A0A077Z1S7_TRITR Loading...

Ectonucleotide pyrophosphatase:phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077Z1S7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 688 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M96.5Very high95.1Very high20 Ų2032.3 Ų32.310%0.09916%0.155CC..  0107.50-59.5-174.6-62.900105.5F4 I17 M182 L186 I206 L207 T208 L323M1-F4 HydrophobicContact CB-CB 4.23Å; M1-F4 HydrophobicContact CE-CB 4.49Å; M1-F4 HydrophobicContact CE-CD2 4.01Å; M1-F4 HydrophobicContact CE-CE2 4.38Å; M1-F4 HydrophobicContact CE-CG 4.15Å; M1-I17 HydrophobicContact CE-CD1 4.19Å; M1-M182 HydrophobicContact CB-CE 3.99Å; M1-M182 HydrophobicContact CG-CE 3.52Å; M1-M182 HydrophobicContact SD-CB 4.25Å; M1-M182 HydrophobicContact SD-CE 3.64Å; M1-L186 HydrophobicContact CE-CD1 4.44Å; M1-L186 HydrophobicContact SD-CD1 4.06Å; M1-I206 HydrophobicContact CE-CG2 3.84Å; M1-I206 HydrophobicContact SD-CG2 4.46Å; M1-L207 PolarHBondContact N-O 2.95Å; M1-T208 VanDerWaalsContact O-CB 3.3Å; M1-T208 WeakPolarHBondContact O-CB 3.34Å; M1-T208 WeakPolarHBondContact O-CG2 3.38Å; M1-T208 PolarHBondContact O-OG1 2.74Å; M1-L323 HydrophobicContact CE-CD2 3.79Å
2D97.1Very high94.7Very high1 Ų139.9 Ų39.91%0.00520%0.198CC..THydrogen-bonded Turntrans-62.3133.4-170.6-154.1-22.8000111.2F4 T38 H42 Y156 F157 E159 P160 D161 D209 H210D2-F4 PolarHBondContact O-N 3.22Å; D2-T38 WeakPolarHBondContact OD2-CG2 3.26Å; D2-H42 IonicContact OD2-CE1 2.74Å; D2-Y156 HydrophobicContact CB-CE2 3.79Å; D2-Y156 WeakPolarHBondContact OD2-CE2 3.27Å; D2-Y156 VanDerWaalsContact OD2-CZ 3.31Å; D2-Y156 PolarHBondContact OD2-OH 3.31Å; D2-F157 WeakPolarHBondContact CB-O 3.18Å; D2-F157 PolarHBondContact N-O 3Å; D2-E159 CarbonylContact O-C 3.54Å; D2-P160 WeakPolarHBondContact O-CD 3.48Å; D2-D161 HydrophobicContact CB-CB 3.73Å; D2-D161 PolarHBondContact O-N 3.16Å; D2-D209 WeakPolarHBondContact CA-OD1 3.5Å; D2-H210 IonicContact OD1-CE1 3.54Å; D2-H210 PolarHBondContact OD1-CE1 3.25Å; D2-H210 IonicContact OD1-NE2 2.64Å; D2-H210 PolarHBondContact OD1-NE2 2.99Å
3G97.1Very high94.6Very high1 Ų138.3 Ų38.31%0.0119%0.19CC..THydrogen-bonded Turntrans64.111.5173.700000116.9R5 D209 H210G3-R5 PolarHBondContact O-N 3.09Å; G3-D209 PolarHBondContact N-OD1 3.09Å; G3-H210 CarbonylContact C-O 3.55Å; G3-H210 VanDerWaalsContact CA-O 3.31Å; G3-H210 WeakPolarHBondContact CA-O 3.49Å
4F97.1Very high94.7Very high0 Ų035.6 Ų35.60%018%0.176CC..  trans-71.897.8176-166.1-71.8000111.4M1 D2 V6 Y8 L9 T14 I17 P160 L179 T208 L323M1-F4 HydrophobicContact CB-CB 4.23Å; M1-F4 HydrophobicContact CE-CB 4.49Å; M1-F4 HydrophobicContact CE-CD2 4.01Å; M1-F4 HydrophobicContact CE-CE2 4.38Å; M1-F4 HydrophobicContact CE-CG 4.15Å; D2-F4 PolarHBondContact O-N 3.22Å; F4-V6 PolarHBondContact O-N 3.26Å; F4-Y8 HydrophobicContact CD1-CD2 4.3Å; F4-Y8 HydrophobicContact CE1-CD2 4.43Å; F4-Y8 HydrophobicContact CG-CD2 4.36Å; F4-L9 HydrophobicContact CE1-CD2 4.07Å; F4-L9 HydrophobicContact CE1-CG 4.28Å; F4-L9 HydrophobicContact CZ-CD2 4.09Å; F4-T14 HydrophobicContact CZ-CG2 4.32Å; F4-I17 HydrophobicContact CE2-CD1 4.14Å; F4-I17 HydrophobicContact CZ-CD1 3.97Å; F4-P160 HydrophobicContact CB-CG 4.11Å; F4-P160 HydrophobicContact CD2-CG 4.1Å; F4-P160 HydrophobicContact CG-CG 4.43Å; F4-L179 HydrophobicContact CD2-CD2 3.74Å; F4-L179 HydrophobicContact CE2-CD2 3.38Å; F4-L179 HydrophobicContact CZ-CD2 3.99Å; F4-T208 HydrophobicContact CB-CG2 4.09Å; F4-T208 WeakPolarHBondContact CB-OG1 3.34Å; F4-T208 WeakPolarHBondContact O-CG2 3.48Å; F4-L323 HydrophobicContact CD1-CB 4.38Å; F4-L323 HydrophobicContact CD1-CD2 4.3Å; F4-L323 HydrophobicContact CE1-CD2 4.28Å
