A0A2K6RJE5_RHIRO Loading...

Cyanocobalamin reductase / alkylcobalamin dealkylase

AlphaFold DB , UniProt , Accession A0A2K6RJE5, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene MMACHC, Length 282 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
1M61.9Low90Very high126 Ų12668.1 Ų68.162%0.62135%0.345SS*.  0128.60179.7164.253.600106V5 A6 K9M1-V5 HydrophobicContact CG-CB 3.95Å; M1-V5 HydrophobicContact CG-CG1 3.92Å; M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 3.93Å; M1-A6 HydrophobicContact CE-CB 3.55Å; M1-A6 HydrophobicContact CG-CB 4.21Å; M1-A6 HydrophobicContact SD-CB 4.27Å; M1-K9 HydrophobicContact CE-CD 4.45Å; M1-K9 HydrophobicContact SD-CD 4.06Å
2E78.6Confident90.7Very high46 Ų4662.4 Ų62.422%0.21532%0.316CS..  trans-53.8137.7176.3-69.2178.3-162.100110K4 V5 A6 D173 L174E2-K4 PolarHBondContact O-N 3.06Å; E2-K4 VanDerWaalsContact O-N 3.15Å; E2-V5 HydrophobicContact CB-CB 4.48Å; E2-V5 HydrophobicContact CB-CG2 4.12Å; E2-V5 PolarHBondContact O-N 3.06Å; E2-A6 PolarHBondContact O-N 3.15Å; E2-D173 WeakPolarHBondContact OE1-CA 3.28Å; E2-D173 WeakPolarHBondContact OE1-CB 3.48Å; E2-D173 PolarHBondContact OE1-N 2.9Å; E2-L174 PolarHBondContact OE1-N 3.03Å
3P84Confident91.3Very high113 Ų11360.8 Ų60.873%0.73431%0.307SS*.Hα-helixtrans-54-37.4-175.7-28.134.7000113.7A6 E7P3-A6 WeakPolarHBondContact O-CB 3.39Å; P3-A6 PolarHBondContact O-N 3.47Å; P3-E7 PolarHBondContact O-N 2.92Å
4K89.4Confident91.8Very high109 Ų10963.6 Ų63.647%0.47432%0.323SS..Hα-helixtrans-66.1-41.6178.5-169.6176.2-178-176.50112.6E2 A6 E7 L8E2-K4 PolarHBondContact O-N 3.06Å; E2-K4 VanDerWaalsContact O-N 3.15Å; K4-A6 VanDerWaalsContact C-N 3.31Å; K4-E7 PolarHBondContact O-N 3.49Å; K4-L8 HydrophobicContact CG-CD1 4.33Å; K4-L8 WeakPolarHBondContact O-CG 3.4Å; K4-L8 PolarHBondContact O-N 3.3Å; K4-L8 VanDerWaalsContact O-N 3.14Å
5V93Very high92.2Very high0 Ų060.5 Ų60.50%031%0.308CS..Hα-helixtrans-64.4-40.8174.7178.50000110.4M1 E2 L8 K9 P25 L48 V171 L174M1-V5 HydrophobicContact CG-CB 3.95Å; M1-V5 HydrophobicContact CG-CG1 3.92Å; M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 3.93Å; E2-V5 HydrophobicContact CB-CB 4.48Å; E2-V5 HydrophobicContact CB-CG2 4.12Å; E2-V5 PolarHBondContact O-N 3.06Å; V5-L8 PolarHBondContact O-N 3.07Å; V5-K9 WeakPolarHBondContact O-CB 3.49Å; V5-K9 PolarHBondContact O-N 3.04Å; V5-P25 HydrophobicContact CG1-CB 4.1Å; V5-P25 HydrophobicContact CG1-CG 4.47Å; V5-L48 HydrophobicContact CG1-CD1 4.26Å; V5-L48 HydrophobicContact CG2-CD1 4.37Å; V5-L48 HydrophobicContact CG2-CD2 4.27Å; V5-V171 HydrophobicContact CG2-CB 4.01Å; V5-V171 HydrophobicContact CG2-CG1 3.41Å; V5-V171 VanDerWaalsContact CG2-CG1 3.41Å; V5-V171 HydrophobicContact CG2-CG2 4.49Å; V5-L174 HydrophobicContact CG1-CD1 4.01Å; V5-L174 HydrophobicContact CG2-CD1 4.29Å
6A95.3Very high92.6Very high32 Ų3256.8 Ų56.826%0.26429%0.289SS..Hα-helixtrans-60.8-45.9178.900000111.9M1 E2 P3 K4 K9 Q10M1-A6 HydrophobicContact CE-CB 3.55Å; M1-A6 HydrophobicContact CG-CB 4.21Å; M1-A6 HydrophobicContact SD-CB 4.27Å; E2-A6 PolarHBondContact O-N 3.15Å; P3-A6 WeakPolarHBondContact O-CB 3.39Å; P3-A6 PolarHBondContact O-N 3.47Å; K4-A6 VanDerWaalsContact C-N 3.31Å; A6-K9 PolarHBondContact O-N 3.26Å; A6-Q10 WeakPolarHBondContact O-CB 3.41Å; A6-Q10 PolarHBondContact O-N 3.49Å
7E96.2Very high93Very high108 Ų10856.2 Ų56.251%0.50529%0.291SS..Hα-helixtrans-63.3-48.5178.7-170.8-166.8152.600111.9P3 K4 K9 Q10 K11P3-E7 PolarHBondContact O-N 2.92Å; K4-E7 PolarHBondContact O-N 3.49Å; E7-K9 VanDerWaalsContact C-N 3.35Å; E7-K9 PolarHBondContact O-N 2.78Å; E7-Q10 PolarHBondContact O-N 3.25Å; E7-K11 PolarHBondContact O-N 3.15Å; E7-K11 WeakPolarHBondContact OE1-CE 3.22Å; E7-K11 IonicContact OE1-NZ 2.78Å; E7-K11 PolarHBondContact OE1-NZ 3.35Å; E7-K11 VanDerWaalsContact OE1-NZ 3.07Å
8L97.4Very high93.3Very high12 Ų1257.3 Ų57.36%0.06330%0.302CS..Hα-helixtrans-63.3-43.7179-67.8170.4000111.3K4 V5 Q10 K11 I12 L48 F50 L94 L97 L166 I169K4-L8 HydrophobicContact CG-CD1 4.33Å; K4-L8 WeakPolarHBondContact O-CG 3.4Å; K4-L8 PolarHBondContact O-N 3.3Å; K4-L8 VanDerWaalsContact O-N 3.14Å; V5-L8 PolarHBondContact O-N 3.07Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 2.7Å; L8-K11 PolarHBondContact O-N 2.58Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.86Å; L8-L48 HydrophobicContact CD1-CD2 3.88Å; L8-F50 HydrophobicContact CB-CE2 4.4Å; L8-F50 HydrophobicContact CB-CZ 4.24Å; L8-L94 HydrophobicContact CD2-CD1 4.42Å; L8-L94 HydrophobicContact CD2-CD2 3.93Å; L8-L97 HydrophobicContact CD2-CD1 3.51Å; L8-L166 HydrophobicContact CD1-CD2 4Å; L8-L166 HydrophobicContact CD2-CD2 4.44Å; L8-I169 HydrophobicContact CD1-CG2 4.1Å
9K98Very high93.6Very high38 Ų3856.9 Ų56.917%0.16530%0.298CS..Hα-helixtrans-57.6-47.3175.4-175.4175.5173.9-740110.8M1 V5 A6 E7 K11 I12 E13 P25 F50M1-K9 HydrophobicContact CE-CD 4.45Å; M1-K9 HydrophobicContact SD-CD 4.06Å; V5-K9 WeakPolarHBondContact O-CB 3.49Å; V5-K9 PolarHBondContact O-N 3.04Å; A6-K9 PolarHBondContact O-N 3.26Å; E7-K9 VanDerWaalsContact C-N 3.35Å; E7-K9 PolarHBondContact O-N 2.78Å; K9-K11 PolarHBondContact O-N 3.47Å; K9-I12 PolarHBondContact O-N 3.49Å; K9-E13 WeakPolarHBondContact CE-OE1 3.35Å; K9-E13 HydrophobicContact CG-CG 4.29Å; K9-E13 IonicContact NZ-OE1 2.7Å; K9-E13 PolarHBondContact NZ-OE1 3.11Å; K9-E13 IonicContact NZ-OE2 3.92Å; K9-E13 PolarHBondContact NZ-OE2 3.17Å; K9-E13 WeakPolarHBondContact O-CB 3.42Å; K9-E13 WeakPolarHBondContact O-CG 3.13Å; K9-E13 PolarHBondContact O-N 3.14Å; K9-P25 HydrophobicContact CD-CG 4.35Å; K9-F50 HydrophobicContact CB-CE1 3.72Å; K9-F50 HydrophobicContact CB-CZ 4.08Å; K9-F50 HydrophobicContact CG-CE1 3.99Å
10Q98Very high93.8Very high99 Ų9954.3 Ų54.346%0.46329%0.285SS..Hα-helixtrans-59.6-47.1179.5-171.364.555.500111.7A6 E7 L8 I12 E13 D14A6-Q10 WeakPolarHBondContact O-CB 3.41Å; A6-Q10 PolarHBondContact O-N 3.49Å; E7-Q10 PolarHBondContact O-N 3.25Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 2.7Å; Q10-I12 VanDerWaalsContact C-N 3.32Å; Q10-I12 PolarHBondContact O-N 3.44Å; Q10-E13 PolarHBondContact O-N 3.06Å; Q10-D14 PolarHBondContact NE2-OD1 3.21Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 2.81Å
11K97.8Very high94.1Very high66 Ų6652 Ų5229%0.28727%0.273SS..Hα-helixtrans-59.8-40.5177.6-72.9179.1177.7171.20112.6E7 L8 K9 T15 L94 E96E7-K11 PolarHBondContact O-N 3.15Å; E7-K11 WeakPolarHBondContact OE1-CE 3.22Å; E7-K11 IonicContact OE1-NZ 2.78Å; E7-K11 PolarHBondContact OE1-NZ 3.35Å; E7-K11 VanDerWaalsContact OE1-NZ 3.07Å; L8-K11 PolarHBondContact O-N 2.58Å; K9-K11 PolarHBondContact O-N 3.47Å; K11-T15 WeakPolarHBondContact O-CB 3.43Å; K11-T15 PolarHBondContact O-N 3.34Å; K11-T15 PolarHBondContact O-OG1 3.36Å; K11-L94 HydrophobicContact CB-CD2 4.21Å; K11-L94 HydrophobicContact CD-CD2 3.47Å; K11-L94 VanDerWaalsContact CD-CD2 3.47Å; K11-L94 HydrophobicContact CG-CD2 4.49Å; K11-E96 IonicContact NZ-OE1 3.07Å
12I98.4Very high95.8Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-69.8-41.4177.7-60.3168.6000110.5L8 K9 Q10 T15 L16 V23 F50 V90 L94L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.86Å; K9-I12 PolarHBondContact O-N 3.49Å; Q10-I12 VanDerWaalsContact C-N 3.32Å; Q10-I12 PolarHBondContact O-N 3.44Å; I12-T15 WeakPolarHBondContact O-CB 3.42Å; I12-T15 PolarHBondContact O-N 2.84Å; I12-L16 HydrophobicContact CG2-CD1 3.79Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CB 3.43Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.25Å; I12-V23 HydrophobicContact CG2-CG1 3.88Å; I12-V23 HydrophobicContact CG2-CG2 4.02Å; I12-F50 HydrophobicContact CD1-CD2 3.42Å; I12-F50 VanDerWaalsContact CD1-CD2 3.42Å; I12-F50 HydrophobicContact CD1-CE2 3.47Å; I12-F50 VanDerWaalsContact CD1-CE2 3.47Å; I12-F50 HydrophobicContact CD1-CG 3.97Å; I12-F50 HydrophobicContact CD1-CZ 4.06Å; I12-V90 HydrophobicContact CD1-CG1 4.48Å; I12-V90 HydrophobicContact CG1-CG1 3.96Å; I12-V90 HydrophobicContact CG2-CG1 4.25Å; I12-V90 HydrophobicContact CG2-CG2 4.25Å; I12-L94 HydrophobicContact CD1-CD1 4.36Å; I12-L94 HydrophobicContact CG1-CD1 3.96Å
13E98.6Very high96.8Very high42 Ų4245.2 Ų45.220%0.19624%0.24CC..Hα-helixtrans-63.9-44.7175.8-74.7-177.4138.200112.1K9 Q10 T15 L16 C17 P18 V23K9-E13 WeakPolarHBondContact CE-OE1 3.35Å; K9-E13 HydrophobicContact CG-CG 4.29Å; K9-E13 IonicContact NZ-OE1 2.7Å; K9-E13 PolarHBondContact NZ-OE1 3.11Å; K9-E13 IonicContact NZ-OE2 3.92Å; K9-E13 PolarHBondContact NZ-OE2 3.17Å; K9-E13 WeakPolarHBondContact O-CB 3.42Å; K9-E13 WeakPolarHBondContact O-CG 3.13Å; K9-E13 PolarHBondContact O-N 3.14Å; Q10-E13 PolarHBondContact O-N 3.06Å; E13-T15 PolarHBondContact O-N 3.38Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-L16 VanDerWaalsContact O-N 3.16Å; E13-C17 WeakPolarHBondContact O-CB 3.25Å; E13-C17 PolarHBondContact O-N 3.49Å; E13-P18 WeakPolarHBondContact O-CD 3.18Å; E13-V23 HydrophobicContact CG-CB 4.21Å; E13-V23 HydrophobicContact CG-CG2 4.38Å
14D98.4Very high97.5Very high100 Ų10042.1 Ų42.154%0.53521%0.214SC..Hα-helixtrans-59.1-30.8175.8-67.1-19.3000111.6Q10Q10-D14 PolarHBondContact NE2-OD1 3.21Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 2.81Å
15T98.4Very high97.9Very high17 Ų1738.2 Ų38.210%0.10420%0.199CC..Hα-helixtrans-79.9-37.2178.1-58.50000112.9K11 I12 E13 F19 R89 V90 S93K11-T15 WeakPolarHBondContact O-CB 3.43Å; K11-T15 PolarHBondContact O-N 3.34Å; K11-T15 PolarHBondContact O-OG1 3.36Å; I12-T15 WeakPolarHBondContact O-CB 3.42Å; I12-T15 PolarHBondContact O-N 2.84Å; E13-T15 PolarHBondContact O-N 3.38Å; T15-F19 VanDerWaalsContact O-CD2 3.3Å; T15-F19 WeakPolarHBondContact O-CD2 3.48Å; T15-F19 WeakPolarHBondContact O-CE2 3.49Å; T15-R89 HydrophobicContact CG2-CB 3.93Å; T15-V90 HydrophobicContact CG2-CG2 4.31Å; T15-S93 WeakPolarHBondContact OG1-CB 3.46Å
16L98.7Very high98.2Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-108.7-41.2-168.3-67.2-174.9000114.4I12 E13 P18 F19 F21 V23 V52 H86 V90I12-L16 HydrophobicContact CG2-CD1 3.79Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CB 3.43Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.25Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-L16 VanDerWaalsContact O-N 3.16Å; L16-P18 VanDerWaalsContact C-CD 3.43Å; L16-F19 WeakPolarHBondContact O-CA 3.21Å; L16-F19 WeakPolarHBondContact O-CB 3.28Å; L16-F19 PolarHBondContact O-N 2.83Å; L16-F21 HydrophobicContact CB-CB 3.98Å; L16-F21 HydrophobicContact CB-CD2 4.43Å; L16-F21 HydrophobicContact CB-CG 4.48Å; L16-F21 WeakPolarHBondContact O-CD2 3.35Å; L16-V23 HydrophobicContact CB-CG2 4.39Å; L16-V23 HydrophobicContact CD1-CG2 3.97Å; L16-V52 HydrophobicContact CD1-CG1 3.94Å; L16-V52 HydrophobicContact CD1-CG2 4.01Å; L16-H86 HydrophobicContact CD2-CB 3.98Å; L16-H86 WeakPolarHBondContact CD2-O 3.42Å; L16-V90 HydrophobicContact CD1-CG2 3.75Å; L16-V90 HydrophobicContact CD2-CG2 3.8Å; L16-V90 HydrophobicContact CG-CG2 3.75Å
17C98.6Very high98.3Very high47 Ų4737.4 Ų37.432%0.31819%0.19SC..G310 helixtrans-59.7-35.1-174.1-68.30000114.8E13 F19 G20 F21E13-C17 WeakPolarHBondContact O-CB 3.25Å; E13-C17 PolarHBondContact O-N 3.49Å; C17-F19 PolarHBondContact O-N 3.2Å; C17-G20 PolarHBondContact O-N 2.92Å; C17-F21 WeakPolarHBondContact CA-O 3.46Å; C17-F21 PolarHBondContact SG-O 3.16Å
18P98.6Very high98.5Very high77 Ų7732.3 Ų32.350%0.517%0.166SC..G310 helixtrans-60.5-13.4173.3-25.435.8000114.7E13 L16 Q61E13-P18 WeakPolarHBondContact O-CD 3.18Å; L16-P18 VanDerWaalsContact C-CD 3.43Å; P18-Q61 PolarHBondContact O-OE1 3.23Å; P18-Q61 VanDerWaalsContact O-OE1 3.09Å
19F98.5Very high98.5Very high50 Ų5032.5 Ų32.522%0.21917%0.17CC..G310 helixtrans-109.120.3-179.6-55.8-78.1000111.9T15 L16 C17 F21 M58 A62 H86T15-F19 VanDerWaalsContact O-CD2 3.3Å; T15-F19 WeakPolarHBondContact O-CD2 3.48Å; T15-F19 WeakPolarHBondContact O-CE2 3.49Å; L16-F19 WeakPolarHBondContact O-CA 3.21Å; L16-F19 WeakPolarHBondContact O-CB 3.28Å; L16-F19 PolarHBondContact O-N 2.83Å; C17-F19 PolarHBondContact O-N 3.2Å; F19-F21 HydrophobicContact CB-CD2 3.86Å; F19-F21 HydrophobicContact CB-CE2 3.82Å; F19-F21 WeakPolarHBondContact O-CD2 3.49Å; F19-F21 WeakPolarHBondContact O-CE2 3.46Å; F19-M58 WeakPolarHBondContact O-CA 3.28Å; F19-M58 WeakPolarHBondContact O-CG 3.25Å; F19-A62 HydrophobicContact CB-CB 3.99Å; F19-H86 AromaticContact CD1-CE1 3.35Å; F19-H86 WeakPolarHBondContact CD1-CE1 3.39Å; F19-H86 AromaticContact CD2-CE1 3.81Å; F19-H86 AromaticContact CD2-ND1 3.76Å; F19-H86 AromaticContact CE1-CE1 3.79Å; F19-H86 AromaticContact CG-CE1 3.37Å; F19-H86 WeakPolarHBondContact CG-CE1 3.41Å; F19-H86 AromaticContact CG-ND1 3.7Å
20G98.5Very high98.6Very high4 Ų432.5 Ų32.54%0.04117%0.169CC..THydrogen-bonded Turntrans77.724.6174.100000115.1C17 T55C17-G20 PolarHBondContact O-N 2.92Å; G20-T55 WeakPolarHBondContact O-CB 3.28Å; G20-T55 PolarHBondContact O-N 2.92Å; G20-T55 PolarHBondContact O-OG1 2.77Å
21F98.8Very high98.6Very high5 Ų527.8 Ų27.82%0.02215%0.147CC..EExtended strand (participates in β ladder)trans-102.9153.6174.4-60.9-88.3000112.2L16 C17 F19 V52 L53 M58 A62 V83 H86 R161L16-F21 HydrophobicContact CB-CB 3.98Å; L16-F21 HydrophobicContact CB-CD2 4.43Å; L16-F21 HydrophobicContact CB-CG 4.48Å; L16-F21 WeakPolarHBondContact O-CD2 3.35Å; C17-F21 WeakPolarHBondContact CA-O 3.46Å; C17-F21 PolarHBondContact SG-O 3.16Å; F19-F21 HydrophobicContact CB-CD2 3.86Å; F19-F21 HydrophobicContact CB-CE2 3.82Å; F19-F21 WeakPolarHBondContact O-CD2 3.49Å; F19-F21 WeakPolarHBondContact O-CE2 3.46Å; F21-V52 HydrophobicContact CB-CG1 4.29Å; F21-V52 HydrophobicContact CD1-CG1 3.91Å; F21-V52 HydrophobicContact CG-CG1 4.4Å; F21-L53 CarbonylContact C-O 3.52Å; F21-L53 WeakPolarHBondContact CA-O 3.38Å; F21-L53 WeakPolarHBondContact CB-O 3.48Å; F21-M58 HydrophobicContact CD1-CG 4.45Å; F21-M58 HydrophobicContact CD2-CG 4.43Å; F21-M58 HydrophobicContact CE1-CG 3.86Å; F21-M58 HydrophobicContact CE2-CG 3.83Å; F21-M58 HydrophobicContact CZ-CG 3.51Å; F21-M58 HydrophobicContact CZ-SD 4.3Å; F21-A62 HydrophobicContact CE2-CB 4.19Å; F21-V83 HydrophobicContact CE1-CG2 4.3Å; F21-V83 HydrophobicContact CZ-CG2 4.41Å; F21-H86 HydrophobicContact CE2-CB 4.07Å; F21-H86 HydrophobicContact CZ-CB 4.3Å; F21-R161 HydrophobicContact CD1-CG 4.43Å; F21-R161 HydrophobicContact CE1-CG 4.11Å
22E98.9Very high98.6Very high26 Ų2625.7 Ų25.712%0.12114%0.139CC..EExtended strand (participates in β ladder)trans-121.1150.1167.9-67.7178.6149.400110.1Y24 L53 T55 H151 R153E22-Y24 HydrophobicContact CB-CD2 4.5Å; E22-Y24 HydrophobicContact CB-CE2 3.56Å; E22-Y24 PolarHBondContact OE2-OH 3.04Å; E22-L53 HydrophobicContact CB-CD1 3.85Å; E22-L53 HydrophobicContact CB-CG 4.11Å; E22-L53 HydrophobicContact CG-CD1 4.38Å; E22-L53 PolarHBondContact N-O 3.06Å; E22-L53 PolarHBondContact O-N 3.18Å; E22-T55 HydrophobicContact CG-CG2 3.77Å; E22-H151 IonicContact OE2-CE1 3.27Å; E22-H151 PolarHBondContact OE2-CE1 3.27Å; E22-H151 IonicContact OE2-NE2 2.75Å; E22-H151 PolarHBondContact OE2-NE2 3.11Å; E22-R153 IonicContact OE1-CZ 2.58Å; E22-R153 IonicContact OE1-NH1 3.87Å; E22-R153 PolarHBondContact OE1-NH1 2.97Å
23V98.8Very high98.6Very high4 Ų432.7 Ų32.72%0.02417%0.172CC..EExtended strand (participates in β ladder)trans-132.8128-169.4-172.10000110.8I12 E13 L16 F50 L51I12-V23 HydrophobicContact CG2-CG1 3.88Å; I12-V23 HydrophobicContact CG2-CG2 4.02Å; E13-V23 HydrophobicContact CG-CB 4.21Å; E13-V23 HydrophobicContact CG-CG2 4.38Å; L16-V23 HydrophobicContact CB-CG2 4.39Å; L16-V23 HydrophobicContact CD1-CG2 3.97Å; V23-F50 HydrophobicContact CG1-CB 3.7Å; V23-F50 HydrophobicContact CG1-CD1 3.67Å; V23-F50 HydrophobicContact CG1-CG 3.95Å; V23-L51 CarbonylContact C-O 3.54Å; V23-L51 VanDerWaalsContact CA-O 3.32Å; V23-L51 WeakPolarHBondContact CA-O 3.34Å
24Y98.8Very high98.6Very high49 Ų4936 Ų3619%0.19219%0.19CC..EExtended strand (participates in β ladder)trans-130.2120.6-173.4-61.3-99.6000111.9E22 F50 L51 L53 A126 H151E22-Y24 HydrophobicContact CB-CD2 4.5Å; E22-Y24 HydrophobicContact CB-CE2 3.56Å; E22-Y24 PolarHBondContact OE2-OH 3.04Å; Y24-F50 CarbonylContact O-C 3.4Å; Y24-F50 WeakPolarHBondContact O-CA 3.32Å; Y24-L51 HydrophobicContact CD2-CD2 4.25Å; Y24-L51 PolarHBondContact N-O 3.05Å; Y24-L51 PolarHBondContact O-N 2.98Å; Y24-L53 HydrophobicContact CD2-CD2 4.27Å; Y24-L53 HydrophobicContact CE2-CD2 3.73Å; Y24-L53 HydrophobicContact CE2-CG 4.16Å; Y24-A126 HydrophobicContact CD1-CB 3.79Å; Y24-A126 HydrophobicContact CD2-CB 3.52Å; Y24-A126 HydrophobicContact CE1-CB 4Å; Y24-A126 HydrophobicContact CE2-CB 3.75Å; Y24-A126 HydrophobicContact CG-CB 3.55Å; Y24-H151 PolarHBondContact OH-NE2 3.42Å
25P98.6Very high98.6Very high26 Ų2632.5 Ų32.517%0.16917%0.171CC..EExtended strand (participates in β ladder)trans-74.4145.7179.430.1-33.8000112V5 K9 L48 A49 F50 L174V5-P25 HydrophobicContact CG1-CB 4.1Å; V5-P25 HydrophobicContact CG1-CG 4.47Å; K9-P25 HydrophobicContact CD-CG 4.35Å; P25-L48 HydrophobicContact CB-CD1 4.15Å; P25-A49 CarbonylContact C-O 3.5Å; P25-A49 WeakPolarHBondContact CA-O 3.33Å; P25-F50 HydrophobicContact CB-CD1 3.89Å; P25-F50 HydrophobicContact CB-CE1 3.67Å; P25-F50 HydrophobicContact CB-CZ 4.5Å; P25-F50 HydrophobicContact CG-CE1 4.42Å; P25-L174 HydrophobicContact CB-CD2 4.27Å
26F98.7Very high98.5Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-151.8162.1169.870.5-78.9000111.6W30 A49 L51 A120 V123 A124 V163F26-W30 HydrophobicContact CB-CE3 3.79Å; F26-W30 HydrophobicContact CB-CZ3 4Å; F26-A49 HydrophobicContact CD1-CB 3.82Å; F26-A49 HydrophobicContact CD2-CB 4.15Å; F26-A49 HydrophobicContact CE1-CB 3.38Å; F26-A49 HydrophobicContact CE2-CB 3.72Å; F26-A49 HydrophobicContact CG-CB 4.18Å; F26-A49 HydrophobicContact CZ-CB 3.32Å; F26-A49 PolarHBondContact N-O 3.39Å; F26-A49 PolarHBondContact O-N 2.85Å; F26-L51 HydrophobicContact CD1-CB 4.5Å; F26-L51 HydrophobicContact CE1-CB 4.35Å; F26-A120 HydrophobicContact CZ-CB 4.31Å; F26-V123 HydrophobicContact CB-CG2 4.45Å; F26-V123 HydrophobicContact CD2-CG2 3.84Å; F26-V123 HydrophobicContact CE2-CG2 4.4Å; F26-V123 HydrophobicContact CG-CG2 4.28Å; F26-A124 HydrophobicContact CB-CB 3.9Å; F26-A124 HydrophobicContact CD1-CB 3.9Å; F26-A124 HydrophobicContact CG-CB 4.17Å; F26-V163 HydrophobicContact CE1-CG1 4.19Å; F26-V163 HydrophobicContact CZ-CG1 4.11Å
27Q98.6Very high98.5Very high16 Ų1640.2 Ų40.28%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-88.7140.4168.8-63.4-173.130.700110.6A29 W30 V171 P172 L174Q27-A29 HydrophobicContact CB-CB 4.48Å; Q27-A29 PolarHBondContact O-N 2.85Å; Q27-W30 HydrophobicContact CB-CD2 3.89Å; Q27-W30 HydrophobicContact CB-CE3 4.44Å; Q27-W30 HydrophobicContact CB-CG 4.15Å; Q27-W30 HydrophobicContact CB-CZ2 4.13Å; Q27-W30 HydrophobicContact CG-CD2 4.35Å; Q27-W30 HydrophobicContact CG-CH2 4.16Å; Q27-W30 HydrophobicContact CG-CZ2 3.66Å; Q27-W30 PolarHBondContact O-N 3.33Å; Q27-W30 VanDerWaalsContact O-N 3.1Å; Q27-V171 HydrophobicContact CG-CG2 4.23Å; Q27-V171 PolarHBondContact NE2-O 3.39Å; Q27-P172 PolarHBondContact NE2-O 2.96Å; Q27-L174 HydrophobicContact CG-CB 4.25Å; Q27-L174 HydrophobicContact CG-CD2 4.16Å; Q27-L174 PolarHBondContact NE2-O 3.49Å
28V98.8Very high98.4Very high0 Ų041.2 Ų41.20%023%0.233CC..Hα-helixtrans-54.9-34.4174.2168.80000112.2W30 Y31 N32 L41 L43 G45 T47 A49 L165V28-W30 VanDerWaalsContact C-N 3.33Å; V28-W30 PolarHBondContact O-N 3.02Å; V28-Y31 WeakPolarHBondContact O-CB 3.5Å; V28-Y31 PolarHBondContact O-N 3.29Å; V28-N32 PolarHBondContact O-N 2.93Å; V28-L41 HydrophobicContact CG1-CB 3.88Å; V28-L41 HydrophobicContact CG1-CD1 4.33Å; V28-L41 HydrophobicContact CG2-CD1 4.3Å; V28-L43 HydrophobicContact CG1-CB 4.41Å; V28-L43 HydrophobicContact CG2-CD1 4.49Å; V28-G45 PolarHBondContact N-O 3.07Å; V28-T47 HydrophobicContact CG2-CG2 4.24Å; V28-T47 PolarHBondContact N-O 2.99Å; V28-A49 HydrophobicContact CG2-CB 4.34Å; V28-L165 HydrophobicContact CG2-CD2 4.22Å
