A0A077ZGA6_TRITR Loading...

3-isopropylmalate dehydratase

Catalyzes the isomerization between 2-isopropylmalate and 3-isopropylmalate, via the formation of 2-isopropylmaleate.

AlphaFold DB , UniProt , Accession A0A077ZGA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 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
1M86.4Confident95.3Very high30 Ų3028.4 Ų28.415%0.14816%0.161CC..  0-74.70-59.2-53.6-66.600111.2G3 P4 E5 C229 R233M1-G3 PolarHBondContact O-N 3.49Å; M1-P4 VanDerWaalsContact O-CD 3.25Å; M1-P4 WeakPolarHBondContact O-CD 3.24Å; M1-E5 VanDerWaalsContact O-CG 3.32Å; M1-E5 WeakPolarHBondContact O-CG 3.27Å; M1-E5 PolarHBondContact O-N 3.08Å; M1-C229 HydrophobicContact CG-CB 4.08Å; M1-R233 HydrophobicContact CE-CB 4.42Å; M1-R233 HydrophobicContact CE-CG 3.34Å; M1-R233 HydrophobicContact SD-CG 3.9Å
2V93.1Very high95.4Very high91 Ų9130 Ų3055%0.55219%0.189SC*.Hα-helixtrans-62.8-45.8-171-177.60000114E5 T6V2-E5 PolarHBondContact O-N 3.43Å; V2-E5 VanDerWaalsContact O-N 3.13Å; V2-T6 HydrophobicContact CG1-CG2 4.04Å; V2-T6 PolarHBondContact O-N 3.09Å; V2-T6 PolarHBondContact O-OG1 3Å
3G95.2Very high95.5Very high14 Ų1433.4 Ų33.414%0.14420%0.199CC..Hα-helixtrans-56.6-46.7-178.600000114.2M1 T6 G7 L8 T9M1-G3 PolarHBondContact O-N 3.49Å; G3-T6 PolarHBondContact O-OG1 3.49Å; G3-G7 PolarHBondContact O-N 3.42Å; G3-L8 PolarHBondContact O-N 3.36Å; G3-T9 PolarHBondContact O-N 3.3Å; G3-T9 PolarHBondContact O-OG1 3.19Å
4P96.3Very high95.7Very high1 Ų138 Ų381%0.00623%0.228CC..Hα-helixtrans-61-44.3171.3-32.538.7000113.9M1 T6 G7 T9 F28 M108 Y133 R137M1-P4 VanDerWaalsContact O-CD 3.25Å; M1-P4 WeakPolarHBondContact O-CD 3.24Å; P4-T6 VanDerWaalsContact C-N 3.28Å; P4-T6 PolarHBondContact O-N 3.29Å; P4-G7 PolarHBondContact O-N 3.09Å; P4-T9 VanDerWaalsContact CD-OG1 3.24Å; P4-T9 WeakPolarHBondContact CD-OG1 3.19Å; P4-T9 HydrophobicContact CG-CG2 4.35Å; P4-T9 VanDerWaalsContact N-OG1 3.15Å; P4-F28 HydrophobicContact CB-CE2 3.78Å; P4-F28 HydrophobicContact CB-CZ 3.62Å; P4-F28 HydrophobicContact CG-CE2 3.83Å; P4-F28 HydrophobicContact CG-CZ 4.2Å; P4-M108 HydrophobicContact CB-SD 3.96Å; P4-M108 HydrophobicContact CG-SD 3.91Å; P4-Y133 HydrophobicContact CB-CE1 4.2Å; P4-R137 VanDerWaalsContact O-CD 3.22Å; P4-R137 WeakPolarHBondContact O-CD 3.49Å; P4-R137 PolarHBondContact O-NE 3.32Å
5E94.7Very high95.8Very high35 Ų3537.5 Ų37.516%0.16422%0.223CC..Hα-helixtrans-63.5-32.8-177.6-71.9167.2-149.600112.9M1 V2 R137 S261M1-E5 VanDerWaalsContact O-CG 3.32Å; M1-E5 WeakPolarHBondContact O-CG 3.27Å; M1-E5 PolarHBondContact O-N 3.08Å; V2-E5 PolarHBondContact O-N 3.43Å; V2-E5 VanDerWaalsContact O-N 3.13Å; E5-R137 WeakPolarHBondContact O-CD 3.42Å; E5-S261 WeakPolarHBondContact OE1-CB 3.45Å; E5-S261 PolarHBondContact OE1-OG 3.27Å; E5-S261 WeakPolarHBondContact OE2-CB 3.39Å; E5-S261 PolarHBondContact OE2-OG 2.98Å
6T95.4Very high95.9Very high25 Ų2537.6 Ų37.615%0.15322%0.224CC..Hα-helixtrans-93.5-4.6178.765.30000113.3V2 G3 P4 L8 E138 Y139V2-T6 HydrophobicContact CG1-CG2 4.04Å; V2-T6 PolarHBondContact O-N 3.09Å; V2-T6 PolarHBondContact O-OG1 3Å; G3-T6 PolarHBondContact O-OG1 3.49Å; P4-T6 VanDerWaalsContact C-N 3.28Å; P4-T6 PolarHBondContact O-N 3.29Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-E138 PolarHBondContact O-N 3.28Å; T6-Y139 WeakPolarHBondContact O-CB 3.38Å; T6-Y139 WeakPolarHBondContact O-CD2 3.46Å; T6-Y139 PolarHBondContact O-N 2.85Å
7G96.3Very high95.8Very high0 Ų039.4 Ų39.40%024%0.237CC..THydrogen-bonded Turntrans79.412.3-179.100000114.6G3 P4 T9 Q10G3-G7 PolarHBondContact O-N 3.42Å; P4-G7 PolarHBondContact O-N 3.09Å; G7-T9 VanDerWaalsContact C-N 3.29Å; G7-Q10 WeakPolarHBondContact O-CG 3.46Å; G7-Q10 PolarHBondContact O-NE2 3.32Å
8L97Very high95.8Very high85 Ų8540.3 Ų40.345%0.44526%0.257SS..  trans-68.5-32.1172.5-76.2167.6000112G3 T6 Q10 K13 Y139G3-L8 PolarHBondContact O-N 3.36Å; T6-L8 VanDerWaalsContact C-N 3.35Å; L8-Q10 PolarHBondContact O-N 3Å; L8-K13 PolarHBondContact O-NZ 3.33Å; L8-Y139 HydrophobicContact CD1-CD2 4.12Å; L8-Y139 HydrophobicContact CD1-CE2 4.42Å; L8-Y139 HydrophobicContact CD2-CD1 4.35Å; L8-Y139 HydrophobicContact CD2-CD2 3.95Å; L8-Y139 HydrophobicContact CD2-CG 3.78Å; L8-Y139 HydrophobicContact CG-CD2 3.64Å; L8-Y139 HydrophobicContact CG-CE2 4.41Å; L8-Y139 HydrophobicContact CG-CG 3.95Å
9T97.8Very high95.7Very high1 Ų142.4 Ų42.41%0.00627%0.265CS..  trans-79.1114174.6-50.50000109.4G3 P4 G7 I15 H25 F28G3-T9 PolarHBondContact O-N 3.3Å; G3-T9 PolarHBondContact O-OG1 3.19Å; P4-T9 VanDerWaalsContact CD-OG1 3.24Å; P4-T9 WeakPolarHBondContact CD-OG1 3.19Å; P4-T9 HydrophobicContact CG-CG2 4.35Å; P4-T9 VanDerWaalsContact N-OG1 3.15Å; G7-T9 VanDerWaalsContact C-N 3.29Å; T9-I15 HydrophobicContact CG2-CD1 3.92Å; T9-H25 HydrophobicContact CG2-CB 3.74Å; T9-H25 VanDerWaalsContact CG2-ND1 3.34Å; T9-H25 WeakPolarHBondContact CG2-ND1 3.5Å; T9-H25 PolarHBondContact OG1-CE1 3.33Å; T9-H25 VanDerWaalsContact OG1-CE1 3.22Å; T9-H25 PolarHBondContact OG1-ND1 3.48Å; T9-F28 HydrophobicContact CG2-CB 3.82Å; T9-F28 HydrophobicContact CG2-CD1 4.25Å; T9-F28 HydrophobicContact CG2-CD2 3.55Å; T9-F28 HydrophobicContact CG2-CE2 4.22Å; T9-F28 HydrophobicContact CG2-CG 3.59Å
10Q97.9Very high95.6Very high25 Ų2542.2 Ų42.212%0.11727%0.266CS..  trans-136.7148.9-175.6-64.3170.116.200108.6G7 L8 K13 V134 Y139 W151G7-Q10 WeakPolarHBondContact O-CG 3.46Å; G7-Q10 PolarHBondContact O-NE2 3.32Å; L8-Q10 PolarHBondContact O-N 3Å; Q10-K13 HydrophobicContact CB-CD 3.97Å; Q10-K13 HydrophobicContact CB-CG 4.26Å; Q10-K13 PolarHBondContact O-N 3.37Å; Q10-V134 HydrophobicContact CG-CG1 4.35Å; Q10-Y139 PolarHBondContact NE2-O 2.66Å; Q10-W151 HydrophobicContact CB-CZ2 3.94Å; Q10-W151 HydrophobicContact CG-CZ2 4.16Å
11P98.3Very high95.7Very high5 Ų540.6 Ų40.63%0.03226%0.255CS..THydrogen-bonded Turntrans-52.6146.1173.3-20.126.5000112.8K13 F28 P126 T130 W151 L154P11-K13 PolarHBondContact O-N 3.45Å; P11-K13 VanDerWaalsContact O-N 3.17Å; P11-F28 WeakPolarHBondContact CA-O 3.43Å; P11-F28 VanDerWaalsContact CB-O 3.26Å; P11-F28 WeakPolarHBondContact CB-O 3.37Å; P11-F28 WeakPolarHBondContact CG-O 3.27Å; P11-P126 HydrophobicContact CB-CB 3.86Å; P11-P126 HydrophobicContact CB-CG 3.91Å; P11-P126 HydrophobicContact CG-CB 3.67Å; P11-P126 HydrophobicContact CG-CG 4.26Å; P11-T130 HydrophobicContact CG-CG2 4.02Å; P11-W151 HydrophobicContact CB-CB 4.04Å; P11-W151 HydrophobicContact CB-CD2 4.09Å; P11-W151 HydrophobicContact CB-CG 3.64Å; P11-W151 HydrophobicContact CG-CB 4.12Å; P11-W151 HydrophobicContact CG-CD2 3.59Å; P11-W151 HydrophobicContact CG-CE3 4.06Å; P11-W151 HydrophobicContact CG-CG 3.65Å; P11-W151 PolarHBondContact O-NE1 3.46Å; P11-L154 HydrophobicContact CB-CD1 3.67Å
12G96.7Very high96.2Very high48 Ų4839.3 Ų39.350%0.49525%0.249SC..THydrogen-bonded Turntrans77.6-8.4176.300000115.3G29 L154G12-G29 PolarHBondContact N-O 2.95Å; G12-L154 VanDerWaalsContact N-CD1 3.32Å
13K97Very high96.4Very high74 Ų7435 Ų3532%0.32222%0.223SC..  trans-75.6145.7175.6-69.5-171179.3173.40111.9L8 Q10 P11 I15 A30 L31L8-K13 PolarHBondContact O-NZ 3.33Å; Q10-K13 HydrophobicContact CB-CD 3.97Å; Q10-K13 HydrophobicContact CB-CG 4.26Å; Q10-K13 PolarHBondContact O-N 3.37Å; P11-K13 PolarHBondContact O-N 3.45Å; P11-K13 VanDerWaalsContact O-N 3.17Å; K13-I15 HydrophobicContact CB-CD1 4.21Å; K13-I15 HydrophobicContact CB-CG1 3.94Å; K13-A30 CarbonylContact O-C 3.54Å; K13-A30 WeakPolarHBondContact O-CA 3.37Å; K13-A30 WeakPolarHBondContact O-CB 3.38Å; K13-L31 PolarHBondContact O-N 2.82Å
14T97.1Very high96.5Very high98 Ų9834.6 Ų34.660%0.60122%0.218SC*.EExtended strand (participates in β ladder)trans-88.8121160.1-58.70000109.2L31 F33T14-L31 CarbonylContact C-O 3.52Å; T14-L31 VanDerWaalsContact CA-O 3.28Å; T14-L31 WeakPolarHBondContact CA-O 3.28Å; T14-F33 HydrophobicContact CG2-CE1 4.39Å
15I97.7Very high96.6Very high30 Ų3036 Ų3615%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-124.9121-175-58175.2000109.8T9 K13 T22 H25 A30 L31 A32 F33T9-I15 HydrophobicContact CG2-CD1 3.92Å; K13-I15 HydrophobicContact CB-CD1 4.21Å; K13-I15 HydrophobicContact CB-CG1 3.94Å; I15-T22 HydrophobicContact CG2-CG2 4.25Å; I15-T22 WeakPolarHBondContact O-CG2 3.4Å; I15-H25 HydrophobicContact CD1-CB 4.15Å; I15-A30 HydrophobicContact CD1-CB 3.93Å; I15-A30 HydrophobicContact CG1-CB 4.47Å; I15-L31 PolarHBondContact N-O 3.43Å; I15-A32 HydrophobicContact CB-CB 4.05Å; I15-A32 WeakPolarHBondContact O-CA 3.38Å; I15-F33 PolarHBondContact O-N 2.88Å
16V97.2Very high96.8Very high40 Ų4034.3 Ų34.324%0.24222%0.216CC..EExtended strand (participates in β ladder)trans-126.6143.4178.5-62.10000110.9F33 I35 V43 L49V16-F33 WeakPolarHBondContact CA-O 3.39Å; V16-F33 HydrophobicContact CG1-CD1 4.43Å; V16-F33 HydrophobicContact CG1-CD2 3.82Å; V16-F33 HydrophobicContact CG1-CE1 4.05Å; V16-F33 HydrophobicContact CG1-CE2 3.41Å; V16-F33 VanDerWaalsContact CG1-CE2 3.41Å; V16-F33 HydrophobicContact CG1-CG 4.33Å; V16-F33 HydrophobicContact CG1-CZ 3.53Å; V16-I35 HydrophobicContact CB-CD1 3.79Å; V16-I35 HydrophobicContact CB-CG1 4.11Å; V16-I35 HydrophobicContact CB-CG2 4.07Å; V16-I35 HydrophobicContact CG1-CG2 4.13Å; V16-I35 HydrophobicContact CG2-CD1 3.75Å; V16-V43 HydrophobicContact CG2-CB 4.48Å; V16-V43 HydrophobicContact CG2-CG1 3.95Å; V16-V43 HydrophobicContact CG2-CG2 4.01Å; V16-L49 HydrophobicContact CG1-CD2 4.44Å
17C95.2Very high96.9Very high67 Ų6733.1 Ų33.145%0.45321%0.209SC..EExtended strand (participates in β ladder)trans-149.8158176.7-1700000110.2D19 T22 G34 I35C17-D19 PolarHBondContact O-N 3.2Å; C17-T22 HydrophobicContact CB-CG2 4.11Å; C17-T22 VanDerWaalsContact CB-OG1 3.32Å; C17-T22 WeakPolarHBondContact CB-OG1 3.45Å; C17-G34 WeakPolarHBondContact O-CA 3.19Å; C17-I35 WeakPolarHBondContact O-CG1 3.45Å; C17-I35 PolarHBondContact O-N 2.85Å
18G95.5Very high97Very high57 Ų5733.1 Ų33.159%0.58821%0.209SC*.SBendtrans-69.632.117500000114.6I35G18-I35 WeakPolarHBondContact CA-O 3.28Å
19D94.6Very high97.1Very high79 Ų7929.5 Ų29.542%0.42219%0.192SC..SBendtrans-136.6134.9-178.1176.965.7000110.4C17 H21 T22 G34C17-D19 PolarHBondContact O-N 3.2Å; D19-H21 PolarHBondContact O-N 3.45Å; D19-H21 WeakPolarHBondContact OD2-CA 3.47Å; D19-H21 VanDerWaalsContact OD2-CB 3.3Å; D19-H21 WeakPolarHBondContact OD2-CB 3.47Å; D19-H21 PolarHBondContact OD2-N 3.44Å; D19-T22 WeakPolarHBondContact O-CB 3.32Å; D19-T22 PolarHBondContact O-N 2.86Å; D19-T22 PolarHBondContact O-OG1 3.21Å; D19-G34 WeakPolarHBondContact O-CA 3.32Å
20S93.3Very high97.1Very high39 Ų3929.5 Ų29.527%0.27319%0.192SC..G310 helixtrans-63.9-27.7-177.4520000113.2T22 R312S20-T22 VanDerWaalsContact C-N 3.25Å; S20-T22 PolarHBondContact O-N 2.87Å; S20-R312 PolarHBondContact OG-NH2 3.34Å
21H96.2Very high97Very high8 Ų832 Ų324%0.03721%0.206CC..G310 helixtrans-9014.7-175.9-67.494000113.1D19 A23 T24 N112 I115 E116 N311 R312D19-H21 PolarHBondContact O-N 3.45Å; D19-H21 WeakPolarHBondContact OD2-CA 3.47Å; D19-H21 VanDerWaalsContact OD2-CB 3.3Å; D19-H21 WeakPolarHBondContact OD2-CB 3.47Å; D19-H21 PolarHBondContact OD2-N 3.44Å; H21-A23 PolarHBondContact O-N 3.39Å; H21-A23 VanDerWaalsContact O-N 3.11Å; H21-T24 VanDerWaalsContact O-CB 3.31Å; H21-T24 WeakPolarHBondContact O-CB 3.19Å; H21-T24 PolarHBondContact O-N 3.37Å; H21-T24 PolarHBondContact O-OG1 3.5Å; H21-N112 PolarHBondContact CD2-O 3Å; H21-N112 VanDerWaalsContact CD2-O 3.24Å; H21-N112 PolarHBondContact CD2-OD1 2.78Å; H21-I115 WeakPolarHBondContact NE2-CG2 3.3Å; H21-E116 IonicContact CD2-OE2 3.35Å; H21-E116 IonicContact CE1-OE1 2.99Å; H21-E116 PolarHBondContact CE1-OE1 3.46Å; H21-E116 VanDerWaalsContact CE1-OE1 3.26Å; H21-E116 VanDerWaalsContact NE2-CD 3.27Å; H21-E116 IonicContact NE2-OE1 3.99Å; H21-E116 PolarHBondContact NE2-OE1 2.95Å; H21-E116 IonicContact NE2-OE2 3.76Å; H21-E116 PolarHBondContact NE2-OE2 3.16Å; H21-N311 PolarHBondContact CD2-ND2 3.03Å; H21-N311 PolarHBondContact CE1-ND2 2.96Å; H21-N311 PolarHBondContact NE2-ND2 3.21Å; H21-R312 VanDerWaalsContact CE1-CZ 3.45Å; H21-R312 PolarHBondContact CE1-NH2 3.34Å; H21-R312 VanDerWaalsContact CE1-NH2 3.32Å
22T97.3Very high97Very high3 Ų331.8 Ų31.82%0.01820%0.204CC..G310 helixtrans-54.5-25.1166.3-52.80000111.8I15 C17 D19 S20 T24 H25 A32 F33I15-T22 HydrophobicContact CG2-CG2 4.25Å; I15-T22 WeakPolarHBondContact O-CG2 3.4Å; C17-T22 HydrophobicContact CB-CG2 4.11Å; C17-T22 VanDerWaalsContact CB-OG1 3.32Å; C17-T22 WeakPolarHBondContact CB-OG1 3.45Å; D19-T22 WeakPolarHBondContact O-CB 3.32Å; D19-T22 PolarHBondContact O-N 2.86Å; D19-T22 PolarHBondContact O-OG1 3.21Å; S20-T22 VanDerWaalsContact C-N 3.25Å; S20-T22 PolarHBondContact O-N 2.87Å; T22-T24 PolarHBondContact O-N 3.32Å; T22-H25 WeakPolarHBondContact O-CB 3.39Å; T22-H25 PolarHBondContact O-CD2 3.15Å; T22-H25 PolarHBondContact O-N 2.97Å; T22-A32 HydrophobicContact CG2-CB 4.34Å; T22-A32 WeakPolarHBondContact O-CB 3.29Å; T22-F33 VanDerWaalsContact CB-C 3.47Å; T22-F33 WeakPolarHBondContact CG2-O 3.42Å
23A97.3Very high97Very high0 Ų030.1 Ų30.10%018%0.184CC..G310 helixtrans-51.3-26171.700000113.8H21 H25 G26 C111H21-A23 PolarHBondContact O-N 3.39Å; H21-A23 VanDerWaalsContact O-N 3.11Å; A23-H25 PolarHBondContact O-N 2.83Å; A23-G26 PolarHBondContact O-N 3.43Å; A23-C111 CarbonylContact C-O 3.56Å; A23-C111 WeakPolarHBondContact CB-O 3.18Å; A23-C111 WeakPolarHBondContact O-CB 3.3Å
24T97.9Very high97Very high7 Ų727.3 Ų27.34%0.04318%0.176CC..G310 helixtrans-48.1-37.3173.1-51.80000113.1H21 T22 G26 A27 M108 N112H21-T24 VanDerWaalsContact O-CB 3.31Å; H21-T24 WeakPolarHBondContact O-CB 3.19Å; H21-T24 PolarHBondContact O-N 3.37Å; H21-T24 PolarHBondContact O-OG1 3.5Å; T22-T24 PolarHBondContact O-N 3.32Å; T24-G26 PolarHBondContact O-N 2.99Å; T24-A27 WeakPolarHBondContact O-CB 3.34Å; T24-A27 PolarHBondContact O-N 3.44Å; T24-M108 HydrophobicContact CG2-CB 3.82Å; T24-M108 HydrophobicContact CG2-CG 3.88Å; T24-M108 HydrophobicContact CG2-SD 4.24Å; T24-N112 HydrophobicContact CG2-CB 4.37Å; T24-N112 WeakPolarHBondContact OG1-CB 3.4Å; T24-N112 PolarHBondContact OG1-ND2 2.69Å
25H98.3Very high97Very high29 Ų2923.4 Ų23.413%0.13415%0.151CC..G310 helixtrans-67.6-21.1-176.3-68.3-84.3000113.2T9 I15 T22 A23 A27 F28 A32T9-H25 HydrophobicContact CG2-CB 3.74Å; T9-H25 VanDerWaalsContact CG2-ND1 3.34Å; T9-H25 WeakPolarHBondContact CG2-ND1 3.5Å; T9-H25 PolarHBondContact OG1-CE1 3.33Å; T9-H25 VanDerWaalsContact OG1-CE1 3.22Å; T9-H25 PolarHBondContact OG1-ND1 3.48Å; I15-H25 HydrophobicContact CD1-CB 4.15Å; T22-H25 WeakPolarHBondContact O-CB 3.39Å; T22-H25 PolarHBondContact O-CD2 3.15Å; T22-H25 PolarHBondContact O-N 2.97Å; A23-H25 PolarHBondContact O-N 2.83Å; H25-A27 PolarHBondContact O-N 3.32Å; H25-F28 WeakPolarHBondContact O-CB 3.48Å; H25-F28 PolarHBondContact O-N 3.49Å; H25-F28 VanDerWaalsContact O-N 3.11Å; H25-A32 HydrophobicContact CB-CB 3.49Å; H25-A32 VanDerWaalsContact CB-CB 3.49Å
26G98.3Very high96.9Very high0 Ų023.7 Ų23.70%016%0.162CC..G310 helixtrans-71.8-7.6177.400000114.3A23 T24 F28 G29 A30 G122 I124A23-G26 PolarHBondContact O-N 3.43Å; T24-G26 PolarHBondContact O-N 2.99Å; G26-F28 PolarHBondContact O-N 2.82Å; G26-F28 VanDerWaalsContact O-N 3.08Å; G26-G29 PolarHBondContact O-N 3.34Å; G26-A30 WeakPolarHBondContact CA-O 3.34Å; G26-G122 CarbonylContact C-O 3.58Å; G26-G122 WeakPolarHBondContact CA-O 3.22Å; G26-I124 PolarHBondContact O-N 3.18Å
27A98.4Very high96.9Very high0 Ų027 Ų270%018%0.182CC..G310 helixtrans-58-17.6164.600000113.4T24 H25 M104 R107 M108 C111T24-A27 WeakPolarHBondContact O-CB 3.34Å; T24-A27 PolarHBondContact O-N 3.44Å; H25-A27 PolarHBondContact O-N 3.32Å; A27-M104 WeakPolarHBondContact O-CE 3.33Å; A27-R107 HydrophobicContact CB-CB 3.91Å; A27-M108 HydrophobicContact CB-CB 4.43Å; A27-M108 HydrophobicContact CB-CG 3.85Å; A27-C111 VanDerWaalsContact CA-SG 3.56Å; A27-C111 HydrophobicContact CB-CB 4.11Å; A27-C111 PolarHBondContact N-SG 3.42Å; A27-C111 VanDerWaalsContact N-SG 3.37Å
28F98.4Very high96.9Very high0 Ų028.2 Ų28.20%019%0.191CC..G310 helixtrans-99.510.3178.6-68.8-104.4000112.9P4 T9 P11 H25 G26 A30 M104 M108 T130 Y133 V134P4-F28 HydrophobicContact CB-CE2 3.78Å; P4-F28 HydrophobicContact CB-CZ 3.62Å; P4-F28 HydrophobicContact CG-CE2 3.83Å; P4-F28 HydrophobicContact CG-CZ 4.2Å; T9-F28 HydrophobicContact CG2-CB 3.82Å; T9-F28 HydrophobicContact CG2-CD1 4.25Å; T9-F28 HydrophobicContact CG2-CD2 3.55Å; T9-F28 HydrophobicContact CG2-CE2 4.22Å; T9-F28 HydrophobicContact CG2-CG 3.59Å; P11-F28 WeakPolarHBondContact CA-O 3.43Å; P11-F28 VanDerWaalsContact CB-O 3.26Å; P11-F28 WeakPolarHBondContact CB-O 3.37Å; P11-F28 WeakPolarHBondContact CG-O 3.27Å; H25-F28 WeakPolarHBondContact O-CB 3.48Å; H25-F28 PolarHBondContact O-N 3.49Å; H25-F28 VanDerWaalsContact O-N 3.11Å; G26-F28 PolarHBondContact O-N 2.82Å; G26-F28 VanDerWaalsContact O-N 3.08Å; F28-A30 VanDerWaalsContact C-N 3.31Å; F28-M104 HydrophobicContact CD1-CE 3.67Å; F28-M104 HydrophobicContact CD2-CE 3.77Å; F28-M104 HydrophobicContact CE1-CE 3.54Å; F28-M104 HydrophobicContact CE2-CE 3.63Å; F28-M104 HydrophobicContact CG-CE 3.75Å; F28-M104 HydrophobicContact CZ-CE 3.49Å; F28-M104 VanDerWaalsContact CZ-CE 3.49Å; F28-M108 HydrophobicContact CE2-CG 3.93Å; F28-M108 HydrophobicContact CE2-SD 3.78Å; F28-M108 HydrophobicContact CZ-SD 4.3Å; F28-T130 HydrophobicContact CB-CG2 4.22Å; F28-T130 HydrophobicContact CD1-CG2 3.91Å; F28-T130 HydrophobicContact CG-CG2 4.4Å; F28-Y133 AromaticContact CE1-CD1 3.56Å; F28-Y133 HydrophobicContact CE1-CD1 3.56Å; F28-Y133 AromaticContact CE1-CE1 3.95Å; F28-Y133 HydrophobicContact CE1-CE1 3.95Å; F28-Y133 HydrophobicContact CE1-CG 4.36Å; F28-Y133 AromaticContact CZ-CD1 3.69Å; F28-Y133 HydrophobicContact CZ-CD1 3.69Å; F28-Y133 AromaticContact CZ-CE1 3.64Å; F28-Y133 HydrophobicContact CZ-CE1 3.64Å; F28-Y133 HydrophobicContact CZ-CG 4.5Å; F28-V134 HydrophobicContact CD1-CG2 3.89Å; F28-V134 HydrophobicContact CE1-CG2 3.95Å
29G98Very high97Very high10 Ų1028.3 Ų28.310%0.10318%0.176CC..THydrogen-bonded Turntrans72.225.1-171.300000113.4G12 G26 I124G12-G29 PolarHBondContact N-O 2.95Å; G26-G29 PolarHBondContact O-N 3.34Å; G29-I124 WeakPolarHBondContact CA-O 3.41Å; G29-I124 PolarHBondContact N-O 3.27Å
30A97.9Very high97.1Very high0 Ų026.1 Ų26.10%017%0.166CC..  trans-97.8140.317600000111.1K13 I15 G26 F28 A32 L123K13-A30 CarbonylContact O-C 3.54Å; K13-A30 WeakPolarHBondContact O-CA 3.37Å; K13-A30 WeakPolarHBondContact O-CB 3.38Å; I15-A30 HydrophobicContact CD1-CB 3.93Å; I15-A30 HydrophobicContact CG1-CB 4.47Å; G26-A30 WeakPolarHBondContact CA-O 3.34Å; F28-A30 VanDerWaalsContact C-N 3.31Å; A30-A32 PolarHBondContact O-N 2.94Å; A30-L123 WeakPolarHBondContact O-CD1 3.28Å
31L97.2Very high97.3Very high78 Ų7830.3 Ų30.341%0.40818%0.181SC..EExtended strand (participates in β ladder)trans-76.594.8170.6-178.465000108.9K13 T14 I15 F33 I121K13-L31 PolarHBondContact O-N 2.82Å; T14-L31 CarbonylContact C-O 3.52Å; T14-L31 VanDerWaalsContact CA-O 3.28Å; T14-L31 WeakPolarHBondContact CA-O 3.28Å; I15-L31 PolarHBondContact N-O 3.43Å; L31-F33 HydrophobicContact CG-CE1 4.32Å; L31-I121 HydrophobicContact CD1-CD1 3.54Å; L31-I121 HydrophobicContact CD1-CG1 4Å; L31-I121 HydrophobicContact CD1-CG2 4.03Å
32A97.8Very high97.4Very high0 Ų034.1 Ų34.10%020%0.199CC..EExtended strand (participates in β ladder)trans-126.2133-169.300000114.4I15 T22 H25 A30I15-A32 HydrophobicContact CB-CB 4.05Å; I15-A32 WeakPolarHBondContact O-CA 3.38Å; T22-A32 HydrophobicContact CG2-CB 4.34Å; T22-A32 WeakPolarHBondContact O-CB 3.29Å; H25-A32 HydrophobicContact CB-CB 3.49Å; H25-A32 VanDerWaalsContact CB-CB 3.49Å; A30-A32 PolarHBondContact O-N 2.94Å
33F97.2Very high97.4Very high13 Ų1335 Ų356%0.05720%0.204CC..EExtended strand (participates in β ladder)trans-159.2153.6-177.355.3-94.2000114.5T14 I15 V16 T22 L31 I35 L49 Q51 K120 I121T14-F33 HydrophobicContact CG2-CE1 4.39Å; I15-F33 PolarHBondContact O-N 2.88Å; V16-F33 WeakPolarHBondContact CA-O 3.39Å; V16-F33 HydrophobicContact CG1-CD1 4.43Å; V16-F33 HydrophobicContact CG1-CD2 3.82Å; V16-F33 HydrophobicContact CG1-CE1 4.05Å; V16-F33 HydrophobicContact CG1-CE2 3.41Å; V16-F33 VanDerWaalsContact CG1-CE2 3.41Å; V16-F33 HydrophobicContact CG1-CG 4.33Å; V16-F33 HydrophobicContact CG1-CZ 3.53Å; T22-F33 VanDerWaalsContact CB-C 3.47Å; T22-F33 WeakPolarHBondContact CG2-O 3.42Å; L31-F33 HydrophobicContact CG-CE1 4.32Å; F33-I35 HydrophobicContact CD2-CG2 3.69Å; F33-I35 HydrophobicContact CE2-CG2 3.61Å; F33-L49 HydrophobicContact CE2-CD2 3.79Å; F33-L49 HydrophobicContact CZ-CD2 4.2Å; F33-Q51 HydrophobicContact CE2-CG 4.04Å; F33-Q51 HydrophobicContact CZ-CG 3.82Å; F33-K120 HydrophobicContact CB-CD 4.2Å; F33-K120 HydrophobicContact CB-CG 3.65Å; F33-K120 WeakPolarHBondContact CB-O 3.31Å; F33-K120 HydrophobicContact CD2-CD 4.42Å; F33-K120 HydrophobicContact CG-CD 4.48Å; F33-K120 HydrophobicContact CG-CG 4.41Å; F33-I121 HydrophobicContact CB-CG1 4.14Å; F33-I121 HydrophobicContact CD1-CD1 4.3Å; F33-I121 HydrophobicContact CD1-CG1 4.08Å
34G96.5Very high97.4Very high15 Ų1542.8 Ų42.816%0.15524%0.238CC..EExtended strand (participates in β ladder)trans-74.6147.517600000112.9C17 D19 K120C17-G34 WeakPolarHBondContact O-CA 3.19Å; D19-G34 WeakPolarHBondContact O-CA 3.32Å; G34-K120 WeakPolarHBondContact O-CE 3.45Å; G34-K120 PolarHBondContact O-NZ 3.2Å
35I97Very high97.4Very high16 Ų1646.5 Ų46.58%0.08227%0.27CS..  trans-135.5158.2179.658.6166.7000111.3V16 C17 G18 F33 E39 V40 V43 L49V16-I35 HydrophobicContact CB-CD1 3.79Å; V16-I35 HydrophobicContact CB-CG1 4.11Å; V16-I35 HydrophobicContact CB-CG2 4.07Å; V16-I35 HydrophobicContact CG1-CG2 4.13Å; V16-I35 HydrophobicContact CG2-CD1 3.75Å; C17-I35 WeakPolarHBondContact O-CG1 3.45Å; C17-I35 PolarHBondContact O-N 2.85Å; G18-I35 WeakPolarHBondContact CA-O 3.28Å; F33-I35 HydrophobicContact CD2-CG2 3.69Å; F33-I35 HydrophobicContact CE2-CG2 3.61Å; I35-E39 WeakPolarHBondContact CA-OE2 3.41Å; I35-E39 HydrophobicContact CB-CB 3.79Å; I35-E39 WeakPolarHBondContact CB-OE2 3.36Å; I35-E39 HydrophobicContact CD1-CB 4Å; I35-E39 HydrophobicContact CG1-CB 4.33Å; I35-E39 HydrophobicContact CG2-CB 4.47Å; I35-V40 HydrophobicContact CD1-CB 4.3Å; I35-V40 HydrophobicContact CD1-CG2 3.65Å; I35-V40 HydrophobicContact CG1-CG2 3.7Å; I35-V43 HydrophobicContact CD1-CG2 4.09Å; I35-L49 HydrophobicContact CG2-CD2 3.65Å
36G95.9Very high97.3Very high37 Ų3748.2 Ų48.238%0.38128%0.282SS..  trans-79167.6177.300000113.5S38 E39 V40G36-S38 PolarHBondContact O-N 3.2Å; G36-E39 PolarHBondContact N-OE2 3.2Å; G36-E39 WeakPolarHBondContact O-CB 3.45Å; G36-E39 PolarHBondContact O-N 3.21Å; G36-V40 WeakPolarHBondContact O-CG2 3.3Å; G36-V40 PolarHBondContact O-N 2.89Å
37T95.9Very high97.3Very high109 Ų10955.4 Ų55.467%0.66932%0.316SS*.Hα-helixtrans-53.9-46.4-177.9-51.80000113.3E39 V40 E41T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 PolarHBondContact O-N 2.87Å; T37-V40 WeakPolarHBondContact O-CB 3.28Å; T37-V40 PolarHBondContact O-N 3.08Å; T37-V40 VanDerWaalsContact O-N 3.14Å; T37-E41 PolarHBondContact O-N 3.11Å
38S96.3Very high97.2Very high92 Ų9258.5 Ų58.564%0.64334%0.338SS*.Hα-helixtrans-66.5-31.2178.8-54.60000113G36 H42G36-S38 PolarHBondContact O-N 3.2Å; S38-H42 WeakPolarHBondContact O-CB 3.4Å; S38-H42 PolarHBondContact O-N 3Å
39E96.9Very high97.1Very high59 Ų5960.8 Ų60.828%0.27635%0.349SS..Hα-helixtrans-70.5-37.5172.8-67.6179.5113.100110.8I35 G36 T37 H42 V43 L49 Q51I35-E39 WeakPolarHBondContact CA-OE2 3.41Å; I35-E39 HydrophobicContact CB-CB 3.79Å; I35-E39 WeakPolarHBondContact CB-OE2 3.36Å; I35-E39 HydrophobicContact CD1-CB 4Å; I35-E39 HydrophobicContact CG1-CB 4.33Å; I35-E39 HydrophobicContact CG2-CB 4.47Å; G36-E39 PolarHBondContact N-OE2 3.2Å; G36-E39 WeakPolarHBondContact O-CB 3.45Å; G36-E39 PolarHBondContact O-N 3.21Å; T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 PolarHBondContact O-N 2.87Å; E39-H42 PolarHBondContact O-N 3.37Å; E39-V43 VanDerWaalsContact O-CG2 3.32Å; E39-V43 WeakPolarHBondContact O-CG2 3.31Å; E39-V43 PolarHBondContact O-N 2.97Å; E39-L49 HydrophobicContact CB-CD1 3.84Å; E39-L49 HydrophobicContact CG-CD1 3.89Å; E39-Q51 PolarHBondContact OE1-NE2 3.19Å
40V97.2Very high96.9Very high34 Ų3469.5 Ų69.521%0.20638%0.379CS..Hα-helixtrans-60.5-47.8174.4174.50000110.3I35 G36 T37 H42 V43 F44I35-V40 HydrophobicContact CD1-CB 4.3Å; I35-V40 HydrophobicContact CD1-CG2 3.65Å; I35-V40 HydrophobicContact CG1-CG2 3.7Å; G36-V40 WeakPolarHBondContact O-CG2 3.3Å; G36-V40 PolarHBondContact O-N 2.89Å; T37-V40 WeakPolarHBondContact O-CB 3.28Å; T37-V40 PolarHBondContact O-N 3.08Å; T37-V40 VanDerWaalsContact O-N 3.14Å; V40-H42 VanDerWaalsContact C-N 3.3Å; V40-H42 PolarHBondContact O-N 3.24Å; V40-V43 PolarHBondContact O-N 3.44Å; V40-F44 HydrophobicContact CG1-CD2 4.42Å; V40-F44 HydrophobicContact CG1-CE2 4.19Å; V40-F44 HydrophobicContact CG1-CZ 4.29Å; V40-F44 PolarHBondContact O-N 3.25Å
41E97.3Very high96.7Very high126 Ų12672.6 Ų72.659%0.58939%0.394SS*.Hα-helixtrans-57-44.5175.2-70.8173.4-178.100111.4T37 F44 A45T37-E41 PolarHBondContact O-N 3.11Å; E41-F44 PolarHBondContact O-N 3.35Å; E41-A45 PolarHBondContact O-N 3.08Å
42H97.6Very high96.5Very high88 Ų8874.7 Ų74.741%0.40741%0.406SS..Hα-helixtrans-62.5-46.6177.8-171.282.8000112.3S38 E39 V40 F44 A45 T46 S48S38-H42 WeakPolarHBondContact O-CB 3.4Å; S38-H42 PolarHBondContact O-N 3Å; E39-H42 PolarHBondContact O-N 3.37Å; V40-H42 VanDerWaalsContact C-N 3.3Å; V40-H42 PolarHBondContact O-N 3.24Å; H42-F44 VanDerWaalsContact C-N 3.33Å; H42-F44 PolarHBondContact O-N 2.85Å; H42-A45 PolarHBondContact O-N 3.29Å; H42-A45 VanDerWaalsContact O-N 3.08Å; H42-T46 PolarHBondContact CD2-OG1 2.8Å; H42-T46 PolarHBondContact NE2-OG1 3.05Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.21Å; H42-T46 VanDerWaalsContact O-OG1 3.05Å; H42-S48 PolarHBondContact CD2-O 3.15Å
43V97.7Very high96.3Very high21 Ų2183.6 Ų83.613%0.12744%0.444CS..Hα-helixtrans-61.8-40.5177.7170.40000111V16 I35 E39 V40 A45 Q47 L49V16-V43 HydrophobicContact CG2-CB 4.48Å; V16-V43 HydrophobicContact CG2-CG1 3.95Å; V16-V43 HydrophobicContact CG2-CG2 4.01Å; I35-V43 HydrophobicContact CD1-CG2 4.09Å; E39-V43 VanDerWaalsContact O-CG2 3.32Å; E39-V43 WeakPolarHBondContact O-CG2 3.31Å; E39-V43 PolarHBondContact O-N 2.97Å; V40-V43 PolarHBondContact O-N 3.44Å; V43-A45 VanDerWaalsContact C-N 3.29Å; V43-A45 PolarHBondContact O-N 3.31Å; V43-Q47 VanDerWaalsContact O-CA 3.26Å; V43-Q47 WeakPolarHBondContact O-CA 3.39Å; V43-Q47 PolarHBondContact O-N 3.44Å; V43-Q47 PolarHBondContact O-NE2 3.29Å; V43-L49 HydrophobicContact CG2-CB 4.02Å; V43-L49 HydrophobicContact CG2-CD1 4.28Å; V43-L49 HydrophobicContact CG2-CD2 4.37Å; V43-L49 HydrophobicContact CG2-CG 4.46Å
44F97.3Very high96.2Very high164 Ų16485.2 Ų85.272%0.71946%0.456SS*.Hα-helixtrans-62.2-36.3173.6-78.4-5.8000112.9V40 E41 H42V40-F44 HydrophobicContact CG1-CD2 4.42Å; V40-F44 HydrophobicContact CG1-CE2 4.19Å; V40-F44 HydrophobicContact CG1-CZ 4.29Å; V40-F44 PolarHBondContact O-N 3.25Å; E41-F44 PolarHBondContact O-N 3.35Å; H42-F44 VanDerWaalsContact C-N 3.33Å; H42-F44 PolarHBondContact O-N 2.85Å
45A97.9Very high96.2Very high85 Ų8589.8 Ų89.870%0.70247%0.471SS*.Hα-helixtrans-77.1-36.8179.100000113.6E41 H42 V43E41-A45 PolarHBondContact O-N 3.08Å; H42-A45 PolarHBondContact O-N 3.29Å; H42-A45 VanDerWaalsContact O-N 3.08Å; V43-A45 VanDerWaalsContact C-N 3.29Å; V43-A45 PolarHBondContact O-N 3.31Å
46T97.5Very high96.2Very high65 Ų6592.5 Ų92.540%0.39949%0.486SS..Hα-helixtrans-123.3-13.9-16672.90000114.9H42 S48H42-T46 PolarHBondContact CD2-OG1 2.8Å; H42-T46 PolarHBondContact NE2-OG1 3.05Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.21Å; H42-T46 VanDerWaalsContact O-OG1 3.05Å; T46-S48 WeakPolarHBondContact CB-OG 3.16Å; T46-S48 PolarHBondContact O-N 2.73Å; T46-S48 VanDerWaalsContact O-N 3.07Å; T46-S48 PolarHBondContact OG1-N 3.11Å; T46-S48 VanDerWaalsContact OG1-N 3.13Å; T46-S48 PolarHBondContact OG1-O 3.19Å; T46-S48 PolarHBondContact OG1-OG 2.66Å