5R95.6Very high94.9Very high29 Ų2937.5 Ų37.511%0.10919%0.192CC..BIsolated β-bridgetrans-61.9131.2174.2-152.9170.476.6178.95110.8G3 D7 Y8 D170 M212 S319G3-R5 PolarHBondContact O-N 3.09Å; R5-D7 WeakPolarHBondContact CD-OD1 3.49Å; R5-D7 WeakPolarHBondContact CG-OD1 3.35Å; R5-D7 IonicContact CZ-OD1 2.78Å; R5-D7 IonicContact CZ-OD2 3.4Å; R5-D7 VanDerWaalsContact NE-CG 3.3Å; R5-D7 IonicContact NE-OD1 3.23Å; R5-D7 PolarHBondContact NE-OD1 3.13Å; R5-D7 IonicContact NE-OD2 2.96Å; R5-D7 PolarHBondContact NE-OD2 2.91Å; R5-D7 IonicContact NH2-OD1 3.1Å; R5-D7 PolarHBondContact NH2-OD1 3.34Å; R5-D7 IonicContact NH2-OD2 3.98Å; R5-D7 PolarHBondContact NH2-OD2 3.35Å; R5-D7 PolarHBondContact O-N 2.91Å; R5-Y8 HydrophobicContact CB-CD1 4.02Å; R5-Y8 HydrophobicContact CB-CD2 3.77Å; R5-Y8 HydrophobicContact CB-CE1 3.72Å; R5-Y8 HydrophobicContact CB-CE2 3.49Å; R5-Y8 VanDerWaalsContact CB-CE2 3.49Å; R5-Y8 HydrophobicContact CB-CG 4.04Å; R5-Y8 VanDerWaalsContact CB-CZ 3.46Å; R5-Y8 VanDerWaalsContact O-CB 3.31Å; R5-Y8 WeakPolarHBondContact O-CB 3.22Å; R5-Y8 WeakPolarHBondContact O-CD2 3.26Å; R5-Y8 VanDerWaalsContact O-CG 3.3Å; R5-Y8 PolarHBondContact O-N 3.48Å; R5-Y8 VanDerWaalsContact O-N 3.12Å; R5-D170 IonicContact NH1-OD1 3.95Å; R5-M212 VanDerWaalsContact CD-O 3.27Å; R5-M212 WeakPolarHBondContact CD-O 3.18Å; R5-S319 WeakPolarHBondContact CD-O 3.48Å; R5-S319 WeakPolarHBondContact CG-O 3.5Å
6V95.8Very high95.1Very high23 Ų2335.9 Ų35.914%0.13919%0.185CC..G310 helixtrans-60.3-30.8-173.569.50000113.9F4 Y8 L9 R321F4-V6 PolarHBondContact O-N 3.26Å; V6-Y8 VanDerWaalsContact C-N 3.27Å; V6-Y8 PolarHBondContact O-N 2.82Å; V6-L9 WeakPolarHBondContact O-CG 3Å; V6-L9 PolarHBondContact O-N 3.25Å; V6-R321 HydrophobicContact CG1-CB 3.62Å; V6-R321 PolarHBondContact N-O 3.23Å
7D95.1Very high95.3Very high40 Ų4033.8 Ų33.821%0.21417%0.174CC..G310 helixtrans-77.8-8.9-17871.8-24000113.5R5 L9 K10R5-D7 WeakPolarHBondContact CD-OD1 3.49Å; R5-D7 WeakPolarHBondContact CG-OD1 3.35Å; R5-D7 IonicContact CZ-OD1 2.78Å; R5-D7 IonicContact CZ-OD2 3.4Å; R5-D7 VanDerWaalsContact NE-CG 3.3Å; R5-D7 IonicContact NE-OD1 3.23Å; R5-D7 PolarHBondContact NE-OD1 3.13Å; R5-D7 IonicContact NE-OD2 2.96Å; R5-D7 PolarHBondContact NE-OD2 2.91Å; R5-D7 IonicContact NH2-OD1 3.1Å; R5-D7 PolarHBondContact NH2-OD1 3.34Å; R5-D7 IonicContact NH2-OD2 3.98Å; R5-D7 PolarHBondContact NH2-OD2 3.35Å; R5-D7 PolarHBondContact O-N 2.91Å; D7-L9 PolarHBondContact O-N 3.43Å; D7-L9 VanDerWaalsContact O-N 3.14Å; D7-K10 HydrophobicContact CB-CD 4.12Å; D7-K10 VanDerWaalsContact O-CB 3.24Å; D7-K10 WeakPolarHBondContact O-CB 3.45Å; D7-K10 WeakPolarHBondContact O-CG 3.25Å; D7-K10 PolarHBondContact O-N 3.3Å