29A98.7Very high98.4Very high17 Ų1740 Ų4014%0.1422%0.22CC..Hα-helixtrans-51.6-49.1175.200000112.2Q27 Y31 N32 E33 G45Q27-A29 HydrophobicContact CB-CB 4.48Å; Q27-A29 PolarHBondContact O-N 2.85Å; A29-Y31 PolarHBondContact O-N 3.06Å; A29-N32 PolarHBondContact O-N 3.42Å; A29-N32 VanDerWaalsContact O-N 3.14Å; A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 WeakPolarHBondContact O-CG 3.4Å; A29-E33 PolarHBondContact O-N 3.42Å; A29-G45 WeakPolarHBondContact CB-O 3.4Å; A29-G45 PolarHBondContact N-O 3.02Å
30W98.8Very high98.4Very high38 Ų3840.9 Ų40.914%0.14423%0.225CC..Hα-helixtrans-62.5-34.4-176.6-51.4-19.9000112.1F26 Q27 V28 V123 L174 P176F26-W30 HydrophobicContact CB-CE3 3.79Å; F26-W30 HydrophobicContact CB-CZ3 4Å; Q27-W30 HydrophobicContact CB-CD2 3.89Å; Q27-W30 HydrophobicContact CB-CE3 4.44Å; Q27-W30 HydrophobicContact CB-CG 4.15Å; Q27-W30 HydrophobicContact CB-CZ2 4.13Å; Q27-W30 HydrophobicContact CG-CD2 4.35Å; Q27-W30 HydrophobicContact CG-CH2 4.16Å; Q27-W30 HydrophobicContact CG-CZ2 3.66Å; Q27-W30 PolarHBondContact O-N 3.33Å; Q27-W30 VanDerWaalsContact O-N 3.1Å; V28-W30 VanDerWaalsContact C-N 3.33Å; V28-W30 PolarHBondContact O-N 3.02Å; W30-V123 HydrophobicContact CB-CB 3.96Å; W30-V123 HydrophobicContact CB-CG1 4.37Å; W30-V123 HydrophobicContact CB-CG2 4.37Å; W30-V123 WeakPolarHBondContact O-CG1 3.44Å; W30-L174 HydrophobicContact CH2-CB 4.35Å; W30-L174 HydrophobicContact CH2-CD2 3.75Å; W30-L174 HydrophobicContact CH2-CG 3.84Å; W30-L174 WeakPolarHBondContact CH2-O 3.44Å; W30-L174 WeakPolarHBondContact CZ2-O 3.48Å; W30-L174 HydrophobicContact CZ3-CD2 4.18Å; W30-P176 HydrophobicContact CD2-CB 4.44Å; W30-P176 HydrophobicContact CE3-CB 4.5Å; W30-P176 HydrophobicContact CH2-CB 3.91Å; W30-P176 HydrophobicContact CZ2-CB 3.8Å; W30-P176 HydrophobicContact CZ2-CG 4.39Å; W30-P176 HydrophobicContact CZ3-CB 4.25Å
31Y98.8Very high98.4Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-70.9-48.5174.6175.6-96000111.7V28 A29 E33 L34 L35 L41 I115 L116 T119 A120V28-Y31 WeakPolarHBondContact O-CB 3.5Å; V28-Y31 PolarHBondContact O-N 3.29Å; A29-Y31 PolarHBondContact O-N 3.06Å; Y31-E33 PolarHBondContact O-N 3.23Å; Y31-L34 PolarHBondContact O-N 3.23Å; Y31-L35 HydrophobicContact CD1-CD1 3.93Å; Y31-L35 HydrophobicContact CD2-CD1 4.04Å; Y31-L35 HydrophobicContact CE1-CD1 3.39Å; Y31-L35 HydrophobicContact CE2-CD1 3.51Å; Y31-L35 HydrophobicContact CG-CD1 4.21Å; Y31-L35 WeakPolarHBondContact O-CD1 3.5Å; Y31-L35 WeakPolarHBondContact O-CG 3.47Å; Y31-L35 VanDerWaalsContact OH-CD1 3.27Å; Y31-L35 WeakPolarHBondContact OH-CD1 3.46Å; Y31-L41 HydrophobicContact CD1-CD1 3.92Å; Y31-L41 HydrophobicContact CD1-CG 3.96Å; Y31-L41 HydrophobicContact CE1-CD1 4.16Å; Y31-L41 HydrophobicContact CE1-CG 3.87Å; Y31-I115 HydrophobicContact CD2-CD1 4.47Å; Y31-I115 HydrophobicContact CE1-CD1 4Å; Y31-I115 HydrophobicContact CE2-CD1 3.79Å; Y31-L116 HydrophobicContact CE2-CB 4.24Å; Y31-L116 WeakPolarHBondContact OH-CB 3.4Å; Y31-L116 PolarHBondContact OH-N 3.37Å; Y31-T119 HydrophobicContact CD2-CG2 3.96Å; Y31-T119 HydrophobicContact CE2-CG2 4.1Å; Y31-A120 HydrophobicContact CD2-CB 4.06Å; Y31-A120 HydrophobicContact CE2-CB 4.22Å
32N98.7Very high98.3Very high22 Ų2249.3 Ų49.312%0.11827%0.268CS..Hα-helixtrans-67-35.5-177.4-75.4-6.5000112.6V28 A29 L34 L35 H40 L41V28-N32 PolarHBondContact O-N 2.93Å; A29-N32 PolarHBondContact O-N 3.42Å; A29-N32 VanDerWaalsContact O-N 3.14Å; N32-L34 PolarHBondContact O-N 3.31Å; N32-L35 PolarHBondContact O-N 3.49Å; N32-L35 VanDerWaalsContact O-N 3.12Å; N32-H40 PolarHBondContact O-CD2 3.46Å; N32-H40 PolarHBondContact O-NE2 2.72Å; N32-H40 VanDerWaalsContact OD1-CA 3.31Å; N32-H40 WeakPolarHBondContact OD1-CA 3.45Å; N32-L41 PolarHBondContact ND2-O 3.27Å; N32-L41 PolarHBondContact OD1-N 2.94Å
33E98.4Very high98.3Very high147 Ų14749.8 Ų49.869%0.68727%0.271SS*.Hα-helixtrans-58.6-28.9179.9-80.1168-165.900113.5A29 Y31A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 WeakPolarHBondContact O-CG 3.4Å; A29-E33 PolarHBondContact O-N 3.42Å; Y31-E33 PolarHBondContact O-N 3.23Å
34L98Very high98.3Very high111 Ų11152.8 Ų52.858%0.58129%0.291SS*.THydrogen-bonded Turntrans-91.3-2.6-178.2-60.2-176.1000113.7Y31 N32 T119 V123Y31-L34 PolarHBondContact O-N 3.23Å; N32-L34 PolarHBondContact O-N 3.31Å; L34-T119 HydrophobicContact CB-CG2 4.31Å; L34-T119 HydrophobicContact CD1-CG2 4.27Å; L34-V123 HydrophobicContact CD1-CG1 3.52Å
35L97.8Very high98.2Very high26 Ų2651.7 Ų51.714%0.13629%0.294CS..SBendtrans-126.2151-165.7-65.4179.4000112.5Y31 N32 F39 H40 L116 T119Y31-L35 HydrophobicContact CD1-CD1 3.93Å; Y31-L35 HydrophobicContact CD2-CD1 4.04Å; Y31-L35 HydrophobicContact CE1-CD1 3.39Å; Y31-L35 HydrophobicContact CE2-CD1 3.51Å; Y31-L35 HydrophobicContact CG-CD1 4.21Å; Y31-L35 WeakPolarHBondContact O-CD1 3.5Å; Y31-L35 WeakPolarHBondContact O-CG 3.47Å; Y31-L35 VanDerWaalsContact OH-CD1 3.27Å; Y31-L35 WeakPolarHBondContact OH-CD1 3.46Å; N32-L35 PolarHBondContact O-N 3.49Å; N32-L35 VanDerWaalsContact O-N 3.12Å; L35-F39 HydrophobicContact CB-CB 4.16Å; L35-F39 HydrophobicContact CD1-CB 4.05Å; L35-H40 PolarHBondContact O-NE2 3.21Å; L35-L116 HydrophobicContact CD1-CD1 4.06Å; L35-L116 HydrophobicContact CD2-CD1 3.58Å; L35-L116 HydrophobicContact CG-CD1 4.47Å; L35-T119 HydrophobicContact CD1-CG2 4.2Å; L35-T119 HydrophobicContact CD2-CG2 4.19Å; L35-T119 HydrophobicContact CG-CG2 4.21Å
36P97.4Very high98.2Very high73 Ų7352.2 Ų52.247%0.47430%0.298SS..  trans-68.6154.2172.630.3-34.7000110.2A38 F39 H40P36-A38 PolarHBondContact O-N 3.32Å; P36-F39 HydrophobicContact CG-CD2 3.8Å; P36-F39 HydrophobicContact CG-CE2 4.4Å; P36-F39 PolarHBondContact O-N 3.49Å; P36-H40 PolarHBondContact O-CD2 3.11Å
37P97.6Very high98.2Very high107 Ų10752.2 Ų52.270%0.69530%0.298SS*.G310 helixtrans-51.5-31.5-172-30.335.4000114.9F39 H40P37-F39 PolarHBondContact O-N 2.97Å; P37-H40 WeakPolarHBondContact O-CB 3.4Å; P37-H40 PolarHBondContact O-N 3.22Å; P37-H40 VanDerWaalsContact O-N 3.11Å
38A97.3Very high98.2Very high67 Ų6751.5 Ų51.555%0.55429%0.294SS*.G310 helixtrans-60.3-31.6-179.600000111.7P36 R112P36-A38 PolarHBondContact O-N 3.32Å; A38-R112 PolarHBondContact O-NH1 2.83Å; A38-R112 PolarHBondContact O-NH2 3.18Å; A38-R112 VanDerWaalsContact O-NH2 3.09Å
39F97.8Very high98.2Very high53 Ų5351.5 Ų51.523%0.23229%0.294CS..G310 helixtrans-94.83.5-179.6-74.9-70.2000112.5L35 P36 P37 L41 R112 L116L35-F39 HydrophobicContact CB-CB 4.16Å; L35-F39 HydrophobicContact CD1-CB 4.05Å; P36-F39 HydrophobicContact CG-CD2 3.8Å; P36-F39 HydrophobicContact CG-CE2 4.4Å; P36-F39 PolarHBondContact O-N 3.49Å; P37-F39 PolarHBondContact O-N 2.97Å; F39-L41 PolarHBondContact O-N 3.43Å; F39-R112 VanDerWaalsContact CD1-NE 3.3Å; F39-R112 HydrophobicContact CE1-CG 3.69Å; F39-R112 HydrophobicContact CZ-CG 4.14Å; F39-L116 HydrophobicContact CB-CD1 4.33Å; F39-L116 HydrophobicContact CD1-CD1 3.77Å; F39-L116 HydrophobicContact CD1-CD2 4.05Å; F39-L116 HydrophobicContact CD1-CG 3.71Å; F39-L116 HydrophobicContact CD2-CD1 3.85Å; F39-L116 HydrophobicContact CE1-CD1 3.98Å; F39-L116 HydrophobicContact CE1-CD2 3.66Å; F39-L116 HydrophobicContact CE1-CG 3.87Å; F39-L116 HydrophobicContact CE2-CD1 4.13Å; F39-L116 HydrophobicContact CG-CD1 3.72Å; F39-L116 HydrophobicContact CG-CG 4.16Å; F39-L116 HydrophobicContact CZ-CD1 4.19Å; F39-L116 HydrophobicContact CZ-CD2 4.16Å; F39-L116 HydrophobicContact CZ-CG 4.49Å
40H98.6Very high98.2Very high67 Ų6750.7 Ų50.731%0.3129%0.288SS..  trans-66.6136.4-178-70.6-176000111.2N32 L35 P36 P37N32-H40 PolarHBondContact O-CD2 3.46Å; N32-H40 PolarHBondContact O-NE2 2.72Å; N32-H40 VanDerWaalsContact OD1-CA 3.31Å; N32-H40 WeakPolarHBondContact OD1-CA 3.45Å; L35-H40 PolarHBondContact O-NE2 3.21Å; P36-H40 PolarHBondContact O-CD2 3.11Å; P37-H40 WeakPolarHBondContact O-CB 3.4Å; P37-H40 PolarHBondContact O-N 3.22Å; P37-H40 VanDerWaalsContact O-N 3.11Å
41L98.2Very high98.2Very high17 Ų1748.9 Ų48.99%0.08928%0.281CS..  trans-74.2125.5164.3-60.2175.8000107.8V28 Y31 N32 F39 L43 I102 I115 L165V28-L41 HydrophobicContact CG1-CB 3.88Å; V28-L41 HydrophobicContact CG1-CD1 4.33Å; V28-L41 HydrophobicContact CG2-CD1 4.3Å; Y31-L41 HydrophobicContact CD1-CD1 3.92Å; Y31-L41 HydrophobicContact CD1-CG 3.96Å; Y31-L41 HydrophobicContact CE1-CD1 4.16Å; Y31-L41 HydrophobicContact CE1-CG 3.87Å; N32-L41 PolarHBondContact ND2-O 3.27Å; N32-L41 PolarHBondContact OD1-N 2.94Å; F39-L41 PolarHBondContact O-N 3.43Å; L41-L43 PolarHBondContact O-N 2.75Å; L41-I102 HydrophobicContact CD2-CD1 4.19Å; L41-I115 HydrophobicContact CD1-CD1 4.21Å; L41-I115 HydrophobicContact CD2-CD1 4.25Å; L41-L165 HydrophobicContact CD1-CD1 4.49Å; L41-L165 HydrophobicContact CD1-CD2 3.92Å
42L97.3Very high98.2Very high170 Ų17048.9 Ų48.989%0.8928%0.281SS*.SBendtrans-80.654.8-175.7-58.6180000111.7
43L98.1Very high98.2Very high36 Ų3647.8 Ų47.819%0.18828%0.275CS..SBendtrans-127.9156.1178.4-66.9169.9000109.6V28 L41 T47 L165 P167V28-L43 HydrophobicContact CG1-CB 4.41Å; V28-L43 HydrophobicContact CG2-CD1 4.49Å; L41-L43 PolarHBondContact O-N 2.75Å; L43-T47 HydrophobicContact CB-CG2 4.36Å; L43-T47 HydrophobicContact CD1-CG2 4.17Å; L43-L165 HydrophobicContact CD1-CB 4.19Å; L43-L165 HydrophobicContact CD1-CD1 4.07Å; L43-L165 HydrophobicContact CD1-CD2 4.4Å; L43-L165 HydrophobicContact CD1-CG 4.46Å; L43-P167 HydrophobicContact CD1-CG 4.45Å; L43-P167 HydrophobicContact CD2-CB 4.12Å; L43-P167 HydrophobicContact CD2-CG 3.96Å
44P98.4Very high98.3Very high67 Ų6740.8 Ų40.844%0.43524%0.242SC..  trans-52.4143172-26.134.3000111.8T47P44-T47 WeakPolarHBondContact CD-OG1 3.35Å; P44-T47 WeakPolarHBondContact O-CB 3.3Å; P44-T47 PolarHBondContact O-N 3.09Å; P44-T47 PolarHBondContact O-OG1 3.23Å
45G98.3Very high98.3Very high25 Ų2536 Ų3626%0.25822%0.218SC..THydrogen-bonded Turntrans-52.8-48.1-177.900000114V28 A29 T47V28-G45 PolarHBondContact N-O 3.07Å; A29-G45 WeakPolarHBondContact CB-O 3.4Å; A29-G45 PolarHBondContact N-O 3.02Å; G45-T47 PolarHBondContact O-N 3.06Å
46P98.3Very high98.3Very high38 Ų3834.9 Ų34.925%0.24721%0.212CC..THydrogen-bonded Turntrans-68.9-0178.6-23.135.5000115.5L48 E170 V171 P172P46-L48 PolarHBondContact O-N 2.96Å; P46-E170 HydrophobicContact CB-CB 3.98Å; P46-E170 HydrophobicContact CB-CG 4.21Å; P46-E170 CarbonylContact O-C 3.51Å; P46-E170 WeakPolarHBondContact O-CA 3.29Å; P46-V171 PolarHBondContact O-N 3.32Å; P46-P172 HydrophobicContact CB-CB 4.23Å; P46-P172 HydrophobicContact CG-CB 4.43Å
47T98.6Very high98.4Very high0 Ų032.1 Ų32.10%020%0.195CC..EExtended strand (participates in β ladder)trans-58.6130.4-179.1-57.30000110.7V28 L43 P44 G45 I169V28-T47 HydrophobicContact CG2-CG2 4.24Å; V28-T47 PolarHBondContact N-O 2.99Å; L43-T47 HydrophobicContact CB-CG2 4.36Å; L43-T47 HydrophobicContact CD1-CG2 4.17Å; P44-T47 WeakPolarHBondContact CD-OG1 3.35Å; P44-T47 WeakPolarHBondContact O-CB 3.3Å; P44-T47 PolarHBondContact O-N 3.09Å; P44-T47 PolarHBondContact O-OG1 3.23Å; G45-T47 PolarHBondContact O-N 3.06Å; T47-I169 WeakPolarHBondContact CA-O 3.27Å
48L98.6Very high98.4Very high0 Ų027 Ų270%016%0.162CC..EExtended strand (participates in β ladder)trans-71.3131.6176.5178.660.5000110.9V5 L8 P25 P46 F50 L166 I169 V171 L174V5-L48 HydrophobicContact CG1-CD1 4.26Å; V5-L48 HydrophobicContact CG2-CD1 4.37Å; V5-L48 HydrophobicContact CG2-CD2 4.27Å; L8-L48 HydrophobicContact CD1-CD2 3.88Å; P25-L48 HydrophobicContact CB-CD1 4.15Å; P46-L48 PolarHBondContact O-N 2.96Å; L48-F50 HydrophobicContact CD1-CE2 4.21Å; L48-F50 HydrophobicContact CD1-CZ 4.17Å; L48-F50 HydrophobicContact CD2-CE2 3.66Å; L48-F50 HydrophobicContact CD2-CZ 3.88Å; L48-F50 HydrophobicContact CG-CD2 4.45Å; L48-F50 HydrophobicContact CG-CE2 3.85Å; L48-F50 HydrophobicContact CG-CZ 4.23Å; L48-L166 HydrophobicContact CG-CD1 4.38Å; L48-L166 PolarHBondContact O-N 3.31Å; L48-I169 HydrophobicContact CB-CB 4.39Å; L48-I169 HydrophobicContact CB-CG2 4.1Å; L48-I169 HydrophobicContact CD2-CG2 4Å; L48-I169 PolarHBondContact N-O 2.83Å; L48-V171 HydrophobicContact CB-CG1 4.18Å; L48-V171 HydrophobicContact CB-CG2 3.78Å; L48-V171 HydrophobicContact CD1-CG2 3.94Å; L48-V171 HydrophobicContact CD2-CG1 4.43Å; L48-V171 HydrophobicContact CG-CG2 4.38Å; L48-L174 HydrophobicContact CD1-CD2 4.41Å
49A98.8Very high98.5Very high0 Ų024.2 Ų24.20%014%0.138CC..EExtended strand (participates in β ladder)trans-132153.5172.600000110.2P25 F26 V28 V164 L165P25-A49 CarbonylContact C-O 3.5Å; P25-A49 WeakPolarHBondContact CA-O 3.33Å; F26-A49 HydrophobicContact CD1-CB 3.82Å; F26-A49 HydrophobicContact CD2-CB 4.15Å; F26-A49 HydrophobicContact CE1-CB 3.38Å; F26-A49 HydrophobicContact CE2-CB 3.72Å; F26-A49 HydrophobicContact CG-CB 4.18Å; F26-A49 HydrophobicContact CZ-CB 3.32Å; F26-A49 PolarHBondContact N-O 3.39Å; F26-A49 PolarHBondContact O-N 2.85Å; V28-A49 HydrophobicContact CG2-CB 4.34Å; A49-V164 CarbonylContact C-O 3.56Å; A49-V164 VanDerWaalsContact CA-O 3.31Å; A49-V164 WeakPolarHBondContact CA-O 3.37Å; A49-L165 HydrophobicContact CB-CD2 3.64Å
50F98.8Very high98.4Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-123.4125.1171.2-66.2-85.5000110L8 K9 I12 V23 Y24 P25 L48 V163 V164 L166L8-F50 HydrophobicContact CB-CE2 4.4Å; L8-F50 HydrophobicContact CB-CZ 4.24Å; K9-F50 HydrophobicContact CB-CE1 3.72Å; K9-F50 HydrophobicContact CB-CZ 4.08Å; K9-F50 HydrophobicContact CG-CE1 3.99Å; I12-F50 HydrophobicContact CD1-CD2 3.42Å; I12-F50 VanDerWaalsContact CD1-CD2 3.42Å; I12-F50 HydrophobicContact CD1-CE2 3.47Å; I12-F50 VanDerWaalsContact CD1-CE2 3.47Å; I12-F50 HydrophobicContact CD1-CG 3.97Å; I12-F50 HydrophobicContact CD1-CZ 4.06Å; V23-F50 HydrophobicContact CG1-CB 3.7Å; V23-F50 HydrophobicContact CG1-CD1 3.67Å; V23-F50 HydrophobicContact CG1-CG 3.95Å; Y24-F50 CarbonylContact O-C 3.4Å; Y24-F50 WeakPolarHBondContact O-CA 3.32Å; P25-F50 HydrophobicContact CB-CD1 3.89Å; P25-F50 HydrophobicContact CB-CE1 3.67Å; P25-F50 HydrophobicContact CB-CZ 4.5Å; P25-F50 HydrophobicContact CG-CE1 4.42Å; L48-F50 HydrophobicContact CD1-CE2 4.21Å; L48-F50 HydrophobicContact CD1-CZ 4.17Å; L48-F50 HydrophobicContact CD2-CE2 3.66Å; L48-F50 HydrophobicContact CD2-CZ 3.88Å; L48-F50 HydrophobicContact CG-CD2 4.45Å; L48-F50 HydrophobicContact CG-CE2 3.85Å; L48-F50 HydrophobicContact CG-CZ 4.23Å; F50-V163 CarbonylContact O-C 3.58Å; F50-V163 VanDerWaalsContact O-CA 3.25Å; F50-V163 WeakPolarHBondContact O-CA 3.38Å; F50-V164 HydrophobicContact CB-CB 4.34Å; F50-V164 PolarHBondContact N-O 2.66Å; F50-V164 PolarHBondContact O-N 3.18Å; F50-L166 HydrophobicContact CD2-CD1 3.55Å; F50-L166 HydrophobicContact CE2-CD1 3.7Å
51L98.9Very high98.3Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-74.9135.2164.6179.789.5000108.9V23 Y24 F26 L53 A120 A121 A124 A126 I160 V163V23-L51 CarbonylContact C-O 3.54Å; V23-L51 VanDerWaalsContact CA-O 3.32Å; V23-L51 WeakPolarHBondContact CA-O 3.34Å; Y24-L51 HydrophobicContact CD2-CD2 4.25Å; Y24-L51 PolarHBondContact N-O 3.05Å; Y24-L51 PolarHBondContact O-N 2.98Å; F26-L51 HydrophobicContact CD1-CB 4.5Å; F26-L51 HydrophobicContact CE1-CB 4.35Å; L51-L53 HydrophobicContact CD2-CD2 4.35Å; L51-A120 HydrophobicContact CD1-CB 3.76Å; L51-A121 HydrophobicContact CD1-CB 4.01Å; L51-A121 VanDerWaalsContact CD2-CA 3.48Å; L51-A121 HydrophobicContact CD2-CB 3.72Å; L51-A121 HydrophobicContact CG-CB 4.49Å; L51-A124 HydrophobicContact CB-CB 3.98Å; L51-A124 HydrophobicContact CD2-CB 4.4Å; L51-A126 HydrophobicContact CD2-CB 3.4Å; L51-I160 HydrophobicContact CD1-CG2 3.67Å; L51-I160 HydrophobicContact CG-CG2 4.43Å; L51-V163 HydrophobicContact CD1-CG1 4.41Å
52V98.9Very high98.3Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-114.7131.6171.4-176.70000109.5L16 F21 L87 R161 G162 V164L16-V52 HydrophobicContact CD1-CG1 3.94Å; L16-V52 HydrophobicContact CD1-CG2 4.01Å; F21-V52 HydrophobicContact CB-CG1 4.29Å; F21-V52 HydrophobicContact CD1-CG1 3.91Å; F21-V52 HydrophobicContact CG-CG1 4.4Å; V52-L87 HydrophobicContact CB-CD2 4.27Å; V52-L87 HydrophobicContact CG1-CD2 4.2Å; V52-L87 HydrophobicContact CG2-CD2 4.04Å; V52-R161 HydrophobicContact CG1-CB 4.45Å; V52-R161 PolarHBondContact O-N 3.37Å; V52-G162 PolarHBondContact N-O 3.1Å; V52-G162 PolarHBondContact O-N 2.87Å; V52-V164 HydrophobicContact CG2-CG2 3.98Å
53L98.8Very high98.2Very high0 Ų017.2 Ų17.20%010%0.103CC..EExtended strand (participates in β ladder)trans-130.3154.2172.468.481000111F21 E22 Y24 L51 T55 A126 F158 A159F21-L53 CarbonylContact C-O 3.52Å; F21-L53 WeakPolarHBondContact CA-O 3.38Å; F21-L53 WeakPolarHBondContact CB-O 3.48Å; E22-L53 HydrophobicContact CB-CD1 3.85Å; E22-L53 HydrophobicContact CB-CG 4.11Å; E22-L53 HydrophobicContact CG-CD1 4.38Å; E22-L53 PolarHBondContact N-O 3.06Å; E22-L53 PolarHBondContact O-N 3.18Å; Y24-L53 HydrophobicContact CD2-CD2 4.27Å; Y24-L53 HydrophobicContact CE2-CD2 3.73Å; Y24-L53 HydrophobicContact CE2-CG 4.16Å; L51-L53 HydrophobicContact CD2-CD2 4.35Å; L53-T55 HydrophobicContact CD1-CG2 4.26Å; L53-A126 HydrophobicContact CD2-CB 4.05Å; L53-F158 HydrophobicContact CB-CD2 4.15Å; L53-F158 HydrophobicContact CD1-CB 4.49Å; L53-F158 HydrophobicContact CD1-CD2 4.12Å; L53-F158 HydrophobicContact CD2-CD2 3.97Å; L53-F158 HydrophobicContact CD2-CE2 4.09Å; L53-F158 HydrophobicContact CG-CD2 4.33Å; L53-A159 CarbonylContact C-O 3.51Å; L53-A159 VanDerWaalsContact CA-O 3.31Å; L53-A159 WeakPolarHBondContact CA-O 3.42Å; L53-A159 WeakPolarHBondContact CB-O 3.17Å
54S98.8Very high98Very high0 Ų018 Ų180%011%0.105CC..EExtended strand (participates in β ladder)trans-101.9131.9173.965.30000110.8F158 A159 R161S54-F158 WeakPolarHBondContact O-CA 3.24Å; S54-F158 WeakPolarHBondContact O-CB 3.17Å; S54-A159 PolarHBondContact N-O 3.44Å; S54-A159 PolarHBondContact O-N 3.46Å; S54-A159 VanDerWaalsContact O-N 3.1Å; S54-A159 PolarHBondContact OG-O 2.96Å; S54-R161 PolarHBondContact OG-NE 3.27Å; S54-R161 PolarHBondContact OG-NH2 3.49Å; S54-R161 VanDerWaalsContact OG-NH2 3.16Å
55T98.8Very high97.7Very high11 Ų1117.5 Ų17.57%0.06710%0.102CC..  trans-83.9174.6171.171.60000110.8G20 E22 L53 A57 M58 F154G20-T55 WeakPolarHBondContact O-CB 3.28Å; G20-T55 PolarHBondContact O-N 2.92Å; G20-T55 PolarHBondContact O-OG1 2.77Å; E22-T55 HydrophobicContact CG-CG2 3.77Å; L53-T55 HydrophobicContact CD1-CG2 4.26Å; T55-A57 PolarHBondContact O-N 3.37Å; T55-A57 PolarHBondContact OG1-N 3.07Å; T55-M58 WeakPolarHBondContact O-CB 3.31Å; T55-M58 PolarHBondContact O-N 2.83Å; T55-F154 HydrophobicContact CG2-CD2 4.21Å; T55-F154 HydrophobicContact CG2-CE2 3.48Å; T55-F154 VanDerWaalsContact CG2-CE2 3.48Å; T55-F154 HydrophobicContact CG2-CZ 3.84Å
56P98.7Very high97.5Very high1 Ų117 Ų171%0.0069%0.092CC..THydrogen-bonded Turntrans-50.1-42.7172.4-29.638.4000113.4M58 F59 F154 W157 E213 Y215 Q219P56-M58 PolarHBondContact O-N 2.77Å; P56-F59 PolarHBondContact O-N 3.43Å; P56-F154 HydrophobicContact CG-CD1 4.31Å; P56-W157 VanDerWaalsContact CD-O 3.31Å; P56-W157 WeakPolarHBondContact CD-O 3.21Å; P56-W157 HydrophobicContact CG-CB 4.35Å; P56-W157 WeakPolarHBondContact CG-O 3.34Å; P56-E213 HydrophobicContact CB-CG 3.9Å; P56-E213 HydrophobicContact CG-CB 4.21Å; P56-E213 HydrophobicContact CG-CG 4.03Å; P56-Y215 HydrophobicContact CB-CD1 3.76Å; P56-Y215 HydrophobicContact CB-CE1 4.2Å; P56-Y215 HydrophobicContact CG-CD1 3.86Å; P56-Y215 HydrophobicContact CG-CE1 4.05Å; P56-Q219 PolarHBondContact O-NE2 2.89Å; P56-Q219 PolarHBondContact O-OE1 2.98Å
57A98.5Very high97.1Very high15 Ų1516.8 Ų16.812%0.1249%0.089CC..THydrogen-bonded Turntrans-59.4-22.7-176.700000114.8T55 F59 D60 Q61T55-A57 PolarHBondContact O-N 3.37Å; T55-A57 PolarHBondContact OG1-N 3.07Å; A57-F59 PolarHBondContact O-N 3.18Å; A57-D60 PolarHBondContact O-N 2.84Å; A57-Q61 HydrophobicContact CB-CG 4.47Å; A57-Q61 WeakPolarHBondContact O-CB 3.44Å; A57-Q61 WeakPolarHBondContact O-CG 3.48Å; A57-Q61 PolarHBondContact O-N 2.82Å
