79-Y86 HydrophobicContact CG-CG 3.76Å; K79-Y86 PolarHBondContact NZ-OH 2.99Å; S84-Y86 VanDerWaalsContact C-N 3.26Å; S84-Y86 PolarHBondContact O-N 3.35Å; Y86-F88 VanDerWaalsContact C-N 3.3Å; Y86-F88 PolarHBondContact O-N 3.3Å; Y86-M89 PolarHBondContact O-N 3.21Å; Y86-H90 AromaticContact CD2-CD2 3.97Å; Y86-H90 AromaticContact CE1-CD2 3.66Å; Y86-H90 AromaticContact CE2-CD2 3.58Å; Y86-H90 AromaticContact CE2-NE2 3.34Å; Y86-H90 VanDerWaalsContact CE2-NE2 3.34Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H90 AromaticContact CZ-CD2 3.42Å; Y86-H90 VanDerWaalsContact CZ-CD2 3.42Å; Y86-H90 AromaticContact CZ-NE2 3.33Å; Y86-H90 VanDerWaalsContact CZ-NE2 3.33Å; Y86-H90 PolarHBondContact O-CD2 3.35Å; Y86-H90 PolarHBondContact O-N 3.42Å; Y86-H90 VanDerWaalsContact O-N 3.11Å; Y86-L106 HydrophobicContact CD2-CD1 3.56Å; Y86-L106 HydrophobicContact CE2-CD1 4.27Å; Y86-L106 HydrophobicContact CG-CD1 4.36Å
87S98.2Very high97.9Very high19 Ų1948.4 Ų48.413%0.13324%0.238CC..Hα-helixtrans-62.3-38.9-178.9-64.40000111.8K79 H81 S84 M89 R91K79-S87 PolarHBondContact O-OG 2.98Å; H81-S87 WeakPolarHBondContact O-CB 3.17Å; H81-S87 PolarHBondContact O-OG 3Å; S84-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact OG-CB 3.41Å; S84-S87 PolarHBondContact OG-N 2.86Å; S84-S87 PolarHBondContact OG-OG 2.86Å; S87-M89 PolarHBondContact O-N 3.22Å; S87-R91 WeakPolarHBondContact O-CB 3.41Å; S87-R91 PolarHBondContact O-N 2.7Å
88F98.2Very high97.9Very high20 Ų2050.4 Ų50.49%0.08825%0.249CC..Hα-helixtrans-57.1-49.5175176.9-82.6000111.6T41 G42 M46 Y49 S84 Y86 N92T41-F88 HydrophobicContact CG2-CD1 3.67Å; T41-F88 HydrophobicContact CG2-CE1 4.1Å; T41-F88 HydrophobicContact CG2-CG 4.33Å; G42-F88 VanDerWaalsContact O-CZ 3.25Å; G42-F88 WeakPolarHBondContact O-CZ 3.41Å; M46-F88 HydrophobicContact SD-CE2 3.86Å; M46-F88 HydrophobicContact SD-CZ 3.52Å; M46-F88 VanDerWaalsContact SD-CZ 3.52Å; Y49-F88 HydrophobicContact CE2-CE1 4.03Å; S84-F88 WeakPolarHBondContact O-CB 3.33Å; S84-F88 PolarHBondContact O-N 2.72Å; Y86-F88 VanDerWaalsContact C-N 3.3Å; Y86-F88 PolarHBondContact O-N 3.3Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.21Å; F88-N92 VanDerWaalsContact O-CB 3.3Å; F88-N92 WeakPolarHBondContact O-CB 3.48Å; F88-N92 PolarHBondContact O-N 3.35Å; F88-N92 PolarHBondContact O-ND2 3.5Å
89M98.6Very high98Very high1 Ų147.5 Ų47.51%0.00523%0.229CC..Hα-helixtrans-70.5-39.6-174.8-71.8-58.3-63.200112.6L39 T41 Y49 N70 Y85 Y86 S87 F93 F94 L106L39-M89 HydrophobicContact CB-CE 3.99Å; L39-M89 HydrophobicContact CD1-CE 3.61Å; L39-M89 HydrophobicContact CG-CE 4.41Å; T41-M89 HydrophobicContact CG2-CG 4.14Å; T41-M89 HydrophobicContact CG2-SD 4.01Å; Y49-M89 HydrophobicContact CE1-CE 4.26Å; Y49-M89 HydrophobicContact CE2-SD 4.36Å; N70-M89 VanDerWaalsContact ND2-CG 3.26Å; N70-M89 WeakPolarHBondContact ND2-CG 3.45Å; N70-M89 PolarHBondContact ND2-SD 2.91Å; Y85-M89 WeakPolarHBondContact O-CB 3.36Å; Y85-M89 VanDerWaalsContact O-CG 3.28Å; Y85-M89 WeakPolarHBondContact O-CG 3.29Å; Y85-M89 PolarHBondContact O-N 3.36Å; Y86-M89 PolarHBondContact O-N 3.21Å; S87-M89 PolarHBondContact O-N 3.22Å; M89-F93 HydrophobicContact CE-CD1 4.15Å; M89-F93 WeakPolarHBondContact O-CA 3.43Å; M89-F93 PolarHBondContact O-N 2.85Å; M89-F94 HydrophobicContact CB-CD2 3.65Å; M89-F94 HydrophobicContact CB-CE2 3.37Å; M89-F94 HydrophobicContact CB-CZ 4.05Å; M89-F94 HydrophobicContact CE-CE1 3.8Å; M89-F94 HydrophobicContact CE-CE2 4.02Å; M89-F94 HydrophobicContact CE-CZ 3.47Å; M89-F94 VanDerWaalsContact CE-CZ 3.47Å; M89-F94 HydrophobicContact CG-CE2 4.1Å; M89-F94 HydrophobicContact CG-CZ 4.42Å; M89-F94 PolarHBondContact O-N 3.03Å; M89-L106 HydrophobicContact CG-CD2 4.34Å
90H98.5Very high98.1Very high36 Ų3644 Ų4417%0.16722%0.216CC..Hα-helixtrans-61.7-54.7174.1-85.8-80.5000111.7Y86 N92 D95Y86-H90 AromaticContact CD2-CD2 3.97Å; Y86-H90 AromaticContact CE1-CD2 3.66Å; Y86-H90 AromaticContact CE2-CD2 3.58Å; Y86-H90 AromaticContact CE2-NE2 3.34Å; Y86-H90 VanDerWaalsContact CE2-NE2 3.34Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H90 AromaticContact CZ-CD2 3.42Å; Y86-H90 VanDerWaalsContact CZ-CD2 3.42Å; Y86-H90 AromaticContact CZ-NE2 3.33Å; Y86-H90 VanDerWaalsContact CZ-NE2 3.33Å; Y86-H90 PolarHBondContact O-CD2 3.35Å; Y86-H90 PolarHBondContact O-N 3.42Å; Y86-H90 VanDerWaalsContact O-N 3.11Å; H90-N92 VanDerWaalsContact C-N 3.31Å; H90-N92 PolarHBondContact O-N 2.98Å; H90-D95 IonicContact CE1-OD1 3.56Å; H90-D95 IonicContact CG-OD1 2.81Å; H90-D95 IonicContact ND1-OD1 3.62Å; H90-D95 PolarHBondContact ND1-OD1 3.41Å; H90-D95 WeakPolarHBondContact O-CB 3.36Å; H90-D95 VanDerWaalsContact O-CG 3.32Å; H90-D95 PolarHBondContact O-N 3.35Å
91R98Very high98.3Very high120 Ų12041.6 Ų41.645%0.45322%0.219SC..Hα-helixtrans-57-41.1-179177171.758.7175.8-5.4113.2P82 E83 S87 H96P82-R91 PolarHBondContact O-NH2 2.57Å; E83-R91 IonicContact OE1-NH2 3.56Å; S87-R91 WeakPolarHBondContact O-CB 3.41Å; S87-R91 PolarHBondContact O-N 2.7Å; R91-H96 PolarHBondContact O-CD2 2.85Å; R91-H96 PolarHBondContact O-NE2 2.8Å
92N98.3Very high98.3Very high36 Ų3645.5 Ų45.519%0.19324%0.237CC..Hα-helixtrans-100-15.6-169.9-63.9-62.9000114.2M46 F88 H90M46-N92 HydrophobicContact CE-CB 4.06Å; M46-N92 WeakPolarHBondContact CE-OD1 3.26Å; M46-N92 HydrophobicContact SD-CB 4.2Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.21Å; F88-N92 VanDerWaalsContact O-CB 3.3Å; F88-N92 WeakPolarHBondContact O-CB 3.48Å; F88-N92 PolarHBondContact O-N 3.35Å; F88-N92 PolarHBondContact O-ND2 3.5Å; H90-N92 VanDerWaalsContact C-N 3.31Å; H90-N92 PolarHBondContact O-N 2.98Å
93F98.8Very high98.4Very high0 Ų043 Ų430%022%0.219CC..THydrogen-bonded Turntrans-145.9-62.8-174.6-171.9-132.3000114.6L39 Y49 L52 V53 F63 M89 D95 H96 V97L39-F93 HydrophobicContact CD1-CD1 4Å; L39-F93 HydrophobicContact CD1-CE1 3.81Å; Y49-F93 HydrophobicContact CD1-CB 3.86Å; Y49-F93 AromaticContact CD1-CD1 3.96Å; Y49-F93 HydrophobicContact CD1-CD1 3.96Å; Y49-F93 AromaticContact CD1-CD2 3.77Å; Y49-F93 HydrophobicContact CD1-CD2 3.77Å; Y49-F93 HydrophobicContact CD1-CE1 4.47Å; Y49-F93 HydrophobicContact CD1-CE2 4.31Å; Y49-F93 AromaticContact CD1-CG 3.59Å; Y49-F93 HydrophobicContact CD1-CG 3.59Å; Y49-F93 HydrophobicContact CE1-CB 4.29Å; Y49-F93 AromaticContact CE1-CD1 3.89Å; Y49-F93 HydrophobicContact CE1-CD1 3.89Å; Y49-F93 HydrophobicContact CE1-CE1 4.36Å; Y49-F93 AromaticContact CE1-CG 3.99Å; Y49-F93 HydrophobicContact CE1-CG 3.99Å; Y49-F93 HydrophobicContact CG-CB 4.16Å; Y49-F93 HydrophobicContact CG-CD2 4.47Å; Y49-F93 HydrophobicContact CG-CG 4.33Å; L52-F93 HydrophobicContact CB-CE2 3.88Å; L52-F93 HydrophobicContact CD1-CE2 4.11Å; L52-F93 HydrophobicContact CD1-CZ 4.12Å; V53-F93 HydrophobicContact CG2-CD2 4.05Å; F63-F93 HydrophobicContact CD1-CZ 4.11Å; F63-F93 HydrophobicContact CE1-CE1 4.44Å; F63-F93 HydrophobicContact CE1-CE2 4.48Å; F63-F93 AromaticContact CE1-CZ 3.6Å; F63-F93 HydrophobicContact CE1-CZ 3.6Å; F63-F93 HydrophobicContact CE2-CE2 4.37Å; F63-F93 HydrophobicContact CE2-CZ 4.22Å; F63-F93 HydrophobicContact CZ-CE2 4.09Å; F63-F93 AromaticContact CZ-CZ 3.65Å; F63-F93 HydrophobicContact CZ-CZ 3.65Å; M89-F93 HydrophobicContact CE-CD1 4.15Å; M89-F93 WeakPolarHBondContact O-CA 3.43Å; M89-F93 PolarHBondContact O-N 2.85Å; F93-D95 VanDerWaalsContact C-N 3.33Å; F93-D95 PolarHBondContact O-N 2.86Å; F93-H96 PolarHBondContact O-N 3.38Å; F93-V97 HydrophobicContact CD2-CG1 4.22Å; F93-V97 HydrophobicContact CE2-CG1 3.8Å; F93-V97 HydrophobicContact CE2-CG2 4.3Å; F93-V97 HydrophobicContact CZ-CG2 4.37Å
94F98.7Very high98.5Very high7 Ų742.4 Ų42.43%0.03122%0.217CC..G310 helixtrans-63.1-35.2-166.8-60-36.8000113.6L39 T68 M89 H96 I99 I104 L106L39-F94 HydrophobicContact CD1-CE1 3.97Å; L39-F94 HydrophobicContact CD1-CZ 4.29Å; T68-F94 HydrophobicContact CG2-CE1 4.1Å; M89-F94 HydrophobicContact CB-CD2 3.65Å; M89-F94 HydrophobicContact CB-CE2 3.37Å; M89-F94 HydrophobicContact CB-CZ 4.05Å; M89-F94 HydrophobicContact CE-CE1 3.8Å; M89-F94 HydrophobicContact CE-CE2 4.02Å; M89-F94 HydrophobicContact CE-CZ 3.47Å; M89-F94 VanDerWaalsContact CE-CZ 3.47Å; M89-F94 HydrophobicContact CG-CE2 4.1Å; M89-F94 HydrophobicContact CG-CZ 4.42Å; M89-F94 PolarHBondContact O-N 3.03Å; F94-H96 PolarHBondContact O-N 2.98Å; F94-I99 HydrophobicContact CB-CG2 4.11Å; F94-I99 HydrophobicContact CD1-CD1 4.29Å; F94-I99 HydrophobicContact CD1-CG2 4.06Å; F94-I99 HydrophobicContact CE1-CD1 4.27Å; F94-I99 HydrophobicContact CG-CG2 4.42Å; F94-I104 HydrophobicContact CB-CD1 3.87Å; F94-I104 HydrophobicContact CD1-CD1 4.18Å; F94-I104 HydrophobicContact CD1-CG1 4.3Å; F94-I104 HydrophobicContact CD2-CD1 3.69Å; F94-I104 HydrophobicContact CD2-CG1 4.16Å; F94-I104 HydrophobicContact CD2-CG2 3.92Å; F94-I104 HydrophobicContact CE1-CG1 4.36Å; F94-I104 HydrophobicContact CE2-CB 4.44Å; F94-I104 HydrophobicContact CE2-CD1 4.21Å; F94-I104 HydrophobicContact CE2-CG1 4.19Å; F94-I104 HydrophobicContact CE2-CG2 3.41Å; F94-I104 VanDerWaalsContact CE2-CG2 3.41Å; F94-I104 HydrophobicContact CG-CD1 3.66Å; F94-I104 HydrophobicContact CG-CG1 4.22Å; F94-I104 HydrophobicContact CZ-CG1 4.31Å; F94-I104 HydrophobicContact CZ-CG2 3.9Å; F94-L106 HydrophobicContact CE2-CD1 4.29Å
95D98.5Very high98.5Very high108 Ų10842.7 Ų42.758%0.57822%0.219SC*.G310 helixtrans-75.4-3.4179.7-61.2-14.2000113.3H90 F93H90-D95 IonicContact CE1-OD1 3.56Å; H90-D95 IonicContact CG-OD1 2.81Å; H90-D95 IonicContact ND1-OD1 3.62Å; H90-D95 PolarHBondContact ND1-OD1 3.41Å; H90-D95 WeakPolarHBondContact O-CB 3.36Å; H90-D95 VanDerWaalsContact O-CG 3.32Å; H90-D95 PolarHBondContact O-N 3.35Å; F93-D95 VanDerWaalsContact C-N 3.33Å; F93-D95 PolarHBondContact O-N 2.86Å
96H98.8Very high98.6Very high80 Ų8043.1 Ų43.137%0.3722%0.223SC..G310 helixtrans-114.82.8-174.7-56.5-81.3000113.7V53 R91 F93 F94V53-H96 HydrophobicContact CB-CB 4.38Å; V53-H96 HydrophobicContact CG1-CB 3.73Å; V53-H96 HydrophobicContact CG2-CB 3.65Å; R91-H96 PolarHBondContact O-CD2 2.85Å; R91-H96 PolarHBondContact O-NE2 2.8Å; F93-H96 PolarHBondContact O-N 3.38Å; F94-H96 PolarHBondContact O-N 2.98Å
97V98.9Very high98.6Very high17 Ų1740.9 Ų40.910%0.10321%0.214CC..SBendtrans-134165.1-180-58.90000111.8V53 H56 F63 F93 I99V53-V97 HydrophobicContact CG2-CG1 4.07Å; H56-V97 HydrophobicContact CB-CG1 4.1Å; F63-V97 HydrophobicContact CB-CB 4.49Å; F63-V97 HydrophobicContact CB-CG2 4.25Å; F63-V97 HydrophobicContact CD2-CB 3.7Å; F63-V97 HydrophobicContact CD2-CG1 3.9Å; F63-V97 HydrophobicContact CD2-CG2 4.05Å; F63-V97 HydrophobicContact CE2-CB 4.28Å; F63-V97 HydrophobicContact CE2-CG1 3.95Å; F63-V97 HydrophobicContact CG-CB 4.28Å; F63-V97 HydrophobicContact CG-CG2 4.16Å; F93-V97 HydrophobicContact CD2-CG1 4.22Å; F93-V97 HydrophobicContact CE2-CG1 3.8Å; F93-V97 HydrophobicContact CE2-CG2 4.3Å; F93-V97 HydrophobicContact CZ-CG2 4.37Å; V97-I99 HydrophobicContact CG2-CB 4.06Å; V97-I99 HydrophobicContact CG2-CG2 3.79Å; V97-I99 PolarHBondContact O-N 2.86Å
98D98.8Very high98.6Very high58 Ų5843.5 Ų43.531%0.3123%0.226SC..  trans-81.535-178.367.9-28.5000114.3H56 S62 F63 K64H56-D98 IonicContact CE1-OD1 3.67Å; H56-D98 PolarHBondContact CE1-OD1 3.32Å; H56-D98 IonicContact CE1-OD2 3.39Å; H56-D98 IonicContact ND1-OD1 3.28Å; H56-D98 PolarHBondContact ND1-OD1 3.44Å; H56-D98 PolarHBondContact NE2-N 2.91Å; H56-D98 IonicContact NE2-OD1 2.83Å; S62-D98 WeakPolarHBondContact CB-OD2 3.36Å; S62-D98 PolarHBondContact OG-OD2 3.15Å; F63-D98 WeakPolarHBondContact CA-OD1 3.49Å; F63-D98 PolarHBondContact N-OD1 3.22Å; K64-D98 WeakPolarHBondContact CA-O 3.4Å; K64-D98 PolarHBondContact N-O 3.02Å
99I98.9Very high98.6Very high18 Ų1842.7 Ų42.79%0.09222%0.224CC..  trans-78.4129.8178.7-167.7167.7000111.1F63 T68 F94 V97 N103 I104F63-I99 HydrophobicContact CB-CB 3.93Å; F63-I99 HydrophobicContact CB-CG1 4.5Å; T68-I99 HydrophobicContact CG2-CD1 3.53Å; F94-I99 HydrophobicContact CB-CG2 4.11Å; F94-I99 HydrophobicContact CD1-CD1 4.29Å; F94-I99 HydrophobicContact CD1-CG2 4.06Å; F94-I99 HydrophobicContact CE1-CD1 4.27Å; F94-I99 HydrophobicContact CG-CG2 4.42Å; V97-I99 HydrophobicContact CG2-CB 4.06Å; V97-I99 HydrophobicContact CG2-CG2 3.79Å; V97-I99 PolarHBondContact O-N 2.86Å; I99-N103 HydrophobicContact CG1-CB 4.42Å; I99-I104 HydrophobicContact CD1-CG1 3.94Å; I99-I104 HydrophobicContact CG1-CG1 4.25Å; I99-I104 HydrophobicContact CG2-CD1 4.06Å; I99-I104 HydrophobicContact CG2-CG1 4.39Å
100P98.6Very high98.6Very high28 Ų2846.1 Ų46.118%0.18224%0.242CC..  trans-69.3142.2173.9-18.332.5000111.5K64 E102 N103K64-P100 WeakPolarHBondContact O-CD 3.45Å; K64-P100 VanDerWaalsContact O-CG 3.31Å; K64-P100 WeakPolarHBondContact O-CG 3.48Å; P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 HydrophobicContact CB-CG 4.16Å; P100-E102 WeakPolarHBondContact CB-OE1 3.39Å; P100-E102 WeakPolarHBondContact CB-OE2 3.5Å; P100-E102 PolarHBondContact O-N 2.91Å; P100-N103 HydrophobicContact CB-CB 4.41Å; P100-N103 WeakPolarHBondContact O-CB 3.43Å; P100-N103 PolarHBondContact O-N 3.25Å
101A98.4Very high98.5Very high79 Ų7945 Ų4565%0.65324%0.239SC*.G310 helixtrans-62.3-35.6-176.700000112.5N103 I104A101-N103 PolarHBondContact O-N 2.95Å; A101-I104 PolarHBondContact O-N 3.28Å
102E98.3Very high98.5Very high138 Ų13846.1 Ų46.165%0.64526%0.262SS*.G310 helixtrans-64.9-19.6176.964.1-88.9-152.500113.9P100P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 HydrophobicContact CB-CG 4.16Å; P100-E102 WeakPolarHBondContact CB-OE1 3.39Å; P100-E102 WeakPolarHBondContact CB-OE2 3.5Å; P100-E102 PolarHBondContact O-N 2.91Å
103N98.8Very high98.5Very high25 Ų2548.2 Ų48.213%0.13427%0.273CS..G310 helixtrans-90.1-5.3178.9-77.3-4.2000112.8V66 V67 T68 I99 P100 A101 N105V66-N103 VanDerWaalsContact O-CB 3.31Å; V66-N103 WeakPolarHBondContact O-CB 3.45Å; V66-N103 PolarHBondContact O-ND2 2.84Å; V67-N103 CarbonylContact C-O 3.54Å; V67-N103 WeakPolarHBondContact CA-O 3.14Å; V67-N103 HydrophobicContact CG2-CB 4.06Å; T68-N103 PolarHBondContact N-O 3.37Å; I99-N103 HydrophobicContact CG1-CB 4.42Å; P100-N103 HydrophobicContact CB-CB 4.41Å; P100-N103 WeakPolarHBondContact O-CB 3.43Å; P100-N103 PolarHBondContact O-N 3.25Å; A101-N103 PolarHBondContact O-N 2.95Å; N103-N105 PolarHBondContact O-ND2 2.93Å
104I98.8Very high98.4Very high28 Ų2849.8 Ų49.814%0.14428%0.281CS..EExtended strand (participates in β ladder)trans-89.1125.5177.5-63.6166.8000109.6F94 I99 A101 L106F94-I104 HydrophobicContact CB-CD1 3.87Å; F94-I104 HydrophobicContact CD1-CD1 4.18Å; F94-I104 HydrophobicContact CD1-CG1 4.3Å; F94-I104 HydrophobicContact CD2-CD1 3.69Å; F94-I104 HydrophobicContact CD2-CG1 4.16Å; F94-I104 HydrophobicContact CD2-CG2 3.92Å; F94-I104 HydrophobicContact CE1-CG1 4.36Å; F94-I104 HydrophobicContact CE2-CB 4.44Å; F94-I104 HydrophobicContact CE2-CD1 4.21Å; F94-I104 HydrophobicContact CE2-CG1 4.19Å; F94-I104 HydrophobicContact CE2-CG2 3.41Å; F94-I104 VanDerWaalsContact CE2-CG2 3.41Å; F94-I104 HydrophobicContact CG-CD1 3.66Å; F94-I104 HydrophobicContact CG-CG1 4.22Å; F94-I104 HydrophobicContact CZ-CG1 4.31Å; F94-I104 HydrophobicContact CZ-CG2 3.9Å; I99-I104 HydrophobicContact CD1-CG1 3.94Å; I99-I104 HydrophobicContact CG1-CG1 4.25Å; I99-I104 HydrophobicContact CG2-CD1 4.06Å; I99-I104 HydrophobicContact CG2-CG1 4.39Å; A101-I104 PolarHBondContact O-N 3.28Å; I104-L106 HydrophobicContact CG2-CD1 3.84Å; I104-L106 HydrophobicContact CG2-CG 4.28Å