8Y96Very high95.3Very high4 Ų435.2 Ų35.22%0.01618%0.18CC..G310 helixtrans-57.8-24.4169.6-65.7-21.3000112.1F4 R5 V6 K10 N11 P160 P169 L175 L179F4-Y8 HydrophobicContact CD1-CD2 4.3Å; F4-Y8 HydrophobicContact CE1-CD2 4.43Å; F4-Y8 HydrophobicContact CG-CD2 4.36Å; R5-Y8 HydrophobicContact CB-CD1 4.02Å; R5-Y8 HydrophobicContact CB-CD2 3.77Å; R5-Y8 HydrophobicContact CB-CE1 3.72Å; R5-Y8 HydrophobicContact CB-CE2 3.49Å; R5-Y8 VanDerWaalsContact CB-CE2 3.49Å; R5-Y8 HydrophobicContact CB-CG 4.04Å; R5-Y8 VanDerWaalsContact CB-CZ 3.46Å; R5-Y8 VanDerWaalsContact O-CB 3.31Å; R5-Y8 WeakPolarHBondContact O-CB 3.22Å; R5-Y8 WeakPolarHBondContact O-CD2 3.26Å; R5-Y8 VanDerWaalsContact O-CG 3.3Å; R5-Y8 PolarHBondContact O-N 3.48Å; R5-Y8 VanDerWaalsContact O-N 3.12Å; V6-Y8 VanDerWaalsContact C-N 3.27Å; V6-Y8 PolarHBondContact O-N 2.82Å; Y8-K10 PolarHBondContact O-N 2.96Å; Y8-N11 WeakPolarHBondContact O-CB 3.33Å; Y8-N11 PolarHBondContact O-N 2.78Å; Y8-P160 HydrophobicContact CE2-CG 4.22Å; Y8-P169 WeakPolarHBondContact CE1-O 3.16Å; Y8-P169 WeakPolarHBondContact OH-CA 3.35Å; Y8-P169 WeakPolarHBondContact OH-CB 3.35Å; Y8-P169 PolarHBondContact OH-O 2.84Å; Y8-L175 HydrophobicContact CE1-CD2 3.92Å; Y8-L175 HydrophobicContact CE2-CD1 4.17Å; Y8-L179 HydrophobicContact CD2-CD1 4.22Å; Y8-L179 HydrophobicContact CD2-CD2 3.51Å; Y8-L179 HydrophobicContact CD2-CG 4.47Å; Y8-L179 HydrophobicContact CE2-CD2 4.21Å; Y8-L179 HydrophobicContact CG-CD1 3.98Å; Y8-L179 HydrophobicContact CG-CD2 4.03Å
9L94.1Very high95.4Very high28 Ų2840.1 Ų40.115%0.14720%0.202CC..G310 helixtrans-60.7-26.4172.3-61.3178.8000113.1F4 V6 D7 N11 N12 T14 I17 I21 L323F4-L9 HydrophobicContact CE1-CD2 4.07Å; F4-L9 HydrophobicContact CE1-CG 4.28Å; F4-L9 HydrophobicContact CZ-CD2 4.09Å; V6-L9 WeakPolarHBondContact O-CG 3Å; V6-L9 PolarHBondContact O-N 3.25Å; D7-L9 PolarHBondContact O-N 3.43Å; D7-L9 VanDerWaalsContact O-N 3.14Å; L9-N11 PolarHBondContact O-N 2.87Å; L9-N11 VanDerWaalsContact O-N 3.16Å; L9-N12 PolarHBondContact O-N 2.95Å; L9-T14 WeakPolarHBondContact CD2-OG1 3.48Å; L9-I17 HydrophobicContact CD2-CB 4.17Å; L9-I17 HydrophobicContact CD2-CD1 4.39Å; L9-I17 HydrophobicContact CD2-CG2 3.6Å; L9-I21 HydrophobicContact CD1-CD1 3.78Å; L9-L323 HydrophobicContact CD1-CD1 3.89Å
10K92.4Very high95.5Very high148 Ų14838.9 Ų38.964%0.64320%0.196SC*.G310 helixtrans-65.8-17.4178.6-62.4175.9-176.7169.40112.9D7 Y8 N12D7-K10 HydrophobicContact CB-CD 4.12Å; D7-K10 VanDerWaalsContact O-CB 3.24Å; D7-K10 WeakPolarHBondContact O-CB 3.45Å; D7-K10 WeakPolarHBondContact O-CG 3.25Å; D7-K10 PolarHBondContact O-N 3.3Å; Y8-K10 PolarHBondContact O-N 2.96Å; K10-N12 PolarHBondContact O-N 3.08Å
11N88.7Confident95.5Very high61 Ų6138.7 Ų38.733%0.32620%0.195SC..G310 helixtrans-72.6-11.3179-67.7-12.1000112.7Y8 L9 I13 S171Y8-N11 WeakPolarHBondContact O-CB 3.33Å; Y8-N11 PolarHBondContact O-N 2.78Å; L9-N11 PolarHBondContact O-N 2.87Å; L9-N11 VanDerWaalsContact O-N 3.16Å; N11-I13 HydrophobicContact CB-CD1 4.09Å; N11-I13 HydrophobicContact CB-CG1 3.96Å; N11-I13 HydrophobicContact CB-CG2 4.42Å; N11-I13 WeakPolarHBondContact O-CG2 3.48Å; N11-I13 PolarHBondContact O-N 3.13Å; N11-S171 PolarHBondContact ND2-OG 3.41Å; N11-S171 VanDerWaalsContact ND2-OG 3.09Å