58M98.6Very high96.5Very high1 Ų124.9 Ų24.91%0.00513%0.127CC..Hα-helixtrans-58.7-32.4-179.8-175.3-83.1-75.500112.5F19 F21 T55 P56 D60 A62 L63 V79 V83 R161F19-M58 WeakPolarHBondContact O-CA 3.28Å; F19-M58 WeakPolarHBondContact O-CG 3.25Å; F21-M58 HydrophobicContact CD1-CG 4.45Å; F21-M58 HydrophobicContact CD2-CG 4.43Å; F21-M58 HydrophobicContact CE1-CG 3.86Å; F21-M58 HydrophobicContact CE2-CG 3.83Å; F21-M58 HydrophobicContact CZ-CG 3.51Å; F21-M58 HydrophobicContact CZ-SD 4.3Å; T55-M58 WeakPolarHBondContact O-CB 3.31Å; T55-M58 PolarHBondContact O-N 2.83Å; P56-M58 PolarHBondContact O-N 2.77Å; M58-D60 PolarHBondContact O-N 3.03Å; M58-A62 HydrophobicContact CG-CB 3.83Å; M58-A62 WeakPolarHBondContact O-CA 3.33Å; M58-A62 WeakPolarHBondContact O-CB 3.32Å; M58-A62 PolarHBondContact O-N 3.27Å; M58-A62 HydrophobicContact SD-CB 4Å; M58-L63 PolarHBondContact O-N 2.78Å; M58-L63 VanDerWaalsContact O-N 3.08Å; M58-L63 HydrophobicContact SD-CB 4.45Å; M58-V79 HydrophobicContact CE-CG1 4.15Å; M58-V83 HydrophobicContact CE-CG2 4.48Å; M58-R161 VanDerWaalsContact CE-NH2 3.3Å
59F97.7Very high95.7Very high8 Ų829.1 Ų29.14%0.03516%0.156CC..Iπ-helixtrans-61.1-47179.2-176.3-101.1000112.1P56 A57 L63 K64 E218 Q219 Y222 F223P56-F59 PolarHBondContact O-N 3.43Å; A57-F59 PolarHBondContact O-N 3.18Å; F59-L63 HydrophobicContact CD2-CD2 3.57Å; F59-L63 HydrophobicContact CE2-CD2 3.64Å; F59-L63 WeakPolarHBondContact O-CB 3.45Å; F59-L63 PolarHBondContact O-N 3.37Å; F59-K64 VanDerWaalsContact CE1-CE 3.45Å; F59-K64 PolarHBondContact O-N 3.02Å; F59-E218 HydrophobicContact CE1-CG 4.1Å; F59-E218 HydrophobicContact CZ-CG 4.42Å; F59-Q219 HydrophobicContact CB-CB 4.34Å; F59-Q219 VanDerWaalsContact CB-CD 3.42Å; F59-Q219 HydrophobicContact CB-CG 3.81Å; F59-Q219 HydrophobicContact CD1-CB 3.74Å; F59-Q219 HydrophobicContact CD1-CG 4.08Å; F59-Q219 HydrophobicContact CD2-CB 4.19Å; F59-Q219 HydrophobicContact CD2-CG 3.78Å; F59-Q219 HydrophobicContact CE1-CB 3.99Å; F59-Q219 HydrophobicContact CE2-CB 4.44Å; F59-Q219 HydrophobicContact CE2-CG 4.36Å; F59-Q219 HydrophobicContact CG-CB 3.84Å; F59-Q219 HydrophobicContact CG-CG 3.62Å; F59-Q219 HydrophobicContact CZ-CB 4.35Å; F59-Y222 AromaticContact CE2-CD1 3.8Å; F59-Y222 HydrophobicContact CE2-CD1 3.8Å; F59-Y222 HydrophobicContact CE2-CD2 4.1Å; F59-Y222 HydrophobicContact CE2-CE1 4.45Å; F59-Y222 AromaticContact CE2-CG 3.6Å; F59-Y222 HydrophobicContact CE2-CG 3.6Å; F59-Y222 HydrophobicContact CZ-CD2 4.37Å; F59-Y222 HydrophobicContact CZ-CG 4.07Å; F59-F223 HydrophobicContact CD2-CE2 4.44Å
60D96.1Very high94.3Very high69 Ų6931 Ų3137%0.36917%0.169SC..Iπ-helixtrans-81.2-37.7-179.3-67.9-56000112.6A57 M58 K64 P65A57-D60 PolarHBondContact O-N 2.84Å; M58-D60 PolarHBondContact O-N 3.03Å; D60-K64 WeakPolarHBondContact OD1-CD 3.07Å; D60-K64 WeakPolarHBondContact OD1-CE 3.32Å; D60-K64 IonicContact OD1-NZ 3.21Å; D60-K64 PolarHBondContact OD1-NZ 2.93Å; D60-P65 WeakPolarHBondContact O-CD 3.4Å
61Q97.9Very high93Very high89 Ų8940.1 Ų40.142%0.41621%0.211SC..Iπ-helixtrans-86.1-26.2-173-63.6179.8-0.900113.6P18 A57P18-Q61 PolarHBondContact O-OE1 3.23Å; P18-Q61 VanDerWaalsContact O-OE1 3.09Å; A57-Q61 HydrophobicContact CB-CG 4.47Å; A57-Q61 WeakPolarHBondContact O-CB 3.44Å; A57-Q61 WeakPolarHBondContact O-CG 3.48Å; A57-Q61 PolarHBondContact O-N 2.82Å
62A97.1Very high91.9Very high1 Ų141.8 Ų41.81%0.00822%0.22CC..Iπ-helixtrans-115.7-58.7-17800000111.7F19 F21 M58 P65 F66F19-A62 HydrophobicContact CB-CB 3.99Å; F21-A62 HydrophobicContact CE2-CB 4.19Å; M58-A62 HydrophobicContact CG-CB 3.83Å; M58-A62 WeakPolarHBondContact O-CA 3.33Å; M58-A62 WeakPolarHBondContact O-CB 3.32Å; M58-A62 PolarHBondContact O-N 3.27Å; M58-A62 HydrophobicContact SD-CB 4Å; A62-P65 WeakPolarHBondContact O-CD 3.46Å; A62-F66 WeakPolarHBondContact O-CB 3.5Å; A62-F66 PolarHBondContact O-N 3.42Å
63L95.8Very high90.8Very high1 Ų151 Ų511%0.00526%0.255CS..Iπ-helixtrans-66.8-49.7-169.3-177.465.3000112M58 F59 F66 L67 P78 V79 C82 Y222M58-L63 PolarHBondContact O-N 2.78Å; M58-L63 VanDerWaalsContact O-N 3.08Å; M58-L63 HydrophobicContact SD-CB 4.45Å; F59-L63 HydrophobicContact CD2-CD2 3.57Å; F59-L63 HydrophobicContact CE2-CD2 3.64Å; F59-L63 WeakPolarHBondContact O-CB 3.45Å; F59-L63 PolarHBondContact O-N 3.37Å; L63-F66 WeakPolarHBondContact O-CB 3.2Å; L63-F66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CD1-CD1 4.33Å; L63-L67 HydrophobicContact CD1-CD2 4.46Å; L63-L67 HydrophobicContact CD1-CG 4.16Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 HydrophobicContact CG-CG 4.27Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.22Å; L63-P78 HydrophobicContact CD1-CB 4.34Å; L63-V79 HydrophobicContact CD1-CG2 4.26Å; L63-V79 HydrophobicContact CD2-CG2 3.86Å; L63-C82 HydrophobicContact CD1-CB 3.85Å; L63-Y222 HydrophobicContact CD2-CE1 3.98Å
64K92.9Very high89.5Confident53 Ų5358.7 Ų58.723%0.2329%0.293CS..Hα-helixtrans-57.8-50.5179.3-76-177.1-178.1173.10112.6F59 D60 F66 L67 Q68 E218F59-K64 VanDerWaalsContact CE1-CE 3.45Å; F59-K64 PolarHBondContact O-N 3.02Å; D60-K64 WeakPolarHBondContact OD1-CD 3.07Å; D60-K64 WeakPolarHBondContact OD1-CE 3.32Å; D60-K64 IonicContact OD1-NZ 3.21Å; D60-K64 PolarHBondContact OD1-NZ 2.93Å; K64-F66 VanDerWaalsContact C-N 3.31Å; K64-F66 PolarHBondContact O-N 2.99Å; K64-L67 PolarHBondContact O-N 3.02Å; K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 2.86Å; K64-E218 WeakPolarHBondContact CE-OE1 3.47Å; K64-E218 WeakPolarHBondContact CE-OE2 3.41Å; K64-E218 VanDerWaalsContact NZ-CD 3.28Å; K64-E218 IonicContact NZ-OE1 3.6Å; K64-E218 PolarHBondContact NZ-OE1 3.15Å; K64-E218 IonicContact NZ-OE2 2.85Å; K64-E218 PolarHBondContact NZ-OE2 3.24Å
65P93.9Very high88.2Confident56 Ų5666.8 Ų66.836%0.36434%0.335SS..Hα-helixtrans-60-38.4173.6-27.335.4000113.5D60 A62 L67 Q68 S69D60-P65 WeakPolarHBondContact O-CD 3.4Å; A62-P65 WeakPolarHBondContact O-CD 3.46Å; P65-L67 PolarHBondContact O-N 3.18Å; P65-Q68 PolarHBondContact O-N 2.87Å; P65-S69 WeakPolarHBondContact O-CB 3.43Å; P65-S69 PolarHBondContact O-N 3.22Å; P65-S69 PolarHBondContact O-OG 2.85Å
66F93.5Very high87.3Confident14 Ų1469.3 Ų69.36%0.06135%0.35CS..Hα-helixtrans-62.1-43.9177.9-178.4-98.1000111.8A62 L63 K64 Q68 S69 C70 L72 Q81 C82 Y85A62-F66 WeakPolarHBondContact O-CB 3.5Å; A62-F66 PolarHBondContact O-N 3.42Å; L63-F66 WeakPolarHBondContact O-CB 3.2Å; L63-F66 PolarHBondContact O-N 3.43Å; K64-F66 VanDerWaalsContact C-N 3.31Å; K64-F66 PolarHBondContact O-N 2.99Å; F66-Q68 PolarHBondContact O-N 2.79Å; F66-S69 PolarHBondContact O-N 3.26Å; F66-S69 PolarHBondContact O-OG 2.89Å; F66-C70 HydrophobicContact CD2-CB 4.05Å; F66-C70 VanDerWaalsContact CD2-SG 3.56Å; F66-C70 HydrophobicContact CE1-CB 4.33Å; F66-C70 HydrophobicContact CE2-CB 3.75Å; F66-C70 WeakPolarHBondContact CE2-SG 3.33Å; F66-C70 HydrophobicContact CG-CB 4.45Å; F66-C70 HydrophobicContact CZ-CB 3.9Å; F66-C70 WeakPolarHBondContact O-CB 3.4Å; F66-C70 PolarHBondContact O-N 3.13Å; F66-L72 HydrophobicContact CD1-CD2 4.07Å; F66-L72 HydrophobicContact CE1-CD2 3.51Å; F66-L72 HydrophobicContact CZ-CD2 4.42Å; F66-Q81 HydrophobicContact CE1-CB 3.75Å; F66-Q81 HydrophobicContact CZ-CB 3.83Å; F66-C82 HydrophobicContact CB-CB 4.11Å; F66-C82 HydrophobicContact CD1-CB 3.6Å; F66-C82 HydrophobicContact CD2-CB 4.33Å; F66-C82 HydrophobicContact CE1-CB 4.06Å; F66-C82 HydrophobicContact CG-CB 3.75Å; F66-Y85 HydrophobicContact CD2-CD1 4.04Å; F66-Y85 HydrophobicContact CD2-CG 4.13Å; F66-Y85 HydrophobicContact CE2-CD1 4.22Å; F66-Y85 HydrophobicContact CE2-CD2 4.39Å; F66-Y85 AromaticContact CE2-CG 3.82Å; F66-Y85 HydrophobicContact CE2-CG 3.82Å
67L89.3Confident86.8Confident33 Ų3370.3 Ų70.317%0.17336%0.356CS..Hα-helixtrans-62.7-29176.8-68.6173.9000113.2L63 K64 P65 L72 P78 L234L63-L67 HydrophobicContact CD1-CD1 4.33Å; L63-L67 HydrophobicContact CD1-CD2 4.46Å; L63-L67 HydrophobicContact CD1-CG 4.16Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 HydrophobicContact CG-CG 4.27Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.22Å; K64-L67 PolarHBondContact O-N 3.02Å; P65-L67 PolarHBondContact O-N 3.18Å; L67-L72 HydrophobicContact CD2-CD1 3.7Å; L67-L72 HydrophobicContact CD2-CD2 4.13Å; L67-L72 HydrophobicContact CD2-CG 4.44Å; L67-P78 HydrophobicContact CD2-CB 3.71Å; L67-P78 HydrophobicContact CD2-CG 4.43Å; L67-L234 HydrophobicContact CD1-CD1 3.68Å; L67-L234 HydrophobicContact CD1-CD2 3.7Å; L67-L234 HydrophobicContact CD1-CG 4.33Å; L67-L234 HydrophobicContact CD2-CD1 3.59Å; L67-L234 HydrophobicContact CG-CD1 4.27Å
68Q86.3Confident86.5Confident171 Ų17169.7 Ų69.780%0.79935%0.35SS*.Hα-helixtrans-83-29.4178.7-68171.6-200113.2K64 P65 F66K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 2.86Å; P65-Q68 PolarHBondContact O-N 2.87Å; F66-Q68 PolarHBondContact O-N 2.79Å
69S81.4Confident86.3Confident88 Ų8869.8 Ų69.862%0.61535%0.351SS*.Hα-helixtrans-104.2-25.4-168.656.30000114.3P65 F66P65-S69 WeakPolarHBondContact O-CB 3.43Å; P65-S69 PolarHBondContact O-N 3.22Å; P65-S69 PolarHBondContact O-OG 2.85Å; F66-S69 PolarHBondContact O-N 3.26Å; F66-S69 PolarHBondContact O-OG 2.89Å
70C70.8Confident86.1Confident41 Ų4171.2 Ų71.228%0.27736%0.359SS..SBendtrans-108.6141.3-170.2-670000112.5F66 L72F66-C70 HydrophobicContact CD2-CB 4.05Å; F66-C70 VanDerWaalsContact CD2-SG 3.56Å; F66-C70 HydrophobicContact CE1-CB 4.33Å; F66-C70 HydrophobicContact CE2-CB 3.75Å; F66-C70 WeakPolarHBondContact CE2-SG 3.33Å; F66-C70 HydrophobicContact CG-CB 4.45Å; F66-C70 HydrophobicContact CZ-CB 3.9Å; F66-C70 WeakPolarHBondContact O-CB 3.4Å; F66-C70 PolarHBondContact O-N 3.13Å; C70-L72 PolarHBondContact O-N 3.24Å; C70-L72 VanDerWaalsContact O-N 3.08Å
71H69.9Low86Confident190 Ų19069 Ų6988%0.8835%0.347SS*.  trans-73.1101.2166.6-6978000108R73H71-R73 PolarHBondContact O-N 2.77Å
72L77Confident86Confident35 Ų3564.8 Ų64.818%0.18333%0.327CS..PPolyproline II helixtrans-59.2129.7177.6-63.6179.6000110F66 L67 C70 M74 P78 L231 L236F66-L72 HydrophobicContact CD1-CD2 4.07Å; F66-L72 HydrophobicContact CE1-CD2 3.51Å; F66-L72 HydrophobicContact CZ-CD2 4.42Å; L67-L72 HydrophobicContact CD2-CD1 3.7Å; L67-L72 HydrophobicContact CD2-CD2 4.13Å; L67-L72 HydrophobicContact CD2-CG 4.44Å; C70-L72 PolarHBondContact O-N 3.24Å; C70-L72 VanDerWaalsContact O-N 3.08Å; L72-M74 PolarHBondContact O-N 3.37Å; L72-P78 HydrophobicContact CD1-CB 4.39Å; L72-P78 HydrophobicContact CD1-CG 4.28Å; L72-P78 HydrophobicContact CD2-CB 4.39Å; L72-L231 HydrophobicContact CD1-CD2 3.68Å; L72-L236 HydrophobicContact CD1-CD1 3.45Å; L72-L236 VanDerWaalsContact CD1-CD1 3.45Å
73R76.3Confident86Confident194 Ų19464.8 Ų64.873%0.73233%0.327SS*.PPolyproline II helixtrans-66.5128.6167.8-63.9-175.7-178.3-177.11.4108.1H71 Q81H71-R73 PolarHBondContact O-N 2.77Å; R73-Q81 PolarHBondContact O-NE2 3.26Å
74M69.5Low86Confident161 Ų16166.7 Ų66.779%0.79334%0.343SS*.THydrogen-bonded Turntrans-59.1144.9175.4-70.3-177.450.800110.3L72 T76L72-M74 PolarHBondContact O-N 3.37Å; M74-T76 VanDerWaalsContact C-N 3.29Å; M74-T76 PolarHBondContact O-N 3.21Å
75L71.6Confident86.2Confident171 Ų17169.6 Ų69.690%0.89535%0.353SS*.THydrogen-bonded Turntrans71.74.6175.2-49.9170.8000116.9
76T80.9Confident86.4Confident63 Ų6367.2 Ų67.239%0.38734%0.337SS..SBendtrans-111.1140.5171.8-490000110M74 Q81M74-T76 VanDerWaalsContact C-N 3.29Å; M74-T76 PolarHBondContact O-N 3.21Å; T76-Q81 HydrophobicContact CG2-CG 3.68Å; T76-Q81 PolarHBondContact O-NE2 3.49Å
77D87.9Confident86.6Confident23 Ų2366.8 Ų66.812%0.12334%0.336CS..  trans-59.5133.9179.5-174.1-86.3000110.8V79 D80 Q81 R230D77-V79 VanDerWaalsContact C-N 3.25Å; D77-V79 PolarHBondContact O-N 3.05Å; D77-V79 WeakPolarHBondContact OD1-CA 3.31Å; D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.2Å; D77-V79 PolarHBondContact OD1-N 3.24Å; D77-D80 HydrophobicContact CB-CB 4.3Å; D77-D80 PolarHBondContact O-N 3.23Å; D77-Q81 WeakPolarHBondContact O-CG 3.39Å; D77-Q81 PolarHBondContact O-N 3.47Å; D77-Q81 VanDerWaalsContact O-N 3.11Å; D77-R230 IonicContact OD1-NH1 2.94Å; D77-R230 IonicContact OD2-CZ 3.39Å; D77-R230 IonicContact OD2-NE 2.87Å; D77-R230 IonicContact OD2-NH1 2.71Å; D77-R230 PolarHBondContact OD2-NH1 2.78Å
78P91.8Very high86.9Confident1 Ų166.2 Ų66.21%0.00634%0.337CS..Hα-helixtrans-62.8-30-177.4-24.134000114.2L63 L67 L72 C82 L231 L234L63-P78 HydrophobicContact CD1-CB 4.34Å; L67-P78 HydrophobicContact CD2-CB 3.71Å; L67-P78 HydrophobicContact CD2-CG 4.43Å; L72-P78 HydrophobicContact CD1-CB 4.39Å; L72-P78 HydrophobicContact CD1-CG 4.28Å; L72-P78 HydrophobicContact CD2-CB 4.39Å; P78-C82 WeakPolarHBondContact O-CB 3.48Å; P78-C82 PolarHBondContact O-N 2.87Å; P78-L231 HydrophobicContact CG-CD2 3.67Å; P78-L231 HydrophobicContact CG-CG 4.42Å; P78-L234 HydrophobicContact CG-CD1 4.31Å
79V94.4Very high87.4Confident3 Ų361.1 Ų61.12%0.01831%0.311CS..Hα-helixtrans-68.2-45.7177.7-1760000109.8M58 L63 D77 Q81 C82 V83 Y222 F223M58-V79 HydrophobicContact CE-CG1 4.15Å; L63-V79 HydrophobicContact CD1-CG2 4.26Å; L63-V79 HydrophobicContact CD2-CG2 3.86Å; D77-V79 VanDerWaalsContact C-N 3.25Å; D77-V79 PolarHBondContact O-N 3.05Å; D77-V79 WeakPolarHBondContact OD1-CA 3.31Å; D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.2Å; D77-V79 PolarHBondContact OD1-N 3.24Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 2.94Å; V79-C82 PolarHBondContact O-N 3.07Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 WeakPolarHBondContact O-CB 3.46Å; V79-V83 VanDerWaalsContact O-CG2 3.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 3.02Å; V79-Y222 HydrophobicContact CG2-CE1 3.66Å; V79-F223 HydrophobicContact CG2-CE1 3.98Å; V79-F223 HydrophobicContact CG2-CZ 4.4Å
80D94.5Very high88.1Confident38 Ų3857 Ų5720%0.20328%0.281CS..Hα-helixtrans-61.1-41178.1-63.5-10.5000110.8D77 V83 A84 Y105D77-D80 HydrophobicContact CB-CB 4.3Å; D77-D80 PolarHBondContact O-N 3.23Å; D80-V83 PolarHBondContact O-N 3.41Å; D80-A84 VanDerWaalsContact O-CB 3.25Å; D80-A84 WeakPolarHBondContact O-CB 3.18Å; D80-A84 PolarHBondContact O-N 3.41Å; D80-Y105 HydrophobicContact CB-CD1 3.9Å; D80-Y105 HydrophobicContact CB-CE1 3.56Å; D80-Y105 VanDerWaalsContact CG-CD1 3.47Å; D80-Y105 WeakPolarHBondContact OD1-CD1 3.49Å
81Q94.4Very high89.3Confident24 Ų2460.5 Ų60.511%0.11229%0.289CS..Hα-helixtrans-65.2-43.3175.7-67.6-173.366.700112.9F66 R73 T76 D77 V79 A84 Y85F66-Q81 HydrophobicContact CE1-CB 3.75Å; F66-Q81 HydrophobicContact CZ-CB 3.83Å; R73-Q81 PolarHBondContact O-NE2 3.26Å; T76-Q81 HydrophobicContact CG2-CG 3.68Å; T76-Q81 PolarHBondContact O-NE2 3.49Å; D77-Q81 WeakPolarHBondContact O-CG 3.39Å; D77-Q81 PolarHBondContact O-N 3.47Å; D77-Q81 VanDerWaalsContact O-N 3.11Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 2.94Å; Q81-A84 PolarHBondContact O-N 2.94Å; Q81-Y85 WeakPolarHBondContact O-CB 3.21Å; Q81-Y85 PolarHBondContact O-N 3.43Å
82C96.3Very high90.5Very high0 Ų058.3 Ų58.30%028%0.279CS..Hα-helixtrans-61.1-48176.2175.20000111L63 F66 P78 V79 A84 Y85 H86L63-C82 HydrophobicContact CD1-CB 3.85Å; F66-C82 HydrophobicContact CB-CB 4.11Å; F66-C82 HydrophobicContact CD1-CB 3.6Å; F66-C82 HydrophobicContact CD2-CB 4.33Å; F66-C82 HydrophobicContact CE1-CB 4.06Å; F66-C82 HydrophobicContact CG-CB 3.75Å; P78-C82 WeakPolarHBondContact O-CB 3.48Å; P78-C82 PolarHBondContact O-N 2.87Å; V79-C82 PolarHBondContact O-N 3.07Å; C82-A84 PolarHBondContact O-N 3.47Å; C82-Y85 WeakPolarHBondContact O-CB 3.36Å; C82-Y85 PolarHBondContact O-N 3.08Å; C82-H86 PolarHBondContact O-CD2 3.21Å; C82-H86 PolarHBondContact O-N 2.91Å
83V97.3Very high91.4Very high0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-61.4-46.3177.7170.20000110.6F21 M58 V79 D80 Y85 H86 L87 R161F21-V83 HydrophobicContact CE1-CG2 4.3Å; F21-V83 HydrophobicContact CZ-CG2 4.41Å; M58-V83 HydrophobicContact CE-CG2 4.48Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 WeakPolarHBondContact O-CB 3.46Å; V79-V83 VanDerWaalsContact O-CG2 3.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 3.02Å; D80-V83 PolarHBondContact O-N 3.41Å; V83-Y85 VanDerWaalsContact C-N 3.3Å; V83-Y85 PolarHBondContact O-N 3.32Å; V83-H86 PolarHBondContact O-N 3.27Å; V83-L87 HydrophobicContact CG1-CD1 3.71Å; V83-L87 HydrophobicContact CG1-CG 4.2Å; V83-L87 WeakPolarHBondContact O-CB 3.37Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 2.74Å; V83-R161 HydrophobicContact CG1-CB 3.85Å; V83-R161 HydrophobicContact CG1-CG 4.34Å; V83-R161 HydrophobicContact CG2-CG 4.28Å
84A96.8Very high92.3Very high42 Ų4249.2 Ų49.235%0.34725%0.248SC..Hα-helixtrans-60.1-39176.900000112.5D80 Q81 C82 G88D80-A84 VanDerWaalsContact O-CB 3.25Å; D80-A84 WeakPolarHBondContact O-CB 3.18Å; D80-A84 PolarHBondContact O-N 3.41Å; Q81-A84 PolarHBondContact O-N 2.94Å; C82-A84 PolarHBondContact O-N 3.47Å; A84-G88 PolarHBondContact O-N 3.28Å
85Y96.6Very high93.5Very high113 Ų11346.4 Ų46.444%0.44324%0.242SC..Hα-helixtrans-60.6-50.4174.7169.6-99.6000111.5F66 Q81 C82 V83 G88 R89F66-Y85 HydrophobicContact CD2-CD1 4.04Å; F66-Y85 HydrophobicContact CD2-CG 4.13Å; F66-Y85 HydrophobicContact CE2-CD1 4.22Å; F66-Y85 HydrophobicContact CE2-CD2 4.39Å; F66-Y85 AromaticContact CE2-CG 3.82Å; F66-Y85 HydrophobicContact CE2-CG 3.82Å; Q81-Y85 WeakPolarHBondContact O-CB 3.21Å; Q81-Y85 PolarHBondContact O-N 3.43Å; C82-Y85 WeakPolarHBondContact O-CB 3.36Å; C82-Y85 PolarHBondContact O-N 3.08Å; V83-Y85 VanDerWaalsContact C-N 3.3Å; V83-Y85 PolarHBondContact O-N 3.32Å; Y85-G88 PolarHBondContact O-N 3.06Å; Y85-R89 PolarHBondContact O-N 2.98Å; Y85-R89 VanDerWaalsContact O-N 3.11Å
86H97.9Very high94.6Very high7 Ų744.1 Ų44.13%0.03223%0.227CC..Hα-helixtrans-67.3-38.9179.4-75-73.2000113L16 F19 F21 C82 V83 G88 R89 V90L16-H86 HydrophobicContact CD2-CB 3.98Å; L16-H86 WeakPolarHBondContact CD2-O 3.42Å; F19-H86 AromaticContact CD1-CE1 3.35Å; F19-H86 WeakPolarHBondContact CD1-CE1 3.39Å; F19-H86 AromaticContact CD2-CE1 3.81Å; F19-H86 AromaticContact CD2-ND1 3.76Å; F19-H86 AromaticContact CE1-CE1 3.79Å; F19-H86 AromaticContact CG-CE1 3.37Å; F19-H86 WeakPolarHBondContact CG-CE1 3.41Å; F19-H86 AromaticContact CG-ND1 3.7Å; F21-H86 HydrophobicContact CE2-CB 4.07Å; F21-H86 HydrophobicContact CZ-CB 4.3Å; C82-H86 PolarHBondContact O-CD2 3.21Å; C82-H86 PolarHBondContact O-N 2.91Å; V83-H86 PolarHBondContact O-N 3.27Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.3Å; H86-R89 WeakPolarHBondContact O-CB 3.42Å; H86-R89 PolarHBondContact O-N 3.17Å; H86-V90 PolarHBondContact O-N 3.5Å
87L96.8Very high95.3Very high5 Ų543.3 Ų43.33%0.02622%0.22CC..Hα-helixtrans-65.9-31.2173-67.9174.6000112.1V52 V83 V90 V101 V164V52-L87 HydrophobicContact CB-CD2 4.27Å; V52-L87 HydrophobicContact CG1-CD2 4.2Å; V52-L87 HydrophobicContact CG2-CD2 4.04Å; V83-L87 HydrophobicContact CG1-CD1 3.71Å; V83-L87 HydrophobicContact CG1-CG 4.2Å; V83-L87 WeakPolarHBondContact O-CB 3.37Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 2.74Å; L87-V90 WeakPolarHBondContact O-CB 3.14Å; L87-V90 PolarHBondContact O-N 3.23Å; L87-V101 HydrophobicContact CB-CG1 3.91Å; L87-V101 HydrophobicContact CD1-CG1 3.74Å; L87-V101 HydrophobicContact CD2-CG1 4.42Å; L87-V101 HydrophobicContact CG-CG1 4.24Å; L87-V164 HydrophobicContact CD2-CG2 4.32Å
88G96.5Very high95.7Very high20 Ų2048.3 Ų48.321%0.20624%0.242CC..Hα-helixtrans-61.9-41.8171.100000112.6A84 Y85 H86 V90 R91 E92A84-G88 PolarHBondContact O-N 3.28Å; Y85-G88 PolarHBondContact O-N 3.06Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.3Å; G88-V90 PolarHBondContact O-N 2.66Å; G88-R91 WeakPolarHBondContact O-CB 3.21Å; G88-R91 PolarHBondContact O-N 2.99Å; G88-E92 PolarHBondContact O-N 3.17Å