47Q96.8Very high96.3Very high152 Ų15290.7 Ų90.771%0.7147%0.468SS*.SBendtrans52.223.1-168.9-61.9-68.7-77.400113.7V43V43-Q47 VanDerWaalsContact O-CA 3.26Å; V43-Q47 WeakPolarHBondContact O-CA 3.39Å; V43-Q47 PolarHBondContact O-N 3.44Å; V43-Q47 PolarHBondContact O-NE2 3.29Å
48S96.7Very high96.4Very high65 Ų6585.6 Ų85.646%0.45544%0.437SS..  trans-130.5162175.962.20000109.7H42 T46H42-S48 PolarHBondContact CD2-O 3.15Å; T46-S48 WeakPolarHBondContact CB-OG 3.16Å; T46-S48 PolarHBondContact O-N 2.73Å; T46-S48 VanDerWaalsContact O-N 3.07Å; T46-S48 PolarHBondContact OG1-N 3.11Å; T46-S48 VanDerWaalsContact OG1-N 3.13Å; T46-S48 PolarHBondContact OG1-O 3.19Å; T46-S48 PolarHBondContact OG1-OG 2.66Å
49L95.6Very high96.5Very high47 Ų4781.2 Ų81.225%0.24641%0.406CS..  trans-153.6129177.4-175.264.7000109V16 F33 I35 E39 V43 Q51V16-L49 HydrophobicContact CG1-CD2 4.44Å; F33-L49 HydrophobicContact CE2-CD2 3.79Å; F33-L49 HydrophobicContact CZ-CD2 4.2Å; I35-L49 HydrophobicContact CG2-CD2 3.65Å; E39-L49 HydrophobicContact CB-CD1 3.84Å; E39-L49 HydrophobicContact CG-CD1 3.89Å; V43-L49 HydrophobicContact CG2-CB 4.02Å; V43-L49 HydrophobicContact CG2-CD1 4.28Å; V43-L49 HydrophobicContact CG2-CD2 4.37Å; V43-L49 HydrophobicContact CG2-CG 4.46Å; L49-Q51 HydrophobicContact CD2-CG 4.01Å; L49-Q51 HydrophobicContact CG-CG 4.07Å
50W94.1Very high96.6Very high194 Ų19483.5 Ų83.574%0.73542%0.415SS*.  trans-76.4129171.6-171.691.3000109.5N52W50-N52 WeakPolarHBondContact CH2-OD1 3.33Å
51Q93.5Very high96.6Very high64 Ų6481.9 Ų81.930%0.29941%0.405SS..  trans-140.3147.6177.8-66.7-67.3-71.200110F33 E39 L49F33-Q51 HydrophobicContact CE2-CG 4.04Å; F33-Q51 HydrophobicContact CZ-CG 3.82Å; E39-Q51 PolarHBondContact OE1-NE2 3.19Å; L49-Q51 HydrophobicContact CD2-CG 4.01Å; L49-Q51 HydrophobicContact CG-CG 4.07Å
52N92.7Very high96.7Very high123 Ų12377.8 Ų77.866%0.65839%0.389SS*.PPolyproline II helixtrans-72.1131.4165.2-73.2-44.5000109.2W50 P54W50-N52 WeakPolarHBondContact CH2-OD1 3.33Å; N52-P54 WeakPolarHBondContact O-CD 3.42Å
53K94.4Very high96.7Very high187 Ų18774 Ų7481%0.81337%0.373SS*.PPolyproline II helixtrans-65118.8173.6-173.8177.8179.9179.80108.6
54P95.3Very high96.7Very high46 Ų4681 Ų8130%0.29940%0.402SS..PPolyproline II helixtrans-70.9160.2175.933.2-36.6000110.3N52 G89 I121N52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-G89 WeakPolarHBondContact CA-O 3.44Å; P54-I121 HydrophobicContact CG-CD1 4.01Å
55K97.3Very high96.6Very high111 Ų11175.1 Ų75.148%0.48338%0.378SS..EExtended strand (participates in β ladder)trans-70.3157.8166.6-70.1-175.3-179-174.30110.5G89 Y90 G91 D163K55-G89 PolarHBondContact N-O 3.44Å; K55-Y90 HydrophobicContact CB-CD1 3.42Å; K55-Y90 VanDerWaalsContact CB-CD1 3.42Å; K55-Y90 HydrophobicContact CB-CE1 3.57Å; K55-Y90 HydrophobicContact CB-CG 4.18Å; K55-Y90 HydrophobicContact CD-CE1 3.99Å; K55-Y90 HydrophobicContact CG-CE1 4.45Å; K55-Y90 CarbonylContact O-C 3.46Å; K55-Y90 WeakPolarHBondContact O-CA 3.18Å; K55-G91 PolarHBondContact O-N 3.43Å; K55-D163 WeakPolarHBondContact CA-OD2 3.47Å; K55-D163 HydrophobicContact CB-CB 3.97Å; K55-D163 WeakPolarHBondContact CB-OD2 3.3Å; K55-D163 HydrophobicContact CD-CB 4.29Å; K55-D163 HydrophobicContact CG-CB 4.48Å
56N96.8Very high96.5Very high73 Ų7372.8 Ų72.839%0.3936%0.355SS..EExtended strand (participates in β ladder)trans-88.8124.5179.1-66.5-20.2000110.3H161 Y162 D163 K164N56-H161 PolarHBondContact ND2-O 2.86Å; N56-Y162 HydrophobicContact CB-CD1 4.11Å; N56-D163 PolarHBondContact N-OD2 3.32Å; N56-D163 WeakPolarHBondContact O-CB 3.38Å; N56-D163 PolarHBondContact O-N 3.3Å; N56-K164 PolarHBondContact O-N 2.63Å
57M98Very high96.4Very high0 Ų075 Ų750%036%0.36CS..EExtended strand (participates in β ladder)trans-115.4125.9170.6176.2177.4-62.900110.2I59 F86 Y90 G91 A92 E93 K164 L166M57-I59 HydrophobicContact CG-CD1 4.48Å; M57-I59 HydrophobicContact CG-CG1 3.95Å; M57-I59 HydrophobicContact SD-CD1 4Å; M57-I59 HydrophobicContact SD-CG1 4.04Å; M57-F86 HydrophobicContact CE-CD2 4.31Å; M57-F86 WeakPolarHBondContact CE-O 3.49Å; M57-F86 HydrophobicContact SD-CD2 3.89Å; M57-F86 HydrophobicContact SD-CE2 4.12Å; M57-Y90 HydrophobicContact CB-CD1 3.86Å; M57-Y90 HydrophobicContact CB-CG 4Å; M57-Y90 HydrophobicContact CE-CD1 4.06Å; M57-Y90 HydrophobicContact CE-CD2 3.67Å; M57-Y90 HydrophobicContact CE-CE1 4.47Å; M57-Y90 HydrophobicContact CE-CE2 4.14Å; M57-Y90 HydrophobicContact CE-CG 3.65Å; M57-G91 PolarHBondContact N-O 3.22Å; M57-A92 WeakPolarHBondContact O-CA 3.19Å; M57-A92 HydrophobicContact SD-CB 4.49Å; M57-E93 PolarHBondContact O-N 2.71Å; M57-K164 CarbonylContact C-O 3.44Å; M57-K164 VanDerWaalsContact CA-O 3.28Å; M57-K164 WeakPolarHBondContact CA-O 3.31Å; M57-K164 HydrophobicContact CE-CB 4.32Å; M57-K164 HydrophobicContact CE-CD 3.76Å; M57-K164 HydrophobicContact CE-CG 4.2Å; M57-L166 HydrophobicContact SD-CD1 3.98Å; M57-L166 HydrophobicContact SD-CG 4.39Å
58G97.9Very high96.4Very high1 Ų168.1 Ų68.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-96129.2169.900000110.3K164 V165 L166G58-K164 PolarHBondContact N-O 2.73Å; G58-V165 CarbonylContact O-C 3.09Å; G58-V165 VanDerWaalsContact O-CA 3.29Å; G58-V165 WeakPolarHBondContact O-CA 3.43Å; G58-L166 PolarHBondContact O-N 2.98Å
59I98.3Very high96.5Very high0 Ų065.3 Ų65.30%031%0.309CS..EExtended strand (participates in β ladder)trans-119.196.3175-53.5-178.1000107.7M57 I61 L78 F86 A92 E93 F94 C95 L166M57-I59 HydrophobicContact CG-CD1 4.48Å; M57-I59 HydrophobicContact CG-CG1 3.95Å; M57-I59 HydrophobicContact SD-CD1 4Å; M57-I59 HydrophobicContact SD-CG1 4.04Å; I59-I61 HydrophobicContact CG2-CD1 3.75Å; I59-I61 HydrophobicContact CG2-CG1 4.49Å; I59-L78 HydrophobicContact CG2-CD1 3.87Å; I59-L78 HydrophobicContact CG2-CD2 4.11Å; I59-F86 HydrophobicContact CD1-CE2 3.94Å; I59-A92 HydrophobicContact CD1-CB 3.88Å; I59-E93 PolarHBondContact N-O 3.21Å; I59-F94 HydrophobicContact CB-CD1 3.9Å; I59-F94 HydrophobicContact CB-CE1 4.26Å; I59-F94 HydrophobicContact CD1-CD1 4.11Å; I59-F94 HydrophobicContact CD1-CE1 3.61Å; I59-F94 HydrophobicContact CD1-CZ 3.91Å; I59-F94 HydrophobicContact CG2-CD1 3.91Å; I59-F94 HydrophobicContact CG2-CE1 4.14Å; I59-F94 WeakPolarHBondContact O-CA 3.26Å; I59-C95 PolarHBondContact O-N 3.45Å; I59-L166 WeakPolarHBondContact CA-O 3.49Å; I59-L166 HydrophobicContact CG1-CB 4.39Å; I59-L166 HydrophobicContact CG2-CB 4.4Å
60K98Very high96.6Very high108 Ų10864.9 Ų64.947%0.4730%0.304SS..EExtended strand (participates in β ladder)trans-87.9115.4-177.1-172.7179.2-178.5174.90110.7T62 C95 L166 T167 L168K60-T62 HydrophobicContact CD-CG2 4.34Å; K60-T62 HydrophobicContact CG-CG2 4.04Å; K60-C95 CarbonylContact C-O 3.52Å; K60-C95 WeakPolarHBondContact CA-O 3.13Å; K60-L166 PolarHBondContact N-O 2.87Å; K60-T167 HydrophobicContact CB-CG2 4.33Å; K60-T167 WeakPolarHBondContact O-CA 3.41Å; K60-L168 PolarHBondContact O-N 2.69Å
61I98.5Very high96.8Very high0 Ų055.8 Ų55.80%027%0.27CS..EExtended strand (participates in β ladder)trans-108.8121.3177.1-44.2-60.9000109.2I59 I74 L78 C95 G96 T98 I99 L168 V170I59-I61 HydrophobicContact CG2-CD1 3.75Å; I59-I61 HydrophobicContact CG2-CG1 4.49Å; I61-I74 HydrophobicContact CD1-CG2 4.22Å; I61-I74 HydrophobicContact CG1-CG2 4.41Å; I61-I74 HydrophobicContact CG2-CD1 4.47Å; I61-I74 HydrophobicContact CG2-CG2 4.25Å; I61-L78 HydrophobicContact CD1-CD1 4.07Å; I61-L78 HydrophobicContact CD1-CD2 4.34Å; I61-C95 PolarHBondContact N-O 2.95Å; I61-G96 CarbonylContact O-C 3.38Å; I61-G96 WeakPolarHBondContact O-CA 3.45Å; I61-T98 HydrophobicContact CG2-CG2 3.89Å; I61-T98 PolarHBondContact O-OG1 3.32Å; I61-I99 HydrophobicContact CB-CD1 4.24Å; I61-I99 HydrophobicContact CB-CG1 4.05Å; I61-I99 HydrophobicContact CG1-CD1 3.91Å; I61-I99 HydrophobicContact CG1-CG1 4.01Å; I61-L168 WeakPolarHBondContact CA-O 3.35Å; I61-L168 HydrophobicContact CD1-CB 3.72Å; I61-L168 HydrophobicContact CD1-CD2 4.27Å; I61-V170 HydrophobicContact CG2-CG1 3.41Å; I61-V170 VanDerWaalsContact CG2-CG1 3.41Å
62T98.5Very high97Very high40 Ų4052.8 Ų52.825%0.24526%0.256CS..EExtended strand (participates in β ladder)trans-127.2161.3-176.455.50000111.6K60 T98 L168 D169 V170K60-T62 HydrophobicContact CD-CG2 4.34Å; K60-T62 HydrophobicContact CG-CG2 4.04Å; T62-T98 WeakPolarHBondContact CA-OG1 3.33Å; T62-T98 PolarHBondContact N-OG1 3.31Å; T62-T98 PolarHBondContact O-OG1 3.42Å; T62-L168 PolarHBondContact N-O 3.5Å; T62-D169 CarbonylContact O-C 3.55Å; T62-D169 WeakPolarHBondContact O-CA 3.17Å; T62-V170 WeakPolarHBondContact O-CG2 3.35Å; T62-V170 PolarHBondContact O-N 3.07Å
63G98Very high97.3Very high7 Ų746.9 Ų46.97%0.07223%0.225CC..SBendtrans95175.3-179.300000113.6E97 T98 N171G63-E97 PolarHBondContact N-OE1 3.3Å; G63-T98 PolarHBondContact N-OG1 3.17Å; G63-T98 PolarHBondContact O-OG1 2.82Å; G63-N171 WeakPolarHBondContact CA-ND2 3.26Å; G63-N171 WeakPolarHBondContact CA-OD1 3.3Å
64K97Very high97.5Very high170 Ų17038 Ų3874%0.73919%0.186SC*.PPolyproline II helixtrans-102.5124.9-179.3-175.6177.5179.3179.30109.8P66 N171K64-P66 WeakPolarHBondContact O-CD 3.37Å; K64-N171 PolarHBondContact N-OD1 3.5Å
65L95.6Very high97.6Very high40 Ų4035.8 Ų35.821%0.20917%0.172CC..PPolyproline II helixtrans-55.4125.1176.2-85175.7000111V69 I74 T98 L102 V170 L173L65-V69 HydrophobicContact CD2-CB 4.31Å; L65-V69 HydrophobicContact CD2-CG1 3.83Å; L65-I74 HydrophobicContact CD1-CD1 4.09Å; L65-I74 HydrophobicContact CD2-CD1 3.94Å; L65-I74 HydrophobicContact CD2-CG1 3.92Å; L65-I74 HydrophobicContact CG-CD1 4.29Å; L65-T98 HydrophobicContact CG-CG2 4.15Å; L65-L102 HydrophobicContact CD1-CD2 3.77Å; L65-V170 HydrophobicContact CD2-CB 4.12Å; L65-V170 HydrophobicContact CD2-CG2 4.15Å; L65-V170 HydrophobicContact CG-CG2 4.26Å; L65-L173 HydrophobicContact CD2-CD2 4.19Å
66P96.3Very high97.7Very high35 Ų3530.6 Ų30.623%0.22715%0.149CC..PPolyproline II helixtrans-63.8155.3173.3-26.738.5000111.3K64 G68 V69 V170 N171 L173K64-P66 WeakPolarHBondContact O-CD 3.37Å; P66-G68 PolarHBondContact O-N 2.76Å; P66-V69 HydrophobicContact CB-CG2 3.99Å; P66-V69 HydrophobicContact CG-CG2 4.49Å; P66-V69 WeakPolarHBondContact O-CB 3.12Å; P66-V69 PolarHBondContact O-N 3.17Å; P66-V69 VanDerWaalsContact O-N 3.12Å; P66-V170 WeakPolarHBondContact CD-O 3.27Å; P66-N171 VanDerWaalsContact CG-O 3.29Å; P66-N171 WeakPolarHBondContact CG-O 3.43Å; P66-L173 WeakPolarHBondContact CG-O 3.44Å
67K95.7Very high97.7Very high113 Ų11327.4 Ų27.449%0.49113%0.133SC..THydrogen-bonded Turntrans-57.2133.5174.9178.6177.5170-1780110.4V69 R345 V348 I349K67-V69 VanDerWaalsContact C-N 3.29Å; K67-R345 WeakPolarHBondContact O-CG 3.21Å; K67-V348 HydrophobicContact CD-CG2 4.46Å; K67-V348 WeakPolarHBondContact CE-O 3.48Å; K67-V348 HydrophobicContact CG-CG2 3.81Å; K67-V348 PolarHBondContact NZ-O 3.5Å; K67-I349 WeakPolarHBondContact CE-OXT 3.3Å; K67-I349 PolarHBondContact NZ-OXT 2.9Å
68G96.7Very high97.7Very high6 Ų627.4 Ų27.46%0.06213%0.133CC..THydrogen-bonded Turntrans78.59.5-178.800000114.9P66 Y70 S344P66-G68 PolarHBondContact O-N 2.76Å; G68-Y70 VanDerWaalsContact C-CE2 3.43Å; G68-Y70 VanDerWaalsContact O-CE2 3.3Å; G68-Y70 WeakPolarHBondContact O-CE2 3.25Å; G68-S344 WeakPolarHBondContact O-CB 3.33Å; G68-S344 PolarHBondContact O-OG 3.07Å
69V97.9Very high97.7Very high7 Ų727.4 Ų27.44%0.04213%0.133CC..  trans-114.7134.3173.6-173.20000108.5L65 P66 K67 D73 L173 P175 R345L65-V69 HydrophobicContact CD2-CB 4.31Å; L65-V69 HydrophobicContact CD2-CG1 3.83Å; P66-V69 HydrophobicContact CB-CG2 3.99Å; P66-V69 HydrophobicContact CG-CG2 4.49Å; P66-V69 WeakPolarHBondContact O-CB 3.12Å; P66-V69 PolarHBondContact O-N 3.17Å; P66-V69 VanDerWaalsContact O-N 3.12Å; K67-V69 VanDerWaalsContact C-N 3.29Å; V69-D73 HydrophobicContact CG1-CB 3.73Å; V69-L173 HydrophobicContact CG1-CB 4.28Å; V69-L173 HydrophobicContact CG1-CD2 3.67Å; V69-L173 HydrophobicContact CG1-CG 3.77Å; V69-L173 WeakPolarHBondContact CG2-O 3.39Å; V69-P175 HydrophobicContact CG2-CG 4.26Å; V69-R345 HydrophobicContact CG2-CG 4.33Å
70Y97.7Very high97.7Very high38 Ų3828.9 Ų28.915%0.14915%0.145CC..  trans-127171.7-170.2-56-90.4000111.2G68 K72 D73 I74 E239 A330G68-Y70 VanDerWaalsContact C-CE2 3.43Å; G68-Y70 VanDerWaalsContact O-CE2 3.3Å; G68-Y70 WeakPolarHBondContact O-CE2 3.25Å; Y70-K72 PolarHBondContact O-N 3.46Å; Y70-K72 VanDerWaalsContact O-N 3.07Å; Y70-D73 PolarHBondContact N-OD2 2.7Å; Y70-D73 WeakPolarHBondContact O-CB 3.32Å; Y70-D73 PolarHBondContact O-N 2.62Å; Y70-I74 PolarHBondContact O-N 2.85Å; Y70-E239 HydrophobicContact CE1-CG 3.66Å; Y70-E239 PolarHBondContact OH-OE1 2.96Å; Y70-A330 HydrophobicContact CD2-CB 4.14Å; Y70-A330 HydrophobicContact CE2-CB 3.27Å; Y70-A330 WeakPolarHBondContact OH-CB 3.24Å
71A98Very high97.7Very high2 Ų229.4 Ų29.42%0.01715%0.148CC..Hα-helixtrans-55.6-28.5177.200000114.1D73 I74 I75 L102 E106 I110A71-D73 VanDerWaalsContact C-N 3.31Å; A71-D73 PolarHBondContact O-N 3.47Å; A71-I74 PolarHBondContact O-N 3.37Å; A71-I75 PolarHBondContact O-N 2.99Å; A71-L102 HydrophobicContact CB-CD1 4.21Å; A71-L102 HydrophobicContact CB-CD2 4.47Å; A71-E106 HydrophobicContact CB-CB 3.65Å; A71-E106 HydrophobicContact CB-CG 3.96Å; A71-E106 WeakPolarHBondContact CB-O 3.47Å; A71-I110 HydrophobicContact CB-CD1 4.29Å; A71-I110 HydrophobicContact CB-CG1 4.12Å
72K98.3Very high97.6Very high1 Ų132.6 Ų32.60%0.00416%0.16CC..Hα-helixtrans-62.5-38.6173-177.556.1168.5-68.10112.1Y70 I75 L76 T109 M113 N231 T309 S310 C327Y70-K72 PolarHBondContact O-N 3.46Å; Y70-K72 VanDerWaalsContact O-N 3.07Å; K72-I75 HydrophobicContact CD-CG2 4.43Å; K72-I75 WeakPolarHBondContact O-CG2 3.35Å; K72-L76 HydrophobicContact CD-CD1 4.2Å; K72-L76 HydrophobicContact CD-CG 4.22Å; K72-L76 HydrophobicContact CG-CD1 4.07Å; K72-L76 WeakPolarHBondContact O-CB 3.42Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.49Å; K72-L76 PolarHBondContact O-N 3.45Å; K72-T109 HydrophobicContact CB-CG2 4.1Å; K72-T109 HydrophobicContact CD-CG2 4.24Å; K72-M113 HydrophobicContact CD-SD 3.55Å; K72-M113 VanDerWaalsContact CD-SD 3.55Å; K72-M113 WeakPolarHBondContact CE-SD 3.47Å; K72-N231 PolarHBondContact NZ-OD1 3.28Å; K72-T309 PolarHBondContact NZ-O 3.41Å; K72-T309 VanDerWaalsContact NZ-O 3.11Å; K72-S310 WeakPolarHBondContact CE-O 3.2Å; K72-S310 PolarHBondContact NZ-O 3.2Å; K72-C327 PolarHBondContact NZ-O 2.92Å
73D98.4Very high97.6Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-71.2-35.7179.3-54.7-63.5000111V69 Y70 A71 A77 L173 P175 F176V69-D73 HydrophobicContact CG1-CB 3.73Å; Y70-D73 PolarHBondContact N-OD2 2.7Å; Y70-D73 WeakPolarHBondContact O-CB 3.32Å; Y70-D73 PolarHBondContact O-N 2.62Å; A71-D73 VanDerWaalsContact C-N 3.31Å; A71-D73 PolarHBondContact O-N 3.47Å; D73-A77 WeakPolarHBondContact O-CB 3.36Å; D73-A77 PolarHBondContact O-N 2.99Å; D73-L173 HydrophobicContact CB-CD2 4.41Å; D73-P175 WeakPolarHBondContact OD1-CA 3.4Å; D73-F176 PolarHBondContact OD1-N 2.8Å
74I98.5Very high97.5Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-56.7-54.6173.6-60.2177.9000110.4I61 L65 Y70 A71 A77 L78 T98 I110 L168 V170 L173I61-I74 HydrophobicContact CD1-CG2 4.22Å; I61-I74 HydrophobicContact CG1-CG2 4.41Å; I61-I74 HydrophobicContact CG2-CD1 4.47Å; I61-I74 HydrophobicContact CG2-CG2 4.25Å; L65-I74 HydrophobicContact CD1-CD1 4.09Å; L65-I74 HydrophobicContact CD2-CD1 3.94Å; L65-I74 HydrophobicContact CD2-CG1 3.92Å; L65-I74 HydrophobicContact CG-CD1 4.29Å; Y70-I74 PolarHBondContact O-N 2.85Å; A71-I74 PolarHBondContact O-N 3.37Å; I74-A77 PolarHBondContact O-N 3.22Å; I74-L78 HydrophobicContact CG2-CD1 4.36Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.22Å; I74-T98 HydrophobicContact CD1-CG2 4.02Å; I74-I110 HydrophobicContact CD1-CD1 4.36Å; I74-I110 HydrophobicContact CG2-CD1 4.48Å; I74-L168 HydrophobicContact CG2-CD2 4.09Å; I74-V170 HydrophobicContact CD1-CG1 4.39Å; I74-V170 HydrophobicContact CG1-CG1 4.22Å; I74-L173 HydrophobicContact CB-CD2 4.38Å; I74-L173 HydrophobicContact CG1-CD2 3.76Å
75I98.3Very high97.5Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-72.2-34.2-174-165.454000111.9A71 K72 L78 I79 F94 M113A71-I75 PolarHBondContact O-N 2.99Å; K72-I75 HydrophobicContact CD-CG2 4.43Å; K72-I75 WeakPolarHBondContact O-CG2 3.35Å; I75-L78 HydrophobicContact CD1-CB 4.42Å; I75-L78 HydrophobicContact CD1-CD1 3.99Å; I75-L78 PolarHBondContact O-N 3.46Å; I75-I79 HydrophobicContact CG1-CD1 4.1Å; I75-I79 WeakPolarHBondContact O-CD1 3.26Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.32Å; I75-I79 PolarHBondContact O-N 3.03Å; I75-F94 HydrophobicContact CD1-CE1 4.03Å; I75-F94 HydrophobicContact CD1-CZ 4.09Å; I75-M113 HydrophobicContact CB-CB 4.33Å; I75-M113 HydrophobicContact CG1-CB 3.5Å; I75-M113 HydrophobicContact CG2-CB 3.87Å; I75-M113 HydrophobicContact CG2-CE 4.33Å; I75-M113 HydrophobicContact CG2-CG 4.32Å; I75-M113 HydrophobicContact CG2-SD 3.7Å
76L98.4Very high97.5Very high1 Ų128.8 Ų28.81%0.00515%0.15CC..Hα-helixtrans-63.7-40.9170.9-74.2177000111.9K72 I79 A80 M113 F176 T178 L326K72-L76 HydrophobicContact CD-CD1 4.2Å; K72-L76 HydrophobicContact CD-CG 4.22Å; K72-L76 HydrophobicContact CG-CD1 4.07Å; K72-L76 WeakPolarHBondContact O-CB 3.42Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.49Å; K72-L76 PolarHBondContact O-N 3.45Å; L76-I79 PolarHBondContact O-N 2.9Å; L76-A80 VanDerWaalsContact O-CB 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.19Å; L76-A80 PolarHBondContact O-N 2.92Å; L76-M113 HydrophobicContact CD2-CE 3.8Å; L76-M113 HydrophobicContact CG-CE 4.48Å; L76-F176 HydrophobicContact CB-CB 3.77Å; L76-F176 HydrophobicContact CB-CD1 4.48Å; L76-F176 HydrophobicContact CB-CG 4.36Å; L76-F176 HydrophobicContact CD1-CB 4.12Å; L76-T178 HydrophobicContact CD2-CG2 4.17Å; L76-L326 HydrophobicContact CD2-CB 4.26Å; L76-L326 HydrophobicContact CD2-CD1 4.43Å
77A98.3Very high97.6Very high7 Ų727.1 Ų27.16%0.05814%0.139CC..Hα-helixtrans-64.7-40.417700000112.3D73 I74 K81 L168 L173 F176D73-A77 WeakPolarHBondContact O-CB 3.36Å; D73-A77 PolarHBondContact O-N 2.99Å; I74-A77 PolarHBondContact O-N 3.22Å; A77-K81 WeakPolarHBondContact O-CB 3.47Å; A77-K81 PolarHBondContact O-N 3.09Å; A77-L168 HydrophobicContact CB-CD2 4.46Å; A77-L173 HydrophobicContact CB-CD1 3.6Å; A77-F176 HydrophobicContact CB-CD1 4.31Å; A77-F176 HydrophobicContact CB-CD2 4Å; A77-F176 HydrophobicContact CB-CE1 3.99Å; A77-F176 HydrophobicContact CB-CE2 3.66Å; A77-F176 HydrophobicContact CB-CG 4.33Å; A77-F176 HydrophobicContact CB-CZ 3.66Å
78L98.1Very high97.6Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-60.5-48.7173.4-74.2171.8000111.7I59 I61 I74 I75 K81 Y82 F94 L168I59-L78 HydrophobicContact CG2-CD1 3.87Å; I59-L78 HydrophobicContact CG2-CD2 4.11Å; I61-L78 HydrophobicContact CD1-CD1 4.07Å; I61-L78 HydrophobicContact CD1-CD2 4.34Å; I74-L78 HydrophobicContact CG2-CD1 4.36Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.22Å; I75-L78 HydrophobicContact CD1-CB 4.42Å; I75-L78 HydrophobicContact CD1-CD1 3.99Å; I75-L78 PolarHBondContact O-N 3.46Å; L78-K81 PolarHBondContact O-N 3.41Å; L78-Y82 HydrophobicContact CD2-CD2 4.21Å; L78-Y82 HydrophobicContact CD2-CE2 3.96Å; L78-Y82 WeakPolarHBondContact O-CD2 3.46Å; L78-Y82 PolarHBondContact O-N 3.15Å; L78-F94 HydrophobicContact CD1-CE1 3.98Å; L78-L168 HydrophobicContact CD2-CB 4.07Å; L78-L168 HydrophobicContact CD2-CD2 3.98Å; L78-L168 HydrophobicContact CG-CD2 3.97Å
79I98.3Very high97.6Very high0 Ų028.3 Ų28.30%017%0.165CC..Hα-helixtrans-66.9-41.4-178.8-61.6160000111I75 L76 K81 G83 T84 F86 M113 E116 P183 E184I75-I79 HydrophobicContact CG1-CD1 4.1Å; I75-I79 WeakPolarHBondContact O-CD1 3.26Å; I75-I79 VanDerWaalsContact O-CG1 3.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.32Å; I75-I79 PolarHBondContact O-N 3.03Å; L76-I79 PolarHBondContact O-N 2.9Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.01Å; I79-G83 CarbonylContact O-C 3.45Å; I79-G83 VanDerWaalsContact O-CA 3.31Å; I79-G83 WeakPolarHBondContact O-CA 3.34Å; I79-G83 PolarHBondContact O-N 3.03Å; I79-T84 HydrophobicContact CG2-CG2 4.21Å; I79-F86 HydrophobicContact CG1-CE1 4.09Å; I79-M113 HydrophobicContact CD1-CE 3.98Å; I79-E116 HydrophobicContact CD1-CB 3.77Å; I79-P183 HydrophobicContact CD1-CB 4.41Å; I79-P183 HydrophobicContact CG2-CB 3.9Å; I79-E184 HydrophobicContact CG2-CB 4.29Å
80A97.8Very high97.6Very high31 Ų3130.2 Ų30.226%0.25617%0.171SC..Hα-helixtrans-63.1-36.4175.400000112.4L76 F176L76-A80 VanDerWaalsContact O-CB 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.19Å; L76-A80 PolarHBondContact O-N 2.92Å; A80-F176 HydrophobicContact CB-CD1 4.29Å; A80-F176 HydrophobicContact CB-CE1 3.93Å
81K97.3Very high97.6Very high120 Ų12029 Ų2952%0.52217%0.17SC..Hα-helixtrans-76.3-39.4-179.1-177.2176.2178.7-171.10113.2A77 L78 I79A77-K81 WeakPolarHBondContact O-CB 3.47Å; A77-K81 PolarHBondContact O-N 3.09Å; L78-K81 PolarHBondContact O-N 3.41Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.01Å
82Y97.5Very high97.6Very high66 Ų6629 Ų2926%0.25917%0.17SC..Hα-helixtrans-111.6-7.1-169.6-63.5-68.5000114.5L78 L166 T167L78-Y82 HydrophobicContact CD2-CD2 4.21Å; L78-Y82 HydrophobicContact CD2-CE2 3.96Å; L78-Y82 WeakPolarHBondContact O-CD2 3.46Å; L78-Y82 PolarHBondContact O-N 3.15Å; Y82-L166 HydrophobicContact CD1-CD1 4.47Å; Y82-L166 HydrophobicContact CD1-CD2 4.08Å; Y82-L166 HydrophobicContact CD2-CD1 3.87Å; Y82-L166 HydrophobicContact CE1-CD2 3.71Å; Y82-L166 HydrophobicContact CE2-CB 4.27Å; Y82-L166 HydrophobicContact CE2-CD1 4.03Å; Y82-L166 HydrophobicContact CE2-CD2 4.3Å; Y82-L166 HydrophobicContact CE2-CG 4.44Å; Y82-L166 HydrophobicContact CG-CD1 4.11Å; Y82-T167 PolarHBondContact OH-O 2.58Å
83G96.9Very high97.6Very high14 Ų1430.1 Ų30.114%0.14418%0.175CC..  trans94.4176.3179.900000113.6I79 D85 F86I79-G83 CarbonylContact O-C 3.45Å; I79-G83 VanDerWaalsContact O-CA 3.31Å; I79-G83 WeakPolarHBondContact O-CA 3.34Å; I79-G83 PolarHBondContact O-N 3.03Å; G83-D85 VanDerWaalsContact C-N 3.28Å; G83-D85 PolarHBondContact O-N 3.36Å; G83-F86 WeakPolarHBondContact O-CD1 3.41Å
84T96.8Very high97.6Very high48 Ų4830.2 Ų30.229%0.29418%0.176SC..SBendtrans-80.2-2.917548.90000114.5I79 E116 G117 G118 E184I79-T84 HydrophobicContact CG2-CG2 4.21Å; T84-E116 WeakPolarHBondContact CA-O 3.31Å; T84-G117 CarbonylContact O-C 3.5Å; T84-G118 PolarHBondContact O-N 2.7Å; T84-E184 HydrophobicContact CG2-CB 3.8Å; T84-E184 HydrophobicContact CG2-CG 4.42Å; T84-E184 WeakPolarHBondContact CG2-OE2 3.33Å; T84-E184 PolarHBondContact N-OE2 2.84Å; T84-E184 PolarHBondContact OG1-OE2 3.24Å
85D96.6Very high97.6Very high107 Ų10732 Ų3257%0.57219%0.187SC*.SBendtrans-118.81.5-17369.9-15.2000114.8G83 G87 V88 G117G83-D85 VanDerWaalsContact C-N 3.28Å; G83-D85 PolarHBondContact O-N 3.36Å; D85-G87 PolarHBondContact O-N 2.98Å; D85-V88 HydrophobicContact CB-CG2 4.01Å; D85-V88 WeakPolarHBondContact O-CB 3.1Å; D85-V88 WeakPolarHBondContact O-CG2 3.32Å; D85-V88 PolarHBondContact O-N 3.32Å; D85-G117 CarbonylContact C-O 3.43Å
86F96.9Very high97.5Very high9 Ų932.5 Ų32.54%0.03919%0.193CC..THydrogen-bonded Turntrans-59.4-29.2-171.471.7-104.3000114.1M57 I59 I79 G83 G117 L166M57-F86 HydrophobicContact CE-CD2 4.31Å; M57-F86 WeakPolarHBondContact CE-O 3.49Å; M57-F86 HydrophobicContact SD-CD2 3.89Å; M57-F86 HydrophobicContact SD-CE2 4.12Å; I59-F86 HydrophobicContact CD1-CE2 3.94Å; I79-F86 HydrophobicContact CG1-CE1 4.09Å; G83-F86 WeakPolarHBondContact O-CD1 3.41Å; F86-G117 VanDerWaalsContact CE1-CA 3.44Å; F86-G117 PolarHBondContact N-O 2.92Å; F86-L166 HydrophobicContact CD2-CD1 3.74Å; F86-L166 HydrophobicContact CE2-CD1 4.14Å; F86-L166 HydrophobicContact CG-CD1 4.37Å
87G97Very high97.4Very high0 Ų037.3 Ų37.30%022%0.216CC..THydrogen-bonded Turntrans-95.6-0.7-178.100000114.6D85 G89 Y90 G117 G118 A119D85-G87 PolarHBondContact O-N 2.98Å; G87-G89 PolarHBondContact O-N 3.13Å; G87-Y90 PolarHBondContact O-N 3.26Å; G87-G117 WeakPolarHBondContact CA-O 3.4Å; G87-G117 PolarHBondContact N-O 3.47Å; G87-G118 CarbonylContact C-O 3.59Å; G87-A119 WeakPolarHBondContact O-CA 3.46Å
88V97.2Very high97.4Very high92 Ų9237.2 Ų37.256%0.55821%0.214SC*.THydrogen-bonded Turntrans-59.8123.5-178.3172.90000110.7D85 Y90 G118D85-V88 HydrophobicContact CB-CG2 4.01Å; D85-V88 WeakPolarHBondContact O-CB 3.1Å; D85-V88 WeakPolarHBondContact O-CG2 3.32Å; D85-V88 PolarHBondContact O-N 3.32Å; V88-Y90 VanDerWaalsContact C-N 3.31Å; V88-Y90 WeakPolarHBondContact O-CD2 3.49Å; V88-Y90 WeakPolarHBondContact O-CE2 3.38Å; V88-G118 WeakPolarHBondContact CA-O 3.42Å
89G96.3Very high97.5Very high52 Ų5237.3 Ų37.354%0.53622%0.215SC..THydrogen-bonded Turntrans82.72.7-178.100000114.9P54 K55 G87P54-G89 WeakPolarHBondContact CA-O 3.44Å; K55-G89 PolarHBondContact N-O 3.44Å; G87-G89 PolarHBondContact O-N 3.13Å
90Y97.5Very high97.4Very high47 Ų4742.8 Ų42.818%0.18424%0.24CC..EExtended strand (participates in β ladder)trans-112.6152.1177.8-59.9-96.4000112.3K55 M57 G87 V88 D163 K164K55-Y90 HydrophobicContact CB-CD1 3.42Å; K55-Y90 VanDerWaalsContact CB-CD1 3.42Å; K55-Y90 HydrophobicContact CB-CE1 3.57Å; K55-Y90 HydrophobicContact CB-CG 4.18Å; K55-Y90 HydrophobicContact CD-CE1 3.99Å; K55-Y90 HydrophobicContact CG-CE1 4.45Å; K55-Y90 CarbonylContact O-C 3.46Å; K55-Y90 WeakPolarHBondContact O-CA 3.18Å; M57-Y90 HydrophobicContact CB-CD1 3.86Å; M57-Y90 HydrophobicContact CB-CG 4Å; M57-Y90 HydrophobicContact CE-CD1 4.06Å; M57-Y90 HydrophobicContact CE-CD2 3.67Å; M57-Y90 HydrophobicContact CE-CE1 4.47Å; M57-Y90 HydrophobicContact CE-CE2 4.14Å; M57-Y90 HydrophobicContact CE-CG 3.65Å; G87-Y90 PolarHBondContact O-N 3.26Å; V88-Y90 VanDerWaalsContact C-N 3.31Å; V88-Y90 WeakPolarHBondContact O-CD2 3.49Å; V88-Y90 WeakPolarHBondContact O-CE2 3.38Å; Y90-D163 HydrophobicContact CE1-CB 3.95Å; Y90-K164 HydrophobicContact CD1-CB 4.47Å; Y90-K164 HydrophobicContact CE1-CB 3.85Å
91G97.2Very high97.4Very high12 Ų1247 Ų4712%0.12426%0.258CS..EExtended strand (participates in β ladder)trans-94121.2154.900000107.7K55 M57K55-G91 PolarHBondContact O-N 3.43Å; M57-G91 PolarHBondContact N-O 3.22Å
92A98.1Very high97.4Very high1 Ų141.5 Ų41.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-97.5116.1-174.500000110.7M57 I59 F94 A119 I121 G122 L123M57-A92 WeakPolarHBondContact O-CA 3.19Å; M57-A92 HydrophobicContact SD-CB 4.49Å; I59-A92 HydrophobicContact CD1-CB 3.88Å; A92-F94 HydrophobicContact CB-CE2 4.36Å; A92-A119 HydrophobicContact CB-CB 3.74Å; A92-I121 PolarHBondContact N-O 2.86Å; A92-G122 CarbonylContact O-C 3.53Å; A92-G122 WeakPolarHBondContact O-CA 3.4Å; A92-L123 PolarHBondContact O-N 2.91Å
93E98.3Very high97.5Very high25 Ų2540.4 Ų40.412%0.11724%0.237CC..EExtended strand (participates in β ladder)trans-96.5122.4171.6-173.4179.1162.800109.9M57 I59 L123 T156 Y162M57-E93 PolarHBondContact O-N 2.71Å; I59-E93 PolarHBondContact N-O 3.21Å; E93-L123 CarbonylContact C-O 3.5Å; E93-L123 WeakPolarHBondContact CA-O 3.39Å; E93-T156 PolarHBondContact OE1-OG1 3.13Å; E93-T156 PolarHBondContact OE2-OG1 3.09Å; E93-Y162 HydrophobicContact CB-CE1 4.18Å; E93-Y162 PolarHBondContact OE1-OH 2.93Å; E93-Y162 PolarHBondContact OE2-OH 3.03Å; E93-Y162 VanDerWaalsContact OE2-OH 3.07Å
94F98.6Very high97.5Very high2 Ų240.1 Ų40.11%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-94.2124.5175.1-59.1-94.9000109.1I59 I75 L78 A92 I99 I110 A114 L123 I124I59-F94 HydrophobicContact CB-CD1 3.9Å; I59-F94 HydrophobicContact CB-CE1 4.26Å; I59-F94 HydrophobicContact CD1-CD1 4.11Å; I59-F94 HydrophobicContact CD1-CE1 3.61Å; I59-F94 HydrophobicContact CD1-CZ 3.91Å; I59-F94 HydrophobicContact CG2-CD1 3.91Å; I59-F94 HydrophobicContact CG2-CE1 4.14Å; I59-F94 WeakPolarHBondContact O-CA 3.26Å; I75-F94 HydrophobicContact CD1-CE1 4.03Å; I75-F94 HydrophobicContact CD1-CZ 4.09Å; L78-F94 HydrophobicContact CD1-CE1 3.98Å; A92-F94 HydrophobicContact CB-CE2 4.36Å; F94-I99 HydrophobicContact CB-CD1 4.09Å; F94-I99 HydrophobicContact CB-CG1 4.17Å; F94-I110 HydrophobicContact CB-CG2 4.38Å; F94-I110 HydrophobicContact CD1-CG2 3.44Å; F94-I110 VanDerWaalsContact CD1-CG2 3.44Å; F94-I110 HydrophobicContact CD2-CG2 3.8Å; F94-I110 HydrophobicContact CE1-CG2 3.45Å; F94-I110 VanDerWaalsContact CE1-CG2 3.45Å; F94-I110 HydrophobicContact CE2-CG2 3.82Å; F94-I110 HydrophobicContact CG-CG2 3.61Å; F94-I110 HydrophobicContact CZ-CG2 3.64Å; F94-A114 HydrophobicContact CE2-CB 4.02Å; F94-A114 HydrophobicContact CZ-CB 4.12Å; F94-L123 PolarHBondContact N-O 3.34Å; F94-I124 HydrophobicContact CB-CD1 4.36Å; F94-I124 HydrophobicContact CB-CG1 3.88Å