12N90.3Very high95.5Very high124 Ų12444.7 Ų44.766%0.66322%0.223SC*.SBendtrans52.839.3-178.8-56.6-38.8000113.2L9 K10 E18L9-N12 PolarHBondContact O-N 2.95Å; K10-N12 PolarHBondContact O-N 3.08Å; N12-E18 WeakPolarHBondContact CA-OE1 3.38Å
13I94.1Very high95.4Very high19 Ų1947.3 Ų47.310%0.09724%0.244CC..  trans-114.35178.762.8177.2000112.3N11 P15 R176 L179 L180N11-I13 HydrophobicContact CB-CD1 4.09Å; N11-I13 HydrophobicContact CB-CG1 3.96Å; N11-I13 HydrophobicContact CB-CG2 4.42Å; N11-I13 WeakPolarHBondContact O-CG2 3.48Å; N11-I13 PolarHBondContact O-N 3.13Å; I13-P15 VanDerWaalsContact O-CD 3.24Å; I13-P15 WeakPolarHBondContact O-CD 3.21Å; I13-R176 HydrophobicContact CD1-CB 4.48Å; I13-R176 HydrophobicContact CD1-CG 3.71Å; I13-L179 HydrophobicContact CD1-CB 3.85Å; I13-L179 HydrophobicContact CD1-CD1 3.88Å; I13-L179 HydrophobicContact CG1-CB 4.48Å; I13-L180 HydrophobicContact CB-CD2 4.24Å; I13-L180 WeakPolarHBondContact O-CD2 2.85Å
14T96.5Very high95.4Very high0 Ų047.3 Ų47.30%024%0.244CC..  trans-120.164.8-176.253.20000110.2F4 L9 T16 I17 E18 D183F4-T14 HydrophobicContact CZ-CG2 4.32Å; L9-T14 WeakPolarHBondContact CD2-OG1 3.48Å; T14-T16 PolarHBondContact O-N 2.9Å; T14-I17 HydrophobicContact CG2-CD1 4.1Å; T14-I17 PolarHBondContact O-N 2.67Å; T14-E18 WeakPolarHBondContact O-CG 3.24Å; T14-E18 PolarHBondContact O-N 3.35Å; T14-D183 WeakPolarHBondContact CA-OD1 3.37Å; T14-D183 WeakPolarHBondContact CB-OD1 3.29Å; T14-D183 HydrophobicContact CG2-CB 4.24Å
15P97.4Very high95.5Very high64 Ų6447.3 Ų47.342%0.41624%0.244SC..Hα-helixtrans-62.3-29.4-172.826.3-36.1000112.9I13 Q19 D183I13-P15 VanDerWaalsContact O-CD 3.24Å; I13-P15 WeakPolarHBondContact O-CD 3.21Å; P15-Q19 WeakPolarHBondContact O-CB 3.32Å; P15-Q19 VanDerWaalsContact O-CG 3.26Å; P15-Q19 WeakPolarHBondContact O-CG 3.44Å; P15-Q19 PolarHBondContact O-N 3.22Å; P15-D183 WeakPolarHBondContact CD-OD2 3.25Å
16T98.1Very high95.6Very high12 Ų1247.4 Ų47.47%0.07425%0.246CC..Hα-helixtrans-69.8-49.3176.4-48.40000110.2T14 E18 Q19 L20 D183 L186 N187T14-T16 PolarHBondContact O-N 2.9Å; T16-E18 VanDerWaalsContact C-N 3.26Å; T16-E18 PolarHBondContact O-N 2.91Å; T16-Q19 PolarHBondContact O-N 3.23Å; T16-Q19 VanDerWaalsContact O-N 3.15Å; T16-L20 HydrophobicContact CG2-CD1 4.25Å; T16-L20 HydrophobicContact CG2-CG 4.47Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.23Å; T16-D183 WeakPolarHBondContact CA-OD1 3.34Å; T16-D183 VanDerWaalsContact CB-CG 3.48Å; T16-D183 VanDerWaalsContact CB-OD1 3.22Å; T16-D183 WeakPolarHBondContact CB-OD1 3.49Å; T16-D183 VanDerWaalsContact CB-OD2 3.24Å; T16-D183 WeakPolarHBondContact CB-OD2 3.39Å; T16-D183 PolarHBondContact N-OD1 2.73Å; T16-D183 PolarHBondContact N-OD2 3.33Å; T16-D183 VanDerWaalsContact N-OD2 3.13Å; T16-D183 PolarHBondContact OG1-OD2 2.85Å; T16-L186 HydrophobicContact CG2-CB 4.15Å; T16-N187 HydrophobicContact CG2-CB 4.12Å; T16-N187 WeakPolarHBondContact OG1-CB 3.35Å