89R96.9Very high96Very high65 Ų6549 Ų4925%0.24525%0.246CC..Hα-helixtrans-62-25.8176.5-68.517961.5-155.7-7.3113.6T15 Y85 H86 R91 E92 S93T15-R89 HydrophobicContact CG2-CB 3.93Å; Y85-R89 PolarHBondContact O-N 2.98Å; Y85-R89 VanDerWaalsContact O-N 3.11Å; H86-R89 WeakPolarHBondContact O-CB 3.42Å; H86-R89 PolarHBondContact O-N 3.17Å; R89-R91 VanDerWaalsContact C-N 3.31Å; R89-R91 PolarHBondContact O-N 2.88Å; R89-E92 PolarHBondContact O-N 3.35Å; R89-S93 PolarHBondContact O-N 3.04Å
90V96.7Very high96.2Very high0 Ų052.6 Ų52.60%026%0.263CS..Hα-helixtrans-62.2-41.2171.9179.50000110.9I12 T15 L16 H86 L87 G88 E92 S93 L94 V164I12-V90 HydrophobicContact CD1-CG1 4.48Å; I12-V90 HydrophobicContact CG1-CG1 3.96Å; I12-V90 HydrophobicContact CG2-CG1 4.25Å; I12-V90 HydrophobicContact CG2-CG2 4.25Å; T15-V90 HydrophobicContact CG2-CG2 4.31Å; L16-V90 HydrophobicContact CD1-CG2 3.75Å; L16-V90 HydrophobicContact CD2-CG2 3.8Å; L16-V90 HydrophobicContact CG-CG2 3.75Å; H86-V90 PolarHBondContact O-N 3.5Å; L87-V90 WeakPolarHBondContact O-CB 3.14Å; L87-V90 PolarHBondContact O-N 3.23Å; G88-V90 PolarHBondContact O-N 2.66Å; V90-E92 VanDerWaalsContact C-N 3.31Å; V90-E92 PolarHBondContact O-N 2.86Å; V90-S93 PolarHBondContact O-N 3.14Å; V90-S93 PolarHBondContact O-OG 3.24Å; V90-L94 PolarHBondContact O-N 3.46Å; V90-V164 HydrophobicContact CG1-CG1 4.17Å
91R94.4Very high96.3Very high115 Ų11551.6 Ų51.643%0.43426%0.258SS..Hα-helixtrans-63.3-39.4174.9-61.2-170.8172.6113.3-5111.7G88 R89 S93 L94 I99G88-R91 WeakPolarHBondContact O-CB 3.21Å; G88-R91 PolarHBondContact O-N 2.99Å; R89-R91 VanDerWaalsContact C-N 3.31Å; R89-R91 PolarHBondContact O-N 2.88Å; R91-S93 VanDerWaalsContact C-N 3.32Å; R91-S93 PolarHBondContact O-N 2.98Å; R91-L94 CarbonylContact O-C 3.52Å; R91-L94 PolarHBondContact O-N 3.37Å; R91-I99 HydrophobicContact CG-CB 4.17Å; R91-I99 HydrophobicContact CG-CG2 3.99Å; R91-I99 PolarHBondContact NE-O 3.24Å
92E95Very high96.5Very high144 Ų14451.5 Ų51.567%0.67326%0.258SS*.Hα-helixtrans-67.9-31.1177.8-62.6170.4-175.700112.6G88 R89 V90 L94 P95G88-E92 PolarHBondContact O-N 3.17Å; R89-E92 PolarHBondContact O-N 3.35Å; V90-E92 VanDerWaalsContact C-N 3.31Å; V90-E92 PolarHBondContact O-N 2.86Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.18Å; E92-P95 WeakPolarHBondContact O-CD 3.37Å
93S95.8Very high96.6Very high39 Ų3951.6 Ų51.627%0.27326%0.259SS..Hα-helixtrans-75.5-16.3178.374.10000114.3T15 R89 V90 R91 P95T15-S93 WeakPolarHBondContact OG1-CB 3.46Å; R89-S93 PolarHBondContact O-N 3.04Å; V90-S93 PolarHBondContact O-N 3.14Å; V90-S93 PolarHBondContact O-OG 3.24Å; R91-S93 VanDerWaalsContact C-N 3.32Å; R91-S93 PolarHBondContact O-N 2.98Å; S93-P95 VanDerWaalsContact C-CD 3.48Å
94L95.5Very high96.6Very high0 Ų054.2 Ų54.20%027%0.273CS..  trans-135.156.5-176.2-68169.3000110.2L8 K11 I12 V90 R91 E92 E96 L97 I99L8-L94 HydrophobicContact CD2-CD1 4.42Å; L8-L94 HydrophobicContact CD2-CD2 3.93Å; K11-L94 HydrophobicContact CB-CD2 4.21Å; K11-L94 HydrophobicContact CD-CD2 3.47Å; K11-L94 VanDerWaalsContact CD-CD2 3.47Å; K11-L94 HydrophobicContact CG-CD2 4.49Å; I12-L94 HydrophobicContact CD1-CD1 4.36Å; I12-L94 HydrophobicContact CG1-CD1 3.96Å; V90-L94 PolarHBondContact O-N 3.46Å; R91-L94 CarbonylContact O-C 3.52Å; R91-L94 PolarHBondContact O-N 3.37Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.18Å; L94-E96 PolarHBondContact O-N 3.01Å; L94-L97 HydrophobicContact CB-CD1 4.3Å; L94-L97 HydrophobicContact CD1-CD1 4.42Å; L94-L97 HydrophobicContact CD2-CD1 4.18Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.11Å; L94-I99 HydrophobicContact CB-CD1 3.51Å; L94-I99 HydrophobicContact CD1-CD1 3.81Å; L94-I99 HydrophobicContact CG-CD1 4.3Å
95P94.5Very high96.6Very high102 Ų10256.4 Ų56.466%0.66227%0.273SS*.THydrogen-bonded Turntrans-64.9-21.8-170.728.6-37.1000113.7E92 S93 L97E92-P95 WeakPolarHBondContact O-CD 3.37Å; S93-P95 VanDerWaalsContact C-CD 3.48Å; P95-L97 VanDerWaalsContact C-N 3.28Å
96E94.9Very high96.6Very high123 Ų12353.4 Ų53.458%0.57526%0.263SS*.THydrogen-bonded Turntrans-76.9-11.5178.167-81.1-170.400113.9K11 L94K11-E96 IonicContact NZ-OE1 3.07Å; L94-E96 PolarHBondContact O-N 3.01Å
97L96.3Very high96.6Very high46 Ų4656.8 Ų56.824%0.24128%0.284CS..SBendtrans-108.2142.4-174.9-56.8-176.8000112L8 L94 P95 I99 L166 I169L8-L97 HydrophobicContact CD2-CD1 3.51Å; L94-L97 HydrophobicContact CB-CD1 4.3Å; L94-L97 HydrophobicContact CD1-CD1 4.42Å; L94-L97 HydrophobicContact CD2-CD1 4.18Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.11Å; P95-L97 VanDerWaalsContact C-N 3.28Å; L97-I99 HydrophobicContact CB-CD1 4.29Å; L97-I99 HydrophobicContact CB-CG1 4.1Å; L97-I99 PolarHBondContact O-N 3.32Å; L97-L166 HydrophobicContact CD1-CD2 4.03Å; L97-I169 HydrophobicContact CD2-CD1 4.37Å
98Q96.6Very high96.6Very high127 Ų12760.4 Ų60.459%0.59330%0.3SS*.  trans-71.5116.4163.5-178.4174.2-6.200108.7P167Q98-P167 HydrophobicContact CG-CG 4.45Å; Q98-P167 WeakPolarHBondContact O-CD 3.5Å
99I97.7Very high96.6Very high17 Ų1766 Ų669%0.08733%0.333CS..  trans-123.5119.9-179.5-66.1171.4000110.5R91 L94 L97 V101 V164R91-I99 HydrophobicContact CG-CB 4.17Å; R91-I99 HydrophobicContact CG-CG2 3.99Å; R91-I99 PolarHBondContact NE-O 3.24Å; L94-I99 HydrophobicContact CB-CD1 3.51Å; L94-I99 HydrophobicContact CD1-CD1 3.81Å; L94-I99 HydrophobicContact CG-CD1 4.3Å; L97-I99 HydrophobicContact CB-CD1 4.29Å; L97-I99 HydrophobicContact CB-CG1 4.1Å; L97-I99 PolarHBondContact O-N 3.32Å; I99-V101 HydrophobicContact CG2-CG2 3.99Å; I99-V164 HydrophobicContact CG2-CG1 3.57Å
100E97.9Very high96.5Very high77 Ų7768.5 Ų68.536%0.3635%0.351SS..EExtended strand (participates in β ladder)trans-99.4137.4170-67.4176.3-155.400109.2L165 P167E100-L165 HydrophobicContact CB-CB 4.1Å; E100-L165 HydrophobicContact CB-CD1 4.36Å; E100-L165 PolarHBondContact N-O 2.87Å; E100-L165 PolarHBondContact O-N 3.24Å; E100-P167 HydrophobicContact CG-CG 4.3Å
101V98Very high96.5Very high18 Ų1878.9 Ų78.911%0.10939%0.391CS..EExtended strand (participates in β ladder)trans-126.9132.5178.7178.30000106.9L87 I99 V163 V164L87-V101 HydrophobicContact CB-CG1 3.91Å; L87-V101 HydrophobicContact CD1-CG1 3.74Å; L87-V101 HydrophobicContact CD2-CG1 4.42Å; L87-V101 HydrophobicContact CG-CG1 4.24Å; I99-V101 HydrophobicContact CG2-CG2 3.99Å; V101-V163 WeakPolarHBondContact CA-O 3.49Å; V101-V164 HydrophobicContact CG2-CG2 4.41Å
102I98.3Very high96.6Very high21 Ų2176.1 Ų76.111%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-125.5111.3173.6-52.2175.1000107.4L41 E106 K114 I115 G162 V163 L165L41-I102 HydrophobicContact CD2-CD1 4.19Å; I102-E106 HydrophobicContact CG2-CB 4.35Å; I102-K114 HydrophobicContact CG2-CB 3.55Å; I102-K114 HydrophobicContact CG2-CD 4.29Å; I102-I115 HydrophobicContact CB-CG2 4.45Å; I102-I115 HydrophobicContact CG2-CB 3.97Å; I102-I115 HydrophobicContact CG2-CG2 3.73Å; I102-G162 CarbonylContact O-C 3.46Å; I102-G162 WeakPolarHBondContact O-CA 3.31Å; I102-V163 HydrophobicContact CB-CG2 3.9Å; I102-V163 HydrophobicContact CD1-CG2 4.44Å; I102-V163 HydrophobicContact CG1-CG2 4.4Å; I102-V163 PolarHBondContact N-O 2.7Å; I102-V163 PolarHBondContact O-N 2.79Å; I102-L165 HydrophobicContact CD1-CD1 3.83Å; I102-L165 HydrophobicContact CG1-CD1 4.36Å
103A98.3Very high96.7Very high2 Ų271.7 Ų71.72%0.01736%0.364CS..EExtended strand (participates in β ladder)trans-76.5159.3175.800000111.9Y105 E106 R161A103-Y105 VanDerWaalsContact C-N 3.26Å; A103-Y105 HydrophobicContact CB-CD1 3.95Å; A103-Y105 HydrophobicContact CB-CE1 3.46Å; A103-Y105 VanDerWaalsContact CB-CE1 3.46Å; A103-Y105 HydrophobicContact CB-CE2 4.07Å; A103-Y105 HydrophobicContact CB-CG 4.45Å; A103-Y105 PolarHBondContact O-N 3.37Å; A103-E106 HydrophobicContact CB-CG 4.19Å; A103-E106 PolarHBondContact N-OE1 3.31Å; A103-E106 PolarHBondContact O-N 3.02Å; A103-R161 WeakPolarHBondContact CA-O 3.42Å
104D97.8Very high96.9Very high56 Ų5673.4 Ų73.430%0.29937%0.366SS..THydrogen-bonded Turntrans-63.6-29.7-175.464.4-66000113.7A117 I160 R161D104-A117 HydrophobicContact CB-CB 4.48Å; D104-I160 WeakPolarHBondContact CB-O 3.5Å; D104-I160 VanDerWaalsContact CG-O 3.29Å; D104-R161 PolarHBondContact N-O 3.11Å; D104-R161 WeakPolarHBondContact OD1-CA 3.27Å
105Y96Very high97Very high88 Ų8873.6 Ų73.635%0.34537%0.367SS..THydrogen-bonded Turntrans-84.6-5.2179.657.2-100.8000113.8D80 A103 V107D80-Y105 HydrophobicContact CB-CD1 3.9Å; D80-Y105 HydrophobicContact CB-CE1 3.56Å; D80-Y105 VanDerWaalsContact CG-CD1 3.47Å; D80-Y105 WeakPolarHBondContact OD1-CD1 3.49Å; A103-Y105 VanDerWaalsContact C-N 3.26Å; A103-Y105 HydrophobicContact CB-CD1 3.95Å; A103-Y105 HydrophobicContact CB-CE1 3.46Å; A103-Y105 VanDerWaalsContact CB-CE1 3.46Å; A103-Y105 HydrophobicContact CB-CE2 4.07Å; A103-Y105 HydrophobicContact CB-CG 4.45Å; A103-Y105 PolarHBondContact O-N 3.37Å; Y105-V107 PolarHBondContact O-N 3.3Å
106E97.5Very high97.2Very high49 Ų4970.8 Ų70.823%0.22935%0.347CS..  trans-75.6128.8-177.1-71.2-171-121.100112.6I102 A103 K114I102-E106 HydrophobicContact CG2-CB 4.35Å; A103-E106 HydrophobicContact CB-CG 4.19Å; A103-E106 PolarHBondContact N-OE1 3.31Å; A103-E106 PolarHBondContact O-N 3.02Å; E106-K114 HydrophobicContact CB-CB 4.44Å; E106-K114 HydrophobicContact CB-CD 3.91Å; E106-K114 HydrophobicContact CB-CG 4.24Å; E106-K114 PolarHBondContact O-N 2.87Å; E106-K114 IonicContact OE2-NZ 2.68Å; E106-K114 PolarHBondContact OE2-NZ 2.83Å
107V97.4Very high97.4Very high78 Ų7865.9 Ų65.947%0.47333%0.327SS..BIsolated β-bridgetrans-121.4151.2177.2-62.60000111.7Y105 R112Y105-V107 PolarHBondContact O-N 3.3Å; V107-R112 CarbonylContact C-O 3.49Å; V107-R112 VanDerWaalsContact CA-O 3.27Å; V107-R112 WeakPolarHBondContact CA-O 3.42Å
108H95.8Very high97.5Very high81 Ų8166.4 Ų66.438%0.37533%0.329SS..  trans-69164.9164.1-69.2-73.7000110.9N110 R111 R112H108-N110 VanDerWaalsContact CB-OD1 3.26Å; H108-N110 WeakPolarHBondContact CB-OD1 3.49Å; H108-N110 PolarHBondContact O-N 2.9Å; H108-R111 WeakPolarHBondContact O-CA 3.34Å; H108-R111 PolarHBondContact O-N 3.02Å; H108-R112 PolarHBondContact N-O 3.35Å
109P97.1Very high97.6Very high139 Ų13961.1 Ų61.190%0.90331%0.305SS*.THydrogen-bonded Turntrans-55.7-27.6177.6-28.436.3000114.7R111P109-R111 PolarHBondContact O-N 2.92Å
110N96.1Very high97.6Very high117 Ų11760.3 Ų60.363%0.62630%0.301SS*.THydrogen-bonded Turntrans-81.813.2175.165.35.8000113.8H108 R112H108-N110 VanDerWaalsContact CB-OD1 3.26Å; H108-N110 WeakPolarHBondContact CB-OD1 3.49Å; H108-N110 PolarHBondContact O-N 2.9Å; N110-R112 PolarHBondContact O-N 2.92Å; N110-R112 WeakPolarHBondContact OD1-CB 3.48Å; N110-R112 PolarHBondContact OD1-N 2.8Å; N110-R112 VanDerWaalsContact OD1-N 3.15Å
111R96.3Very high97.7Very high218 Ų21856.7 Ų56.782%0.82328%0.284SS*.SBendtrans66.67.4-178.4-55.1-176.6174.5-171.8-2.7115.9H108 P109H108-R111 WeakPolarHBondContact O-CA 3.34Å; H108-R111 PolarHBondContact O-N 3.02Å; P109-R111 PolarHBondContact O-N 2.92Å
112R96.6Very high97.7Very high56 Ų5657.8 Ų57.821%0.21129%0.288CS..  trans-73.6136.4174-171-174-172.8-175.23.2110.5A38 F39 V107 H108 N110 K114A38-R112 PolarHBondContact O-NH1 2.83Å; A38-R112 PolarHBondContact O-NH2 3.18Å; A38-R112 VanDerWaalsContact O-NH2 3.09Å; F39-R112 VanDerWaalsContact CD1-NE 3.3Å; F39-R112 HydrophobicContact CE1-CG 3.69Å; F39-R112 HydrophobicContact CZ-CG 4.14Å; V107-R112 CarbonylContact C-O 3.49Å; V107-R112 VanDerWaalsContact CA-O 3.27Å; V107-R112 WeakPolarHBondContact CA-O 3.42Å; H108-R112 PolarHBondContact N-O 3.35Å; N110-R112 PolarHBondContact O-N 2.92Å; N110-R112 WeakPolarHBondContact OD1-CB 3.48Å; N110-R112 PolarHBondContact OD1-N 2.8Å; N110-R112 VanDerWaalsContact OD1-N 3.15Å; R112-K114 PolarHBondContact O-N 3.26Å
113P97.3Very high97.7Very high52 Ų5257.5 Ų57.534%0.33829%0.287SS..BIsolated β-bridgetrans-57.1137.3172.4-22.733.1000111.2I115 L116P113-I115 VanDerWaalsContact C-N 3.27Å; P113-I115 WeakPolarHBondContact CB-O 3.5Å; P113-L116 HydrophobicContact CB-CD2 4.42Å; P113-L116 HydrophobicContact CG-CD2 4.47Å
114K98.3Very high97.8Very high74 Ų7457.7 Ų57.732%0.32229%0.289SS..SBendtrans-70.6-26.8173.6-67.5-169.6-171.3169.40112.3I102 E106 R112I102-K114 HydrophobicContact CG2-CB 3.55Å; I102-K114 HydrophobicContact CG2-CD 4.29Å; E106-K114 HydrophobicContact CB-CB 4.44Å; E106-K114 HydrophobicContact CB-CD 3.91Å; E106-K114 HydrophobicContact CB-CG 4.24Å; E106-K114 PolarHBondContact O-N 2.87Å; E106-K114 IonicContact OE2-NZ 2.68Å; E106-K114 PolarHBondContact OE2-NZ 2.83Å; R112-K114 PolarHBondContact O-N 3.26Å
115I98.3Very high97.8Very high4 Ų456 Ų562%0.02128%0.284CS..SBendtrans-135.9137176-171.569.3000109.8Y31 L41 I102 P113 A117 V163Y31-I115 HydrophobicContact CD2-CD1 4.47Å; Y31-I115 HydrophobicContact CE1-CD1 4Å; Y31-I115 HydrophobicContact CE2-CD1 3.79Å; L41-I115 HydrophobicContact CD1-CD1 4.21Å; L41-I115 HydrophobicContact CD2-CD1 4.25Å; I102-I115 HydrophobicContact CB-CG2 4.45Å; I102-I115 HydrophobicContact CG2-CB 3.97Å; I102-I115 HydrophobicContact CG2-CG2 3.73Å; P113-I115 VanDerWaalsContact C-N 3.27Å; P113-I115 WeakPolarHBondContact CB-O 3.5Å; I115-A117 PolarHBondContact O-N 2.79Å; I115-V163 HydrophobicContact CB-CG2 4.48Å; I115-V163 HydrophobicContact CD1-CG1 4.27Å; I115-V163 HydrophobicContact CD1-CG2 4.03Å; I115-V163 HydrophobicContact CG1-CG1 4.03Å; I115-V163 HydrophobicContact CG1-CG2 3.97Å
116L98.6Very high97.9Very high43 Ų4351.9 Ų51.923%0.22527%0.268CS..  trans-86.185.4167.6-63-178.9000109Y31 L35 F39 P113 Q118 T119 A120Y31-L116 HydrophobicContact CE2-CB 4.24Å; Y31-L116 WeakPolarHBondContact OH-CB 3.4Å; Y31-L116 PolarHBondContact OH-N 3.37Å; L35-L116 HydrophobicContact CD1-CD1 4.06Å; L35-L116 HydrophobicContact CD2-CD1 3.58Å; L35-L116 HydrophobicContact CG-CD1 4.47Å; F39-L116 HydrophobicContact CB-CD1 4.33Å; F39-L116 HydrophobicContact CD1-CD1 3.77Å; F39-L116 HydrophobicContact CD1-CD2 4.05Å; F39-L116 HydrophobicContact CD1-CG 3.71Å; F39-L116 HydrophobicContact CD2-CD1 3.85Å; F39-L116 HydrophobicContact CE1-CD1 3.98Å; F39-L116 HydrophobicContact CE1-CD2 3.66Å; F39-L116 HydrophobicContact CE1-CG 3.87Å; F39-L116 HydrophobicContact CE2-CD1 4.13Å; F39-L116 HydrophobicContact CG-CD1 3.72Å; F39-L116 HydrophobicContact CG-CG 4.16Å; F39-L116 HydrophobicContact CZ-CD1 4.19Å; F39-L116 HydrophobicContact CZ-CD2 4.16Å; F39-L116 HydrophobicContact CZ-CG 4.49Å; P113-L116 HydrophobicContact CB-CD2 4.42Å; P113-L116 HydrophobicContact CG-CD2 4.47Å; L116-Q118 VanDerWaalsContact C-N 3.28Å; L116-Q118 PolarHBondContact O-N 2.96Å; L116-T119 WeakPolarHBondContact O-CB 3.41Å; L116-T119 PolarHBondContact O-N 3.41Å; L116-T119 VanDerWaalsContact O-N 3.1Å; L116-A120 PolarHBondContact O-N 2.83Å; L116-A120 VanDerWaalsContact O-N 3.14Å
117A98.5Very high98Very high21 Ų2149.5 Ų49.517%0.17426%0.257CS..Hα-helixtrans-50.4-43.7-171.400000113.7D104 I115 A120 A121 I160D104-A117 HydrophobicContact CB-CB 4.48Å; I115-A117 PolarHBondContact O-N 2.79Å; A117-A120 PolarHBondContact O-N 2.88Å; A117-A121 PolarHBondContact O-N 3.4Å; A117-I160 HydrophobicContact CB-CB 4.14Å; A117-I160 HydrophobicContact CB-CD1 4.26Å; A117-I160 HydrophobicContact CB-CG2 3.76Å
118Q98.8Very high98.1Very high57 Ų5747.7 Ų47.727%0.26624%0.242SC..Hα-helixtrans-66.1-39.1-178.3-67.7177.6-47.500112.8L116 A121 H122 Y129 G147 I160L116-Q118 VanDerWaalsContact C-N 3.28Å; L116-Q118 PolarHBondContact O-N 2.96Å; Q118-A121 PolarHBondContact O-N 3.24Å; Q118-H122 PolarHBondContact O-N 3.43Å; Q118-Y129 HydrophobicContact CB-CD1 4.22Å; Q118-Y129 HydrophobicContact CB-CD2 3.69Å; Q118-Y129 HydrophobicContact CB-CE1 4.16Å; Q118-Y129 HydrophobicContact CB-CE2 3.59Å; Q118-Y129 HydrophobicContact CB-CG 4Å; Q118-Y129 HydrophobicContact CG-CD2 4.25Å; Q118-Y129 HydrophobicContact CG-CE2 3.98Å; Q118-Y129 VanDerWaalsContact OE1-CZ 3.29Å; Q118-Y129 PolarHBondContact OE1-OH 3.28Å; Q118-G147 PolarHBondContact NE2-O 3.35Å; Q118-I160 HydrophobicContact CG-CD1 4.16Å
119T98.8Very high98.2Very high16 Ų1645.3 Ų45.310%0.09823%0.23CC..Hα-helixtrans-63.7-45.2173.4-52.20000110.8Y31 L34 L35 L116 A121 H122 V123Y31-T119 HydrophobicContact CD2-CG2 3.96Å; Y31-T119 HydrophobicContact CE2-CG2 4.1Å; L34-T119 HydrophobicContact CB-CG2 4.31Å; L34-T119 HydrophobicContact CD1-CG2 4.27Å; L35-T119 HydrophobicContact CD1-CG2 4.2Å; L35-T119 HydrophobicContact CD2-CG2 4.19Å; L35-T119 HydrophobicContact CG-CG2 4.21Å; L116-T119 WeakPolarHBondContact O-CB 3.41Å; L116-T119 PolarHBondContact O-N 3.41Å; L116-T119 VanDerWaalsContact O-N 3.1Å; T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.1Å; T119-H122 WeakPolarHBondContact O-CB 3.49Å; T119-H122 PolarHBondContact O-N 3.16Å; T119-V123 WeakPolarHBondContact O-CG2 3.08Å; T119-V123 PolarHBondContact O-N 3.27Å
120A98.8Very high98.3Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-58.9-40.9175.700000111.4F26 Y31 L51 L116 A117 H122 V123 A124 V163F26-A120 HydrophobicContact CZ-CB 4.31Å; Y31-A120 HydrophobicContact CD2-CB 4.06Å; Y31-A120 HydrophobicContact CE2-CB 4.22Å; L51-A120 HydrophobicContact CD1-CB 3.76Å; L116-A120 PolarHBondContact O-N 2.83Å; L116-A120 VanDerWaalsContact O-N 3.14Å; A117-A120 PolarHBondContact O-N 2.88Å; A120-H122 VanDerWaalsContact C-N 3.34Å; A120-H122 PolarHBondContact O-N 3.49Å; A120-V123 WeakPolarHBondContact O-CG2 3.39Å; A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 3.27Å; A120-A124 VanDerWaalsContact O-N 3.07Å; A120-V163 HydrophobicContact CB-CG1 4.02Å
121A98.9Very high98.4Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-65-37177.500000113.6L51 A117 Q118 T119 A126 A127 I160L51-A121 HydrophobicContact CD1-CB 4.01Å; L51-A121 VanDerWaalsContact CD2-CA 3.48Å; L51-A121 HydrophobicContact CD2-CB 3.72Å; L51-A121 HydrophobicContact CG-CB 4.49Å; A117-A121 PolarHBondContact O-N 3.4Å; Q118-A121 PolarHBondContact O-N 3.24Å; T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.1Å; A121-A126 PolarHBondContact O-N 3.33Å; A121-A127 PolarHBondContact O-N 2.9Å; A121-I160 HydrophobicContact CB-CD1 3.53Å; A121-I160 HydrophobicContact CB-CG1 4.02Å
122H98.9Very high98.5Very high41 Ų4129 Ų2919%0.1914%0.144CC..Hα-helixtrans-65.8-52.9176.4-169.2112.3000111.1Q118 T119 A120 A124 G125 A127 Y128 Y129 P179Q118-H122 PolarHBondContact O-N 3.43Å; T119-H122 WeakPolarHBondContact O-CB 3.49Å; T119-H122 PolarHBondContact O-N 3.16Å; A120-H122 VanDerWaalsContact C-N 3.34Å; A120-H122 PolarHBondContact O-N 3.49Å; H122-A124 VanDerWaalsContact C-N 3.3Å; H122-A124 PolarHBondContact O-N 3.27Å; H122-G125 PolarHBondContact O-N 3.18Å; H122-A127 WeakPolarHBondContact CA-O 3.5Å; H122-Y128 AromaticContact CE1-CD2 3.94Å; H122-Y128 AromaticContact CE1-CE1 3.96Å; H122-Y128 AromaticContact CE1-CE2 3.8Å; H122-Y128 AromaticContact CE1-CZ 3.8Å; H122-Y129 WeakPolarHBondContact ND1-CB 3.43Å; H122-Y129 PolarHBondContact ND1-N 2.87Å; H122-P179 WeakPolarHBondContact NE2-CG 3.43Å; H122-P179 WeakPolarHBondContact O-CD 3.2Å; H122-P179 WeakPolarHBondContact O-CG 3.27Å
123V98.8Very high98.6Very high16 Ų1633.4 Ų33.410%0.09717%0.167CC..Hα-helixtrans-71.7-24.3-174.2-57.90000113.3F26 W30 L34 T119 A120 G125F26-V123 HydrophobicContact CB-CG2 4.45Å; F26-V123 HydrophobicContact CD2-CG2 3.84Å; F26-V123 HydrophobicContact CE2-CG2 4.4Å; F26-V123 HydrophobicContact CG-CG2 4.28Å; W30-V123 HydrophobicContact CB-CB 3.96Å; W30-V123 HydrophobicContact CB-CG1 4.37Å; W30-V123 HydrophobicContact CB-CG2 4.37Å; W30-V123 WeakPolarHBondContact O-CG1 3.44Å; L34-V123 HydrophobicContact CD1-CG1 3.52Å; T119-V123 WeakPolarHBondContact O-CG2 3.08Å; T119-V123 PolarHBondContact O-N 3.27Å; A120-V123 WeakPolarHBondContact O-CG2 3.39Å; V123-G125 PolarHBondContact O-N 2.96Å