95C97.6Very high97.5Very high37 Ų3739.2 Ų39.225%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-140.7172.5-175.666.10000112.2I59 K60 I61I59-C95 PolarHBondContact O-N 3.45Å; K60-C95 CarbonylContact C-O 3.52Å; K60-C95 WeakPolarHBondContact CA-O 3.13Å; I61-C95 PolarHBondContact N-O 2.95Å
96G97Very high97.6Very high12 Ų1236.7 Ų36.712%0.12421%0.209CC..SBendtrans105162.5178.900000113.5I61 T98 I99 E100I61-G96 CarbonylContact O-C 3.38Å; I61-G96 WeakPolarHBondContact O-CA 3.45Å; G96-T98 PolarHBondContact O-N 2.87Å; G96-I99 WeakPolarHBondContact O-CB 3.44Å; G96-I99 PolarHBondContact O-N 3.42Å; G96-E100 PolarHBondContact O-N 2.82Å; G96-E100 VanDerWaalsContact O-N 3.14Å
97E97Very high97.7Very high102 Ų10236.3 Ų36.348%0.47721%0.207SC..Hα-helixtrans-54.2-31.2-170.870.3-176.1159.600113.4G63 N101G63-E97 PolarHBondContact N-OE1 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.36Å; E97-N101 VanDerWaalsContact O-CG 3.29Å; E97-N101 PolarHBondContact O-N 3.32Å; E97-N101 PolarHBondContact O-ND2 2.93Å
98T98.4Very high97.7Very high4 Ų436.4 Ų36.43%0.02521%0.208CC..Hα-helixtrans-65.4-47.6177.6-49.30000110.1I61 T62 G63 L65 I74 G96 N101 L102 V170I61-T98 HydrophobicContact CG2-CG2 3.89Å; I61-T98 PolarHBondContact O-OG1 3.32Å; T62-T98 WeakPolarHBondContact CA-OG1 3.33Å; T62-T98 PolarHBondContact N-OG1 3.31Å; T62-T98 PolarHBondContact O-OG1 3.42Å; G63-T98 PolarHBondContact N-OG1 3.17Å; G63-T98 PolarHBondContact O-OG1 2.82Å; L65-T98 HydrophobicContact CG-CG2 4.15Å; I74-T98 HydrophobicContact CD1-CG2 4.02Å; G96-T98 PolarHBondContact O-N 2.87Å; T98-N101 PolarHBondContact O-N 2.91Å; T98-N101 VanDerWaalsContact O-N 3.15Å; T98-L102 WeakPolarHBondContact O-CG 3.5Å; T98-L102 PolarHBondContact O-N 3.23Å; T98-L102 VanDerWaalsContact O-N 3.16Å; T98-V170 HydrophobicContact CG2-CG1 4.43Å; T98-V170 HydrophobicContact CG2-CG2 3.72Å
99I98.4Very high97.8Very high3 Ų332 Ų322%0.01518%0.181CC..Hα-helixtrans-63.6-42.1179.8-61.1-59.5000111.2I61 F94 G96 N101 L102 R107 I110 I124I61-I99 HydrophobicContact CB-CD1 4.24Å; I61-I99 HydrophobicContact CB-CG1 4.05Å; I61-I99 HydrophobicContact CG1-CD1 3.91Å; I61-I99 HydrophobicContact CG1-CG1 4.01Å; F94-I99 HydrophobicContact CB-CD1 4.09Å; F94-I99 HydrophobicContact CB-CG1 4.17Å; G96-I99 WeakPolarHBondContact O-CB 3.44Å; G96-I99 PolarHBondContact O-N 3.42Å; I99-N101 VanDerWaalsContact C-N 3.26Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-L102 HydrophobicContact CD1-CD1 4.06Å; I99-L102 WeakPolarHBondContact O-CB 3.34Å; I99-L102 PolarHBondContact O-N 3.27Å; I99-R107 PolarHBondContact O-NE 3.26Å; I99-R107 PolarHBondContact O-NH2 3.29Å; I99-I110 HydrophobicContact CD1-CD1 3.51Å; I99-I124 HydrophobicContact CG2-CB 4.43Å; I99-I124 HydrophobicContact CG2-CD1 3.85Å; I99-I124 HydrophobicContact CG2-CG1 3.93Å; I99-I124 HydrophobicContact CG2-CG2 3.61Å
100E97.4Very high97.9Very high115 Ų11529.6 Ų29.654%0.53716%0.156SC..Hα-helixtrans-59.1-39.2174.6-68.4166.1-156.500110.8G96 L102 R107 K129G96-E100 PolarHBondContact O-N 2.82Å; G96-E100 VanDerWaalsContact O-N 3.14Å; E100-L102 PolarHBondContact O-N 3.4Å; E100-R107 PolarHBondContact O-NH2 2.97Å; E100-K129 PolarHBondContact O-NZ 2.83Å
101N97.7Very high97.9Very high118 Ų11827.3 Ų27.363%0.63115%0.147SC*.Hα-helixtrans-76.4-18.1179.8-77.3-48.9000115E97 T98 I99 K129E97-N101 WeakPolarHBondContact O-CB 3.36Å; E97-N101 VanDerWaalsContact O-CG 3.29Å; E97-N101 PolarHBondContact O-N 3.32Å; E97-N101 PolarHBondContact O-ND2 2.93Å; T98-N101 PolarHBondContact O-N 2.91Å; T98-N101 VanDerWaalsContact O-N 3.15Å; I99-N101 VanDerWaalsContact C-N 3.26Å; I99-N101 PolarHBondContact O-N 3.17Å; N101-K129 PolarHBondContact O-NZ 3.44Å
102L98.1Very high98Very high6 Ų626.8 Ų26.83%0.03114%0.141CC..SBendtrans-64.9154.9175.4-64.4-179.6000112.7L65 A71 T98 I99 E100 E106 R107 I110 K129L65-L102 HydrophobicContact CD1-CD2 3.77Å; A71-L102 HydrophobicContact CB-CD1 4.21Å; A71-L102 HydrophobicContact CB-CD2 4.47Å; T98-L102 WeakPolarHBondContact O-CG 3.5Å; T98-L102 PolarHBondContact O-N 3.23Å; T98-L102 VanDerWaalsContact O-N 3.16Å; I99-L102 HydrophobicContact CD1-CD1 4.06Å; I99-L102 WeakPolarHBondContact O-CB 3.34Å; I99-L102 PolarHBondContact O-N 3.27Å; E100-L102 PolarHBondContact O-N 3.4Å; L102-E106 HydrophobicContact CB-CB 3.86Å; L102-E106 HydrophobicContact CD1-CB 4.22Å; L102-E106 HydrophobicContact CD2-CB 4.06Å; L102-E106 HydrophobicContact CD2-CG 4.46Å; L102-E106 HydrophobicContact CG-CB 4.24Å; L102-R107 HydrophobicContact CB-CG 4Å; L102-I110 HydrophobicContact CD1-CD1 3.38Å; L102-I110 HydrophobicContact CD1-CG1 4.5Å; L102-K129 VanDerWaalsContact O-CD 3.3Å; L102-K129 WeakPolarHBondContact O-CD 3.29Å; L102-K129 PolarHBondContact O-NZ 3.04Å
103S97.7Very high97.9Very high42 Ų4226.7 Ų26.729%0.29414%0.141SC..  trans-73.8164.1164.967.30000111.5E105 E106 R107S103-E105 PolarHBondContact O-N 3.44Å; S103-E106 VanDerWaalsContact CB-OE2 3.28Å; S103-E106 WeakPolarHBondContact CB-OE2 3.28Å; S103-E106 PolarHBondContact N-OE2 2.92Å; S103-E106 PolarHBondContact O-N 3.45Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.07Å; S103-E106 PolarHBondContact OG-OE2 2.5Å; S103-R107 WeakPolarHBondContact O-CG 3.26Å; S103-R107 PolarHBondContact O-N 3.15Å
104M98Very high97.9Very high9 Ų925.5 Ų25.54%0.04414%0.135CC..Hα-helixtrans-59.8-32.5174-73.6-54.3-62.700113.2A27 F28 M108 T130 Y133A27-M104 WeakPolarHBondContact O-CE 3.33Å; F28-M104 HydrophobicContact CD1-CE 3.67Å; F28-M104 HydrophobicContact CD2-CE 3.77Å; F28-M104 HydrophobicContact CE1-CE 3.54Å; F28-M104 HydrophobicContact CE2-CE 3.63Å; F28-M104 HydrophobicContact CG-CE 3.75Å; F28-M104 HydrophobicContact CZ-CE 3.49Å; F28-M104 VanDerWaalsContact CZ-CE 3.49Å; M104-M108 WeakPolarHBondContact O-CB 2.82Å; M104-M108 WeakPolarHBondContact O-CE 3.24Å; M104-M108 WeakPolarHBondContact O-CG 3.38Å; M104-M108 PolarHBondContact O-N 3.2Å; M104-T130 HydrophobicContact CE-CG2 4.13Å; M104-T130 HydrophobicContact SD-CG2 4.43Å; M104-T130 PolarHBondContact SD-OG1 3.49Å; M104-Y133 HydrophobicContact CB-CD2 3.6Å; M104-Y133 HydrophobicContact CB-CE2 4.06Å; M104-Y133 HydrophobicContact CB-CG 4.01Å; M104-Y133 HydrophobicContact CG-CD2 3.96Å; M104-Y133 HydrophobicContact CG-CG 3.94Å
105E97.2Very high97.8Very high29 Ų2927.5 Ų27.514%0.13615%0.146CC..Hα-helixtrans-70.8-34.6178.9-58.2-161.4156.900112.4S103 M108 T109 Y133 R233 L234 S235S103-E105 PolarHBondContact O-N 3.44Å; E105-M108 HydrophobicContact CB-CE 4.4Å; E105-M108 HydrophobicContact CG-CE 4.07Å; E105-T109 PolarHBondContact O-N 3.37Å; E105-T109 PolarHBondContact O-OG1 3.11Å; E105-Y133 HydrophobicContact CG-CE2 4.49Å; E105-R233 HydrophobicContact CB-CB 4.33Å; E105-R233 HydrophobicContact CG-CB 4.15Å; E105-R233 VanDerWaalsContact O-CZ 3.31Å; E105-R233 PolarHBondContact O-NE 3.42Å; E105-R233 VanDerWaalsContact O-NE 3.13Å; E105-R233 PolarHBondContact O-NH2 3.36Å; E105-R233 WeakPolarHBondContact OE1-CB 2.98Å; E105-R233 WeakPolarHBondContact OE2-CB 3.3Å; E105-L234 PolarHBondContact OE2-N 2.87Å; E105-S235 WeakPolarHBondContact CB-OG 3.38Å; E105-S235 WeakPolarHBondContact OE2-CA 3.09Å; E105-S235 WeakPolarHBondContact OE2-CB 3.49Å; E105-S235 PolarHBondContact OE2-N 3.49Å; E105-S235 PolarHBondContact OE2-OG 2.86Å
106E98.1Very high97.8Very high53 Ų5326.2 Ų26.225%0.24814%0.136CC..Hα-helixtrans-72.2-41.5173.2-75.8167.8123.500112.4A71 L102 S103 M108 T109 I110A71-E106 HydrophobicContact CB-CB 3.65Å; A71-E106 HydrophobicContact CB-CG 3.96Å; A71-E106 WeakPolarHBondContact CB-O 3.47Å; L102-E106 HydrophobicContact CB-CB 3.86Å; L102-E106 HydrophobicContact CD1-CB 4.22Å; L102-E106 HydrophobicContact CD2-CB 4.06Å; L102-E106 HydrophobicContact CD2-CG 4.46Å; L102-E106 HydrophobicContact CG-CB 4.24Å; S103-E106 VanDerWaalsContact CB-OE2 3.28Å; S103-E106 WeakPolarHBondContact CB-OE2 3.28Å; S103-E106 PolarHBondContact N-OE2 2.92Å; S103-E106 PolarHBondContact O-N 3.45Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.07Å; S103-E106 PolarHBondContact OG-OE2 2.5Å; E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 3.47Å; E106-T109 VanDerWaalsContact O-CB 3.29Å; E106-T109 WeakPolarHBondContact O-CB 3.31Å; E106-T109 PolarHBondContact O-N 3.04Å; E106-I110 PolarHBondContact O-N 3.48Å
107R98.5Very high97.8Very high1 Ų125.7 Ų25.70%0.00413%0.13CC..Hα-helixtrans-58.9-42.3172.6-68.8177.7-174.1173.83.2111.6A27 I99 E100 L102 S103 T109 I110 C111 I124 D127 T130A27-R107 HydrophobicContact CB-CB 3.91Å; I99-R107 PolarHBondContact O-NE 3.26Å; I99-R107 PolarHBondContact O-NH2 3.29Å; E100-R107 PolarHBondContact O-NH2 2.97Å; L102-R107 HydrophobicContact CB-CG 4Å; S103-R107 WeakPolarHBondContact O-CG 3.26Å; S103-R107 PolarHBondContact O-N 3.15Å; R107-T109 VanDerWaalsContact C-N 3.29Å; R107-T109 PolarHBondContact O-N 3.02Å; R107-I110 PolarHBondContact O-N 3.28Å; R107-C111 PolarHBondContact O-N 3.2Å; R107-I124 HydrophobicContact CB-CD1 3.65Å; R107-I124 HydrophobicContact CG-CD1 3.81Å; R107-D127 IonicContact CZ-OD1 3.31Å; R107-D127 IonicContact CZ-OD2 3.47Å; R107-D127 VanDerWaalsContact NH1-CG 3.28Å; R107-D127 IonicContact NH1-OD1 3.63Å; R107-D127 PolarHBondContact NH1-OD1 2.93Å; R107-D127 IonicContact NH1-OD2 3.81Å; R107-D127 PolarHBondContact NH1-OD2 3.46Å; R107-D127 IonicContact NH2-OD1 3.75Å; R107-D127 IonicContact NH2-OD2 2.62Å; R107-D127 PolarHBondContact NH2-OD2 3.47Å; R107-T130 PolarHBondContact NH1-OG1 2.89Å
108M98.3Very high97.7Very high2 Ų221.7 Ų21.71%0.0112%0.116CC..Hα-helixtrans-59.6-37173.4-79.7-171.5-76.500112.2P4 T24 A27 F28 M104 E105 E106 N112 Y133 R233P4-M108 HydrophobicContact CB-SD 3.96Å; P4-M108 HydrophobicContact CG-SD 3.91Å; T24-M108 HydrophobicContact CG2-CB 3.82Å; T24-M108 HydrophobicContact CG2-CG 3.88Å; T24-M108 HydrophobicContact CG2-SD 4.24Å; A27-M108 HydrophobicContact CB-CB 4.43Å; A27-M108 HydrophobicContact CB-CG 3.85Å; F28-M108 HydrophobicContact CE2-CG 3.93Å; F28-M108 HydrophobicContact CE2-SD 3.78Å; F28-M108 HydrophobicContact CZ-SD 4.3Å; M104-M108 WeakPolarHBondContact O-CB 2.82Å; M104-M108 WeakPolarHBondContact O-CE 3.24Å; M104-M108 WeakPolarHBondContact O-CG 3.38Å; M104-M108 PolarHBondContact O-N 3.2Å; E105-M108 HydrophobicContact CB-CE 4.4Å; E105-M108 HydrophobicContact CG-CE 4.07Å; E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 3.47Å; M108-N112 WeakPolarHBondContact O-CB 3.15Å; M108-N112 PolarHBondContact O-N 3.48Å; M108-Y133 HydrophobicContact CE-CE2 4.47Å; M108-R233 VanDerWaalsContact CE-CD 3.46Å
109T98.2Very high97.6Very high1 Ų121.5 Ų21.51%0.00612%0.115CC..Hα-helixtrans-60.1-46173.9-62.30000111.4K72 E105 E106 R107 N112 M113 T230 N231 R233K72-T109 HydrophobicContact CB-CG2 4.1Å; K72-T109 HydrophobicContact CD-CG2 4.24Å; E105-T109 PolarHBondContact O-N 3.37Å; E105-T109 PolarHBondContact O-OG1 3.11Å; E106-T109 VanDerWaalsContact O-CB 3.29Å; E106-T109 WeakPolarHBondContact O-CB 3.31Å; E106-T109 PolarHBondContact O-N 3.04Å; R107-T109 VanDerWaalsContact C-N 3.29Å; R107-T109 PolarHBondContact O-N 3.02Å; T109-N112 PolarHBondContact O-N 3.08Å; T109-M113 PolarHBondContact O-N 2.98Å; T109-T230 HydrophobicContact CG2-CG2 4.14Å; T109-T230 PolarHBondContact OG1-O 3.28Å; T109-T230 VanDerWaalsContact OG1-O 3.09Å; T109-N231 PolarHBondContact OG1-ND2 3Å; T109-R233 PolarHBondContact OG1-NH2 3.13Å
110I98.4Very high97.3Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-64.7-53.2-179.1-65.6179.2000110.7A71 I74 F94 I99 L102 E106 R107 N112 M113 A114A71-I110 HydrophobicContact CB-CD1 4.29Å; A71-I110 HydrophobicContact CB-CG1 4.12Å; I74-I110 HydrophobicContact CD1-CD1 4.36Å; I74-I110 HydrophobicContact CG2-CD1 4.48Å; F94-I110 HydrophobicContact CB-CG2 4.38Å; F94-I110 HydrophobicContact CD1-CG2 3.44Å; F94-I110 VanDerWaalsContact CD1-CG2 3.44Å; F94-I110 HydrophobicContact CD2-CG2 3.8Å; F94-I110 HydrophobicContact CE1-CG2 3.45Å; F94-I110 VanDerWaalsContact CE1-CG2 3.45Å; F94-I110 HydrophobicContact CE2-CG2 3.82Å; F94-I110 HydrophobicContact CG-CG2 3.61Å; F94-I110 HydrophobicContact CZ-CG2 3.64Å; I99-I110 HydrophobicContact CD1-CD1 3.51Å; L102-I110 HydrophobicContact CD1-CD1 3.38Å; L102-I110 HydrophobicContact CD1-CG1 4.5Å; E106-I110 PolarHBondContact O-N 3.48Å; R107-I110 PolarHBondContact O-N 3.28Å; I110-N112 VanDerWaalsContact C-N 3.29Å; I110-N112 PolarHBondContact O-N 2.57Å; I110-M113 PolarHBondContact O-N 3.47Å; I110-M113 VanDerWaalsContact O-N 3.14Å; I110-A114 PolarHBondContact O-N 3.18Å; I110-A114 VanDerWaalsContact O-N 3.14Å
111C98.3Very high97.3Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-66.3-30.9-179.3-65.50000112.6A23 A27 R107 M113 A114 I124A23-C111 CarbonylContact C-O 3.56Å; A23-C111 WeakPolarHBondContact CB-O 3.18Å; A23-C111 WeakPolarHBondContact O-CB 3.3Å; A27-C111 VanDerWaalsContact CA-SG 3.56Å; A27-C111 HydrophobicContact CB-CB 4.11Å; A27-C111 PolarHBondContact N-SG 3.42Å; A27-C111 VanDerWaalsContact N-SG 3.37Å; R107-C111 PolarHBondContact O-N 3.2Å; C111-M113 VanDerWaalsContact C-N 3.32Å; C111-M113 PolarHBondContact O-N 2.88Å; C111-A114 PolarHBondContact O-N 2.95Å; C111-I124 VanDerWaalsContact SG-CD1 3.57Å
112N97.6Very high97.3Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-57.3-49.1172.2-175.8-89.3000110H21 T24 M108 T109 I110 A114 I115 T230 N311H21-N112 PolarHBondContact CD2-O 3Å; H21-N112 VanDerWaalsContact CD2-O 3.24Å; H21-N112 PolarHBondContact CD2-OD1 2.78Å; T24-N112 HydrophobicContact CG2-CB 4.37Å; T24-N112 WeakPolarHBondContact OG1-CB 3.4Å; T24-N112 PolarHBondContact OG1-ND2 2.69Å; M108-N112 WeakPolarHBondContact O-CB 3.15Å; M108-N112 PolarHBondContact O-N 3.48Å; T109-N112 PolarHBondContact O-N 3.08Å; I110-N112 VanDerWaalsContact C-N 3.29Å; I110-N112 PolarHBondContact O-N 2.57Å; N112-A114 VanDerWaalsContact C-N 3.35Å; N112-A114 PolarHBondContact O-N 3.13Å; N112-I115 WeakPolarHBondContact O-CG2 3.33Å; N112-T230 PolarHBondContact OD1-OG1 2.81Å; N112-N311 PolarHBondContact OD1-ND2 2.96Å
113M97.8Very high97.3Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-87.34.4-174.3-71.7-172.469.900115.1K72 I75 L76 I79 T109 I110 C111 I115 E116 T230 N311K72-M113 HydrophobicContact CD-SD 3.55Å; K72-M113 VanDerWaalsContact CD-SD 3.55Å; K72-M113 WeakPolarHBondContact CE-SD 3.47Å; I75-M113 HydrophobicContact CB-CB 4.33Å; I75-M113 HydrophobicContact CG1-CB 3.5Å; I75-M113 HydrophobicContact CG2-CB 3.87Å; I75-M113 HydrophobicContact CG2-CE 4.33Å; I75-M113 HydrophobicContact CG2-CG 4.32Å; I75-M113 HydrophobicContact CG2-SD 3.7Å; L76-M113 HydrophobicContact CD2-CE 3.8Å; L76-M113 HydrophobicContact CG-CE 4.48Å; I79-M113 HydrophobicContact CD1-CE 3.98Å; T109-M113 PolarHBondContact O-N 2.98Å; I110-M113 PolarHBondContact O-N 3.47Å; I110-M113 VanDerWaalsContact O-N 3.14Å; C111-M113 VanDerWaalsContact C-N 3.32Å; C111-M113 PolarHBondContact O-N 2.88Å; M113-I115 PolarHBondContact O-N 3.16Å; M113-E116 WeakPolarHBondContact CA-OE2 3.21Å; M113-E116 WeakPolarHBondContact O-CB 3.41Å; M113-E116 PolarHBondContact O-N 3.01Å; M113-E116 VanDerWaalsContact O-N 3.11Å; M113-T230 HydrophobicContact CG-CG2 3.86Å; M113-T230 HydrophobicContact SD-CG2 3.81Å; M113-N311 HydrophobicContact CE-CB 4.47Å; M113-N311 HydrophobicContact CG-CB 3.83Å; M113-N311 HydrophobicContact SD-CB 4.25Å
114A97.3Very high97.3Very high0 Ų014.6 Ų14.60%08%0.075CC..G310 helixtrans-57.3-35.9172.100000111.9F94 I110 C111 N112 E116 G117 G118 A119F94-A114 HydrophobicContact CE2-CB 4.02Å; F94-A114 HydrophobicContact CZ-CB 4.12Å; I110-A114 PolarHBondContact O-N 3.18Å; I110-A114 VanDerWaalsContact O-N 3.14Å; C111-A114 PolarHBondContact O-N 2.95Å; N112-A114 VanDerWaalsContact C-N 3.35Å; N112-A114 PolarHBondContact O-N 3.13Å; A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.14Å; A114-G117 PolarHBondContact O-N 3.2Å; A114-G117 VanDerWaalsContact O-N 3.16Å; A114-G118 PolarHBondContact O-N 2.77Å; A114-A119 CarbonylContact C-O 3.48Å; A114-A119 HydrophobicContact CB-CB 4.34Å; A114-A119 PolarHBondContact O-N 3.38Å
115I96.6Very high97.3Very high44 Ų4416 Ų1623%0.2269%0.087CC..G310 helixtrans-68.8-26.9178.5-170.564.2000113H21 N112 M113 G117 G118 A119H21-I115 WeakPolarHBondContact NE2-CG2 3.3Å; N112-I115 WeakPolarHBondContact O-CG2 3.33Å; M113-I115 PolarHBondContact O-N 3.16Å; I115-G117 VanDerWaalsContact C-N 3.25Å; I115-G117 PolarHBondContact O-N 3.15Å; I115-G118 WeakPolarHBondContact O-CA 3.35Å; I115-G118 PolarHBondContact O-N 3.39Å; I115-A119 VanDerWaalsContact CA-O 3.28Å; I115-A119 WeakPolarHBondContact CA-O 3.42Å; I115-A119 PolarHBondContact N-O 3.25Å
116E97Very high97.4Very high10 Ų1015.3 Ų15.35%0.0479%0.086CC..G310 helixtrans-71.4-20.2173.6-82.161.3-139.900113.1H21 I79 T84 M113 A114 P183 N311 R312H21-E116 IonicContact CD2-OE2 3.35Å; H21-E116 IonicContact CE1-OE1 2.99Å; H21-E116 PolarHBondContact CE1-OE1 3.46Å; H21-E116 VanDerWaalsContact CE1-OE1 3.26Å; H21-E116 VanDerWaalsContact NE2-CD 3.27Å; H21-E116 IonicContact NE2-OE1 3.99Å; H21-E116 PolarHBondContact NE2-OE1 2.95Å; H21-E116 IonicContact NE2-OE2 3.76Å; H21-E116 PolarHBondContact NE2-OE2 3.16Å; I79-E116 HydrophobicContact CD1-CB 3.77Å; T84-E116 WeakPolarHBondContact CA-O 3.31Å; M113-E116 WeakPolarHBondContact CA-OE2 3.21Å; M113-E116 WeakPolarHBondContact O-CB 3.41Å; M113-E116 PolarHBondContact O-N 3.01Å; M113-E116 VanDerWaalsContact O-N 3.11Å; A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.14Å; E116-P183 HydrophobicContact CB-CG 4.25Å; E116-P183 HydrophobicContact CG-CG 3.99Å; E116-N311 WeakPolarHBondContact CG-O 3.21Å; E116-R312 HydrophobicContact CG-CG 4.47Å; E116-R312 IonicContact OE1-CZ 3.15Å; E116-R312 IonicContact OE1-NE 2.67Å; E116-R312 PolarHBondContact OE1-NE 3.06Å; E116-R312 IonicContact OE1-NH2 2.84Å
117G96.8Very high97.3Very high0 Ų014.3 Ų14.30%08%0.082CC..G310 helixtrans-90.74.7165.300000113.9T84 D85 F86 G87 A114 I115T84-G117 CarbonylContact O-C 3.5Å; D85-G117 CarbonylContact C-O 3.43Å; F86-G117 VanDerWaalsContact CE1-CA 3.44Å; F86-G117 PolarHBondContact N-O 2.92Å; G87-G117 WeakPolarHBondContact CA-O 3.4Å; G87-G117 PolarHBondContact N-O 3.47Å; A114-G117 PolarHBondContact O-N 3.2Å; A114-G117 VanDerWaalsContact O-N 3.16Å; I115-G117 VanDerWaalsContact C-N 3.25Å; I115-G117 PolarHBondContact O-N 3.15Å
118G96Very high97.3Very high18 Ų1819.7 Ų19.719%0.18611%0.107CC..THydrogen-bonded Turntrans89-4.3178.600000115.7T84 G87 V88 A114 I115 K120T84-G118 PolarHBondContact O-N 2.7Å; G87-G118 CarbonylContact C-O 3.59Å; V88-G118 WeakPolarHBondContact CA-O 3.42Å; A114-G118 PolarHBondContact O-N 2.77Å; I115-G118 WeakPolarHBondContact O-CA 3.35Å; I115-G118 PolarHBondContact O-N 3.39Å; G118-K120 PolarHBondContact O-N 3.02Å
119A96.1Very high97.3Very high0 Ų022.9 Ų22.90%012%0.121CC..  trans-78.6115.1176.800000110.5G87 A92 A114 I115 I121G87-A119 WeakPolarHBondContact O-CA 3.46Å; A92-A119 HydrophobicContact CB-CB 3.74Å; A114-A119 CarbonylContact C-O 3.48Å; A114-A119 HydrophobicContact CB-CB 4.34Å; A114-A119 PolarHBondContact O-N 3.38Å; I115-A119 VanDerWaalsContact CA-O 3.28Å; I115-A119 WeakPolarHBondContact CA-O 3.42Å; I115-A119 PolarHBondContact N-O 3.25Å; A119-I121 PolarHBondContact O-N 3Å
120K92.6Very high97.3Very high73 Ų7322.8 Ų22.832%0.31712%0.121SC..SBendtrans-63.5-26.2178.7-177.9172.6-178.2-177.10112.6F33 G34 G118F33-K120 HydrophobicContact CB-CD 4.2Å; F33-K120 HydrophobicContact CB-CG 3.65Å; F33-K120 WeakPolarHBondContact CB-O 3.31Å; F33-K120 HydrophobicContact CD2-CD 4.42Å; F33-K120 HydrophobicContact CG-CD 4.48Å; F33-K120 HydrophobicContact CG-CG 4.41Å; G34-K120 WeakPolarHBondContact O-CE 3.45Å; G34-K120 PolarHBondContact O-NZ 3.2Å; G118-K120 PolarHBondContact O-N 3.02Å
121I97.2Very high97.3Very high14 Ų1423.4 Ų23.47%0.07212%0.123CC..EExtended strand (participates in β ladder)trans-124.3126.9179.9-65.9149.7000107.8L31 F33 P54 A92 A119 L123L31-I121 HydrophobicContact CD1-CD1 3.54Å; L31-I121 HydrophobicContact CD1-CG1 4Å; L31-I121 HydrophobicContact CD1-CG2 4.03Å; F33-I121 HydrophobicContact CB-CG1 4.14Å; F33-I121 HydrophobicContact CD1-CD1 4.3Å; F33-I121 HydrophobicContact CD1-CG1 4.08Å; P54-I121 HydrophobicContact CG-CD1 4.01Å; A92-I121 PolarHBondContact N-O 2.86Å; A119-I121 PolarHBondContact O-N 3Å; I121-L123 HydrophobicContact CG2-CB 4.43Å
122G97.8Very high97.2Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-114125.416300000108.8G26 A92G26-G122 CarbonylContact C-O 3.58Å; G26-G122 WeakPolarHBondContact CA-O 3.22Å; A92-G122 CarbonylContact O-C 3.53Å; A92-G122 WeakPolarHBondContact O-CA 3.4Å
123L97.4Very high97.2Very high47 Ų4732 Ų3225%0.24616%0.162CC..EExtended strand (participates in β ladder)trans-126.9139.8-171.9-172.270.1000110.5A30 A92 E93 F94 I121A30-L123 WeakPolarHBondContact O-CD1 3.28Å; A92-L123 PolarHBondContact O-N 2.91Å; E93-L123 CarbonylContact C-O 3.5Å; E93-L123 WeakPolarHBondContact CA-O 3.39Å; F94-L123 PolarHBondContact N-O 3.34Å; I121-L123 HydrophobicContact CG2-CB 4.43Å
124I98.4Very high97.2Very high5 Ų532 Ų323%0.02616%0.162CC..  trans-132.5132169.6-67.4168.1000107.3G26 G29 F94 I99 R107 C111G26-I124 PolarHBondContact O-N 3.18Å; G29-I124 WeakPolarHBondContact CA-O 3.41Å; G29-I124 PolarHBondContact N-O 3.27Å; F94-I124 HydrophobicContact CB-CD1 4.36Å; F94-I124 HydrophobicContact CB-CG1 3.88Å; I99-I124 HydrophobicContact CG2-CB 4.43Å; I99-I124 HydrophobicContact CG2-CD1 3.85Å; I99-I124 HydrophobicContact CG2-CG1 3.93Å; I99-I124 HydrophobicContact CG2-CG2 3.61Å; R107-I124 HydrophobicContact CB-CD1 3.65Å; R107-I124 HydrophobicContact CG-CD1 3.81Å; C111-I124 VanDerWaalsContact SG-CD1 3.57Å
125A97.7Very high97.2Very high38 Ų3834 Ų3431%0.31418%0.179SC..  trans-58136.9177.800000110.8
126P98Very high97.1Very high16 Ų1635.8 Ų35.810%0.10421%0.209CC..  trans-74.5139.4-18035.4-37.1000110.8P11 T130 F131 L154P11-P126 HydrophobicContact CB-CB 3.86Å; P11-P126 HydrophobicContact CB-CG 3.91Å; P11-P126 HydrophobicContact CG-CB 3.67Å; P11-P126 HydrophobicContact CG-CG 4.26Å; P126-T130 HydrophobicContact CB-CG2 3.99Å; P126-F131 HydrophobicContact CB-CE1 3.91Å; P126-F131 HydrophobicContact CB-CZ 4.49Å; P126-L154 VanDerWaalsContact CD-O 3.28Å; P126-L154 WeakPolarHBondContact CD-O 3.43Å; P126-L154 HydrophobicContact CG-CB 4.01Å
127D97.7Very high97Very high32 Ų3239 Ų3917%0.17122%0.22CC..  trans-136.3-170.1177.969.6-1.7000111R107 K129 T130 F131R107-D127 IonicContact CZ-OD1 3.31Å; R107-D127 IonicContact CZ-OD2 3.47Å; R107-D127 VanDerWaalsContact NH1-CG 3.28Å; R107-D127 IonicContact NH1-OD1 3.63Å; R107-D127 PolarHBondContact NH1-OD1 2.93Å; R107-D127 IonicContact NH1-OD2 3.81Å; R107-D127 PolarHBondContact NH1-OD2 3.46Å; R107-D127 IonicContact NH2-OD1 3.75Å; R107-D127 IonicContact NH2-OD2 2.62Å; R107-D127 PolarHBondContact NH2-OD2 3.47Å; D127-K129 PolarHBondContact O-N 2.89Å; D127-K129 WeakPolarHBondContact OD1-CB 3.32Å; D127-K129 PolarHBondContact OD1-N 2.9Å; D127-T130 PolarHBondContact N-OG1 3.25Å; D127-T130 WeakPolarHBondContact O-CA 3.07Å; D127-T130 VanDerWaalsContact O-CB 3.31Å; D127-T130 WeakPolarHBondContact O-CB 3.35Å; D127-T130 PolarHBondContact O-N 3.24Å; D127-T130 PolarHBondContact OD1-N 2.75Å; D127-T130 VanDerWaalsContact OD1-N 3.15Å; D127-T130 PolarHBondContact OD1-OG1 3.08Å; D127-F131 WeakPolarHBondContact O-CD1 3.15Å; D127-F131 VanDerWaalsContact O-CD2 3.32Å; D127-F131 WeakPolarHBondContact O-CD2 3.45Å; D127-F131 WeakPolarHBondContact O-CG 3.19Å; D127-F131 PolarHBondContact O-N 3.46Å
128E97.6Very high97Very high114 Ų11445.8 Ų45.853%0.53325%0.252SS..Hα-helixtrans-52.3-40.1179-70.370.4-155.500112.7T130 F131 E132E128-T130 VanDerWaalsContact C-N 3.33Å; E128-T130 PolarHBondContact O-N 2.75Å; E128-F131 PolarHBondContact O-N 3.35Å; E128-E132 WeakPolarHBondContact O-CB 3.18Å; E128-E132 VanDerWaalsContact O-CG 3.28Å; E128-E132 WeakPolarHBondContact O-CG 3.37Å; E128-E132 PolarHBondContact O-N 3.44Å
129K98Very high97Very high68 Ų6850.3 Ų50.330%0.29626%0.264SS..Hα-helixtrans-65.9-37.6178.4-63.9175.6-179.8168.40111.6E100 N101 L102 D127 Y133E100-K129 PolarHBondContact O-NZ 2.83Å; N101-K129 PolarHBondContact O-NZ 3.44Å; L102-K129 VanDerWaalsContact O-CD 3.3Å; L102-K129 WeakPolarHBondContact O-CD 3.29Å; L102-K129 PolarHBondContact O-NZ 3.04Å; D127-K129 PolarHBondContact O-N 2.89Å; D127-K129 WeakPolarHBondContact OD1-CB 3.32Å; D127-K129 PolarHBondContact OD1-N 2.9Å; K129-Y133 VanDerWaalsContact O-CB 3.29Å; K129-Y133 WeakPolarHBondContact O-CB 3.39Å; K129-Y133 PolarHBondContact O-N 3.17Å
130T98.3Very high97.1Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-63.2-45.3173.9-56.70000110.5P11 F28 M104 R107 P126 D127 E128 Y133 V134P11-T130 HydrophobicContact CG-CG2 4.02Å; F28-T130 HydrophobicContact CB-CG2 4.22Å; F28-T130 HydrophobicContact CD1-CG2 3.91Å; F28-T130 HydrophobicContact CG-CG2 4.4Å; M104-T130 HydrophobicContact CE-CG2 4.13Å; M104-T130 HydrophobicContact SD-CG2 4.43Å; M104-T130 PolarHBondContact SD-OG1 3.49Å; R107-T130 PolarHBondContact NH1-OG1 2.89Å; P126-T130 HydrophobicContact CB-CG2 3.99Å; D127-T130 PolarHBondContact N-OG1 3.25Å; D127-T130 WeakPolarHBondContact O-CA 3.07Å; D127-T130 VanDerWaalsContact O-CB 3.31Å; D127-T130 WeakPolarHBondContact O-CB 3.35Å; D127-T130 PolarHBondContact O-N 3.24Å; D127-T130 PolarHBondContact OD1-N 2.75Å; D127-T130 VanDerWaalsContact OD1-N 3.15Å; D127-T130 PolarHBondContact OD1-OG1 3.08Å; E128-T130 VanDerWaalsContact C-N 3.33Å; E128-T130 PolarHBondContact O-N 2.75Å; T130-Y133 PolarHBondContact O-N 3.03Å; T130-V134 WeakPolarHBondContact O-CG2 3.3Å; T130-V134 PolarHBondContact O-N 3.06Å; T130-V134 VanDerWaalsContact O-N 3.08Å
131F97.9Very high97.3Very high12 Ų1249 Ų495%0.05327%0.265CS..Hα-helixtrans-65.4-46.9-178.7-51.3-27.1000111.9P126 D127 E128 Y133 V134 A135 I148 W151 K152P126-F131 HydrophobicContact CB-CE1 3.91Å; P126-F131 HydrophobicContact CB-CZ 4.49Å; D127-F131 WeakPolarHBondContact O-CD1 3.15Å; D127-F131 VanDerWaalsContact O-CD2 3.32Å; D127-F131 WeakPolarHBondContact O-CD2 3.45Å; D127-F131 WeakPolarHBondContact O-CG 3.19Å; D127-F131 PolarHBondContact O-N 3.46Å; E128-F131 PolarHBondContact O-N 3.35Å; F131-Y133 VanDerWaalsContact C-N 3.31Å; F131-Y133 PolarHBondContact O-N 2.8Å; F131-V134 PolarHBondContact O-N 2.88Å; F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 3.41Å; F131-I148 HydrophobicContact CB-CD1 4.17Å; F131-I148 HydrophobicContact CB-CG1 4.03Å; F131-I148 HydrophobicContact CD1-CG1 4.47Å; F131-I148 HydrophobicContact CD2-CG1 4.24Å; F131-I148 HydrophobicContact CD2-CG2 3.89Å; F131-I148 HydrophobicContact CE2-CG2 4.02Å; F131-I148 HydrophobicContact CG-CG1 4Å; F131-I148 HydrophobicContact CG-CG2 4.46Å; F131-W151 HydrophobicContact CD1-CB 4.37Å; F131-W151 HydrophobicContact CD1-CD2 4.36Å; F131-W151 AromaticContact CD1-CE3 3.41Å; F131-W151 HydrophobicContact CD1-CE3 3.41Å; F131-W151 VanDerWaalsContact CD1-CE3 3.41Å; F131-W151 HydrophobicContact CD1-CZ3 4.06Å; F131-W151 HydrophobicContact CE1-CB 3.51Å; F131-W151 HydrophobicContact CE1-CD2 4.32Å; F131-W151 AromaticContact CE1-CE3 3.78Å; F131-W151 HydrophobicContact CE1-CE3 3.78Å; F131-W151 HydrophobicContact CE1-CG 4.29Å; F131-W151 HydrophobicContact CG-CE3 4.29Å; F131-W151 HydrophobicContact CZ-CB 4.02Å; F131-K152 HydrophobicContact CE2-CG 4.02Å; F131-K152 HydrophobicContact CZ-CG 4.11Å
132E97.4Very high97.1Very high145 Ų14559 Ų5968%0.67831%0.307SS*.Hα-helixtrans-60.3-40.7176-74.3176.2-177.200111.8E128 A135E128-E132 WeakPolarHBondContact O-CB 3.18Å; E128-E132 VanDerWaalsContact O-CG 3.28Å; E128-E132 WeakPolarHBondContact O-CG 3.37Å; E128-E132 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 3.13Å