17I97.6Very high95.6Very high0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-59.7-41.4178-60.1173.4000110.4M1 F4 L9 T14 Q19 L20 I21 D183 L186 L323 L325M1-I17 HydrophobicContact CE-CD1 4.19Å; F4-I17 HydrophobicContact CE2-CD1 4.14Å; F4-I17 HydrophobicContact CZ-CD1 3.97Å; L9-I17 HydrophobicContact CD2-CB 4.17Å; L9-I17 HydrophobicContact CD2-CD1 4.39Å; L9-I17 HydrophobicContact CD2-CG2 3.6Å; T14-I17 HydrophobicContact CG2-CD1 4.1Å; T14-I17 PolarHBondContact O-N 2.67Å; I17-Q19 PolarHBondContact O-N 3.38Å; I17-L20 PolarHBondContact O-N 3.03Å; I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 2.82Å; I17-D183 PolarHBondContact N-OD1 2.75Å; I17-L186 HydrophobicContact CD1-CD1 4Å; I17-L186 HydrophobicContact CG1-CD1 3.57Å; I17-L323 HydrophobicContact CG2-CD2 4.2Å; I17-L325 HydrophobicContact CG2-CD2 4.38Å
18E96.3Very high95.6Very high60 Ų6046.6 Ų46.628%0.2824%0.244SC..Hα-helixtrans-59.9-43.5175.4-71.9165.8-145.700112.6N12 T14 T16 L20 I21 Q22N12-E18 WeakPolarHBondContact CA-OE1 3.38Å; T14-E18 WeakPolarHBondContact O-CG 3.24Å; T14-E18 PolarHBondContact O-N 3.35Å; T16-E18 VanDerWaalsContact C-N 3.26Å; T16-E18 PolarHBondContact O-N 2.91Å; E18-L20 VanDerWaalsContact C-N 3.35Å; E18-I21 PolarHBondContact O-N 2.85Å; E18-Q22 WeakPolarHBondContact O-CG 3.33Å; E18-Q22 PolarHBondContact O-N 2.75Å
19Q96.5Very high95.6Very high128 Ų12847.9 Ų47.960%0.59825%0.249SC*.Hα-helixtrans-63.2-40.9174.3-75.8174.119.500111.9P15 T16 I17 Q22 A23P15-Q19 WeakPolarHBondContact O-CB 3.32Å; P15-Q19 VanDerWaalsContact O-CG 3.26Å; P15-Q19 WeakPolarHBondContact O-CG 3.44Å; P15-Q19 PolarHBondContact O-N 3.22Å; T16-Q19 PolarHBondContact O-N 3.23Å; T16-Q19 VanDerWaalsContact O-N 3.15Å; I17-Q19 PolarHBondContact O-N 3.38Å; Q19-Q22 PolarHBondContact O-N 3.38Å; Q19-A23 WeakPolarHBondContact O-CB 3.24Å; Q19-A23 PolarHBondContact O-N 2.97Å
20L97Very high95.8Very high15 Ų1546.6 Ų46.68%0.07924%0.242CC..Hα-helixtrans-67.1-38178.7-63.7172000111.8T16 I17 E18 Q22 A23 G24 F190 I206 L325 V327T16-L20 HydrophobicContact CG2-CD1 4.25Å; T16-L20 HydrophobicContact CG2-CG 4.47Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.23Å; I17-L20 PolarHBondContact O-N 3.03Å; E18-L20 VanDerWaalsContact C-N 3.35Å; L20-Q22 VanDerWaalsContact C-N 3.26Å; L20-Q22 PolarHBondContact O-N 3.47Å; L20-A23 PolarHBondContact O-N 3.15Å; L20-A23 VanDerWaalsContact O-N 3.13Å; L20-G24 PolarHBondContact O-N 3.01Å; L20-F190 HydrophobicContact CD1-CD2 3.87Å; L20-F190 HydrophobicContact CD1-CE2 3.39Å; L20-F190 HydrophobicContact CD1-CZ 4.08Å; L20-F190 HydrophobicContact CD2-CD1 4.14Å; L20-F190 HydrophobicContact CD2-CD2 3.81Å; L20-F190 HydrophobicContact CD2-CE1 3.93Å; L20-F190 HydrophobicContact CD2-CE2 3.59Å; L20-F190 HydrophobicContact CD2-CG 4.1Å; L20-F190 HydrophobicContact CD2-CZ 3.66Å; L20-F190 HydrophobicContact CG-CD2 4.42Å; L20-F190 HydrophobicContact CG-CE2 4.14Å; L20-I206 HydrophobicContact CD1-CD1 4.38Å; L20-L325 HydrophobicContact CB-CD1 4.27Å; L20-L325 HydrophobicContact CB-CD2 3.39Å; L20-L325 HydrophobicContact CB-CG 4.3Å; L20-L325 HydrophobicContact CD1-CD2 3.98Å; L20-L325 HydrophobicContact CG-CD2 4.35Å; L20-V327 HydrophobicContact CB-CG1 4.08Å; L20-V327 HydrophobicContact CD2-CG1 4.18Å; L20-V327 HydrophobicContact CD2-CG2 4.21Å; L20-V327 WeakPolarHBondContact O-CG1 3.22Å
21I96Very high96.1Very high36 Ų3639.7 Ų39.719%0.18521%0.212CC..Hα-helixtrans-57.2-41.2173.1-74.9168.4000111L9 I17 E18 L325L9-I21 HydrophobicContact CD1-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CD1 4.02Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 2.82Å; E18-I21 PolarHBondContact O-N 2.85Å; I21-L325 HydrophobicContact CG1-CD1 4.15Å