105N98.9Very high98.4Very high6 Ų653.8 Ų53.83%0.03230%0.303CS..EExtended strand (participates in β ladder)trans-122.3120.4176.4-52.9-86000110.2V67 T68 F69 N70 N103 Y121 K124V67-N105 WeakPolarHBondContact CG1-ND2 3.43Å; T68-N105 WeakPolarHBondContact O-CA 3.44Å; T68-N105 WeakPolarHBondContact O-CB 3.43Å; T68-N105 PolarHBondContact O-N 2.88Å; T68-N105 PolarHBondContact O-ND2 3.36Å; F69-N105 HydrophobicContact CD1-CB 3.44Å; F69-N105 VanDerWaalsContact CD1-CB 3.44Å; F69-N105 HydrophobicContact CE1-CB 3.57Å; F69-N105 HydrophobicContact CG-CB 4Å; F69-N105 HydrophobicContact CZ-CB 4.23Å; N70-N105 PolarHBondContact N-O 3.34Å; N103-N105 PolarHBondContact O-ND2 2.93Å; N105-Y121 HydrophobicContact CB-CE2 4.08Å; N105-Y121 PolarHBondContact O-OH 3.38Å; N105-K124 WeakPolarHBondContact OD1-CD 3.39Å; N105-K124 WeakPolarHBondContact OD1-CE 3.18Å; N105-K124 PolarHBondContact OD1-NZ 3Å
106L98.6Very high98.4Very high31 Ų3149.5 Ų49.516%0.16228%0.282CS..  trans-131.5142.8177.4-74.9152.9000107.9N70 Y86 M89 F94 I104 Y121N70-L106 HydrophobicContact CB-CD2 3.42Å; N70-L106 VanDerWaalsContact CB-CD2 3.42Å; N70-L106 HydrophobicContact CB-CG 4.29Å; N70-L106 VanDerWaalsContact CG-CD2 3.48Å; Y86-L106 HydrophobicContact CD2-CD1 3.56Å; Y86-L106 HydrophobicContact CE2-CD1 4.27Å; Y86-L106 HydrophobicContact CG-CD1 4.36Å; M89-L106 HydrophobicContact CG-CD2 4.34Å; F94-L106 HydrophobicContact CE2-CD1 4.29Å; I104-L106 HydrophobicContact CG2-CD1 3.84Å; I104-L106 HydrophobicContact CG2-CG 4.28Å; L106-Y121 VanDerWaalsContact C-CE2 3.5Å
107L98.7Very high98.4Very high4 Ų447 Ų472%0.02127%0.271CS..  trans-66.1136174.2-80.6158.7000110E73 G109 E117 Y121 T157 L186E73-L107 HydrophobicContact CB-CB 4.06Å; E73-L107 VanDerWaalsContact CB-O 3.27Å; E73-L107 WeakPolarHBondContact CB-O 3.37Å; E73-L107 WeakPolarHBondContact CG-O 3.48Å; L107-G109 PolarHBondContact O-N 3.16Å; L107-E117 HydrophobicContact CD2-CG 4.23Å; L107-Y121 HydrophobicContact CD1-CD1 4.48Å; L107-Y121 HydrophobicContact CD1-CE1 4.35Å; L107-Y121 HydrophobicContact CD2-CD1 3.92Å; L107-Y121 HydrophobicContact CD2-CD2 3.8Å; L107-Y121 HydrophobicContact CD2-CE1 4.41Å; L107-Y121 HydrophobicContact CD2-CE2 4.35Å; L107-Y121 HydrophobicContact CD2-CG 3.55Å; L107-Y121 HydrophobicContact CG-CD1 4.02Å; L107-Y121 HydrophobicContact CG-CD2 3.95Å; L107-Y121 HydrophobicContact CG-CE1 4Å; L107-Y121 HydrophobicContact CG-CE2 3.98Å; L107-Y121 HydrophobicContact CG-CG 3.97Å; L107-T157 HydrophobicContact CD1-CG2 4.18Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; L107-L186 HydrophobicContact CB-CB 4.08Å; L107-L186 HydrophobicContact CB-CD1 4.37Å; L107-L186 HydrophobicContact CD1-CB 3.86Å; L107-L186 HydrophobicContact CD2-CB 4.22Å; L107-L186 HydrophobicContact CD2-CD1 4.34Å; L107-L186 HydrophobicContact CG-CB 4.28Å
108N98.5Very high98.4Very high73 Ų7346.4 Ų46.439%0.3927%0.267SS..  trans-86.991.7173.4-177.88.7000111.3N110 A111 E117 L186N108-N110 PolarHBondContact O-N 3.12Å; N108-N110 PolarHBondContact OD1-N 3.13Å; N108-A111 HydrophobicContact CB-CB 4.22Å; N108-A111 WeakPolarHBondContact O-CB 3.24Å; N108-A111 PolarHBondContact O-N 2.87Å; N108-A111 PolarHBondContact OD1-N 2.85Å; N108-E117 HydrophobicContact CB-CG 4.24Å; N108-E117 PolarHBondContact N-OE1 2.83Å; N108-L186 WeakPolarHBondContact O-CD1 3.41Å
109G98.2Very high98.4Very high3 Ų349.9 Ų49.93%0.03128%0.276CS..THydrogen-bonded Turntrans-62.8-7176.100000115.7Y74 V75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.27Å; V75-G109 VanDerWaalsContact CA-O 3.28Å; V75-G109 WeakPolarHBondContact CA-O 3.34Å; G76-G109 PolarHBondContact N-O 3.08Å; G76-G109 VanDerWaalsContact N-O 3.11Å; L107-G109 PolarHBondContact O-N 3.16Å
110N98.1Very high98.4Very high74 Ų7454.5 Ų54.540%0.39630%0.297SS..THydrogen-bonded Turntrans-114.217.5175.5-58.9-66.9000112.5G76 L77 N108G76-N110 WeakPolarHBondContact CA-OD1 3.43Å; G76-N110 PolarHBondContact N-OD1 3.18Å; L77-N110 PolarHBondContact O-ND2 2.99Å; N108-N110 PolarHBondContact O-N 3.12Å; N108-N110 PolarHBondContact OD1-N 3.13Å
111A97.8Very high98.4Very high12 Ų1253.6 Ų53.610%0.09929%0.29CS..  trans-61.1141.2175.900000111N108 D113 I114 E117N108-A111 HydrophobicContact CB-CB 4.22Å; N108-A111 WeakPolarHBondContact O-CB 3.24Å; N108-A111 PolarHBondContact O-N 2.87Å; N108-A111 PolarHBondContact OD1-N 2.85Å; A111-D113 VanDerWaalsContact C-N 3.29Å; A111-D113 PolarHBondContact O-N 2.84Å; A111-I114 HydrophobicContact CB-CD1 4.33Å; A111-I114 WeakPolarHBondContact O-CD1 3.33Å; A111-E117 HydrophobicContact CB-CB 3.73Å; A111-E117 HydrophobicContact CB-CG 4.11Å
112P97.4Very high98.4Very high143 Ų14350.1 Ų50.193%0.92926%0.261SS*.SBendtrans-66.7-32.2179.526.5-34.1000112.5
113D98.3Very high98.4Very high80 Ų8049 Ų4943%0.42826%0.255SS..SBendtrans-118.8100.5170.7-177.7-16.1000108.6A111 D115 A116 E117A111-D113 VanDerWaalsContact C-N 3.29Å; A111-D113 PolarHBondContact O-N 2.84Å; D113-D115 PolarHBondContact OD1-N 2.91Å; D113-D115 VanDerWaalsContact OD1-N 3.07Å; D113-A116 HydrophobicContact CB-CB 3.82Å; D113-A116 PolarHBondContact O-N 3.48Å; D113-A116 PolarHBondContact OD1-N 2.99Å; D113-A116 WeakPolarHBondContact OD2-CB 3.09Å; D113-E117 PolarHBondContact O-N 3.47Å
114I97.2Very high98.4Very high33 Ų3351.9 Ų51.917%0.16927%0.267CS..Hα-helixtrans-65.6-38.2-178.1-66.6-62.8000111.9A111 A116 E117 C118 I159 L186A111-I114 HydrophobicContact CB-CD1 4.33Å; A111-I114 WeakPolarHBondContact O-CD1 3.33Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-E117 WeakPolarHBondContact O-CB 3.33Å; I114-E117 PolarHBondContact O-N 3.45Å; I114-C118 PolarHBondContact O-N 3.12Å; I114-C118 PolarHBondContact O-SG 2.75Å; I114-C118 VanDerWaalsContact O-SG 3.38Å; I114-I159 HydrophobicContact CG2-CB 3.99Å; I114-I159 HydrophobicContact CG2-CD1 4.37Å; I114-L186 HydrophobicContact CD1-CD1 4.14Å; I114-L186 HydrophobicContact CD1-CD2 4.25Å; I114-L186 HydrophobicContact CG2-CD1 4.33Å; I114-L186 HydrophobicContact CG2-CD2 3.26Å; I114-L186 HydrophobicContact CG2-CG 4.42Å
115D97.9Very high98.4Very high92 Ų9251.1 Ų51.149%0.49226%0.263SS..Hα-helixtrans-71.1-34.8-179.7-70.5-40.1000110.7D113 R119D113-D115 PolarHBondContact OD1-N 2.91Å; D113-D115 VanDerWaalsContact OD1-N 3.07Å; D115-R119 WeakPolarHBondContact O-CG 3.07Å; D115-R119 PolarHBondContact O-N 3.29Å; D115-R119 PolarHBondContact O-NH1 3.05Å
116A98.6Very high98.4Very high18 Ų1857.4 Ų57.415%0.14929%0.286CS..Hα-helixtrans-64.5-44.1171.900000112.1D113 I114 C118 R119 Q120D113-A116 HydrophobicContact CB-CB 3.82Å; D113-A116 PolarHBondContact O-N 3.48Å; D113-A116 PolarHBondContact OD1-N 2.99Å; D113-A116 WeakPolarHBondContact OD2-CB 3.09Å; I114-A116 VanDerWaalsContact C-N 3.33Å; A116-C118 PolarHBondContact O-N 2.71Å; A116-R119 VanDerWaalsContact CA-NH2 3.33Å; A116-R119 PolarHBondContact O-N 2.96Å; A116-Q120 WeakPolarHBondContact O-CB 3.48Å; A116-Q120 VanDerWaalsContact O-CG 3.31Å; A116-Q120 WeakPolarHBondContact O-CG 3.28Å; A116-Q120 PolarHBondContact O-N 3.47Å
117E98.7Very high98.4Very high28 Ų2860.1 Ų60.113%0.13131%0.308CS..Hα-helixtrans-55.4-49.6174.2173.262.2-160.500111.2L107 N108 A111 D113 I114 R119 Q120 Y121 L186L107-E117 HydrophobicContact CD2-CG 4.23Å; N108-E117 HydrophobicContact CB-CG 4.24Å; N108-E117 PolarHBondContact N-OE1 2.83Å; A111-E117 HydrophobicContact CB-CB 3.73Å; A111-E117 HydrophobicContact CB-CG 4.11Å; D113-E117 PolarHBondContact O-N 3.47Å; I114-E117 WeakPolarHBondContact O-CB 3.33Å; I114-E117 PolarHBondContact O-N 3.45Å; E117-R119 VanDerWaalsContact C-N 3.35Å; E117-R119 PolarHBondContact O-N 3.31Å; E117-Q120 PolarHBondContact O-N 3.23Å; E117-Y121 WeakPolarHBondContact O-CB 3.46Å; E117-Y121 PolarHBondContact O-N 2.97Å; E117-L186 HydrophobicContact CG-CD1 3.87Å
118C98.8Very high98.4Very high4 Ų463.5 Ų63.53%0.02732%0.321CS..Hα-helixtrans-61-40.2178.4-69.90000112.9I114 A116 E122 T157 R158I114-C118 PolarHBondContact O-N 3.12Å; I114-C118 PolarHBondContact O-SG 2.75Å; I114-C118 VanDerWaalsContact O-SG 3.38Å; A116-C118 PolarHBondContact O-N 2.71Å; C118-E122 WeakPolarHBondContact O-CG 3.34Å; C118-E122 PolarHBondContact O-N 3.02Å; C118-T157 HydrophobicContact CB-CG2 3.89Å; C118-T157 WeakPolarHBondContact CB-O 3.39Å; C118-R158 VanDerWaalsContact SG-CA 3.56Å
119R98.7Very high98.4Very high130 Ų13062.4 Ų62.449%0.49133%0.327SS..Hα-helixtrans-65.2-45.5175.5-74.2-173.9-62.3-88.91.4112.1D115 A116 E117 Y121 E122 E123D115-R119 WeakPolarHBondContact O-CG 3.07Å; D115-R119 PolarHBondContact O-N 3.29Å; D115-R119 PolarHBondContact O-NH1 3.05Å; A116-R119 VanDerWaalsContact CA-NH2 3.33Å; A116-R119 PolarHBondContact O-N 2.96Å; E117-R119 VanDerWaalsContact C-N 3.35Å; E117-R119 PolarHBondContact O-N 3.31Å; R119-Y121 VanDerWaalsContact C-N 3.31Å; R119-Y121 PolarHBondContact O-N 3.38Å; R119-E122 WeakPolarHBondContact O-CB 3.15Å; R119-E122 PolarHBondContact O-N 3.28Å; R119-E123 WeakPolarHBondContact O-CG 3.41Å; R119-E123 PolarHBondContact O-N 3.01Å
120Q98.7Very high98.3Very high115 Ų11567.5 Ų67.554%0.53735%0.348SS..Hα-helixtrans-63.6-38178.8-72.8174.813.400111.6A116 E117 E123 K124A116-Q120 WeakPolarHBondContact O-CB 3.48Å; A116-Q120 VanDerWaalsContact O-CG 3.31Å; A116-Q120 WeakPolarHBondContact O-CG 3.28Å; A116-Q120 PolarHBondContact O-N 3.47Å; E117-Q120 PolarHBondContact O-N 3.23Å; Q120-E123 PolarHBondContact O-N 3.42Å; Q120-K124 WeakPolarHBondContact O-CB 3.14Å; Q120-K124 PolarHBondContact O-N 3.05Å
121Y98.9Very high98.4Very high9 Ų964.1 Ų64.14%0.03533%0.33CS..Hα-helixtrans-63-43.7176.1-155.6-102.1000111.8F69 N70 N105 L106 L107 E117 R119 K124 I125 T157 V188F69-Y121 AromaticContact CD1-CE1 3.96Å; F69-Y121 HydrophobicContact CD1-CE1 3.96Å; F69-Y121 HydrophobicContact CD1-CE2 4.19Å; F69-Y121 AromaticContact CD1-CZ 3.77Å; N70-Y121 PolarHBondContact N-OH 3.06Å; N70-Y121 PolarHBondContact O-OH 3.36Å; N105-Y121 HydrophobicContact CB-CE2 4.08Å; N105-Y121 PolarHBondContact O-OH 3.38Å; L106-Y121 VanDerWaalsContact C-CE2 3.5Å; L107-Y121 HydrophobicContact CD1-CD1 4.48Å; L107-Y121 HydrophobicContact CD1-CE1 4.35Å; L107-Y121 HydrophobicContact CD2-CD1 3.92Å; L107-Y121 HydrophobicContact CD2-CD2 3.8Å; L107-Y121 HydrophobicContact CD2-CE1 4.41Å; L107-Y121 HydrophobicContact CD2-CE2 4.35Å; L107-Y121 HydrophobicContact CD2-CG 3.55Å; L107-Y121 HydrophobicContact CG-CD1 4.02Å; L107-Y121 HydrophobicContact CG-CD2 3.95Å; L107-Y121 HydrophobicContact CG-CE1 4Å; L107-Y121 HydrophobicContact CG-CE2 3.98Å; L107-Y121 HydrophobicContact CG-CG 3.97Å; E117-Y121 WeakPolarHBondContact O-CB 3.46Å; E117-Y121 PolarHBondContact O-N 2.97Å; R119-Y121 VanDerWaalsContact C-N 3.31Å; R119-Y121 PolarHBondContact O-N 3.38Å; Y121-K124 PolarHBondContact O-N 2.99Å; Y121-I125 HydrophobicContact CD1-CD1 4.06Å; Y121-I125 HydrophobicContact CE1-CD1 4.21Å; Y121-I125 WeakPolarHBondContact O-CG1 3.27Å; Y121-I125 PolarHBondContact O-N 2.81Å; Y121-T157 HydrophobicContact CD1-CG2 4.43Å; Y121-V188 HydrophobicContact CD1-CG1 4.4Å; Y121-V188 HydrophobicContact CE1-CG1 4.04Å
122E98.9Very high98.4Very high7 Ų764.8 Ų64.83%0.03333%0.331CS..Hα-helixtrans-63.4-42.6173.8-74.3-84.1-161.900112.5C118 R119 K124 I125 R126 R156 T157 T192C118-E122 WeakPolarHBondContact O-CG 3.34Å; C118-E122 PolarHBondContact O-N 3.02Å; R119-E122 WeakPolarHBondContact O-CB 3.15Å; R119-E122 PolarHBondContact O-N 3.28Å; E122-K124 VanDerWaalsContact C-N 3.35Å; E122-I125 PolarHBondContact O-N 3.26Å; E122-R126 WeakPolarHBondContact O-CG 3.48Å; E122-R126 PolarHBondContact O-N 2.99Å; E122-R126 VanDerWaalsContact O-N 3.08Å; E122-R126 IonicContact OE2-NH2 3.71Å; E122-R156 WeakPolarHBondContact OE1-CB 3.23Å; E122-R156 IonicContact OE1-CZ 2.86Å; E122-R156 IonicContact OE1-NE 3.71Å; E122-R156 PolarHBondContact OE1-NE 2.7Å; E122-R156 IonicContact OE1-NH2 3.21Å; E122-R156 PolarHBondContact OE1-NH2 2.96Å; E122-R156 IonicContact OE2-CZ 3.47Å; E122-R156 IonicContact OE2-NE 3.95Å; E122-R156 PolarHBondContact OE2-NE 3Å; E122-R156 IonicContact OE2-NH2 3.51Å; E122-R156 PolarHBondContact OE2-NH2 3.45Å; E122-T157 WeakPolarHBondContact CG-OG1 3.35Å; E122-T157 PolarHBondContact OE1-N 3.18Å; E122-T157 PolarHBondContact OE1-OG1 3.19Å; E122-T157 VanDerWaalsContact OE1-OG1 3.07Å; E122-T192 PolarHBondContact OE1-OG1 2.91Å
123E98.7Very high98.5Very high114 Ų11458 Ų5853%0.53329%0.287SS..Hα-helixtrans-62.8-41.1175.2-74.1169.6-173.400111.8R119 Q120 R126 S127R119-E123 WeakPolarHBondContact O-CG 3.41Å; R119-E123 PolarHBondContact O-N 3.01Å; Q120-E123 PolarHBondContact O-N 3.42Å; E123-R126 CarbonylContact O-C 3.42Å; E123-R126 PolarHBondContact O-N 3.1Å; E123-S127 PolarHBondContact O-N 2.61Å
124K98.8Very high98.5Very high85 Ų8554.1 Ų54.137%0.3727%0.266SS..Hα-helixtrans-67.1-37.7178-163.5171.6-171.2-173.80112.1F69 N105 Q120 Y121 E122 R126 S127 Y128F69-K124 HydrophobicContact CE1-CB 4.19Å; F69-K124 HydrophobicContact CE1-CD 4.47Å; F69-K124 HydrophobicContact CE1-CG 4.12Å; F69-K124 HydrophobicContact CZ-CB 4.44Å; F69-K124 HydrophobicContact CZ-CG 4.06Å; N105-K124 WeakPolarHBondContact OD1-CD 3.39Å; N105-K124 WeakPolarHBondContact OD1-CE 3.18Å; N105-K124 PolarHBondContact OD1-NZ 3Å; Q120-K124 WeakPolarHBondContact O-CB 3.14Å; Q120-K124 PolarHBondContact O-N 3.05Å; Y121-K124 PolarHBondContact O-N 2.99Å; E122-K124 VanDerWaalsContact C-N 3.35Å; K124-R126 VanDerWaalsContact C-N 3.35Å; K124-S127 PolarHBondContact O-N 3.39Å; K124-S127 PolarHBondContact O-OG 2.95Å; K124-Y128 HydrophobicContact CG-CE2 4.39Å; K124-Y128 VanDerWaalsContact O-CD2 3.24Å; K124-Y128 WeakPolarHBondContact O-CD2 3.35Å
125I98.7Very high98.6Very high13 Ų1352.6 Ų52.67%0.06726%0.258CS..Hα-helixtrans-59.3-49.1170.4-69166.7000109.8F69 Y121 E122 S127 Y128 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.15Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CD2-CG1 4.32Å; F69-I125 HydrophobicContact CE1-CB 4.42Å; F69-I125 HydrophobicContact CE1-CG1 3.48Å; F69-I125 VanDerWaalsContact CE1-CG1 3.48Å; F69-I125 HydrophobicContact CE2-CG1 4.34Å; F69-I125 HydrophobicContact CG-CG1 3.9Å; F69-I125 HydrophobicContact CZ-CG1 3.94Å; Y121-I125 HydrophobicContact CD1-CD1 4.06Å; Y121-I125 HydrophobicContact CE1-CD1 4.21Å; Y121-I125 WeakPolarHBondContact O-CG1 3.27Å; Y121-I125 PolarHBondContact O-N 2.81Å; E122-I125 PolarHBondContact O-N 3.26Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.95Å; I125-Y128 PolarHBondContact O-N 3.43Å; I125-Y128 VanDerWaalsContact O-N 3.16Å; I125-I131 HydrophobicContact CD1-CD1 4.26Å; I125-I131 HydrophobicContact CG1-CD1 4.42Å; I125-I131 HydrophobicContact CG2-CD1 4.16Å; I125-I131 HydrophobicContact CG2-CG1 3.98Å; I125-T192 HydrophobicContact CD1-CG2 3.91Å