133Y97.2Very high97.1Very high35 Ų3563.5 Ų63.514%0.13733%0.332CS..Hα-helixtrans-64.6-41.4177.2-171.1-79.1000111.6P4 F28 M104 E105 M108 K129 T130 F131 R137P4-Y133 HydrophobicContact CB-CE1 4.2Å; F28-Y133 AromaticContact CE1-CD1 3.56Å; F28-Y133 HydrophobicContact CE1-CD1 3.56Å; F28-Y133 AromaticContact CE1-CE1 3.95Å; F28-Y133 HydrophobicContact CE1-CE1 3.95Å; F28-Y133 HydrophobicContact CE1-CG 4.36Å; F28-Y133 AromaticContact CZ-CD1 3.69Å; F28-Y133 HydrophobicContact CZ-CD1 3.69Å; F28-Y133 AromaticContact CZ-CE1 3.64Å; F28-Y133 HydrophobicContact CZ-CE1 3.64Å; F28-Y133 HydrophobicContact CZ-CG 4.5Å; M104-Y133 HydrophobicContact CB-CD2 3.6Å; M104-Y133 HydrophobicContact CB-CE2 4.06Å; M104-Y133 HydrophobicContact CB-CG 4.01Å; M104-Y133 HydrophobicContact CG-CD2 3.96Å; M104-Y133 HydrophobicContact CG-CG 3.94Å; E105-Y133 HydrophobicContact CG-CE2 4.49Å; M108-Y133 HydrophobicContact CE-CE2 4.47Å; K129-Y133 VanDerWaalsContact O-CB 3.29Å; K129-Y133 WeakPolarHBondContact O-CB 3.39Å; K129-Y133 PolarHBondContact O-N 3.17Å; T130-Y133 PolarHBondContact O-N 3.03Å; F131-Y133 VanDerWaalsContact C-N 3.31Å; F131-Y133 PolarHBondContact O-N 2.8Å; Y133-R137 VanDerWaalsContact CE1-NH2 3.33Å; Y133-R137 VanDerWaalsContact CZ-NH2 3.34Å; Y133-R137 WeakPolarHBondContact O-CD 3.42Å; Y133-R137 PolarHBondContact O-NE 2.9Å; Y133-R137 PolarHBondContact O-NH1 3.37Å; Y133-R137 PolarHBondContact O-NH2 3.41Å
134V97.6Very high97.1Very high0 Ų063.1 Ų63.10%033%0.329CS..Hα-helixtrans-72.4-34-180175.50000111.7Q10 F28 T130 F131 G136 R137 A140 W151Q10-V134 HydrophobicContact CG-CG1 4.35Å; F28-V134 HydrophobicContact CD1-CG2 3.89Å; F28-V134 HydrophobicContact CE1-CG2 3.95Å; T130-V134 WeakPolarHBondContact O-CG2 3.3Å; T130-V134 PolarHBondContact O-N 3.06Å; T130-V134 VanDerWaalsContact O-N 3.08Å; F131-V134 PolarHBondContact O-N 2.88Å; V134-G136 PolarHBondContact O-N 2.97Å; V134-R137 WeakPolarHBondContact O-CB 3.34Å; V134-R137 WeakPolarHBondContact O-CG 3.04Å; V134-R137 PolarHBondContact O-N 3.38Å; V134-A140 HydrophobicContact CG1-CB 4.13Å; V134-A140 VanDerWaalsContact O-CB 3.27Å; V134-A140 WeakPolarHBondContact O-CB 3.3Å; V134-W151 HydrophobicContact CB-CH2 4.35Å; V134-W151 HydrophobicContact CG1-CH2 3.84Å; V134-W151 HydrophobicContact CG1-CZ3 4.48Å
135A96.9Very high97Very high43 Ų4369.7 Ų69.736%0.35536%0.36SS..THydrogen-bonded Turntrans-53.2136.7-175.500000113.1F131 E132 R137 M144F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 3.41Å; E132-A135 PolarHBondContact O-N 3.13Å; A135-R137 PolarHBondContact O-N 3.22Å; A135-M144 HydrophobicContact CB-CE 3.93Å
136G95.3Very high97Very high82 Ų8270.3 Ų70.385%0.84537%0.365SS*.THydrogen-bonded Turntrans72.61.9175.600000116V134V134-G136 PolarHBondContact O-N 2.97Å
137R95.9Very high97Very high76 Ų7670.2 Ų70.229%0.28737%0.366SS..SBendtrans-75.5158.1173.3-66.2-176.8171.911-8.2111.8P4 E5 Y133 V134 A135 Y139 A140P4-R137 VanDerWaalsContact O-CD 3.22Å; P4-R137 WeakPolarHBondContact O-CD 3.49Å; P4-R137 PolarHBondContact O-NE 3.32Å; E5-R137 WeakPolarHBondContact O-CD 3.42Å; Y133-R137 VanDerWaalsContact CE1-NH2 3.33Å; Y133-R137 VanDerWaalsContact CZ-NH2 3.34Å; Y133-R137 WeakPolarHBondContact O-CD 3.42Å; Y133-R137 PolarHBondContact O-NE 2.9Å; Y133-R137 PolarHBondContact O-NH1 3.37Å; Y133-R137 PolarHBondContact O-NH2 3.41Å; V134-R137 WeakPolarHBondContact O-CB 3.34Å; V134-R137 WeakPolarHBondContact O-CG 3.04Å; V134-R137 PolarHBondContact O-N 3.38Å; A135-R137 PolarHBondContact O-N 3.22Å; R137-Y139 VanDerWaalsContact C-N 3.28Å; R137-Y139 PolarHBondContact O-N 3.26Å; R137-Y139 VanDerWaalsContact O-N 3.15Å; R137-A140 HydrophobicContact CB-CB 4.36Å; R137-A140 VanDerWaalsContact O-CB 3.24Å; R137-A140 WeakPolarHBondContact O-CB 3.46Å; R137-A140 PolarHBondContact O-N 3.49Å
138E96Very high97Very high143 Ų14370.6 Ų70.667%0.66837%0.367SS*.THydrogen-bonded Turntrans-49.9-43.4-173.5-175.2-178.816500113.9T6T6-E138 PolarHBondContact O-N 3.28Å
139Y97Very high97Very high113 Ų11369.3 Ų69.344%0.44336%0.364SS..THydrogen-bonded Turntrans-108.817.3-179.7-57.1-71.6000113.4T6 L8 Q10 R137T6-Y139 WeakPolarHBondContact O-CB 3.38Å; T6-Y139 WeakPolarHBondContact O-CD2 3.46Å; T6-Y139 PolarHBondContact O-N 2.85Å; L8-Y139 HydrophobicContact CD1-CD2 4.12Å; L8-Y139 HydrophobicContact CD1-CE2 4.42Å; L8-Y139 HydrophobicContact CD2-CD1 4.35Å; L8-Y139 HydrophobicContact CD2-CD2 3.95Å; L8-Y139 HydrophobicContact CD2-CG 3.78Å; L8-Y139 HydrophobicContact CG-CD2 3.64Å; L8-Y139 HydrophobicContact CG-CE2 4.41Å; L8-Y139 HydrophobicContact CG-CG 3.95Å; Q10-Y139 PolarHBondContact NE2-O 2.66Å; R137-Y139 VanDerWaalsContact C-N 3.28Å; R137-Y139 PolarHBondContact O-N 3.26Å; R137-Y139 VanDerWaalsContact O-N 3.15Å
140A97Very high96.9Very high18 Ų1870.4 Ų70.415%0.14937%0.373CS..SBendtrans-59.5151.5171.700000110.7V134 R137 K142 M144V134-A140 HydrophobicContact CG1-CB 4.13Å; V134-A140 VanDerWaalsContact O-CB 3.27Å; V134-A140 WeakPolarHBondContact O-CB 3.3Å; R137-A140 HydrophobicContact CB-CB 4.36Å; R137-A140 VanDerWaalsContact O-CB 3.24Å; R137-A140 WeakPolarHBondContact O-CB 3.46Å; R137-A140 PolarHBondContact O-N 3.49Å; A140-K142 PolarHBondContact O-N 2.77Å; A140-M144 HydrophobicContact CB-SD 4.26Å
141P96.4Very high96.9Very high28 Ų2870.8 Ų70.818%0.18237%0.374CS..  trans-52.1132.5173.4-26.634.5000111.9N143 M144 A147 W151P141-N143 VanDerWaalsContact C-N 3.25Å; P141-N143 PolarHBondContact O-N 3.09Å; P141-M144 HydrophobicContact CB-SD 4.24Å; P141-M144 HydrophobicContact CG-SD 4.26Å; P141-A147 HydrophobicContact CB-CB 3.62Å; P141-A147 HydrophobicContact CG-CB 3.6Å; P141-W151 HydrophobicContact CG-CH2 3.65Å; P141-W151 HydrophobicContact CG-CZ2 3.59Å
142K94.7Very high96.8Very high223 Ų22375.7 Ų75.797%0.9740%0.396SS*.SBendtrans-61.8-37177-66.1-177.6179.9178.90111.8A140A140-K142 PolarHBondContact O-N 2.77Å
143N96.7Very high96.7Very high95 Ų9575.7 Ų75.751%0.50840%0.396SS..SBendtrans-104.588.6171.6-173.8-14.2000108.9P141 E145 A146 A147P141-N143 VanDerWaalsContact C-N 3.25Å; P141-N143 PolarHBondContact O-N 3.09Å; N143-E145 VanDerWaalsContact C-N 3.32Å; N143-E145 PolarHBondContact O-N 3.05Å; N143-E145 PolarHBondContact OD1-N 3.39Å; N143-A146 HydrophobicContact CB-CB 4.24Å; N143-A146 PolarHBondContact OD1-N 2.8Å; N143-A146 VanDerWaalsContact OD1-N 3.08Å; N143-A147 PolarHBondContact O-N 3.42Å
144M96.9Very high96.6Very high40 Ų4077.1 Ų77.120%0.19741%0.405CS..Hα-helixtrans-64.3-35179.8-78.6-63.5-57.300112.7A135 A140 P141 A147 I148 W151A135-M144 HydrophobicContact CB-CE 3.93Å; A140-M144 HydrophobicContact CB-SD 4.26Å; P141-M144 HydrophobicContact CB-SD 4.24Å; P141-M144 HydrophobicContact CG-SD 4.26Å; M144-A147 PolarHBondContact O-N 3.36Å; M144-I148 HydrophobicContact CE-CD1 4.06Å; M144-I148 HydrophobicContact CE-CG1 4.23Å; M144-I148 WeakPolarHBondContact O-CB 3.26Å; M144-I148 WeakPolarHBondContact O-CD1 3.42Å; M144-I148 WeakPolarHBondContact O-CG1 3.47Å; M144-I148 PolarHBondContact O-N 3.23Å; M144-W151 HydrophobicContact CE-CH2 4.28Å; M144-W151 HydrophobicContact CE-CZ3 3.91Å
145E97.2Very high96.4Very high143 Ų14383.9 Ų83.967%0.66843%0.432SS*.Hα-helixtrans-63.9-47.5-179.3-175.5-179.7-179.700111.3N143 A147 I148 N149N143-E145 VanDerWaalsContact C-N 3.32Å; N143-E145 PolarHBondContact O-N 3.05Å; N143-E145 PolarHBondContact OD1-N 3.39Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 2.99Å; E145-I148 PolarHBondContact O-N 3.18Å; E145-N149 VanDerWaalsContact O-CG 3.32Å; E145-N149 PolarHBondContact O-N 3.22Å; E145-N149 PolarHBondContact O-ND2 2.99Å
146A97.5Very high96.2Very high50 Ų5084.2 Ų84.241%0.41343%0.43SS..Hα-helixtrans-62.3-41.1175.700000112.1N143 N149 D150N143-A146 HydrophobicContact CB-CB 4.24Å; N143-A146 PolarHBondContact OD1-N 2.8Å; N143-A146 VanDerWaalsContact OD1-N 3.08Å; A146-N149 PolarHBondContact O-N 3.37Å; A146-D150 PolarHBondContact O-N 2.89Å; A146-D150 VanDerWaalsContact O-N 3.16Å
147A97.7Very high96.1Very high15 Ų1585 Ų8512%0.12441%0.414CS..Hα-helixtrans-65.5-41.9177.300000112.3P141 N143 M144 E145 N149 D150 W151P141-A147 HydrophobicContact CB-CB 3.62Å; P141-A147 HydrophobicContact CG-CB 3.6Å; N143-A147 PolarHBondContact O-N 3.42Å; M144-A147 PolarHBondContact O-N 3.36Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 2.99Å; A147-N149 VanDerWaalsContact C-N 3.32Å; A147-N149 PolarHBondContact O-N 2.95Å; A147-D150 PolarHBondContact O-N 2.92Å; A147-W151 HydrophobicContact CB-CD2 4.32Å; A147-W151 HydrophobicContact CB-CE3 4.45Å; A147-W151 HydrophobicContact CB-CH2 4.02Å; A147-W151 HydrophobicContact CB-CZ2 3.82Å; A147-W151 HydrophobicContact CB-CZ3 4.33Å; A147-W151 WeakPolarHBondContact O-CB 3.42Å; A147-W151 VanDerWaalsContact O-CD1 3.32Å; A147-W151 PolarHBondContact O-N 3.39Å
148I97.9Very high95.8Very high40 Ų4091.1 Ų91.121%0.20545%0.446CS..Hα-helixtrans-63.6-39.3176.6-71.8166.1000110.8F131 M144 E145 W151 K152F131-I148 HydrophobicContact CB-CD1 4.17Å; F131-I148 HydrophobicContact CB-CG1 4.03Å; F131-I148 HydrophobicContact CD1-CG1 4.47Å; F131-I148 HydrophobicContact CD2-CG1 4.24Å; F131-I148 HydrophobicContact CD2-CG2 3.89Å; F131-I148 HydrophobicContact CE2-CG2 4.02Å; F131-I148 HydrophobicContact CG-CG1 4Å; F131-I148 HydrophobicContact CG-CG2 4.46Å; M144-I148 HydrophobicContact CE-CD1 4.06Å; M144-I148 HydrophobicContact CE-CG1 4.23Å; M144-I148 WeakPolarHBondContact O-CB 3.26Å; M144-I148 WeakPolarHBondContact O-CD1 3.42Å; M144-I148 WeakPolarHBondContact O-CG1 3.47Å; M144-I148 PolarHBondContact O-N 3.23Å; E145-I148 PolarHBondContact O-N 3.18Å; I148-W151 HydrophobicContact CG1-CE3 4.11Å; I148-W151 HydrophobicContact CG1-CZ3 4.28Å; I148-W151 PolarHBondContact O-N 3.28Å; I148-K152 HydrophobicContact CG2-CD 4.13Å; I148-K152 HydrophobicContact CG2-CG 4.37Å; I148-K152 WeakPolarHBondContact O-CB 3.29Å; I148-K152 VanDerWaalsContact O-CG 3.28Å; I148-K152 WeakPolarHBondContact O-CG 3.15Å; I148-K152 PolarHBondContact O-N 3.3Å
149N97.5Very high95.6Very high87 Ų8791.1 Ų91.147%0.46545%0.451SS..Hα-helixtrans-61.8-44176.4-71.1-20.6000111.8E145 A146 A147E145-N149 VanDerWaalsContact O-CG 3.32Å; E145-N149 PolarHBondContact O-N 3.22Å; E145-N149 PolarHBondContact O-ND2 2.99Å; A146-N149 PolarHBondContact O-N 3.37Å; A147-N149 VanDerWaalsContact C-N 3.32Å; A147-N149 PolarHBondContact O-N 2.95Å
150D96.8Very high95.4Very high91 Ų9187.8 Ų87.849%0.48745%0.447SS..Hα-helixtrans-63-46173.5-179.971000111.6A146 A147 K152 E153A146-D150 PolarHBondContact O-N 2.89Å; A146-D150 VanDerWaalsContact O-N 3.16Å; A147-D150 PolarHBondContact O-N 2.92Å; D150-K152 VanDerWaalsContact C-N 3.28Å; D150-K152 PolarHBondContact O-N 2.99Å; D150-E153 WeakPolarHBondContact O-CB 3.28Å; D150-E153 PolarHBondContact O-N 3.35Å; D150-E153 VanDerWaalsContact O-N 3.08Å
151W97.9Very high95.3Very high7 Ų793.6 Ų93.63%0.02747%0.471CS..Hα-helixtrans-67.6-26.6-178-59.7-20.8000114.1Q10 P11 F131 V134 P141 M144 A147 I148 E153 L154Q10-W151 HydrophobicContact CB-CZ2 3.94Å; Q10-W151 HydrophobicContact CG-CZ2 4.16Å; P11-W151 HydrophobicContact CB-CB 4.04Å; P11-W151 HydrophobicContact CB-CD2 4.09Å; P11-W151 HydrophobicContact CB-CG 3.64Å; P11-W151 HydrophobicContact CG-CB 4.12Å; P11-W151 HydrophobicContact CG-CD2 3.59Å; P11-W151 HydrophobicContact CG-CE3 4.06Å; P11-W151 HydrophobicContact CG-CG 3.65Å; P11-W151 PolarHBondContact O-NE1 3.46Å; F131-W151 HydrophobicContact CD1-CB 4.37Å; F131-W151 HydrophobicContact CD1-CD2 4.36Å; F131-W151 AromaticContact CD1-CE3 3.41Å; F131-W151 HydrophobicContact CD1-CE3 3.41Å; F131-W151 VanDerWaalsContact CD1-CE3 3.41Å; F131-W151 HydrophobicContact CD1-CZ3 4.06Å; F131-W151 HydrophobicContact CE1-CB 3.51Å; F131-W151 HydrophobicContact CE1-CD2 4.32Å; F131-W151 AromaticContact CE1-CE3 3.78Å; F131-W151 HydrophobicContact CE1-CE3 3.78Å; F131-W151 HydrophobicContact CE1-CG 4.29Å; F131-W151 HydrophobicContact CG-CE3 4.29Å; F131-W151 HydrophobicContact CZ-CB 4.02Å; V134-W151 HydrophobicContact CB-CH2 4.35Å; V134-W151 HydrophobicContact CG1-CH2 3.84Å; V134-W151 HydrophobicContact CG1-CZ3 4.48Å; P141-W151 HydrophobicContact CG-CH2 3.65Å; P141-W151 HydrophobicContact CG-CZ2 3.59Å; M144-W151 HydrophobicContact CE-CH2 4.28Å; M144-W151 HydrophobicContact CE-CZ3 3.91Å; A147-W151 HydrophobicContact CB-CD2 4.32Å; A147-W151 HydrophobicContact CB-CE3 4.45Å; A147-W151 HydrophobicContact CB-CH2 4.02Å; A147-W151 HydrophobicContact CB-CZ2 3.82Å; A147-W151 HydrophobicContact CB-CZ3 4.33Å; A147-W151 WeakPolarHBondContact O-CB 3.42Å; A147-W151 VanDerWaalsContact O-CD1 3.32Å; A147-W151 PolarHBondContact O-N 3.39Å; I148-W151 HydrophobicContact CG1-CE3 4.11Å; I148-W151 HydrophobicContact CG1-CZ3 4.28Å; I148-W151 PolarHBondContact O-N 3.28Å; W151-E153 PolarHBondContact O-N 3.21Å; W151-L154 HydrophobicContact CB-CD1 4.46Å; W151-L154 WeakPolarHBondContact O-CB 3.38Å; W151-L154 PolarHBondContact O-N 2.83Å; W151-L154 VanDerWaalsContact O-N 3.11Å
152K96.4Very high95.3Very high115 Ų11594.9 Ų94.950%0.547%0.472SS..THydrogen-bonded Turntrans-67.2-15.1174-81175.6175.3-177.70113.4F131 I148 D150 Y155F131-K152 HydrophobicContact CE2-CG 4.02Å; F131-K152 HydrophobicContact CZ-CG 4.11Å; I148-K152 HydrophobicContact CG2-CD 4.13Å; I148-K152 HydrophobicContact CG2-CG 4.37Å; I148-K152 WeakPolarHBondContact O-CB 3.29Å; I148-K152 VanDerWaalsContact O-CG 3.28Å; I148-K152 WeakPolarHBondContact O-CG 3.15Å; I148-K152 PolarHBondContact O-N 3.3Å; D150-K152 VanDerWaalsContact C-N 3.28Å; D150-K152 PolarHBondContact O-N 2.99Å; K152-Y155 VanDerWaalsContact O-CD1 3.31Å; K152-Y155 WeakPolarHBondContact O-CD1 3.38Å
153E95.1Very high95.4Very high146 Ų14688 Ų8868%0.68245%0.446SS*.THydrogen-bonded Turntrans-87.4-7173.6-58.1-175.8173.800112.2D150 W151 Y155D150-E153 WeakPolarHBondContact O-CB 3.28Å; D150-E153 PolarHBondContact O-N 3.35Å; D150-E153 VanDerWaalsContact O-N 3.08Å; W151-E153 PolarHBondContact O-N 3.21Å; E153-Y155 VanDerWaalsContact C-N 3.25Å; E153-Y155 PolarHBondContact O-N 3.02Å; E153-Y155 VanDerWaalsContact O-N 3.13Å
154L95.2Very high95.5Very high64 Ų6486.9 Ų86.934%0.33544%0.437SS..  trans-90.346.6-175.5-56.8177.3000112.8P11 G12 P126 W151P11-L154 HydrophobicContact CB-CD1 3.67Å; G12-L154 VanDerWaalsContact N-CD1 3.32Å; P126-L154 VanDerWaalsContact CD-O 3.28Å; P126-L154 WeakPolarHBondContact CD-O 3.43Å; P126-L154 HydrophobicContact CG-CB 4.01Å; W151-L154 HydrophobicContact CB-CD1 4.46Å; W151-L154 WeakPolarHBondContact O-CB 3.38Å; W151-L154 PolarHBondContact O-N 2.83Å; W151-L154 VanDerWaalsContact O-N 3.11Å
155Y92.2Very high95.5Very high143 Ų14389.1 Ų89.156%0.56145%0.452SS*.SBendtrans-107.5162.7173.467-85.5000110.6K152 E153 D157K152-Y155 VanDerWaalsContact O-CD1 3.31Å; K152-Y155 WeakPolarHBondContact O-CD1 3.38Å; E153-Y155 VanDerWaalsContact C-N 3.25Å; E153-Y155 PolarHBondContact O-N 3.02Å; E153-Y155 VanDerWaalsContact O-N 3.13Å; Y155-D157 PolarHBondContact O-N 3.13Å
156T93.6Very high95.5Very high50 Ų5082.8 Ų82.831%0.30742%0.423SS..  trans-76122.8175.8-680000110.2E93 A160E93-T156 PolarHBondContact OE1-OG1 3.13Å; E93-T156 PolarHBondContact OE2-OG1 3.09Å; T156-A160 HydrophobicContact CG2-CB 3.39Å
157D93.3Very high95.5Very high98 Ų9884.3 Ų84.352%0.52443%0.427SS..  trans-54.2147.5178.9-62.2-44000112Y155 D159 A160Y155-D157 PolarHBondContact O-N 3.13Å; D157-D159 WeakPolarHBondContact CB-OD1 3.36Å; D157-D159 PolarHBondContact O-N 2.64Å; D157-A160 HydrophobicContact CB-CB 4.34Å; D157-A160 WeakPolarHBondContact O-CB 3.11Å; D157-A160 PolarHBondContact O-N 3.13Å
158E89.8Confident95.5Very high205 Ų20584.5 Ų84.596%0.95843%0.426SS*.THydrogen-bonded Turntrans-61.5-29.1-177.8-66.6-173.7169.600113.4
159D90.9Very high95.5Very high142 Ų14287 Ų8776%0.75944%0.44SS*.THydrogen-bonded Turntrans-94.85.9178.170.1-24.9000113.3D157 H161D157-D159 WeakPolarHBondContact CB-OD1 3.36Å; D157-D159 PolarHBondContact O-N 2.64Å; D159-H161 PolarHBondContact O-N 3.12Å
160A92.7Very high95.6Very high44 Ų4482.8 Ų82.836%0.36442%0.417SS..PPolyproline II helixtrans-61.2136.5179.600000111.8T156 D157T156-A160 HydrophobicContact CG2-CB 3.39Å; D157-A160 HydrophobicContact CB-CB 4.34Å; D157-A160 WeakPolarHBondContact O-CB 3.11Å; D157-A160 PolarHBondContact O-N 3.13Å
161H94.2Very high95.6Very high140 Ų14082.5 Ų82.565%0.64842%0.416SS*.PPolyproline II helixtrans-102.7127.6178.2-177.970.4000111.5N56 D159N56-H161 PolarHBondContact ND2-O 2.86Å; D159-H161 PolarHBondContact O-N 3.12Å
162Y97Very high95.5Very high54 Ų5490.7 Ų90.721%0.21245%0.454CS..PPolyproline II helixtrans-93.9127.2165.7-62.8-72.6000110N56 E93 K164 V165N56-Y162 HydrophobicContact CB-CD1 4.11Å; E93-Y162 HydrophobicContact CB-CE1 4.18Å; E93-Y162 PolarHBondContact OE1-OH 2.93Å; E93-Y162 PolarHBondContact OE2-OH 3.03Å; E93-Y162 VanDerWaalsContact OE2-OH 3.07Å; Y162-K164 PolarHBondContact O-N 2.8Å; Y162-V165 HydrophobicContact CD2-CG2 4.2Å; Y162-V165 HydrophobicContact CG-CG2 4.3Å
163D97.6Very high95.5Very high78 Ų7885.9 Ų85.942%0.41743%0.434SS..SBendtrans-60.9-27.3172-64.6-92.5000112.1K55 N56 Y90K55-D163 WeakPolarHBondContact CA-OD2 3.47Å; K55-D163 HydrophobicContact CB-CB 3.97Å; K55-D163 WeakPolarHBondContact CB-OD2 3.3Å; K55-D163 HydrophobicContact CD-CB 4.29Å; K55-D163 HydrophobicContact CG-CB 4.48Å; N56-D163 PolarHBondContact N-OD2 3.32Å; N56-D163 WeakPolarHBondContact O-CB 3.38Å; N56-D163 PolarHBondContact O-N 3.3Å; Y90-D163 HydrophobicContact CE1-CB 3.95Å
164K97.6Very high95.7Very high73 Ų7379.7 Ų79.732%0.31741%0.406SS..EExtended strand (participates in β ladder)trans-148.2137.5176.1-174.9167.6172.9-169.90110.9N56 M57 G58 Y90 Y162N56-K164 PolarHBondContact O-N 2.63Å; M57-K164 CarbonylContact C-O 3.44Å; M57-K164 VanDerWaalsContact CA-O 3.28Å; M57-K164 WeakPolarHBondContact CA-O 3.31Å; M57-K164 HydrophobicContact CE-CB 4.32Å; M57-K164 HydrophobicContact CE-CD 3.76Å; M57-K164 HydrophobicContact CE-CG 4.2Å; G58-K164 PolarHBondContact N-O 2.73Å; Y90-K164 HydrophobicContact CD1-CB 4.47Å; Y90-K164 HydrophobicContact CE1-CB 3.85Å; Y162-K164 PolarHBondContact O-N 2.8Å
165V97.5Very high95.8Very high86 Ų8676.7 Ų76.752%0.52139%0.39SS..EExtended strand (participates in β ladder)trans-120128.2175.6-1780000109.9G58 Y162 T167G58-V165 CarbonylContact O-C 3.09Å; G58-V165 VanDerWaalsContact O-CA 3.29Å; G58-V165 WeakPolarHBondContact O-CA 3.43Å; Y162-V165 HydrophobicContact CD2-CG2 4.2Å; Y162-V165 HydrophobicContact CG-CG2 4.3Å; V165-T167 HydrophobicContact CG1-CG2 4.34Å
166L97.9Very high96.1Very high10 Ų1070.9 Ų70.95%0.05237%0.368CS..EExtended strand (participates in β ladder)trans-110.7147.3169.2-59-176.6000109.2M57 G58 I59 K60 Y82 F86M57-L166 HydrophobicContact SD-CD1 3.98Å; M57-L166 HydrophobicContact SD-CG 4.39Å; G58-L166 PolarHBondContact O-N 2.98Å; I59-L166 WeakPolarHBondContact CA-O 3.49Å; I59-L166 HydrophobicContact CG1-CB 4.39Å; I59-L166 HydrophobicContact CG2-CB 4.4Å; K60-L166 PolarHBondContact N-O 2.87Å; Y82-L166 HydrophobicContact CD1-CD1 4.47Å; Y82-L166 HydrophobicContact CD1-CD2 4.08Å; Y82-L166 HydrophobicContact CD2-CD1 3.87Å; Y82-L166 HydrophobicContact CE1-CD2 3.71Å; Y82-L166 HydrophobicContact CE2-CB 4.27Å; Y82-L166 HydrophobicContact CE2-CD1 4.03Å; Y82-L166 HydrophobicContact CE2-CD2 4.3Å; Y82-L166 HydrophobicContact CE2-CG 4.44Å; Y82-L166 HydrophobicContact CG-CD1 4.11Å; F86-L166 HydrophobicContact CD2-CD1 3.74Å; F86-L166 HydrophobicContact CE2-CD1 4.14Å; F86-L166 HydrophobicContact CG-CD1 4.37Å
167T97.6Very high96.3Very high82 Ų8268.6 Ų68.650%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-130.3140.4177.960.70000111K60 Y82 V165K60-T167 HydrophobicContact CB-CG2 4.33Å; K60-T167 WeakPolarHBondContact O-CA 3.41Å; Y82-T167 PolarHBondContact OH-O 2.58Å; V165-T167 HydrophobicContact CG1-CG2 4.34Å
168L97.8Very high96.6Very high19 Ų1963.9 Ų63.910%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-139.3118.9172.4-179.164.9000109.6K60 I61 T62 I74 A77 L78 V170K60-L168 PolarHBondContact O-N 2.69Å; I61-L168 WeakPolarHBondContact CA-O 3.35Å; I61-L168 HydrophobicContact CD1-CB 3.72Å; I61-L168 HydrophobicContact CD1-CD2 4.27Å; T62-L168 PolarHBondContact N-O 3.5Å; I74-L168 HydrophobicContact CG2-CD2 4.09Å; A77-L168 HydrophobicContact CB-CD2 4.46Å; L78-L168 HydrophobicContact CD2-CB 4.07Å; L78-L168 HydrophobicContact CD2-CD2 3.98Å; L78-L168 HydrophobicContact CG-CD2 3.97Å; L168-V170 HydrophobicContact CD2-CG1 4.33Å; L168-V170 HydrophobicContact CG-CG1 4.27Å
169D98Very high97Very high92 Ų9254.4 Ų54.449%0.49228%0.284SS..EExtended strand (participates in β ladder)trans-85.5124.1166.4-173.3-23.2000108.5T62 N171T62-D169 CarbonylContact O-C 3.55Å; T62-D169 WeakPolarHBondContact O-CA 3.17Å; D169-N171 VanDerWaalsContact OD1-CB 3.3Å; D169-N171 WeakPolarHBondContact OD1-CB 3.47Å; D169-N171 VanDerWaalsContact OD1-CG 3.3Å; D169-N171 PolarHBondContact OD1-N 3.15Å; D169-N171 PolarHBondContact OD1-ND2 3.42Å; D169-N171 PolarHBondContact OD2-ND2 3.41Å
170V98.3Very high97.3Very high0 Ų047.7 Ų47.70%025%0.248CC..  trans-95.7-2.4-177.9-55.40000114.3I61 T62 L65 P66 I74 T98 L168 E172 L173I61-V170 HydrophobicContact CG2-CG1 3.41Å; I61-V170 VanDerWaalsContact CG2-CG1 3.41Å; T62-V170 WeakPolarHBondContact O-CG2 3.35Å; T62-V170 PolarHBondContact O-N 3.07Å; L65-V170 HydrophobicContact CD2-CB 4.12Å; L65-V170 HydrophobicContact CD2-CG2 4.15Å; L65-V170 HydrophobicContact CG-CG2 4.26Å; P66-V170 WeakPolarHBondContact CD-O 3.27Å; I74-V170 HydrophobicContact CD1-CG1 4.39Å; I74-V170 HydrophobicContact CG1-CG1 4.22Å; T98-V170 HydrophobicContact CG2-CG1 4.43Å; T98-V170 HydrophobicContact CG2-CG2 3.72Å; L168-V170 HydrophobicContact CD2-CG1 4.33Å; L168-V170 HydrophobicContact CG-CG1 4.27Å; V170-E172 PolarHBondContact O-N 3.39Å; V170-E172 VanDerWaalsContact O-N 3.15Å; V170-L173 HydrophobicContact CB-CB 4.02Å; V170-L173 HydrophobicContact CB-CD2 4.25Å; V170-L173 HydrophobicContact CG1-CD2 4.08Å; V170-L173 VanDerWaalsContact O-CB 3.28Å; V170-L173 WeakPolarHBondContact O-CB 3.48Å; V170-L173 PolarHBondContact O-N 2.97Å
171N97.8Very high97.5Very high84 Ų8446.4 Ų46.445%0.44924%0.236SC..THydrogen-bonded Turntrans-57.5-32.7-177.3-72.6-57000112.9G63 K64 P66 D169G63-N171 WeakPolarHBondContact CA-ND2 3.26Å; G63-N171 WeakPolarHBondContact CA-OD1 3.3Å; K64-N171 PolarHBondContact N-OD1 3.5Å; P66-N171 VanDerWaalsContact CG-O 3.29Å; P66-N171 WeakPolarHBondContact CG-O 3.43Å; D169-N171 VanDerWaalsContact OD1-CB 3.3Å; D169-N171 WeakPolarHBondContact OD1-CB 3.47Å; D169-N171 VanDerWaalsContact OD1-CG 3.3Å; D169-N171 PolarHBondContact OD1-N 3.15Å; D169-N171 PolarHBondContact OD1-ND2 3.42Å; D169-N171 PolarHBondContact OD2-ND2 3.41Å
172E94.8Very high97.7Very high179 Ų17940.9 Ų40.984%0.83621%0.211SC*.THydrogen-bonded Turntrans-110.512.6177.1-59.1-172.7157.800112.3V170 V174V170-E172 PolarHBondContact O-N 3.39Å; V170-E172 VanDerWaalsContact O-N 3.15Å; E172-V174 WeakPolarHBondContact O-CG1 3.41Å; E172-V174 PolarHBondContact O-N 3.4Å
173L97.7Very high97.7Very high14 Ų1438.3 Ų38.37%0.07320%0.201CC..  trans-63.7139.9175.8-175.665.6000109.3L65 P66 V69 D73 I74 A77 V170 F176L65-L173 HydrophobicContact CD2-CD2 4.19Å; P66-L173 WeakPolarHBondContact CG-O 3.44Å; V69-L173 HydrophobicContact CG1-CB 4.28Å; V69-L173 HydrophobicContact CG1-CD2 3.67Å; V69-L173 HydrophobicContact CG1-CG 3.77Å; V69-L173 WeakPolarHBondContact CG2-O 3.39Å; D73-L173 HydrophobicContact CB-CD2 4.41Å; I74-L173 HydrophobicContact CB-CD2 4.38Å; I74-L173 HydrophobicContact CG1-CD2 3.76Å; A77-L173 HydrophobicContact CB-CD1 3.6Å; V170-L173 HydrophobicContact CB-CB 4.02Å; V170-L173 HydrophobicContact CB-CD2 4.25Å; V170-L173 HydrophobicContact CG1-CD2 4.08Å; V170-L173 VanDerWaalsContact O-CB 3.28Å; V170-L173 WeakPolarHBondContact O-CB 3.48Å; V170-L173 PolarHBondContact O-N 2.97Å; L173-F176 HydrophobicContact CD1-CD2 4.22Å; L173-F176 HydrophobicContact CD1-CE2 3.78Å
174V97.4Very high97.7Very high17 Ų1737.8 Ų37.810%0.10320%0.196CC..  trans-118.3167178.2-490000108.9E172 F176 P188E172-V174 WeakPolarHBondContact O-CG1 3.41Å; E172-V174 PolarHBondContact O-N 3.4Å; V174-F176 HydrophobicContact CG2-CE2 4.33Å; V174-F176 VanDerWaalsContact O-CD2 3.27Å; V174-F176 WeakPolarHBondContact O-CD2 3.32Å; V174-P188 HydrophobicContact CG2-CB 3.24Å
175P98.2Very high97.7Very high0 Ų035.3 Ų35.30%019%0.186CC..  trans-61145.5176.4-20.532.8000111.6V69 D73 P188 F189 M331 S344 R345V69-P175 HydrophobicContact CG2-CG 4.26Å; D73-P175 WeakPolarHBondContact OD1-CA 3.4Å; P175-P188 CarbonylContact O-C 3.55Å; P175-F189 HydrophobicContact CB-CB 4.29Å; P175-F189 WeakPolarHBondContact O-CB 3.5Å; P175-F189 PolarHBondContact O-N 3.13Å; P175-M331 HydrophobicContact CB-CE 4.4Å; P175-M331 HydrophobicContact CB-CG 4.21Å; P175-M331 HydrophobicContact CB-SD 3.41Å; P175-M331 WeakPolarHBondContact CB-SD 3.46Å; P175-S344 WeakPolarHBondContact CB-OG 3.31Å; P175-S344 WeakPolarHBondContact CG-OG 3.45Å; P175-R345 HydrophobicContact CG-CG 3.93Å
176F98.3Very high97.7Very high22 Ų2231.8 Ų31.810%0.09617%0.168CC..EExtended strand (participates in β ladder)trans-115.7144.8-178.5-93.7-113000112.5D73 L76 A77 A80 L173 V174 V187 P188D73-F176 PolarHBondContact OD1-N 2.8Å; L76-F176 HydrophobicContact CB-CB 3.77Å; L76-F176 HydrophobicContact CB-CD1 4.48Å; L76-F176 HydrophobicContact CB-CG 4.36Å; L76-F176 HydrophobicContact CD1-CB 4.12Å; A77-F176 HydrophobicContact CB-CD1 4.31Å; A77-F176 HydrophobicContact CB-CD2 4Å; A77-F176 HydrophobicContact CB-CE1 3.99Å; A77-F176 HydrophobicContact CB-CE2 3.66Å; A77-F176 HydrophobicContact CB-CG 4.33Å; A77-F176 HydrophobicContact CB-CZ 3.66Å; A80-F176 HydrophobicContact CB-CD1 4.29Å; A80-F176 HydrophobicContact CB-CE1 3.93Å; L173-F176 HydrophobicContact CD1-CD2 4.22Å; L173-F176 HydrophobicContact CD1-CE2 3.78Å; V174-F176 HydrophobicContact CG2-CE2 4.33Å; V174-F176 VanDerWaalsContact O-CD2 3.27Å; V174-F176 WeakPolarHBondContact O-CD2 3.32Å; F176-V187 WeakPolarHBondContact CA-O 3.31Å; F176-V187 WeakPolarHBondContact CD1-O 3.4Å; F176-P188 HydrophobicContact CE2-CB 3.9Å; F176-P188 HydrophobicContact CZ-CB 3.97Å; F176-P188 HydrophobicContact CZ-CG 4.41Å
177V98.5Very high97.7Very high1 Ų131.9 Ų31.91%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-135.2138174.7-177.60000110.1G186 V187 P216 I219 H325 L326 C327 M331 F341V177-G186 WeakPolarHBondContact O-CA 3.35Å; V177-V187 PolarHBondContact N-O 3.07Å; V177-V187 PolarHBondContact O-N 3.03Å; V177-P216 HydrophobicContact CG2-CB 4.47Å; V177-I219 HydrophobicContact CG1-CD1 4.47Å; V177-H325 HydrophobicContact CG1-CB 4.16Å; V177-L326 WeakPolarHBondContact CA-O 3.42Å; V177-C327 HydrophobicContact CG2-CB 4.35Å; V177-M331 HydrophobicContact CG2-CE 3.15Å; V177-M331 HydrophobicContact CG2-SD 3.8Å; V177-F341 HydrophobicContact CG1-CD2 3.95Å; V177-F341 HydrophobicContact CG1-CE1 4.21Å; V177-F341 HydrophobicContact CG1-CE2 3.5Å; V177-F341 HydrophobicContact CG1-CG 4.45Å; V177-F341 HydrophobicContact CG1-CZ 3.65Å; V177-F341 HydrophobicContact CG2-CD1 4.13Å; V177-F341 HydrophobicContact CG2-CE1 4.24Å; V177-F341 HydrophobicContact CG2-CG 4.27Å; V177-F341 HydrophobicContact CG2-CZ 4.49Å
178T98.6Very high97.7Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-81.7132.2168.766.30000111.4L76 M185 N313 H325 L326L76-T178 HydrophobicContact CD2-CG2 4.17Å; T178-M185 CarbonylContact C-O 3.59Å; T178-M185 WeakPolarHBondContact CA-O 3.4Å; T178-N313 WeakPolarHBondContact CB-ND2 3.36Å; T178-N313 PolarHBondContact OG1-ND2 2.94Å; T178-H325 PolarHBondContact O-ND1 2.99Å; T178-H325 WeakPolarHBondContact OG1-CA 3.06Å; T178-L326 HydrophobicContact CG2-CB 3.82Å; T178-L326 HydrophobicContact CG2-CD1 4.17Å; T178-L326 HydrophobicContact CG2-CG 4.04Å; T178-L326 PolarHBondContact N-O 3.24Å; T178-L326 VanDerWaalsContact N-O 3.14Å; T178-L326 PolarHBondContact OG1-N 3.27Å