22Q96Very high96.5Very high146 Ų14636.8 Ų36.868%0.68220%0.197SC*.Hα-helixtrans-72.2-35.3175.8-65.4177.913.600112.3E18 Q19 L20 G334E18-Q22 WeakPolarHBondContact O-CG 3.33Å; E18-Q22 PolarHBondContact O-N 2.75Å; Q19-Q22 PolarHBondContact O-N 3.38Å; L20-Q22 VanDerWaalsContact C-N 3.26Å; L20-Q22 PolarHBondContact O-N 3.47Å; Q22-G334 VanDerWaalsContact O-CA 3.22Å; Q22-G334 WeakPolarHBondContact O-CA 3.44Å; Q22-G334 PolarHBondContact O-N 2.81Å; Q22-G334 VanDerWaalsContact O-N 3.08Å
23A96.1Very high96.9Very high55 Ų5530.9 Ų30.946%0.45517%0.165SC..Hα-helixtrans-80.8-20.3-176.300000113.9Q19 L20 S333Q19-A23 WeakPolarHBondContact O-CB 3.24Å; Q19-A23 PolarHBondContact O-N 2.97Å; L20-A23 PolarHBondContact O-N 3.15Å; L20-A23 VanDerWaalsContact O-N 3.13Å; A23-S333 WeakPolarHBondContact O-CA 3.26Å; A23-S333 WeakPolarHBondContact O-CB 3.33Å; A23-S333 PolarHBondContact O-OG 3.03Å
24G97.7Very high97.1Very high1 Ų130 Ų301%0.0116%0.161CC..SBendtrans-130-157.3-172.700000115.3L20 A326 K332 G334 F335L20-G24 PolarHBondContact O-N 3.01Å; G24-A326 CarbonylContact C-O 3.51Å; G24-A326 WeakPolarHBondContact CA-O 3.45Å; G24-K332 CarbonylContact C-O 3.45Å; G24-K332 WeakPolarHBondContact CA-O 3.5Å; G24-G334 WeakPolarHBondContact O-CA 3.45Å; G24-G334 PolarHBondContact O-N 2.75Å; G24-F335 PolarHBondContact O-N 3.32Å
25S98.3Very high97.2Very high0 Ų030.1 Ų30.10%016%0.161CC..EExtended strand (participates in β ladder)trans-104.3135176.5-67.90000110.5A326 K332 F335 I372S25-A326 PolarHBondContact N-O 2.97Å; S25-A326 PolarHBondContact O-N 3.08Å; S25-K332 PolarHBondContact N-O 3.35Å; S25-K332 VanDerWaalsContact N-O 3.16Å; S25-K332 PolarHBondContact OG-N 2.95Å; S25-K332 PolarHBondContact OG-O 3.23Å; S25-F335 CarbonylContact C-O 3.55Å; S25-F335 VanDerWaalsContact CA-O 3.23Å; S25-F335 WeakPolarHBondContact CA-O 3.38Å; S25-I372 PolarHBondContact OG-O 3.2Å
26H97.3Very high97.2Very high31 Ų3127.1 Ų27.114%0.14414%0.142CC..EExtended strand (participates in β ladder)trans-139.7157.7177.566.2-75.5000111.3L325 F335 K336 S337H26-L325 HydrophobicContact CB-CD1 4.27Å; H26-F335 PolarHBondContact N-O 3.4Å; H26-F335 PolarHBondContact ND1-O 3.11Å; H26-K336 WeakPolarHBondContact NE2-CG 3.43Å; H26-K336 WeakPolarHBondContact O-CA 3.43Å; H26-S337 PolarHBondContact O-N 3.23Å
27A95.9Very high97.2Very high6 Ų627.6 Ų27.65%0.0514%0.143CC..  trans-97.4160.3168.800000110.1Y29 F324 F341A27-Y29 PolarHBondContact O-N 3.13Å; A27-F324 HydrophobicContact CB-CD1 4.11Å; A27-F324 PolarHBondContact N-O 2.69Å; A27-F341 HydrophobicContact CB-CD1 4.13Å; A27-F341 HydrophobicContact CB-CE1 3.74Å
28P95.1Very high97.2Very high40 Ų4027.8 Ų27.826%0.2614%0.144SC..SBendtrans-55-38.3170-22.834000111.4S337P28-S337 WeakPolarHBondContact CD-O 3.33Å