124A98.7Very high98.7Very high6 Ų632.5 Ų32.55%0.0516%0.16CC..THydrogen-bonded Turntrans-77-5170.600000113.4F26 L51 A120 H122 A126F26-A124 HydrophobicContact CB-CB 3.9Å; F26-A124 HydrophobicContact CD1-CB 3.9Å; F26-A124 HydrophobicContact CG-CB 4.17Å; L51-A124 HydrophobicContact CB-CB 3.98Å; L51-A124 HydrophobicContact CD2-CB 4.4Å; A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.41Å; A120-A124 PolarHBondContact O-N 3.27Å; A120-A124 VanDerWaalsContact O-N 3.07Å; H122-A124 VanDerWaalsContact C-N 3.3Å; H122-A124 PolarHBondContact O-N 3.27Å; A124-A126 PolarHBondContact O-N 3.46Å
125G98.7Very high98.7Very high20 Ų2029.3 Ų29.321%0.20615%0.146CC..THydrogen-bonded Turntrans7313.8-17900000114.3H122 V123 R177H122-G125 PolarHBondContact O-N 3.18Å; V123-G125 PolarHBondContact O-N 2.96Å; G125-R177 WeakPolarHBondContact CA-O 3.42Å
126A98.8Very high98.6Very high1 Ų136.9 Ų36.91%0.00818%0.182CC..SBendtrans-75.8-48.6-175.300000112Y24 L51 L53 A121 A124 H151 P152Y24-A126 HydrophobicContact CD1-CB 3.79Å; Y24-A126 HydrophobicContact CD2-CB 3.52Å; Y24-A126 HydrophobicContact CE1-CB 4Å; Y24-A126 HydrophobicContact CE2-CB 3.75Å; Y24-A126 HydrophobicContact CG-CB 3.55Å; L51-A126 HydrophobicContact CD2-CB 3.4Å; L53-A126 HydrophobicContact CD2-CB 4.05Å; A121-A126 PolarHBondContact O-N 3.33Å; A124-A126 PolarHBondContact O-N 3.46Å; A126-H151 PolarHBondContact O-CD2 2.69Å; A126-P152 WeakPolarHBondContact O-CD 3.47Å
127A98.9Very high98.5Very high0 Ų039.3 Ų39.30%021%0.208CC..SBendtrans-148.8136.1-177.900000109.8A121 H122 Y129 C149 I150 H151 F158A121-A127 PolarHBondContact O-N 2.9Å; H122-A127 WeakPolarHBondContact CA-O 3.5Å; A127-Y129 PolarHBondContact O-N 3.08Å; A127-C149 HydrophobicContact CB-CB 3.87Å; A127-I150 WeakPolarHBondContact CB-O 3.36Å; A127-H151 HydrophobicContact CB-CB 4.43Å; A127-F158 HydrophobicContact CB-CE1 4.47Å; A127-F158 HydrophobicContact CB-CE2 4.23Å; A127-F158 HydrophobicContact CB-CZ 3.68Å
128Y98.9Very high98.5Very high40 Ų4040.4 Ų40.416%0.15721%0.211CC..EExtended strand (participates in β ladder)trans-71.9123.6178.8-166.2-71000109H122 Y130 C149 I150 P179 H180 D181H122-Y128 AromaticContact CE1-CD2 3.94Å; H122-Y128 AromaticContact CE1-CE1 3.96Å; H122-Y128 AromaticContact CE1-CE2 3.8Å; H122-Y128 AromaticContact CE1-CZ 3.8Å; Y128-Y130 AromaticContact CD1-CD1 3.73Å; Y128-Y130 HydrophobicContact CD1-CD1 3.73Å; Y128-Y130 AromaticContact CD1-CD2 3.97Å; Y128-Y130 HydrophobicContact CD1-CD2 3.97Å; Y128-Y130 AromaticContact CD1-CE1 3.51Å; Y128-Y130 HydrophobicContact CD1-CE1 3.51Å; Y128-Y130 AromaticContact CD1-CE2 3.75Å; Y128-Y130 HydrophobicContact CD1-CE2 3.75Å; Y128-Y130 AromaticContact CD1-CG 3.94Å; Y128-Y130 HydrophobicContact CD1-CG 3.94Å; Y128-Y130 AromaticContact CD1-CZ 3.5Å; Y128-Y130 VanDerWaalsContact CD1-CZ 3.5Å; Y128-Y130 AromaticContact CE1-CD1 3.88Å; Y128-Y130 HydrophobicContact CE1-CD1 3.88Å; Y128-Y130 AromaticContact CE1-CE1 3.79Å; Y128-Y130 HydrophobicContact CE1-CE1 3.79Å; Y128-Y130 HydrophobicContact CE1-CG 4.4Å; Y128-Y130 HydrophobicContact CG-CE1 4.22Å; Y128-Y130 HydrophobicContact CG-CE2 4.12Å; Y128-Y130 AromaticContact CG-CZ 3.83Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.4Å; Y128-Y130 PolarHBondContact O-N 3.2Å; Y128-C149 VanDerWaalsContact O-CA 3.28Å; Y128-C149 WeakPolarHBondContact O-CA 3.46Å; Y128-I150 PolarHBondContact N-O 3.16Å; Y128-I150 PolarHBondContact O-N 2.68Å; Y128-P179 HydrophobicContact CD2-CB 4.37Å; Y128-P179 HydrophobicContact CD2-CG 3.87Å; Y128-P179 HydrophobicContact CG-CG 4.34Å; Y128-H180 WeakPolarHBondContact CB-O 3.45Å; Y128-D181 HydrophobicContact CD2-CB 3.98Å; Y128-D181 HydrophobicContact CE2-CB 4.08Å
129Y98.9Very high98.4Very high31 Ų3141.4 Ų41.412%0.12222%0.222CC..EExtended strand (participates in β ladder)trans-84.2101.4175.1-177.3-145.3000111.1Q118 H122 A127 Q131 C149Q118-Y129 HydrophobicContact CB-CD1 4.22Å; Q118-Y129 HydrophobicContact CB-CD2 3.69Å; Q118-Y129 HydrophobicContact CB-CE1 4.16Å; Q118-Y129 HydrophobicContact CB-CE2 3.59Å; Q118-Y129 HydrophobicContact CB-CG 4Å; Q118-Y129 HydrophobicContact CG-CD2 4.25Å; Q118-Y129 HydrophobicContact CG-CE2 3.98Å; Q118-Y129 VanDerWaalsContact OE1-CZ 3.29Å; Q118-Y129 PolarHBondContact OE1-OH 3.28Å; H122-Y129 WeakPolarHBondContact ND1-CB 3.43Å; H122-Y129 PolarHBondContact ND1-N 2.87Å; A127-Y129 PolarHBondContact O-N 3.08Å; Y129-Q131 VanDerWaalsContact CD1-CD 3.45Å; Y129-Q131 HydrophobicContact CD1-CG 3.54Å; Y129-Q131 HydrophobicContact CD2-CG 4.2Å; Y129-Q131 HydrophobicContact CE1-CG 3.32Å; Y129-Q131 VanDerWaalsContact CE1-OE1 3.31Å; Y129-Q131 HydrophobicContact CE2-CG 4.04Å; Y129-Q131 HydrophobicContact CG-CG 3.99Å; Y129-C149 VanDerWaalsContact CB-SG 3.59Å
130Y98.9Very high98.4Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-81.8122.4175.5-65.1-79.2000110Y128 G147 V148 I150 D181 C182 V183 R189 L192Y128-Y130 AromaticContact CD1-CD1 3.73Å; Y128-Y130 HydrophobicContact CD1-CD1 3.73Å; Y128-Y130 AromaticContact CD1-CD2 3.97Å; Y128-Y130 HydrophobicContact CD1-CD2 3.97Å; Y128-Y130 AromaticContact CD1-CE1 3.51Å; Y128-Y130 HydrophobicContact CD1-CE1 3.51Å; Y128-Y130 AromaticContact CD1-CE2 3.75Å; Y128-Y130 HydrophobicContact CD1-CE2 3.75Å; Y128-Y130 AromaticContact CD1-CG 3.94Å; Y128-Y130 HydrophobicContact CD1-CG 3.94Å; Y128-Y130 AromaticContact CD1-CZ 3.5Å; Y128-Y130 VanDerWaalsContact CD1-CZ 3.5Å; Y128-Y130 AromaticContact CE1-CD1 3.88Å; Y128-Y130 HydrophobicContact CE1-CD1 3.88Å; Y128-Y130 AromaticContact CE1-CE1 3.79Å; Y128-Y130 HydrophobicContact CE1-CE1 3.79Å; Y128-Y130 HydrophobicContact CE1-CG 4.4Å; Y128-Y130 HydrophobicContact CG-CE1 4.22Å; Y128-Y130 HydrophobicContact CG-CE2 4.12Å; Y128-Y130 AromaticContact CG-CZ 3.83Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.4Å; Y128-Y130 PolarHBondContact O-N 3.2Å; Y130-G147 CarbonylContact O-C 3.55Å; Y130-G147 WeakPolarHBondContact O-CA 3.34Å; Y130-V148 PolarHBondContact N-O 3.46Å; Y130-V148 PolarHBondContact O-N 3.49Å; Y130-I150 HydrophobicContact CD2-CB 4.25Å; Y130-I150 HydrophobicContact CD2-CG1 4.08Å; Y130-I150 HydrophobicContact CE2-CB 3.96Å; Y130-I150 HydrophobicContact CE2-CG1 4.22Å; Y130-D181 VanDerWaalsContact CE1-OD1 3.29Å; Y130-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y130-D181 WeakPolarHBondContact OH-CA 3.16Å; Y130-D181 PolarHBondContact OH-OD1 3.09Å; Y130-C182 PolarHBondContact OH-N 2.65Å; Y130-V183 HydrophobicContact CE1-CB 3.94Å; Y130-V183 VanDerWaalsContact CE1-O 3.29Å; Y130-V183 WeakPolarHBondContact CE1-O 3.41Å; Y130-V183 HydrophobicContact CE2-CB 3.97Å; Y130-V183 HydrophobicContact CE2-CG2 4.01Å; Y130-V183 PolarHBondContact OH-N 3.12Å; Y130-R189 HydrophobicContact CD1-CG 3.88Å; Y130-R189 HydrophobicContact CE1-CG 4.15Å; Y130-L192 HydrophobicContact CD2-CD2 3.63Å; Y130-L192 HydrophobicContact CE2-CD2 4.36Å; Y130-L192 HydrophobicContact CG-CD2 3.82Å
131Q98.8Very high98.2Very high59 Ų5944 Ų4428%0.27625%0.246SC..  trans-120.9167-177.6-66.7179.690.900110.7Y129 Q133 D134Y129-Q131 VanDerWaalsContact CD1-CD 3.45Å; Y129-Q131 HydrophobicContact CD1-CG 3.54Å; Y129-Q131 HydrophobicContact CD2-CG 4.2Å; Y129-Q131 HydrophobicContact CE1-CG 3.32Å; Y129-Q131 VanDerWaalsContact CE1-OE1 3.31Å; Y129-Q131 HydrophobicContact CE2-CG 4.04Å; Y129-Q131 HydrophobicContact CG-CG 3.99Å; Q131-Q133 HydrophobicContact CB-CG 3.84Å; Q131-Q133 PolarHBondContact O-N 2.9Å; Q131-D134 PolarHBondContact N-OD2 3.1Å; Q131-D134 WeakPolarHBondContact O-CB 3.41Å; Q131-D134 PolarHBondContact O-N 3.14Å
132R98.5Very high98.1Very high71 Ų7152.3 Ų52.327%0.26829%0.29SS..G310 helixtrans-53.3-38.5174.1-177.8173.4177.4171.1-0.3112.5D134 V135 D138 W140 G141 Q143 I145R132-D134 PolarHBondContact O-N 3.28Å; R132-V135 PolarHBondContact O-N 3.19Å; R132-D138 IonicContact CZ-OD1 3.42Å; R132-D138 IonicContact CZ-OD2 3.33Å; R132-D138 VanDerWaalsContact NE-CG 3.31Å; R132-D138 IonicContact NE-OD1 3.59Å; R132-D138 PolarHBondContact NE-OD1 2.92Å; R132-D138 IonicContact NE-OD2 3.25Å; R132-D138 PolarHBondContact NE-OD2 2.6Å; R132-D138 VanDerWaalsContact NH2-CG 3.3Å; R132-D138 IonicContact NH2-OD1 3.97Å; R132-D138 PolarHBondContact NH2-OD1 3.45Å; R132-D138 IonicContact NH2-OD2 2.84Å; R132-D138 PolarHBondContact NH2-OD2 2.83Å; R132-W140 HydrophobicContact CG-CE3 3.95Å; R132-W140 HydrophobicContact CG-CZ3 4.01Å; R132-G141 VanDerWaalsContact CZ-O 3.3Å; R132-G141 PolarHBondContact NH1-O 3.5Å; R132-G141 PolarHBondContact NH2-O 3.48Å; R132-Q143 PolarHBondContact NH1-O 2.83Å; R132-I145 HydrophobicContact CB-CB 4.37Å
133Q98Very high97.9Very high150 Ų15055.4 Ų55.470%0.70131%0.305SS*.G310 helixtrans-64.9-17.3178.164.6-178.549.400114.4Q131 V135Q131-Q133 HydrophobicContact CB-CG 3.84Å; Q131-Q133 PolarHBondContact O-N 2.9Å; Q133-V135 PolarHBondContact O-N 3.1Å
134D98.3Very high97.8Very high33 Ų3361.7 Ų61.718%0.17633%0.333CS..G310 helixtrans-83.65177.4-60.2-55.2000112.8Q131 R132 R189Q131-D134 PolarHBondContact N-OD2 3.1Å; Q131-D134 WeakPolarHBondContact O-CB 3.41Å; Q131-D134 PolarHBondContact O-N 3.14Å; R132-D134 PolarHBondContact O-N 3.28Å; D134-R189 WeakPolarHBondContact O-CD 3.31Å; D134-R189 PolarHBondContact O-NH1 2.94Å
135V98.4Very high97.8Very high6 Ų662 Ų624%0.03633%0.334CS..SBendtrans-123.1104.8178.2176.20000109.4R132 Q133 D138 W140 R186 R189 I190 L193R132-V135 PolarHBondContact O-N 3.19Å; Q133-V135 PolarHBondContact O-N 3.1Å; V135-D138 HydrophobicContact CB-CB 4.4Å; V135-D138 HydrophobicContact CG1-CB 3.97Å; V135-W140 HydrophobicContact CB-CH2 4.1Å; V135-W140 HydrophobicContact CB-CZ3 4.1Å; V135-W140 HydrophobicContact CG1-CH2 4.04Å; V135-W140 HydrophobicContact CG1-CZ3 4.19Å; V135-W140 HydrophobicContact CG2-CH2 3.98Å; V135-W140 HydrophobicContact CG2-CZ3 4.39Å; V135-R186 HydrophobicContact CG1-CG 4.19Å; V135-R189 HydrophobicContact CG2-CB 3.66Å; V135-I190 HydrophobicContact CG1-CD1 3.86Å; V135-I190 HydrophobicContact CG1-CG1 3.53Å; V135-I190 HydrophobicContact CG2-CG1 4.29Å; V135-L193 HydrophobicContact CG2-CD1 4.05Å
136E96.9Very high97.8Very high163 Ų16363.2 Ų63.276%0.76234%0.339SS*.THydrogen-bonded Turntrans-64.9139.9176.1-64-179175.300111.5D138 R186E136-D138 PolarHBondContact O-N 2.9Å; E136-R186 VanDerWaalsContact O-CZ 3.3Å; E136-R186 PolarHBondContact O-NE 2.8Å; E136-R186 PolarHBondContact O-NH2 3.39Å
137A96.9Very high97.8Very high94 Ų9463.4 Ų63.478%0.77734%0.341SS*.THydrogen-bonded Turntrans46.756.5-178.900000112.1R186A137-R186 PolarHBondContact O-NH2 3Å
138D97.3Very high97.8Very high44 Ų4463.7 Ų63.724%0.23534%0.342CS..  trans-64.3150.2-173.883.578.3000113.4R132 V135 E136 W140R132-D138 IonicContact CZ-OD1 3.42Å; R132-D138 IonicContact CZ-OD2 3.33Å; R132-D138 VanDerWaalsContact NE-CG 3.31Å; R132-D138 IonicContact NE-OD1 3.59Å; R132-D138 PolarHBondContact NE-OD1 2.92Å; R132-D138 IonicContact NE-OD2 3.25Å; R132-D138 PolarHBondContact NE-OD2 2.6Å; R132-D138 VanDerWaalsContact NH2-CG 3.3Å; R132-D138 IonicContact NH2-OD1 3.97Å; R132-D138 PolarHBondContact NH2-OD1 3.45Å; R132-D138 IonicContact NH2-OD2 2.84Å; R132-D138 PolarHBondContact NH2-OD2 2.83Å; V135-D138 HydrophobicContact CB-CB 4.4Å; V135-D138 HydrophobicContact CG1-CB 3.97Å; E136-D138 PolarHBondContact O-N 2.9Å; D138-W140 HydrophobicContact CB-CD2 4.34Å; D138-W140 HydrophobicContact CB-CE3 3.45Å; D138-W140 VanDerWaalsContact CB-CE3 3.45Å; D138-W140 HydrophobicContact CB-CH2 4.48Å; D138-W140 HydrophobicContact CB-CZ3 3.53Å; D138-W140 WeakPolarHBondContact OD1-CB 3.49Å; D138-W140 VanDerWaalsContact OD1-CE3 3.23Å; D138-W140 PolarHBondContact OD1-N 3.43Å
139P97.5Very high97.8Very high79 Ų7962 Ų6251%0.51334%0.337SS..SBendtrans-87.73.7-174.135.5-36000114.5I190P139-I190 HydrophobicContact CG-CG2 4.45Å
140W98Very high97.8Very high21 Ų2160.6 Ų60.68%0.0833%0.331CS..  trans-93.4-0-163.6-55.4-59.3000115.1R132 V135 D138 N142 Q143 I145 I190 L193 E194R132-W140 HydrophobicContact CG-CE3 3.95Å; R132-W140 HydrophobicContact CG-CZ3 4.01Å; V135-W140 HydrophobicContact CB-CH2 4.1Å; V135-W140 HydrophobicContact CB-CZ3 4.1Å; V135-W140 HydrophobicContact CG1-CH2 4.04Å; V135-W140 HydrophobicContact CG1-CZ3 4.19Å; V135-W140 HydrophobicContact CG2-CH2 3.98Å; V135-W140 HydrophobicContact CG2-CZ3 4.39Å; D138-W140 HydrophobicContact CB-CD2 4.34Å; D138-W140 HydrophobicContact CB-CE3 3.45Å; D138-W140 VanDerWaalsContact CB-CE3 3.45Å; D138-W140 HydrophobicContact CB-CH2 4.48Å; D138-W140 HydrophobicContact CB-CZ3 3.53Å; D138-W140 WeakPolarHBondContact OD1-CB 3.49Å; D138-W140 VanDerWaalsContact OD1-CE3 3.23Å; D138-W140 PolarHBondContact OD1-N 3.43Å; W140-N142 PolarHBondContact O-N 3.04Å; W140-Q143 WeakPolarHBondContact O-CB 3.4Å; W140-Q143 PolarHBondContact O-N 3.24Å; W140-I145 HydrophobicContact CB-CD1 3.83Å; W140-I145 HydrophobicContact CB-CG1 3.66Å; W140-I145 HydrophobicContact CD2-CD1 4.01Å; W140-I145 HydrophobicContact CD2-CG1 3.74Å; W140-I145 HydrophobicContact CD2-CG2 4.45Å; W140-I145 HydrophobicContact CE3-CB 4.43Å; W140-I145 HydrophobicContact CE3-CG1 3.88Å; W140-I145 HydrophobicContact CE3-CG2 4.26Å; W140-I145 HydrophobicContact CG-CD1 3.61Å; W140-I145 HydrophobicContact CG-CG1 3.64Å; W140-I145 HydrophobicContact CZ3-CG2 4.43Å; W140-I190 HydrophobicContact CH2-CG1 4.14Å; W140-I190 HydrophobicContact CZ2-CB 4.26Å; W140-I190 HydrophobicContact CZ2-CG1 4.11Å; W140-I190 HydrophobicContact CZ2-CG2 4.08Å; W140-L193 HydrophobicContact CH2-CB 3.98Å; W140-L193 HydrophobicContact CH2-CD1 3.5Å; W140-L193 VanDerWaalsContact CH2-CD1 3.5Å; W140-L193 HydrophobicContact CH2-CG 4.38Å; W140-L193 HydrophobicContact CZ2-CB 3.94Å; W140-L193 HydrophobicContact CZ2-CD1 4.32Å; W140-L193 HydrophobicContact CZ3-CD1 4.01Å; W140-E194 HydrophobicContact CZ2-CG 4.29Å; W140-E194 PolarHBondContact NE1-OE1 3.22Å
141G96.3Very high97.8Very high50 Ų5060.6 Ų60.652%0.51533%0.331SS..THydrogen-bonded Turntrans56.4-136176.400000112.7R132 Q143R132-G141 VanDerWaalsContact CZ-O 3.3Å; R132-G141 PolarHBondContact NH1-O 3.5Å; R132-G141 PolarHBondContact NH2-O 3.48Å; G141-Q143 PolarHBondContact O-N 2.89Å
142N95.6Very high97.8Very high174 Ų17460 Ų6093%0.9333%0.332SS*.THydrogen-bonded Turntrans-85.613.6-177.9-161.927.6000114.2W140W140-N142 PolarHBondContact O-N 3.04Å
143Q95.6Very high97.8Very high106 Ų10661.6 Ų61.650%0.49534%0.338SS..SBendtrans-82.1144-177.5-163172.3-36.300111.6R132 W140 G141 I145R132-Q143 PolarHBondContact NH1-O 2.83Å; W140-Q143 WeakPolarHBondContact O-CB 3.4Å; W140-Q143 PolarHBondContact O-N 3.24Å; G141-Q143 PolarHBondContact O-N 2.89Å; Q143-I145 PolarHBondContact O-N 3.17Å
144H96.7Very high97.8Very high148 Ų14854.8 Ų54.869%0.68531%0.306SS*.  trans-71128171.2-178.8-87.3000110.3S146H144-S146 PolarHBondContact CE1-OG 3.04Å; H144-S146 VanDerWaalsContact CE1-OG 3.27Å
145I98.4Very high97.8Very high12 Ų1253.2 Ų53.26%0.06230%0.298CS..  trans-121.9109177.2-58.8-64000107.6R132 W140 Q143 L193 F198R132-I145 HydrophobicContact CB-CB 4.37Å; W140-I145 HydrophobicContact CB-CD1 3.83Å; W140-I145 HydrophobicContact CB-CG1 3.66Å; W140-I145 HydrophobicContact CD2-CD1 4.01Å; W140-I145 HydrophobicContact CD2-CG1 3.74Å; W140-I145 HydrophobicContact CD2-CG2 4.45Å; W140-I145 HydrophobicContact CE3-CB 4.43Å; W140-I145 HydrophobicContact CE3-CG1 3.88Å; W140-I145 HydrophobicContact CE3-CG2 4.26Å; W140-I145 HydrophobicContact CG-CD1 3.61Å; W140-I145 HydrophobicContact CG-CG1 3.64Å; W140-I145 HydrophobicContact CZ3-CG2 4.43Å; Q143-I145 PolarHBondContact O-N 3.17Å; I145-L193 HydrophobicContact CG2-CB 4.18Å; I145-L193 HydrophobicContact CG2-CD2 4.33Å; I145-F198 HydrophobicContact CD1-CE2 4.49Å; I145-F198 HydrophobicContact CD1-CZ 3.76Å
146S98.3Very high97.8Very high46 Ų4653 Ų5332%0.32230%0.298SS..  trans-71.1137.3176.3-56.40000109.7H144 N197H144-S146 PolarHBondContact CE1-OG 3.04Å; H144-S146 VanDerWaalsContact CE1-OG 3.27Å; S146-N197 WeakPolarHBondContact CB-OD1 3.15Å; S146-N197 PolarHBondContact N-OD1 3.29Å; S146-N197 PolarHBondContact O-ND2 2.71Å
147G98.6Very high97.9Very high4 Ų445.6 Ų45.64%0.04126%0.263CS..  trans-73.8166.4172.100000112.8Q118 Y130 F196Q118-G147 PolarHBondContact NE2-O 3.35Å; Y130-G147 CarbonylContact O-C 3.55Å; Y130-G147 WeakPolarHBondContact O-CA 3.34Å; G147-F196 VanDerWaalsContact O-CE1 3.31Å; G147-F196 WeakPolarHBondContact O-CE1 3.34Å
148V98.9Very high98Very high6 Ų641.8 Ų41.84%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-143.4137.4179.662.90000111.2Y130 L192 L193 F196 Y205Y130-V148 PolarHBondContact N-O 3.46Å; Y130-V148 PolarHBondContact O-N 3.49Å; V148-L192 HydrophobicContact CG1-CD1 3.67Å; V148-L192 HydrophobicContact CG1-CD2 3.92Å; V148-L192 HydrophobicContact CG1-CG 3.63Å; V148-L193 HydrophobicContact CG1-CD2 4.22Å; V148-F196 HydrophobicContact CB-CB 4.22Å; V148-F196 HydrophobicContact CB-CD1 3.8Å; V148-F196 HydrophobicContact CB-CD2 4.1Å; V148-F196 HydrophobicContact CB-CE1 4.15Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CB-CG 3.77Å; V148-F196 HydrophobicContact CB-CZ 4.45Å; V148-F196 HydrophobicContact CG1-CB 4.17Å; V148-F196 HydrophobicContact CG1-CD1 4.46Å; V148-F196 HydrophobicContact CG1-CG 4.26Å; V148-F196 HydrophobicContact CG2-CB 4.44Å; V148-F196 HydrophobicContact CG2-CD1 4.36Å; V148-F196 HydrophobicContact CG2-CD2 3.75Å; V148-F196 HydrophobicContact CG2-CE2 4.02Å; V148-F196 HydrophobicContact CG2-CG 3.93Å; V148-F196 HydrophobicContact CG2-CZ 4.43Å; V148-Y205 HydrophobicContact CG2-CD2 4.13Å; V148-Y205 HydrophobicContact CG2-CE2 3.85Å
149C98.9Very high98.1Very high6 Ų641 Ų414%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-87139.1172.7-680000110.6A127 Y128 Y129 F158A127-C149 HydrophobicContact CB-CB 3.87Å; Y128-C149 VanDerWaalsContact O-CA 3.28Å; Y128-C149 WeakPolarHBondContact O-CA 3.46Å; Y129-C149 VanDerWaalsContact CB-SG 3.59Å; C149-F158 HydrophobicContact CB-CZ 3.87Å
150I98.9Very high98.2Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-119.9124171.6-62.5-64.4000109.4A127 Y128 Y130 V183 L192 A208 V209A127-I150 WeakPolarHBondContact CB-O 3.36Å; Y128-I150 PolarHBondContact N-O 3.16Å; Y128-I150 PolarHBondContact O-N 2.68Å; Y130-I150 HydrophobicContact CD2-CB 4.25Å; Y130-I150 HydrophobicContact CD2-CG1 4.08Å; Y130-I150 HydrophobicContact CE2-CB 3.96Å; Y130-I150 HydrophobicContact CE2-CG1 4.22Å; I150-V183 HydrophobicContact CG2-CG2 4.27Å; I150-L192 HydrophobicContact CD1-CD1 3.69Å; I150-L192 HydrophobicContact CD1-CD2 4.4Å; I150-L192 HydrophobicContact CG1-CD1 3.91Å; I150-L192 HydrophobicContact CG1-CD2 3.67Å; I150-L192 HydrophobicContact CG1-CG 4.45Å; I150-A208 HydrophobicContact CD1-CB 4.37Å; I150-V209 HydrophobicContact CG2-CB 4.35Å; I150-V209 HydrophobicContact CG2-CG2 3.8Å
151H98.9Very high98.2Very high1 Ų137.8 Ų37.81%0.00521%0.207CC..BIsolated β-bridgetrans-82.1134.5178.1-171.1-100.8000110E22 Y24 A126 A127 R153 F154 G155 F158E22-H151 IonicContact OE2-CE1 3.27Å; E22-H151 PolarHBondContact OE2-CE1 3.27Å; E22-H151 IonicContact OE2-NE2 2.75Å; E22-H151 PolarHBondContact OE2-NE2 3.11Å; Y24-H151 PolarHBondContact OH-NE2 3.42Å; A126-H151 PolarHBondContact O-CD2 2.69Å; A127-H151 HydrophobicContact CB-CB 4.43Å; H151-R153 PolarHBondContact ND1-N 2.78Å; H151-R153 PolarHBondContact O-N 2.83Å; H151-R153 VanDerWaalsContact O-N 3.13Å; H151-F154 HydrophobicContact CB-CB 4.24Å; H151-F154 AromaticContact CE1-CD2 3.4Å; H151-F154 VanDerWaalsContact CE1-CD2 3.4Å; H151-F154 WeakPolarHBondContact CE1-CD2 3.21Å; H151-F154 AromaticContact CE1-CE2 3.63Å; H151-F154 AromaticContact CG-CD2 3.9Å; H151-F154 AromaticContact ND1-CD2 3.07Å; H151-F154 WeakPolarHBondContact ND1-CD2 3.44Å; H151-F154 AromaticContact ND1-CE2 3.79Å; H151-F154 AromaticContact ND1-CG 3.7Å; H151-F154 PolarHBondContact ND1-N 3.45Å; H151-F154 PolarHBondContact O-N 2.85Å; H151-G155 WeakPolarHBondContact CB-O 3.4Å; H151-G155 PolarHBondContact N-O 2.81Å; H151-G155 WeakPolarHBondContact O-CA 3.25Å; H151-G155 PolarHBondContact O-N 2.93Å; H151-F158 HydrophobicContact CB-CD1 3.6Å; H151-F158 HydrophobicContact CB-CE1 3.59Å; H151-F158 HydrophobicContact CB-CG 4.17Å; H151-F158 HydrophobicContact CB-CZ 4.13Å