126R98.5Very high98.6Very high137 Ų13748.2 Ų48.252%0.51724%0.235SC..Hα-helixtrans-64-29.5-179.7-69.1178-161.3127.47.3113.4E122 E123 K124 Y128 G129E122-R126 WeakPolarHBondContact O-CG 3.48Å; E122-R126 PolarHBondContact O-N 2.99Å; E122-R126 VanDerWaalsContact O-N 3.08Å; E122-R126 IonicContact OE2-NH2 3.71Å; E123-R126 CarbonylContact O-C 3.42Å; E123-R126 PolarHBondContact O-N 3.1Å; K124-R126 VanDerWaalsContact C-N 3.35Å; R126-Y128 PolarHBondContact O-N 3.48Å; R126-G129 WeakPolarHBondContact O-CA 3.48Å; R126-G129 PolarHBondContact O-N 3.32Å
127S98.4Very high98.5Very high88 Ų8848.1 Ų48.162%0.61524%0.236SC*.Hα-helixtrans-65.4-20.4177.466.60000113.4E123 K124 I125E123-S127 PolarHBondContact O-N 2.61Å; K124-S127 PolarHBondContact O-N 3.39Å; K124-S127 PolarHBondContact O-OG 2.95Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.95Å
128Y98.5Very high98.5Very high75 Ų7547 Ų4729%0.29423%0.231SC..THydrogen-bonded Turntrans-94.26.8170.5-66.3-80.7000113.3P34 V36 V67 F69 K124 I125 R126 K130P34-Y128 HydrophobicContact CG-CD1 3.87Å; P34-Y128 HydrophobicContact CG-CE1 3.94Å; V36-Y128 HydrophobicContact CG2-CD1 4.42Å; V36-Y128 HydrophobicContact CG2-CG 4.19Å; V67-Y128 HydrophobicContact CB-CE1 4.47Å; V67-Y128 HydrophobicContact CG1-CD2 4.28Å; V67-Y128 HydrophobicContact CG1-CE1 4.26Å; V67-Y128 HydrophobicContact CG1-CE2 3.85Å; V67-Y128 HydrophobicContact CG2-CD1 4.44Å; V67-Y128 HydrophobicContact CG2-CE1 3.79Å; F69-Y128 AromaticContact CE2-CD2 3.93Å; F69-Y128 HydrophobicContact CE2-CD2 3.93Å; F69-Y128 HydrophobicContact CE2-CE2 4.26Å; F69-Y128 AromaticContact CZ-CD2 3.86Å; F69-Y128 HydrophobicContact CZ-CD2 3.86Å; F69-Y128 HydrophobicContact CZ-CE2 4.02Å; K124-Y128 HydrophobicContact CG-CE2 4.39Å; K124-Y128 VanDerWaalsContact O-CD2 3.24Å; K124-Y128 WeakPolarHBondContact O-CD2 3.35Å; I125-Y128 PolarHBondContact O-N 3.43Å; I125-Y128 VanDerWaalsContact O-N 3.16Å; R126-Y128 PolarHBondContact O-N 3.48Å; Y128-K130 PolarHBondContact O-N 3.34Å; Y128-K130 VanDerWaalsContact O-N 3.16Å
129G98.2Very high98.3Very high51 Ų5147.2 Ų47.253%0.52623%0.233SC..SBendtrans81.7-83.2-172.900000111.5R126R126-G129 WeakPolarHBondContact O-CA 3.48Å; R126-G129 PolarHBondContact O-N 3.32Å
130K97.4Very high98Very high109 Ų10944.4 Ų44.447%0.47423%0.228SC..  trans-138.6155.4-177.9-68.5-170.2172.2-157.50112.1Y128 H132 E197Y128-K130 PolarHBondContact O-N 3.34Å; Y128-K130 VanDerWaalsContact O-N 3.16Å; K130-H132 PolarHBondContact O-N 3.08Å; K130-E197 HydrophobicContact CB-CG 4.06Å; K130-E197 HydrophobicContact CD-CG 3.88Å
131I98.9Very high97.8Very high3 Ų340.2 Ų40.22%0.01521%0.21CC..  trans-71.4122.2160.9-63.7175.9000107.3V36 F69 I125 L133 F134 A196 E197V36-I131 HydrophobicContact CG1-CB 4.38Å; V36-I131 HydrophobicContact CG1-CG1 3.96Å; F69-I131 HydrophobicContact CB-CD1 4.34Å; I125-I131 HydrophobicContact CD1-CD1 4.26Å; I125-I131 HydrophobicContact CG1-CD1 4.42Å; I125-I131 HydrophobicContact CG2-CD1 4.16Å; I125-I131 HydrophobicContact CG2-CG1 3.98Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.44Å; I131-F134 HydrophobicContact CB-CD2 4.46Å; I131-F134 HydrophobicContact CD1-CD2 3.48Å; I131-F134 VanDerWaalsContact CD1-CD2 3.48Å; I131-F134 HydrophobicContact CD1-CE2 3.37Å; I131-F134 HydrophobicContact CD1-CG 4.44Å; I131-F134 HydrophobicContact CD1-CZ 4.24Å; I131-F134 HydrophobicContact CG2-CB 3.94Å; I131-F134 HydrophobicContact CG2-CD2 4.06Å; I131-F134 HydrophobicContact CG2-CG 4.16Å; I131-A196 HydrophobicContact CB-CB 4.05Å; I131-A196 HydrophobicContact CG2-CB 4.21Å; I131-A196 CarbonylContact O-C 3.55Å; I131-A196 VanDerWaalsContact O-CA 3.27Å; I131-A196 WeakPolarHBondContact O-CA 3.39Å; I131-E197 PolarHBondContact O-N 3.07Å
132H98.9Very high97.7Very high26 Ų2639.8 Ų39.812%0.1221%0.208CC..SBendtrans-76.5-37.5-176.7-62.390.5000111.4F27 F35 V36 K130 E197 E198F27-H132 AromaticContact CE2-CD2 3.51Å; F27-H132 AromaticContact CE2-NE2 3.24Å; F27-H132 WeakPolarHBondContact CE2-NE2 3.41Å; F27-H132 AromaticContact CZ-CD2 4Å; F27-H132 AromaticContact CZ-CE1 3.75Å; F27-H132 AromaticContact CZ-NE2 3.3Å; F27-H132 VanDerWaalsContact CZ-NE2 3.3Å; F27-H132 WeakPolarHBondContact CZ-NE2 3.24Å; F35-H132 HydrophobicContact CD2-CB 4.06Å; F35-H132 HydrophobicContact CE1-CB 4.32Å; F35-H132 HydrophobicContact CE2-CB 3.64Å; F35-H132 HydrophobicContact CZ-CB 3.79Å; V36-H132 WeakPolarHBondContact CB-ND1 3.49Å; V36-H132 PolarHBondContact N-ND1 2.67Å; V36-H132 PolarHBondContact O-N 2.86Å; K130-H132 PolarHBondContact O-N 3.08Å; H132-E197 IonicContact CD2-OE1 3.78Å; H132-E197 IonicContact CD2-OE2 3.94Å; H132-E198 PolarHBondContact O-N 3.35Å
133L98.9Very high97.6Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-142.2124.6173.9175.160.5000109I20 R23 F35 V36 L37 G38 I131 E198 M200I20-L133 HydrophobicContact CB-CD2 4.35Å; I20-L133 HydrophobicContact CG1-CD2 3.62Å; R23-L133 HydrophobicContact CB-CD2 4.5Å; R23-L133 HydrophobicContact CG-CD2 4.3Å; F35-L133 HydrophobicContact CE1-CB 4.17Å; F35-L133 HydrophobicContact CZ-CB 3.83Å; V36-L133 PolarHBondContact O-N 3.41Å; L37-L133 CarbonylContact C-O 3.53Å; L37-L133 WeakPolarHBondContact CA-O 3.31Å; L37-L133 HydrophobicContact CD1-CB 4.17Å; L37-L133 HydrophobicContact CD1-CD2 4.18Å; L37-L133 HydrophobicContact CD1-CG 4.13Å; G38-L133 PolarHBondContact N-O 2.66Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.44Å; L133-E198 CarbonylContact C-O 3.53Å; L133-E198 WeakPolarHBondContact CA-O 3.41Å; L133-E198 HydrophobicContact CD1-CB 3.98Å; L133-E198 HydrophobicContact CD1-CG 3.77Å; L133-M200 HydrophobicContact CD1-CB 4.03Å
134F98.8Very high97.5Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-110.1108.7173.6-146.5-34.7000109.5G38 M71 I131 V188 L193 A196 E198 V199 M200G38-F134 VanDerWaalsContact C-CD1 3.48Å; G38-F134 VanDerWaalsContact CA-CE1 3.49Å; M71-F134 HydrophobicContact CE-CD1 3.5Å; M71-F134 HydrophobicContact CE-CE1 3.39Å; M71-F134 HydrophobicContact CE-CG 4.45Å; M71-F134 HydrophobicContact CE-CZ 4.2Å; M71-F134 HydrophobicContact CG-CD1 4.41Å; M71-F134 HydrophobicContact CG-CE1 3.39Å; M71-F134 HydrophobicContact CG-CZ 3.79Å; M71-F134 HydrophobicContact SD-CE1 4.28Å; I131-F134 HydrophobicContact CB-CD2 4.46Å; I131-F134 HydrophobicContact CD1-CD2 3.48Å; I131-F134 VanDerWaalsContact CD1-CD2 3.48Å; I131-F134 HydrophobicContact CD1-CE2 3.37Å; I131-F134 HydrophobicContact CD1-CG 4.44Å; I131-F134 HydrophobicContact CD1-CZ 4.24Å; I131-F134 HydrophobicContact CG2-CB 3.94Å; I131-F134 HydrophobicContact CG2-CD2 4.06Å; I131-F134 HydrophobicContact CG2-CG 4.16Å; F134-V188 HydrophobicContact CE2-CG2 4.36Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; F134-L193 HydrophobicContact CB-CD1 4.09Å; F134-L193 HydrophobicContact CD1-CD1 4.02Å; F134-L193 HydrophobicContact CD2-CD1 3.8Å; F134-L193 HydrophobicContact CE2-CD1 4.27Å; F134-L193 HydrophobicContact CG-CD1 3.68Å; F134-A196 HydrophobicContact CB-CB 3.94Å; F134-A196 HydrophobicContact CD2-CB 4.46Å; F134-E198 PolarHBondContact N-O 2.82Å; F134-V199 WeakPolarHBondContact O-CA 3.43Å; F134-M200 PolarHBondContact O-N 3.12Å
135M98.8Very high97.4Very high0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-85.6136.3172.3-176.8173.769.100110.4I20 G38 L39 P40 P45 T48 Y49 M71 M200 L202I20-M135 HydrophobicContact CD1-CE 4.3Å; I20-M135 HydrophobicContact CD1-SD 3.75Å; G38-M135 PolarHBondContact O-N 2.99Å; L39-M135 HydrophobicContact CD2-CE 3.93Å; P40-M135 WeakPolarHBondContact CD-O 3.41Å; P40-M135 HydrophobicContact CG-CE 4.06Å; P40-M135 HydrophobicContact CG-CG 4.15Å; P40-M135 WeakPolarHBondContact CG-O 3.29Å; P45-M135 HydrophobicContact CB-CE 4.07Å; T48-M135 HydrophobicContact CG2-CE 4.15Å; T48-M135 HydrophobicContact CG2-SD 3.82Å; Y49-M135 HydrophobicContact CE1-CE 4.08Å; M71-M135 VanDerWaalsContact CE-O 3.27Å; M71-M135 WeakPolarHBondContact CE-O 3.19Å; M135-M200 CarbonylContact C-O 3.55Å; M135-M200 VanDerWaalsContact CA-O 3.24Å; M135-M200 WeakPolarHBondContact CA-O 3.25Å; M135-M200 HydrophobicContact CB-CE 4.11Å; M135-M200 HydrophobicContact CG-CE 3.79Å; M135-M200 HydrophobicContact SD-CE 3.7Å; M135-L202 HydrophobicContact CG-CD1 4.38Å; M135-L202 HydrophobicContact CG-CG 4.36Å; M135-L202 HydrophobicContact SD-CD1 3.88Å; M135-L202 HydrophobicContact SD-CG 4.4Å
136G98.3Very high97.4Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-138.1166.2178.200000113.2M71 M200 I201 L202M71-G136 VanDerWaalsContact CE-CA 3.42Å; G136-M200 PolarHBondContact N-O 3.45Å; G136-I201 WeakPolarHBondContact O-CA 3.24Å; G136-L202 PolarHBondContact O-N 3.45Å
137G97Very high97.4Very high16 Ų1625.1 Ų25.117%0.16515%0.148CC..EExtended strand (participates in β ladder)trans-106.9-178.6160.500000110.7
138V97.5Very high97.3Very high6 Ų621.1 Ų21.14%0.03612%0.119CC..  trans-129139.5171.767.40000111.5H143 I201 V203 K208 A211 I226V138-H143 CarbonylContact C-O 3.49Å; V138-H143 WeakPolarHBondContact CA-O 3.33Å; V138-I201 HydrophobicContact CB-CG2 4.17Å; V138-V203 HydrophobicContact CG1-CB 4.23Å; V138-V203 HydrophobicContact CG1-CG1 3.75Å; V138-V203 HydrophobicContact CG1-CG2 3.81Å; V138-K208 HydrophobicContact CG1-CB 4.48Å; V138-K208 HydrophobicContact CG1-CD 4.45Å; V138-K208 WeakPolarHBondContact O-CE 3.48Å; V138-K208 PolarHBondContact O-NZ 3.24Å; V138-A211 HydrophobicContact CG2-CB 3.99Å; V138-I226 HydrophobicContact CB-CD1 3.8Å; V138-I226 HydrophobicContact CG1-CD1 4.27Å; V138-I226 HydrophobicContact CG2-CB 4.04Å; V138-I226 HydrophobicContact CG2-CD1 3.52Å; V138-I226 HydrophobicContact CG2-CG1 4.32Å; V138-I226 HydrophobicContact CG2-CG2 4.23Å
139G94.5Very high97.2Very high7 Ų719.1 Ų19.17%0.07212%0.116CC..  trans-71167.6171.200000113.6D141 G142 H143G139-D141 PolarHBondContact O-N 3.02Å; G139-G142 PolarHBondContact O-N 3.29Å; G139-G142 VanDerWaalsContact O-N 3.14Å; G139-H143 WeakPolarHBondContact CA-NE2 3.35Å; G139-H143 PolarHBondContact N-O 3.37Å
140N93.2Very high97.2Very high71 Ų7119.4 Ų19.438%0.3811%0.113SC..THydrogen-bonded Turntrans-63.5-29.8175.8-68-2.4000111.9K208N140-K208 VanDerWaalsContact OD1-CD 3.27Å; N140-K208 WeakPolarHBondContact OD1-CD 3.37Å; N140-K208 WeakPolarHBondContact OD1-CE 3.37Å
141D94.2Very high97.2Very high28 Ų2814.4 Ų14.415%0.159%0.092CC..THydrogen-bonded Turntrans-90.78177.164.5-3.9000113.4G139 H143 P149G139-D141 PolarHBondContact O-N 3.02Å; D141-H143 IonicContact OD1-CE1 3.67Å; D141-H143 IonicContact OD1-CG 2.88Å; D141-H143 VanDerWaalsContact OD1-CG 3.28Å; D141-H143 PolarHBondContact OD1-N 2.89Å; D141-H143 IonicContact OD1-ND1 3.51Å; D141-H143 PolarHBondContact OD1-ND1 2.98Å; D141-H143 IonicContact OD2-ND1 2.7Å; D141-H143 PolarHBondContact OD2-ND1 3.47Å; D141-P149 HydrophobicContact CB-CG 3.84Å; D141-P149 WeakPolarHBondContact OD2-CD 3.46Å
142G96.7Very high97.2Very high0 Ų017.6 Ų17.60%011%0.114CC..  trans82.29.9-179.600000116.1G139 T225 I226G139-G142 PolarHBondContact O-N 3.29Å; G139-G142 VanDerWaalsContact O-N 3.14Å; G142-T225 PolarHBondContact O-N 3.33Å; G142-T225 PolarHBondContact O-OG1 2.9Å; G142-I226 WeakPolarHBondContact O-CB 3.25Å; G142-I226 WeakPolarHBondContact O-CG2 3.07Å; G142-I226 PolarHBondContact O-N 3.42Å
143H97Very high97.2Very high28 Ų2818.3 Ų18.313%0.1312%0.119CC..  trans-65.9141.2175.468.5-119.4000112.6V138 G139 D141 A145 N147 T225V138-H143 CarbonylContact C-O 3.49Å; V138-H143 WeakPolarHBondContact CA-O 3.33Å; G139-H143 WeakPolarHBondContact CA-NE2 3.35Å; G139-H143 PolarHBondContact N-O 3.37Å; D141-H143 IonicContact OD1-CE1 3.67Å; D141-H143 IonicContact OD1-CG 2.88Å; D141-H143 VanDerWaalsContact OD1-CG 3.28Å; D141-H143 PolarHBondContact OD1-N 2.89Å; D141-H143 IonicContact OD1-ND1 3.51Å; D141-H143 PolarHBondContact OD1-ND1 2.98Å; D141-H143 IonicContact OD2-ND1 2.7Å; D141-H143 PolarHBondContact OD2-ND1 3.47Å; H143-A145 PolarHBondContact CD2-O 2.95Å; H143-N147 WeakPolarHBondContact CB-O 3.35Å; H143-T225 WeakPolarHBondContact CA-OG1 3.44Å
144I96.6Very high97.2Very high3 Ų322 Ų222%0.01515%0.149CC..SBendtrans-107.7136.1161.9-55.2172.4000108.6M71 N147 L193 I201 T225 I226 L229M71-I144 HydrophobicContact CE-CG2 4.06Å; M71-I144 HydrophobicContact SD-CG2 4.5Å; I144-N147 VanDerWaalsContact O-CB 3.28Å; I144-N147 WeakPolarHBondContact O-CB 3.35Å; I144-N147 PolarHBondContact O-N 3.27Å; I144-N147 PolarHBondContact O-ND2 2.88Å; I144-L193 HydrophobicContact CB-CD2 4.23Å; I144-L193 HydrophobicContact CD1-CD2 3.69Å; I144-L193 HydrophobicContact CG2-CD1 4.36Å; I144-L193 HydrophobicContact CG2-CD2 3.66Å; I144-I201 HydrophobicContact CD1-CD1 4.15Å; I144-I201 HydrophobicContact CD1-CG1 4.16Å; I144-I201 HydrophobicContact CG1-CD1 4.46Å; I144-I201 HydrophobicContact CG2-CD1 3.95Å; I144-T225 PolarHBondContact N-OG1 3Å; I144-I226 HydrophobicContact CD1-CB 4.08Å; I144-I226 HydrophobicContact CD1-CG1 4.05Å; I144-I226 HydrophobicContact CG1-CB 3.99Å; I144-I226 HydrophobicContact CG1-CG1 4.26Å; I144-L229 HydrophobicContact CD1-CD1 4.38Å; I144-L229 HydrophobicContact CD1-CD2 4.13Å; I144-L229 HydrophobicContact CD1-CG 4.11Å
145A97Very high97.2Very high10 Ų1022.4 Ų22.48%0.08315%0.152CC..THydrogen-bonded Turntrans53.3-139.7-163.600000108.9M71 D72 H143 T187 V188M71-A145 HydrophobicContact CB-CB 3.81Å; M71-A145 HydrophobicContact CG-CB 4.2Å; M71-A145 HydrophobicContact SD-CB 3.92Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.22Å; D72-A145 WeakPolarHBondContact OD2-CB 3.21Å; H143-A145 PolarHBondContact CD2-O 2.95Å; A145-T187 VanDerWaalsContact CB-OG1 3.24Å; A145-T187 WeakPolarHBondContact CB-OG1 3.39Å; A145-V188 HydrophobicContact CB-CG2 4.08Å
146F97.7Very high97.2Very high5 Ų526.1 Ų26.12%0.02217%0.166CC..THydrogen-bonded Turntrans-96.329.2166.7-68.9-59.5000113.1D72 Y74 Y85 E148 K160 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.53Å; D72-F146 HydrophobicContact CB-CE2 3.84Å; D72-F146 PolarHBondContact OD2-N 3.06Å; Y74-F146 HydrophobicContact CE1-CE2 4.48Å; Y74-F146 HydrophobicContact CE1-CZ 4.08Å; Y85-F146 AromaticContact CE2-CE2 3.76Å; Y85-F146 HydrophobicContact CE2-CE2 3.76Å; Y85-F146 HydrophobicContact CE2-CZ 4.02Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.34Å; F146-E148 PolarHBondContact O-N 3.39Å; F146-K160 WeakPolarHBondContact O-CG 3.44Å; F146-L162 HydrophobicContact CB-CD2 4.03Å; F146-L162 HydrophobicContact CD1-CD2 3.44Å; F146-L162 VanDerWaalsContact CD1-CD2 3.44Å; F146-L162 HydrophobicContact CD2-CD2 4.09Å; F146-L162 HydrophobicContact CE1-CD1 4.4Å; F146-L162 HydrophobicContact CE1-CD2 3.78Å; F146-L162 HydrophobicContact CE2-CD2 4.37Å; F146-L162 HydrophobicContact CG-CD2 3.61Å; F146-L162 HydrophobicContact CZ-CD1 4.4Å; F146-L162 HydrophobicContact CZ-CD2 4.22Å; F146-T166 HydrophobicContact CD1-CG2 4.09Å; F146-T166 HydrophobicContact CE1-CG2 3.68Å; F146-A185 HydrophobicContact CD2-CB 3.3Å; F146-A185 HydrophobicContact CE2-CB 3.51Å; F146-A185 HydrophobicContact CG-CB 4.13Å; F146-A185 HydrophobicContact CZ-CB 4.48Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 2.83Å
147N98.3Very high97.2Very high2 Ų226.7 Ų26.71%0.01117%0.17CC..  trans-7770.7172.3-62.5-75.4000111.1H143 I144 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.35Å; I144-N147 VanDerWaalsContact O-CB 3.28Å; I144-N147 WeakPolarHBondContact O-CB 3.35Å; I144-N147 PolarHBondContact O-N 3.27Å; I144-N147 PolarHBondContact O-ND2 2.88Å; N147-S155 PolarHBondContact OD1-OG 2.86Å; N147-R158 PolarHBondContact OD1-NH1 3.49Å; N147-R158 PolarHBondContact OD1-NH2 3.17Å; N147-R158 VanDerWaalsContact OD1-NH2 3.07Å; N147-V188 PolarHBondContact ND2-O 2.85Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-T225 HydrophobicContact CB-CG2 4.43Å; N147-T225 WeakPolarHBondContact O-CB 3.32Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.71Å