179W98.1Very high97.8Very high6 Ų630 Ų302%0.02316%0.157CC..  trans-100.2-23.2176.564.2-92.8000113M185 F193 P194 L201 A204 F205 M208 L210W179-M185 HydrophobicContact CD2-CB 4.39Å; W179-M185 HydrophobicContact CH2-CG 4.46Å; W179-M185 HydrophobicContact CH2-SD 4.34Å; W179-M185 HydrophobicContact CZ2-CB 3.98Å; W179-M185 HydrophobicContact CZ2-CG 4.07Å; W179-M185 PolarHBondContact N-O 2.53Å; W179-M185 PolarHBondContact NE1-O 3.3Å; W179-F193 HydrophobicContact CB-CD1 3.46Å; W179-F193 VanDerWaalsContact CB-CD1 3.46Å; W179-F193 HydrophobicContact CB-CD2 4.27Å; W179-F193 HydrophobicContact CB-CE1 3.39Å; W179-F193 HydrophobicContact CB-CE2 4.23Å; W179-F193 HydrophobicContact CB-CG 3.95Å; W179-F193 HydrophobicContact CB-CZ 3.82Å; W179-F193 AromaticContact CD1-CD1 3.94Å; W179-F193 HydrophobicContact CD2-CB 4.44Å; W179-F193 HydrophobicContact CD2-CD1 4.45Å; W179-F193 HydrophobicContact CD2-CG 4.4Å; W179-F193 HydrophobicContact CG-CB 4.47Å; W179-F193 AromaticContact CG-CD1 3.65Å; W179-F193 HydrophobicContact CG-CD1 3.65Å; W179-F193 HydrophobicContact CG-CE1 4.11Å; W179-F193 HydrophobicContact CG-CG 4.03Å; W179-P194 HydrophobicContact CH2-CG 4.02Å; W179-P194 HydrophobicContact CZ2-CG 3.34Å; W179-L201 HydrophobicContact CH2-CD2 3.89Å; W179-L201 HydrophobicContact CZ2-CD2 4.19Å; W179-A204 HydrophobicContact CZ3-CB 4.34Å; W179-F205 HydrophobicContact CE3-CD1 4.08Å; W179-F205 AromaticContact CE3-CE1 3.6Å; W179-F205 HydrophobicContact CE3-CE1 3.6Å; W179-F205 AromaticContact CE3-CZ 3.89Å; W179-F205 HydrophobicContact CE3-CZ 3.89Å; W179-F205 HydrophobicContact CH2-CD2 4.31Å; W179-F205 HydrophobicContact CH2-CE1 4.19Å; W179-F205 AromaticContact CH2-CE2 3.74Å; W179-F205 HydrophobicContact CH2-CE2 3.74Å; W179-F205 AromaticContact CH2-CZ 3.66Å; W179-F205 HydrophobicContact CH2-CZ 3.66Å; W179-F205 HydrophobicContact CZ2-CZ 4.41Å; W179-F205 AromaticContact CZ3-CD1 3.73Å; W179-F205 HydrophobicContact CZ3-CD1 3.73Å; W179-F205 AromaticContact CZ3-CD2 3.98Å; W179-F205 HydrophobicContact CZ3-CD2 3.98Å; W179-F205 AromaticContact CZ3-CE1 3.41Å; W179-F205 HydrophobicContact CZ3-CE1 3.41Å; W179-F205 VanDerWaalsContact CZ3-CE1 3.41Å; W179-F205 AromaticContact CZ3-CE2 3.67Å; W179-F205 HydrophobicContact CZ3-CE2 3.67Å; W179-F205 AromaticContact CZ3-CG 4Å; W179-F205 HydrophobicContact CZ3-CG 4Å; W179-F205 AromaticContact CZ3-CZ 3.36Å; W179-F205 HydrophobicContact CZ3-CZ 3.36Å; W179-M208 WeakPolarHBondContact O-CE 3.39Å; W179-M208 WeakPolarHBondContact O-CG 3.48Å; W179-L210 HydrophobicContact CB-CD1 4.44Å; W179-L210 WeakPolarHBondContact O-CD1 3.47Å
180G97.7Very high97.7Very high0 Ų030.2 Ų30.20%016%0.158CC..SBendtrans-106.6-150.1-173.700000114.5M185 N313G180-M185 PolarHBondContact N-O 2.8Å; G180-N313 PolarHBondContact O-ND2 2.79Å
181T97.6Very high97.6Very high18 Ų1831 Ų3111%0.1117%0.166CC..SBendtrans-108.410.8-170.660.50000114.5M185 A204 Y207 M208 N313 F314 Q315T181-M185 PolarHBondContact N-SD 3.01Å; T181-A204 HydrophobicContact CG2-CB 4.32Å; T181-Y207 HydrophobicContact CG2-CD1 3.49Å; T181-Y207 VanDerWaalsContact CG2-CD1 3.49Å; T181-Y207 HydrophobicContact CG2-CE1 4.18Å; T181-Y207 HydrophobicContact CG2-CG 4.01Å; T181-M208 HydrophobicContact CG2-CG 4.13Å; T181-M208 HydrophobicContact CG2-SD 4.19Å; T181-N313 CarbonylContact C-O 3.54Å; T181-F314 VanDerWaalsContact O-CA 3.32Å; T181-F314 WeakPolarHBondContact O-CA 3.31Å; T181-Q315 HydrophobicContact CG2-CG 3.73Å
182N97.1Very high97.6Very high24 Ų2431.2 Ų31.213%0.12817%0.171CC..SBendtrans-148.3169.81697143.3000109.5E184 M185 N313 F314N182-E184 VanDerWaalsContact C-N 3.33Å; N182-E184 PolarHBondContact ND2-OE1 2.86Å; N182-E184 PolarHBondContact O-N 2.84Å; N182-E184 WeakPolarHBondContact OD1-CA 3.5Å; N182-E184 WeakPolarHBondContact OD1-CG 3.39Å; N182-E184 PolarHBondContact OD1-N 2.67Å; N182-E184 PolarHBondContact OD1-OE1 3.42Å; N182-M185 PolarHBondContact O-N 3.21Å; N182-M185 PolarHBondContact OD1-N 2.62Å; N182-N313 WeakPolarHBondContact CA-OD1 3.5Å; N182-N313 PolarHBondContact N-ND2 2.75Å; N182-N313 PolarHBondContact O-ND2 2.95Å; N182-N313 PolarHBondContact O-OD1 2.86Å; N182-F314 HydrophobicContact CB-CD1 4.11Å; N182-F314 HydrophobicContact CB-CE1 3.89Å
183P97.1Very high97.7Very high0 Ų022.9 Ų22.90%013%0.132CC..THydrogen-bonded Turntrans-68.8-21.2-178-25.237000115.8I79 E116 M185 N313 L326I79-P183 HydrophobicContact CD1-CB 4.41Å; I79-P183 HydrophobicContact CG2-CB 3.9Å; E116-P183 HydrophobicContact CB-CG 4.25Å; E116-P183 HydrophobicContact CG-CG 3.99Å; P183-M185 PolarHBondContact O-N 2.76Å; P183-N313 WeakPolarHBondContact CD-OD1 3.16Å; P183-L326 HydrophobicContact CB-CD1 4.31Å; P183-L326 HydrophobicContact CG-CD1 4.03Å
184E97.3Very high97.7Very high67 Ų6724.6 Ų24.631%0.31314%0.144SC..THydrogen-bonded Turntrans-72.3-22.9176.293.1-143.6152.800112.2I79 T84 N182 G186I79-E184 HydrophobicContact CG2-CB 4.29Å; T84-E184 HydrophobicContact CG2-CB 3.8Å; T84-E184 HydrophobicContact CG2-CG 4.42Å; T84-E184 WeakPolarHBondContact CG2-OE2 3.33Å; T84-E184 PolarHBondContact N-OE2 2.84Å; T84-E184 PolarHBondContact OG1-OE2 3.24Å; N182-E184 VanDerWaalsContact C-N 3.33Å; N182-E184 PolarHBondContact ND2-OE1 2.86Å; N182-E184 PolarHBondContact O-N 2.84Å; N182-E184 WeakPolarHBondContact OD1-CA 3.5Å; N182-E184 WeakPolarHBondContact OD1-CG 3.39Å; N182-E184 PolarHBondContact OD1-N 2.67Å; N182-E184 PolarHBondContact OD1-OE1 3.42Å; E184-G186 PolarHBondContact O-N 2.81Å
185M98Very high97.7Very high20 Ų2026.7 Ų26.710%0.09916%0.162CC..SBendtrans-77.949.7172.6-60.5177-179.400110.5T178 W179 G180 T181 N182 P183 L201 A204T178-M185 CarbonylContact C-O 3.59Å; T178-M185 WeakPolarHBondContact CA-O 3.4Å; W179-M185 HydrophobicContact CD2-CB 4.39Å; W179-M185 HydrophobicContact CH2-CG 4.46Å; W179-M185 HydrophobicContact CH2-SD 4.34Å; W179-M185 HydrophobicContact CZ2-CB 3.98Å; W179-M185 HydrophobicContact CZ2-CG 4.07Å; W179-M185 PolarHBondContact N-O 2.53Å; W179-M185 PolarHBondContact NE1-O 3.3Å; G180-M185 PolarHBondContact N-O 2.8Å; T181-M185 PolarHBondContact N-SD 3.01Å; N182-M185 PolarHBondContact O-N 3.21Å; N182-M185 PolarHBondContact OD1-N 2.62Å; P183-M185 PolarHBondContact O-N 2.76Å; M185-L201 HydrophobicContact CE-CD2 4.24Å; M185-A204 HydrophobicContact CE-CB 3.95Å; M185-A204 HydrophobicContact SD-CB 3.68Å
186G98Very high97.6Very high13 Ų1328.3 Ų28.313%0.13418%0.176CC..EExtended strand (participates in β ladder)trans-98.5148.1174.700000112V177 E184V177-G186 WeakPolarHBondContact O-CA 3.35Å; E184-G186 PolarHBondContact O-N 2.81Å
187V98.2Very high97.5Very high12 Ų1232.9 Ų32.97%0.07321%0.206CC..EExtended strand (participates in β ladder)trans-132.7149.9169.5-71.10000110.3F176 V177 F193 P216F176-V187 WeakPolarHBondContact CA-O 3.31Å; F176-V187 WeakPolarHBondContact CD1-O 3.4Å; V177-V187 PolarHBondContact N-O 3.07Å; V177-V187 PolarHBondContact O-N 3.03Å; V187-F193 HydrophobicContact CG2-CD1 3.99Å; V187-F193 HydrophobicContact CG2-CE1 3.91Å; V187-P216 HydrophobicContact CG2-CG 3.91Å
188P98.2Very high97.4Very high42 Ų4235 Ų3527%0.27322%0.22SC..EExtended strand (participates in β ladder)trans-57.9150.2162.326.7-33.7000109.7V174 P175 F176 D190 G191V174-P188 HydrophobicContact CG2-CB 3.24Å; P175-P188 CarbonylContact O-C 3.55Å; F176-P188 HydrophobicContact CE2-CB 3.9Å; F176-P188 HydrophobicContact CZ-CB 3.97Å; F176-P188 HydrophobicContact CZ-CG 4.41Å; P188-D190 PolarHBondContact O-N 3.02Å; P188-G191 WeakPolarHBondContact O-CA 3.45Å; P188-G191 PolarHBondContact O-N 2.9Å
189F98Very high97.3Very high19 Ų1939.6 Ų39.68%0.08325%0.25CS..THydrogen-bonded Turntrans-57.7-35.7-175.2179.6-94.1000113.2P175 G191 P216 T217 M331 F341 V342 D343P175-F189 HydrophobicContact CB-CB 4.29Å; P175-F189 WeakPolarHBondContact O-CB 3.5Å; P175-F189 PolarHBondContact O-N 3.13Å; F189-G191 VanDerWaalsContact C-N 3.28Å; F189-P216 HydrophobicContact CD2-CB 3.92Å; F189-P216 HydrophobicContact CD2-CG 4.44Å; F189-P216 HydrophobicContact CE2-CB 4.01Å; F189-P216 WeakPolarHBondContact O-CG 3.46Å; F189-T217 HydrophobicContact CE1-CG2 4.35Å; F189-T217 HydrophobicContact CE2-CG2 4.27Å; F189-T217 HydrophobicContact CZ-CG2 3.59Å; F189-M331 HydrophobicContact CD2-CE 3.62Å; F189-M331 HydrophobicContact CE2-CE 4.16Å; F189-F341 HydrophobicContact CE2-CB 3.92Å; F189-V342 VanDerWaalsContact CZ-C 3.47Å; F189-D343 HydrophobicContact CD1-CB 3.56Å; F189-D343 HydrophobicContact CE1-CB 3.34Å; F189-D343 HydrophobicContact CG-CB 4.41Å; F189-D343 HydrophobicContact CZ-CB 3.98Å
190D96Very high97.2Very high96 Ų9644.1 Ų44.151%0.51328%0.275SS..THydrogen-bonded Turntrans-85.85.3176.744.425.8000113.8P188 R345P188-D190 PolarHBondContact O-N 3.02Å; D190-R345 IonicContact OD2-CZ 2.7Å; D190-R345 IonicContact OD2-NH1 2.91Å; D190-R345 PolarHBondContact OD2-NH1 2.81Å; D190-R345 IonicContact OD2-NH2 3.04Å; D190-R345 PolarHBondContact OD2-NH2 3.4Å
191G96.7Very high97.1Very high17 Ų1745.7 Ų45.718%0.17528%0.283CS..  trans-86.5166175.800000114.3P188 F189 P216P188-G191 WeakPolarHBondContact O-CA 3.45Å; P188-G191 PolarHBondContact O-N 2.9Å; F189-G191 VanDerWaalsContact C-N 3.28Å; G191-P216 WeakPolarHBondContact O-CD 3.33Å
192T97.9Very high97.1Very high89 Ų8948.7 Ų48.755%0.54630%0.296SS..  trans-107.7148.1173.3570000111Q214 T215T192-Q214 CarbonylContact C-O 3.57Å; T192-Q214 WeakPolarHBondContact CA-O 3.47Å; T192-T215 HydrophobicContact CG2-CG2 4.1Å
193F98.2Very high97.2Very high4 Ų453.2 Ų53.22%0.01832%0.315CS..PPolyproline II helixtrans-64.3138.5174-53-23.3000110.6W179 V187 F205 L210 G213 Q214 T215 P216 I219W179-F193 HydrophobicContact CB-CD1 3.46Å; W179-F193 VanDerWaalsContact CB-CD1 3.46Å; W179-F193 HydrophobicContact CB-CD2 4.27Å; W179-F193 HydrophobicContact CB-CE1 3.39Å; W179-F193 HydrophobicContact CB-CE2 4.23Å; W179-F193 HydrophobicContact CB-CG 3.95Å; W179-F193 HydrophobicContact CB-CZ 3.82Å; W179-F193 AromaticContact CD1-CD1 3.94Å; W179-F193 HydrophobicContact CD2-CB 4.44Å; W179-F193 HydrophobicContact CD2-CD1 4.45Å; W179-F193 HydrophobicContact CD2-CG 4.4Å; W179-F193 HydrophobicContact CG-CB 4.47Å; W179-F193 AromaticContact CG-CD1 3.65Å; W179-F193 HydrophobicContact CG-CD1 3.65Å; W179-F193 HydrophobicContact CG-CE1 4.11Å; W179-F193 HydrophobicContact CG-CG 4.03Å; V187-F193 HydrophobicContact CG2-CD1 3.99Å; V187-F193 HydrophobicContact CG2-CE1 3.91Å; F193-F205 HydrophobicContact CB-CE1 3.96Å; F193-F205 HydrophobicContact CB-CZ 4.07Å; F193-F205 HydrophobicContact CD2-CE1 4.45Å; F193-L210 HydrophobicContact CD2-CB 4.42Å; F193-L210 HydrophobicContact CD2-CD1 4.35Å; F193-L210 HydrophobicContact CE2-CB 4.41Å; F193-L210 HydrophobicContact CE2-CD1 3.77Å; F193-L210 HydrophobicContact CE2-CD2 4.33Å; F193-L210 HydrophobicContact CE2-CG 4.39Å; F193-L210 HydrophobicContact CZ-CD1 4.34Å; F193-G213 PolarHBondContact O-N 2.87Å; F193-Q214 HydrophobicContact CD2-CB 3.55Å; F193-Q214 HydrophobicContact CE2-CB 3.64Å; F193-Q214 WeakPolarHBondContact CG-O 3.43Å; F193-Q214 PolarHBondContact N-O 2.97Å; F193-T215 WeakPolarHBondContact CZ-O 3.49Å; F193-P216 HydrophobicContact CE1-CG 4.18Å; F193-I219 HydrophobicContact CE2-CG1 4.34Å; F193-I219 HydrophobicContact CZ-CD1 3.78Å; F193-I219 HydrophobicContact CZ-CG1 3.92Å
194P97.4Very high97.2Very high50 Ų5053.2 Ų53.233%0.32532%0.315SS..PPolyproline II helixtrans-67.6166.5-171.329.5-36.5000112.4W179 F205 P212W179-P194 HydrophobicContact CH2-CG 4.02Å; W179-P194 HydrophobicContact CZ2-CG 3.34Å; P194-F205 WeakPolarHBondContact O-CE2 3.46Å; P194-F205 WeakPolarHBondContact O-CZ 3.35Å; P194-P212 WeakPolarHBondContact O-CB 3.27Å
195A97.5Very high97.2Very high60 Ų6050.1 Ų50.150%0.49630%0.3SS..PPolyproline II helixtrans-63.4144.316800000111.2T197A195-T197 HydrophobicContact CB-CG2 3.9Å; A195-T197 PolarHBondContact O-N 2.67Å
196A95.8Very high97.2Very high34 Ų3454 Ų5428%0.28132%0.322SS..  trans-76.372.7173.800000110.7S198 F205 P212A196-S198 VanDerWaalsContact C-N 3.33Å; A196-S198 PolarHBondContact O-N 2.83Å; A196-F205 HydrophobicContact CB-CD2 3.83Å; A196-F205 HydrophobicContact CB-CE2 4.03Å; A196-P212 HydrophobicContact CB-CG 3.96Å
197T96.4Very high97.3Very high119 Ų11955 Ų5573%0.7332%0.321SS*.  trans-82.5-7.5-173.156.10000114.3A195 L201A195-T197 HydrophobicContact CB-CG2 3.9Å; A195-T197 PolarHBondContact O-N 2.67Å; T197-L201 WeakPolarHBondContact OG1-CD1 3.31Å
198S95.9Very high97.3Very high44 Ų4454.4 Ų54.431%0.30832%0.318SS..SBendtrans-138.7157.7179.4770000111.6A196 D200 L201 Q202A196-S198 VanDerWaalsContact C-N 3.33Å; A196-S198 PolarHBondContact O-N 2.83Å; S198-D200 PolarHBondContact O-N 2.96Å; S198-L201 PolarHBondContact O-N 2.85Å; S198-L201 WeakPolarHBondContact OG-CG 3.46Å; S198-L201 PolarHBondContact OG-N 2.83Å; S198-Q202 PolarHBondContact O-N 3.35Å
199P96.8Very high97.3Very high97 Ų9755.1 Ų55.163%0.6333%0.327SS*.Hα-helixtrans-56.6-32.4173.8-26.535.6000113.5Q202 K203P199-Q202 PolarHBondContact O-N 2.76Å; P199-K203 VanDerWaalsContact O-CG 3.3Å; P199-K203 WeakPolarHBondContact O-CG 3.3Å; P199-K203 PolarHBondContact O-N 2.99Å
200D95.2Very high97.3Very high101 Ų10154.7 Ų54.754%0.5433%0.326SS..Hα-helixtrans-75.1-37.3-179.9-66.8-27.7000112.3S198 Q202 K203 A204S198-D200 PolarHBondContact O-N 2.96Å; D200-Q202 VanDerWaalsContact C-N 3.34Å; D200-K203 PolarHBondContact O-N 3.1Å; D200-K203 IonicContact OD1-NZ 3.24Å; D200-K203 PolarHBondContact OD1-NZ 3Å; D200-A204 PolarHBondContact O-N 3.02Å; D200-A204 VanDerWaalsContact O-N 3.07Å
201L96.5Very high97.4Very high34 Ų3457.2 Ų57.218%0.17833%0.332CS..Hα-helixtrans-63.9-40.8169.8-69.7175.1000111.2W179 M185 T197 S198 K203 A204 F205W179-L201 HydrophobicContact CH2-CD2 3.89Å; W179-L201 HydrophobicContact CZ2-CD2 4.19Å; M185-L201 HydrophobicContact CE-CD2 4.24Å; T197-L201 WeakPolarHBondContact OG1-CD1 3.31Å; S198-L201 PolarHBondContact O-N 2.85Å; S198-L201 WeakPolarHBondContact OG-CG 3.46Å; S198-L201 PolarHBondContact OG-N 2.83Å; L201-K203 PolarHBondContact O-N 2.85Å; L201-A204 WeakPolarHBondContact O-CB 3.48Å; L201-A204 PolarHBondContact O-N 3.37Å; L201-F205 WeakPolarHBondContact O-CD2 3.2Å; L201-F205 PolarHBondContact O-N 2.63Å
202Q97.6Very high97.5Very high81 Ų8159.3 Ų59.338%0.37934%0.343SS..Hα-helixtrans-60.8-45.2176.3-173.260.555.400111.6S198 P199 D200 A204 F205 D206S198-Q202 PolarHBondContact O-N 3.35Å; P199-Q202 PolarHBondContact O-N 2.76Å; D200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A204 VanDerWaalsContact C-N 3.29Å; Q202-A204 PolarHBondContact O-N 2.81Å; Q202-F205 PolarHBondContact O-N 3Å; Q202-D206 PolarHBondContact NE2-OD1 3.38Å; Q202-D206 PolarHBondContact O-N 3Å
203K97.6Very high97.5Very high118 Ų11857.5 Ų57.551%0.51334%0.342SS..Hα-helixtrans-59.3-39.3175-71.1169.4-161.8157.60112.4P199 D200 L201 D206 Y207P199-K203 VanDerWaalsContact O-CG 3.3Å; P199-K203 WeakPolarHBondContact O-CG 3.3Å; P199-K203 PolarHBondContact O-N 2.99Å; D200-K203 PolarHBondContact O-N 3.1Å; D200-K203 IonicContact OD1-NZ 3.24Å; D200-K203 PolarHBondContact OD1-NZ 3Å; L201-K203 PolarHBondContact O-N 2.85Å; K203-D206 PolarHBondContact O-N 2.79Å; K203-Y207 VanDerWaalsContact O-CB 3.31Å; K203-Y207 WeakPolarHBondContact O-CB 3.41Å; K203-Y207 PolarHBondContact O-N 3.11Å
204A98.1Very high97.5Very high1 Ų159.8 Ų59.81%0.00835%0.353CS..Hα-helixtrans-64.1-44.8176.800000111.3W179 T181 M185 D200 L201 Q202 Y207 M208W179-A204 HydrophobicContact CZ3-CB 4.34Å; T181-A204 HydrophobicContact CG2-CB 4.32Å; M185-A204 HydrophobicContact CE-CB 3.95Å; M185-A204 HydrophobicContact SD-CB 3.68Å; D200-A204 PolarHBondContact O-N 3.02Å; D200-A204 VanDerWaalsContact O-N 3.07Å; L201-A204 WeakPolarHBondContact O-CB 3.48Å; L201-A204 PolarHBondContact O-N 3.37Å; Q202-A204 VanDerWaalsContact C-N 3.29Å; Q202-A204 PolarHBondContact O-N 2.81Å; A204-Y207 PolarHBondContact O-N 3.06Å; A204-M208 WeakPolarHBondContact O-CB 3.41Å; A204-M208 WeakPolarHBondContact O-CG 3.27Å; A204-M208 PolarHBondContact O-N 2.91Å
205F98.4Very high97.5Very high1 Ų159.2 Ų59.20%0.00435%0.348CS..Hα-helixtrans-60.9-46174-80.3-62.3000112.6W179 F193 P194 A196 L201 Q202 Y207 M208 A209 L210 P212W179-F205 HydrophobicContact CE3-CD1 4.08Å; W179-F205 AromaticContact CE3-CE1 3.6Å; W179-F205 HydrophobicContact CE3-CE1 3.6Å; W179-F205 AromaticContact CE3-CZ 3.89Å; W179-F205 HydrophobicContact CE3-CZ 3.89Å; W179-F205 HydrophobicContact CH2-CD2 4.31Å; W179-F205 HydrophobicContact CH2-CE1 4.19Å; W179-F205 AromaticContact CH2-CE2 3.74Å; W179-F205 HydrophobicContact CH2-CE2 3.74Å; W179-F205 AromaticContact CH2-CZ 3.66Å; W179-F205 HydrophobicContact CH2-CZ 3.66Å; W179-F205 HydrophobicContact CZ2-CZ 4.41Å; W179-F205 AromaticContact CZ3-CD1 3.73Å; W179-F205 HydrophobicContact CZ3-CD1 3.73Å; W179-F205 AromaticContact CZ3-CD2 3.98Å; W179-F205 HydrophobicContact CZ3-CD2 3.98Å; W179-F205 AromaticContact CZ3-CE1 3.41Å; W179-F205 HydrophobicContact CZ3-CE1 3.41Å; W179-F205 VanDerWaalsContact CZ3-CE1 3.41Å; W179-F205 AromaticContact CZ3-CE2 3.67Å; W179-F205 HydrophobicContact CZ3-CE2 3.67Å; W179-F205 AromaticContact CZ3-CG 4Å; W179-F205 HydrophobicContact CZ3-CG 4Å; W179-F205 AromaticContact CZ3-CZ 3.36Å; W179-F205 HydrophobicContact CZ3-CZ 3.36Å; F193-F205 HydrophobicContact CB-CE1 3.96Å; F193-F205 HydrophobicContact CB-CZ 4.07Å; F193-F205 HydrophobicContact CD2-CE1 4.45Å; P194-F205 WeakPolarHBondContact O-CE2 3.46Å; P194-F205 WeakPolarHBondContact O-CZ 3.35Å; A196-F205 HydrophobicContact CB-CD2 3.83Å; A196-F205 HydrophobicContact CB-CE2 4.03Å; L201-F205 WeakPolarHBondContact O-CD2 3.2Å; L201-F205 PolarHBondContact O-N 2.63Å; Q202-F205 PolarHBondContact O-N 3Å; F205-Y207 PolarHBondContact O-N 3.05Å; F205-M208 CarbonylContact O-C 3.55Å; F205-M208 PolarHBondContact O-N 2.96Å; F205-A209 WeakPolarHBondContact O-CA 3.39Å; F205-A209 PolarHBondContact O-N 2.98Å; F205-L210 HydrophobicContact CD1-CB 4.08Å; F205-L210 WeakPolarHBondContact CD1-O 3.33Å; F205-L210 PolarHBondContact O-N 3.02Å; F205-L210 VanDerWaalsContact O-N 3.13Å; F205-P212 HydrophobicContact CD2-CG 4.16Å; F205-P212 HydrophobicContact CE1-CG 4.42Å; F205-P212 HydrophobicContact CE2-CG 3.81Å; F205-P212 HydrophobicContact CZ-CB 4.45Å; F205-P212 HydrophobicContact CZ-CG 3.96Å
206D97.9Very high97.5Very high102 Ų10256.3 Ų56.355%0.54533%0.325SS..Hα-helixtrans-61.3-45.3179.1-65.6-18.3000111.2Q202 K203 A209Q202-D206 PolarHBondContact NE2-OD1 3.38Å; Q202-D206 PolarHBondContact O-N 3Å; K203-D206 PolarHBondContact O-N 2.79Å; D206-A209 PolarHBondContact O-N 3.08Å
207Y98.2Very high97.6Very high34 Ų3457.9 Ų57.913%0.13333%0.331CS..Hα-helixtrans-61-46.8177.1-177.3-93.2000111.6T181 K203 A204 F205 A209 Q315 G316 D321 A322 R323T181-Y207 HydrophobicContact CG2-CD1 3.49Å; T181-Y207 VanDerWaalsContact CG2-CD1 3.49Å; T181-Y207 HydrophobicContact CG2-CE1 4.18Å; T181-Y207 HydrophobicContact CG2-CG 4.01Å; K203-Y207 VanDerWaalsContact O-CB 3.31Å; K203-Y207 WeakPolarHBondContact O-CB 3.41Å; K203-Y207 PolarHBondContact O-N 3.11Å; A204-Y207 PolarHBondContact O-N 3.06Å; F205-Y207 PolarHBondContact O-N 3.05Å; Y207-A209 PolarHBondContact O-N 3.3Å; Y207-Q315 HydrophobicContact CD1-CG 3.98Å; Y207-Q315 HydrophobicContact CD2-CB 4.38Å; Y207-Q315 HydrophobicContact CD2-CG 3.87Å; Y207-Q315 HydrophobicContact CE1-CB 4.21Å; Y207-Q315 HydrophobicContact CE1-CG 3.87Å; Y207-Q315 HydrophobicContact CE2-CB 3.79Å; Y207-Q315 HydrophobicContact CE2-CG 3.77Å; Y207-Q315 HydrophobicContact CG-CG 3.98Å; Y207-Q315 WeakPolarHBondContact OH-CA 3.36Å; Y207-G316 PolarHBondContact OH-N 2.84Å; Y207-D321 WeakPolarHBondContact OH-CA 3.45Å; Y207-A322 WeakPolarHBondContact CE1-O 3.19Å; Y207-A322 PolarHBondContact OH-O 2.99Å; Y207-R323 PolarHBondContact O-NE 2.86Å
208M98.4Very high97.7Very high0 Ų055.9 Ų55.90%032%0.316CS..Hα-helixtrans-77.8-7.4-179.4-60.8-60.3-73.200112.7W179 T181 A204 F205 L210 H305 R323 H325W179-M208 WeakPolarHBondContact O-CE 3.39Å; W179-M208 WeakPolarHBondContact O-CG 3.48Å; T181-M208 HydrophobicContact CG2-CG 4.13Å; T181-M208 HydrophobicContact CG2-SD 4.19Å; A204-M208 WeakPolarHBondContact O-CB 3.41Å; A204-M208 WeakPolarHBondContact O-CG 3.27Å; A204-M208 PolarHBondContact O-N 2.91Å; F205-M208 CarbonylContact O-C 3.55Å; F205-M208 PolarHBondContact O-N 2.96Å; M208-L210 HydrophobicContact CB-CB 4.4Å; M208-L210 HydrophobicContact CB-CD1 4.07Å; M208-L210 HydrophobicContact CB-CG 4.07Å; M208-L210 PolarHBondContact O-N 3.35Å; M208-H305 PolarHBondContact O-CE1 3.45Å; M208-H305 PolarHBondContact O-NE2 3.46Å; M208-R323 HydrophobicContact CE-CB 3.83Å; M208-R323 VanDerWaalsContact O-CD 3.31Å; M208-R323 WeakPolarHBondContact O-CD 3.4Å; M208-R323 PolarHBondContact O-NE 3.48Å; M208-R323 HydrophobicContact SD-CB 3.86Å; M208-R323 HydrophobicContact SD-CG 4.1Å; M208-H325 WeakPolarHBondContact CE-CE1 3.36Å; M208-H325 WeakPolarHBondContact CE-NE2 3.31Å
209A98.3Very high97.8Very high57 Ų5753.8 Ų53.847%0.47130%0.301SS..THydrogen-bonded Turntrans43.541.3-168.100000113.8F205 D206 Y207 R323F205-A209 WeakPolarHBondContact O-CA 3.39Å; F205-A209 PolarHBondContact O-N 2.98Å; D206-A209 PolarHBondContact O-N 3.08Å; Y207-A209 PolarHBondContact O-N 3.3Å; A209-R323 VanDerWaalsContact CB-NH1 3.31Å; A209-R323 VanDerWaalsContact CB-NH2 3.32Å
210L98.3Very high97.9Very high9 Ų953 Ų535%0.04730%0.296CS..  trans-108.6169172.3-64.5175.7000109.3W179 F193 F205 M208 I219W179-L210 HydrophobicContact CB-CD1 4.44Å; W179-L210 WeakPolarHBondContact O-CD1 3.47Å; F193-L210 HydrophobicContact CD2-CB 4.42Å; F193-L210 HydrophobicContact CD2-CD1 4.35Å; F193-L210 HydrophobicContact CE2-CB 4.41Å; F193-L210 HydrophobicContact CE2-CD1 3.77Å; F193-L210 HydrophobicContact CE2-CD2 4.33Å; F193-L210 HydrophobicContact CE2-CG 4.39Å; F193-L210 HydrophobicContact CZ-CD1 4.34Å; F205-L210 HydrophobicContact CD1-CB 4.08Å; F205-L210 WeakPolarHBondContact CD1-O 3.33Å; F205-L210 PolarHBondContact O-N 3.02Å; F205-L210 VanDerWaalsContact O-N 3.13Å; M208-L210 HydrophobicContact CB-CB 4.4Å; M208-L210 HydrophobicContact CB-CD1 4.07Å; M208-L210 HydrophobicContact CB-CG 4.07Å; M208-L210 PolarHBondContact O-N 3.35Å; L210-I219 HydrophobicContact CD1-CD1 4.43Å; L210-I219 HydrophobicContact CD1-CG1 4.18Å; L210-I219 HydrophobicContact CD2-CG1 4.19Å
211K98.2Very high98Very high149 Ų14948.5 Ų48.565%0.64827%0.272SS*.  trans-128.9148.1-179.4-63-180-176.7176.10110.4Q214K211-Q214 HydrophobicContact CB-CG 4.28Å; K211-Q214 WeakPolarHBondContact O-CB 3.2Å; K211-Q214 PolarHBondContact O-N 3.31Å
212P98.1Very high98.1Very high61 Ų6147.7 Ų47.740%0.39627%0.271SS..THydrogen-bonded Turntrans-48.8142.7166.9-3137.8000112.9P194 A196 F205 Q214P194-P212 WeakPolarHBondContact O-CB 3.27Å; A196-P212 HydrophobicContact CB-CG 3.96Å; F205-P212 HydrophobicContact CD2-CG 4.16Å; F205-P212 HydrophobicContact CE1-CG 4.42Å; F205-P212 HydrophobicContact CE2-CG 3.81Å; F205-P212 HydrophobicContact CZ-CB 4.45Å; F205-P212 HydrophobicContact CZ-CG 3.96Å; P212-Q214 PolarHBondContact O-N 3.3Å
213G98.1Very high98.1Very high52 Ų5244.9 Ų44.954%0.53626%0.258SS..THydrogen-bonded Turntrans80.1-9.5178.600000115.6F193F193-G213 PolarHBondContact O-N 2.87Å
214Q98.3Very high98.2Very high51 Ų5139.3 Ų39.324%0.23823%0.233CC..  trans-65.8168.2165.1-70.8-174.3-63.500110.9T192 F193 K211 P212 D218T192-Q214 CarbonylContact C-O 3.57Å; T192-Q214 WeakPolarHBondContact CA-O 3.47Å; F193-Q214 HydrophobicContact CD2-CB 3.55Å; F193-Q214 HydrophobicContact CE2-CB 3.64Å; F193-Q214 WeakPolarHBondContact CG-O 3.43Å; F193-Q214 PolarHBondContact N-O 2.97Å; K211-Q214 HydrophobicContact CB-CG 4.28Å; K211-Q214 WeakPolarHBondContact O-CB 3.2Å; K211-Q214 PolarHBondContact O-N 3.31Å; P212-Q214 PolarHBondContact O-N 3.3Å; Q214-D218 WeakPolarHBondContact CA-OD2 3.4Å; Q214-D218 HydrophobicContact CB-CB 4.06Å; Q214-D218 HydrophobicContact CG-CB 4.25Å
215T98.3Very high98.2Very high38 Ų3839.2 Ų39.223%0.23323%0.233CC..  trans-124.3165-17759.60000110.1T192 F193 T217 D218T192-T215 HydrophobicContact CG2-CG2 4.1Å; F193-T215 WeakPolarHBondContact CZ-O 3.49Å; T215-T217 PolarHBondContact O-N 2.94Å; T215-T217 VanDerWaalsContact O-N 3.12Å; T215-T217 PolarHBondContact OG1-OG1 3.11Å; T215-D218 PolarHBondContact N-OD2 2.82Å; T215-D218 WeakPolarHBondContact O-CB 3.42Å; T215-D218 PolarHBondContact O-N 3.36Å; T215-D218 PolarHBondContact OG1-OD2 3.22Å
216P98.3Very high98.1Very high0 Ų039.2 Ų39.20%023%0.233CC..G310 helixtrans-51.2-33.7173.7-31.139000114.1V177 V187 F189 G191 F193 D218 I219 F341V177-P216 HydrophobicContact CG2-CB 4.47Å; V187-P216 HydrophobicContact CG2-CG 3.91Å; F189-P216 HydrophobicContact CD2-CB 3.92Å; F189-P216 HydrophobicContact CD2-CG 4.44Å; F189-P216 HydrophobicContact CE2-CB 4.01Å; F189-P216 WeakPolarHBondContact O-CG 3.46Å; G191-P216 WeakPolarHBondContact O-CD 3.33Å; F193-P216 HydrophobicContact CE1-CG 4.18Å; P216-D218 PolarHBondContact O-N 3.2Å; P216-I219 PolarHBondContact O-N 3.14Å; P216-F341 HydrophobicContact CB-CB 4.3Å
217T97.9Very high98Very high67 Ų6734.3 Ų34.341%0.41121%0.207SC..G310 helixtrans-66.9-21.4177.854.10000113.8F189 T215 I219 F341F189-T217 HydrophobicContact CE1-CG2 4.35Å; F189-T217 HydrophobicContact CE2-CG2 4.27Å; F189-T217 HydrophobicContact CZ-CG2 3.59Å; T215-T217 PolarHBondContact O-N 2.94Å; T215-T217 VanDerWaalsContact O-N 3.12Å; T215-T217 PolarHBondContact OG1-OG1 3.11Å; T217-I219 VanDerWaalsContact C-N 3.28Å; T217-I219 PolarHBondContact O-N 3.28Å; T217-F341 WeakPolarHBondContact CG2-O 3.42Å
218D97.9Very high97.5Very high76 Ų7632.9 Ų32.941%0.40620%0.202SC..G310 helixtrans-80.5-6.2179.9-62.3-55.3000113.5Q214 T215 P216 P220Q214-D218 WeakPolarHBondContact CA-OD2 3.4Å; Q214-D218 HydrophobicContact CB-CB 4.06Å; Q214-D218 HydrophobicContact CG-CB 4.25Å; T215-D218 PolarHBondContact N-OD2 2.82Å; T215-D218 WeakPolarHBondContact O-CB 3.42Å; T215-D218 PolarHBondContact O-N 3.36Å; T215-D218 PolarHBondContact OG1-OD2 3.22Å; P216-D218 PolarHBondContact O-N 3.2Å; D218-P220 WeakPolarHBondContact O-CD 3.42Å
219I98.2Very high97Very high1 Ų134.8 Ų34.81%0.00521%0.214CC..  trans-78.5116.6-178.9-59.6171.5000109.3V177 F193 L210 P216 T217 I221 H305 H325 F341V177-I219 HydrophobicContact CG1-CD1 4.47Å; F193-I219 HydrophobicContact CE2-CG1 4.34Å; F193-I219 HydrophobicContact CZ-CD1 3.78Å; F193-I219 HydrophobicContact CZ-CG1 3.92Å; L210-I219 HydrophobicContact CD1-CD1 4.43Å; L210-I219 HydrophobicContact CD1-CG1 4.18Å; L210-I219 HydrophobicContact CD2-CG1 4.19Å; P216-I219 PolarHBondContact O-N 3.14Å; T217-I219 VanDerWaalsContact C-N 3.28Å; T217-I219 PolarHBondContact O-N 3.28Å; I219-I221 HydrophobicContact CG2-CD1 3.64Å; I219-I221 HydrophobicContact CG2-CG1 4.4Å; I219-I221 PolarHBondContact O-N 3.49Å; I219-I221 VanDerWaalsContact O-N 3.09Å; I219-H305 HydrophobicContact CG2-CB 3.99Å; I219-H325 WeakPolarHBondContact CG2-NE2 3.48Å; I219-F341 HydrophobicContact CB-CD2 4.14Å; I219-F341 HydrophobicContact CB-CE2 4.39Å; I219-F341 HydrophobicContact CD1-CD2 3.85Å; I219-F341 HydrophobicContact CD1-CE2 3.84Å; I219-F341 HydrophobicContact CG2-CD2 4.49Å; I219-F341 HydrophobicContact CG2-CE2 4.29Å
220P97.2Very high96.6Very high81 Ų8132.1 Ų32.153%0.52619%0.192SC..  trans-82.590.8-178.133.1-33000110.4D218 G222 H305D218-P220 WeakPolarHBondContact O-CD 3.42Å; P220-G222 PolarHBondContact O-N 3.5Å; P220-H305 WeakPolarHBondContact O-CB 3.48Å
221I98.5Very high96.3Very high6 Ų631.8 Ų31.83%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-68.9124-176.6-60.6-61.3000109.7I219 Y223 V224 V253 H305 A307 A335 G339 F341I219-I221 HydrophobicContact CG2-CD1 3.64Å; I219-I221 HydrophobicContact CG2-CG1 4.4Å; I219-I221 PolarHBondContact O-N 3.49Å; I219-I221 VanDerWaalsContact O-N 3.09Å; I221-Y223 VanDerWaalsContact CG2-O 3.23Å; I221-Y223 WeakPolarHBondContact CG2-O 3.48Å; I221-V224 HydrophobicContact CG2-CG2 3.76Å; I221-V253 HydrophobicContact CG2-CG2 4.48Å; I221-V253 WeakPolarHBondContact O-CG2 3.3Å; I221-H305 HydrophobicContact CD1-CB 4.3Å; I221-A307 HydrophobicContact CD1-CB 4.02Å; I221-A307 HydrophobicContact CG2-CB 4.32Å; I221-A335 HydrophobicContact CG1-CB 4.32Å; I221-A335 HydrophobicContact CG2-CB 4.44Å; I221-G339 PolarHBondContact N-O 3Å; I221-F341 HydrophobicContact CD1-CD2 4.18Å; I221-F341 HydrophobicContact CD1-CE2 3.68Å; I221-F341 HydrophobicContact CD1-CZ 4.03Å; I221-F341 HydrophobicContact CG1-CD2 4.44Å; I221-F341 HydrophobicContact CG1-CE2 4.38Å