152P98.5Very high98.3Very high46 Ų4635.5 Ų35.530%0.29918%0.183SC..THydrogen-bonded Turntrans-63.5-23.6-175.624.6-35.7000114.2A126 H180A126-P152 WeakPolarHBondContact O-CD 3.47Å; P152-H180 HydrophobicContact CB-CB 4.17Å
153R98.6Very high98.4Very high105 Ų10527.3 Ų27.340%0.39614%0.139SC..THydrogen-bonded Turntrans-101.2-29.1178.8-60.8172.256.9-155.71.8114.1E22 H151 P211 Q212E22-R153 IonicContact OE1-CZ 2.58Å; E22-R153 IonicContact OE1-NH1 3.87Å; E22-R153 PolarHBondContact OE1-NH1 2.97Å; H151-R153 PolarHBondContact ND1-N 2.78Å; H151-R153 PolarHBondContact O-N 2.83Å; H151-R153 VanDerWaalsContact O-N 3.13Å; R153-P211 WeakPolarHBondContact O-CA 3.35Å; R153-Q212 HydrophobicContact CB-CG 4.39Å; R153-Q212 WeakPolarHBondContact O-CB 3.33Å; R153-Q212 PolarHBondContact O-N 2.85Å
154F98.7Very high98.6Very high6 Ų622.2 Ų22.23%0.02612%0.116CC..THydrogen-bonded Turntrans-116.11.1-170.1-57.1-58.9000112.4T55 P56 H151 G156 W157 E213T55-F154 HydrophobicContact CG2-CD2 4.21Å; T55-F154 HydrophobicContact CG2-CE2 3.48Å; T55-F154 VanDerWaalsContact CG2-CE2 3.48Å; T55-F154 HydrophobicContact CG2-CZ 3.84Å; P56-F154 HydrophobicContact CG-CD1 4.31Å; H151-F154 HydrophobicContact CB-CB 4.24Å; H151-F154 AromaticContact CE1-CD2 3.4Å; H151-F154 VanDerWaalsContact CE1-CD2 3.4Å; H151-F154 WeakPolarHBondContact CE1-CD2 3.21Å; H151-F154 AromaticContact CE1-CE2 3.63Å; H151-F154 AromaticContact CG-CD2 3.9Å; H151-F154 AromaticContact ND1-CD2 3.07Å; H151-F154 WeakPolarHBondContact ND1-CD2 3.44Å; H151-F154 AromaticContact ND1-CE2 3.79Å; H151-F154 AromaticContact ND1-CG 3.7Å; H151-F154 PolarHBondContact ND1-N 3.45Å; H151-F154 PolarHBondContact O-N 2.85Å; F154-G156 PolarHBondContact O-N 3.3Å; F154-W157 HydrophobicContact CB-CB 4.46Å; F154-W157 WeakPolarHBondContact O-CA 3.4Å; F154-W157 WeakPolarHBondContact O-CB 3.26Å; F154-W157 VanDerWaalsContact O-CD1 3.26Å; F154-W157 PolarHBondContact O-N 2.97Å; F154-E213 HydrophobicContact CD1-CB 4.33Å; F154-E213 HydrophobicContact CE1-CB 4.25Å
155G98.7Very high98.7Very high0 Ų015.3 Ų15.30%08%0.083CC..BIsolated β-bridgetrans57.3-128.7-170.600000110H151 F158 R206H151-G155 WeakPolarHBondContact CB-O 3.4Å; H151-G155 PolarHBondContact N-O 2.81Å; H151-G155 WeakPolarHBondContact O-CA 3.25Å; H151-G155 PolarHBondContact O-N 2.93Å; G155-F158 WeakPolarHBondContact O-CD1 3.4Å; G155-F158 WeakPolarHBondContact O-CE1 3.38Å; G155-R206 CarbonylContact C-O 3.08Å; G155-R206 WeakPolarHBondContact CA-O 3.44Å
156G98.6Very high98.7Very high3 Ų314.7 Ų14.73%0.0318%0.08CC..THydrogen-bonded Turntrans-89.86.717000000114.5F154 F158 R206F154-G156 PolarHBondContact O-N 3.3Å; G156-F158 PolarHBondContact O-N 3.36Å; G156-R206 PolarHBondContact N-O 3.35Å; G156-R206 WeakPolarHBondContact O-CD 3.29Å; G156-R206 PolarHBondContact O-NH1 3.14Å
157W98.8Very high98.7Very high7 Ų713.6 Ų13.63%0.0277%0.072CC..  trans-81.551.4-179.1-59.996.5000112.8P56 F154 W203 R206 D207 R214 Y215 K220P56-W157 VanDerWaalsContact CD-O 3.31Å; P56-W157 WeakPolarHBondContact CD-O 3.21Å; P56-W157 HydrophobicContact CG-CB 4.35Å; P56-W157 WeakPolarHBondContact CG-O 3.34Å; F154-W157 HydrophobicContact CB-CB 4.46Å; F154-W157 WeakPolarHBondContact O-CA 3.4Å; F154-W157 WeakPolarHBondContact O-CB 3.26Å; F154-W157 VanDerWaalsContact O-CD1 3.26Å; F154-W157 PolarHBondContact O-N 2.97Å; W157-W203 HydrophobicContact CH2-CB 3.7Å; W157-W203 HydrophobicContact CH2-CD2 4.43Å; W157-W203 HydrophobicContact CH2-CE3 4.21Å; W157-W203 HydrophobicContact CH2-CG 4.21Å; W157-W203 HydrophobicContact CZ2-CB 4.18Å; W157-W203 HydrophobicContact CZ3-CB 4.45Å; W157-W203 HydrophobicContact CZ3-CD2 4.4Å; W157-W203 AromaticContact CZ3-CE3 3.81Å; W157-W203 HydrophobicContact CZ3-CE3 3.81Å; W157-R206 HydrophobicContact CD2-CB 3.92Å; W157-R206 HydrophobicContact CG-CB 4.02Å; W157-R206 HydrophobicContact CZ2-CB 4.17Å; W157-D207 PolarHBondContact NE1-OD1 2.86Å; W157-R214 HydrophobicContact CD2-CB 3.94Å; W157-R214 HydrophobicContact CD2-CG 4.06Å; W157-R214 HydrophobicContact CE3-CB 4.3Å; W157-R214 HydrophobicContact CG-CB 4.25Å; W157-R214 HydrophobicContact CG-CG 4.16Å; W157-R214 HydrophobicContact CZ2-CB 4.36Å; W157-R214 HydrophobicContact CZ2-CG 4.19Å; W157-Y215 HydrophobicContact CB-CD1 4.32Å; W157-Y215 HydrophobicContact CB-CE1 4.36Å; W157-Y215 HydrophobicContact CE3-CD1 4.05Å; W157-Y215 AromaticContact CE3-CD2 3.84Å; W157-Y215 HydrophobicContact CE3-CD2 3.84Å; W157-Y215 AromaticContact CE3-CG 3.56Å; W157-Y215 HydrophobicContact CE3-CG 3.56Å; W157-Y215 HydrophobicContact CZ3-CD2 4.13Å; W157-Y215 HydrophobicContact CZ3-CG 4.03Å; W157-Y215 VanDerWaalsContact O-CE1 3.29Å; W157-Y215 WeakPolarHBondContact O-CE1 3.4Å; W157-K220 HydrophobicContact CH2-CD 4.05Å; W157-K220 HydrophobicContact CH2-CG 4.37Å; W157-K220 HydrophobicContact CZ3-CD 4.1Å; W157-K220 HydrophobicContact CZ3-CG 3.98Å
158F98.8Very high98.6Very high14 Ų1416.6 Ų16.66%0.06110%0.103CC..  trans-150.8174.4175.678.1-73.1000109.4L53 S54 A127 C149 H151 G155 G156 I160 Y215L53-F158 HydrophobicContact CB-CD2 4.15Å; L53-F158 HydrophobicContact CD1-CB 4.49Å; L53-F158 HydrophobicContact CD1-CD2 4.12Å; L53-F158 HydrophobicContact CD2-CD2 3.97Å; L53-F158 HydrophobicContact CD2-CE2 4.09Å; L53-F158 HydrophobicContact CG-CD2 4.33Å; S54-F158 WeakPolarHBondContact O-CA 3.24Å; S54-F158 WeakPolarHBondContact O-CB 3.17Å; A127-F158 HydrophobicContact CB-CE1 4.47Å; A127-F158 HydrophobicContact CB-CE2 4.23Å; A127-F158 HydrophobicContact CB-CZ 3.68Å; C149-F158 HydrophobicContact CB-CZ 3.87Å; H151-F158 HydrophobicContact CB-CD1 3.6Å; H151-F158 HydrophobicContact CB-CE1 3.59Å; H151-F158 HydrophobicContact CB-CG 4.17Å; H151-F158 HydrophobicContact CB-CZ 4.13Å; G155-F158 WeakPolarHBondContact O-CD1 3.4Å; G155-F158 WeakPolarHBondContact O-CE1 3.38Å; G156-F158 PolarHBondContact O-N 3.36Å; F158-I160 HydrophobicContact CE2-CG1 3.93Å; F158-Y215 VanDerWaalsContact C-OH 3.28Å; F158-Y215 WeakPolarHBondContact CA-OH 3.46Å; F158-Y215 PolarHBondContact O-OH 2.86Å
159A98.7Very high98.5Very high26 Ų2617.1 Ų17.122%0.21511%0.105CC..EExtended strand (participates in β ladder)trans-143.5140.1169.500000110.2L53 S54L53-A159 CarbonylContact C-O 3.51Å; L53-A159 VanDerWaalsContact CA-O 3.31Å; L53-A159 WeakPolarHBondContact CA-O 3.42Å; L53-A159 WeakPolarHBondContact CB-O 3.17Å; S54-A159 PolarHBondContact N-O 3.44Å; S54-A159 PolarHBondContact O-N 3.46Å; S54-A159 VanDerWaalsContact O-N 3.1Å; S54-A159 PolarHBondContact OG-O 2.96Å
160I98.9Very high98.4Very high18 Ų1821.9 Ų21.99%0.09213%0.127CC..EExtended strand (participates in β ladder)trans-76.2135.1172.3-56157.2000107.4L51 D104 A117 Q118 A121 F158L51-I160 HydrophobicContact CD1-CG2 3.67Å; L51-I160 HydrophobicContact CG-CG2 4.43Å; D104-I160 WeakPolarHBondContact CB-O 3.5Å; D104-I160 VanDerWaalsContact CG-O 3.29Å; A117-I160 HydrophobicContact CB-CB 4.14Å; A117-I160 HydrophobicContact CB-CD1 4.26Å; A117-I160 HydrophobicContact CB-CG2 3.76Å; Q118-I160 HydrophobicContact CG-CD1 4.16Å; A121-I160 HydrophobicContact CB-CD1 3.53Å; A121-I160 HydrophobicContact CB-CG1 4.02Å; F158-I160 HydrophobicContact CE2-CG1 3.93Å
161R98.7Very high98.4Very high16 Ų1621.9 Ų21.96%0.0613%0.127CC..EExtended strand (participates in β ladder)trans-113.6-17.4-171.3-63.8-53.9-175.7178.9-1.2114.4F21 V52 S54 M58 V83 A103 D104F21-R161 HydrophobicContact CD1-CG 4.43Å; F21-R161 HydrophobicContact CE1-CG 4.11Å; V52-R161 HydrophobicContact CG1-CB 4.45Å; V52-R161 PolarHBondContact O-N 3.37Å; S54-R161 PolarHBondContact OG-NE 3.27Å; S54-R161 PolarHBondContact OG-NH2 3.49Å; S54-R161 VanDerWaalsContact OG-NH2 3.16Å; M58-R161 VanDerWaalsContact CE-NH2 3.3Å; V83-R161 HydrophobicContact CG1-CB 3.85Å; V83-R161 HydrophobicContact CG1-CG 4.34Å; V83-R161 HydrophobicContact CG2-CG 4.28Å; A103-R161 WeakPolarHBondContact CA-O 3.42Å; D104-R161 PolarHBondContact N-O 3.11Å; D104-R161 WeakPolarHBondContact OD1-CA 3.27Å
162G98.3Very high98.3Very high2 Ų225.4 Ų25.42%0.02115%0.15CC..EExtended strand (participates in β ladder)trans152.4-166.7174.900000112.6V52 I102V52-G162 PolarHBondContact N-O 3.1Å; V52-G162 PolarHBondContact O-N 2.87Å; I102-G162 CarbonylContact O-C 3.46Å; I102-G162 WeakPolarHBondContact O-CA 3.31Å
163V98.8Very high98.2Very high1 Ų129.5 Ų29.51%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-129.3143175.3-64.30000110.4F26 F50 L51 V101 I102 I115 A120 L165F26-V163 HydrophobicContact CE1-CG1 4.19Å; F26-V163 HydrophobicContact CZ-CG1 4.11Å; F50-V163 CarbonylContact O-C 3.58Å; F50-V163 VanDerWaalsContact O-CA 3.25Å; F50-V163 WeakPolarHBondContact O-CA 3.38Å; L51-V163 HydrophobicContact CD1-CG1 4.41Å; V101-V163 WeakPolarHBondContact CA-O 3.49Å; I102-V163 HydrophobicContact CB-CG2 3.9Å; I102-V163 HydrophobicContact CD1-CG2 4.44Å; I102-V163 HydrophobicContact CG1-CG2 4.4Å; I102-V163 PolarHBondContact N-O 2.7Å; I102-V163 PolarHBondContact O-N 2.79Å; I115-V163 HydrophobicContact CB-CG2 4.48Å; I115-V163 HydrophobicContact CD1-CG1 4.27Å; I115-V163 HydrophobicContact CD1-CG2 4.03Å; I115-V163 HydrophobicContact CG1-CG1 4.03Å; I115-V163 HydrophobicContact CG1-CG2 3.97Å; A120-V163 HydrophobicContact CB-CG1 4.02Å; V163-L165 HydrophobicContact CG2-CD2 4.45Å; V163-L165 HydrophobicContact CG2-CG 4.32Å
164V98.8Very high98.1Very high0 Ų024.9 Ų24.90%015%0.153CC..EExtended strand (participates in β ladder)trans-107.9117.7169.6-177.70000107.1A49 F50 V52 L87 V90 I99 V101 L166A49-V164 CarbonylContact C-O 3.56Å; A49-V164 VanDerWaalsContact CA-O 3.31Å; A49-V164 WeakPolarHBondContact CA-O 3.37Å; F50-V164 HydrophobicContact CB-CB 4.34Å; F50-V164 PolarHBondContact N-O 2.66Å; F50-V164 PolarHBondContact O-N 3.18Å; V52-V164 HydrophobicContact CG2-CG2 3.98Å; L87-V164 HydrophobicContact CD2-CG2 4.32Å; V90-V164 HydrophobicContact CG1-CG1 4.17Å; I99-V164 HydrophobicContact CG2-CG1 3.57Å; V101-V164 HydrophobicContact CG2-CG2 4.41Å; V164-L166 HydrophobicContact CG1-CD1 4.2Å
165L98.7Very high98Very high2 Ų228 Ų281%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-106.3138.3-178.2-57.4166.4000108.8V28 L41 L43 A49 E100 I102 V163 P167V28-L165 HydrophobicContact CG2-CD2 4.22Å; L41-L165 HydrophobicContact CD1-CD1 4.49Å; L41-L165 HydrophobicContact CD1-CD2 3.92Å; L43-L165 HydrophobicContact CD1-CB 4.19Å; L43-L165 HydrophobicContact CD1-CD1 4.07Å; L43-L165 HydrophobicContact CD1-CD2 4.4Å; L43-L165 HydrophobicContact CD1-CG 4.46Å; A49-L165 HydrophobicContact CB-CD2 3.64Å; E100-L165 HydrophobicContact CB-CB 4.1Å; E100-L165 HydrophobicContact CB-CD1 4.36Å; E100-L165 PolarHBondContact N-O 2.87Å; E100-L165 PolarHBondContact O-N 3.24Å; I102-L165 HydrophobicContact CD1-CD1 3.83Å; I102-L165 HydrophobicContact CG1-CD1 4.36Å; V163-L165 HydrophobicContact CG2-CD2 4.45Å; V163-L165 HydrophobicContact CG2-CG 4.32Å; L165-P167 VanDerWaalsContact C-CD 3.44Å; L165-P167 VanDerWaalsContact O-CD 3.28Å; L165-P167 WeakPolarHBondContact O-CD 3.35Å
166L98.3Very high97.8Very high0 Ų032.6 Ų32.60%020%0.203CC..EExtended strand (participates in β ladder)trans-119.575.9-179.3-65.489000110.8L8 L48 F50 L97 V164 G168 I169L8-L166 HydrophobicContact CD1-CD2 4Å; L8-L166 HydrophobicContact CD2-CD2 4.44Å; L48-L166 HydrophobicContact CG-CD1 4.38Å; L48-L166 PolarHBondContact O-N 3.31Å; F50-L166 HydrophobicContact CD2-CD1 3.55Å; F50-L166 HydrophobicContact CE2-CD1 3.7Å; L97-L166 HydrophobicContact CD1-CD2 4.03Å; V164-L166 HydrophobicContact CG1-CD1 4.2Å; L166-G168 PolarHBondContact O-N 3.05Å; L166-I169 HydrophobicContact CB-CB 4.03Å; L166-I169 HydrophobicContact CB-CG1 3.94Å; L166-I169 HydrophobicContact CD2-CG1 4.45Å; L166-I169 WeakPolarHBondContact O-CB 3.29Å; L166-I169 PolarHBondContact O-N 3.29Å
167P98.1Very high97.7Very high22 Ų2241.8 Ų41.814%0.14324%0.237CC..EExtended strand (participates in β ladder)trans-49.9136.6174.7-26.333.8000112.4L43 Q98 E100 L165 I169L43-P167 HydrophobicContact CD1-CG 4.45Å; L43-P167 HydrophobicContact CD2-CB 4.12Å; L43-P167 HydrophobicContact CD2-CG 3.96Å; Q98-P167 HydrophobicContact CG-CG 4.45Å; Q98-P167 WeakPolarHBondContact O-CD 3.5Å; E100-P167 HydrophobicContact CG-CG 4.3Å; L165-P167 VanDerWaalsContact C-CD 3.44Å; L165-P167 VanDerWaalsContact O-CD 3.28Å; L165-P167 WeakPolarHBondContact O-CD 3.35Å; P167-I169 VanDerWaalsContact C-N 3.26Å; P167-I169 PolarHBondContact O-N 3.43Å
168G96.4Very high97.6Very high67 Ų6751 Ų5169%0.69128%0.277SS*.EExtended strand (participates in β ladder)trans82-5.3-177.600000115L166L166-G168 PolarHBondContact O-N 3.05Å
169I97.6Very high97.6Very high17 Ų1751 Ų519%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-101.799.9170.2-51-60.1000108.7L8 T47 L48 L97 L166 P167 V171L8-I169 HydrophobicContact CD1-CG2 4.1Å; T47-I169 WeakPolarHBondContact CA-O 3.27Å; L48-I169 HydrophobicContact CB-CB 4.39Å; L48-I169 HydrophobicContact CB-CG2 4.1Å; L48-I169 HydrophobicContact CD2-CG2 4Å; L48-I169 PolarHBondContact N-O 2.83Å; L97-I169 HydrophobicContact CD2-CD1 4.37Å; L166-I169 HydrophobicContact CB-CB 4.03Å; L166-I169 HydrophobicContact CB-CG1 3.94Å; L166-I169 HydrophobicContact CD2-CG1 4.45Å; L166-I169 WeakPolarHBondContact O-CB 3.29Å; L166-I169 PolarHBondContact O-N 3.29Å; P167-I169 VanDerWaalsContact C-N 3.26Å; P167-I169 PolarHBondContact O-N 3.43Å; I169-V171 HydrophobicContact CG2-CG1 4.35Å
170E97.7Very high97.6Very high107 Ų10755.6 Ų55.650%0.530%0.295SS..EExtended strand (participates in β ladder)trans-99.3135.4178.2-68.3-175-157.100111.3P46P46-E170 HydrophobicContact CB-CB 3.98Å; P46-E170 HydrophobicContact CB-CG 4.21Å; P46-E170 CarbonylContact O-C 3.51Å; P46-E170 WeakPolarHBondContact O-CA 3.29Å
171V97.3Very high97.6Very high0 Ų057.2 Ų57.20%030%0.304CS..  trans-135.960.4-173.8-64.80000110.5V5 Q27 P46 L48 I169 D173 L174V5-V171 HydrophobicContact CG2-CB 4.01Å; V5-V171 HydrophobicContact CG2-CG1 3.41Å; V5-V171 VanDerWaalsContact CG2-CG1 3.41Å; V5-V171 HydrophobicContact CG2-CG2 4.49Å; Q27-V171 HydrophobicContact CG-CG2 4.23Å; Q27-V171 PolarHBondContact NE2-O 3.39Å; P46-V171 PolarHBondContact O-N 3.32Å; L48-V171 HydrophobicContact CB-CG1 4.18Å; L48-V171 HydrophobicContact CB-CG2 3.78Å; L48-V171 HydrophobicContact CD1-CG2 3.94Å; L48-V171 HydrophobicContact CD2-CG1 4.43Å; L48-V171 HydrophobicContact CG-CG2 4.38Å; I169-V171 HydrophobicContact CG2-CG1 4.35Å; V171-D173 PolarHBondContact O-N 2.87Å; V171-D173 VanDerWaalsContact O-N 3.15Å; V171-L174 HydrophobicContact CB-CB 4.12Å; V171-L174 HydrophobicContact CG2-CB 3.97Å; V171-L174 HydrophobicContact CG2-CD2 4.14Å; V171-L174 VanDerWaalsContact O-CB 3.28Å; V171-L174 WeakPolarHBondContact O-CB 3.42Å; V171-L174 PolarHBondContact O-N 2.95Å
172P96.9Very high97.5Very high75 Ų7557.5 Ų57.549%0.48731%0.308SS..THydrogen-bonded Turntrans-59.8-28.9-17226.3-35.4000112.9Q27 P46Q27-P172 PolarHBondContact NE2-O 2.96Å; P46-P172 HydrophobicContact CB-CB 4.23Å; P46-P172 HydrophobicContact CG-CB 4.43Å
173D96.3Very high97.6Very high131 Ų13157.6 Ų57.670%0.70131%0.308SS*.THydrogen-bonded Turntrans-94.78.5-178.4-54.7-49.2000112.9E2 V171 P175E2-D173 WeakPolarHBondContact OE1-CA 3.28Å; E2-D173 WeakPolarHBondContact OE1-CB 3.48Å; E2-D173 PolarHBondContact OE1-N 2.9Å; V171-D173 PolarHBondContact O-N 2.87Å; V171-D173 VanDerWaalsContact O-N 3.15Å; D173-P175 VanDerWaalsContact O-CD 3.22Å; D173-P175 WeakPolarHBondContact O-CD 3.48Å; D173-P175 VanDerWaalsContact O-N 3.12Å
174L96.8Very high97.5Very high9 Ų961.4 Ų61.45%0.04733%0.333CS..PPolyproline II helixtrans-58.4116.8171.4-179.470.5000108.9E2 V5 P25 Q27 W30 L48 V171E2-L174 PolarHBondContact OE1-N 3.03Å; V5-L174 HydrophobicContact CG1-CD1 4.01Å; V5-L174 HydrophobicContact CG2-CD1 4.29Å; P25-L174 HydrophobicContact CB-CD2 4.27Å; Q27-L174 HydrophobicContact CG-CB 4.25Å; Q27-L174 HydrophobicContact CG-CD2 4.16Å; Q27-L174 PolarHBondContact NE2-O 3.49Å; W30-L174 HydrophobicContact CH2-CB 4.35Å; W30-L174 HydrophobicContact CH2-CD2 3.75Å; W30-L174 HydrophobicContact CH2-CG 3.84Å; W30-L174 WeakPolarHBondContact CH2-O 3.44Å; W30-L174 WeakPolarHBondContact CZ2-O 3.48Å; W30-L174 HydrophobicContact CZ3-CD2 4.18Å; L48-L174 HydrophobicContact CD1-CD2 4.41Å; V171-L174 HydrophobicContact CB-CB 4.12Å; V171-L174 HydrophobicContact CG2-CB 3.97Å; V171-L174 HydrophobicContact CG2-CD2 4.14Å; V171-L174 VanDerWaalsContact O-CB 3.28Å; V171-L174 WeakPolarHBondContact O-CB 3.42Å; V171-L174 PolarHBondContact O-N 2.95Å
175P96.4Very high97.5Very high71 Ų7165.3 Ų65.346%0.46136%0.357SS..PPolyproline II helixtrans-73.1130-176.827.6-34.1000110.7D173 R177D173-P175 VanDerWaalsContact O-CD 3.22Å; D173-P175 WeakPolarHBondContact O-CD 3.48Å; D173-P175 VanDerWaalsContact O-N 3.12Å; P175-R177 PolarHBondContact O-N 3.21Å
176P95.5Very high97.5Very high96 Ų9670.6 Ų70.662%0.62338%0.377SS*.PPolyproline II helixtrans-65.3135.5176.126.2-33.1000110.8W30W30-P176 HydrophobicContact CD2-CB 4.44Å; W30-P176 HydrophobicContact CE3-CB 4.5Å; W30-P176 HydrophobicContact CH2-CB 3.91Å; W30-P176 HydrophobicContact CZ2-CB 3.8Å; W30-P176 HydrophobicContact CZ2-CG 4.39Å; W30-P176 HydrophobicContact CZ3-CB 4.25Å
177R95.6Very high97.5Very high197 Ų19774 Ų7474%0.74341%0.405SS*.  trans-111114.5174.3-75.5-176.5161.3-179.8-5.8109.1G125 P175G125-R177 WeakPolarHBondContact CA-O 3.42Å; P175-R177 PolarHBondContact O-N 3.21Å
178K97.4Very high97.5Very high200 Ų20074.8 Ų74.887%0.8741%0.413SS*.PPolyproline II helixtrans-66.5137.8174.7-67-173.6178.7-175.90109.7
179P98.4Very high97.6Very high13 Ų1373.3 Ų73.38%0.08439%0.387CS..PPolyproline II helixtrans-66150.517228.6-32.3000109.8H122 Y128 D181H122-P179 WeakPolarHBondContact NE2-CG 3.43Å; H122-P179 WeakPolarHBondContact O-CD 3.2Å; H122-P179 WeakPolarHBondContact O-CG 3.27Å; Y128-P179 HydrophobicContact CD2-CB 4.37Å; Y128-P179 HydrophobicContact CD2-CG 3.87Å; Y128-P179 HydrophobicContact CG-CG 4.34Å; P179-D181 PolarHBondContact O-N 3.11Å
180H98.4Very high97.7Very high123 Ų12373.6 Ų73.657%0.56939%0.388SS*.PPolyproline II helixtrans-72.2118.5178.9-176.4-154.5000110.5Y128 P152 C182Y128-H180 WeakPolarHBondContact CB-O 3.45Å; P152-H180 HydrophobicContact CB-CB 4.17Å; H180-C182 VanDerWaalsContact C-N 3.25Å; H180-C182 PolarHBondContact O-N 2.89Å
181D98.6Very high97.7Very high53 Ų5371.3 Ų71.328%0.28339%0.387SS..  trans-72.182.7171-175.416.2000110.2Y128 Y130 P179 R189Y128-D181 HydrophobicContact CD2-CB 3.98Å; Y128-D181 HydrophobicContact CE2-CB 4.08Å; Y130-D181 VanDerWaalsContact CE1-OD1 3.29Å; Y130-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y130-D181 WeakPolarHBondContact OH-CA 3.16Å; Y130-D181 PolarHBondContact OH-OD1 3.09Å; P179-D181 PolarHBondContact O-N 3.11Å; D181-R189 IonicContact OD1-NH2 2.66Å; D181-R189 PolarHBondContact OD1-NH2 2.89Å; D181-R189 IonicContact OD2-NH2 3.42Å; D181-R189 PolarHBondContact OD2-NH2 2.99Å
182C98.3Very high97.8Very high22 Ų2271.5 Ų71.515%0.14939%0.388CS..  trans-88.2-6.6-17552.60000113.8Y130 H180 P184 V209Y130-C182 PolarHBondContact OH-N 2.65Å; H180-C182 VanDerWaalsContact C-N 3.25Å; H180-C182 PolarHBondContact O-N 2.89Å; C182-P184 VanDerWaalsContact C-CD 3.48Å; C182-V209 HydrophobicContact CB-CG2 3.73Å; C182-V209 WeakPolarHBondContact O-CG2 3.48Å
183V98.6Very high97.9Very high3 Ų368 Ų682%0.01837%0.366CS..SBendtrans-125.671.4171.7-169.10000109.1Y130 I150 A188 R189 L192 A208 V209Y130-V183 HydrophobicContact CE1-CB 3.94Å; Y130-V183 VanDerWaalsContact CE1-O 3.29Å; Y130-V183 WeakPolarHBondContact CE1-O 3.41Å; Y130-V183 HydrophobicContact CE2-CB 3.97Å; Y130-V183 HydrophobicContact CE2-CG2 4.01Å; Y130-V183 PolarHBondContact OH-N 3.12Å; I150-V183 HydrophobicContact CG2-CG2 4.27Å; V183-A188 HydrophobicContact CG1-CB 3.53Å; V183-R189 HydrophobicContact CG1-CG 4.19Å; V183-R189 VanDerWaalsContact O-CG 3.27Å; V183-R189 WeakPolarHBondContact O-CG 3.47Å; V183-R189 PolarHBondContact O-NE 3.28Å; V183-L192 HydrophobicContact CG1-CD2 4.41Å; V183-L192 HydrophobicContact CG2-CD2 4.32Å; V183-A208 HydrophobicContact CG2-CB 4.14Å; V183-V209 HydrophobicContact CG2-CG2 3.84Å