29Y96.9Very high97.2Very high32 Ų3225.9 Ų25.913%0.12514%0.135CC..  trans-172.5170.7171.148.4-90.7000108.5A27 Y31 R321 A322 P340 E663A27-Y29 PolarHBondContact O-N 3.13Å; Y29-Y31 HydrophobicContact CD2-CE1 4.36Å; Y29-Y31 HydrophobicContact CE2-CD1 4.35Å; Y29-Y31 AromaticContact CE2-CE1 3.7Å; Y29-Y31 HydrophobicContact CE2-CE1 3.7Å; Y29-Y31 AromaticContact CE2-CE2 3.92Å; Y29-Y31 HydrophobicContact CE2-CE2 3.92Å; Y29-Y31 AromaticContact CE2-CZ 3.47Å; Y29-Y31 VanDerWaalsContact CE2-CZ 3.47Å; Y29-Y31 WeakPolarHBondContact CE2-OH 3.49Å; Y29-Y31 PolarHBondContact OH-OH 3Å; Y29-R321 HydrophobicContact CD2-CB 4.16Å; Y29-R321 HydrophobicContact CD2-CG 3.7Å; Y29-R321 HydrophobicContact CE2-CG 4.09Å; Y29-R321 HydrophobicContact CG-CB 4.13Å; Y29-R321 HydrophobicContact CG-CG 4Å; Y29-R321 VanDerWaalsContact CZ-CZ 3.5Å; Y29-R321 PolarHBondContact OH-NH2 2.76Å; Y29-A322 CarbonylContact C-O 3.58Å; Y29-A322 WeakPolarHBondContact CA-O 3.29Å; Y29-P340 HydrophobicContact CD2-CB 3.61Å; Y29-P340 HydrophobicContact CD2-CG 4.35Å; Y29-P340 HydrophobicContact CE2-CB 3.42Å; Y29-P340 VanDerWaalsContact CE2-CB 3.42Å; Y29-P340 HydrophobicContact CE2-CG 3.66Å; Y29-P340 HydrophobicContact CG-CB 4.26Å; Y29-P340 WeakPolarHBondContact O-CA 3.19Å; Y29-P340 WeakPolarHBondContact O-CB 3.29Å; Y29-E663 PolarHBondContact OH-OE1 2.65Å
30M97.6Very high97.3Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-116.9141.7172.6-174178.267.900109.5L207 T208 A322 F324 F341 N343 I346M30-L207 HydrophobicContact CE-CB 4.26Å; M30-T208 WeakPolarHBondContact CE-O 3.23Å; M30-A322 HydrophobicContact CB-CB 4.39Å; M30-A322 HydrophobicContact CE-CB 4.18Å; M30-A322 PolarHBondContact N-O 3.14Å; M30-A322 PolarHBondContact O-N 2.93Å; M30-F324 HydrophobicContact CB-CB 4.02Å; M30-F324 HydrophobicContact SD-CB 4.32Å; M30-F341 WeakPolarHBondContact CA-O 3.4Å; M30-F341 HydrophobicContact CG-CD2 4.19Å; M30-F341 HydrophobicContact CG-CE2 3.9Å; M30-F341 HydrophobicContact CG-CZ 4.37Å; M30-F341 WeakPolarHBondContact CG-O 3.44Å; M30-F341 HydrophobicContact SD-CE2 3.74Å; M30-F341 HydrophobicContact SD-CZ 4.23Å; M30-N343 HydrophobicContact CE-CB 3.83Å; M30-N343 HydrophobicContact CG-CB 4.38Å; M30-N343 HydrophobicContact SD-CB 3.85Å; M30-I346 HydrophobicContact SD-CD1 4.27Å; M30-I346 HydrophobicContact SD-CG1 4.18Å
31Y98Very high97.4Very high4 Ų419.1 Ų19.12%0.01610%0.103CC..EExtended strand (participates in β ladder)trans-87.2140.4170.2-66-68.6000110.2Y29 Y315 P340 F341 Q342 N343 I661 E663Y29-Y31 HydrophobicContact CD2-CE1 4.36Å; Y29-Y31 HydrophobicContact CE2-CD1 4.35Å; Y29-Y31 AromaticContact CE2-CE1 3.7Å; Y29-Y31 HydrophobicContact CE2-CE1 3.7Å; Y29-Y31 AromaticContact CE2-CE2 3.92Å; Y29-Y31 HydrophobicContact CE2-CE2 3.92Å; Y29-Y31 AromaticContact CE2-CZ 3.47Å; Y29-Y31 VanDerWaalsContact CE2-CZ 3.47Å; Y29-Y31 WeakPolarHBondContact CE2-OH 3.49Å; Y29-Y31 PolarHBondContact OH-OH 3Å; Y31-Y315 AromaticContact CD1-CD2 3.82Å; Y31-Y315 HydrophobicContact CD1-CD2 3.82Å; Y31-Y315 VanDerWaalsContact CD1-O 3.24Å; Y31-Y315 WeakPolarHBondContact CD1-O 3.45Å; Y31-Y315 HydrophobicContact CE1-CD2 4.43Å; Y31-Y315 HydrophobicContact CG-CD2 4.16Å; Y31-P340 HydrophobicContact CD2-CB 4.15Å; Y31-P340 HydrophobicContact CD2-CG 4.4Å; Y31-P340 HydrophobicContact CE2-CB 3.8Å; Y31-P340 HydrophobicContact CE2-CG 3.61Å; Y31-F341 PolarHBondContact N-O 2.96Å; Y31-Q342 CarbonylContact O-C 3.47Å; Y31-Q342 WeakPolarHBondContact O-CA 3.41Å; Y31-N343 PolarHBondContact O-N 2.79Å; Y31-I661 HydrophobicContact CD2-CD1 3.58Å; Y31-I661 HydrophobicContact CD2-CG1 4.45Å; Y31-I661 HydrophobicContact CE2-CB 3.99Å; Y31-I661 HydrophobicContact CE2-CD1 3.73Å; Y31-I661 HydrophobicContact CE2-CG1 4.17Å; Y31-I661 HydrophobicContact CE2-CG2 4.45Å; Y31-I661 HydrophobicContact CG-CD1 4.14Å; Y31-E663 VanDerWaalsContact OH-CD 3.24Å; Y31-E663 WeakPolarHBondContact OH-CG 3.39Å; Y31-E663 PolarHBondContact OH-OE1 2.95Å