222G98.3Very high96.1Very high16 Ų1624.7 Ų24.717%0.16516%0.16CC..EExtended strand (participates in β ladder)trans-115.7-10.1172.900000113.2P220 T254 H305P220-G222 PolarHBondContact O-N 3.5Å; G222-T254 PolarHBondContact O-N 3.09Å; G222-H305 PolarHBondContact N-O 3.35Å
223Y98.2Very high96Very high23 Ų2321.9 Ų21.99%0.0914%0.141CC..EExtended strand (participates in β ladder)trans-140.3145.7178.6-128.6-95.3000111.2I221 T254 I256 M291 V300 H305 C306 A307I221-Y223 VanDerWaalsContact CG2-O 3.23Å; I221-Y223 WeakPolarHBondContact CG2-O 3.48Å; Y223-T254 CarbonylContact C-O 3.52Å; Y223-T254 VanDerWaalsContact CA-O 3.29Å; Y223-T254 WeakPolarHBondContact CA-O 3.37Å; Y223-T254 HydrophobicContact CD2-CG2 4.28Å; Y223-T254 HydrophobicContact CE1-CG2 4.25Å; Y223-T254 HydrophobicContact CE2-CG2 3.52Å; Y223-T254 VanDerWaalsContact CZ-CG2 3.49Å; Y223-T254 WeakPolarHBondContact OH-CG2 3.34Å; Y223-I256 HydrophobicContact CE1-CD1 4.48Å; Y223-I256 HydrophobicContact CE1-CG2 4.08Å; Y223-M291 HydrophobicContact CD1-CE 3.58Å; Y223-M291 HydrophobicContact CD1-SD 3.89Å; Y223-M291 HydrophobicContact CE1-CE 3.75Å; Y223-M291 HydrophobicContact CE1-SD 3.68Å; Y223-V300 HydrophobicContact CD1-CG2 4.19Å; Y223-V300 HydrophobicContact CG-CG2 4.47Å; Y223-H305 PolarHBondContact N-O 3.46Å; Y223-C306 CarbonylContact O-C 3.5Å; Y223-C306 VanDerWaalsContact O-CA 3.23Å; Y223-C306 WeakPolarHBondContact O-CA 3.4Å; Y223-A307 PolarHBondContact O-N 2.87Å
224V98.5Very high95.9Very high0 Ų021.5 Ų21.50%013%0.126CC..EExtended strand (participates in β ladder)trans-132.7134.4173.5174.90000110.7I221 I226 V253 T254 A255 I256 F282 A307 A332 A335 A336I221-V224 HydrophobicContact CG2-CG2 3.76Å; V224-I226 HydrophobicContact CG1-CG1 4.08Å; V224-V253 HydrophobicContact CB-CG1 4.41Å; V224-V253 HydrophobicContact CG2-CG1 3.8Å; V224-T254 PolarHBondContact N-O 3.41Å; V224-A255 HydrophobicContact CB-CB 4.12Å; V224-I256 PolarHBondContact O-N 2.86Å; V224-F282 HydrophobicContact CG1-CE1 4.31Å; V224-A307 CarbonylContact C-O 3.02Å; V224-A307 WeakPolarHBondContact CA-O 3.32Å; V224-A307 HydrophobicContact CG2-CB 4.25Å; V224-A332 HydrophobicContact CG1-CB 4.1Å; V224-A332 WeakPolarHBondContact CG1-O 3.44Å; V224-A335 HydrophobicContact CG2-CB 4.44Å; V224-A336 HydrophobicContact CB-CB 4.19Å; V224-A336 HydrophobicContact CG1-CB 4.18Å; V224-A336 HydrophobicContact CG2-CB 3.89Å
225F97.8Very high95.9Very high0 Ų020.8 Ų20.80%013%0.127CC..EExtended strand (participates in β ladder)trans-120.6112.6173.9-173.1-135.1000111.5I256 V258 M291 C292 A307 S308 T309F225-I256 HydrophobicContact CD2-CD1 3.71Å; F225-I256 HydrophobicContact CD2-CG1 3.66Å; F225-I256 HydrophobicContact CE2-CD1 4.21Å; F225-I256 HydrophobicContact CE2-CG1 4.41Å; F225-V258 HydrophobicContact CE2-CB 3.96Å; F225-V258 HydrophobicContact CE2-CG2 3.78Å; F225-M291 HydrophobicContact CB-CE 3.33Å; F225-M291 HydrophobicContact CD1-CB 4.41Å; F225-M291 HydrophobicContact CD2-CB 4.01Å; F225-M291 HydrophobicContact CD2-CE 3.87Å; F225-M291 HydrophobicContact CE1-CB 4.43Å; F225-M291 HydrophobicContact CE2-CB 4.03Å; F225-M291 HydrophobicContact CG-CB 4.2Å; F225-M291 HydrophobicContact CG-CE 3.69Å; F225-M291 HydrophobicContact CZ-CB 4.25Å; F225-C292 HydrophobicContact CE1-CB 3.99Å; F225-C292 HydrophobicContact CZ-CB 4.34Å; F225-A307 PolarHBondContact N-O 3.49Å; F225-S308 WeakPolarHBondContact CD1-OG 3.2Å; F225-T309 WeakPolarHBondContact O-CG2 3.45Å; F225-T309 PolarHBondContact O-N 2.89Å; F225-T309 PolarHBondContact O-OG1 3.46Å
226I98.1Very high95.8Very high0 Ų019.8 Ų19.80%012%0.12CC..EExtended strand (participates in β ladder)trans-109.2118167.9-57.2179.2000108.3V224 L237 A240 I256 V257 V258 F282 T309 A332 A333V224-I226 HydrophobicContact CG1-CG1 4.08Å; I226-L237 HydrophobicContact CG2-CD2 4.38Å; I226-A240 HydrophobicContact CD1-CB 3.86Å; I226-A240 HydrophobicContact CG2-CB 4.27Å; I226-I256 PolarHBondContact N-O 2.97Å; I226-V257 HydrophobicContact CB-CG1 4.48Å; I226-V257 HydrophobicContact CB-CG2 4.04Å; I226-V257 HydrophobicContact CD1-CG2 4.48Å; I226-V257 HydrophobicContact CG2-CG1 4.49Å; I226-V257 CarbonylContact O-C 3.59Å; I226-V257 VanDerWaalsContact O-CA 3.3Å; I226-V257 WeakPolarHBondContact O-CA 3.49Å; I226-V258 PolarHBondContact O-N 2.95Å; I226-F282 HydrophobicContact CD1-CE1 3.83Å; I226-F282 HydrophobicContact CD1-CZ 4.14Å; I226-F282 HydrophobicContact CG1-CE1 4.4Å; I226-T309 HydrophobicContact CB-CG2 4.46Å; I226-T309 HydrophobicContact CG1-CG2 4.29Å; I226-T309 HydrophobicContact CG2-CG2 4.42Å; I226-A332 HydrophobicContact CD1-CB 4.3Å; I226-A332 HydrophobicContact CG1-CB 3.84Å; I226-A333 HydrophobicContact CD1-CB 4.02Å
227G94.5Very high95.8Very high0 Ų019.8 Ų19.80%012%0.12CC..EExtended strand (participates in β ladder)trans148.2-155.3-17600000113.5N231 V258 T309G227-N231 CarbonylContact C-O 3.58Å; G227-N231 WeakPolarHBondContact CA-O 3.45Å; G227-N231 PolarHBondContact N-O 2.87Å; G227-N231 CarbonylContact O-C 3.55Å; G227-V258 WeakPolarHBondContact CA-O 3.28Å; G227-T309 PolarHBondContact N-OG1 3.32Å; G227-T309 PolarHBondContact O-OG1 3.23Å
228S88.7Confident95.8Very high4 Ų420.1 Ų20.13%0.02812%0.117CC..THydrogen-bonded Turntrans85.6174.7-171.983.10000115.7T230 G232 C292S228-T230 PolarHBondContact O-N 3.05Å; S228-T230 PolarHBondContact OG-N 3.07Å; S228-T230 VanDerWaalsContact OG-N 3.1Å; S228-G232 WeakPolarHBondContact O-CA 3.18Å; S228-G232 PolarHBondContact O-N 2.77Å; S228-G232 VanDerWaalsContact O-N 3.08Å; S228-C292 VanDerWaalsContact CB-SG 3.59Å
229C87.3Confident95.8Very high40 Ų4018.3 Ų18.327%0.2711%0.106SC..THydrogen-bonded Turntrans-66-19.617259.20000113.1M1 R233M1-C229 HydrophobicContact CG-CB 4.08Å; C229-R233 PolarHBondContact O-NH1 2.76Å
230T89.1Confident95.7Very high0 Ų018.3 Ų18.30%011%0.106CC..THydrogen-bonded Turntrans-83.1-38.8-178.8-47.40000112.6T109 N112 M113 S228 R233 N311T109-T230 HydrophobicContact CG2-CG2 4.14Å; T109-T230 PolarHBondContact OG1-O 3.28Å; T109-T230 VanDerWaalsContact OG1-O 3.09Å; N112-T230 PolarHBondContact OD1-OG1 2.81Å; M113-T230 HydrophobicContact CG-CG2 3.86Å; M113-T230 HydrophobicContact SD-CG2 3.81Å; S228-T230 PolarHBondContact O-N 3.05Å; S228-T230 PolarHBondContact OG-N 3.07Å; S228-T230 VanDerWaalsContact OG-N 3.1Å; T230-R233 PolarHBondContact O-NH1 2.97Å; T230-R233 PolarHBondContact O-NH2 3.38Å; T230-N311 HydrophobicContact CG2-CB 4.31Å; T230-N311 WeakPolarHBondContact OG1-CB 3.29Å; T230-N311 PolarHBondContact OG1-ND2 2.89Å
231N93.1Very high95.8Very high3 Ų314.7 Ų14.72%0.0168%0.083CC..SBendtrans-154.155.4-173-72.3114.2000111.7K72 T109 G227 D236 T309 P329K72-N231 PolarHBondContact NZ-OD1 3.28Å; T109-N231 PolarHBondContact OG1-ND2 3Å; G227-N231 CarbonylContact C-O 3.58Å; G227-N231 WeakPolarHBondContact CA-O 3.45Å; G227-N231 PolarHBondContact N-O 2.87Å; G227-N231 CarbonylContact O-C 3.55Å; N231-D236 WeakPolarHBondContact CA-OD2 3.46Å; N231-D236 PolarHBondContact ND2-OD1 3.47Å; N231-T309 PolarHBondContact OD1-O 2.91Å; N231-P329 HydrophobicContact CB-CG 3.81Å
232G94.1Very high95.7Very high0 Ų020.6 Ų20.60%011%0.109CC..  trans-125.319.5175.900000112.7S228 D236 G260S228-G232 WeakPolarHBondContact O-CA 3.18Å; S228-G232 PolarHBondContact O-N 2.77Å; S228-G232 VanDerWaalsContact O-N 3.08Å; G232-D236 PolarHBondContact N-OD2 3Å; G232-G260 WeakPolarHBondContact O-CA 3.36Å; G232-G260 PolarHBondContact O-N 2.95Å
233R96Very high95.7Very high2 Ų220.1 Ų20.11%0.00810%0.102CC..SBendtrans-85.4175.9-178.9-66.2173.7-77.5-79.15.3111M1 E105 M108 T109 C229 T230 S235 D236 L237M1-R233 HydrophobicContact CE-CB 4.42Å; M1-R233 HydrophobicContact CE-CG 3.34Å; M1-R233 HydrophobicContact SD-CG 3.9Å; E105-R233 HydrophobicContact CB-CB 4.33Å; E105-R233 HydrophobicContact CG-CB 4.15Å; E105-R233 VanDerWaalsContact O-CZ 3.31Å; E105-R233 PolarHBondContact O-NE 3.42Å; E105-R233 VanDerWaalsContact O-NE 3.13Å; E105-R233 PolarHBondContact O-NH2 3.36Å; E105-R233 WeakPolarHBondContact OE1-CB 2.98Å; E105-R233 WeakPolarHBondContact OE2-CB 3.3Å; M108-R233 VanDerWaalsContact CE-CD 3.46Å; T109-R233 PolarHBondContact OG1-NH2 3.13Å; C229-R233 PolarHBondContact O-NH1 2.76Å; T230-R233 PolarHBondContact O-NH1 2.97Å; T230-R233 PolarHBondContact O-NH2 3.38Å; R233-S235 PolarHBondContact O-N 2.99Å; R233-D236 WeakPolarHBondContact CB-OD2 3.34Å; R233-D236 PolarHBondContact N-OD2 3.06Å; R233-D236 IonicContact NE-OD2 3Å; R233-D236 PolarHBondContact O-N 2.82Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 3.08Å; R233-L237 VanDerWaalsContact O-N 3.17Å
234L96.5Very high95.7Very high43 Ų4319.1 Ų19.123%0.22510%0.098CC..Hα-helixtrans-64.3-40.9-171.9-175.661.1000111.8E105 L237 Q238 V264 A267 A268 I271 L273E105-L234 PolarHBondContact OE2-N 2.87Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-Q238 HydrophobicContact CD1-CG 4.47Å; L234-Q238 HydrophobicContact CG-CG 4.42Å; L234-Q238 VanDerWaalsContact O-CG 3.27Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.24Å; L234-V264 HydrophobicContact CB-CG1 4.4Å; L234-A267 HydrophobicContact CD1-CB 4.29Å; L234-A267 HydrophobicContact CD2-CB 4.09Å; L234-A268 HydrophobicContact CD1-CB 4.06Å; L234-I271 HydrophobicContact CD1-CD1 4.28Å; L234-L273 HydrophobicContact CD1-CD1 4.2Å
235S96.5Very high95.6Very high37 Ų3725.3 Ų25.326%0.25913%0.127SC..Hα-helixtrans-65.6-38.4178.165.20000112.5E105 R233 L237 Q238 E239E105-S235 WeakPolarHBondContact CB-OG 3.38Å; E105-S235 WeakPolarHBondContact OE2-CA 3.09Å; E105-S235 WeakPolarHBondContact OE2-CB 3.49Å; E105-S235 PolarHBondContact OE2-N 3.49Å; E105-S235 PolarHBondContact OE2-OG 2.86Å; R233-S235 PolarHBondContact O-N 2.99Å; S235-L237 VanDerWaalsContact C-N 3.31Å; S235-L237 PolarHBondContact O-N 3.38Å; S235-Q238 PolarHBondContact O-N 3.35Å; S235-E239 WeakPolarHBondContact O-CB 3.36Å; S235-E239 PolarHBondContact O-N 3.43Å
236D97.5Very high95.6Very high16 Ų1628.7 Ų28.79%0.08616%0.162CC..Hα-helixtrans-59.2-44.8175.5-60-68000110.7N231 G232 R233 E239 A240 P329N231-D236 WeakPolarHBondContact CA-OD2 3.46Å; N231-D236 PolarHBondContact ND2-OD1 3.47Å; G232-D236 PolarHBondContact N-OD2 3Å; R233-D236 WeakPolarHBondContact CB-OD2 3.34Å; R233-D236 PolarHBondContact N-OD2 3.06Å; R233-D236 IonicContact NE-OD2 3Å; R233-D236 PolarHBondContact O-N 2.82Å; D236-E239 PolarHBondContact O-N 3.18Å; D236-A240 PolarHBondContact O-N 3.3Å; D236-A240 VanDerWaalsContact O-N 3.07Å; D236-P329 HydrophobicContact CB-CB 4.41Å; D236-P329 HydrophobicContact CB-CG 3.9Å
237L98Very high95.6Very high0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-69.7-40.1179.4-63.5176.9000112.1I226 R233 L234 S235 E239 A241 V257 P259 V264 A268 L273 F277 W284I226-L237 HydrophobicContact CG2-CD2 4.38Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 3.08Å; R233-L237 VanDerWaalsContact O-N 3.17Å; L234-L237 PolarHBondContact O-N 3.41Å; S235-L237 VanDerWaalsContact C-N 3.31Å; S235-L237 PolarHBondContact O-N 3.38Å; L237-E239 VanDerWaalsContact C-N 3.32Å; L237-A241 WeakPolarHBondContact O-CB 3.23Å; L237-A241 PolarHBondContact O-N 2.97Å; L237-V257 HydrophobicContact CD2-CG1 3.43Å; L237-V257 VanDerWaalsContact CD2-CG1 3.43Å; L237-P259 HydrophobicContact CD1-CB 4.16Å; L237-P259 HydrophobicContact CD1-CG 4.23Å; L237-V264 HydrophobicContact CD1-CG1 3.83Å; L237-A268 HydrophobicContact CD1-CB 4.15Å; L237-L273 HydrophobicContact CB-CD1 3.9Å; L237-F277 HydrophobicContact CB-CE2 4.42Å; L237-F277 HydrophobicContact CD2-CE2 4.43Å; L237-F277 WeakPolarHBondContact O-CZ 3.46Å; L237-W284 HydrophobicContact CD1-CH2 4.1Å
238Q97.8Very high95.8Very high75 Ų7538.1 Ų38.135%0.3520%0.203SC..Hα-helixtrans-61.1-43.4175.1-75.1173.6-41.800111L234 S235 A241 K242 I271 L273L234-Q238 HydrophobicContact CD1-CG 4.47Å; L234-Q238 HydrophobicContact CG-CG 4.42Å; L234-Q238 VanDerWaalsContact O-CG 3.27Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.24Å; S235-Q238 PolarHBondContact O-N 3.35Å; Q238-A241 PolarHBondContact O-N 3.05Å; Q238-K242 WeakPolarHBondContact O-CG 3.23Å; Q238-K242 PolarHBondContact O-N 3.35Å; Q238-K242 VanDerWaalsContact O-N 3.11Å; Q238-I271 HydrophobicContact CG-CD1 4.23Å; Q238-L273 HydrophobicContact CB-CD1 4.47Å; Q238-L273 HydrophobicContact CG-CD1 3.75Å
239E97.1Very high96.3Very high38 Ų3838.8 Ų38.818%0.17821%0.207CC..Hα-helixtrans-66.3-46.1-179.7-169.462.4-170.700112Y70 S235 D236 L237 A241 K242Y70-E239 HydrophobicContact CE1-CG 3.66Å; Y70-E239 PolarHBondContact OH-OE1 2.96Å; S235-E239 WeakPolarHBondContact O-CB 3.36Å; S235-E239 PolarHBondContact O-N 3.43Å; D236-E239 PolarHBondContact O-N 3.18Å; L237-E239 VanDerWaalsContact C-N 3.32Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.41Å; E239-K242 PolarHBondContact O-N 3.14Å; E239-K242 IonicContact OE2-NZ 2.8Å; E239-K242 PolarHBondContact OE2-NZ 3.43Å
240A97.9Very high96.8Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-62.6-38.6173.900000112.3I226 D236 K242 I243 V244 F277 A333I226-A240 HydrophobicContact CD1-CB 3.86Å; I226-A240 HydrophobicContact CG2-CB 4.27Å; D236-A240 PolarHBondContact O-N 3.3Å; D236-A240 VanDerWaalsContact O-N 3.07Å; A240-K242 PolarHBondContact O-N 2.94Å; A240-I243 PolarHBondContact O-N 2.88Å; A240-V244 PolarHBondContact O-N 3.25Å; A240-F277 HydrophobicContact CB-CE1 4.03Å; A240-F277 HydrophobicContact CB-CZ 3.79Å; A240-A333 HydrophobicContact CB-CB 4Å
241A98Very high97.2Very high5 Ų548 Ų484%0.04125%0.252CS..Hα-helixtrans-61.7-43.5178.700000112.4L237 Q238 E239 I243 V244 E245 L273 V276 F277L237-A241 WeakPolarHBondContact O-CB 3.23Å; L237-A241 PolarHBondContact O-N 2.97Å; Q238-A241 PolarHBondContact O-N 3.05Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.41Å; A241-I243 PolarHBondContact O-N 3.05Å; A241-I243 VanDerWaalsContact O-N 3.15Å; A241-V244 PolarHBondContact O-N 3.05Å; A241-E245 WeakPolarHBondContact O-CB 3.37Å; A241-E245 PolarHBondContact O-N 2.85Å; A241-L273 HydrophobicContact CB-CD2 3.83Å; A241-V276 HydrophobicContact CB-CG1 4.12Å; A241-F277 HydrophobicContact CB-CE2 4.05Å; A241-F277 HydrophobicContact CB-CZ 4.07Å
242K97.3Very high97.4Very high130 Ų13054 Ų5457%0.56528%0.284SS*.Hα-helixtrans-56.2-31.8176.4-68.7170.8-163.9163.80113Q238 E239 A240Q238-K242 WeakPolarHBondContact O-CG 3.23Å; Q238-K242 PolarHBondContact O-N 3.35Å; Q238-K242 VanDerWaalsContact O-N 3.11Å; E239-K242 PolarHBondContact O-N 3.14Å; E239-K242 IonicContact OE2-NZ 2.8Å; E239-K242 PolarHBondContact OE2-NZ 3.43Å; A240-K242 PolarHBondContact O-N 2.94Å
243I97.3Very high97.6Very high7 Ų754.6 Ų54.64%0.03629%0.287CS..Hα-helixtrans-80.1-38-176.5-68.6164.8000111.5A240 A241 K247 A330 A333 L334 V348A240-I243 PolarHBondContact O-N 2.88Å; A241-I243 PolarHBondContact O-N 3.05Å; A241-I243 VanDerWaalsContact O-N 3.15Å; I243-K247 VanDerWaalsContact O-CD 3.32Å; I243-K247 WeakPolarHBondContact O-CD 3.5Å; I243-K247 VanDerWaalsContact O-CE 3.26Å; I243-K247 WeakPolarHBondContact O-CE 3.46Å; I243-K247 PolarHBondContact O-NZ 2.86Å; I243-A330 VanDerWaalsContact CD1-CA 3.44Å; I243-A330 HydrophobicContact CD1-CB 3.55Å; I243-A333 HydrophobicContact CB-CB 4.08Å; I243-A333 HydrophobicContact CD1-CB 4.2Å; I243-A333 HydrophobicContact CG2-CB 3.89Å; I243-L334 HydrophobicContact CG2-CD2 3.6Å; I243-L334 HydrophobicContact CG2-CG 3.85Å; I243-V348 HydrophobicContact CD1-CG1 3.87Å; I243-V348 HydrophobicContact CG1-CG1 4.28Å
244V97.9Very high97.7Very high1 Ų157.3 Ų57.31%0.00630%0.304CS..Hα-helixtrans-93.2-15.1-174.3-530000113.2A240 A241 G246 K247 V276 F277 A280 F282 A333 I337A240-V244 PolarHBondContact O-N 3.25Å; A241-V244 PolarHBondContact O-N 3.05Å; V244-G246 PolarHBondContact O-N 3.23Å; V244-K247 WeakPolarHBondContact O-CB 3.29Å; V244-K247 PolarHBondContact O-N 3.38Å; V244-V276 HydrophobicContact CG2-CG1 3.97Å; V244-F277 HydrophobicContact CG2-CD1 3.98Å; V244-F277 HydrophobicContact CG2-CE1 4Å; V244-A280 HydrophobicContact CB-CB 3.96Å; V244-A280 HydrophobicContact CG2-CB 4.07Å; V244-F282 HydrophobicContact CB-CE2 4.31Å; V244-F282 HydrophobicContact CG1-CE2 3.8Å; V244-F282 HydrophobicContact CG1-CZ 4.12Å; V244-A333 HydrophobicContact CG1-CB 3.93Å; V244-I337 HydrophobicContact CB-CD1 4.25Å; V244-I337 HydrophobicContact CG1-CD1 4.12Å; V244-I337 HydrophobicContact CG1-CG1 4.27Å
245E97.6Very high97.8Very high130 Ų13055.4 Ų55.461%0.60729%0.294SS*.THydrogen-bonded Turntrans-53.2126.5177.3-172.7172.1-141.100111.5A241 K247 V276A241-E245 WeakPolarHBondContact O-CB 3.37Å; A241-E245 PolarHBondContact O-N 2.85Å; E245-K247 PolarHBondContact O-N 3.23Å; E245-V276 HydrophobicContact CB-CG1 3.88Å; E245-V276 HydrophobicContact CG-CG1 4.34Å
246G97.5Very high97.8Very high71 Ų7153.6 Ų53.673%0.73228%0.282SS*.THydrogen-bonded Turntrans71.83.5-177.500000115.6V244V244-G246 PolarHBondContact O-N 3.23Å
247K97.9Very high97.8Very high73 Ų7352.9 Ų52.932%0.31728%0.278SS..  trans-109.5175.2177.4-55.1-174.7-169.2164.50111I243 V244 E245 A280 I337I243-K247 VanDerWaalsContact O-CD 3.32Å; I243-K247 WeakPolarHBondContact O-CD 3.5Å; I243-K247 VanDerWaalsContact O-CE 3.26Å; I243-K247 WeakPolarHBondContact O-CE 3.46Å; I243-K247 PolarHBondContact O-NZ 2.86Å; V244-K247 WeakPolarHBondContact O-CB 3.29Å; V244-K247 PolarHBondContact O-N 3.38Å; E245-K247 PolarHBondContact O-N 3.23Å; K247-A280 WeakPolarHBondContact O-CA 3.34Å; K247-I337 HydrophobicContact CB-CD1 3.76Å; K247-I337 HydrophobicContact CB-CG1 4.34Å; K247-I337 HydrophobicContact CB-CG2 4.35Å; K247-I337 HydrophobicContact CD-CG1 4.28Å; K247-I337 HydrophobicContact CD-CG2 4.02Å
248K98.6Very high97.7Very high125 Ų12552.9 Ų52.954%0.54328%0.278SS..  trans-126142.9174.7-63.1-60.4-174.5-1590110.5E279 A280 I337K248-E279 WeakPolarHBondContact CD-O 3.47Å; K248-E279 PolarHBondContact NZ-O 3.18Å; K248-A280 CarbonylContact C-O 3.42Å; K248-A280 WeakPolarHBondContact CA-O 3.48Å; K248-I337 VanDerWaalsContact O-CD1 3.31Å; K248-I337 WeakPolarHBondContact O-CD1 3.09Å
249V98.7Very high97.7Very high18 Ų1849.3 Ų49.311%0.10926%0.261CS..  trans-56.7137.2168.5172.30000108.5V253 A255 A280 F282 A336V249-V253 HydrophobicContact CG1-CB 3.89Å; V249-V253 HydrophobicContact CG1-CG1 4.03Å; V249-V253 VanDerWaalsContact CG1-O 3.3Å; V249-V253 WeakPolarHBondContact CG1-O 3.31Å; V249-A255 HydrophobicContact CG1-CB 3.88Å; V249-A255 HydrophobicContact CG2-CB 3.78Å; V249-A280 WeakPolarHBondContact CG2-O 3.09Å; V249-A280 PolarHBondContact N-O 3.12Å; V249-F282 HydrophobicContact CG2-CD2 3.44Å; V249-F282 VanDerWaalsContact CG2-CD2 3.44Å; V249-F282 HydrophobicContact CG2-CE2 3.46Å; V249-F282 VanDerWaalsContact CG2-CE2 3.46Å; V249-F282 HydrophobicContact CG2-CG 4.24Å; V249-F282 HydrophobicContact CG2-CZ 4.29Å; V249-A336 WeakPolarHBondContact CA-O 3.46Å; V249-A336 HydrophobicContact CG2-CB 4.39Å
250H98.5Very high97.5Very high72 Ų7248.3 Ų48.333%0.33326%0.261SS..  trans-58.5138.5178.7-175.5-87000110.9N252 V253 A336H250-N252 PolarHBondContact ND1-N 3.28Å; H250-N252 PolarHBondContact O-N 3.02Å; H250-V253 HydrophobicContact CB-CB 4.3Å; H250-V253 HydrophobicContact CB-CG2 3.89Å; H250-V253 PolarHBondContact O-N 3.02Å; H250-A336 PolarHBondContact N-O 2.92Å
251D97.7Very high97.4Very high163 Ų16348.7 Ų48.787%0.87226%0.264SS*.THydrogen-bonded Turntrans-54.8-28.3-171.6-68.3-20.5000114.6
252N96.4Very high97.3Very high129 Ų12957 Ų5769%0.6929%0.294SS*.THydrogen-bonded Turntrans-94.34.4179.3-62.9-33.3000114.4H250H250-N252 PolarHBondContact ND1-N 3.28Å; H250-N252 PolarHBondContact O-N 3.02Å
253V98.6Very high97.1Very high12 Ų1254.5 Ų54.57%0.07329%0.291CS..  trans-108.8129.3-178.31770000110I221 V224 V249 H250 A255I221-V253 HydrophobicContact CG2-CG2 4.48Å; I221-V253 WeakPolarHBondContact O-CG2 3.3Å; V224-V253 HydrophobicContact CB-CG1 4.41Å; V224-V253 HydrophobicContact CG2-CG1 3.8Å; V249-V253 HydrophobicContact CG1-CB 3.89Å; V249-V253 HydrophobicContact CG1-CG1 4.03Å; V249-V253 VanDerWaalsContact CG1-O 3.3Å; V249-V253 WeakPolarHBondContact CG1-O 3.31Å; H250-V253 HydrophobicContact CB-CB 4.3Å; H250-V253 HydrophobicContact CB-CG2 3.89Å; H250-V253 PolarHBondContact O-N 3.02Å; V253-A255 HydrophobicContact CG1-CB 4.29Å
254T98.2Very high97.1Very high58 Ų5854.7 Ų54.736%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-93.7117.7161.8-56.80000109.1G222 Y223 V224 I256G222-T254 PolarHBondContact O-N 3.09Å; Y223-T254 CarbonylContact C-O 3.52Å; Y223-T254 VanDerWaalsContact CA-O 3.29Å; Y223-T254 WeakPolarHBondContact CA-O 3.37Å; Y223-T254 HydrophobicContact CD2-CG2 4.28Å; Y223-T254 HydrophobicContact CE1-CG2 4.25Å; Y223-T254 HydrophobicContact CE2-CG2 3.52Å; Y223-T254 VanDerWaalsContact CZ-CG2 3.49Å; Y223-T254 WeakPolarHBondContact OH-CG2 3.34Å; V224-T254 PolarHBondContact N-O 3.41Å; T254-I256 HydrophobicContact CG2-CG2 4.45Å
255A98.3Very high97Very high3 Ų356.4 Ų56.43%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-114.5129.2-175.600000110.8V224 V249 V253 F282 E283 A336V224-A255 HydrophobicContact CB-CB 4.12Å; V249-A255 HydrophobicContact CG1-CB 3.88Å; V249-A255 HydrophobicContact CG2-CB 3.78Å; V253-A255 HydrophobicContact CG1-CB 4.29Å; A255-F282 HydrophobicContact CB-CD1 3.36Å; A255-F282 HydrophobicContact CB-CD2 4.18Å; A255-F282 HydrophobicContact CB-CE1 3.44Å; A255-F282 VanDerWaalsContact CB-CE1 3.44Å; A255-F282 HydrophobicContact CB-CE2 4.2Å; A255-F282 HydrophobicContact CB-CG 3.79Å; A255-F282 HydrophobicContact CB-CZ 3.87Å; A255-F282 CarbonylContact O-C 3.47Å; A255-F282 VanDerWaalsContact O-CA 3.31Å; A255-F282 WeakPolarHBondContact O-CA 3.44Å; A255-E283 PolarHBondContact O-N 2.77Å; A255-A336 HydrophobicContact CB-CB 4.09Å
256I97.1Very high97Very high0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-124.4139.3-17980.6177.3000110Y223 V224 F225 I226 T254 E283 M291Y223-I256 HydrophobicContact CE1-CD1 4.48Å; Y223-I256 HydrophobicContact CE1-CG2 4.08Å; V224-I256 PolarHBondContact O-N 2.86Å; F225-I256 HydrophobicContact CD2-CD1 3.71Å; F225-I256 HydrophobicContact CD2-CG1 3.66Å; F225-I256 HydrophobicContact CE2-CD1 4.21Å; F225-I256 HydrophobicContact CE2-CG1 4.41Å; I226-I256 PolarHBondContact N-O 2.97Å; T254-I256 HydrophobicContact CG2-CG2 4.45Å; I256-E283 HydrophobicContact CB-CB 4.41Å; I256-E283 HydrophobicContact CG2-CB 4.2Å; I256-M291 HydrophobicContact CD1-CB 4.11Å; I256-M291 HydrophobicContact CD1-CE 3.45Å; I256-M291 VanDerWaalsContact CD1-CE 3.45Å; I256-M291 HydrophobicContact CD1-SD 3.88Å; I256-M291 HydrophobicContact CG1-CE 3.98Å
257V97.5Very high97Very high0 Ų055.5 Ų55.50%028%0.28CS..EExtended strand (participates in β ladder)trans-119.5128.2171.9-179.20000109.8I226 L237 F277 F282 E283 W284 R285I226-V257 HydrophobicContact CB-CG1 4.48Å; I226-V257 HydrophobicContact CB-CG2 4.04Å; I226-V257 HydrophobicContact CD1-CG2 4.48Å; I226-V257 HydrophobicContact CG2-CG1 4.49Å; I226-V257 CarbonylContact O-C 3.59Å; I226-V257 VanDerWaalsContact O-CA 3.3Å; I226-V257 WeakPolarHBondContact O-CA 3.49Å; L237-V257 HydrophobicContact CD2-CG1 3.43Å; L237-V257 VanDerWaalsContact CD2-CG1 3.43Å; V257-F277 HydrophobicContact CB-CD1 4.46Å; V257-F277 HydrophobicContact CB-CG 4.48Å; V257-F277 HydrophobicContact CG1-CD2 4.39Å; V257-F277 HydrophobicContact CG1-CE2 4.31Å; V257-F277 HydrophobicContact CG1-CZ 4.42Å; V257-F277 HydrophobicContact CG2-CD1 3.48Å; V257-F277 VanDerWaalsContact CG2-CD1 3.48Å; V257-F277 HydrophobicContact CG2-CD2 4.49Å; V257-F277 HydrophobicContact CG2-CE1 3.68Å; V257-F277 HydrophobicContact CG2-CG 3.94Å; V257-F277 HydrophobicContact CG2-CZ 4.28Å; V257-F282 HydrophobicContact CB-CD1 4.47Å; V257-F282 HydrophobicContact CG2-CB 4.08Å; V257-F282 HydrophobicContact CG2-CD1 3.22Å; V257-F282 HydrophobicContact CG2-CE1 3.74Å; V257-F282 HydrophobicContact CG2-CG 3.86Å; V257-E283 PolarHBondContact N-O 3.05Å; V257-W284 HydrophobicContact CB-CE3 4.07Å; V257-W284 HydrophobicContact CB-CZ3 4.28Å; V257-W284 HydrophobicContact CG1-CE3 3.89Å; V257-W284 HydrophobicContact CG1-CZ3 3.59Å; V257-R285 PolarHBondContact O-N 2.84Å
258V96.4Very high97Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-125.7105.4-179.9177.90000108.9F225 I226 G227 R285 S290F225-V258 HydrophobicContact CE2-CB 3.96Å; F225-V258 HydrophobicContact CE2-CG2 3.78Å; I226-V258 PolarHBondContact O-N 2.95Å; G227-V258 WeakPolarHBondContact CA-O 3.28Å; V258-R285 HydrophobicContact CG2-CB 3.78Å; V258-S290 WeakPolarHBondContact CG2-OG 3.06Å
259P96.3Very high97Very high0 Ų049.2 Ų49.20%025%0.253CS..  trans-55.7142.6169.6-25.636.1000111.2L237 S261 V264 R265 W284 R285 P287L237-P259 HydrophobicContact CD1-CB 4.16Å; L237-P259 HydrophobicContact CD1-CG 4.23Å; P259-S261 PolarHBondContact O-N 3.24Å; P259-V264 HydrophobicContact CB-CG1 4.32Å; P259-R265 HydrophobicContact CB-CB 3.73Å; P259-R265 HydrophobicContact CG-CB 3.85Å; P259-R265 HydrophobicContact CG-CG 4.1Å; P259-W284 HydrophobicContact CG-CH2 3.51Å; P259-W284 HydrophobicContact CG-CZ2 3.47Å; P259-W284 VanDerWaalsContact CG-CZ2 3.47Å; P259-W284 HydrophobicContact CG-CZ3 4.07Å; P259-R285 WeakPolarHBondContact CD-O 3.33Å; P259-P287 VanDerWaalsContact O-CA 3.24Å; P259-P287 WeakPolarHBondContact O-CA 3.37Å; P259-P287 WeakPolarHBondContact O-CB 3.41Å
260G94.5Very high97Very high17 Ų1757.2 Ų57.218%0.17529%0.287CS..SBendtrans-72.1-14-174.700000114.3G232G232-G260 WeakPolarHBondContact O-CA 3.36Å; G232-G260 PolarHBondContact O-N 2.95Å
261S95.2Very high97Very high8 Ų858.3 Ų58.36%0.05629%0.294CS..SBendtrans-160.2167.5177.279.60000112.2E5 P259 P263 V264 R265 P287E5-S261 WeakPolarHBondContact OE1-CB 3.45Å; E5-S261 PolarHBondContact OE1-OG 3.27Å; E5-S261 WeakPolarHBondContact OE2-CB 3.39Å; E5-S261 PolarHBondContact OE2-OG 2.98Å; P259-S261 PolarHBondContact O-N 3.24Å; S261-P263 WeakPolarHBondContact OG-CD 3.39Å; S261-V264 PolarHBondContact O-N 3.28Å; S261-V264 WeakPolarHBondContact OG-CG2 3.24Å; S261-V264 PolarHBondContact OG-N 3.22Å; S261-V264 VanDerWaalsContact OG-N 3.15Å; S261-R265 WeakPolarHBondContact O-CB 3.41Å; S261-R265 PolarHBondContact O-N 2.84Å; S261-P287 VanDerWaalsContact C-CB 3.47Å
262R95.2Very high97Very high180 Ų18051.4 Ų51.468%0.67926%0.261SS*.Hα-helixtrans-63.8-44.3173.5-72.3-177.7175.7-167.3-2112.8R265 K266 P287R262-R265 PolarHBondContact O-N 3.06Å; R262-K266 WeakPolarHBondContact O-CG 3.17Å; R262-K266 PolarHBondContact O-N 3.47Å; R262-P287 HydrophobicContact CB-CG 4.36Å; R262-P287 HydrophobicContact CG-CG 3.57Å
263P94.8Very high97.1Very high77 Ų7746.1 Ų46.150%0.523%0.233SC..Hα-helixtrans-55.8-46.1172.1-29.235.7000113.8S261 R265 K266 A267S261-P263 WeakPolarHBondContact OG-CD 3.39Å; P263-R265 PolarHBondContact O-N 3Å; P263-K266 PolarHBondContact O-N 2.92Å; P263-A267 PolarHBondContact O-N 3.33Å
264V95.9Very high97.1Very high11 Ų1146.8 Ų46.87%0.06724%0.236CC..Hα-helixtrans-61.9-45.5177.8172.50000110.8L234 L237 P259 S261 K266 A267 A268L234-V264 HydrophobicContact CB-CG1 4.4Å; L237-V264 HydrophobicContact CD1-CG1 3.83Å; P259-V264 HydrophobicContact CB-CG1 4.32Å; S261-V264 PolarHBondContact O-N 3.28Å; S261-V264 WeakPolarHBondContact OG-CG2 3.24Å; S261-V264 PolarHBondContact OG-N 3.22Å; S261-V264 VanDerWaalsContact OG-N 3.15Å; V264-K266 PolarHBondContact O-N 3.18Å; V264-A267 PolarHBondContact O-N 3.13Å; V264-A268 WeakPolarHBondContact O-CB 3.37Å; V264-A268 PolarHBondContact O-N 3Å
265R97.2Very high97.1Very high37 Ų3750.7 Ų50.714%0.1425%0.248CC..Hα-helixtrans-55.5-50.3175.5178.6164172165-21.8112.1P259 S261 R262 P263 A267 A268 E269 W284 R285 E286P259-R265 HydrophobicContact CB-CB 3.73Å; P259-R265 HydrophobicContact CG-CB 3.85Å; P259-R265 HydrophobicContact CG-CG 4.1Å; S261-R265 WeakPolarHBondContact O-CB 3.41Å; S261-R265 PolarHBondContact O-N 2.84Å; R262-R265 PolarHBondContact O-N 3.06Å; P263-R265 PolarHBondContact O-N 3Å; R265-A267 VanDerWaalsContact C-N 3.3Å; R265-A267 PolarHBondContact O-N 3.25Å; R265-A268 PolarHBondContact O-N 3.14Å; R265-E269 HydrophobicContact CG-CG 4.28Å; R265-E269 VanDerWaalsContact CG-OE1 3.31Å; R265-E269 WeakPolarHBondContact CG-OE1 3.28Å; R265-E269 IonicContact CZ-OE1 2.76Å; R265-E269 IonicContact NE-OE1 3.77Å; R265-E269 PolarHBondContact NE-OE1 3.32Å; R265-E269 IonicContact NH2-OE1 2.66Å; R265-E269 WeakPolarHBondContact O-CB 3.27Å; R265-E269 WeakPolarHBondContact O-CG 3.18Å; R265-E269 PolarHBondContact O-N 2.79Å; R265-W284 HydrophobicContact CG-CZ2 4.07Å; R265-R285 PolarHBondContact NH1-O 3.13Å; R265-E286 IonicContact CZ-OE1 3.13Å; R265-E286 IonicContact CZ-OE2 2.97Å; R265-E286 VanDerWaalsContact NH1-CA 3.27Å; R265-E286 IonicContact NH1-OE1 2.87Å; R265-E286 PolarHBondContact NH1-OE1 3.45Å; R265-E286 IonicContact NH1-OE2 3.36Å; R265-E286 IonicContact NH2-OE1 3.39Å; R265-E286 PolarHBondContact NH2-OE1 3.42Å