184P97.9Very high98Very high82 Ų8265 Ų6553%0.53235%0.348SS..  trans-79.8-22.9-166.730.3-36.6000114C182C182-P184 VanDerWaalsContact C-CD 3.48Å
185T98.4Very high98.1Very high82 Ų8265 Ų6550%0.50335%0.349SS..SBendtrans-86.6140.3-172.874.20000111.5A187 A188 R189T185-A187 VanDerWaalsContact C-N 3.29Å; T185-A187 PolarHBondContact O-N 3.23Å; T185-A188 PolarHBondContact O-N 2.96Å; T185-A188 VanDerWaalsContact O-N 3.13Å; T185-A188 WeakPolarHBondContact OG1-CB 3.44Å; T185-A188 PolarHBondContact OG1-N 2.97Å; T185-R189 WeakPolarHBondContact O-CG 3.35Å; T185-R189 PolarHBondContact O-N 3.4Å
186R98.4Very high98.2Very high113 Ų11363.8 Ų63.843%0.42634%0.337SS..Hα-helixtrans-52.5-45.4176.6-177.8-176.9175.2-81.9-2.2112.6V135 E136 A137 A188 R189 I190V135-R186 HydrophobicContact CG1-CG 4.19Å; E136-R186 VanDerWaalsContact O-CZ 3.3Å; E136-R186 PolarHBondContact O-NE 2.8Å; E136-R186 PolarHBondContact O-NH2 3.39Å; A137-R186 PolarHBondContact O-NH2 3Å; R186-A188 PolarHBondContact O-N 2.77Å; R186-R189 PolarHBondContact O-N 3.47Å; R186-I190 HydrophobicContact CG-CD1 4.17Å; R186-I190 VanDerWaalsContact NH1-CD1 3.34Å; R186-I190 WeakPolarHBondContact O-CG1 3.24Å; R186-I190 PolarHBondContact O-N 2.94Å
187A98.5Very high98.3Very high71 Ų7160.9 Ų60.959%0.58732%0.316SS*.Hα-helixtrans-62.2-42.1-179.900000112T185 I190 A191T185-A187 VanDerWaalsContact C-N 3.29Å; T185-A187 PolarHBondContact O-N 3.23Å; A187-I190 PolarHBondContact O-N 2.79Å; A187-A191 PolarHBondContact O-N 3.47Å
188A98.4Very high98.5Very high38 Ų3855.7 Ų55.731%0.31430%0.299SS..Hα-helixtrans-69.6-36.5177.200000112.2V183 T185 R186 A191 L192V183-A188 HydrophobicContact CG1-CB 3.53Å; T185-A188 PolarHBondContact O-N 2.96Å; T185-A188 VanDerWaalsContact O-N 3.13Å; T185-A188 WeakPolarHBondContact OG1-CB 3.44Å; T185-A188 PolarHBondContact OG1-N 2.97Å; R186-A188 PolarHBondContact O-N 2.77Å; A188-A191 PolarHBondContact O-N 3.3Å; A188-L192 VanDerWaalsContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CB 3.39Å; A188-L192 PolarHBondContact O-N 2.86Å
189R98.8Very high98.5Very high36 Ų3651.2 Ų51.214%0.13628%0.281CS..Hα-helixtrans-62.7-40.6173.4-68.1177.8-175.6-177.6-1112.2Y130 D134 V135 D181 V183 T185 R186 L192 L193Y130-R189 HydrophobicContact CD1-CG 3.88Å; Y130-R189 HydrophobicContact CE1-CG 4.15Å; D134-R189 WeakPolarHBondContact O-CD 3.31Å; D134-R189 PolarHBondContact O-NH1 2.94Å; V135-R189 HydrophobicContact CG2-CB 3.66Å; D181-R189 IonicContact OD1-NH2 2.66Å; D181-R189 PolarHBondContact OD1-NH2 2.89Å; D181-R189 IonicContact OD2-NH2 3.42Å; D181-R189 PolarHBondContact OD2-NH2 2.99Å; V183-R189 HydrophobicContact CG1-CG 4.19Å; V183-R189 VanDerWaalsContact O-CG 3.27Å; V183-R189 WeakPolarHBondContact O-CG 3.47Å; V183-R189 PolarHBondContact O-NE 3.28Å; T185-R189 WeakPolarHBondContact O-CG 3.35Å; T185-R189 PolarHBondContact O-N 3.4Å; R186-R189 PolarHBondContact O-N 3.47Å; R189-L192 PolarHBondContact O-N 3.29Å; R189-L193 WeakPolarHBondContact O-CB 3.49Å; R189-L193 WeakPolarHBondContact O-CG 3.41Å; R189-L193 PolarHBondContact O-N 3.13Å
190I98.7Very high98.4Very high24 Ų2455.6 Ų55.612%0.12330%0.296CS..Hα-helixtrans-60.7-53.8173.7-71.4168000110.1V135 P139 W140 R186 A187 L192 L193 E194V135-I190 HydrophobicContact CG1-CD1 3.86Å; V135-I190 HydrophobicContact CG1-CG1 3.53Å; V135-I190 HydrophobicContact CG2-CG1 4.29Å; P139-I190 HydrophobicContact CG-CG2 4.45Å; W140-I190 HydrophobicContact CH2-CG1 4.14Å; W140-I190 HydrophobicContact CZ2-CB 4.26Å; W140-I190 HydrophobicContact CZ2-CG1 4.11Å; W140-I190 HydrophobicContact CZ2-CG2 4.08Å; R186-I190 HydrophobicContact CG-CD1 4.17Å; R186-I190 VanDerWaalsContact NH1-CD1 3.34Å; R186-I190 WeakPolarHBondContact O-CG1 3.24Å; R186-I190 PolarHBondContact O-N 2.94Å; A187-I190 PolarHBondContact O-N 2.79Å; I190-L192 VanDerWaalsContact C-N 3.27Å; I190-L192 PolarHBondContact O-N 2.98Å; I190-L193 PolarHBondContact O-N 3.49Å; I190-L193 VanDerWaalsContact O-N 3.16Å; I190-E194 HydrophobicContact CG2-CG 4.31Å; I190-E194 WeakPolarHBondContact O-CB 3.4Å; I190-E194 WeakPolarHBondContact O-CG 3.4Å; I190-E194 PolarHBondContact O-N 3.29Å
191A98.7Very high98.4Very high58 Ų5858.2 Ų58.248%0.47930%0.301SS..Hα-helixtrans-58.8-39.2-179.800000112.4A187 A188 G195A187-A191 PolarHBondContact O-N 3.47Å; A188-A191 PolarHBondContact O-N 3.3Å; A191-G195 PolarHBondContact O-N 3.48Å
192L98.8Very high98.3Very high4 Ų459.6 Ų59.62%0.02131%0.308CS..Hα-helixtrans-61.6-50.9174.7167.961.6000111.9Y130 V148 I150 V183 A188 R189 I190 G195 F196 Y205 A208Y130-L192 HydrophobicContact CD2-CD2 3.63Å; Y130-L192 HydrophobicContact CE2-CD2 4.36Å; Y130-L192 HydrophobicContact CG-CD2 3.82Å; V148-L192 HydrophobicContact CG1-CD1 3.67Å; V148-L192 HydrophobicContact CG1-CD2 3.92Å; V148-L192 HydrophobicContact CG1-CG 3.63Å; I150-L192 HydrophobicContact CD1-CD1 3.69Å; I150-L192 HydrophobicContact CD1-CD2 4.4Å; I150-L192 HydrophobicContact CG1-CD1 3.91Å; I150-L192 HydrophobicContact CG1-CD2 3.67Å; I150-L192 HydrophobicContact CG1-CG 4.45Å; V183-L192 HydrophobicContact CG1-CD2 4.41Å; V183-L192 HydrophobicContact CG2-CD2 4.32Å; A188-L192 VanDerWaalsContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CB 3.39Å; A188-L192 PolarHBondContact O-N 2.86Å; R189-L192 PolarHBondContact O-N 3.29Å; I190-L192 VanDerWaalsContact C-N 3.27Å; I190-L192 PolarHBondContact O-N 2.98Å; L192-G195 PolarHBondContact O-N 3.38Å; L192-F196 WeakPolarHBondContact O-CB 3.27Å; L192-F196 PolarHBondContact O-N 2.9Å; L192-Y205 HydrophobicContact CD1-CD2 4.32Å; L192-A208 HydrophobicContact CB-CB 4.46Å; L192-A208 HydrophobicContact CD1-CB 3.87Å
193L98.8Very high98.3Very high1 Ų159.9 Ų59.91%0.00531%0.306CS..Hα-helixtrans-67.5-37.9-177.5-72.6169.4000111.6V135 W140 I145 V148 R189 I190 F196 N197V135-L193 HydrophobicContact CG2-CD1 4.05Å; W140-L193 HydrophobicContact CH2-CB 3.98Å; W140-L193 HydrophobicContact CH2-CD1 3.5Å; W140-L193 VanDerWaalsContact CH2-CD1 3.5Å; W140-L193 HydrophobicContact CH2-CG 4.38Å; W140-L193 HydrophobicContact CZ2-CB 3.94Å; W140-L193 HydrophobicContact CZ2-CD1 4.32Å; W140-L193 HydrophobicContact CZ3-CD1 4.01Å; I145-L193 HydrophobicContact CG2-CB 4.18Å; I145-L193 HydrophobicContact CG2-CD2 4.33Å; V148-L193 HydrophobicContact CG1-CD2 4.22Å; R189-L193 WeakPolarHBondContact O-CB 3.49Å; R189-L193 WeakPolarHBondContact O-CG 3.41Å; R189-L193 PolarHBondContact O-N 3.13Å; I190-L193 PolarHBondContact O-N 3.49Å; I190-L193 VanDerWaalsContact O-N 3.16Å; L193-F196 PolarHBondContact O-N 3.39Å; L193-N197 WeakPolarHBondContact O-CB 3.26Å; L193-N197 PolarHBondContact O-N 2.98Å; L193-N197 PolarHBondContact O-ND2 3.07Å
194E98.6Very high98.3Very high69 Ų6963.5 Ų63.532%0.32233%0.328SS..Hα-helixtrans-66.2-46173.3-70.3-177.8170.300111.6W140 I190 F196 N197 F198W140-E194 HydrophobicContact CZ2-CG 4.29Å; W140-E194 PolarHBondContact NE1-OE1 3.22Å; I190-E194 HydrophobicContact CG2-CG 4.31Å; I190-E194 WeakPolarHBondContact O-CB 3.4Å; I190-E194 WeakPolarHBondContact O-CG 3.4Å; I190-E194 PolarHBondContact O-N 3.29Å; E194-F196 VanDerWaalsContact C-N 3.28Å; E194-F196 PolarHBondContact O-N 3.29Å; E194-N197 PolarHBondContact O-N 3Å; E194-F198 HydrophobicContact CB-CD2 4.03Å; E194-F198 HydrophobicContact CB-CE2 4.35Å; E194-F198 HydrophobicContact CG-CD2 4.21Å; E194-F198 HydrophobicContact CG-CE2 4.06Å; E194-F198 WeakPolarHBondContact O-CB 3.06Å; E194-F198 PolarHBondContact O-N 3.34Å
195G98.7Very high98.3Very high8 Ų860.5 Ų60.58%0.08231%0.307CS..Hα-helixtrans-56.4-43.5175.100000112A191 L192 H199 W200A191-G195 PolarHBondContact O-N 3.48Å; L192-G195 PolarHBondContact O-N 3.38Å; G195-H199 CarbonylContact O-C 3.52Å; G195-H199 VanDerWaalsContact O-CA 3.31Å; G195-H199 WeakPolarHBondContact O-CA 3.19Å; G195-H199 PolarHBondContact O-N 2.86Å; G195-W200 PolarHBondContact O-N 3.14Å
196F98.7Very high98.3Very high46 Ų4658.1 Ų58.120%0.20229%0.288CS..Hα-helixtrans-70.3-44178-179.3-113.2000113.1G147 V148 L192 L193 E194 W200 Y205G147-F196 VanDerWaalsContact O-CE1 3.31Å; G147-F196 WeakPolarHBondContact O-CE1 3.34Å; V148-F196 HydrophobicContact CB-CB 4.22Å; V148-F196 HydrophobicContact CB-CD1 3.8Å; V148-F196 HydrophobicContact CB-CD2 4.1Å; V148-F196 HydrophobicContact CB-CE1 4.15Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CB-CG 3.77Å; V148-F196 HydrophobicContact CB-CZ 4.45Å; V148-F196 HydrophobicContact CG1-CB 4.17Å; V148-F196 HydrophobicContact CG1-CD1 4.46Å; V148-F196 HydrophobicContact CG1-CG 4.26Å; V148-F196 HydrophobicContact CG2-CB 4.44Å; V148-F196 HydrophobicContact CG2-CD1 4.36Å; V148-F196 HydrophobicContact CG2-CD2 3.75Å; V148-F196 HydrophobicContact CG2-CE2 4.02Å; V148-F196 HydrophobicContact CG2-CG 3.93Å; V148-F196 HydrophobicContact CG2-CZ 4.43Å; L192-F196 WeakPolarHBondContact O-CB 3.27Å; L192-F196 PolarHBondContact O-N 2.9Å; L193-F196 PolarHBondContact O-N 3.39Å; E194-F196 VanDerWaalsContact C-N 3.28Å; E194-F196 PolarHBondContact O-N 3.29Å; F196-W200 WeakPolarHBondContact O-CB 3.26Å; F196-Y205 HydrophobicContact CB-CD2 4.14Å; F196-Y205 HydrophobicContact CB-CG 4.19Å; F196-Y205 HydrophobicContact CD2-CD1 4.43Å; F196-Y205 AromaticContact CD2-CD2 3.92Å; F196-Y205 HydrophobicContact CD2-CD2 3.92Å; F196-Y205 HydrophobicContact CD2-CE1 4.09Å; F196-Y205 AromaticContact CD2-CE2 3.56Å; F196-Y205 HydrophobicContact CD2-CE2 3.56Å; F196-Y205 HydrophobicContact CD2-CG 4.33Å; F196-Y205 AromaticContact CD2-CZ 3.62Å; F196-Y205 HydrophobicContact CE2-CE2 4.19Å; F196-Y205 HydrophobicContact CG-CD2 4.48Å
197N98.6Very high98.3Very high35 Ų3555.7 Ų55.719%0.18728%0.284CS..Hα-helixtrans-80.9-33.6-173.3-76.2-89.1000112.8S146 L193 E194S146-N197 WeakPolarHBondContact CB-OD1 3.15Å; S146-N197 PolarHBondContact N-OD1 3.29Å; S146-N197 PolarHBondContact O-ND2 2.71Å; L193-N197 WeakPolarHBondContact O-CB 3.26Å; L193-N197 PolarHBondContact O-N 2.98Å; L193-N197 PolarHBondContact O-ND2 3.07Å; E194-N197 PolarHBondContact O-N 3Å
198F98.1Very high98.3Very high88 Ų8854.4 Ų54.439%0.38627%0.273SS..Hα-helixtrans-111.5-24.2-171.1-50.2-44000113.5I145 E194I145-F198 HydrophobicContact CD1-CE2 4.49Å; I145-F198 HydrophobicContact CD1-CZ 3.76Å; E194-F198 HydrophobicContact CB-CD2 4.03Å; E194-F198 HydrophobicContact CB-CE2 4.35Å; E194-F198 HydrophobicContact CG-CD2 4.21Å; E194-F198 HydrophobicContact CG-CE2 4.06Å; E194-F198 WeakPolarHBondContact O-CB 3.06Å; E194-F198 PolarHBondContact O-N 3.34Å
199H97.9Very high98.3Very high106 Ų10654 Ų5449%0.49127%0.266SS..  trans-12913.5-169.4-55.4-64.9000114.4G195 R201 D202G195-H199 CarbonylContact O-C 3.52Å; G195-H199 VanDerWaalsContact O-CA 3.31Å; G195-H199 WeakPolarHBondContact O-CA 3.19Å; G195-H199 PolarHBondContact O-N 2.86Å; H199-R201 PolarHBondContact O-N 2.74Å; H199-D202 PolarHBondContact O-N 3.31Å
200W97.5Very high98.2Very high106 Ų10658.1 Ų58.140%0.40230%0.296SS..G310 helixtrans-54.5-24.6-171.862.3-94.7000116.1G195 F196 D202 W203 Y205G195-W200 PolarHBondContact O-N 3.14Å; F196-W200 WeakPolarHBondContact O-CB 3.26Å; W200-D202 VanDerWaalsContact C-N 3.27Å; W200-D202 PolarHBondContact O-N 3.09Å; W200-W203 PolarHBondContact O-N 2.69Å; W200-Y205 HydrophobicContact CB-CD1 4.16Å; W200-Y205 HydrophobicContact CB-CE1 3.83Å
201R96.6Very high98.2Very high177 Ų17757.5 Ų57.567%0.66829%0.294SS*.G310 helixtrans-69.2-21.7179.7-70.4-176.7177.283.5-2.9113.5H199 W203H199-R201 PolarHBondContact O-N 2.74Å; R201-W203 VanDerWaalsContact C-N 3.32Å; R201-W203 VanDerWaalsContact O-CD1 3.23Å; R201-W203 PolarHBondContact O-NE1 2.86Å; R201-W203 VanDerWaalsContact O-NE1 3.09Å
202D97.5Very high98.2Very high82 Ų8261.3 Ų61.344%0.43930%0.301SS..G310 helixtrans-87.3-4.1176.772.919.7000113.4H199 W200 T204H199-D202 PolarHBondContact O-N 3.31Å; W200-D202 VanDerWaalsContact C-N 3.27Å; W200-D202 PolarHBondContact O-N 3.09Å; D202-T204 HydrophobicContact CB-CG2 4.39Å; D202-T204 PolarHBondContact O-N 3.45Å; D202-T204 VanDerWaalsContact O-N 3.14Å; D202-T204 VanDerWaalsContact OD1-CB 3.29Å; D202-T204 WeakPolarHBondContact OD1-CB 3.45Å; D202-T204 VanDerWaalsContact OD1-CG2 3.3Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.42Å; D202-T204 PolarHBondContact OD1-N 3.41Å; D202-T204 PolarHBondContact OD1-OG1 3.06Å
203W98.3Very high98.2Very high29 Ų2965.3 Ų65.311%0.1132%0.32CS..  trans69.4-6.4177.4-48.283.8000115.8W157 W200 R201 Y205 R206 Y215 F223 S224W157-W203 HydrophobicContact CH2-CB 3.7Å; W157-W203 HydrophobicContact CH2-CD2 4.43Å; W157-W203 HydrophobicContact CH2-CE3 4.21Å; W157-W203 HydrophobicContact CH2-CG 4.21Å; W157-W203 HydrophobicContact CZ2-CB 4.18Å; W157-W203 HydrophobicContact CZ3-CB 4.45Å; W157-W203 HydrophobicContact CZ3-CD2 4.4Å; W157-W203 AromaticContact CZ3-CE3 3.81Å; W157-W203 HydrophobicContact CZ3-CE3 3.81Å; W200-W203 PolarHBondContact O-N 2.69Å; R201-W203 VanDerWaalsContact C-N 3.32Å; R201-W203 VanDerWaalsContact O-CD1 3.23Å; R201-W203 PolarHBondContact O-NE1 2.86Å; R201-W203 VanDerWaalsContact O-NE1 3.09Å; W203-Y205 VanDerWaalsContact C-N 3.3Å; W203-Y205 PolarHBondContact O-N 3.48Å; W203-R206 VanDerWaalsContact O-CB 3.27Å; W203-R206 WeakPolarHBondContact O-CB 3.31Å; W203-R206 WeakPolarHBondContact O-CG 3.3Å; W203-R206 PolarHBondContact O-N 3.14Å; W203-Y215 HydrophobicContact CZ3-CD2 4.31Å; W203-F223 HydrophobicContact CH2-CB 3.74Å; W203-S224 WeakPolarHBondContact CZ2-OG 3.38Å
204T98.2Very high98.2Very high78 Ų7870.7 Ų70.748%0.47934%0.34SS..G310 helixtrans-62-33.5-169.958.90000113.6D202 R206 D207D202-T204 HydrophobicContact CB-CG2 4.39Å; D202-T204 PolarHBondContact O-N 3.45Å; D202-T204 VanDerWaalsContact O-N 3.14Å; D202-T204 VanDerWaalsContact OD1-CB 3.29Å; D202-T204 WeakPolarHBondContact OD1-CB 3.45Å; D202-T204 VanDerWaalsContact OD1-CG2 3.3Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.42Å; D202-T204 PolarHBondContact OD1-N 3.41Å; D202-T204 PolarHBondContact OD1-OG1 3.06Å; T204-R206 PolarHBondContact O-N 3.2Å; T204-D207 PolarHBondContact O-N 3.41Å
205Y98.7Very high98.1Very high20 Ų2067.9 Ų67.98%0.07833%0.327CS..G310 helixtrans-58.4-25.1176.983.6-90.4000112.9V148 L192 F196 W200 W203 D207 A208V148-Y205 HydrophobicContact CG2-CD2 4.13Å; V148-Y205 HydrophobicContact CG2-CE2 3.85Å; L192-Y205 HydrophobicContact CD1-CD2 4.32Å; F196-Y205 HydrophobicContact CB-CD2 4.14Å; F196-Y205 HydrophobicContact CB-CG 4.19Å; F196-Y205 HydrophobicContact CD2-CD1 4.43Å; F196-Y205 AromaticContact CD2-CD2 3.92Å; F196-Y205 HydrophobicContact CD2-CD2 3.92Å; F196-Y205 HydrophobicContact CD2-CE1 4.09Å; F196-Y205 AromaticContact CD2-CE2 3.56Å; F196-Y205 HydrophobicContact CD2-CE2 3.56Å; F196-Y205 HydrophobicContact CD2-CG 4.33Å; F196-Y205 AromaticContact CD2-CZ 3.62Å; F196-Y205 HydrophobicContact CE2-CE2 4.19Å; F196-Y205 HydrophobicContact CG-CD2 4.48Å; W200-Y205 HydrophobicContact CB-CD1 4.16Å; W200-Y205 HydrophobicContact CB-CE1 3.83Å; W203-Y205 VanDerWaalsContact C-N 3.3Å; W203-Y205 PolarHBondContact O-N 3.48Å; Y205-D207 PolarHBondContact O-N 3.16Å; Y205-A208 WeakPolarHBondContact O-CB 3.29Å; Y205-A208 PolarHBondContact O-N 3.14Å
206R98.6Very high98.1Very high32 Ų3269.6 Ų69.612%0.12134%0.337CS..G310 helixtrans-71.5-16.7179.5-57.5-175.9-174.1-95.14.3112.3G155 G156 W157 W203 T204G155-R206 CarbonylContact C-O 3.08Å; G155-R206 WeakPolarHBondContact CA-O 3.44Å; G156-R206 PolarHBondContact N-O 3.35Å; G156-R206 WeakPolarHBondContact O-CD 3.29Å; G156-R206 PolarHBondContact O-NH1 3.14Å; W157-R206 HydrophobicContact CD2-CB 3.92Å; W157-R206 HydrophobicContact CG-CB 4.02Å; W157-R206 HydrophobicContact CZ2-CB 4.17Å; W203-R206 VanDerWaalsContact O-CB 3.27Å; W203-R206 WeakPolarHBondContact O-CB 3.31Å; W203-R206 WeakPolarHBondContact O-CG 3.3Å; W203-R206 PolarHBondContact O-N 3.14Å; T204-R206 PolarHBondContact O-N 3.2Å
207D98.6Very high98Very high62 Ų6273.8 Ų73.833%0.33236%0.357SS..G310 helixtrans-96.215.5178-68.6-39.8000113.4W157 T204 Y205 V209 P211 R214W157-D207 PolarHBondContact NE1-OD1 2.86Å; T204-D207 PolarHBondContact O-N 3.41Å; Y205-D207 PolarHBondContact O-N 3.16Å; D207-V209 CarbonylContact C-O 3.6Å; D207-V209 PolarHBondContact O-N 2.98Å; D207-P211 WeakPolarHBondContact OD1-CG 3.23Å; D207-R214 VanDerWaalsContact CG-NH2 3.33Å; D207-R214 IonicContact OD1-CZ 4Å; D207-R214 IonicContact OD1-NE 2.74Å; D207-R214 PolarHBondContact OD1-NE 3.26Å; D207-R214 IonicContact OD1-NH2 3.36Å; D207-R214 PolarHBondContact OD1-NH2 2.95Å; D207-R214 IonicContact OD2-CZ 2.7Å; D207-R214 IonicContact OD2-NE 2.79Å; D207-R214 PolarHBondContact OD2-NE 3.41Å; D207-R214 IonicContact OD2-NH2 3.72Å
208A97.9Very high97.9Very high43 Ų4377.3 Ų77.336%0.35537%0.373SS..SBendtrans-55.4-24174.800000113.5I150 V183 L192 Y205I150-A208 HydrophobicContact CD1-CB 4.37Å; V183-A208 HydrophobicContact CG2-CB 4.14Å; L192-A208 HydrophobicContact CB-CB 4.46Å; L192-A208 HydrophobicContact CD1-CB 3.87Å; Y205-A208 WeakPolarHBondContact O-CB 3.29Å; Y205-A208 PolarHBondContact O-N 3.14Å
209V97.6Very high97.8Very high29 Ų2973.2 Ų73.218%0.17636%0.355CS..SBendtrans-126.4142.1164.8178.20000106.8I150 C182 V183 D207 P211I150-V209 HydrophobicContact CG2-CB 4.35Å; I150-V209 HydrophobicContact CG2-CG2 3.8Å; C182-V209 HydrophobicContact CB-CG2 3.73Å; C182-V209 WeakPolarHBondContact O-CG2 3.48Å; V183-V209 HydrophobicContact CG2-CG2 3.84Å; D207-V209 CarbonylContact C-O 3.6Å; D207-V209 PolarHBondContact O-N 2.98Å; V209-P211 WeakPolarHBondContact O-CD 3.37Å; V209-P211 VanDerWaalsContact O-N 3.08Å
210T98.2Very high97.8Very high124 Ų12470.2 Ų70.276%0.76134%0.341SS*.  trans-60.5112.1176.5-53.40000110.2
211P98Very high97.6Very high11 Ų1167.8 Ų67.87%0.07134%0.343CS..  trans-78.9143.6-176.934.1-35.5000110.8R153 D207 V209 R214R153-P211 WeakPolarHBondContact O-CA 3.35Å; D207-P211 WeakPolarHBondContact OD1-CG 3.23Å; V209-P211 WeakPolarHBondContact O-CD 3.37Å; V209-P211 VanDerWaalsContact O-N 3.08Å; P211-R214 HydrophobicContact CB-CG 4.36Å; P211-R214 VanDerWaalsContact CD-NH2 3.3Å; P211-R214 HydrophobicContact CG-CG 3.55Å
212Q98.2Very high97.5Very high137 Ų13759.8 Ų59.864%0.6431%0.313SS*.SBendtrans-64.4-34.4169.3-67.6-176.8-4.800111.2R153R153-Q212 HydrophobicContact CB-CG 4.39Å; R153-Q212 WeakPolarHBondContact O-CB 3.33Å; R153-Q212 PolarHBondContact O-N 2.85Å
213E98.1Very high97.3Very high89 Ų8957.8 Ų57.842%0.41630%0.3SS..  trans-147.3141.2-179.6-170.9179.5179.600109.5P56 F154P56-E213 HydrophobicContact CB-CG 3.9Å; P56-E213 HydrophobicContact CG-CB 4.21Å; P56-E213 HydrophobicContact CG-CG 4.03Å; F154-E213 HydrophobicContact CD1-CB 4.33Å; F154-E213 HydrophobicContact CE1-CB 4.25Å
214R98.6Very high97Very high114 Ų11459.8 Ų59.843%0.4332%0.319SS..  trans-111.1165174.3-64.5-172.1172.578.10.2109.7W157 D207 P211 S216W157-R214 HydrophobicContact CD2-CB 3.94Å; W157-R214 HydrophobicContact CD2-CG 4.06Å; W157-R214 HydrophobicContact CE3-CB 4.3Å; W157-R214 HydrophobicContact CG-CB 4.25Å; W157-R214 HydrophobicContact CG-CG 4.16Å; W157-R214 HydrophobicContact CZ2-CB 4.36Å; W157-R214 HydrophobicContact CZ2-CG 4.19Å; D207-R214 VanDerWaalsContact CG-NH2 3.33Å; D207-R214 IonicContact OD1-CZ 4Å; D207-R214 IonicContact OD1-NE 2.74Å; D207-R214 PolarHBondContact OD1-NE 3.26Å; D207-R214 IonicContact OD1-NH2 3.36Å; D207-R214 PolarHBondContact OD1-NH2 2.95Å; D207-R214 IonicContact OD2-CZ 2.7Å; D207-R214 IonicContact OD2-NE 2.79Å; D207-R214 PolarHBondContact OD2-NE 3.41Å; D207-R214 IonicContact OD2-NH2 3.72Å; P211-R214 HydrophobicContact CB-CG 4.36Å; P211-R214 VanDerWaalsContact CD-NH2 3.3Å; P211-R214 HydrophobicContact CG-CG 3.55Å; R214-S216 PolarHBondContact O-N 2.76Å