148E96.4Very high97.3Very high3 Ų328.6 Ų28.61%0.01417%0.172CC..  trans-59.2163.9-179.6-66.7-166.5124.700113.1F146 S151 L162 T163 T166F146-E148 PolarHBondContact O-N 3.39Å; E148-S151 PolarHBondContact N-OG 3.45Å; E148-S151 WeakPolarHBondContact O-CB 3.46Å; E148-S151 PolarHBondContact O-N 3.27Å; E148-S151 PolarHBondContact O-OG 3.37Å; E148-L162 VanDerWaalsContact OE2-CA 3.32Å; E148-L162 WeakPolarHBondContact OE2-CA 3.4Å; E148-T163 HydrophobicContact CB-CG2 4.25Å; E148-T163 HydrophobicContact CG-CG2 4.33Å; E148-T163 WeakPolarHBondContact OE1-CB 3.39Å; E148-T163 WeakPolarHBondContact OE1-CG2 3.37Å; E148-T163 PolarHBondContact OE1-N 2.89Å; E148-T163 PolarHBondContact OE1-OG1 2.84Å; E148-T163 VanDerWaalsContact OE2-CG2 3.28Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.38Å; E148-T163 PolarHBondContact OE2-N 2.97Å; E148-T166 VanDerWaalsContact OE1-CB 3.29Å; E148-T166 WeakPolarHBondContact OE1-CB 3.38Å; E148-T166 PolarHBondContact OE1-OG1 3.46Å
149P97Very high97.3Very high33 Ų3331.5 Ų31.521%0.21419%0.187CC..THydrogen-bonded Turntrans-45.9143.4178-30.334.3000113.5D141 S151 M223D141-P149 HydrophobicContact CB-CG 3.84Å; D141-P149 WeakPolarHBondContact OD2-CD 3.46Å; P149-S151 PolarHBondContact O-N 2.91Å; P149-M223 HydrophobicContact CB-CE 3.8Å; P149-M223 WeakPolarHBondContact CB-O 3.46Å; P149-M223 HydrophobicContact CB-SD 4.28Å; P149-M223 WeakPolarHBondContact CG-O 3.36Å
150A97.7Very high97.5Very high57 Ų5733.4 Ų33.447%0.47119%0.193SC..THydrogen-bonded Turntrans67.77.5-170.900000115.9H222 M223A150-H222 WeakPolarHBondContact CA-O 3.43Å; A150-H222 PolarHBondContact N-O 3.39Å; A150-M223 HydrophobicContact CB-SD 4.08Å
151S98.5Very high97.7Very high4 Ų433.9 Ų33.93%0.02820%0.198CC..  trans-65.7139.9170.3-67.10000111.5E148 P149 L153 R158 H222E148-S151 PolarHBondContact N-OG 3.45Å; E148-S151 WeakPolarHBondContact O-CB 3.46Å; E148-S151 PolarHBondContact O-N 3.27Å; E148-S151 PolarHBondContact O-OG 3.37Å; P149-S151 PolarHBondContact O-N 2.91Å; S151-L153 PolarHBondContact O-N 2.79Å; S151-R158 PolarHBondContact OG-NH2 2.92Å; S151-R158 VanDerWaalsContact OG-NH2 3.08Å; S151-H222 WeakPolarHBondContact O-CB 3.28Å
152S98.7Very high97.6Very high70 Ų7033 Ų3349%0.4919%0.193SC..  trans-56.7131.5174.7172.40000110.9A154 S155S152-A154 PolarHBondContact O-N 3.44Å; S152-A154 PolarHBondContact OG-N 3.01Å; S152-S155 WeakPolarHBondContact O-CB 3.11Å; S152-S155 PolarHBondContact O-N 3.4Å; S152-S155 PolarHBondContact O-OG 2.82Å
153L98.5Very high97.4Very high42 Ų4235.2 Ų35.222%0.2221%0.207CC..THydrogen-bonded Turntrans-69.4-10.8176.3-63.6-178.2000113S151 V190 V220 H222 T225 C228S151-L153 PolarHBondContact O-N 2.79Å; L153-V190 HydrophobicContact CD2-CG1 4.38Å; L153-V190 VanDerWaalsContact O-CG1 3.27Å; L153-V190 WeakPolarHBondContact O-CG1 3.4Å; L153-V220 HydrophobicContact CD1-CG1 3.61Å; L153-H222 HydrophobicContact CD2-CB 4.44Å; L153-H222 HydrophobicContact CG-CB 4.26Å; L153-T225 HydrophobicContact CD2-CG2 4.46Å; L153-C228 HydrophobicContact CD2-CB 4.21Å
154A98.4Very high97.2Very high76 Ų7639.7 Ų39.763%0.62823%0.228SC*.THydrogen-bonded Turntrans-112.118.3171.800000112.2S152S152-A154 PolarHBondContact O-N 3.44Å; S152-A154 PolarHBondContact OG-N 3.01Å
155S98.7Very high96.8Very high10 Ų1045.1 Ų45.17%0.0726%0.257CS..  trans-60.2151.8179.951.30000112.4N147 S152 R158 G189 V190 G191N147-S155 PolarHBondContact OD1-OG 2.86Å; S152-S155 WeakPolarHBondContact O-CB 3.11Å; S152-S155 PolarHBondContact O-N 3.4Å; S152-S155 PolarHBondContact O-OG 2.82Å; S155-R158 VanDerWaalsContact CB-NH1 3.34Å; S155-R158 PolarHBondContact OG-NH1 2.95Å; S155-G189 CarbonylContact O-C 3.56Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.05Å; S155-V190 PolarHBondContact O-N 2.7Å; S155-V190 PolarHBondContact OG-N 3.48Å; S155-G191 WeakPolarHBondContact O-CA 3.36Å; S155-G191 PolarHBondContact O-N 3.17Å
156R98.8Very high96.5Very high77 Ų7744.9 Ų44.929%0.29126%0.255SS..  trans-107.4177.4171.6-58.9-46.3-59.8-165.3-4.6110.8E122 R158 G189 G191 D195E122-R156 WeakPolarHBondContact OE1-CB 3.23Å; E122-R156 IonicContact OE1-CZ 2.86Å; E122-R156 IonicContact OE1-NE 3.71Å; E122-R156 PolarHBondContact OE1-NE 2.7Å; E122-R156 IonicContact OE1-NH2 3.21Å; E122-R156 PolarHBondContact OE1-NH2 2.96Å; E122-R156 IonicContact OE2-CZ 3.47Å; E122-R156 IonicContact OE2-NE 3.95Å; E122-R156 PolarHBondContact OE2-NE 3Å; E122-R156 IonicContact OE2-NH2 3.51Å; E122-R156 PolarHBondContact OE2-NH2 3.45Å; R156-R158 PolarHBondContact O-N 3.42Å; R156-R158 PolarHBondContact O-NH1 3.49Å; R156-G189 WeakPolarHBondContact O-CA 3.28Å; R156-G191 PolarHBondContact NH1-O 3.03Å; R156-D195 IonicContact CZ-OD2 3.47Å; R156-D195 IonicContact NH1-OD1 2.84Å; R156-D195 IonicContact NH1-OD2 3.78Å; R156-D195 PolarHBondContact NH1-OD2 2.81Å; R156-D195 IonicContact NH2-OD2 2.7Å; R156-D195 PolarHBondContact NH2-OD2 2.86Å
157T98.9Very high96.3Very high12 Ų1246.4 Ų46.47%0.07426%0.26CS..SBendtrans-54.3128.3173.7-53.20000110.5L107 C118 Y121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.18Å; L107-T157 HydrophobicContact CD2-CG2 3.87Å; C118-T157 HydrophobicContact CB-CG2 3.89Å; C118-T157 WeakPolarHBondContact CB-O 3.39Å; Y121-T157 HydrophobicContact CD1-CG2 4.43Å; E122-T157 WeakPolarHBondContact CG-OG1 3.35Å; E122-T157 PolarHBondContact OE1-N 3.18Å; E122-T157 PolarHBondContact OE1-OG1 3.19Å; E122-T157 VanDerWaalsContact OE1-OG1 3.07Å; T157-T187 CarbonylContact C-O 3.47Å; T157-T187 WeakPolarHBondContact CA-O 3.19Å; T157-T192 PolarHBondContact N-OG1 3.09Å
158R98.8Very high96.1Very high57 Ų5749.6 Ų49.622%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-161.1167.2-173.866-170.7-172.7-63.7-2.1111.7C118 N147 S151 S155 R156 T187C118-R158 VanDerWaalsContact SG-CA 3.56Å; N147-R158 PolarHBondContact OD1-NH1 3.49Å; N147-R158 PolarHBondContact OD1-NH2 3.17Å; N147-R158 VanDerWaalsContact OD1-NH2 3.07Å; S151-R158 PolarHBondContact OG-NH2 2.92Å; S151-R158 VanDerWaalsContact OG-NH2 3.08Å; S155-R158 VanDerWaalsContact CB-NH1 3.34Å; S155-R158 PolarHBondContact OG-NH1 2.95Å; R156-R158 PolarHBondContact O-N 3.42Å; R156-R158 PolarHBondContact O-NH1 3.49Å; R158-T187 PolarHBondContact N-O 2.9Å; R158-T187 PolarHBondContact O-N 2.91Å
159I98.4Very high95.7Very high67 Ų6751 Ų5134%0.34429%0.291SS..EExtended strand (participates in β ladder)trans-68.3141.2161-167.4167.6000111V75 I114 Y184 A185 L186V75-I159 HydrophobicContact CG2-CD1 4.25Å; V75-I159 HydrophobicContact CG2-CG1 4.34Å; I114-I159 HydrophobicContact CG2-CB 3.99Å; I114-I159 HydrophobicContact CG2-CD1 4.37Å; I159-Y184 HydrophobicContact CD1-CD1 4.43Å; I159-Y184 HydrophobicContact CD1-CG 4.28Å; I159-A185 CarbonylContact C-O 3.58Å; I159-A185 WeakPolarHBondContact CA-O 3.46Å; I159-L186 HydrophobicContact CB-CD2 3.92Å; I159-L186 HydrophobicContact CG1-CD2 4.13Å
160K98.1Very high95.4Very high46 Ų4650.2 Ų50.220%0.229%0.286CS..EExtended strand (participates in β ladder)trans-136.5130.8175.6-175.261.8179.7171.30110.8F146 Y184 A185 T187F146-K160 WeakPolarHBondContact O-CG 3.44Å; K160-Y184 CarbonylContact O-C 3.59Å; K160-Y184 VanDerWaalsContact O-CA 3.27Å; K160-Y184 WeakPolarHBondContact O-CA 3.4Å; K160-A185 PolarHBondContact N-O 2.79Å; K160-A185 PolarHBondContact O-N 3.4Å; K160-T187 HydrophobicContact CB-CG2 3.95Å
161T96.4Very high95.3Very high81 Ų8148.2 Ų48.250%0.49727%0.268SS..EExtended strand (participates in β ladder)trans-71.2126.2167-47.70000109Y184T161-Y184 HydrophobicContact CG2-CD1 4.24Å; T161-Y184 HydrophobicContact CG2-CE1 4.01Å; T161-Y184 WeakPolarHBondContact OG1-CE1 3.31Å
162L93.9Very high95Very high9 Ų954.1 Ų54.15%0.04729%0.29CS..PPolyproline II helixtrans-78.1135.7177-55.7-175.1000110.5Y74 F146 E148 T166 R167 K183 A185Y74-L162 HydrophobicContact CD1-CD1 4.16Å; Y74-L162 HydrophobicContact CE1-CD1 3.76Å; F146-L162 HydrophobicContact CB-CD2 4.03Å; F146-L162 HydrophobicContact CD1-CD2 3.44Å; F146-L162 VanDerWaalsContact CD1-CD2 3.44Å; F146-L162 HydrophobicContact CD2-CD2 4.09Å; F146-L162 HydrophobicContact CE1-CD1 4.4Å; F146-L162 HydrophobicContact CE1-CD2 3.78Å; F146-L162 HydrophobicContact CE2-CD2 4.37Å; F146-L162 HydrophobicContact CG-CD2 3.61Å; F146-L162 HydrophobicContact CZ-CD1 4.4Å; F146-L162 HydrophobicContact CZ-CD2 4.22Å; E148-L162 VanDerWaalsContact OE2-CA 3.32Å; E148-L162 WeakPolarHBondContact OE2-CA 3.4Å; L162-T166 HydrophobicContact CB-CG2 4.42Å; L162-T166 HydrophobicContact CD1-CG2 4.48Å; L162-T166 HydrophobicContact CD2-CG2 4.4Å; L162-R167 HydrophobicContact CB-CG 3.88Å; L162-R167 HydrophobicContact CD1-CG 4.44Å; L162-K183 PolarHBondContact N-O 2.83Å; L162-A185 HydrophobicContact CD2-CB 3.96Å; L162-A185 HydrophobicContact CG-CB 4.48Å
163T90.8Very high94.7Very high48 Ų4854.1 Ų54.129%0.29428%0.281SS..PPolyproline II helixtrans-63.5162173.162.10000111.1E148 D165 T166 R167E148-T163 HydrophobicContact CB-CG2 4.25Å; E148-T163 HydrophobicContact CG-CG2 4.33Å; E148-T163 WeakPolarHBondContact OE1-CB 3.39Å; E148-T163 WeakPolarHBondContact OE1-CG2 3.37Å; E148-T163 PolarHBondContact OE1-N 2.89Å; E148-T163 PolarHBondContact OE1-OG1 2.84Å; E148-T163 VanDerWaalsContact OE2-CG2 3.28Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.38Å; E148-T163 PolarHBondContact OE2-N 2.97Å; T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.22Å; T163-T166 PolarHBondContact O-N 3.43Å; T163-T166 WeakPolarHBondContact OG1-CB 3.15Å; T163-T166 PolarHBondContact OG1-N 3.21Å; T163-T166 PolarHBondContact OG1-OG1 2.9Å; T163-R167 WeakPolarHBondContact O-CG 3.29Å; T163-R167 PolarHBondContact O-N 2.84Å; T163-R167 VanDerWaalsContact O-N 3.1Å
164H92.9Very high94.5Very high122 Ų12252.3 Ų52.357%0.56527%0.272SS*.Hα-helixtrans-58.1-44.4172.5-176.165.2000111.6T166 R167 V168H164-T166 PolarHBondContact O-N 2.86Å; H164-R167 PolarHBondContact O-N 3.02Å; H164-R167 VanDerWaalsContact O-N 3.14Å; H164-V168 WeakPolarHBondContact NE2-CG2 3.45Å; H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.37Å
165D89.7Confident94.4Very high116 Ų11655 Ų5562%0.6228%0.275SS*.Hα-helixtrans-62.4-43.6-178-65.4-19.2000112T163 R167 V168 A169T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.22Å; D165-R167 PolarHBondContact O-N 2.96Å; D165-V168 PolarHBondContact O-N 3.41Å; D165-A169 WeakPolarHBondContact O-CB 3.39Å; D165-A169 PolarHBondContact O-N 3.12Å
166T89.8Confident94.2Very high6 Ų660.3 Ų60.34%0.03730%0.303CS..Hα-helixtrans-61-44173.8-65.50000111.4F146 E148 L162 T163 H164 A169 N170F146-T166 HydrophobicContact CD1-CG2 4.09Å; F146-T166 HydrophobicContact CE1-CG2 3.68Å; E148-T166 VanDerWaalsContact OE1-CB 3.29Å; E148-T166 WeakPolarHBondContact OE1-CB 3.38Å; E148-T166 PolarHBondContact OE1-OG1 3.46Å; L162-T166 HydrophobicContact CB-CG2 4.42Å; L162-T166 HydrophobicContact CD1-CG2 4.48Å; L162-T166 HydrophobicContact CD2-CG2 4.4Å; T163-T166 PolarHBondContact O-N 3.43Å; T163-T166 WeakPolarHBondContact OG1-CB 3.15Å; T163-T166 PolarHBondContact OG1-N 3.21Å; T163-T166 PolarHBondContact OG1-OG1 2.9Å; H164-T166 PolarHBondContact O-N 2.86Å; T166-A169 PolarHBondContact O-N 2.82Å; T166-N170 WeakPolarHBondContact O-CB 3.43Å; T166-N170 PolarHBondContact O-N 3.37Å
167R93.8Very high94.1Very high36 Ų3659.5 Ų59.514%0.13630%0.304CS..Hα-helixtrans-66.6-38.3178.5-68.7178.467.8-129.7-2.5112.1L162 T163 H164 D165 N170 S171 V178 V181L162-R167 HydrophobicContact CB-CG 3.88Å; L162-R167 HydrophobicContact CD1-CG 4.44Å; T163-R167 WeakPolarHBondContact O-CG 3.29Å; T163-R167 PolarHBondContact O-N 2.84Å; T163-R167 VanDerWaalsContact O-N 3.1Å; H164-R167 PolarHBondContact O-N 3.02Å; H164-R167 VanDerWaalsContact O-N 3.14Å; D165-R167 PolarHBondContact O-N 2.96Å; R167-N170 PolarHBondContact O-N 3.37Å; R167-S171 PolarHBondContact O-N 2.76Å; R167-V178 HydrophobicContact CB-CG2 3.8Å; R167-V178 PolarHBondContact NH2-O 3.02Å; R167-V181 HydrophobicContact CB-CB 4.32Å; R167-V181 HydrophobicContact CB-CG1 4.14Å; R167-V181 HydrophobicContact CG-CB 4.44Å; R167-V181 HydrophobicContact CG-CG1 3.99Å; R167-V181 PolarHBondContact NE-O 2.96Å; R167-V181 PolarHBondContact NH2-O 3.29Å; R167-V181 VanDerWaalsContact NH2-O 3.14Å
168V93.2Very high93.9Very high70 Ų7060.6 Ų60.642%0.42431%0.311SS..Hα-helixtrans-65.9-43.6174170.30000110.8H164 D165 N170 S171 V178H164-V168 WeakPolarHBondContact NE2-CG2 3.45Å; H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.37Å; D165-V168 PolarHBondContact O-N 3.41Å; V168-N170 VanDerWaalsContact C-N 3.28Å; V168-N170 PolarHBondContact O-N 2.86Å; V168-S171 PolarHBondContact O-N 3.37Å; V168-S171 PolarHBondContact O-OG 3.48Å; V168-V178 HydrophobicContact CG2-CG2 4.26Å
169A88.5Confident93.8Very high31 Ų3164 Ų6426%0.25633%0.333SS..Hα-helixtrans-63.1-37177.500000112.2D165 T166 R172D165-A169 WeakPolarHBondContact O-CB 3.39Å; D165-A169 PolarHBondContact O-N 3.12Å; T166-A169 PolarHBondContact O-N 2.82Å; A169-R172 WeakPolarHBondContact O-CD 3.49Å; A169-R172 WeakPolarHBondContact O-CG 3.45Å; A169-R172 VanDerWaalsContact O-CZ 3.25Å; A169-R172 PolarHBondContact O-NE 2.57Å; A169-R172 PolarHBondContact O-NH1 3.44Å
170N91.7Very high93.7Very high18 Ų1864.9 Ų64.910%0.09634%0.336CS..Hα-helixtrans-84.5-16.3-179-70.8-2.4000113.5Y74 T166 R167 V168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.44Å; T166-N170 WeakPolarHBondContact O-CB 3.43Å; T166-N170 PolarHBondContact O-N 3.37Å; R167-N170 PolarHBondContact O-N 3.37Å; V168-N170 VanDerWaalsContact C-N 3.28Å; V168-N170 PolarHBondContact O-N 2.86Å; N170-R172 PolarHBondContact O-N 3.41Å; N170-R172 VanDerWaalsContact O-N 3.07Å; N170-F173 HydrophobicContact CB-CD2 4.38Å; N170-F173 WeakPolarHBondContact O-CB 3.28Å; N170-F173 WeakPolarHBondContact O-CD2 3.26Å; N170-F173 PolarHBondContact O-N 3.26Å; N170-F174 WeakPolarHBondContact O-CD2 3.36Å; N170-V181 HydrophobicContact CB-CG1 4.2Å
171S94.6Very high93.7Very high14 Ų1462.8 Ų62.810%0.09833%0.327CS..Hα-helixtrans-59.3-24.5179.674.20000112.9R167 V168 F173 F174 N176R167-S171 PolarHBondContact O-N 2.76Å; V168-S171 PolarHBondContact O-N 3.37Å; V168-S171 PolarHBondContact O-OG 3.48Å; S171-F173 PolarHBondContact O-N 3.28Å; S171-F174 CarbonylContact O-C 3.27Å; S171-F174 VanDerWaalsContact O-C 3.27Å; S171-F174 WeakPolarHBondContact O-CA 3.3Å; S171-F174 PolarHBondContact O-N 3.48Å; S171-N176 WeakPolarHBondContact O-CA 3.48Å; S171-N176 PolarHBondContact O-N 3.03Å
172R92.6Very high93.7Very high129 Ų12959.7 Ų59.749%0.48731%0.309SS..THydrogen-bonded Turntrans-55.1-22172.172.7-176.4175-120-4.6114.3A169 N170 N176A169-R172 WeakPolarHBondContact O-CD 3.49Å; A169-R172 WeakPolarHBondContact O-CG 3.45Å; A169-R172 VanDerWaalsContact O-CZ 3.25Å; A169-R172 PolarHBondContact O-NE 2.57Å; A169-R172 PolarHBondContact O-NH1 3.44Å; N170-R172 PolarHBondContact O-N 3.41Å; N170-R172 VanDerWaalsContact O-N 3.07Å; R172-N176 WeakPolarHBondContact CA-OD1 3.46Å