266K97.3Very high97.1Very high146 Ų14651.7 Ų51.764%0.63525%0.254SS*.Hα-helixtrans-59.9-40.1178.2-72.6178.5178.8-1760112.2R262 P263 V264 K270R262-K266 WeakPolarHBondContact O-CG 3.17Å; R262-K266 PolarHBondContact O-N 3.47Å; P263-K266 PolarHBondContact O-N 2.92Å; V264-K266 PolarHBondContact O-N 3.18Å; K266-K270 VanDerWaalsContact O-CB 3.3Å; K266-K270 WeakPolarHBondContact O-CB 3.46Å; K266-K270 PolarHBondContact O-N 3.24Å
267A96.8Very high97.2Very high37 Ų3751.7 Ų51.731%0.30625%0.254SS..Hα-helixtrans-66.2-42.6177.200000111.8L234 P263 V264 R265 K270 I271L234-A267 HydrophobicContact CD1-CB 4.29Å; L234-A267 HydrophobicContact CD2-CB 4.09Å; P263-A267 PolarHBondContact O-N 3.33Å; V264-A267 PolarHBondContact O-N 3.13Å; R265-A267 VanDerWaalsContact C-N 3.3Å; R265-A267 PolarHBondContact O-N 3.25Å; A267-K270 PolarHBondContact O-N 2.85Å; A267-I271 PolarHBondContact O-N 3Å
268A98Very high97.2Very high0 Ų056.2 Ų56.20%028%0.277CS..Hα-helixtrans-63.9-45.2176.200000112.2L234 L237 V264 R265 K270 I271 G272 L273 W284L234-A268 HydrophobicContact CD1-CB 4.06Å; L237-A268 HydrophobicContact CD1-CB 4.15Å; V264-A268 WeakPolarHBondContact O-CB 3.37Å; V264-A268 PolarHBondContact O-N 3Å; R265-A268 PolarHBondContact O-N 3.14Å; A268-K270 PolarHBondContact O-N 3.43Å; A268-I271 WeakPolarHBondContact O-CG1 3.47Å; A268-I271 PolarHBondContact O-N 2.8Å; A268-G272 PolarHBondContact O-N 2.79Å; A268-G272 VanDerWaalsContact O-N 3.09Å; A268-L273 HydrophobicContact CB-CB 4.15Å; A268-L273 HydrophobicContact CB-CD1 3.98Å; A268-L273 HydrophobicContact CB-CG 4.3Å; A268-L273 PolarHBondContact O-N 3.01Å; A268-W284 HydrophobicContact CB-CH2 3.81Å; A268-W284 HydrophobicContact CB-CZ2 4.05Å
269E98.5Very high97.3Very high66 Ų6662 Ų6231%0.30830%0.304SS..Hα-helixtrans-63.4-39.3176-72.2169.1171.600112R265 I271 G272 D274 W284R265-E269 HydrophobicContact CG-CG 4.28Å; R265-E269 VanDerWaalsContact CG-OE1 3.31Å; R265-E269 WeakPolarHBondContact CG-OE1 3.28Å; R265-E269 IonicContact CZ-OE1 2.76Å; R265-E269 IonicContact NE-OE1 3.77Å; R265-E269 PolarHBondContact NE-OE1 3.32Å; R265-E269 IonicContact NH2-OE1 2.66Å; R265-E269 WeakPolarHBondContact O-CB 3.27Å; R265-E269 WeakPolarHBondContact O-CG 3.18Å; R265-E269 PolarHBondContact O-N 2.79Å; E269-I271 VanDerWaalsContact C-N 3.25Å; E269-I271 PolarHBondContact O-N 2.78Å; E269-G272 PolarHBondContact O-N 3.26Å; E269-G272 VanDerWaalsContact O-N 3.09Å; E269-D274 WeakPolarHBondContact CA-OD1 3.47Å; E269-D274 HydrophobicContact CG-CB 3.86Å; E269-W284 HydrophobicContact CG-CZ2 4.27Å; E269-W284 PolarHBondContact OE1-NE1 3.29Å; E269-W284 VanDerWaalsContact OE1-NE1 3.17Å
270K98.3Very high97.4Very high186 Ų18662.1 Ų62.181%0.80931%0.305SS*.Hα-helixtrans-60.4-34.5178.1-177.9-180177-174.90112.6K266 A267 A268K266-K270 VanDerWaalsContact O-CB 3.3Å; K266-K270 WeakPolarHBondContact O-CB 3.46Å; K266-K270 PolarHBondContact O-N 3.24Å; A267-K270 PolarHBondContact O-N 2.85Å; A268-K270 PolarHBondContact O-N 3.43Å
271I98Very high97.6Very high95 Ų9563.5 Ų63.549%0.48732%0.32SS..THydrogen-bonded Turntrans-97.54.5178.170.7-179.9000112.9L234 Q238 A267 A268 E269 L273L234-I271 HydrophobicContact CD1-CD1 4.28Å; Q238-I271 HydrophobicContact CG-CD1 4.23Å; A267-I271 PolarHBondContact O-N 3Å; A268-I271 WeakPolarHBondContact O-CG1 3.47Å; A268-I271 PolarHBondContact O-N 2.8Å; E269-I271 VanDerWaalsContact C-N 3.25Å; E269-I271 PolarHBondContact O-N 2.78Å; I271-L273 HydrophobicContact CD1-CD1 4.04Å; I271-L273 HydrophobicContact CD1-CD2 4.08Å; I271-L273 HydrophobicContact CD1-CG 3.89Å; I271-L273 HydrophobicContact CG1-CD1 4.36Å; I271-L273 HydrophobicContact CG1-CD2 4.07Å; I271-L273 HydrophobicContact CG1-CG 3.73Å
272G98.3Very high97.8Very high18 Ų1863.5 Ų63.519%0.18632%0.319CS..THydrogen-bonded Turntrans82.515.8172.700000116.3A268 E269 D274 K275 V276A268-G272 PolarHBondContact O-N 2.79Å; A268-G272 VanDerWaalsContact O-N 3.09Å; E269-G272 PolarHBondContact O-N 3.26Å; E269-G272 VanDerWaalsContact O-N 3.09Å; G272-D274 VanDerWaalsContact C-N 3.29Å; G272-D274 PolarHBondContact O-N 2.8Å; G272-K275 PolarHBondContact O-N 3.43Å; G272-V276 PolarHBondContact O-N 3.14Å
273L98.5Very high97.9Very high17 Ų1759 Ų599%0.08931%0.305CS..Hα-helixtrans-65.2-35.2178.7-55.9-171.7000112.2L234 L237 Q238 A241 A268 I271 K275 V276 F277L234-L273 HydrophobicContact CD1-CD1 4.2Å; L237-L273 HydrophobicContact CB-CD1 3.9Å; Q238-L273 HydrophobicContact CB-CD1 4.47Å; Q238-L273 HydrophobicContact CG-CD1 3.75Å; A241-L273 HydrophobicContact CB-CD2 3.83Å; A268-L273 HydrophobicContact CB-CB 4.15Å; A268-L273 HydrophobicContact CB-CD1 3.98Å; A268-L273 HydrophobicContact CB-CG 4.3Å; A268-L273 PolarHBondContact O-N 3.01Å; I271-L273 HydrophobicContact CD1-CD1 4.04Å; I271-L273 HydrophobicContact CD1-CD2 4.08Å; I271-L273 HydrophobicContact CD1-CG 3.89Å; I271-L273 HydrophobicContact CG1-CD1 4.36Å; I271-L273 HydrophobicContact CG1-CD2 4.07Å; I271-L273 HydrophobicContact CG1-CG 3.73Å; L273-K275 PolarHBondContact O-N 3.11Å; L273-V276 PolarHBondContact O-N 3.24Å; L273-F277 HydrophobicContact CB-CD2 4.43Å; L273-F277 HydrophobicContact CB-CE2 4.33Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.39Å
274D98.4Very high98Very high26 Ų2656.9 Ų56.914%0.13929%0.287CS..Hα-helixtrans-54.5-43.6175.464.5-46000111.3E269 G272 F277 I278 W284E269-D274 WeakPolarHBondContact CA-OD1 3.47Å; E269-D274 HydrophobicContact CG-CB 3.86Å; G272-D274 VanDerWaalsContact C-N 3.29Å; G272-D274 PolarHBondContact O-N 2.8Å; D274-F277 PolarHBondContact O-N 3.14Å; D274-I278 WeakPolarHBondContact O-CB 3.29Å; D274-I278 WeakPolarHBondContact O-CD1 3.42Å; D274-I278 WeakPolarHBondContact O-CG1 3.28Å; D274-I278 PolarHBondContact O-N 3.39Å; D274-W284 HydrophobicContact CB-CD2 3.95Å; D274-W284 HydrophobicContact CB-CG 4.19Å; D274-W284 HydrophobicContact CB-CZ2 3.99Å
275K98.6Very high98Very high141 Ų14158.2 Ų58.261%0.61329%0.291SS*.Hα-helixtrans-65.7-42.8178.4-61.5175.6-174.6173.50111.7G272 L273 F277 I278 E279G272-K275 PolarHBondContact O-N 3.43Å; L273-K275 PolarHBondContact O-N 3.11Å; K275-F277 PolarHBondContact O-N 3.28Å; K275-I278 PolarHBondContact O-N 3.32Å; K275-E279 WeakPolarHBondContact O-CB 3.4Å; K275-E279 PolarHBondContact O-N 3.46Å
276V98.7Very high97.8Very high24 Ų2461.9 Ų61.915%0.14531%0.31CS..Hα-helixtrans-59.3-46.9176.8172.70000110.7A241 V244 E245 G272 L273 A280A241-V276 HydrophobicContact CB-CG1 4.12Å; V244-V276 HydrophobicContact CG2-CG1 3.97Å; E245-V276 HydrophobicContact CB-CG1 3.88Å; E245-V276 HydrophobicContact CG-CG1 4.34Å; G272-V276 PolarHBondContact O-N 3.14Å; L273-V276 PolarHBondContact O-N 3.24Å; V276-A280 WeakPolarHBondContact O-CB 3.3Å; V276-A280 PolarHBondContact O-N 2.89Å
277F98.7Very high97.5Very high0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-65.6-47.3177.6-76.7-64.1000112.6L237 A240 A241 V244 V257 L273 D274 K275 E279 A280 G281 F282 W284L237-F277 HydrophobicContact CB-CE2 4.42Å; L237-F277 HydrophobicContact CD2-CE2 4.43Å; L237-F277 WeakPolarHBondContact O-CZ 3.46Å; A240-F277 HydrophobicContact CB-CE1 4.03Å; A240-F277 HydrophobicContact CB-CZ 3.79Å; A241-F277 HydrophobicContact CB-CE2 4.05Å; A241-F277 HydrophobicContact CB-CZ 4.07Å; V244-F277 HydrophobicContact CG2-CD1 3.98Å; V244-F277 HydrophobicContact CG2-CE1 4Å; V257-F277 HydrophobicContact CB-CD1 4.46Å; V257-F277 HydrophobicContact CB-CG 4.48Å; V257-F277 HydrophobicContact CG1-CD2 4.39Å; V257-F277 HydrophobicContact CG1-CE2 4.31Å; V257-F277 HydrophobicContact CG1-CZ 4.42Å; V257-F277 HydrophobicContact CG2-CD1 3.48Å; V257-F277 VanDerWaalsContact CG2-CD1 3.48Å; V257-F277 HydrophobicContact CG2-CD2 4.49Å; V257-F277 HydrophobicContact CG2-CE1 3.68Å; V257-F277 HydrophobicContact CG2-CG 3.94Å; V257-F277 HydrophobicContact CG2-CZ 4.28Å; L273-F277 HydrophobicContact CB-CD2 4.43Å; L273-F277 HydrophobicContact CB-CE2 4.33Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.39Å; D274-F277 PolarHBondContact O-N 3.14Å; K275-F277 PolarHBondContact O-N 3.28Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.06Å; F277-A280 PolarHBondContact O-N 2.81Å; F277-G281 PolarHBondContact O-N 3.04Å; F277-G281 VanDerWaalsContact O-N 3.09Å; F277-F282 HydrophobicContact CB-CB 4.06Å; F277-F282 HydrophobicContact CD1-CB 4.38Å; F277-F282 HydrophobicContact CD1-CD1 4.37Å; F277-F282 HydrophobicContact CD1-CD2 4.07Å; F277-F282 HydrophobicContact CD1-CE2 4.4Å; F277-F282 HydrophobicContact CD1-CG 4.04Å; F277-F282 WeakPolarHBondContact O-CB 3.45Å; F277-F282 PolarHBondContact O-N 3.42Å; F277-W284 HydrophobicContact CB-CE3 4.33Å; F277-W284 HydrophobicContact CD2-CE3 4.02Å; F277-W284 AromaticContact CD2-CZ3 3.58Å; F277-W284 HydrophobicContact CD2-CZ3 3.58Å; F277-W284 HydrophobicContact CE2-CZ3 4.07Å; F277-W284 HydrophobicContact CG-CE3 4.45Å; F277-W284 HydrophobicContact CG-CZ3 4.4Å
278I98.6Very high97.1Very high95 Ų9556.2 Ų56.249%0.48729%0.291SS..Hα-helixtrans-61.3-43.7178.6-70.3164.9000110.5D274 K275 A280 G281 W284D274-I278 WeakPolarHBondContact O-CB 3.29Å; D274-I278 WeakPolarHBondContact O-CD1 3.42Å; D274-I278 WeakPolarHBondContact O-CG1 3.28Å; D274-I278 PolarHBondContact O-N 3.39Å; K275-I278 PolarHBondContact O-N 3.32Å; I278-A280 VanDerWaalsContact C-N 3.33Å; I278-A280 PolarHBondContact O-N 2.84Å; I278-G281 PolarHBondContact O-N 3.16Å; I278-W284 HydrophobicContact CD1-CB 4.13Å; I278-W284 HydrophobicContact CG1-CB 3.97Å
279E98.5Very high96.6Very high120 Ų12059.9 Ų59.956%0.56132%0.316SS*.Hα-helixtrans-61.9-42.7176.9-177.4174.817600111K248 K275 F277 G281K248-E279 WeakPolarHBondContact CD-O 3.47Å; K248-E279 PolarHBondContact NZ-O 3.18Å; K275-E279 WeakPolarHBondContact O-CB 3.4Å; K275-E279 PolarHBondContact O-N 3.46Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.06Å; E279-G281 PolarHBondContact O-N 2.91Å
280A98.6Very high96.3Very high3 Ų356.8 Ų56.83%0.02530%0.301CS..Hα-helixtrans-63.9-19.9174.900000113V244 K247 K248 V249 V276 F277 I278 F282V244-A280 HydrophobicContact CB-CB 3.96Å; V244-A280 HydrophobicContact CG2-CB 4.07Å; K247-A280 WeakPolarHBondContact O-CA 3.34Å; K248-A280 CarbonylContact C-O 3.42Å; K248-A280 WeakPolarHBondContact CA-O 3.48Å; V249-A280 WeakPolarHBondContact CG2-O 3.09Å; V249-A280 PolarHBondContact N-O 3.12Å; V276-A280 WeakPolarHBondContact O-CB 3.3Å; V276-A280 PolarHBondContact O-N 2.89Å; F277-A280 PolarHBondContact O-N 2.81Å; I278-A280 VanDerWaalsContact C-N 3.33Å; I278-A280 PolarHBondContact O-N 2.84Å; A280-F282 HydrophobicContact CB-CD2 4.09Å; A280-F282 HydrophobicContact CB-CE2 4.4Å
281G98.5Very high95.9Very high47 Ų4747.9 Ų47.949%0.48526%0.263SS..THydrogen-bonded Turntrans104.113.7179.600000114.2F277 I278 E279F277-G281 PolarHBondContact O-N 3.04Å; F277-G281 VanDerWaalsContact O-N 3.09Å; I278-G281 PolarHBondContact O-N 3.16Å; E279-G281 PolarHBondContact O-N 2.91Å
282F98.5Very high95.6Very high8 Ų843.6 Ų43.64%0.03524%0.241CC..  trans-78.2147.9171.7-75.8-108.2000111.5V224 I226 V244 V249 A255 V257 F277 A280 W284 A336V224-F282 HydrophobicContact CG1-CE1 4.31Å; I226-F282 HydrophobicContact CD1-CE1 3.83Å; I226-F282 HydrophobicContact CD1-CZ 4.14Å; I226-F282 HydrophobicContact CG1-CE1 4.4Å; V244-F282 HydrophobicContact CB-CE2 4.31Å; V244-F282 HydrophobicContact CG1-CE2 3.8Å; V244-F282 HydrophobicContact CG1-CZ 4.12Å; V249-F282 HydrophobicContact CG2-CD2 3.44Å; V249-F282 VanDerWaalsContact CG2-CD2 3.44Å; V249-F282 HydrophobicContact CG2-CE2 3.46Å; V249-F282 VanDerWaalsContact CG2-CE2 3.46Å; V249-F282 HydrophobicContact CG2-CG 4.24Å; V249-F282 HydrophobicContact CG2-CZ 4.29Å; A255-F282 HydrophobicContact CB-CD1 3.36Å; A255-F282 HydrophobicContact CB-CD2 4.18Å; A255-F282 HydrophobicContact CB-CE1 3.44Å; A255-F282 VanDerWaalsContact CB-CE1 3.44Å; A255-F282 HydrophobicContact CB-CE2 4.2Å; A255-F282 HydrophobicContact CB-CG 3.79Å; A255-F282 HydrophobicContact CB-CZ 3.87Å; A255-F282 CarbonylContact O-C 3.47Å; A255-F282 VanDerWaalsContact O-CA 3.31Å; A255-F282 WeakPolarHBondContact O-CA 3.44Å; V257-F282 HydrophobicContact CB-CD1 4.47Å; V257-F282 HydrophobicContact CG2-CB 4.08Å; V257-F282 HydrophobicContact CG2-CD1 3.22Å; V257-F282 HydrophobicContact CG2-CE1 3.74Å; V257-F282 HydrophobicContact CG2-CG 3.86Å; F277-F282 HydrophobicContact CB-CB 4.06Å; F277-F282 HydrophobicContact CD1-CB 4.38Å; F277-F282 HydrophobicContact CD1-CD1 4.37Å; F277-F282 HydrophobicContact CD1-CD2 4.07Å; F277-F282 HydrophobicContact CD1-CE2 4.4Å; F277-F282 HydrophobicContact CD1-CG 4.04Å; F277-F282 WeakPolarHBondContact O-CB 3.45Å; F277-F282 PolarHBondContact O-N 3.42Å; A280-F282 HydrophobicContact CB-CD2 4.09Å; A280-F282 HydrophobicContact CB-CE2 4.4Å; F282-W284 PolarHBondContact O-N 2.89Å; F282-A336 HydrophobicContact CE1-CB 4.08Å; F282-A336 HydrophobicContact CE2-CB 3.92Å; F282-A336 HydrophobicContact CZ-CB 3.32Å
283E97.4Very high95.2Very high84 Ų8445.7 Ų45.739%0.39325%0.248SC..EExtended strand (participates in β ladder)trans-78.3115.6164.1-62.7-177.1-138.600110.7A255 I256 V257 R285A255-E283 PolarHBondContact O-N 2.77Å; I256-E283 HydrophobicContact CB-CB 4.41Å; I256-E283 HydrophobicContact CG2-CB 4.2Å; V257-E283 PolarHBondContact N-O 3.05Å; E283-R285 HydrophobicContact CB-CG 4.2Å; E283-R285 VanDerWaalsContact CD-NH2 3.26Å; E283-R285 PolarHBondContact O-N 2.75Å; E283-R285 IonicContact OE1-NH2 2.85Å; E283-R285 PolarHBondContact OE1-NH2 2.85Å; E283-R285 IonicContact OE2-CZ 3.66Å; E283-R285 IonicContact OE2-NE 3.5Å; E283-R285 PolarHBondContact OE2-NE 3.36Å; E283-R285 IonicContact OE2-NH2 2.95Å; E283-R285 PolarHBondContact OE2-NH2 2.96Å
284W96.9Very high94.7Very high34 Ų3445.3 Ų45.313%0.12925%0.248CC..EExtended strand (participates in β ladder)trans-83.798173.1-174.1-109.6000110.9L237 V257 P259 R265 A268 E269 D274 F277 I278 F282L237-W284 HydrophobicContact CD1-CH2 4.1Å; V257-W284 HydrophobicContact CB-CE3 4.07Å; V257-W284 HydrophobicContact CB-CZ3 4.28Å; V257-W284 HydrophobicContact CG1-CE3 3.89Å; V257-W284 HydrophobicContact CG1-CZ3 3.59Å; P259-W284 HydrophobicContact CG-CH2 3.51Å; P259-W284 HydrophobicContact CG-CZ2 3.47Å; P259-W284 VanDerWaalsContact CG-CZ2 3.47Å; P259-W284 HydrophobicContact CG-CZ3 4.07Å; R265-W284 HydrophobicContact CG-CZ2 4.07Å; A268-W284 HydrophobicContact CB-CH2 3.81Å; A268-W284 HydrophobicContact CB-CZ2 4.05Å; E269-W284 HydrophobicContact CG-CZ2 4.27Å; E269-W284 PolarHBondContact OE1-NE1 3.29Å; E269-W284 VanDerWaalsContact OE1-NE1 3.17Å; D274-W284 HydrophobicContact CB-CD2 3.95Å; D274-W284 HydrophobicContact CB-CG 4.19Å; D274-W284 HydrophobicContact CB-CZ2 3.99Å; F277-W284 HydrophobicContact CB-CE3 4.33Å; F277-W284 HydrophobicContact CD2-CE3 4.02Å; F277-W284 AromaticContact CD2-CZ3 3.58Å; F277-W284 HydrophobicContact CD2-CZ3 3.58Å; F277-W284 HydrophobicContact CE2-CZ3 4.07Å; F277-W284 HydrophobicContact CG-CE3 4.45Å; F277-W284 HydrophobicContact CG-CZ3 4.4Å; I278-W284 HydrophobicContact CD1-CB 4.13Å; I278-W284 HydrophobicContact CG1-CB 3.97Å; F282-W284 PolarHBondContact O-N 2.89Å
285R95.2Very high94Very high39 Ų3948.2 Ų48.215%0.14726%0.262CS..PPolyproline II helixtrans-97163.9-170.6-71.1-169.6-179174.38.7113.2V257 V258 P259 R265 E283 D298V257-R285 PolarHBondContact O-N 2.84Å; V258-R285 HydrophobicContact CG2-CB 3.78Å; P259-R285 WeakPolarHBondContact CD-O 3.33Å; R265-R285 PolarHBondContact NH1-O 3.13Å; E283-R285 HydrophobicContact CB-CG 4.2Å; E283-R285 VanDerWaalsContact CD-NH2 3.26Å; E283-R285 PolarHBondContact O-N 2.75Å; E283-R285 IonicContact OE1-NH2 2.85Å; E283-R285 PolarHBondContact OE1-NH2 2.85Å; E283-R285 IonicContact OE2-CZ 3.66Å; E283-R285 IonicContact OE2-NE 3.5Å; E283-R285 PolarHBondContact OE2-NE 3.36Å; E283-R285 IonicContact OE2-NH2 2.95Å; E283-R285 PolarHBondContact OE2-NH2 2.96Å; R285-D298 IonicContact CZ-OD1 3.53Å; R285-D298 IonicContact NE-OD1 2.76Å; R285-D298 VanDerWaalsContact NH1-CG 3.26Å; R285-D298 IonicContact NH1-OD1 2.73Å; R285-D298 PolarHBondContact NH1-OD1 2.87Å
286E93.1Very high93.1Very high113 Ų11346.5 Ų46.553%0.52826%0.259SS..PPolyproline II helixtrans-69.4143.8176.6-71-63.4143.700111.7R265 G288R265-E286 IonicContact CZ-OE1 3.13Å; R265-E286 IonicContact CZ-OE2 2.97Å; R265-E286 VanDerWaalsContact NH1-CA 3.27Å; R265-E286 IonicContact NH1-OE1 2.87Å; R265-E286 PolarHBondContact NH1-OE1 3.45Å; R265-E286 IonicContact NH1-OE2 3.36Å; R265-E286 IonicContact NH2-OE1 3.39Å; R265-E286 PolarHBondContact NH2-OE1 3.42Å; E286-G288 PolarHBondContact O-N 3.2Å
287P92.1Very high92.4Very high30 Ų3050.8 Ų50.820%0.19529%0.288CS..SBendtrans-64.3136.6-179.827.9-34.8000111.1P259 S261 R262P259-P287 VanDerWaalsContact O-CA 3.24Å; P259-P287 WeakPolarHBondContact O-CA 3.37Å; P259-P287 WeakPolarHBondContact O-CB 3.41Å; S261-P287 VanDerWaalsContact C-CB 3.47Å; R262-P287 HydrophobicContact CB-CG 4.36Å; R262-P287 HydrophobicContact CG-CG 3.57Å
288G88.3Confident91.9Very high34 Ų3451.5 Ų51.535%0.35129%0.291SS..SBendtrans172.5176.4177.800000109.4E286 S290E286-G288 PolarHBondContact O-N 3.2Å; G288-S290 PolarHBondContact O-N 2.82Å
289C88.2Confident91.7Very high77 Ų7754.3 Ų54.352%0.5230%0.296SS..SBendtrans-65.7-27.2177-54.30000111.9M291 C292 L293C289-M291 PolarHBondContact O-N 3.39Å; C289-C292 WeakPolarHBondContact O-CB 3.38Å; C289-C292 PolarHBondContact O-N 3.24Å; C289-L293 HydrophobicContact CB-CD2 3.12Å; C289-L293 HydrophobicContact CB-CG 4.5Å
290S90.3Very high91.6Very high1 Ų148.7 Ų48.71%0.00727%0.27CS..G310 helixtrans50.6-133.8167-177.10000111.7V258 G288 C292 L293 G294 M295 D298V258-S290 WeakPolarHBondContact CG2-OG 3.06Å; G288-S290 PolarHBondContact O-N 2.82Å; S290-C292 PolarHBondContact O-N 3.26Å; S290-L293 PolarHBondContact O-N 3.28Å; S290-G294 PolarHBondContact O-N 3.06Å; S290-M295 PolarHBondContact O-N 3.22Å; S290-D298 WeakPolarHBondContact CA-OD2 3.49Å; S290-D298 VanDerWaalsContact CB-OD2 3.27Å; S290-D298 WeakPolarHBondContact CB-OD2 3.22Å; S290-D298 WeakPolarHBondContact OG-CB 3.45Å; S290-D298 PolarHBondContact OG-OD2 3.05Å
291M91.6Very high91.5Very high0 Ų051.8 Ų51.80%029%0.289CS..G310 helixtrans-68.4-12.1-179.2-159.2152.970.700113.3Y223 F225 I256 C289 L293 G294 D298 V300 Q318Y223-M291 HydrophobicContact CD1-CE 3.58Å; Y223-M291 HydrophobicContact CD1-SD 3.89Å; Y223-M291 HydrophobicContact CE1-CE 3.75Å; Y223-M291 HydrophobicContact CE1-SD 3.68Å; F225-M291 HydrophobicContact CB-CE 3.33Å; F225-M291 HydrophobicContact CD1-CB 4.41Å; F225-M291 HydrophobicContact CD2-CB 4.01Å; F225-M291 HydrophobicContact CD2-CE 3.87Å; F225-M291 HydrophobicContact CE1-CB 4.43Å; F225-M291 HydrophobicContact CE2-CB 4.03Å; F225-M291 HydrophobicContact CG-CB 4.2Å; F225-M291 HydrophobicContact CG-CE 3.69Å; F225-M291 HydrophobicContact CZ-CB 4.25Å; I256-M291 HydrophobicContact CD1-CB 4.11Å; I256-M291 HydrophobicContact CD1-CE 3.45Å; I256-M291 VanDerWaalsContact CD1-CE 3.45Å; I256-M291 HydrophobicContact CD1-SD 3.88Å; I256-M291 HydrophobicContact CG1-CE 3.98Å; C289-M291 PolarHBondContact O-N 3.39Å; M291-L293 PolarHBondContact O-N 3.03Å; M291-L293 VanDerWaalsContact O-N 3.09Å; M291-G294 PolarHBondContact O-N 3.3Å; M291-D298 WeakPolarHBondContact CA-O 3.46Å; M291-D298 HydrophobicContact CB-CB 4.12Å; M291-V300 HydrophobicContact CE-CG2 4.01Å; M291-V300 HydrophobicContact CG-CG2 4.08Å; M291-V300 HydrophobicContact SD-CG2 3.45Å; M291-V300 WeakPolarHBondContact SD-CG2 3.5Å; M291-Q318 HydrophobicContact CG-CB 3.94Å; M291-Q318 HydrophobicContact CG-CG 4.34Å; M291-Q318 WeakPolarHBondContact O-CG 3.32Å; M291-Q318 PolarHBondContact O-NE2 2.89Å
292C90.1Very high91.5Very high5 Ų552.7 Ų52.73%0.03429%0.293CS..G310 helixtrans-57.4-26.6175.2-168.90000112.8F225 S228 C289 S290 R317F225-C292 HydrophobicContact CE1-CB 3.99Å; F225-C292 HydrophobicContact CZ-CB 4.34Å; S228-C292 VanDerWaalsContact CB-SG 3.59Å; C289-C292 WeakPolarHBondContact O-CB 3.38Å; C289-C292 PolarHBondContact O-N 3.24Å; S290-C292 PolarHBondContact O-N 3.26Å; C292-R317 PolarHBondContact O-NE 3.38Å
293L90.7Very high91.4Very high62 Ų6253.7 Ų53.733%0.32531%0.305SS..G310 helixtrans-135.323.4169.772.4142.5000114.2C289 S290 M291 M295 R317C289-L293 HydrophobicContact CB-CD2 3.12Å; C289-L293 HydrophobicContact CB-CG 4.5Å; S290-L293 PolarHBondContact O-N 3.28Å; M291-L293 PolarHBondContact O-N 3.03Å; M291-L293 VanDerWaalsContact O-N 3.09Å; L293-M295 VanDerWaalsContact C-N 3.3Å; L293-M295 HydrophobicContact CD1-CG 3.65Å; L293-M295 HydrophobicContact CD1-SD 3.48Å; L293-M295 WeakPolarHBondContact CD1-SD 3.18Å; L293-M295 HydrophobicContact CD2-CG 4.23Å; L293-M295 HydrophobicContact CD2-SD 3.74Å; L293-M295 HydrophobicContact CG-CB 4.37Å; L293-M295 HydrophobicContact CG-CG 3.64Å; L293-M295 HydrophobicContact CG-SD 3.7Å; L293-M295 PolarHBondContact O-N 2.84Å; L293-R317 CarbonylContact C-O 3.59Å; L293-R317 WeakPolarHBondContact CA-O 3.41Å
294G87.7Confident91.5Very high8 Ų851.6 Ų51.68%0.08230%0.298CS..THydrogen-bonded Turntrans63.431.8177.300000114.4S290 M291 R299 R317S290-G294 PolarHBondContact O-N 3.06Å; M291-G294 PolarHBondContact O-N 3.3Å; G294-R299 PolarHBondContact O-NE 2.9Å; G294-R317 PolarHBondContact N-O 2.87Å
295M84.1Confident91.5Very high88 Ų8850.4 Ų50.443%0.43329%0.294SS..  trans-84.3160.5178.7-84.3179.89100112.1S290 L293 D298S290-M295 PolarHBondContact O-N 3.22Å; L293-M295 VanDerWaalsContact C-N 3.3Å; L293-M295 HydrophobicContact CD1-CG 3.65Å; L293-M295 HydrophobicContact CD1-SD 3.48Å; L293-M295 WeakPolarHBondContact CD1-SD 3.18Å; L293-M295 HydrophobicContact CD2-CG 4.23Å; L293-M295 HydrophobicContact CD2-SD 3.74Å; L293-M295 HydrophobicContact CG-CB 4.37Å; L293-M295 HydrophobicContact CG-CG 3.64Å; L293-M295 HydrophobicContact CG-SD 3.7Å; L293-M295 PolarHBondContact O-N 2.84Å; M295-D298 WeakPolarHBondContact O-CB 3.47Å; M295-D298 PolarHBondContact O-N 2.8Å
296N78.5Confident91.7Very high104 Ų10448.5 Ų48.556%0.55629%0.287SS*.THydrogen-bonded Turntrans58.7-156.5-178.8-44.7-38.4000110.2D298N296-D298 PolarHBondContact O-N 2.95Å
297P84.8Confident92Very high115 Ų11543.1 Ų43.175%0.74726%0.261SS*.THydrogen-bonded Turntrans-76.14.6171.933.6-31.9000112.6R299P297-R299 VanDerWaalsContact C-N 3.35Å; P297-R299 PolarHBondContact O-N 2.95Å
298D89.4Confident92.2Very high15 Ų1541.7 Ų41.78%0.0825%0.252CS..  trans-82.379-174.2-49.6-27.9000110.3R285 S290 M291 M295 N296R285-D298 IonicContact CZ-OD1 3.53Å; R285-D298 IonicContact NE-OD1 2.76Å; R285-D298 VanDerWaalsContact NH1-CG 3.26Å; R285-D298 IonicContact NH1-OD1 2.73Å; R285-D298 PolarHBondContact NH1-OD1 2.87Å; S290-D298 WeakPolarHBondContact CA-OD2 3.49Å; S290-D298 VanDerWaalsContact CB-OD2 3.27Å; S290-D298 WeakPolarHBondContact CB-OD2 3.22Å; S290-D298 WeakPolarHBondContact OG-CB 3.45Å; S290-D298 PolarHBondContact OG-OD2 3.05Å; M291-D298 WeakPolarHBondContact CA-O 3.46Å; M291-D298 HydrophobicContact CB-CB 4.12Å; M295-D298 WeakPolarHBondContact O-CB 3.47Å; M295-D298 PolarHBondContact O-N 2.8Å; N296-D298 PolarHBondContact O-N 2.95Å
299R94.3Very high92.7Very high153 Ų15340.1 Ų40.158%0.57724%0.235SC*.  trans-130.5136.9-179.7-64.3179.7179.9171.82.8111.5G294 P297 Q318G294-R299 PolarHBondContact O-NE 2.9Å; P297-R299 VanDerWaalsContact C-N 3.35Å; P297-R299 PolarHBondContact O-N 2.95Å; R299-Q318 CarbonylContact C-O 3.47Å; R299-Q318 VanDerWaalsContact CA-O 3.28Å; R299-Q318 WeakPolarHBondContact CA-O 3.44Å
300V96.2Very high93.1Very high3 Ų336.4 Ų36.42%0.01821%0.211CC..PPolyproline II helixtrans-71.3129.8168.2-178.90000108.1Y223 M291 V304 C306 Q318 A322Y223-V300 HydrophobicContact CD1-CG2 4.19Å; Y223-V300 HydrophobicContact CG-CG2 4.47Å; M291-V300 HydrophobicContact CE-CG2 4.01Å; M291-V300 HydrophobicContact CG-CG2 4.08Å; M291-V300 HydrophobicContact SD-CG2 3.45Å; M291-V300 WeakPolarHBondContact SD-CG2 3.5Å; V300-V304 HydrophobicContact CG1-CB 3.94Å; V300-V304 HydrophobicContact CG1-CG1 4.23Å; V300-C306 HydrophobicContact CB-CB 4.48Å; V300-C306 HydrophobicContact CG1-CB 4Å; V300-C306 HydrophobicContact CG2-CB 3.64Å; V300-Q318 HydrophobicContact CB-CB 4.47Å; V300-Q318 HydrophobicContact CG2-CB 3.85Å; V300-Q318 PolarHBondContact N-O 3.09Å; V300-A322 HydrophobicContact CB-CB 3.62Å; V300-A322 HydrophobicContact CG1-CB 3.85Å; V300-A322 HydrophobicContact CG2-CB 4.46Å
301P96.1Very high93.3Very high67 Ų6736.4 Ų36.444%0.43521%0.211SC..PPolyproline II helixtrans-62.5154.1176.3-21.532.5000112.6G303 V304P301-G303 PolarHBondContact O-N 3.22Å; P301-V304 HydrophobicContact CB-CG2 3.83Å; P301-V304 HydrophobicContact CG-CG2 4.27Å; P301-V304 WeakPolarHBondContact O-CB 3.49Å; P301-V304 PolarHBondContact O-N 2.75Å; P301-V304 VanDerWaalsContact O-N 3.15Å
302A97.3Very high93.5Very high67 Ų6738.4 Ų38.455%0.55422%0.218SC*.THydrogen-bonded Turntrans-56.1132.4179.500000111.8V304 K320 D321A302-V304 PolarHBondContact O-N 2.91Å; A302-K320 WeakPolarHBondContact CA-O 3.49Å; A302-D321 HydrophobicContact CB-CB 3.99Å
303G97.5Very high93.9Very high28 Ų2838.3 Ų38.329%0.28922%0.217SC..THydrogen-bonded Turntrans77-4.6179.400000115.4P301 D321 R323P301-G303 PolarHBondContact O-N 3.22Å; G303-D321 PolarHBondContact N-O 3.36Å; G303-R323 PolarHBondContact O-NH1 3.03Å
304V98.2Very high94.1Very high41 Ų4139.5 Ų39.525%0.24822%0.22CC..  trans-83.1136.8179-179.90000110.4V300 P301 A302 R323V300-V304 HydrophobicContact CG1-CB 3.94Å; V300-V304 HydrophobicContact CG1-CG1 4.23Å; P301-V304 HydrophobicContact CB-CG2 3.83Å; P301-V304 HydrophobicContact CG-CG2 4.27Å; P301-V304 WeakPolarHBondContact O-CB 3.49Å; P301-V304 PolarHBondContact O-N 2.75Å; P301-V304 VanDerWaalsContact O-N 3.15Å; A302-V304 PolarHBondContact O-N 2.91Å; V304-R323 PolarHBondContact O-N 3.36Å
305H98.6Very high94.5Very high8 Ų844.5 Ų44.54%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-83.5128173-65.8-105.6000110.9M208 I219 P220 I221 G222 Y223 R323 H325M208-H305 PolarHBondContact O-CE1 3.45Å; M208-H305 PolarHBondContact O-NE2 3.46Å; I219-H305 HydrophobicContact CG2-CB 3.99Å; P220-H305 WeakPolarHBondContact O-CB 3.48Å; I221-H305 HydrophobicContact CD1-CB 4.3Å; G222-H305 PolarHBondContact N-O 3.35Å; Y223-H305 PolarHBondContact N-O 3.46Å; H305-R323 CarbonylContact C-O 3.34Å; H305-R323 VanDerWaalsContact CA-O 3.3Å; H305-R323 WeakPolarHBondContact CA-O 3.44Å; H305-R323 WeakPolarHBondContact NE2-CD 3.48Å; H305-R323 PolarHBondContact NE2-NH1 3.03Å; H305-H325 AromaticContact CE1-NE2 3.91Å; H305-H325 AromaticContact CG-NE2 3.78Å; H305-H325 AromaticContact ND1-CD2 3.9Å; H305-H325 AromaticContact ND1-CE1 3.84Å; H305-H325 AromaticContact ND1-NE2 2.9Å; H305-H325 PolarHBondContact ND1-NE2 2.98Å
306C98.5Very high95Very high0 Ų042.1 Ų42.10%024%0.239CC..EExtended strand (participates in β ladder)trans-116.4121.6-178.9179.70000110.8Y223 V300 Q318 R323 H325Y223-C306 CarbonylContact O-C 3.5Å; Y223-C306 VanDerWaalsContact O-CA 3.23Å; Y223-C306 WeakPolarHBondContact O-CA 3.4Å; V300-C306 HydrophobicContact CB-CB 4.48Å; V300-C306 HydrophobicContact CG1-CB 4Å; V300-C306 HydrophobicContact CG2-CB 3.64Å; C306-Q318 PolarHBondContact SG-OE1 3.3Å; C306-R323 PolarHBondContact N-O 3.04Å; C306-H325 PolarHBondContact O-N 3.32Å
307A98.6Very high95.8Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-81.1120.3163.800000108.7I221 Y223 V224 F225 A335 F341I221-A307 HydrophobicContact CD1-CB 4.02Å; I221-A307 HydrophobicContact CG2-CB 4.32Å; Y223-A307 PolarHBondContact O-N 2.87Å; V224-A307 CarbonylContact C-O 3.02Å; V224-A307 WeakPolarHBondContact CA-O 3.32Å; V224-A307 HydrophobicContact CG2-CB 4.25Å; F225-A307 PolarHBondContact N-O 3.49Å; A307-A335 HydrophobicContact CB-CB 3.88Å; A307-F341 HydrophobicContact CB-CE1 3.59Å; A307-F341 HydrophobicContact CB-CZ 3.57Å