215Y98.6Very high96.6Very high10 Ų1057.3 Ų57.34%0.03930%0.304CS..  trans-60.2138165.5-65.8-5.1000109.7P56 W157 F158 W203 Q219 F223P56-Y215 HydrophobicContact CB-CD1 3.76Å; P56-Y215 HydrophobicContact CB-CE1 4.2Å; P56-Y215 HydrophobicContact CG-CD1 3.86Å; P56-Y215 HydrophobicContact CG-CE1 4.05Å; W157-Y215 HydrophobicContact CB-CD1 4.32Å; W157-Y215 HydrophobicContact CB-CE1 4.36Å; W157-Y215 HydrophobicContact CE3-CD1 4.05Å; W157-Y215 AromaticContact CE3-CD2 3.84Å; W157-Y215 HydrophobicContact CE3-CD2 3.84Å; W157-Y215 AromaticContact CE3-CG 3.56Å; W157-Y215 HydrophobicContact CE3-CG 3.56Å; W157-Y215 HydrophobicContact CZ3-CD2 4.13Å; W157-Y215 HydrophobicContact CZ3-CG 4.03Å; W157-Y215 VanDerWaalsContact O-CE1 3.29Å; W157-Y215 WeakPolarHBondContact O-CE1 3.4Å; F158-Y215 VanDerWaalsContact C-OH 3.28Å; F158-Y215 WeakPolarHBondContact CA-OH 3.46Å; F158-Y215 PolarHBondContact O-OH 2.86Å; W203-Y215 HydrophobicContact CZ3-CD2 4.31Å; Y215-Q219 VanDerWaalsContact CA-OE1 3.25Å; Y215-Q219 VanDerWaalsContact CD1-CD 3.44Å; Y215-Q219 HydrophobicContact CD1-CG 4.4Å; Y215-Q219 HydrophobicContact CD2-CG 3.98Å; Y215-Q219 HydrophobicContact CG-CG 3.81Å; Y215-F223 HydrophobicContact CD2-CD2 4.04Å; Y215-F223 HydrophobicContact CD2-CE2 4.34Å; Y215-F223 AromaticContact CE2-CD2 3.99Å; Y215-F223 HydrophobicContact CE2-CD2 3.99Å; Y215-F223 HydrophobicContact CE2-CE2 4.06Å
216S97.7Very high96.1Very high43 Ų4359.4 Ų59.430%0.30132%0.32SS..  trans-62.1161.3173.568.60000110.8R214 E218 Q219 K220R214-S216 PolarHBondContact O-N 2.76Å; S216-E218 PolarHBondContact O-N 3.37Å; S216-Q219 PolarHBondContact O-N 3.19Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; S216-Q219 WeakPolarHBondContact OG-CB 3.13Å; S216-Q219 PolarHBondContact OG-N 3.2Å; S216-Q219 VanDerWaalsContact OG-N 3.16Å; S216-K220 WeakPolarHBondContact O-CG 3.35Å; S216-K220 PolarHBondContact O-N 2.86Å
217E97.5Very high95.4Very high134 Ų13461.7 Ų61.763%0.62634%0.339SS*.Hα-helixtrans-60-33.7176.3-66.7-53.6129.300112.1K220 A221E217-K220 PolarHBondContact O-N 3.27Å; E217-K220 IonicContact OE1-NZ 2.8Å; E217-K220 PolarHBondContact OE1-NZ 3.4Å; E217-K220 IonicContact OE2-NZ 3.28Å; E217-K220 PolarHBondContact OE2-NZ 2.89Å; E217-A221 WeakPolarHBondContact O-CB 3.29Å; E217-A221 PolarHBondContact O-N 3.16Å
218E95.1Very high94.6Very high109 Ų10963.5 Ų63.551%0.50936%0.362SS..Hα-helixtrans-64.2-46.4173.1-173.7-174.3176.400111.8F59 K64 S216 K220 A221 Y222F59-E218 HydrophobicContact CE1-CG 4.1Å; F59-E218 HydrophobicContact CZ-CG 4.42Å; K64-E218 WeakPolarHBondContact CE-OE1 3.47Å; K64-E218 WeakPolarHBondContact CE-OE2 3.41Å; K64-E218 VanDerWaalsContact NZ-CD 3.28Å; K64-E218 IonicContact NZ-OE1 3.6Å; K64-E218 PolarHBondContact NZ-OE1 3.15Å; K64-E218 IonicContact NZ-OE2 2.85Å; K64-E218 PolarHBondContact NZ-OE2 3.24Å; S216-E218 PolarHBondContact O-N 3.37Å; E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.85Å; E218-A221 PolarHBondContact O-N 3.48Å; E218-Y222 WeakPolarHBondContact O-CB 3.37Å; E218-Y222 PolarHBondContact O-N 2.93Å
219Q96.9Very high93.9Very high3 Ų366.8 Ų66.81%0.01437%0.37CS..Hα-helixtrans-63.9-39.3177-177.6177.211.500111.5P56 F59 Y215 S216 Y222 F223P56-Q219 PolarHBondContact O-NE2 2.89Å; P56-Q219 PolarHBondContact O-OE1 2.98Å; F59-Q219 HydrophobicContact CB-CB 4.34Å; F59-Q219 VanDerWaalsContact CB-CD 3.42Å; F59-Q219 HydrophobicContact CB-CG 3.81Å; F59-Q219 HydrophobicContact CD1-CB 3.74Å; F59-Q219 HydrophobicContact CD1-CG 4.08Å; F59-Q219 HydrophobicContact CD2-CB 4.19Å; F59-Q219 HydrophobicContact CD2-CG 3.78Å; F59-Q219 HydrophobicContact CE1-CB 3.99Å; F59-Q219 HydrophobicContact CE2-CB 4.44Å; F59-Q219 HydrophobicContact CE2-CG 4.36Å; F59-Q219 HydrophobicContact CG-CB 3.84Å; F59-Q219 HydrophobicContact CG-CG 3.62Å; F59-Q219 HydrophobicContact CZ-CB 4.35Å; Y215-Q219 VanDerWaalsContact CA-OE1 3.25Å; Y215-Q219 VanDerWaalsContact CD1-CD 3.44Å; Y215-Q219 HydrophobicContact CD1-CG 4.4Å; Y215-Q219 HydrophobicContact CD2-CG 3.98Å; Y215-Q219 HydrophobicContact CG-CG 3.81Å; S216-Q219 PolarHBondContact O-N 3.19Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; S216-Q219 WeakPolarHBondContact OG-CB 3.13Å; S216-Q219 PolarHBondContact OG-N 3.2Å; S216-Q219 VanDerWaalsContact OG-N 3.16Å; Q219-Y222 PolarHBondContact O-N 3.07Å; Q219-F223 HydrophobicContact CG-CD2 3.7Å; Q219-F223 HydrophobicContact CG-CE2 3.52Å; Q219-F223 WeakPolarHBondContact O-CD2 3.43Å; Q219-F223 PolarHBondContact O-N 3.3Å
220K96.8Very high93.3Very high43 Ų4366.6 Ų66.619%0.18737%0.366CS..Hα-helixtrans-62.8-43.9172.8-71.7166.664.6-157.60111.6W157 S216 E217 E218 Y222 F223 S224W157-K220 HydrophobicContact CH2-CD 4.05Å; W157-K220 HydrophobicContact CH2-CG 4.37Å; W157-K220 HydrophobicContact CZ3-CD 4.1Å; W157-K220 HydrophobicContact CZ3-CG 3.98Å; S216-K220 WeakPolarHBondContact O-CG 3.35Å; S216-K220 PolarHBondContact O-N 2.86Å; E217-K220 PolarHBondContact O-N 3.27Å; E217-K220 IonicContact OE1-NZ 2.8Å; E217-K220 PolarHBondContact OE1-NZ 3.4Å; E217-K220 IonicContact OE2-NZ 3.28Å; E217-K220 PolarHBondContact OE2-NZ 2.89Å; E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.85Å; K220-Y222 VanDerWaalsContact C-N 3.33Å; K220-Y222 PolarHBondContact O-N 2.8Å; K220-F223 PolarHBondContact O-N 3.05Å; K220-S224 VanDerWaalsContact O-CB 3.23Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 2.86Å; K220-S224 PolarHBondContact O-OG 3.07Å
221A93.8Very high92.2Very high55 Ų5562.7 Ų62.746%0.45534%0.341SS..Hα-helixtrans-61.6-43.217600000111.2E217 E218 S224 T225E217-A221 WeakPolarHBondContact O-CB 3.29Å; E217-A221 PolarHBondContact O-N 3.16Å; E218-A221 PolarHBondContact O-N 3.48Å; A221-S224 PolarHBondContact O-N 3.35Å; A221-T225 PolarHBondContact O-N 2.94Å; A221-T225 VanDerWaalsContact O-N 3.14Å; A221-T225 PolarHBondContact O-OG1 3.44Å
222Y93.7Very high91.2Very high8 Ų864.8 Ų64.83%0.03136%0.359CS..Hα-helixtrans-59.7-50.2175.9-177.1-88.4000112.1F59 L63 V79 E218 Q219 K220 T225 R230 L233 L234F59-Y222 AromaticContact CE2-CD1 3.8Å; F59-Y222 HydrophobicContact CE2-CD1 3.8Å; F59-Y222 HydrophobicContact CE2-CD2 4.1Å; F59-Y222 HydrophobicContact CE2-CE1 4.45Å; F59-Y222 AromaticContact CE2-CG 3.6Å; F59-Y222 HydrophobicContact CE2-CG 3.6Å; F59-Y222 HydrophobicContact CZ-CD2 4.37Å; F59-Y222 HydrophobicContact CZ-CG 4.07Å; L63-Y222 HydrophobicContact CD2-CE1 3.98Å; V79-Y222 HydrophobicContact CG2-CE1 3.66Å; E218-Y222 WeakPolarHBondContact O-CB 3.37Å; E218-Y222 PolarHBondContact O-N 2.93Å; Q219-Y222 PolarHBondContact O-N 3.07Å; K220-Y222 VanDerWaalsContact C-N 3.33Å; K220-Y222 PolarHBondContact O-N 2.8Å; Y222-T225 VanDerWaalsContact O-CB 3.29Å; Y222-T225 WeakPolarHBondContact O-CB 3.37Å; Y222-T225 PolarHBondContact O-N 2.86Å; Y222-T225 VanDerWaalsContact O-N 3.16Å; Y222-R230 HydrophobicContact CE1-CG 4.46Å; Y222-R230 HydrophobicContact CE2-CB 4.29Å; Y222-R230 HydrophobicContact CE2-CG 4.38Å; Y222-L233 HydrophobicContact CD2-CD2 4.39Å; Y222-L234 HydrophobicContact CE2-CD1 4.11Å; Y222-L234 HydrophobicContact CE2-CD2 4.16Å; Y222-L234 HydrophobicContact CE2-CG 4.25Å
223F94.3Very high90.1Very high40 Ų4063.2 Ų63.218%0.17535%0.354CS..Hα-helixtrans-75.6-24.2-178.2-73.5-59.3000114.1F59 V79 W203 Y215 Q219 K220 T225F59-F223 HydrophobicContact CD2-CE2 4.44Å; V79-F223 HydrophobicContact CG2-CE1 3.98Å; V79-F223 HydrophobicContact CG2-CZ 4.4Å; W203-F223 HydrophobicContact CH2-CB 3.74Å; Y215-F223 HydrophobicContact CD2-CD2 4.04Å; Y215-F223 HydrophobicContact CD2-CE2 4.34Å; Y215-F223 AromaticContact CE2-CD2 3.99Å; Y215-F223 HydrophobicContact CE2-CD2 3.99Å; Y215-F223 HydrophobicContact CE2-CE2 4.06Å; Q219-F223 HydrophobicContact CG-CD2 3.7Å; Q219-F223 HydrophobicContact CG-CE2 3.52Å; Q219-F223 WeakPolarHBondContact O-CD2 3.43Å; Q219-F223 PolarHBondContact O-N 3.3Å; K220-F223 PolarHBondContact O-N 3.05Å; F223-T225 PolarHBondContact O-N 3.31Å
224S92.4Very high88.7Confident72 Ų7261.8 Ų61.850%0.50335%0.349SS..Hα-helixtrans-69.9-22.2169.7-58.40000112.1W203 K220 A221W203-S224 WeakPolarHBondContact CZ2-OG 3.38Å; K220-S224 VanDerWaalsContact O-CB 3.23Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 2.86Å; K220-S224 PolarHBondContact O-OG 3.07Å; A221-S224 PolarHBondContact O-N 3.35Å
225T89.9Confident87.2Confident25 Ų2559.4 Ų59.415%0.15336%0.36CS..SBendtrans-75.3127.3175.4-57.10000109.9A221 Y222 F223 Q229 R230 L233A221-T225 PolarHBondContact O-N 2.94Å; A221-T225 VanDerWaalsContact O-N 3.14Å; A221-T225 PolarHBondContact O-OG1 3.44Å; Y222-T225 VanDerWaalsContact O-CB 3.29Å; Y222-T225 WeakPolarHBondContact O-CB 3.37Å; Y222-T225 PolarHBondContact O-N 2.86Å; Y222-T225 VanDerWaalsContact O-N 3.16Å; F223-T225 PolarHBondContact O-N 3.31Å; T225-Q229 HydrophobicContact CG2-CB 3.76Å; T225-R230 HydrophobicContact CG2-CG 4.24Å; T225-R230 PolarHBondContact O-NE 2.63Å; T225-L233 HydrophobicContact CG2-CD2 4.26Å
226P86.9Confident85.5Confident65 Ų6563.4 Ų63.442%0.42238%0.382SS..  trans-54140.7176.7-25.933.9000111.9A228 Q229 R230P226-A228 PolarHBondContact O-N 2.85Å; P226-A228 VanDerWaalsContact O-N 3.08Å; P226-Q229 PolarHBondContact O-N 3.08Å; P226-R230 PolarHBondContact O-N 3.31Å
227P84.4Confident83.4Confident80 Ų8066 Ų6652%0.51940%0.396SS..Hα-helixtrans-49.7-41.1-177.4-30.735.5000114.5Q229 R230P227-Q229 PolarHBondContact O-N 2.96Å; P227-Q229 VanDerWaalsContact O-N 3.14Å; P227-R230 PolarHBondContact O-N 3.28Å
228A82.6Confident81.2Confident99 Ų9967.7 Ų67.782%0.81840%0.403SS*.Hα-helixtrans-62.1-20.5178.400000114.4P226P226-A228 PolarHBondContact O-N 2.85Å; P226-A228 VanDerWaalsContact O-N 3.08Å
229Q83.6Confident78.5Confident113 Ų11368 Ų6853%0.52841%0.414SS..Hα-helixtrans-103.6-9-178.4-65.3176.9-6.400112.9T225 P226 P227 L231 A232 L233T225-Q229 HydrophobicContact CG2-CB 3.76Å; P226-Q229 PolarHBondContact O-N 3.08Å; P227-Q229 PolarHBondContact O-N 2.96Å; P227-Q229 VanDerWaalsContact O-N 3.14Å; Q229-L231 PolarHBondContact O-N 2.94Å; Q229-A232 WeakPolarHBondContact O-CB 3.31Å; Q229-A232 PolarHBondContact O-N 2.84Å; Q229-A232 VanDerWaalsContact O-N 3.14Å; Q229-L233 PolarHBondContact O-N 2.87Å
230R83.6Confident75.7Confident25 Ų2572.6 Ų72.69%0.09445%0.447CS..Hα-helixtrans-63.6-39.7-176.5-70.2176.3-175.3167.2-4.4112.6D77 Y222 T225 P226 P227 A232 L233 L234D77-R230 IonicContact OD1-NH1 2.94Å; D77-R230 IonicContact OD2-CZ 3.39Å; D77-R230 IonicContact OD2-NE 2.87Å; D77-R230 IonicContact OD2-NH1 2.71Å; D77-R230 PolarHBondContact OD2-NH1 2.78Å; Y222-R230 HydrophobicContact CE1-CG 4.46Å; Y222-R230 HydrophobicContact CE2-CB 4.29Å; Y222-R230 HydrophobicContact CE2-CG 4.38Å; T225-R230 HydrophobicContact CG2-CG 4.24Å; T225-R230 PolarHBondContact O-NE 2.63Å; P226-R230 PolarHBondContact O-N 3.31Å; P227-R230 PolarHBondContact O-N 3.28Å; R230-A232 VanDerWaalsContact C-N 3.28Å; R230-A232 PolarHBondContact O-N 2.9Å; R230-L233 WeakPolarHBondContact O-CB 3.41Å; R230-L233 PolarHBondContact O-N 2.71Å; R230-L234 VanDerWaalsContact O-CG 3.24Å; R230-L234 WeakPolarHBondContact O-CG 3.34Å; R230-L234 PolarHBondContact O-N 3.02Å
231L75.8Confident73.1Confident42 Ų4279.5 Ų79.522%0.2248%0.48CS..Hα-helixtrans-63-36.7175.8-67.8175.5000111.9L72 P78 Q229 L234 L236L72-L231 HydrophobicContact CD1-CD2 3.68Å; P78-L231 HydrophobicContact CG-CD2 3.67Å; P78-L231 HydrophobicContact CG-CG 4.42Å; Q229-L231 PolarHBondContact O-N 2.94Å; L231-L234 PolarHBondContact O-N 2.83Å; L231-L236 WeakPolarHBondContact O-CA 3.46Å; L231-L236 WeakPolarHBondContact O-CB 3.37Å; L231-L236 PolarHBondContact O-N 3.47Å
232A76.8Confident70.4Confident54 Ų5485.9 Ų85.945%0.44650%0.498SS..Hα-helixtrans-67.6-43.2174.900000111.8Q229 R230 L234 G235 V237Q229-A232 WeakPolarHBondContact O-CB 3.31Å; Q229-A232 PolarHBondContact O-N 2.84Å; Q229-A232 VanDerWaalsContact O-N 3.14Å; R230-A232 VanDerWaalsContact C-N 3.28Å; R230-A232 PolarHBondContact O-N 2.9Å; A232-L234 PolarHBondContact O-N 3.25Å; A232-G235 PolarHBondContact O-N 2.95Å; A232-V237 HydrophobicContact CB-CG2 3.7Å
233L74.6Confident67.7Low104 Ų10491.4 Ų91.455%0.54554%0.535SS..Hα-helixtrans-58.6-35.5176.4-173.471.8000112.1Y222 T225 Q229 R230 G235Y222-L233 HydrophobicContact CD2-CD2 4.39Å; T225-L233 HydrophobicContact CG2-CD2 4.26Å; Q229-L233 PolarHBondContact O-N 2.87Å; R230-L233 WeakPolarHBondContact O-CB 3.41Å; R230-L233 PolarHBondContact O-N 2.71Å; L233-G235 PolarHBondContact O-N 2.84Å
234L69.6Low65.1Low60 Ų6094.9 Ų94.931%0.31456%0.564SS.*THydrogen-bonded Turntrans-782.3177.2-65.3172.4000113.6L67 P78 Y222 R230 L231 A232 L236L67-L234 HydrophobicContact CD1-CD1 3.68Å; L67-L234 HydrophobicContact CD1-CD2 3.7Å; L67-L234 HydrophobicContact CD1-CG 4.33Å; L67-L234 HydrophobicContact CD2-CD1 3.59Å; L67-L234 HydrophobicContact CG-CD1 4.27Å; P78-L234 HydrophobicContact CG-CD1 4.31Å; Y222-L234 HydrophobicContact CE2-CD1 4.11Å; Y222-L234 HydrophobicContact CE2-CD2 4.16Å; Y222-L234 HydrophobicContact CE2-CG 4.25Å; R230-L234 VanDerWaalsContact O-CG 3.24Å; R230-L234 WeakPolarHBondContact O-CG 3.34Å; R230-L234 PolarHBondContact O-N 3.02Å; L231-L234 PolarHBondContact O-N 2.83Å; A232-L234 PolarHBondContact O-N 3.25Å; L234-L236 HydrophobicContact CB-CD1 3.87Å; L234-L236 HydrophobicContact CB-CG 4.02Å; L234-L236 HydrophobicContact CD1-CD1 4.29Å; L234-L236 PolarHBondContact O-N 3.19Å
235G66.3Low62.4Low64 Ų6496 Ų9666%0.6657%0.572SS**THydrogen-bonded Turntrans70.817.8-176.800000113.8A232 L233A232-G235 PolarHBondContact O-N 2.95Å; L233-G235 PolarHBondContact O-N 2.84Å
236L63.2Low60Low94 Ų94101 Ų10149%0.49261%0.605SS.*  trans-9819.6-174.4-61.3172.4000113.2L72 L231 L234L72-L236 HydrophobicContact CD1-CD1 3.45Å; L72-L236 VanDerWaalsContact CD1-CD1 3.45Å; L231-L236 WeakPolarHBondContact O-CA 3.46Å; L231-L236 WeakPolarHBondContact O-CB 3.37Å; L231-L236 PolarHBondContact O-N 3.47Å; L234-L236 HydrophobicContact CB-CD1 3.87Å; L234-L236 HydrophobicContact CB-CG 4.02Å; L234-L236 HydrophobicContact CD1-CD1 4.29Å; L234-L236 PolarHBondContact O-N 3.19Å
237V53.9Low57.7Low98 Ų98103 Ų10359%0.59462%0.62SS**PPolyproline II helixtrans-100.6133.5172175.80000110.6A232A232-V237 HydrophobicContact CB-CG2 3.7Å
238Q50.3Low55.5Low168 Ų168104.7 Ų104.779%0.78563%0.631SS**PPolyproline II helixtrans-65.7157.2176.8-72.9-148.66.700113.3S240Q238-S240 PolarHBondContact O-N 2.86Å
239P38.8Very low53.2Low115 Ų115107.6 Ų107.675%0.74763%0.633SS**PPolyproline II helixtrans-51.9130.415923.5-32.6000108.8E241P239-E241 PolarHBondContact O-N 3.31Å
240S39.5Very low50.8Low101 Ų101111.6 Ų111.671%0.70665%0.649SS**PPolyproline II helixtrans-47.7133.6171.262.60000109Q238 K242Q238-S240 PolarHBondContact O-N 2.86Å; S240-K242 PolarHBondContact O-N 3.44Å
241E41.8Very low48.5Very low188 Ų188116 Ų11688%0.87968%0.681SS**  trans-43.3114.3156.3-74.7179.4151.200106.9P239P239-E241 PolarHBondContact O-N 3.31Å
242K35.9Very low46.3Very low188 Ų188123.2 Ų123.282%0.81771%0.711SS**  trans-51.3137.5170.8-74179177.8177.60106.1S240 S244S240-K242 PolarHBondContact O-N 3.44Å; K242-S244 PolarHBondContact O-N 3.11Å
243P36.8Very low44.1Very low125 Ų125127 Ų12781%0.81273%0.728SS**  trans-55.7113.5171-1425.9000106.5S245P243-S245 PolarHBondContact O-N 3.22Å
244S39.6Very low42Very low112 Ų112127.6 Ų127.678%0.78374%0.737SS**  trans-52.2119.3166.439.90000106.5K242K242-S244 PolarHBondContact O-N 3.11Å
245S37.1Very low40.1Very low96 Ų96133.4 Ų133.467%0.67176%0.762SS**  trans-41.4140.9176.738.10000112P243 S247P243-S245 PolarHBondContact O-N 3.22Å; S245-S247 PolarHBondContact O-N 3.06Å; S245-S247 VanDerWaalsContact O-N 3.11Å
246P38.2Very low38.4Very low130 Ų130136.7 Ų136.784%0.84477%0.769SS**PPolyproline II helixtrans-63.8118.4179.826.7-31.2000108.8
247S38.5Very low37.2Very low108 Ų108137.7 Ų137.776%0.75578%0.781SS**PPolyproline II helixtrans-71.9142.4166.1-62.20000108.6S245S245-S247 PolarHBondContact O-N 3.06Å; S245-S247 VanDerWaalsContact O-N 3.11Å
248P39.3Very low36Very low114 Ų114142.9 Ų142.974%0.7480%0.796SS**PPolyproline II helixtrans-74.9144.9-167.229.8-33.4000112.6
249D34Very low35.1Very low160 Ų160144.4 Ų144.486%0.85680%0.8SS**PPolyproline II helixtrans-50.3136178.4-65.2-55000113.6
250F33Very low35Very low197 Ų197145.2 Ų145.286%0.86481%0.805SS**  trans-116.7132.4157.2-85.7-80.8000109.9
251P36.2Very low34.4Very low118 Ų118144.1 Ų144.177%0.76681%0.81SS**  trans-80.8149.2-163.229.6-34.5000115
252F29.3Very low33.8Very low194 Ų194142.7 Ų142.785%0.85181%0.808SS**  trans-46.1136.9169.3-85.8-101.9000114.1
253T31.2Very low34Very low132 Ų132139.1 Ų139.181%0.8180%0.804SS**  trans-121.8109.6150.6280000109.6
254T30.1Very low33.6Very low118 Ų118137.9 Ų137.972%0.72480%0.798SS**  trans-82.9123.117236.30000110.5
255H30.1Very low33.1Very low182 Ų182144.3 Ų144.384%0.84381%0.806SS**  trans-131115.6159.3-78.6-66.9000110.5
256T29.6Very low32.7Very low133 Ų133144.8 Ų144.882%0.81682%0.815SS**  trans-135149.5155.445.50000105.3
257P37.9Very low32.3Very low114 Ų114149.4 Ų149.474%0.7482%0.816SS**  cis-151.7167.747.338.2-16.7000117.1
258K28.7Very low31.7Very low208 Ų208149.8 Ų149.890%0.90482%0.818SS**  178.3126.2122.1-96.3169.5-176.8-178.70112.5
259K30.6Very low31Very low200 Ų200154.8 Ų154.887%0.8782%0.822SS**  trans-83.6159.5157-107.5179-176.4177.90107.9
260P38.3Very low30.7Very low132 Ų132155.1 Ų155.186%0.85782%0.823SS**  -151.4170.464.138.2-17.1000117
261G26.7Very low30.7Very low78 Ų78150.9 Ų150.980%0.80482%0.818SS**  trans137.796.1158.700000114.7
262N29.3Very low30.7Very low158 Ų158150.7 Ų150.785%0.84582%0.817SS**  trans-113.5152.6154.8-133.33.5000105.1
263P40.2Very low30.8Very low112 Ų112152.7 Ų152.773%0.72782%0.819SS**  -152.4162.562.737.4-16.2000117.7
264S28.4Very low30.8Very low99 Ų99153.2 Ų153.269%0.69282%0.822SS**  124.2124.912877.10000118.2
265R28.3Very low31.1Very low248 Ų248152.6 Ų152.694%0.93682%0.822SS**  trans61.6105.4148.8-72.9-179.1169.5-179-1.7120.3
266A29.3Very low31.5Very low105 Ų105149.6 Ų149.687%0.86882%0.819SS**  -158.4145.1124.100000110.8
267R29.5Very low32.3Very low228 Ų228149.4 Ų149.486%0.8682%0.82SS**  trans-74.7139.2-162.7-72.8168165.6175.6-7.1113.8
268S25.3Very low32.1Very low116 Ų116148.8 Ų148.881%0.81182%0.824SS**  trans-82.6136.2164.2113.30000109.6
269W25.8Very low32.4Very low218 Ų218144.4 Ų144.483%0.82682%0.82SS**  trans-131.7120.9160.8-75.193.7000105.7
270L27Very low33.3Very low167 Ų167140.9 Ų140.987%0.87482%0.817SS**  trans160.3117.5143.1-85162.2000110.4
271S32.8Very low33.4Very low109 Ų109138 Ų13876%0.76281%0.812SS**  trans140139151.2-66.60000109.9
272P37.1Very low34.1Very low114 Ų114144.2 Ų144.274%0.7484%0.838SS**  -139138.764.132.2-11.6000114.5
273R29.8Very low34.4Very low235 Ų235143.5 Ų143.589%0.88784%0.838SS**  37108.989.9-78.4-170.5-171.8-110.81.7114.6
274V33.1Very low34.1Very low144 Ų144145.2 Ų145.287%0.87384%0.844SS**  trans-123.9127.4160.4176.70000107.7
275S35.7Very low34.4Very low104 Ų104147.7 Ų147.773%0.72785%0.852SS**PPolyproline II helixtrans-98.9157.5173.7-63.20000110.3
276P38Very low34.7Very low119 Ų119141.8 Ų141.877%0.77385%0.847SS**PPolyproline II helixtrans-84.7161.8-17133.8-34.4000113.9
277P46.2Very low35.1Very low129 Ų129144.1 Ų144.184%0.83885%0.846SS**PPolyproline II helixtrans-85150.4177.733.6-31.5000113.1
278A35.1Very low35.4Very low101 Ų101138.5 Ų138.584%0.83585%0.845SS**PPolyproline II helixtrans-82.9149.4-177.600000113.5
279S34.3Very low36.2Very low116 Ų116140.1 Ų140.181%0.81185%0.847SS**PPolyproline II helixtrans-76.1152.4168.8-52.30000112.3
280P49.2Very low37Very low126 Ų126134.2 Ų134.282%0.81885%0.849SS**PPolyproline II helixtrans-94.6139161.333.8-24.9000111.4
281G40.3Very low37.8Very low73 Ų73131.4 Ų131.475%0.75385%0.847SS**  trans-76.6-167.4173.200000113.2
282P42.1Very low38.3Very low207 Ų207133.5 Ų133.5100%1.34485%0.854SS**  cis-107.4032.328.8-14.6000116.2

Retrieved 282 of 282 residues in 148.4 ms (Link to these results)

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