173F92Very high93.8Very high69 Ų6965.4 Ų65.430%0.30333%0.333SS..THydrogen-bonded Turntrans-90.7-17.5175.2-55.5-60.8000112.4E83 N170 S171E83-F173 HydrophobicContact CG-CB 4.35Å; E83-F173 VanDerWaalsContact CG-O 3.31Å; E83-F173 WeakPolarHBondContact CG-O 3.18Å; N170-F173 HydrophobicContact CB-CD2 4.38Å; N170-F173 WeakPolarHBondContact O-CB 3.28Å; N170-F173 WeakPolarHBondContact O-CD2 3.26Å; N170-F173 PolarHBondContact O-N 3.26Å; S171-F173 PolarHBondContact O-N 3.28Å
174F95.1Very high94.2Very high5 Ų568.2 Ų68.22%0.02234%0.339CS..THydrogen-bonded Turntrans-116.258.3-176.9-62-95.9000110.7Y74 L77 H81 E83 N170 S171 N176 D177 Q180 V181Y74-F174 HydrophobicContact CD2-CZ 4.31Å; Y74-F174 HydrophobicContact CE2-CE2 4.09Å; Y74-F174 AromaticContact CE2-CZ 3.77Å; Y74-F174 HydrophobicContact CE2-CZ 3.77Å; L77-F174 HydrophobicContact CD1-CE1 4.26Å; L77-F174 HydrophobicContact CD2-CE1 4.19Å; L77-F174 HydrophobicContact CD2-CZ 4.24Å; H81-F174 AromaticContact CE1-CE1 3.92Å; E83-F174 HydrophobicContact CB-CD1 4.49Å; E83-F174 HydrophobicContact CB-CE1 3.87Å; E83-F174 HydrophobicContact CB-CE2 4.28Å; E83-F174 HydrophobicContact CB-CZ 3.74Å; N170-F174 WeakPolarHBondContact O-CD2 3.36Å; S171-F174 CarbonylContact O-C 3.27Å; S171-F174 VanDerWaalsContact O-C 3.27Å; S171-F174 WeakPolarHBondContact O-CA 3.3Å; S171-F174 PolarHBondContact O-N 3.48Å; F174-N176 PolarHBondContact O-N 2.93Å; F174-D177 PolarHBondContact O-N 3.01Å; F174-Q180 HydrophobicContact CB-CB 3.8Å; F174-Q180 HydrophobicContact CD1-CB 4.26Å; F174-Q180 HydrophobicContact CG-CB 4.4Å; F174-V181 HydrophobicContact CB-CG2 4.16Å; F174-V181 HydrophobicContact CD2-CB 4.46Å; F174-V181 HydrophobicContact CD2-CG2 3.73Å; F174-V181 HydrophobicContact CE2-CG1 4.4Å; F174-V181 HydrophobicContact CE2-CG2 4.39Å; F174-V181 HydrophobicContact CG-CG2 4.08Å
175D95.3Very high94.4Very high131 Ų13162.4 Ų62.470%0.70131%0.312SS*.THydrogen-bonded Turntrans54.924.1179.5-56.4-44.9000115.4D177 Q180D175-D177 PolarHBondContact O-N 3.39Å; D175-Q180 PolarHBondContact OD2-NE2 2.77Å
176N94Very high94.9Very high123 Ų12356.9 Ų56.966%0.65828%0.283SS*.THydrogen-bonded Turntrans60.919.6-171.2-56-79.1000114.2S171 R172 F174S171-N176 WeakPolarHBondContact O-CA 3.48Å; S171-N176 PolarHBondContact O-N 3.03Å; R172-N176 WeakPolarHBondContact CA-OD1 3.46Å; F174-N176 PolarHBondContact O-N 2.93Å
177D97Very high95.3Very high59 Ų5956.6 Ų56.632%0.31628%0.281SS..  trans-102.7110.6174.7-176.24.3000111.2F174 D175 N179 Q180F174-D177 PolarHBondContact O-N 3.01Å; D175-D177 PolarHBondContact O-N 3.39Å; D177-N179 PolarHBondContact O-N 2.95Å; D177-N179 VanDerWaalsContact O-N 3.15Å; D177-N179 VanDerWaalsContact OD1-CB 3.32Å; D177-N179 WeakPolarHBondContact OD1-CB 3.26Å; D177-N179 PolarHBondContact OD1-N 3.24Å; D177-N179 PolarHBondContact OD1-ND2 2.78Å; D177-Q180 HydrophobicContact CB-CG 4.09Å; D177-Q180 PolarHBondContact O-N 3.39Å; D177-Q180 VanDerWaalsContact O-N 3.15Å
178V96.1Very high95.5Very high35 Ų3555 Ų5521%0.21228%0.275CS..G310 helixtrans-60-25.4177.772.40000112.6R167 V168 Q180 V181R167-V178 HydrophobicContact CB-CG2 3.8Å; R167-V178 PolarHBondContact NH2-O 3.02Å; V168-V178 HydrophobicContact CG2-CG2 4.26Å; V178-Q180 VanDerWaalsContact C-N 3.29Å; V178-Q180 PolarHBondContact O-N 3.4Å; V178-V181 PolarHBondContact O-N 3.11Å
179N96.8Very high95.8Very high128 Ų12851.6 Ų51.668%0.68425%0.254SS*.G310 helixtrans-72.7-23.5-179.1-60.5-60.6000113.1D177 V181D177-N179 PolarHBondContact O-N 2.95Å; D177-N179 VanDerWaalsContact O-N 3.15Å; D177-N179 VanDerWaalsContact OD1-CB 3.32Å; D177-N179 WeakPolarHBondContact OD1-CB 3.26Å; D177-N179 PolarHBondContact OD1-N 3.24Å; D177-N179 PolarHBondContact OD1-ND2 2.78Å; N179-V181 VanDerWaalsContact C-N 3.32Å
180Q96.3Very high96.3Very high86 Ų8650.3 Ų50.340%0.40224%0.243SC..G310 helixtrans-79-19173.8-65.7-165.861.600112.4F174 D175 D177 V178 P182F174-Q180 HydrophobicContact CB-CB 3.8Å; F174-Q180 HydrophobicContact CD1-CB 4.26Å; F174-Q180 HydrophobicContact CG-CB 4.4Å; D175-Q180 PolarHBondContact OD2-NE2 2.77Å; D177-Q180 HydrophobicContact CB-CG 4.09Å; D177-Q180 PolarHBondContact O-N 3.39Å; D177-Q180 VanDerWaalsContact O-N 3.15Å; V178-Q180 VanDerWaalsContact C-N 3.29Å; V178-Q180 PolarHBondContact O-N 3.4Å; Q180-P182 WeakPolarHBondContact O-CD 3.1Å
181V96.5Very high96.6Very high3 Ų349.9 Ų49.92%0.01824%0.243CC..SBendtrans-74.6123.5178.7-170.50000110R167 N170 F174 V178 N179R167-V181 HydrophobicContact CB-CB 4.32Å; R167-V181 HydrophobicContact CB-CG1 4.14Å; R167-V181 HydrophobicContact CG-CB 4.44Å; R167-V181 HydrophobicContact CG-CG1 3.99Å; R167-V181 PolarHBondContact NE-O 2.96Å; R167-V181 PolarHBondContact NH2-O 3.29Å; R167-V181 VanDerWaalsContact NH2-O 3.14Å; N170-V181 HydrophobicContact CB-CG1 4.2Å; F174-V181 HydrophobicContact CB-CG2 4.16Å; F174-V181 HydrophobicContact CD2-CB 4.46Å; F174-V181 HydrophobicContact CD2-CG2 3.73Å; F174-V181 HydrophobicContact CE2-CG1 4.4Å; F174-V181 HydrophobicContact CE2-CG2 4.39Å; F174-V181 HydrophobicContact CG-CG2 4.08Å; V178-V181 PolarHBondContact O-N 3.11Å; N179-V181 VanDerWaalsContact C-N 3.32Å
182P97.2Very high96.8Very high16 Ų1649.3 Ų49.310%0.10424%0.239CC..  trans-51.3146176.7-29.838.3000112.5Y74 L77 Q180Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.81Å; Y74-P182 HydrophobicContact CD2-CG 4.33Å; Y74-P182 HydrophobicContact CE1-CB 4.48Å; Y74-P182 HydrophobicContact CE1-CG 4.46Å; Y74-P182 HydrophobicContact CG-CB 4.05Å; Y74-P182 HydrophobicContact CG-CG 3.72Å; L77-P182 HydrophobicContact CB-CG 4.12Å; L77-P182 HydrophobicContact CD1-CG 4.31Å; L77-P182 HydrophobicContact CD2-CG 4.44Å; Q180-P182 WeakPolarHBondContact O-CD 3.1Å
183K97Very high97.1Very high129 Ų12943.4 Ų43.456%0.56122%0.217SC*.SBendtrans-84.1-21.4-178.9-66.8-179-178.3177.20113L162L162-K183 PolarHBondContact N-O 2.83Å
184Y97.7Very high97.4Very high107 Ų10741.9 Ų41.942%0.4221%0.212SC..EExtended strand (participates in β ladder)trans-131.3152.5-176-49.1-80.9000110.2V75 I159 K160 T161V75-Y184 PolarHBondContact N-O 3.38Å; I159-Y184 HydrophobicContact CD1-CD1 4.43Å; I159-Y184 HydrophobicContact CD1-CG 4.28Å; K160-Y184 CarbonylContact O-C 3.59Å; K160-Y184 VanDerWaalsContact O-CA 3.27Å; K160-Y184 WeakPolarHBondContact O-CA 3.4Å; T161-Y184 HydrophobicContact CG2-CD1 4.24Å; T161-Y184 HydrophobicContact CG2-CE1 4.01Å; T161-Y184 WeakPolarHBondContact OG1-CE1 3.31Å
185A98.2Very high97.5Very high0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-135.5153.4169.900000109.7E73 F146 I159 K160 L162E73-A185 CarbonylContact O-C 3.6Å; E73-A185 VanDerWaalsContact O-CA 3.29Å; E73-A185 WeakPolarHBondContact O-CA 3.24Å; E73-A185 WeakPolarHBondContact O-CB 3.42Å; F146-A185 HydrophobicContact CD2-CB 3.3Å; F146-A185 HydrophobicContact CE2-CB 3.51Å; F146-A185 HydrophobicContact CG-CB 4.13Å; F146-A185 HydrophobicContact CZ-CB 4.48Å; I159-A185 CarbonylContact C-O 3.58Å; I159-A185 WeakPolarHBondContact CA-O 3.46Å; K160-A185 PolarHBondContact N-O 2.79Å; K160-A185 PolarHBondContact O-N 3.4Å; L162-A185 HydrophobicContact CD2-CB 3.96Å; L162-A185 HydrophobicContact CG-CB 4.48Å
186L98.8Very high97.7Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-86.6138.5160.7-53.1-169.3000107.4D72 E73 V75 L107 N108 I114 E117 I159D72-L186 CarbonylContact C-O 3.3Å; D72-L186 WeakPolarHBondContact CA-O 3.36Å; D72-L186 WeakPolarHBondContact CB-O 3.47Å; E73-L186 PolarHBondContact N-O 3.07Å; E73-L186 PolarHBondContact O-N 2.94Å; V75-L186 HydrophobicContact CG2-CD2 3.55Å; V75-L186 HydrophobicContact CG2-CG 3.81Å; L107-L186 HydrophobicContact CB-CB 4.08Å; L107-L186 HydrophobicContact CB-CD1 4.37Å; L107-L186 HydrophobicContact CD1-CB 3.86Å; L107-L186 HydrophobicContact CD2-CB 4.22Å; L107-L186 HydrophobicContact CD2-CD1 4.34Å; L107-L186 HydrophobicContact CG-CB 4.28Å; N108-L186 WeakPolarHBondContact O-CD1 3.41Å; I114-L186 HydrophobicContact CD1-CD1 4.14Å; I114-L186 HydrophobicContact CD1-CD2 4.25Å; I114-L186 HydrophobicContact CG2-CD1 4.33Å; I114-L186 HydrophobicContact CG2-CD2 3.26Å; I114-L186 HydrophobicContact CG2-CG 4.42Å; E117-L186 HydrophobicContact CG-CD1 3.87Å; I159-L186 HydrophobicContact CB-CD2 3.92Å; I159-L186 HydrophobicContact CG1-CD2 4.13Å
187T98.8Very high97.9Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-149.3142.2-177-1700000111.3M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.51Å; M71-T187 WeakPolarHBondContact O-CA 3.33Å; A145-T187 VanDerWaalsContact CB-OG1 3.24Å; A145-T187 WeakPolarHBondContact CB-OG1 3.39Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 2.83Å; T157-T187 CarbonylContact C-O 3.47Å; T157-T187 WeakPolarHBondContact CA-O 3.19Å; R158-T187 PolarHBondContact N-O 2.9Å; R158-T187 PolarHBondContact O-N 2.91Å; K160-T187 HydrophobicContact CB-CG2 3.95Å
188V98.8Very high98Very high1 Ų135.3 Ų35.31%0.00617%0.174CC..  trans-59.4144167.6-62.30000109.9M71 Y121 F134 A145 N147 T192M71-V188 HydrophobicContact CB-CG2 4.19Å; M71-V188 HydrophobicContact CG-CG2 4.28Å; M71-V188 PolarHBondContact O-N 2.95Å; Y121-V188 HydrophobicContact CD1-CG1 4.4Å; Y121-V188 HydrophobicContact CE1-CG1 4.04Å; F134-V188 HydrophobicContact CE2-CG2 4.36Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; A145-V188 HydrophobicContact CB-CG2 4.08Å; N147-V188 PolarHBondContact ND2-O 2.85Å; V188-T192 HydrophobicContact CB-CG2 4.01Å; V188-T192 HydrophobicContact CG1-CG2 4.21Å
189G98.7Very high98.1Very high0 Ų033.6 Ų33.60%016%0.164CC..  trans-78.8167.4179.800000113.1S155 R156 G191 T192 L193S155-G189 CarbonylContact O-C 3.56Å; S155-G189 VanDerWaalsContact O-CA 3.29Å; S155-G189 WeakPolarHBondContact O-CA 3.05Å; R156-G189 WeakPolarHBondContact O-CA 3.28Å; G189-G191 VanDerWaalsContact C-N 3.27Å; G189-G191 PolarHBondContact O-N 2.92Å; G189-T192 PolarHBondContact N-OG1 3.11Å; G189-T192 WeakPolarHBondContact O-CB 3.35Å; G189-T192 PolarHBondContact O-N 2.99Å; G189-T192 VanDerWaalsContact O-N 3.15Å; G189-L193 PolarHBondContact O-N 2.94Å
190V98.6Very high98.2Very high3 Ų327.5 Ų27.52%0.01813%0.132CC..Hα-helixtrans-59.7-41172.2-178.30000110.6N147 L153 S155 L193 L194 T225 C228N147-V190 HydrophobicContact CB-CG2 3.61Å; L153-V190 HydrophobicContact CD2-CG1 4.38Å; L153-V190 VanDerWaalsContact O-CG1 3.27Å; L153-V190 WeakPolarHBondContact O-CG1 3.4Å; S155-V190 PolarHBondContact O-N 2.7Å; S155-V190 PolarHBondContact OG-N 3.48Å; V190-L193 WeakPolarHBondContact O-CB 3.34Å; V190-L193 PolarHBondContact O-N 3.2Å; V190-L194 HydrophobicContact CG1-CD1 4.12Å; V190-L194 HydrophobicContact CG1-CG 4.47Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 3.49Å; V190-T225 HydrophobicContact CG2-CG2 4.45Å; V190-C228 HydrophobicContact CG1-CB 3.6Å; V190-C228 VanDerWaalsContact CG1-SG 3.59Å
191G98.5Very high98.4Very high9 Ų923.4 Ų23.49%0.09311%0.112CC..Hα-helixtrans-65.7-38.2174.800000112.4S155 R156 G189 L193 L194 D195S155-G191 WeakPolarHBondContact O-CA 3.36Å; S155-G191 PolarHBondContact O-N 3.17Å; R156-G191 PolarHBondContact NH1-O 3.03Å; G189-G191 VanDerWaalsContact C-N 3.27Å; G189-G191 PolarHBondContact O-N 2.92Å; G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 3.48Å; G191-L194 PolarHBondContact O-N 3.01Å; G191-D195 VanDerWaalsContact O-CG 3.25Å; G191-D195 PolarHBondContact O-N 3.37Å
192T98.7Very high98.5Very high3 Ų323.3 Ų23.32%0.01811%0.112CC..Hα-helixtrans-61-41.5175.3-39.50000111.4E122 I125 T157 V188 G189E122-T192 PolarHBondContact OE1-OG1 2.91Å; I125-T192 HydrophobicContact CD1-CG2 3.91Å; T157-T192 PolarHBondContact N-OG1 3.09Å; V188-T192 HydrophobicContact CB-CG2 4.01Å; V188-T192 HydrophobicContact CG1-CG2 4.21Å; G189-T192 PolarHBondContact N-OG1 3.11Å; G189-T192 WeakPolarHBondContact O-CB 3.35Å; G189-T192 PolarHBondContact O-N 2.99Å; G189-T192 VanDerWaalsContact O-N 3.15Å
193L98.3Very high98.5Very high4 Ų422.6 Ų22.62%0.02111%0.107CC..Hα-helixtrans-64.2-45.8173.9-175.780.4000111.7M71 F134 I144 G189 V190 G191 D195 A196 V199 L229M71-L193 HydrophobicContact CE-CD1 3.69Å; F134-L193 HydrophobicContact CB-CD1 4.09Å; F134-L193 HydrophobicContact CD1-CD1 4.02Å; F134-L193 HydrophobicContact CD2-CD1 3.8Å; F134-L193 HydrophobicContact CE2-CD1 4.27Å; F134-L193 HydrophobicContact CG-CD1 3.68Å; I144-L193 HydrophobicContact CB-CD2 4.23Å; I144-L193 HydrophobicContact CD1-CD2 3.69Å; I144-L193 HydrophobicContact CG2-CD1 4.36Å; I144-L193 HydrophobicContact CG2-CD2 3.66Å; G189-L193 PolarHBondContact O-N 2.94Å; V190-L193 WeakPolarHBondContact O-CB 3.34Å; V190-L193 PolarHBondContact O-N 3.2Å; G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 3.48Å; L193-D195 PolarHBondContact O-N 3.25Å; L193-A196 VanDerWaalsContact O-CB 3.31Å; L193-A196 WeakPolarHBondContact O-CB 3.04Å; L193-A196 PolarHBondContact O-N 3.46Å; L193-V199 HydrophobicContact CD1-CG1 4.07Å; L193-V199 HydrophobicContact CD2-CG1 4.14Å; L193-V199 HydrophobicContact CG-CG1 4.07Å; L193-V199 HydrophobicContact CG-CG2 4.23Å; L193-V199 WeakPolarHBondContact O-CG2 3.49Å; L193-L229 HydrophobicContact CD2-CD2 4.45Å
194L98.3Very high98.6Very high38 Ų3817.7 Ų17.720%0.1999%0.087CC..Hα-helixtrans-69.9-15.1-178.3-70.7175.9000114.1V190 G191 A196 C228 H232V190-L194 HydrophobicContact CG1-CD1 4.12Å; V190-L194 HydrophobicContact CG1-CG 4.47Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 3.49Å; G191-L194 PolarHBondContact O-N 3.01Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-C228 HydrophobicContact CD1-CB 4.21Å; L194-H232 HydrophobicContact CD2-CB 3.74Å; L194-H232 PolarHBondContact O-CD2 2.83Å; L194-H232 VanDerWaalsContact O-CD2 3.27Å; L194-H232 PolarHBondContact O-NE2 3.05Å
195D98.6Very high98.6Very high79 Ų7913.7 Ų13.742%0.4228%0.078SC..THydrogen-bonded Turntrans-75.6-15.6174.5-74.7-20.7000113.1R156 G191 L193R156-D195 IonicContact CZ-OD2 3.47Å; R156-D195 IonicContact NH1-OD1 2.84Å; R156-D195 IonicContact NH1-OD2 3.78Å; R156-D195 PolarHBondContact NH1-OD2 2.81Å; R156-D195 IonicContact NH2-OD2 2.7Å; R156-D195 PolarHBondContact NH2-OD2 2.86Å; G191-D195 VanDerWaalsContact O-CG 3.25Å; G191-D195 PolarHBondContact O-N 3.37Å; L193-D195 PolarHBondContact O-N 3.25Å
196A98.8Very high98.6Very high4 Ų417.5 Ų17.53%0.03311%0.105CC..SBendtrans-61.615717700000111.8I131 F134 L193 L194 V199 H232I131-A196 HydrophobicContact CB-CB 4.05Å; I131-A196 HydrophobicContact CG2-CB 4.21Å; I131-A196 CarbonylContact O-C 3.55Å; I131-A196 VanDerWaalsContact O-CA 3.27Å; I131-A196 WeakPolarHBondContact O-CA 3.39Å; F134-A196 HydrophobicContact CB-CB 3.94Å; F134-A196 HydrophobicContact CD2-CB 4.46Å; L193-A196 VanDerWaalsContact O-CB 3.31Å; L193-A196 WeakPolarHBondContact O-CB 3.04Å; L193-A196 PolarHBondContact O-N 3.46Å; L194-A196 VanDerWaalsContact C-N 3.27Å; A196-V199 HydrophobicContact CB-CG2 4.07Å; A196-H232 PolarHBondContact O-CE1 2.7Å; A196-H232 PolarHBondContact O-NE2 3.34Å
197E98.8Very high98.4Very high85 Ų8524 Ų2440%0.39714%0.135SC..SBendtrans-74.7-34.3176.2-61-171.5172.200112.3K130 I131 H132 K234K130-E197 HydrophobicContact CB-CG 4.06Å; K130-E197 HydrophobicContact CD-CG 3.88Å; I131-E197 PolarHBondContact O-N 3.07Å; H132-E197 IonicContact CD2-OE1 3.78Å; H132-E197 IonicContact CD2-OE2 3.94Å; E197-K234 WeakPolarHBondContact O-CB 3.41Å; E197-K234 WeakPolarHBondContact O-CD 3.41Å