308S98.2Very high96.3Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-130.4134.9-168.9177.70000112.4F225 S310 Q318 H325 L326 C327F225-S308 WeakPolarHBondContact CD1-OG 3.2Å; S308-S310 PolarHBondContact O-N 3.17Å; S308-S310 VanDerWaalsContact OG-CB 3.29Å; S308-S310 WeakPolarHBondContact OG-CB 3.4Å; S308-S310 PolarHBondContact OG-N 3.49Å; S308-S310 VanDerWaalsContact OG-N 3.13Å; S308-S310 PolarHBondContact OG-OG 3.38Å; S308-Q318 PolarHBondContact OG-NE2 3.3Å; S308-Q318 VanDerWaalsContact OG-NE2 3.14Å; S308-H325 PolarHBondContact N-O 2.84Å; S308-L326 VanDerWaalsContact O-CA 3.31Å; S308-L326 WeakPolarHBondContact O-CA 3.48Å; S308-C327 PolarHBondContact O-N 3.33Å
309T98.1Very high96.6Very high0 Ų034.3 Ų34.30%019%0.188CC..  trans-86.67.9172.366.80000113K72 F225 I226 G227 N231 P329 A332K72-T309 PolarHBondContact NZ-O 3.41Å; K72-T309 VanDerWaalsContact NZ-O 3.11Å; F225-T309 WeakPolarHBondContact O-CG2 3.45Å; F225-T309 PolarHBondContact O-N 2.89Å; F225-T309 PolarHBondContact O-OG1 3.46Å; I226-T309 HydrophobicContact CB-CG2 4.46Å; I226-T309 HydrophobicContact CG1-CG2 4.29Å; I226-T309 HydrophobicContact CG2-CG2 4.42Å; G227-T309 PolarHBondContact N-OG1 3.32Å; G227-T309 PolarHBondContact O-OG1 3.23Å; N231-T309 PolarHBondContact OD1-O 2.91Å; T309-P329 HydrophobicContact CG2-CB 4.31Å; T309-P329 HydrophobicContact CG2-CG 4.16Å; T309-A332 HydrophobicContact CG2-CB 3.65Å
310S96.5Very high96.6Very high0 Ų035 Ų350%020%0.195CC..SBendtrans-67.4-179.6174.170.40000112.9K72 S308 R312 L326K72-S310 WeakPolarHBondContact CE-O 3.2Å; K72-S310 PolarHBondContact NZ-O 3.2Å; S308-S310 PolarHBondContact O-N 3.17Å; S308-S310 VanDerWaalsContact OG-CB 3.29Å; S308-S310 WeakPolarHBondContact OG-CB 3.4Å; S308-S310 PolarHBondContact OG-N 3.49Å; S308-S310 VanDerWaalsContact OG-N 3.13Å; S308-S310 PolarHBondContact OG-OG 3.38Å; S310-R312 PolarHBondContact OG-O 2.8Å; S310-L326 WeakPolarHBondContact OG-CD2 3.4Å
311N95.2Very high96.6Very high1 Ų138.5 Ų38.51%0.00521%0.213CC..SBendtrans-100.9-13.2177.648.528000114.4H21 N112 M113 E116 T230 L326H21-N311 PolarHBondContact CD2-ND2 3.03Å; H21-N311 PolarHBondContact CE1-ND2 2.96Å; H21-N311 PolarHBondContact NE2-ND2 3.21Å; N112-N311 PolarHBondContact OD1-ND2 2.96Å; M113-N311 HydrophobicContact CE-CB 4.47Å; M113-N311 HydrophobicContact CG-CB 3.83Å; M113-N311 HydrophobicContact SD-CB 4.25Å; E116-N311 WeakPolarHBondContact CG-O 3.21Å; T230-N311 HydrophobicContact CG2-CB 4.31Å; T230-N311 WeakPolarHBondContact OG1-CB 3.29Å; T230-N311 PolarHBondContact OG1-ND2 2.89Å; N311-L326 VanDerWaalsContact O-CD1 3.3Å; N311-L326 WeakPolarHBondContact O-CD1 3.2Å
312R95.7Very high96.6Very high42 Ų4235.3 Ų35.316%0.15819%0.193CC..  trans-133130.7-174-70.8177.2178.41685.8112.4S20 H21 E116 S310 F314 R317S20-R312 PolarHBondContact OG-NH2 3.34Å; H21-R312 VanDerWaalsContact CE1-CZ 3.45Å; H21-R312 PolarHBondContact CE1-NH2 3.34Å; H21-R312 VanDerWaalsContact CE1-NH2 3.32Å; E116-R312 HydrophobicContact CG-CG 4.47Å; E116-R312 IonicContact OE1-CZ 3.15Å; E116-R312 IonicContact OE1-NE 2.67Å; E116-R312 PolarHBondContact OE1-NE 3.06Å; E116-R312 IonicContact OE1-NH2 2.84Å; S310-R312 PolarHBondContact OG-O 2.8Å; R312-F314 HydrophobicContact CB-CD2 4.15Å; R312-F314 HydrophobicContact CB-CE2 4.22Å; R312-F314 HydrophobicContact CG-CD2 4.18Å; R312-F314 HydrophobicContact CG-CE2 3.76Å; R312-F314 HydrophobicContact CG-CZ 4.31Å; R312-R317 HydrophobicContact CB-CG 4.15Å
313N96.9Very high96.7Very high2 Ų234.7 Ų34.71%0.01118%0.176CC..  trans-119.325.4175.461.2-33.9000112.8T178 G180 T181 N182 P183 T324 L326T178-N313 WeakPolarHBondContact CB-ND2 3.36Å; T178-N313 PolarHBondContact OG1-ND2 2.94Å; G180-N313 PolarHBondContact O-ND2 2.79Å; T181-N313 CarbonylContact C-O 3.54Å; N182-N313 WeakPolarHBondContact CA-OD1 3.5Å; N182-N313 PolarHBondContact N-ND2 2.75Å; N182-N313 PolarHBondContact O-ND2 2.95Å; N182-N313 PolarHBondContact O-OD1 2.86Å; P183-N313 WeakPolarHBondContact CD-OD1 3.16Å; N313-T324 HydrophobicContact CB-CG2 4.03Å; N313-T324 VanDerWaalsContact CB-O 3.32Å; N313-T324 WeakPolarHBondContact CB-O 3.43Å; N313-L326 HydrophobicContact CB-CD1 4.35Å; N313-L326 HydrophobicContact CB-CD2 3.97Å; N313-L326 HydrophobicContact CB-CG 3.89Å
314F96Very high96.7Very high88 Ų8833.4 Ų33.439%0.38616%0.163SC..  trans-57.9150.4174.1-53.8-43000111.6T181 N182 R312 G316 R317T181-F314 VanDerWaalsContact O-CA 3.32Å; T181-F314 WeakPolarHBondContact O-CA 3.31Å; N182-F314 HydrophobicContact CB-CD1 4.11Å; N182-F314 HydrophobicContact CB-CE1 3.89Å; R312-F314 HydrophobicContact CB-CD2 4.15Å; R312-F314 HydrophobicContact CB-CE2 4.22Å; R312-F314 HydrophobicContact CG-CD2 4.18Å; R312-F314 HydrophobicContact CG-CE2 3.76Å; R312-F314 HydrophobicContact CG-CZ 4.31Å; F314-G316 PolarHBondContact O-N 2.94Å; F314-R317 HydrophobicContact CB-CB 4.43Å; F314-R317 WeakPolarHBondContact O-CB 3.08Å; F314-R317 PolarHBondContact O-N 3.41Å
315Q96.7Very high96.7Very high112 Ų11231.4 Ų31.452%0.52315%0.151SC..THydrogen-bonded Turntrans-53.6129.7178-59.6-175.919.200110.6T181 Y207 R317T181-Q315 HydrophobicContact CG2-CG 3.73Å; Y207-Q315 HydrophobicContact CD1-CG 3.98Å; Y207-Q315 HydrophobicContact CD2-CB 4.38Å; Y207-Q315 HydrophobicContact CD2-CG 3.87Å; Y207-Q315 HydrophobicContact CE1-CB 4.21Å; Y207-Q315 HydrophobicContact CE1-CG 3.87Å; Y207-Q315 HydrophobicContact CE2-CB 3.79Å; Y207-Q315 HydrophobicContact CE2-CG 3.77Å; Y207-Q315 HydrophobicContact CG-CG 3.98Å; Y207-Q315 WeakPolarHBondContact OH-CA 3.36Å; Q315-R317 VanDerWaalsContact C-N 3.26Å; Q315-R317 PolarHBondContact O-N 3.29Å
316G94.4Very high96.7Very high38 Ų3831 Ų3139%0.39215%0.149SC..THydrogen-bonded Turntrans80.9-4.9179.500000115.3Y207 F314 Q318 G319Y207-G316 PolarHBondContact OH-N 2.84Å; F314-G316 PolarHBondContact O-N 2.94Å; G316-Q318 PolarHBondContact O-N 3.38Å; G316-G319 CarbonylContact C-O 3.51Å; G316-G319 WeakPolarHBondContact CA-O 3.25Å; G316-G319 PolarHBondContact O-N 3.17Å
317R94.2Very high96.7Very high65 Ų6531 Ų3125%0.24515%0.149CC..THydrogen-bonded Turntrans-61.6-42.6-169.3179.357.8178.4-172.4-4.6113.8C292 L293 G294 R312 F314 Q315C292-R317 PolarHBondContact O-NE 3.38Å; L293-R317 CarbonylContact C-O 3.59Å; L293-R317 WeakPolarHBondContact CA-O 3.41Å; G294-R317 PolarHBondContact N-O 2.87Å; R312-R317 HydrophobicContact CB-CG 4.15Å; F314-R317 HydrophobicContact CB-CB 4.43Å; F314-R317 WeakPolarHBondContact O-CB 3.08Å; F314-R317 PolarHBondContact O-N 3.41Å; Q315-R317 VanDerWaalsContact C-N 3.26Å; Q315-R317 PolarHBondContact O-N 3.29Å
318Q95.6Very high96.7Very high0 Ų031 Ų310%015%0.149CC..THydrogen-bonded Turntrans-100.88.3-179.8-57.6-155.8-56.900113.2M291 R299 V300 C306 S308 G316 A322 T324M291-Q318 HydrophobicContact CG-CB 3.94Å; M291-Q318 HydrophobicContact CG-CG 4.34Å; M291-Q318 WeakPolarHBondContact O-CG 3.32Å; M291-Q318 PolarHBondContact O-NE2 2.89Å; R299-Q318 CarbonylContact C-O 3.47Å; R299-Q318 VanDerWaalsContact CA-O 3.28Å; R299-Q318 WeakPolarHBondContact CA-O 3.44Å; V300-Q318 HydrophobicContact CB-CB 4.47Å; V300-Q318 HydrophobicContact CG2-CB 3.85Å; V300-Q318 PolarHBondContact N-O 3.09Å; C306-Q318 PolarHBondContact SG-OE1 3.3Å; S308-Q318 PolarHBondContact OG-NE2 3.3Å; S308-Q318 VanDerWaalsContact OG-NE2 3.14Å; G316-Q318 PolarHBondContact O-N 3.38Å; Q318-A322 HydrophobicContact CB-CB 4.44Å; Q318-T324 HydrophobicContact CG-CG2 4.09Å; Q318-T324 WeakPolarHBondContact CG-OG1 3.32Å; Q318-T324 VanDerWaalsContact OE1-CG2 3.26Å; Q318-T324 PolarHBondContact OE1-OG1 3.15Å
319G94.9Very high96.7Very high6 Ų631.4 Ų31.46%0.06215%0.151CC..SBendtrans144.9152.1-170.300000110.5G316 D321 A322G316-G319 CarbonylContact C-O 3.51Å; G316-G319 WeakPolarHBondContact CA-O 3.25Å; G316-G319 PolarHBondContact O-N 3.17Å; G319-D321 PolarHBondContact O-N 3.26Å; G319-A322 VanDerWaalsContact O-CB 3.25Å; G319-A322 WeakPolarHBondContact O-CB 3.43Å; G319-A322 PolarHBondContact O-N 3.15Å; G319-A322 VanDerWaalsContact O-N 3.17Å
320K94.6Very high96.6Very high166 Ų16631.4 Ų31.472%0.72215%0.152SC*.THydrogen-bonded Turntrans-58.7126.7177.4-177.6-176.4173.5-1750109.3A302 A322A302-K320 WeakPolarHBondContact CA-O 3.49Å; K320-A322 PolarHBondContact O-N 3.34Å; K320-A322 VanDerWaalsContact O-N 3.15Å
321D96.3Very high96.7Very high77 Ų7731.4 Ų31.441%0.41215%0.152SC..THydrogen-bonded Turntrans57.622.1179.8-50.9-37.7000114.6Y207 A302 G303 G319Y207-D321 WeakPolarHBondContact OH-CA 3.45Å; A302-D321 HydrophobicContact CB-CB 3.99Å; G303-D321 PolarHBondContact N-O 3.36Å; G319-D321 PolarHBondContact O-N 3.26Å
322A97.3Very high96.9Very high1 Ų131.4 Ų31.41%0.00815%0.151CC..  trans-72.3136.8173.800000111.8Y207 V300 Q318 G319 K320Y207-A322 WeakPolarHBondContact CE1-O 3.19Å; Y207-A322 PolarHBondContact OH-O 2.99Å; V300-A322 HydrophobicContact CB-CB 3.62Å; V300-A322 HydrophobicContact CG1-CB 3.85Å; V300-A322 HydrophobicContact CG2-CB 4.46Å; Q318-A322 HydrophobicContact CB-CB 4.44Å; G319-A322 VanDerWaalsContact O-CB 3.25Å; G319-A322 WeakPolarHBondContact O-CB 3.43Å; G319-A322 PolarHBondContact O-N 3.15Å; G319-A322 VanDerWaalsContact O-N 3.17Å; K320-A322 PolarHBondContact O-N 3.34Å; K320-A322 VanDerWaalsContact O-N 3.15Å
323R98.1Very high97Very high53 Ų5329.4 Ų29.420%0.214%0.144CC..EExtended strand (participates in β ladder)trans-103.896-179.2-62.4172.9178.3155.58.7109.9Y207 M208 A209 G303 V304 H305 C306Y207-R323 PolarHBondContact O-NE 2.86Å; M208-R323 HydrophobicContact CE-CB 3.83Å; M208-R323 VanDerWaalsContact O-CD 3.31Å; M208-R323 WeakPolarHBondContact O-CD 3.4Å; M208-R323 PolarHBondContact O-NE 3.48Å; M208-R323 HydrophobicContact SD-CB 3.86Å; M208-R323 HydrophobicContact SD-CG 4.1Å; A209-R323 VanDerWaalsContact CB-NH1 3.31Å; A209-R323 VanDerWaalsContact CB-NH2 3.32Å; G303-R323 PolarHBondContact O-NH1 3.03Å; V304-R323 PolarHBondContact O-N 3.36Å; H305-R323 CarbonylContact C-O 3.34Å; H305-R323 VanDerWaalsContact CA-O 3.3Å; H305-R323 WeakPolarHBondContact CA-O 3.44Å; H305-R323 WeakPolarHBondContact NE2-CD 3.48Å; H305-R323 PolarHBondContact NE2-NH1 3.03Å; C306-R323 PolarHBondContact N-O 3.04Å
324T98.2Very high97Very high1 Ų129.3 Ų29.31%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-97.3135.3-170.7-55.40000111.6N313 Q318 L326N313-T324 HydrophobicContact CB-CG2 4.03Å; N313-T324 VanDerWaalsContact CB-O 3.32Å; N313-T324 WeakPolarHBondContact CB-O 3.43Å; Q318-T324 HydrophobicContact CG-CG2 4.09Å; Q318-T324 WeakPolarHBondContact CG-OG1 3.32Å; Q318-T324 VanDerWaalsContact OE1-CG2 3.26Å; Q318-T324 PolarHBondContact OE1-OG1 3.15Å; T324-L326 HydrophobicContact CG2-CD2 4.13Å
325H98.6Very high97.2Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-121.1111.9178.2-60-76.7000109.6V177 T178 M208 I219 H305 C306 S308 F341V177-H325 HydrophobicContact CG1-CB 4.16Å; T178-H325 PolarHBondContact O-ND1 2.99Å; T178-H325 WeakPolarHBondContact OG1-CA 3.06Å; M208-H325 WeakPolarHBondContact CE-CE1 3.36Å; M208-H325 WeakPolarHBondContact CE-NE2 3.31Å; I219-H325 WeakPolarHBondContact CG2-NE2 3.48Å; H305-H325 AromaticContact CE1-NE2 3.91Å; H305-H325 AromaticContact CG-NE2 3.78Å; H305-H325 AromaticContact ND1-CD2 3.9Å; H305-H325 AromaticContact ND1-CE1 3.84Å; H305-H325 AromaticContact ND1-NE2 2.9Å; H305-H325 PolarHBondContact ND1-NE2 2.98Å; C306-H325 PolarHBondContact O-N 3.32Å; S308-H325 PolarHBondContact N-O 2.84Å; H325-F341 HydrophobicContact CB-CE2 3.71Å; H325-F341 HydrophobicContact CB-CZ 3.58Å
326L98.6Very high97.3Very high0 Ų019.8 Ų19.80%010%0.1CC..EExtended strand (participates in β ladder)trans-75.2132.8177.9-49-176.5000110L76 V177 T178 P183 S308 S310 N311 N313 T324L76-L326 HydrophobicContact CD2-CB 4.26Å; L76-L326 HydrophobicContact CD2-CD1 4.43Å; V177-L326 WeakPolarHBondContact CA-O 3.42Å; T178-L326 HydrophobicContact CG2-CB 3.82Å; T178-L326 HydrophobicContact CG2-CD1 4.17Å; T178-L326 HydrophobicContact CG2-CG 4.04Å; T178-L326 PolarHBondContact N-O 3.24Å; T178-L326 VanDerWaalsContact N-O 3.14Å; T178-L326 PolarHBondContact OG1-N 3.27Å; P183-L326 HydrophobicContact CB-CD1 4.31Å; P183-L326 HydrophobicContact CG-CD1 4.03Å; S308-L326 VanDerWaalsContact O-CA 3.31Å; S308-L326 WeakPolarHBondContact O-CA 3.48Å; S310-L326 WeakPolarHBondContact OG-CD2 3.4Å; N311-L326 VanDerWaalsContact O-CD1 3.3Å; N311-L326 WeakPolarHBondContact O-CD1 3.2Å; N313-L326 HydrophobicContact CB-CD1 4.35Å; N313-L326 HydrophobicContact CB-CD2 3.97Å; N313-L326 HydrophobicContact CB-CG 3.89Å; T324-L326 HydrophobicContact CG2-CD2 4.13Å
327C98.4Very high97.4Very high0 Ų019.1 Ų19.10%09%0.087CC..  trans-153.9176.7177.459.70000110.5K72 V177 S308 M331 F341K72-C327 PolarHBondContact NZ-O 2.92Å; V177-C327 HydrophobicContact CG2-CB 4.35Å; S308-C327 PolarHBondContact O-N 3.33Å; C327-M331 HydrophobicContact CB-CB 3.84Å; C327-M331 HydrophobicContact CB-SD 4.26Å; C327-F341 HydrophobicContact CB-CE1 3.96Å
328S98.2Very high97.6Very high0 Ų019.2 Ų19.20%09%0.09CC..  trans-73.9160.417367.80000112.2A330 M331 A332S328-A330 PolarHBondContact O-N 3.17Å; S328-M331 PolarHBondContact O-N 3.18Å; S328-M331 WeakPolarHBondContact OG-CG 3.35Å; S328-M331 PolarHBondContact OG-N 3.4Å; S328-A332 PolarHBondContact O-N 2.78Å
329P97.7Very high97.7Very high7 Ų719.7 Ų19.75%0.04510%0.096CC..Hα-helixtrans-53.2-39.2173.3-29.737.9000114.1N231 D236 T309 A332 A333N231-P329 HydrophobicContact CB-CG 3.81Å; D236-P329 HydrophobicContact CB-CB 4.41Å; D236-P329 HydrophobicContact CB-CG 3.9Å; T309-P329 HydrophobicContact CG2-CB 4.31Å; T309-P329 HydrophobicContact CG2-CG 4.16Å; P329-A332 PolarHBondContact O-N 3.34Å; P329-A333 WeakPolarHBondContact O-CB 3.12Å; P329-A333 PolarHBondContact O-N 2.78Å
330A97.8Very high97.9Very high1 Ų122.2 Ų22.21%0.00811%0.108CC..Hα-helixtrans-64.2-45.1178.600000112.1Y70 I243 S328 A333 L334 V348Y70-A330 HydrophobicContact CD2-CB 4.14Å; Y70-A330 HydrophobicContact CE2-CB 3.27Å; Y70-A330 WeakPolarHBondContact OH-CB 3.24Å; I243-A330 VanDerWaalsContact CD1-CA 3.44Å; I243-A330 HydrophobicContact CD1-CB 3.55Å; S328-A330 PolarHBondContact O-N 3.17Å; A330-A333 PolarHBondContact O-N 3.07Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 2.77Å; A330-V348 HydrophobicContact CB-CG1 4.19Å
331M97.6Very high98Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-66.2-39.8176.7-73-165.974.700112.7P175 V177 F189 C327 S328 A333 L334 A335 F341P175-M331 HydrophobicContact CB-CE 4.4Å; P175-M331 HydrophobicContact CB-CG 4.21Å; P175-M331 HydrophobicContact CB-SD 3.41Å; P175-M331 WeakPolarHBondContact CB-SD 3.46Å; V177-M331 HydrophobicContact CG2-CE 3.15Å; V177-M331 HydrophobicContact CG2-SD 3.8Å; F189-M331 HydrophobicContact CD2-CE 3.62Å; F189-M331 HydrophobicContact CE2-CE 4.16Å; C327-M331 HydrophobicContact CB-CB 3.84Å; C327-M331 HydrophobicContact CB-SD 4.26Å; S328-M331 PolarHBondContact O-N 3.18Å; S328-M331 WeakPolarHBondContact OG-CG 3.35Å; S328-M331 PolarHBondContact OG-N 3.4Å; M331-A333 VanDerWaalsContact C-N 3.35Å; M331-L334 PolarHBondContact O-N 2.99Å; M331-A335 VanDerWaalsContact O-CB 3.31Å; M331-A335 WeakPolarHBondContact O-CB 3.41Å; M331-A335 PolarHBondContact O-N 3.23Å; M331-F341 HydrophobicContact CE-CB 4.37Å; M331-F341 HydrophobicContact CE-CD1 3.86Å; M331-F341 HydrophobicContact CE-CG 4.41Å
332A98.4Very high98.1Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-62.9-42.5175.200000111.4V224 I226 T309 S328 P329 A335 A336V224-A332 HydrophobicContact CG1-CB 4.1Å; V224-A332 WeakPolarHBondContact CG1-O 3.44Å; I226-A332 HydrophobicContact CD1-CB 4.3Å; I226-A332 HydrophobicContact CG1-CB 3.84Å; T309-A332 HydrophobicContact CG2-CB 3.65Å; S328-A332 PolarHBondContact O-N 2.78Å; P329-A332 PolarHBondContact O-N 3.34Å; A332-A335 PolarHBondContact O-N 2.82Å; A332-A336 PolarHBondContact O-N 3.31Å
333A98.4Very high98Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-61.7-46175.500000111.9I226 A240 I243 V244 P329 A330 M331 A335 A336 I337I226-A333 HydrophobicContact CD1-CB 4.02Å; A240-A333 HydrophobicContact CB-CB 4Å; I243-A333 HydrophobicContact CB-CB 4.08Å; I243-A333 HydrophobicContact CD1-CB 4.2Å; I243-A333 HydrophobicContact CG2-CB 3.89Å; V244-A333 HydrophobicContact CG1-CB 3.93Å; P329-A333 WeakPolarHBondContact O-CB 3.12Å; P329-A333 PolarHBondContact O-N 2.78Å; A330-A333 PolarHBondContact O-N 3.07Å; M331-A333 VanDerWaalsContact C-N 3.35Å; A333-A335 VanDerWaalsContact C-N 3.35Å; A333-A335 PolarHBondContact O-N 3.48Å; A333-A336 WeakPolarHBondContact O-CB 3.35Å; A333-A336 PolarHBondContact O-N 3.29Å; A333-I337 PolarHBondContact O-N 3.33Å
334L98.2Very high98Very high0 Ų09.5 Ų9.50%05%0.052CC..Hα-helixtrans-61.8-42.2174.5-71.6169.4000111.9I243 A330 M331 A336 I337 H338 V342 E347I243-L334 HydrophobicContact CG2-CD2 3.6Å; I243-L334 HydrophobicContact CG2-CG 3.85Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 2.77Å; M331-L334 PolarHBondContact O-N 2.99Å; L334-A336 PolarHBondContact O-N 2.97Å; L334-I337 PolarHBondContact O-N 3.48Å; L334-I337 VanDerWaalsContact O-N 3.08Å; L334-H338 PolarHBondContact O-CD2 3.39Å; L334-H338 VanDerWaalsContact O-CD2 3.3Å; L334-H338 PolarHBondContact O-N 3.45Å; L334-V342 HydrophobicContact CB-CB 4.39Å; L334-E347 HydrophobicContact CD1-CB 4.33Å; L334-E347 HydrophobicContact CD2-CB 3.69Å; L334-E347 HydrophobicContact CD2-CG 4.42Å; L334-E347 WeakPolarHBondContact CD2-OE2 3.18Å
335A98.4Very high97.9Very high0 Ų013.3 Ų13.30%07%0.066CC..Hα-helixtrans-61.4-32.317700000112.9I221 V224 A307 M331 A332 A333 I337 G339 N340 F341I221-A335 HydrophobicContact CG1-CB 4.32Å; I221-A335 HydrophobicContact CG2-CB 4.44Å; V224-A335 HydrophobicContact CG2-CB 4.44Å; A307-A335 HydrophobicContact CB-CB 3.88Å; M331-A335 VanDerWaalsContact O-CB 3.31Å; M331-A335 WeakPolarHBondContact O-CB 3.41Å; M331-A335 PolarHBondContact O-N 3.23Å; A332-A335 PolarHBondContact O-N 2.82Å; A333-A335 VanDerWaalsContact C-N 3.35Å; A333-A335 PolarHBondContact O-N 3.48Å; A335-I337 VanDerWaalsContact C-N 3.33Å; A335-G339 WeakPolarHBondContact O-CA 3.41Å; A335-G339 PolarHBondContact O-N 2.88Å; A335-N340 VanDerWaalsContact CA-O 3.3Å; A335-N340 WeakPolarHBondContact CA-O 3.36Å; A335-F341 HydrophobicContact CB-CD1 4.13Å; A335-F341 HydrophobicContact CB-CE1 4.31Å
336A98.6Very high97.6Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-66.1-36.5174.900000112.6V224 V249 H250 A255 F282 A332 A333 L334V224-A336 HydrophobicContact CB-CB 4.19Å; V224-A336 HydrophobicContact CG1-CB 4.18Å; V224-A336 HydrophobicContact CG2-CB 3.89Å; V249-A336 WeakPolarHBondContact CA-O 3.46Å; V249-A336 HydrophobicContact CG2-CB 4.39Å; H250-A336 PolarHBondContact N-O 2.92Å; A255-A336 HydrophobicContact CB-CB 4.09Å; F282-A336 HydrophobicContact CE1-CB 4.08Å; F282-A336 HydrophobicContact CE2-CB 3.92Å; F282-A336 HydrophobicContact CZ-CB 3.32Å; A332-A336 PolarHBondContact O-N 3.31Å; A333-A336 WeakPolarHBondContact O-CB 3.35Å; A333-A336 PolarHBondContact O-N 3.29Å; L334-A336 PolarHBondContact O-N 2.97Å
337I98.3Very high97.1Very high25 Ų2524.3 Ų24.313%0.12812%0.116CC..Hα-helixtrans-78.9-39.3-179-58.4-53.8000111.6V244 K247 K248 A333 L334 A335V244-I337 HydrophobicContact CB-CD1 4.25Å; V244-I337 HydrophobicContact CG1-CD1 4.12Å; V244-I337 HydrophobicContact CG1-CG1 4.27Å; K247-I337 HydrophobicContact CB-CD1 3.76Å; K247-I337 HydrophobicContact CB-CG1 4.34Å; K247-I337 HydrophobicContact CB-CG2 4.35Å; K247-I337 HydrophobicContact CD-CG1 4.28Å; K247-I337 HydrophobicContact CD-CG2 4.02Å; K248-I337 VanDerWaalsContact O-CD1 3.31Å; K248-I337 WeakPolarHBondContact O-CD1 3.09Å; A333-I337 PolarHBondContact O-N 3.33Å; L334-I337 PolarHBondContact O-N 3.48Å; L334-I337 VanDerWaalsContact O-N 3.08Å; A335-I337 VanDerWaalsContact C-N 3.33Å
338H97.7Very high96.3Very high66 Ų6624.7 Ų24.731%0.30612%0.118SC..Hα-helixtrans-97.6-16.9-171.2-69.1-76.3000114.5L334 N340 V342 E347L334-H338 PolarHBondContact O-CD2 3.39Å; L334-H338 VanDerWaalsContact O-CD2 3.3Å; L334-H338 PolarHBondContact O-N 3.45Å; H338-N340 PolarHBondContact O-N 2.92Å; H338-V342 HydrophobicContact CB-CG2 3.73Å; H338-E347 IonicContact CD2-OE2 3.67Å; H338-E347 IonicContact CE1-OE1 3.59Å; H338-E347 PolarHBondContact CE1-OE1 3.47Å; H338-E347 IonicContact CE1-OE2 3.26Å; H338-E347 VanDerWaalsContact NE2-CD 3.31Å; H338-E347 IonicContact NE2-OE1 3.29Å; H338-E347 PolarHBondContact NE2-OE1 3.13Å; H338-E347 IonicContact NE2-OE2 2.78Å; H338-E347 PolarHBondContact NE2-OE2 3.24Å
339G98Very high94.7Very high11 Ų1134.1 Ų34.111%0.11317%0.166CC..SBendtrans74.36.3-175.200000114.6I221 A335I221-G339 PolarHBondContact N-O 3Å; A335-G339 WeakPolarHBondContact O-CA 3.41Å; A335-G339 PolarHBondContact O-N 2.88Å
340N98Very high94.5Very high58 Ų5835.5 Ų35.531%0.3117%0.172SC..SBendtrans-152.7169.2173.357.752.8000109.4A335 H338A335-N340 VanDerWaalsContact CA-O 3.3Å; A335-N340 WeakPolarHBondContact CA-O 3.36Å; H338-N340 PolarHBondContact O-N 2.92Å
341F98.2Very high94.4Very high0 Ų037.3 Ų37.30%018%0.181CC..  trans-71.8133.9175.5-73-70.1000111.9V177 F189 P216 T217 I219 I221 A307 H325 C327 M331 A335V177-F341 HydrophobicContact CG1-CD2 3.95Å; V177-F341 HydrophobicContact CG1-CE1 4.21Å; V177-F341 HydrophobicContact CG1-CE2 3.5Å; V177-F341 HydrophobicContact CG1-CG 4.45Å; V177-F341 HydrophobicContact CG1-CZ 3.65Å; V177-F341 HydrophobicContact CG2-CD1 4.13Å; V177-F341 HydrophobicContact CG2-CE1 4.24Å; V177-F341 HydrophobicContact CG2-CG 4.27Å; V177-F341 HydrophobicContact CG2-CZ 4.49Å; F189-F341 HydrophobicContact CE2-CB 3.92Å; P216-F341 HydrophobicContact CB-CB 4.3Å; T217-F341 WeakPolarHBondContact CG2-O 3.42Å; I219-F341 HydrophobicContact CB-CD2 4.14Å; I219-F341 HydrophobicContact CB-CE2 4.39Å; I219-F341 HydrophobicContact CD1-CD2 3.85Å; I219-F341 HydrophobicContact CD1-CE2 3.84Å; I219-F341 HydrophobicContact CG2-CD2 4.49Å; I219-F341 HydrophobicContact CG2-CE2 4.29Å; I221-F341 HydrophobicContact CD1-CD2 4.18Å; I221-F341 HydrophobicContact CD1-CE2 3.68Å; I221-F341 HydrophobicContact CD1-CZ 4.03Å; I221-F341 HydrophobicContact CG1-CD2 4.44Å; I221-F341 HydrophobicContact CG1-CE2 4.38Å; A307-F341 HydrophobicContact CB-CE1 3.59Å; A307-F341 HydrophobicContact CB-CZ 3.57Å; H325-F341 HydrophobicContact CB-CE2 3.71Å; H325-F341 HydrophobicContact CB-CZ 3.58Å; C327-F341 HydrophobicContact CB-CE1 3.96Å; M331-F341 HydrophobicContact CE-CB 4.37Å; M331-F341 HydrophobicContact CE-CD1 3.86Å; M331-F341 HydrophobicContact CE-CG 4.41Å; A335-F341 HydrophobicContact CB-CD1 4.13Å; A335-F341 HydrophobicContact CB-CE1 4.31Å
342V97.1Very high94.2Very high24 Ų2439.4 Ų39.415%0.14519%0.191CC..  trans-121.4149.2174.8178.80000109.9F189 L334 H338 S344 E347F189-V342 VanDerWaalsContact CZ-C 3.47Å; L334-V342 HydrophobicContact CB-CB 4.39Å; H338-V342 HydrophobicContact CB-CG2 3.73Å; V342-S344 PolarHBondContact O-N 3.2Å; V342-S344 VanDerWaalsContact O-N 3.13Å; V342-E347 HydrophobicContact CG1-CG 4.49Å
343D96.3Very high93.9Very high7 Ų741.7 Ų41.74%0.03720%0.202CC..  trans-65108.6179.2-162.1-24000110.7F189 R345 K346F189-D343 HydrophobicContact CD1-CB 3.56Å; F189-D343 HydrophobicContact CE1-CB 3.34Å; F189-D343 HydrophobicContact CG-CB 4.41Å; F189-D343 HydrophobicContact CZ-CB 3.98Å; D343-R345 PolarHBondContact O-N 3.21Å; D343-R345 VanDerWaalsContact O-N 3.13Å; D343-R345 VanDerWaalsContact OD1-CB 3.26Å; D343-R345 WeakPolarHBondContact OD1-CB 3.49Å; D343-R345 VanDerWaalsContact OD1-CG 3.3Å; D343-R345 WeakPolarHBondContact OD1-CG 3.37Å; D343-R345 IonicContact OD1-CZ 3.49Å; D343-R345 PolarHBondContact OD1-N 3.36Å; D343-R345 VanDerWaalsContact OD1-N 3.09Å; D343-R345 IonicContact OD1-NE 2.92Å; D343-R345 PolarHBondContact OD1-NE 3.48Å; D343-R345 IonicContact OD1-NH2 3.59Å; D343-R345 IonicContact OD2-CZ 3.57Å; D343-R345 VanDerWaalsContact OD2-CZ 3.31Å; D343-R345 IonicContact OD2-NE 3.84Å; D343-R345 PolarHBondContact OD2-NE 2.85Å; D343-R345 VanDerWaalsContact OD2-NE 3.13Å; D343-R345 IonicContact OD2-NH2 3.87Å; D343-R345 PolarHBondContact OD2-NH2 3.01Å; D343-K346 HydrophobicContact CB-CD 3.97Å; D343-K346 HydrophobicContact CB-CG 4.03Å; D343-K346 PolarHBondContact O-N 3.46Å
344S96.8Very high93.6Very high0 Ų044.3 Ų44.30%022%0.215CC..Hα-helixtrans-60.5-24.5178.946.90000112.7G68 P175 V342 K346 E347 V348G68-S344 WeakPolarHBondContact O-CB 3.33Å; G68-S344 PolarHBondContact O-OG 3.07Å; P175-S344 WeakPolarHBondContact CB-OG 3.31Å; P175-S344 WeakPolarHBondContact CG-OG 3.45Å; V342-S344 PolarHBondContact O-N 3.2Å; V342-S344 VanDerWaalsContact O-N 3.13Å; S344-K346 PolarHBondContact O-N 3Å; S344-K346 VanDerWaalsContact O-N 3.13Å; S344-E347 PolarHBondContact O-N 3.17Å; S344-V348 WeakPolarHBondContact O-CG1 3.45Å; S344-V348 VanDerWaalsContact O-CG2 3.26Å; S344-V348 WeakPolarHBondContact O-CG2 3.47Å; S344-V348 PolarHBondContact O-N 3.23Å
345R96.1Very high93.3Very high80 Ų8047.3 Ų47.330%0.30223%0.229SC..Hα-helixtrans-61.3-23.2175.7-58175.5-69.1-177-3.9113K67 V69 P175 D190 D343K67-R345 WeakPolarHBondContact O-CG 3.21Å; V69-R345 HydrophobicContact CG2-CG 4.33Å; P175-R345 HydrophobicContact CG-CG 3.93Å; D190-R345 IonicContact OD2-CZ 2.7Å; D190-R345 IonicContact OD2-NH1 2.91Å; D190-R345 PolarHBondContact OD2-NH1 2.81Å; D190-R345 IonicContact OD2-NH2 3.04Å; D190-R345 PolarHBondContact OD2-NH2 3.4Å; D343-R345 PolarHBondContact O-N 3.21Å; D343-R345 VanDerWaalsContact O-N 3.13Å; D343-R345 VanDerWaalsContact OD1-CB 3.26Å; D343-R345 WeakPolarHBondContact OD1-CB 3.49Å; D343-R345 VanDerWaalsContact OD1-CG 3.3Å; D343-R345 WeakPolarHBondContact OD1-CG 3.37Å; D343-R345 IonicContact OD1-CZ 3.49Å; D343-R345 PolarHBondContact OD1-N 3.36Å; D343-R345 VanDerWaalsContact OD1-N 3.09Å; D343-R345 IonicContact OD1-NE 2.92Å; D343-R345 PolarHBondContact OD1-NE 3.48Å; D343-R345 IonicContact OD1-NH2 3.59Å; D343-R345 IonicContact OD2-CZ 3.57Å; D343-R345 VanDerWaalsContact OD2-CZ 3.31Å; D343-R345 IonicContact OD2-NE 3.84Å; D343-R345 PolarHBondContact OD2-NE 2.85Å; D343-R345 VanDerWaalsContact OD2-NE 3.13Å; D343-R345 IonicContact OD2-NH2 3.87Å; D343-R345 PolarHBondContact OD2-NH2 3.01Å
346K92.3Very high93Very high163 Ų16350.6 Ų50.671%0.70925%0.246SC*.Hα-helixtrans-94.7-27-174.1-62.5-178.7-173.6173.30114D343 S344D343-K346 HydrophobicContact CB-CD 3.97Å; D343-K346 HydrophobicContact CB-CG 4.03Å; D343-K346 PolarHBondContact O-N 3.46Å; S344-K346 PolarHBondContact O-N 3Å; S344-K346 VanDerWaalsContact O-N 3.13Å
347E88.8Confident92.6Very high69 Ų6954.5 Ų54.532%0.32226%0.264SS..Hα-helixtrans-119.9-13.5-169.8-73-163.3-150.700115.3L334 H338 V342 S344L334-E347 HydrophobicContact CD1-CB 4.33Å; L334-E347 HydrophobicContact CD2-CB 3.69Å; L334-E347 HydrophobicContact CD2-CG 4.42Å; L334-E347 WeakPolarHBondContact CD2-OE2 3.18Å; H338-E347 IonicContact CD2-OE2 3.67Å; H338-E347 IonicContact CE1-OE1 3.59Å; H338-E347 PolarHBondContact CE1-OE1 3.47Å; H338-E347 IonicContact CE1-OE2 3.26Å; H338-E347 VanDerWaalsContact NE2-CD 3.31Å; H338-E347 IonicContact NE2-OE1 3.29Å; H338-E347 PolarHBondContact NE2-OE1 3.13Å; H338-E347 IonicContact NE2-OE2 2.78Å; H338-E347 PolarHBondContact NE2-OE2 3.24Å; V342-E347 HydrophobicContact CG1-CG 4.49Å; S344-E347 PolarHBondContact O-N 3.17Å
348V81.5Confident92.1Very high8 Ų857 Ų575%0.04828%0.276CS..  trans-74149.5170.4-52.80000109.7K67 I243 A330 S344K67-V348 HydrophobicContact CD-CG2 4.46Å; K67-V348 WeakPolarHBondContact CE-O 3.48Å; K67-V348 HydrophobicContact CG-CG2 3.81Å; K67-V348 PolarHBondContact NZ-O 3.5Å; I243-V348 HydrophobicContact CD1-CG1 3.87Å; I243-V348 HydrophobicContact CG1-CG1 4.28Å; A330-V348 HydrophobicContact CB-CG1 4.19Å; S344-V348 WeakPolarHBondContact O-CG1 3.45Å; S344-V348 VanDerWaalsContact O-CG2 3.26Å; S344-V348 WeakPolarHBondContact O-CG2 3.47Å; S344-V348 PolarHBondContact O-N 3.23Å
349I64.2Low91.6Very high198 Ų19856.2 Ų56.2100%1.01527%0.273SS*.  trans-90.20-176.7-62.7175.3000110.9K67K67-I349 WeakPolarHBondContact CE-OXT 3.3Å; K67-I349 PolarHBondContact NZ-OXT 2.9Å

Retrieved 349 of 349 residues in 236.7 ms (Link to these results)

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