198E98.9Very high98.3Very high11 Ų1125.2 Ų25.25%0.05114%0.14CC..  trans-142.2138177.3-173.8173.5-153.900109.5H19 R23 H132 L133 F134 K234 I236H19-E198 IonicContact CE1-OE1 3.53Å; H19-E198 PolarHBondContact CE1-OE1 2.82Å; H19-E198 VanDerWaalsContact CE1-OE1 3.31Å; H19-E198 IonicContact NE2-OE1 2.78Å; H19-E198 PolarHBondContact NE2-OE1 2.91Å; H19-E198 IonicContact NE2-OE2 3.61Å; H19-E198 PolarHBondContact NE2-OE2 3.21Å; R23-E198 IonicContact CZ-OE1 3.91Å; R23-E198 IonicContact CZ-OE2 3.45Å; R23-E198 IonicContact NE-OE1 3.48Å; R23-E198 IonicContact NE-OE2 3.05Å; R23-E198 PolarHBondContact NE-OE2 3.1Å; R23-E198 IonicContact NH2-OE1 3.89Å; R23-E198 PolarHBondContact NH2-OE1 3.41Å; R23-E198 IonicContact NH2-OE2 2.75Å; R23-E198 PolarHBondContact NH2-OE2 3.37Å; H132-E198 PolarHBondContact O-N 3.35Å; L133-E198 CarbonylContact C-O 3.53Å; L133-E198 WeakPolarHBondContact CA-O 3.41Å; L133-E198 HydrophobicContact CD1-CB 3.98Å; L133-E198 HydrophobicContact CD1-CG 3.77Å; F134-E198 PolarHBondContact N-O 2.82Å; E198-K234 WeakPolarHBondContact CA-O 3.38Å; E198-K234 HydrophobicContact CB-CB 4.32Å; E198-K234 HydrophobicContact CG-CB 4.27Å; E198-I236 WeakPolarHBondContact OE1-CD1 3.33Å
199V98.8Very high98.3Very high0 Ų025.4 Ų25.40%014%0.142CC..EExtended strand (participates in β ladder)trans-120.9128.5176.3-178.80000108.8F134 L193 A196 I201 L229 K234 A235 I236F134-V199 WeakPolarHBondContact O-CA 3.43Å; L193-V199 HydrophobicContact CD1-CG1 4.07Å; L193-V199 HydrophobicContact CD2-CG1 4.14Å; L193-V199 HydrophobicContact CG-CG1 4.07Å; L193-V199 HydrophobicContact CG-CG2 4.23Å; L193-V199 WeakPolarHBondContact O-CG2 3.49Å; A196-V199 HydrophobicContact CB-CG2 4.07Å; V199-I201 HydrophobicContact CG1-CD1 3.95Å; V199-I201 HydrophobicContact CG1-CG1 4.22Å; V199-L229 HydrophobicContact CB-CD2 4.17Å; V199-L229 HydrophobicContact CG1-CD2 3.62Å; V199-K234 PolarHBondContact N-O 2.9Å; V199-A235 CarbonylContact O-C 3.58Å; V199-A235 WeakPolarHBondContact O-CA 3.33Å; V199-I236 PolarHBondContact O-N 2.92Å
200M98.8Very high98.3Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-122.3113.6179-179.4175.368.900110.1W15 A16 H19 I20 L133 F134 M135 G136 L202 I236 V238W15-M200 HydrophobicContact CE3-SD 4.34Å; W15-M200 HydrophobicContact CZ3-SD 3.74Å; A16-M200 HydrophobicContact CB-CE 3.79Å; A16-M200 HydrophobicContact CB-SD 4.11Å; H19-M200 HydrophobicContact CB-SD 4.37Å; I20-M200 HydrophobicContact CD1-CE 3.83Å; I20-M200 HydrophobicContact CG1-CE 3.87Å; L133-M200 HydrophobicContact CD1-CB 4.03Å; F134-M200 PolarHBondContact O-N 3.12Å; M135-M200 CarbonylContact C-O 3.55Å; M135-M200 VanDerWaalsContact CA-O 3.24Å; M135-M200 WeakPolarHBondContact CA-O 3.25Å; M135-M200 HydrophobicContact CB-CE 4.11Å; M135-M200 HydrophobicContact CG-CE 3.79Å; M135-M200 HydrophobicContact SD-CE 3.7Å; G136-M200 PolarHBondContact N-O 3.45Å; M200-L202 HydrophobicContact CE-CD2 4.49Å; M200-L202 HydrophobicContact CG-CD2 4.32Å; M200-I236 CarbonylContact C-O 3.53Å; M200-I236 VanDerWaalsContact CA-O 3.3Å; M200-I236 WeakPolarHBondContact CA-O 3.48Å; M200-I236 HydrophobicContact CG-CB 4.46Å; M200-V238 HydrophobicContact CG-CG2 4.02Å; M200-V238 HydrophobicContact SD-CG2 4.2Å
201I98.8Very high98.3Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-105.5128.9177.4-58.2-51.5000110.7G136 V138 I144 V199 V203 I226 L229 I236 M237 V238G136-I201 WeakPolarHBondContact O-CA 3.24Å; V138-I201 HydrophobicContact CB-CG2 4.17Å; I144-I201 HydrophobicContact CD1-CD1 4.15Å; I144-I201 HydrophobicContact CD1-CG1 4.16Å; I144-I201 HydrophobicContact CG1-CD1 4.46Å; I144-I201 HydrophobicContact CG2-CD1 3.95Å; V199-I201 HydrophobicContact CG1-CD1 3.95Å; V199-I201 HydrophobicContact CG1-CG1 4.22Å; I201-V203 HydrophobicContact CG2-CG2 3.98Å; I201-I226 HydrophobicContact CG2-CD1 4.01Å; I201-L229 HydrophobicContact CB-CD1 4.23Å; I201-L229 HydrophobicContact CG1-CD1 3.57Å; I201-L229 HydrophobicContact CG1-CD2 4.33Å; I201-L229 HydrophobicContact CG1-CG 4.5Å; I201-I236 PolarHBondContact N-O 3Å; I201-M237 HydrophobicContact CB-CG 4.31Å; I201-M237 CarbonylContact O-C 3.57Å; I201-M237 WeakPolarHBondContact O-CA 3.37Å; I201-V238 PolarHBondContact O-N 3.39Å
202L98.8Very high98.3Very high1 Ų129 Ų291%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-93.3130.2174.9-51.1-175.2000109.9V12 A16 T44 T48 M135 G136 M200 V238V12-L202 HydrophobicContact CG1-CB 4.44Å; V12-L202 HydrophobicContact CG1-CD2 4.12Å; A16-L202 HydrophobicContact CB-CD1 4.37Å; A16-L202 HydrophobicContact CB-CD2 3.66Å; T44-L202 HydrophobicContact CG2-CB 3.52Å; T44-L202 HydrophobicContact CG2-CD1 4.49Å; T48-L202 WeakPolarHBondContact OG1-CD1 3.4Å; M135-L202 HydrophobicContact CG-CD1 4.38Å; M135-L202 HydrophobicContact CG-CG 4.36Å; M135-L202 HydrophobicContact SD-CD1 3.88Å; M135-L202 HydrophobicContact SD-CG 4.4Å; G136-L202 PolarHBondContact O-N 3.45Å; M200-L202 HydrophobicContact CE-CD2 4.49Å; M200-L202 HydrophobicContact CG-CD2 4.32Å; L202-V238 WeakPolarHBondContact CA-O 3.45Å; L202-V238 HydrophobicContact CD2-CB 3.94Å; L202-V238 HydrophobicContact CD2-CG2 4.13Å
203V98.6Very high98.3Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-130.2109.3-175.4-167.60000109.7V138 I201 K208 L212 V238 C239 D240 S243V138-V203 HydrophobicContact CG1-CB 4.23Å; V138-V203 HydrophobicContact CG1-CG1 3.75Å; V138-V203 HydrophobicContact CG1-CG2 3.81Å; I201-V203 HydrophobicContact CG2-CG2 3.98Å; V203-K208 HydrophobicContact CG1-CB 3.61Å; V203-K208 HydrophobicContact CG1-CG 4.41Å; V203-L212 HydrophobicContact CB-CD1 4.37Å; V203-L212 HydrophobicContact CG1-CB 4.16Å; V203-L212 HydrophobicContact CG1-CD1 4.3Å; V203-L212 HydrophobicContact CG2-CD1 4.14Å; V203-V238 PolarHBondContact N-O 3.11Å; V203-C239 HydrophobicContact CB-CB 4.05Å; V203-C239 WeakPolarHBondContact O-CA 3.47Å; V203-D240 PolarHBondContact O-N 2.92Å; V203-D240 VanDerWaalsContact O-N 3.17Å; V203-S243 PolarHBondContact O-OG 3.07Å
204L98.2Very high98.3Very high27 Ų2732.2 Ų32.214%0.14118%0.175CC..  trans-127.4134.9-172.5-63.7-178.8000111.9A9 V12 T44 K208 D240A9-L204 HydrophobicContact CB-CD1 3.87Å; A9-L204 HydrophobicContact CB-CD2 3.97Å; A9-L204 HydrophobicContact CB-CG 4.48Å; V12-L204 HydrophobicContact CB-CD2 3.75Å; V12-L204 HydrophobicContact CG1-CD2 3.79Å; V12-L204 HydrophobicContact CG1-CG 4.41Å; V12-L204 HydrophobicContact CG2-CD2 3.65Å; T44-L204 HydrophobicContact CG2-CB 4.37Å; T44-L204 HydrophobicContact CG2-CD1 3.82Å; T44-L204 HydrophobicContact CG2-CG 3.93Å; L204-K208 WeakPolarHBondContact O-CG 3.47Å; L204-D240 WeakPolarHBondContact CA-OD1 3.2Å; L204-D240 HydrophobicContact CD2-CB 3.66Å
205G97.6Very high98.3Very high23 Ų2330.4 Ų30.424%0.23717%0.165CC..SBendtrans86.7153.8172.800000114.5Q207 K208 D240 S243G205-Q207 PolarHBondContact O-N 2.94Å; G205-K208 PolarHBondContact O-N 3.5Å; G205-D240 VanDerWaalsContact N-CG 3.34Å; G205-D240 PolarHBondContact N-OD1 3.19Å; G205-D240 PolarHBondContact N-OD2 3.37Å; G205-S243 WeakPolarHBondContact O-CA 3.46Å; G205-S243 WeakPolarHBondContact O-CB 3.46Å
206S97.7Very high98.3Very high79 Ų7927.8 Ų27.855%0.55215%0.152SC*.G310 helixtrans-60.8-26.4-178.855.80000114.4K208 A209 P242S206-K208 PolarHBondContact O-N 3.14Å; S206-K208 VanDerWaalsContact O-N 3.07Å; S206-A209 WeakPolarHBondContact O-CB 3.34Å; S206-A209 PolarHBondContact O-N 3.17Å; S206-A209 VanDerWaalsContact O-N 3.07Å; S206-P242 VanDerWaalsContact CA-O 3.25Å; S206-P242 WeakPolarHBondContact CA-O 3.2Å
207Q95.1Very high98.3Very high136 Ų13630 Ų3064%0.63616%0.162SC*.G310 helixtrans-61.3-17.2174.7-62-17924.700113.1G205G205-Q207 PolarHBondContact O-N 2.94Å
208K97.3Very high98.3Very high27 Ų2727.3 Ų27.312%0.11716%0.157CC..G310 helixtrans-100.21.7179.2-51.4-56.4177.165.30113.5V138 N140 V203 L204 G205 S206 L210 A211 L212V138-K208 HydrophobicContact CG1-CB 4.48Å; V138-K208 HydrophobicContact CG1-CD 4.45Å; V138-K208 WeakPolarHBondContact O-CE 3.48Å; V138-K208 PolarHBondContact O-NZ 3.24Å; N140-K208 VanDerWaalsContact OD1-CD 3.27Å; N140-K208 WeakPolarHBondContact OD1-CD 3.37Å; N140-K208 WeakPolarHBondContact OD1-CE 3.37Å; V203-K208 HydrophobicContact CG1-CB 3.61Å; V203-K208 HydrophobicContact CG1-CG 4.41Å; L204-K208 WeakPolarHBondContact O-CG 3.47Å; G205-K208 PolarHBondContact O-N 3.5Å; S206-K208 PolarHBondContact O-N 3.14Å; S206-K208 VanDerWaalsContact O-N 3.07Å; K208-L210 PolarHBondContact O-N 2.9Å; K208-A211 WeakPolarHBondContact O-CB 3.5Å; K208-A211 PolarHBondContact O-N 3.01Å; K208-A211 VanDerWaalsContact O-N 3.15Å; K208-L212 PolarHBondContact O-N 3.47Å
209A98.6Very high98.3Very high4 Ų431.7 Ų31.73%0.03319%0.188CC..Hα-helixtrans-64-39.6-171.500000113.4S206 L212 Q213 S243 M245 E246S206-A209 WeakPolarHBondContact O-CB 3.34Å; S206-A209 PolarHBondContact O-N 3.17Å; S206-A209 VanDerWaalsContact O-N 3.07Å; A209-L212 PolarHBondContact O-N 3.09Å; A209-Q213 WeakPolarHBondContact O-CB 3.36Å; A209-Q213 PolarHBondContact O-N 3.15Å; A209-S243 VanDerWaalsContact CA-O 3.23Å; A209-S243 WeakPolarHBondContact CA-O 3.23Å; A209-S243 WeakPolarHBondContact CB-O 3.43Å; A209-M245 HydrophobicContact CB-CB 4.21Å; A209-E246 HydrophobicContact CB-CB 4.07Å; A209-E246 HydrophobicContact CB-CG 3.61Å
210L98.4Very high98.3Very high89 Ų8934.2 Ų34.247%0.46620%0.203SC..Hα-helixtrans-64.4-41.4173.7-69.8172.2000112.2K208 L212 Q213 A214 W224 E246K208-L210 PolarHBondContact O-N 2.9Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.48Å; L210-Q213 PolarHBondContact O-N 3.24Å; L210-A214 WeakPolarHBondContact O-CB 3.07Å; L210-A214 PolarHBondContact O-N 3.41Å; L210-W224 HydrophobicContact CB-CH2 3.98Å; L210-W224 HydrophobicContact CB-CZ3 4.4Å; L210-E246 HydrophobicContact CD2-CG 3.94Å; L210-E246 HydrophobicContact CG-CG 4.26Å
211A98.1Very high98.3Very high0 Ų036.5 Ų36.50%022%0.215CC..Hα-helixtrans-63.1-41.217600000111.8V138 K208 A214 A215 W224V138-A211 HydrophobicContact CG2-CB 3.99Å; K208-A211 WeakPolarHBondContact O-CB 3.5Å; K208-A211 PolarHBondContact O-N 3.01Å; K208-A211 VanDerWaalsContact O-N 3.15Å; A211-A214 PolarHBondContact O-N 2.9Å; A211-A215 WeakPolarHBondContact O-CB 3.16Å; A211-A215 PolarHBondContact O-N 3.49Å; A211-W224 HydrophobicContact CB-CE3 4.32Å; A211-W224 HydrophobicContact CB-CZ3 4.06Å
212L98.8Very high98.3Very high0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-65.7-42.6175.8-170.560.8000111.7L3 V203 K208 A209 L210 A214 A215 V216 M237 C239 S243 T244 L247L3-L212 HydrophobicContact CD1-CD1 3.99Å; V203-L212 HydrophobicContact CB-CD1 4.37Å; V203-L212 HydrophobicContact CG1-CB 4.16Å; V203-L212 HydrophobicContact CG1-CD1 4.3Å; V203-L212 HydrophobicContact CG2-CD1 4.14Å; K208-L212 PolarHBondContact O-N 3.47Å; A209-L212 PolarHBondContact O-N 3.09Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.48Å; L212-A214 PolarHBondContact O-N 3.49Å; L212-A215 PolarHBondContact O-N 2.91Å; L212-V216 HydrophobicContact CD1-CG2 3.95Å; L212-V216 HydrophobicContact CG-CG2 4.3Å; L212-V216 WeakPolarHBondContact O-CB 3.43Å; L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 2.91Å; L212-M237 HydrophobicContact CD1-SD 3.99Å; L212-C239 HydrophobicContact CD2-CB 3.92Å; L212-S243 VanDerWaalsContact CD2-O 3.23Å; L212-S243 WeakPolarHBondContact CD2-O 3.4Å; L212-T244 HydrophobicContact CD2-CG2 4.08Å; L212-L247 HydrophobicContact CD2-CD1 3.87Å; L212-L247 HydrophobicContact CD2-CG 4.42Å; L212-L247 HydrophobicContact CG-CD1 4.21Å; L212-L247 HydrophobicContact CG-CD2 4.44Å
213Q98.8Very high98.2Very high64 Ų6445.2 Ų45.230%0.29926%0.257SS..Hα-helixtrans-59.2-46.4174.7-174.4-164.760.900111.3A209 L210 A215 V216 E217 G218 E246 L247A209-Q213 WeakPolarHBondContact O-CB 3.36Å; A209-Q213 PolarHBondContact O-N 3.15Å; L210-Q213 PolarHBondContact O-N 3.24Å; Q213-A215 VanDerWaalsContact C-N 3.29Å; Q213-A215 PolarHBondContact O-N 3.35Å; Q213-V216 PolarHBondContact O-N 3.46Å; Q213-E217 HydrophobicContact CG-CB 4.41Å; Q213-E217 WeakPolarHBondContact O-CA 3.35Å; Q213-E217 PolarHBondContact O-N 2.85Å; Q213-G218 PolarHBondContact O-N 2.89Å; Q213-G218 VanDerWaalsContact O-N 3.12Å; Q213-E246 HydrophobicContact CB-CB 3.94Å; Q213-E246 HydrophobicContact CG-CB 4.37Å; Q213-E246 PolarHBondContact NE2-O 3.26Å; Q213-L247 HydrophobicContact CB-CD2 4.19Å
214A98.7Very high98.2Very high9 Ų948.9 Ų48.97%0.07427%0.271CS..Hα-helixtrans-61.6-36.917700000112.5L210 A211 L212 G218 W224L210-A214 WeakPolarHBondContact O-CB 3.07Å; L210-A214 PolarHBondContact O-N 3.41Å; A211-A214 PolarHBondContact O-N 2.9Å; L212-A214 PolarHBondContact O-N 3.49Å; A214-G218 WeakPolarHBondContact O-CA 3.33Å; A214-G218 PolarHBondContact O-N 3.33Å; A214-W224 HydrophobicContact CB-CB 3.76Å; A214-W224 HydrophobicContact CB-CD2 3.46Å; A214-W224 VanDerWaalsContact CB-CD2 3.46Å; A214-W224 HydrophobicContact CB-CE3 3.74Å; A214-W224 HydrophobicContact CB-CG 3.46Å; A214-W224 VanDerWaalsContact CB-CG 3.46Å
215A98.6Very high98.2Very high1 Ų147.6 Ų47.61%0.00826%0.264CS..Hα-helixtrans-69.5-42.117800000113.3A211 L212 Q213 I226 Q230 M237A211-A215 WeakPolarHBondContact O-CB 3.16Å; A211-A215 PolarHBondContact O-N 3.49Å; L212-A215 PolarHBondContact O-N 2.91Å; Q213-A215 VanDerWaalsContact C-N 3.29Å; Q213-A215 PolarHBondContact O-N 3.35Å; A215-I226 HydrophobicContact CB-CB 4.37Å; A215-I226 HydrophobicContact CB-CD1 3.85Å; A215-I226 HydrophobicContact CB-CG1 3.68Å; A215-I226 HydrophobicContact CB-CG2 3.88Å; A215-Q230 PolarHBondContact O-NE2 3.2Å; A215-M237 HydrophobicContact CB-CE 4.03Å; A215-M237 HydrophobicContact CB-SD 3.63Å
216V98.7Very high98.3Very high24 Ų2446.5 Ų46.515%0.14525%0.253CS..Hα-helixtrans-94.6-44.1-170.5178.40000112.8L3 L212 Q213 M237 L247 T251 F255L3-V216 HydrophobicContact CD1-CG2 4.24Å; L3-V216 HydrophobicContact CD2-CG2 4.32Å; L212-V216 HydrophobicContact CD1-CG2 3.95Å; L212-V216 HydrophobicContact CG-CG2 4.3Å; L212-V216 WeakPolarHBondContact O-CB 3.43Å; L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 2.91Å; Q213-V216 PolarHBondContact O-N 3.46Å; V216-M237 HydrophobicContact CG2-CE 3.53Å; V216-M237 HydrophobicContact CG2-SD 4.32Å; V216-L247 HydrophobicContact CB-CD2 4.17Å; V216-L247 HydrophobicContact CG1-CD2 4.49Å; V216-T251 HydrophobicContact CG1-CG2 3.62Å; V216-F255 HydrophobicContact CG1-CE2 3.74Å; V216-F255 HydrophobicContact CG1-CZ 4.38Å
217E98.8Very high98.3Very high49 Ų4942.8 Ų42.823%0.22923%0.227CC..THydrogen-bonded Turntrans-108.5-16.5-173.8-57.1-168.7165.700113.4Q213 L247 K248 T251Q213-E217 HydrophobicContact CG-CB 4.41Å; Q213-E217 WeakPolarHBondContact O-CA 3.35Å; Q213-E217 PolarHBondContact O-N 2.85Å; E217-L247 HydrophobicContact CG-CD2 4.1Å; E217-K248 WeakPolarHBondContact OE1-CB 3.33Å; E217-K248 PolarHBondContact OE1-N 3.14Å; E217-K248 IonicContact OE2-NZ 3.31Å; E217-K248 PolarHBondContact OE2-NZ 3.23Å; E217-T251 HydrophobicContact CG-CG2 4.13Å; E217-T251 WeakPolarHBondContact OE1-CB 3.24Å; E217-T251 PolarHBondContact OE1-OG1 2.94Å
218G98.6Very high98.5Very high29 Ų2936.3 Ų36.330%0.29920%0.197SC..SBendtrans-78.2172.3178.400000113.7Q213 A214 Q230Q213-G218 PolarHBondContact O-N 2.89Å; Q213-G218 VanDerWaalsContact O-N 3.12Å; A214-G218 WeakPolarHBondContact O-CA 3.33Å; A214-G218 PolarHBondContact O-N 3.33Å; G218-Q230 PolarHBondContact O-NE2 3.15Å
219C98.5Very high98.5Very high103 Ų10335.1 Ų35.170%0.69619%0.192SC*.PPolyproline II helixtrans-91.3154.5169.9-65.80000110.8N221C219-N221 PolarHBondContact O-N 2.85Å; C219-N221 PolarHBondContact O-ND2 3.1Å
220V98.8Very high98.5Very high54 Ų5438.4 Ų38.433%0.32721%0.206SC..PPolyproline II helixtrans-54.8122.3172.3-179.50000110.6L153 Q230 L231L153-V220 HydrophobicContact CD1-CG1 3.61Å; V220-Q230 HydrophobicContact CG2-CB 3.92Å; V220-L231 HydrophobicContact CG1-CD1 4.13Å; V220-L231 HydrophobicContact CG1-CG 4.41Å; V220-L231 HydrophobicContact CG2-CD2 4.08Å; V220-L231 HydrophobicContact CG2-CG 4.24Å
221N98.6Very high98.5Very high48 Ų4839.4 Ų39.426%0.25721%0.211SC..  trans-156.5157178.173.486.1000111.6C219 M223 W224 S227C219-N221 PolarHBondContact O-N 2.85Å; C219-N221 PolarHBondContact O-ND2 3.1Å; N221-M223 VanDerWaalsContact C-N 3.34Å; N221-M223 PolarHBondContact O-N 2.65Å; N221-M223 WeakPolarHBondContact OD1-CA 3.44Å; N221-M223 WeakPolarHBondContact OD1-CB 3.27Å; N221-M223 PolarHBondContact OD1-N 3.17Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 PolarHBondContact OD1-N 2.84Å; N221-S227 PolarHBondContact N-OG 3.03Å; N221-S227 PolarHBondContact O-OG 2.97Å
222H98.3Very high98.6Very high91 Ų9140 Ų4042%0.42121%0.214SC..SBendtrans-81-7.1-179.270.3167.1000115.1A150 S151 L153A150-H222 WeakPolarHBondContact CA-O 3.43Å; A150-H222 PolarHBondContact N-O 3.39Å; S151-H222 WeakPolarHBondContact O-CB 3.28Å; L153-H222 HydrophobicContact CD2-CB 4.44Å; L153-H222 HydrophobicContact CG-CB 4.26Å
223M98.1Very high98.5Very high93 Ų9345.7 Ų45.746%0.45825%0.251SS..SBendtrans-80.8-30.5176.8-63.6-54.9-6800111.3P149 A150 N221P149-M223 HydrophobicContact CB-CE 3.8Å; P149-M223 WeakPolarHBondContact CB-O 3.46Å; P149-M223 HydrophobicContact CB-SD 4.28Å; P149-M223 WeakPolarHBondContact CG-O 3.36Å; A150-M223 HydrophobicContact CB-SD 4.08Å; N221-M223 VanDerWaalsContact C-N 3.34Å; N221-M223 PolarHBondContact O-N 2.65Å; N221-M223 WeakPolarHBondContact OD1-CA 3.44Å; N221-M223 WeakPolarHBondContact OD1-CB 3.27Å; N221-M223 PolarHBondContact OD1-N 3.17Å
224W98.2Very high98.5Very high76 Ų7648.5 Ų48.529%0.28826%0.262SS..SBendtrans-117.182.6172.7-59.892.9000108.2L210 A211 A214 N221 I226 S227L210-W224 HydrophobicContact CB-CH2 3.98Å; L210-W224 HydrophobicContact CB-CZ3 4.4Å; A211-W224 HydrophobicContact CB-CE3 4.32Å; A211-W224 HydrophobicContact CB-CZ3 4.06Å; A214-W224 HydrophobicContact CB-CB 3.76Å; A214-W224 HydrophobicContact CB-CD2 3.46Å; A214-W224 VanDerWaalsContact CB-CD2 3.46Å; A214-W224 HydrophobicContact CB-CE3 3.74Å; A214-W224 HydrophobicContact CB-CG 3.46Å; A214-W224 VanDerWaalsContact CB-CG 3.46Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 PolarHBondContact OD1-N 2.84Å; W224-I226 PolarHBondContact O-N 3.38Å; W224-I226 VanDerWaalsContact O-N 3.09Å; W224-S227 VanDerWaalsContact O-CB 3.24Å; W224-S227 WeakPolarHBondContact O-CB 3.14Å; W224-S227 PolarHBondContact O-N 3.19Å; W224-S227 PolarHBondContact O-OG 3.45Å
225T98.5Very high98.5Very high1 Ų148.2 Ų48.21%0.00626%0.26CS..G310 helixtrans-63.2-22.1-170.658.10000113.2G142 H143 I144 N147 L153 V190 S227 C228G142-T225 PolarHBondContact O-N 3.33Å; G142-T225 PolarHBondContact O-OG1 2.9Å; H143-T225 WeakPolarHBondContact CA-OG1 3.44Å; I144-T225 PolarHBondContact N-OG1 3Å; N147-T225 HydrophobicContact CB-CG2 4.43Å; N147-T225 WeakPolarHBondContact O-CB 3.32Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.71Å; L153-T225 HydrophobicContact CD2-CG2 4.46Å; V190-T225 HydrophobicContact CG2-CG2 4.45Å; T225-S227 PolarHBondContact O-N 3.01Å; T225-S227 VanDerWaalsContact O-N 3.17Å; T225-C228 WeakPolarHBondContact O-CB 3.19Å; T225-C228 PolarHBondContact O-N 2.92Å; T225-C228 PolarHBondContact O-SG 2.89Å
226I98.5Very high98.5Very high0 Ų048.3 Ų48.30%026%0.26CS..G310 helixtrans-55.6-26.3167.9-171.9166.9000114.3V138 G142 I144 I201 A215 W224 C228 L229 M237V138-I226 HydrophobicContact CB-CD1 3.8Å; V138-I226 HydrophobicContact CG1-CD1 4.27Å; V138-I226 HydrophobicContact CG2-CB 4.04Å; V138-I226 HydrophobicContact CG2-CD1 3.52Å; V138-I226 HydrophobicContact CG2-CG1 4.32Å; V138-I226 HydrophobicContact CG2-CG2 4.23Å; G142-I226 WeakPolarHBondContact O-CB 3.25Å; G142-I226 WeakPolarHBondContact O-CG2 3.07Å; G142-I226 PolarHBondContact O-N 3.42Å; I144-I226 HydrophobicContact CD1-CB 4.08Å; I144-I226 HydrophobicContact CD1-CG1 4.05Å; I144-I226 HydrophobicContact CG1-CB 3.99Å; I144-I226 HydrophobicContact CG1-CG1 4.26Å; I201-I226 HydrophobicContact CG2-CD1 4.01Å; A215-I226 HydrophobicContact CB-CB 4.37Å; A215-I226 HydrophobicContact CB-CD1 3.85Å; A215-I226 HydrophobicContact CB-CG1 3.68Å; A215-I226 HydrophobicContact CB-CG2 3.88Å; W224-I226 PolarHBondContact O-N 3.38Å; W224-I226 VanDerWaalsContact O-N 3.09Å; I226-C228 PolarHBondContact O-N 3.33Å; I226-C228 VanDerWaalsContact O-N 3.08Å; I226-L229 HydrophobicContact CG1-CD1 3.92Å; I226-L229 HydrophobicContact CG1-CG 4.45Å; I226-L229 WeakPolarHBondContact O-CB 3.16Å; I226-L229 WeakPolarHBondContact O-CG 3.29Å; I226-L229 PolarHBondContact O-N 3.45Å; I226-L229 VanDerWaalsContact O-N 3.12Å; I226-M237 HydrophobicContact CD1-SD 4.18Å
227S98.7Very high98.5Very high0 Ų047.2 Ų47.20%025%0.254CS..G310 helixtrans-62.1-16.5174.969.20000112.8N221 W224 T225 L229 Q230N221-S227 PolarHBondContact N-OG 3.03Å; N221-S227 PolarHBondContact O-OG 2.97Å; W224-S227 VanDerWaalsContact O-CB 3.24Å; W224-S227 WeakPolarHBondContact O-CB 3.14Å; W224-S227 PolarHBondContact O-N 3.19Å; W224-S227 PolarHBondContact O-OG 3.45Å; T225-S227 PolarHBondContact O-N 3.01Å; T225-S227 VanDerWaalsContact O-N 3.17Å; S227-L229 PolarHBondContact O-N 2.58Å; S227-L229 VanDerWaalsContact O-N 3.16Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 WeakPolarHBondContact O-CG 3.28Å; S227-Q230 PolarHBondContact O-N 2.6Å
228C98.3Very high98.5Very high1 Ų144.9 Ų44.91%0.00724%0.243CC..G310 helixtrans-58.8-25.2173.680.50000113.1L153 V190 L194 T225 I226 Q230 L231L153-C228 HydrophobicContact CD2-CB 4.21Å; V190-C228 HydrophobicContact CG1-CB 3.6Å; V190-C228 VanDerWaalsContact CG1-SG 3.59Å; L194-C228 HydrophobicContact CD1-CB 4.21Å; T225-C228 WeakPolarHBondContact O-CB 3.19Å; T225-C228 PolarHBondContact O-N 2.92Å; T225-C228 PolarHBondContact O-SG 2.89Å; I226-C228 PolarHBondContact O-N 3.33Å; I226-C228 VanDerWaalsContact O-N 3.08Å; C228-Q230 PolarHBondContact O-N 2.93Å; C228-Q230 VanDerWaalsContact O-N 3.13Å; C228-L231 VanDerWaalsContact O-CB 3.3Å; C228-L231 WeakPolarHBondContact O-CB 3.43Å; C228-L231 PolarHBondContact O-N 2.83Å
229L98.5Very high98.5Very high2 Ų243.5 Ų43.51%0.0123%0.229CC..G310 helixtrans-62.2-21.4179.5-64.1-178.5000112.8I144 L193 V199 I201 I226 S227 L231 H232 A235 M237I144-L229 HydrophobicContact CD1-CD1 4.38Å; I144-L229 HydrophobicContact CD1-CD2 4.13Å; I144-L229 HydrophobicContact CD1-CG 4.11Å; L193-L229 HydrophobicContact CD2-CD2 4.45Å; V199-L229 HydrophobicContact CB-CD2 4.17Å; V199-L229 HydrophobicContact CG1-CD2 3.62Å; I201-L229 HydrophobicContact CB-CD1 4.23Å; I201-L229 HydrophobicContact CG1-CD1 3.57Å; I201-L229 HydrophobicContact CG1-CD2 4.33Å; I201-L229 HydrophobicContact CG1-CG 4.5Å; I226-L229 HydrophobicContact CG1-CD1 3.92Å; I226-L229 HydrophobicContact CG1-CG 4.45Å; I226-L229 WeakPolarHBondContact O-CB 3.16Å; I226-L229 WeakPolarHBondContact O-CG 3.29Å; I226-L229 PolarHBondContact O-N 3.45Å; I226-L229 VanDerWaalsContact O-N 3.12Å; S227-L229 PolarHBondContact O-N 2.58Å; S227-L229 VanDerWaalsContact O-N 3.16Å; L229-L231 PolarHBondContact O-N 2.82Å; L229-H232 PolarHBondContact O-N 2.7Å; L229-H232 VanDerWaalsContact O-N 3.14Å; L229-A235 HydrophobicContact CB-CB 3.93Å; L229-A235 HydrophobicContact CD2-CB 4.35Å; L229-M237 HydrophobicContact CD1-CG 4Å; L229-M237 HydrophobicContact CD1-SD 4.17Å
230Q98.7Very high98.5Very high72 Ų7239.1 Ų39.134%0.33620%0.198SC..G310 helixtrans-63.5-23.1172.5-61.9-179.916.300112.3M1 A215 G218 V220 S227 C228M1-Q230 HydrophobicContact CE-CB 4.41Å; M1-Q230 HydrophobicContact CE-CG 3.61Å; A215-Q230 PolarHBondContact O-NE2 3.2Å; G218-Q230 PolarHBondContact O-NE2 3.15Å; V220-Q230 HydrophobicContact CG2-CB 3.92Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 WeakPolarHBondContact O-CG 3.28Å; S227-Q230 PolarHBondContact O-N 2.6Å; C228-Q230 PolarHBondContact O-N 2.93Å; C228-Q230 VanDerWaalsContact O-N 3.13Å
231L98.4Very high98.5Very high110 Ų11042.1 Ų42.158%0.57621%0.209SC*.G310 helixtrans-88-11.1176.9-54.2178.5000112.9V220 C228 L229V220-L231 HydrophobicContact CG1-CD1 4.13Å; V220-L231 HydrophobicContact CG1-CG 4.41Å; V220-L231 HydrophobicContact CG2-CD2 4.08Å; V220-L231 HydrophobicContact CG2-CG 4.24Å; C228-L231 VanDerWaalsContact O-CB 3.3Å; C228-L231 WeakPolarHBondContact O-CB 3.43Å; C228-L231 PolarHBondContact O-N 2.83Å; L229-L231 PolarHBondContact O-N 2.82Å
232H98.7Very high98.5Very high14 Ų1442.4 Ų42.47%0.06521%0.213CC..  trans-87.6134.4-173.8-164.4-98.1000111.9L194 A196 L229 K234 A235L194-H232 HydrophobicContact CD2-CB 3.74Å; L194-H232 PolarHBondContact O-CD2 2.83Å; L194-H232 VanDerWaalsContact O-CD2 3.27Å; L194-H232 PolarHBondContact O-NE2 3.05Å; A196-H232 PolarHBondContact O-CE1 2.7Å; A196-H232 PolarHBondContact O-NE2 3.34Å; L229-H232 PolarHBondContact O-N 2.7Å; L229-H232 VanDerWaalsContact O-N 3.14Å; H232-K234 VanDerWaalsContact C-N 3.26Å; H232-K234 PolarHBondContact CE1-O 2.75Å; H232-K234 PolarHBondContact ND1-N 3.01Å; H232-K234 VanDerWaalsContact ND1-N 3.18Å; H232-K234 PolarHBondContact ND1-O 3.4Å; H232-K234 PolarHBondContact O-N 3.07Å; H232-A235 HydrophobicContact CB-CB 4.15Å
233P98.3Very high98.5Very high119 Ų11938 Ų3877%0.77319%0.193SC*.THydrogen-bonded Turntrans-66.3-25.6-177.426.1-35.7000113.7
234K98.6Very high98.5Very high122 Ų12234.2 Ų34.253%0.5318%0.175SC..THydrogen-bonded Turntrans-138.673.5179.8-65.3-176.6-176.9169.90111.4E197 E198 V199 H232E197-K234 WeakPolarHBondContact O-CB 3.41Å; E197-K234 WeakPolarHBondContact O-CD 3.41Å; E198-K234 WeakPolarHBondContact CA-O 3.38Å; E198-K234 HydrophobicContact CB-CB 4.32Å; E198-K234 HydrophobicContact CG-CB 4.27Å; V199-K234 PolarHBondContact N-O 2.9Å; H232-K234 VanDerWaalsContact C-N 3.26Å; H232-K234 PolarHBondContact CE1-O 2.75Å; H232-K234 PolarHBondContact ND1-N 3.01Å; H232-K234 VanDerWaalsContact ND1-N 3.18Å; H232-K234 PolarHBondContact ND1-O 3.4Å; H232-K234 PolarHBondContact O-N 3.07Å
235A98.7Very high98.5Very high3 Ų337.1 Ų37.13%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-100135.7172.500000111.6M1 R2 V199 L229 H232M1-A235 CarbonylContact C-O 3.49Å; M1-A235 VanDerWaalsContact CA-O 3.26Å; M1-A235 WeakPolarHBondContact CA-O 3.26Å; M1-A235 HydrophobicContact CB-CB 4.24Å; R2-A235 PolarHBondContact N-O 3.18Å; V199-A235 CarbonylContact O-C 3.58Å; V199-A235 WeakPolarHBondContact O-CA 3.33Å; L229-A235 HydrophobicContact CB-CB 3.93Å; L229-A235 HydrophobicContact CD2-CB 4.35Å; H232-A235 HydrophobicContact CB-CB 4.15Å
236I98.7Very high98.5Very high4 Ų441.4 Ų41.42%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-123.4131.5172.5-54.4-174.1000108.3R2 I4 W15 E198 V199 M200 I201 V238R2-I236 HydrophobicContact CB-CG1 4.34Å; R2-I236 HydrophobicContact CB-CG2 4.43Å; R2-I236 CarbonylContact O-C 3.58Å; R2-I236 WeakPolarHBondContact O-CA 3.37Å; I4-I236 HydrophobicContact CD1-CG2 4.42Å; I4-I236 HydrophobicContact CG1-CG2 3.82Å; W15-I236 HydrophobicContact CH2-CD1 4.1Å; W15-I236 HydrophobicContact CH2-CG2 3.79Å; W15-I236 HydrophobicContact CZ3-CG2 4.01Å; E198-I236 WeakPolarHBondContact OE1-CD1 3.33Å; V199-I236 PolarHBondContact O-N 2.92Å; M200-I236 CarbonylContact C-O 3.53Å; M200-I236 VanDerWaalsContact CA-O 3.3Å; M200-I236 WeakPolarHBondContact CA-O 3.48Å; M200-I236 HydrophobicContact CG-CB 4.46Å; I201-I236 PolarHBondContact N-O 3Å; I236-V238 HydrophobicContact CG2-CG2 3.89Å
237M98.6Very high98.5Very high1 Ų142.3 Ų42.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-111.9131.1165-75-177.4-78.200108.8M1 R2 L3 I4 I201 L212 A215 V216 I226 L229M1-M237 HydrophobicContact CE-CE 3.96Å; M1-M237 HydrophobicContact SD-CE 3.21Å; M1-M237 WeakPolarHBondContact SD-CE 3.37Å; R2-M237 PolarHBondContact O-N 3.23Å; L3-M237 CarbonylContact C-O 3.58Å; L3-M237 WeakPolarHBondContact CA-O 2.88Å; L3-M237 HydrophobicContact CD1-CB 3.64Å; I4-M237 PolarHBondContact N-O 3.15Å; I201-M237 HydrophobicContact CB-CG 4.31Å; I201-M237 CarbonylContact O-C 3.57Å; I201-M237 WeakPolarHBondContact O-CA 3.37Å; L212-M237 HydrophobicContact CD1-SD 3.99Å; A215-M237 HydrophobicContact CB-CE 4.03Å; A215-M237 HydrophobicContact CB-SD 3.63Å; V216-M237 HydrophobicContact CG2-CE 3.53Å; V216-M237 HydrophobicContact CG2-SD 4.32Å; I226-M237 HydrophobicContact CD1-SD 4.18Å; L229-M237 HydrophobicContact CD1-CG 4Å; L229-M237 HydrophobicContact CD1-SD 4.17Å
238V98.7Very high98.5Very high0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-118.5117.1179-165.90000107I4 L6 V12 W15 M200 I201 L202 V203 I236I4-V238 HydrophobicContact CB-CB 4.42Å; I4-V238 HydrophobicContact CB-CG1 4.07Å; I4-V238 HydrophobicContact CB-CG2 4.4Å; I4-V238 HydrophobicContact CG1-CG2 4.22Å; I4-V238 HydrophobicContact CG2-CG1 4.33Å; L6-V238 HydrophobicContact CD1-CG1 3.82Å; V12-V238 HydrophobicContact CB-CG1 4.25Å; V12-V238 HydrophobicContact CG1-CB 4.17Å; V12-V238 HydrophobicContact CG1-CG1 3.8Å; V12-V238 HydrophobicContact CG2-CG1 4.22Å; W15-V238 HydrophobicContact CB-CG1 4.4Å; W15-V238 HydrophobicContact CD2-CG1 4.25Å; W15-V238 HydrophobicContact CD2-CG2 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.33Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.44Å; W15-V238 VanDerWaalsContact CE3-CG2 3.44Å; W15-V238 HydrophobicContact CG-CG1 4.46Å; W15-V238 HydrophobicContact CH2-CG2 4.32Å; W15-V238 HydrophobicContact CZ3-CG2 3.39Å; M200-V238 HydrophobicContact CG-CG2 4.02Å; M200-V238 HydrophobicContact SD-CG2 4.2Å; I201-V238 PolarHBondContact O-N 3.39Å; L202-V238 WeakPolarHBondContact CA-O 3.45Å; L202-V238 HydrophobicContact CD2-CB 3.94Å; L202-V238 HydrophobicContact CD2-CG2 4.13Å; V203-V238 PolarHBondContact N-O 3.11Å; I236-V238 HydrophobicContact CG2-CG2 3.89Å
239C98.7Very high98.6Very high0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-131.5149.1-167.173.80000112.7L3 I4 L6 V203 L212 S243L3-C239 HydrophobicContact CD1-CB 4.46Å; I4-C239 PolarHBondContact O-N 2.79Å; L6-C239 PolarHBondContact N-O 3.07Å; V203-C239 HydrophobicContact CB-CB 4.05Å; V203-C239 WeakPolarHBondContact O-CA 3.47Å; L212-C239 HydrophobicContact CD2-CB 3.92Å; C239-S243 WeakPolarHBondContact CB-OG 3.15Å
240D98.3Very high98.6Very high11 Ų1160.9 Ų60.96%0.05931%0.309CS..  trans-88.2163.6170.369.4-1.4000111.3L6 V12 V203 L204 G205 S243L6-D240 CarbonylContact O-C 3.57Å; L6-D240 VanDerWaalsContact O-C 3.3Å; L6-D240 WeakPolarHBondContact O-CA 3.49Å; V12-D240 HydrophobicContact CG2-CB 4.22Å; V203-D240 PolarHBondContact O-N 2.92Å; V203-D240 VanDerWaalsContact O-N 3.17Å; L204-D240 WeakPolarHBondContact CA-OD1 3.2Å; L204-D240 HydrophobicContact CD2-CB 3.66Å; G205-D240 VanDerWaalsContact N-CG 3.34Å; G205-D240 PolarHBondContact N-OD1 3.19Å; G205-D240 PolarHBondContact N-OD2 3.37Å; D240-S243 PolarHBondContact N-OG 3.33Å; D240-S243 PolarHBondContact O-N 3.11Å; D240-S243 VanDerWaalsContact O-N 3.16Å; D240-S243 PolarHBondContact O-OG 3.01Å; D240-S243 VanDerWaalsContact OD1-CB 3.24Å; D240-S243 WeakPolarHBondContact OD1-CB 3.43Å; D240-S243 PolarHBondContact OD1-N 2.72Å; D240-S243 PolarHBondContact OD1-OG 3.16Å; D240-S243 VanDerWaalsContact OD1-OG 3.11Å
241E98.2Very high98.6Very high117 Ų11758.6 Ų58.655%0.54730%0.3SS..G310 helixtrans-56.8-46.3-179.2174.4-178.5-157.500112.4L6 T7 S243 T244L6-E241 PolarHBondContact O-N 3.37Å; T7-E241 PolarHBondContact O-N 2.91Å; E241-S243 PolarHBondContact O-N 3.15Å; E241-S243 VanDerWaalsContact O-N 3.15Å; E241-T244 WeakPolarHBondContact O-CB 3.46Å; E241-T244 PolarHBondContact O-N 3.4Å; E241-T244 PolarHBondContact O-OG1 2.92Å
242P98.6Very high98.5Very high53 Ų5355.5 Ų55.534%0.34428%0.284SS..G310 helixtrans-54.3-34.6176.8-29.736000114.7S206 T244 M245S206-P242 VanDerWaalsContact CA-O 3.25Å; S206-P242 WeakPolarHBondContact CA-O 3.2Å; P242-T244 PolarHBondContact O-N 2.79Å; P242-M245 WeakPolarHBondContact O-CG 3.5Å
243S98.7Very high98.5Very high0 Ų062.7 Ų62.70%031%0.31CS..G310 helixtrans-73.7-8.7177.9700000114.1V203 G205 A209 L212 C239 D240 E241V203-S243 PolarHBondContact O-OG 3.07Å; G205-S243 WeakPolarHBondContact O-CA 3.46Å; G205-S243 WeakPolarHBondContact O-CB 3.46Å; A209-S243 VanDerWaalsContact CA-O 3.23Å; A209-S243 WeakPolarHBondContact CA-O 3.23Å; A209-S243 WeakPolarHBondContact CB-O 3.43Å; L212-S243 VanDerWaalsContact CD2-O 3.23Å; L212-S243 WeakPolarHBondContact CD2-O 3.4Å; C239-S243 WeakPolarHBondContact CB-OG 3.15Å; D240-S243 PolarHBondContact N-OG 3.33Å; D240-S243 PolarHBondContact O-N 3.11Å; D240-S243 VanDerWaalsContact O-N 3.16Å; D240-S243 PolarHBondContact O-OG 3.01Å; D240-S243 VanDerWaalsContact OD1-CB 3.24Å; D240-S243 WeakPolarHBondContact OD1-CB 3.43Å; D240-S243 PolarHBondContact OD1-N 2.72Å; D240-S243 PolarHBondContact OD1-OG 3.16Å; D240-S243 VanDerWaalsContact OD1-OG 3.11Å; E241-S243 PolarHBondContact O-N 3.15Å; E241-S243 VanDerWaalsContact O-N 3.15Å
244T98.6Very high98.5Very high13 Ų1363.6 Ų63.68%0.0830%0.299CS..G310 helixtrans-92.91-178.668.80000114.5L212 E241 P242 E246 L247 L252L212-T244 HydrophobicContact CD2-CG2 4.08Å; E241-T244 WeakPolarHBondContact O-CB 3.46Å; E241-T244 PolarHBondContact O-N 3.4Å; E241-T244 PolarHBondContact O-OG1 2.92Å; P242-T244 PolarHBondContact O-N 2.79Å; T244-E246 PolarHBondContact O-N 3.06Å; T244-L247 HydrophobicContact CG2-CD1 4.2Å; T244-L247 WeakPolarHBondContact O-CB 3.43Å; T244-L247 PolarHBondContact O-N 2.71Å; T244-L252 HydrophobicContact CG2-CD1 4.27Å
245M98.2Very high98.5Very high137 Ų13758.7 Ų58.768%0.67528%0.278SS*.THydrogen-bonded Turntrans-59-24.9-170.5-70.4-64.7-62.100115.4A209 P242A209-M245 HydrophobicContact CB-CB 4.21Å; P242-M245 WeakPolarHBondContact O-CG 3.5Å
246E98.7Very high98.3Very high91 Ų9161.3 Ų61.343%0.42529%0.292SS..THydrogen-bonded Turntrans-97.4-3.8178.6-64.5-65.6165.700112.9A209 L210 Q213 T244A209-E246 HydrophobicContact CB-CB 4.07Å; A209-E246 HydrophobicContact CB-CG 3.61Å; L210-E246 HydrophobicContact CD2-CG 3.94Å; L210-E246 HydrophobicContact CG-CG 4.26Å; Q213-E246 HydrophobicContact CB-CB 3.94Å; Q213-E246 HydrophobicContact CG-CB 4.37Å; Q213-E246 PolarHBondContact NE2-O 3.26Å; T244-E246 PolarHBondContact O-N 3.06Å
247L98.8Very high98.2Very high18 Ų1866.7 Ų66.79%0.09432%0.317CS..SBendtrans-78.5147.8175.6-60.4-176000110.8L3 L212 Q213 V216 E217 T244L3-L247 HydrophobicContact CD2-CD1 4.13Å; L212-L247 HydrophobicContact CD2-CD1 3.87Å; L212-L247 HydrophobicContact CD2-CG 4.42Å; L212-L247 HydrophobicContact CG-CD1 4.21Å; L212-L247 HydrophobicContact CG-CD2 4.44Å; Q213-L247 HydrophobicContact CB-CD2 4.19Å; V216-L247 HydrophobicContact CB-CD2 4.17Å; V216-L247 HydrophobicContact CG1-CD2 4.49Å; E217-L247 HydrophobicContact CG-CD2 4.1Å; T244-L247 HydrophobicContact CG2-CD1 4.2Å; T244-L247 WeakPolarHBondContact O-CB 3.43Å; T244-L247 PolarHBondContact O-N 2.71Å
248K98.8Very high98.2Very high111 Ų11171.4 Ų71.448%0.48334%0.341SS..  trans-66.9142.4170.7-62.2175.6-173.774.80109.4E217 K250 T251 L252E217-K248 WeakPolarHBondContact OE1-CB 3.33Å; E217-K248 PolarHBondContact OE1-N 3.14Å; E217-K248 IonicContact OE2-NZ 3.31Å; E217-K248 PolarHBondContact OE2-NZ 3.23Å; K248-K250 HydrophobicContact CB-CG 4.03Å; K248-K250 PolarHBondContact O-N 3.14Å; K248-K250 VanDerWaalsContact O-N 3.1Å; K248-T251 WeakPolarHBondContact O-CA 3.23Å; K248-T251 VanDerWaalsContact O-CB 3.28Å; K248-T251 WeakPolarHBondContact O-CB 3.25Å; K248-T251 PolarHBondContact O-N 2.76Å; K248-L252 PolarHBondContact O-N 3.23Å; K248-L252 VanDerWaalsContact O-N 3.17Å
249V98.5Very high98.1Very high128 Ų12872 Ų7278%0.77634%0.344SS*.Hα-helixtrans-50.2-41.3174.4176.50000112T251 L252 R253V249-T251 VanDerWaalsContact C-N 3.32Å; V249-T251 PolarHBondContact O-N 3.44Å; V249-L252 PolarHBondContact O-N 3.35Å; V249-R253 WeakPolarHBondContact O-CB 3.49Å; V249-R253 PolarHBondContact O-N 2.95Å
250K98.4Very high97.9Very high155 Ų15574.1 Ų74.167%0.67436%0.362SS*.Hα-helixtrans-65.1-32.3178.267.6175.9-176.9175.60113.6K248 Y254K248-K250 HydrophobicContact CB-CG 4.03Å; K248-K250 PolarHBondContact O-N 3.14Å; K248-K250 VanDerWaalsContact O-N 3.1Å; K250-Y254 WeakPolarHBondContact O-CB 3.4Å; K250-Y254 PolarHBondContact O-N 2.82Å
251T98.6Very high97.6Very high23 Ų2380.2 Ų80.214%0.14139%0.39CS..Hα-helixtrans-69.2-47.1177.4-55.50000109.7V216 E217 K248 V249 R253 Y254 F255V216-T251 HydrophobicContact CG1-CG2 3.62Å; E217-T251 HydrophobicContact CG-CG2 4.13Å; E217-T251 WeakPolarHBondContact OE1-CB 3.24Å; E217-T251 PolarHBondContact OE1-OG1 2.94Å; K248-T251 WeakPolarHBondContact O-CA 3.23Å; K248-T251 VanDerWaalsContact O-CB 3.28Å; K248-T251 WeakPolarHBondContact O-CB 3.25Å; K248-T251 PolarHBondContact O-N 2.76Å; V249-T251 VanDerWaalsContact C-N 3.32Å; V249-T251 PolarHBondContact O-N 3.44Å; T251-R253 PolarHBondContact O-N 3.46Å; T251-Y254 WeakPolarHBondContact O-CB 3.31Å; T251-Y254 PolarHBondContact O-N 3.14Å; T251-F255 HydrophobicContact CG2-CD2 4.18Å; T251-F255 HydrophobicContact CG2-CE2 3.98Å; T251-F255 VanDerWaalsContact O-CD2 3.28Å; T251-F255 WeakPolarHBondContact O-CD2 3.39Å; T251-F255 PolarHBondContact O-N 3.1Å
252L97.6Very high97.2Very high46 Ų4678.1 Ų78.124%0.24138%0.382CS..Hα-helixtrans-62.9-43177-176.758.4000111.5P5 T244 K248 V249 Y254 F255 N256P5-L252 HydrophobicContact CB-CD1 3.47Å; P5-L252 VanDerWaalsContact CB-CD1 3.47Å; P5-L252 HydrophobicContact CG-CD1 4.04Å; T244-L252 HydrophobicContact CG2-CD1 4.27Å; K248-L252 PolarHBondContact O-N 3.23Å; K248-L252 VanDerWaalsContact O-N 3.17Å; V249-L252 PolarHBondContact O-N 3.35Å; L252-Y254 VanDerWaalsContact C-N 3.34Å; L252-Y254 PolarHBondContact O-N 3.45Å; L252-F255 PolarHBondContact O-N 3.49Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.48Å; L252-N256 PolarHBondContact O-ND2 3.07Å
253R97.5Very high96.8Very high164 Ų16477.6 Ų77.662%0.61938%0.376SS*.Hα-helixtrans-58.3-44.6175.2-176.7174.7175.4173.11112.2V249 T251 F255 N256 E257V249-R253 WeakPolarHBondContact O-CB 3.49Å; V249-R253 PolarHBondContact O-N 2.95Å; T251-R253 PolarHBondContact O-N 3.46Å; R253-F255 PolarHBondContact O-N 3.35Å; R253-N256 PolarHBondContact O-N 2.94Å; R253-E257 HydrophobicContact CG-CG 4.43Å; R253-E257 WeakPolarHBondContact CG-OE1 3.43Å; R253-E257 IonicContact CZ-OE1 3.4Å; R253-E257 IonicContact NE-OE1 3.71Å; R253-E257 PolarHBondContact NE-OE1 3.38Å; R253-E257 IonicContact NH2-OE1 3.62Å; R253-E257 PolarHBondContact NH2-OE1 3.48Å; R253-E257 WeakPolarHBondContact O-CG 3.21Å; R253-E257 PolarHBondContact O-N 2.97Å
254Y98.5Very high96.1Very high139 Ų13984.2 Ų84.255%0.54541%0.405SS..Hα-helixtrans-56.3-48.3178.5174.3-98.8000112.3K250 T251 L252 L258K250-Y254 WeakPolarHBondContact O-CB 3.4Å; K250-Y254 PolarHBondContact O-N 2.82Å; T251-Y254 WeakPolarHBondContact O-CB 3.31Å; T251-Y254 PolarHBondContact O-N 3.14Å; L252-Y254 VanDerWaalsContact C-N 3.34Å; L252-Y254 PolarHBondContact O-N 3.45Å; Y254-L258 HydrophobicContact CD1-CD1 4.06Å; Y254-L258 HydrophobicContact CE1-CD1 3.47Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.47Å; Y254-L258 HydrophobicContact CE2-CD1 4.18Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 3.45Å
255F98.3Very high95.3Very high18 Ų1887.5 Ų87.58%0.07944%0.441CS..Hα-helixtrans-75.6-34-179.5-71.1-70.5000113.5L3 P5 V216 T251 L252 R253 E257 L258 E259L3-F255 HydrophobicContact CB-CB 4.07Å; L3-F255 HydrophobicContact CB-CD1 3.61Å; L3-F255 HydrophobicContact CB-CD2 3.81Å; L3-F255 HydrophobicContact CB-CE1 3.88Å; L3-F255 HydrophobicContact CB-CE2 4.07Å; L3-F255 HydrophobicContact CB-CG 3.56Å; L3-F255 HydrophobicContact CB-CZ 4.1Å; L3-F255 HydrophobicContact CD2-CB 4.22Å; L3-F255 HydrophobicContact CD2-CD2 3.52Å; L3-F255 HydrophobicContact CD2-CE2 4.02Å; L3-F255 HydrophobicContact CD2-CG 3.96Å; L3-F255 HydrophobicContact CG-CB 4.49Å; L3-F255 HydrophobicContact CG-CD2 4.28Å; L3-F255 HydrophobicContact CG-CG 4.29Å; P5-F255 HydrophobicContact CG-CB 4.48Å; V216-F255 HydrophobicContact CG1-CE2 3.74Å; V216-F255 HydrophobicContact CG1-CZ 4.38Å; T251-F255 HydrophobicContact CG2-CD2 4.18Å; T251-F255 HydrophobicContact CG2-CE2 3.98Å; T251-F255 VanDerWaalsContact O-CD2 3.28Å; T251-F255 WeakPolarHBondContact O-CD2 3.39Å; T251-F255 PolarHBondContact O-N 3.1Å; L252-F255 PolarHBondContact O-N 3.49Å; R253-F255 PolarHBondContact O-N 3.35Å; F255-E257 VanDerWaalsContact C-N 3.32Å; F255-E257 PolarHBondContact O-N 2.84Å; F255-L258 HydrophobicContact CD1-CD1 4.45Å; F255-L258 PolarHBondContact O-N 3.35Å; F255-E259 WeakPolarHBondContact O-CB 3.35Å; F255-E259 WeakPolarHBondContact O-CG 3.47Å; F255-E259 PolarHBondContact O-N 3.15Å
256N96.2Very high94.3Very high59 Ų5983.6 Ų83.632%0.31642%0.423SS..Hα-helixtrans-58.5-44171.7-86.5-40.9000111.9P5 L252 R253 E259 A260P5-N256 WeakPolarHBondContact CG-OD1 3.36Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.48Å; L252-N256 PolarHBondContact O-ND2 3.07Å; R253-N256 PolarHBondContact O-N 2.94Å; N256-E259 PolarHBondContact O-N 2.88Å; N256-A260 WeakPolarHBondContact O-CA 3.27Å; N256-A260 PolarHBondContact O-N 3.47Å
257E96.6Very high94Very high117 Ų11783.2 Ų83.255%0.54742%0.423SS..Hα-helixtrans-65.7-39.3178.7-72.8173.9-17600111.6R253 F255R253-E257 HydrophobicContact CG-CG 4.43Å; R253-E257 WeakPolarHBondContact CG-OE1 3.43Å; R253-E257 IonicContact CZ-OE1 3.4Å; R253-E257 IonicContact NE-OE1 3.71Å; R253-E257 PolarHBondContact NE-OE1 3.38Å; R253-E257 IonicContact NH2-OE1 3.62Å; R253-E257 PolarHBondContact NH2-OE1 3.48Å; R253-E257 WeakPolarHBondContact O-CG 3.21Å; R253-E257 PolarHBondContact O-N 2.97Å; F255-E257 VanDerWaalsContact C-N 3.32Å; F255-E257 PolarHBondContact O-N 2.84Å
258L97.2Very high93.8Very high100 Ų10086.6 Ų86.652%0.52444%0.44SS..Hα-helixtrans-69.6-34.7177.5-72.4177.6000113.8Y254 F255Y254-L258 HydrophobicContact CD1-CD1 4.06Å; Y254-L258 HydrophobicContact CE1-CD1 3.47Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.47Å; Y254-L258 HydrophobicContact CE2-CD1 4.18Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 3.45Å; F255-L258 HydrophobicContact CD1-CD1 4.45Å; F255-L258 PolarHBondContact O-N 3.35Å
259E97Very high93.5Very high11 Ų1185.3 Ų85.35%0.05144%0.437CS..Hα-helixtrans-105.37.4-171.1-61.4-69168.400113.4R2 L3 I4 F255 N256 E261 N262 I263R2-E259 WeakPolarHBondContact CG-OE1 3.48Å; R2-E259 IonicContact CZ-OE1 2.67Å; R2-E259 IonicContact CZ-OE2 2.8Å; R2-E259 IonicContact NE-OE1 3.35Å; R2-E259 PolarHBondContact NE-OE1 3.21Å; R2-E259 IonicContact NE-OE2 2.7Å; R2-E259 IonicContact NH2-OE1 3.38Å; R2-E259 IonicContact NH2-OE2 3.27Å; R2-E259 PolarHBondContact NH2-OE2 3.28Å; L3-E259 WeakPolarHBondContact O-CG 3.39Å; I4-E259 HydrophobicContact CD1-CB 4.44Å; I4-E259 HydrophobicContact CD1-CG 3.76Å; I4-E259 WeakPolarHBondContact CD1-OE2 3.24Å; F255-E259 WeakPolarHBondContact O-CB 3.35Å; F255-E259 WeakPolarHBondContact O-CG 3.47Å; F255-E259 PolarHBondContact O-N 3.15Å; N256-E259 PolarHBondContact O-N 2.88Å; E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 3.02Å; E259-E261 VanDerWaalsContact O-N 3.12Å; E259-N262 WeakPolarHBondContact O-CA 3.43Å; E259-N262 WeakPolarHBondContact O-CB 3.48Å; E259-N262 PolarHBondContact O-N 2.81Å; E259-N262 WeakPolarHBondContact OE2-CB 3.12Å; E259-N262 PolarHBondContact OE2-ND2 3.15Å; E259-I263 HydrophobicContact CB-CG2 4.21Å; E259-I263 WeakPolarHBondContact O-CG1 3.35Å; E259-I263 PolarHBondContact O-N 2.95Å
260A94.1Very high93.2Very high46 Ų4682.8 Ų82.838%0.3842%0.418SS..Hα-helixtrans-49-43.2-174.600000113.9N256 I263 K264N256-A260 WeakPolarHBondContact O-CA 3.27Å; N256-A260 PolarHBondContact O-N 3.47Å; A260-I263 WeakPolarHBondContact O-CG1 3.32Å; A260-K264 PolarHBondContact O-N 2.88Å
261E91.7Very high92.9Very high139 Ų13978.3 Ų78.365%0.6540%0.401SS*.Hα-helixtrans-76.1-29.2177.4-66.3-57.3139.500112.9E259 K264E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 3.02Å; E259-E261 VanDerWaalsContact O-N 3.12Å; E261-K264 IonicContact OE2-NZ 2.65Å
262N90.1Very high92.5Very high72 Ų7281.9 Ų81.939%0.38542%0.419SS..Hα-helixtrans-78.7-25.7-179-67.2-50.5000113R2 W15 R18 E259R2-N262 PolarHBondContact NH2-ND2 3.37Å; W15-N262 PolarHBondContact NE1-O 2.85Å; R18-N262 PolarHBondContact NH2-O 3.03Å; E259-N262 WeakPolarHBondContact O-CA 3.43Å; E259-N262 WeakPolarHBondContact O-CB 3.48Å; E259-N262 PolarHBondContact O-N 2.81Å; E259-N262 WeakPolarHBondContact OE2-CB 3.12Å; E259-N262 PolarHBondContact OE2-ND2 3.15Å
263I90.2Very high92.2Very high42 Ų4284.5 Ų84.522%0.21543%0.432CS..Hα-helixtrans-90.5-10.417767.1178.8000113.1I4 L6 E259 A260 G265 L266I4-I263 HydrophobicContact CG2-CG2 3.74Å; L6-I263 HydrophobicContact CD2-CB 3.89Å; L6-I263 HydrophobicContact CD2-CG2 3.76Å; E259-I263 HydrophobicContact CB-CG2 4.21Å; E259-I263 WeakPolarHBondContact O-CG1 3.35Å; E259-I263 PolarHBondContact O-N 2.95Å; A260-I263 WeakPolarHBondContact O-CG1 3.32Å; I263-G265 PolarHBondContact O-N 2.98Å; I263-L266 WeakPolarHBondContact O-CD1 3.47Å
264K85.2Confident91.8Very high140 Ų14078.4 Ų78.461%0.60942%0.417SS*.THydrogen-bonded Turntrans-66.1132.8-177.5-160.8173.8-176175.20111.4A260 E261A260-K264 PolarHBondContact O-N 2.88Å; E261-K264 IonicContact OE2-NZ 2.65Å
265G80.3Confident91.2Very high81 Ų8173.3 Ų73.384%0.83541%0.406SS*.THydrogen-bonded Turntrans79.42417400000115.7I263I263-G265 PolarHBondContact O-N 2.98Å
266L77.4Confident90.5Very high55 Ų5578.4 Ų78.429%0.28844%0.436SS..  trans-100.90173.8-69.7155.4000113L6 Q11 K14 W15 I263L6-L266 HydrophobicContact CD2-CD1 3.72Å; Q11-L266 HydrophobicContact CB-CB 4.47Å; Q11-L266 HydrophobicContact CG-CB 4.22Å; Q11-L266 PolarHBondContact NE2-O 3.3Å; K14-L266 HydrophobicContact CB-CD2 4.36Å; W15-L266 HydrophobicContact CB-CD1 4.19Å; W15-L266 HydrophobicContact CB-CD2 4.2Å; W15-L266 VanDerWaalsContact CD1-CD1 3.47Å; W15-L266 HydrophobicContact CG-CD1 4.23Å; I263-L266 WeakPolarHBondContact O-CD1 3.47Å

Retrieved 266 of 266 residues in 854.2 ms (Link to these results)

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