32G97.9Very high97.5Very high0 Ų017.7 Ų17.70%010%0.095CC..  trans-72.6175.7162.800000112.3N41 Y315G32-N41 WeakPolarHBondContact CA-OD1 3.42Å; G32-Y315 WeakPolarHBondContact O-CD1 3.4Å
33S98.3Very high97.6Very high0 Ų010.7 Ų10.70%06%0.063CC..PPolyproline II helixtrans-77.1156.4156.8-65.40000109.9P35 T36 N41 S44 N343S33-P35 CarbonylContact O-C 3.17Å; S33-T36 PolarHBondContact O-N 2.95Å; S33-N41 PolarHBondContact N-OD1 3.17Å; S33-N41 PolarHBondContact O-ND2 2.9Å; S33-N41 PolarHBondContact O-OD1 2.9Å; S33-S44 PolarHBondContact OG-OG 2.88Å; S33-S44 VanDerWaalsContact OG-OG 3.13Å; S33-N343 PolarHBondContact N-OD1 3.3Å; S33-N343 PolarHBondContact OG-OD1 3.48Å; S33-N343 VanDerWaalsContact OG-OD1 3.12Å
34Y98.5Very high97.7Very high1 Ų18.1 Ų8.10%0.0044%0.041CC..SBendtrans-87.7135.6171-178.9-86.9000110.4P51 V237 F275 Y277Y34-P51 WeakPolarHBondContact O-CG 3.49Å; Y34-V237 HydrophobicContact CE1-CG1 4.35Å; Y34-V237 HydrophobicContact CE2-CG2 3.92Å; Y34-V237 WeakPolarHBondContact OH-CG1 3.37Å; Y34-V237 VanDerWaalsContact OH-CG2 3.3Å; Y34-V237 WeakPolarHBondContact OH-CG2 3.45Å; Y34-F275 HydrophobicContact CD1-CB 3.76Å; Y34-F275 HydrophobicContact CD1-CD1 4.45Å; Y34-F275 AromaticContact CD1-CD2 3.92Å; Y34-F275 HydrophobicContact CD1-CD2 3.92Å; Y34-F275 AromaticContact CD1-CG 3.84Å; Y34-F275 HydrophobicContact CD1-CG 3.84Å; Y34-F275 AromaticContact CD2-CD1 3.8Å; Y34-F275 HydrophobicContact CD2-CD1 3.8Å; Y34-F275 HydrophobicContact CD2-CD2 4.06Å; Y34-F275 AromaticContact CD2-CE1 3.76Å; Y34-F275 HydrophobicContact CD2-CE1 3.76Å; Y34-F275 HydrophobicContact CD2-CE2 4.09Å; Y34-F275 AromaticContact CD2-CG 3.95Å; Y34-F275 HydrophobicContact CD2-CG 3.95Å; Y34-F275 AromaticContact CD2-CZ 3.95Å; Y34-F275 HydrophobicContact CD2-CZ 3.95Å; Y34-F275 HydrophobicContact CE1-CB 4.42Å; Y34-F275 AromaticContact CE1-CD2 3.81Å; Y34-F275 HydrophobicContact CE1-CD2 3.81Å; Y34-F275 HydrophobicContact CE1-CE2 4.27Å; Y34-F275 HydrophobicContact CE1-CG 4.23Å; Y34-F275 HydrophobicContact CE2-CD1 4.39Å; Y34-F275 AromaticContact CE2-CD2 3.95Å; Y34-F275 HydrophobicContact CE2-CD2 3.95Å; Y34-F275 HydrophobicContact CE2-CE1 4.09Å; Y34-F275 AromaticContact CE2-CE2 3.69Å; Y34-F275 HydrophobicContact CE2-CE2 3.69Å; Y34-F275 HydrophobicContact CE2-CG 4.32Å; Y34-F275 AromaticContact CE2-CZ 3.77Å; Y34-F275 HydrophobicContact CE2-CZ 3.77Å; Y34-F275 HydrophobicContact CG-CB 3.86Å; Y34-F275 AromaticContact CG-CD1 3.82Å; Y34-F275 HydrophobicContact CG-CD1 3.82Å; Y34-F275 HydrophobicContact CG-CD2 4.03Å; Y34-F275 HydrophobicContact CG-CE1 4.27Å; Y34-F275 AromaticContact CG-CG 3.68Å; Y34-F275 HydrophobicContact CG-CG 3.68Å; Y34-F275 AromaticContact CZ-CD2 3.81Å; Y34-F275 AromaticContact CZ-CE2 3.78Å; Y34-Y277 AromaticContact CD1-CD1 3.94Å; Y34-Y277 HydrophobicContact CD1-CD1 3.94Å; Y34-Y277 HydrophobicContact CD1-CD2 4.17Å; Y34-Y277 AromaticContact CD1-CG 3.67Å; Y34-Y277 HydrophobicContact CD1-CG 3.67Å; Y34-Y277 AromaticContact CE1-CD1 3.65Å; Y34-Y277 HydrophobicContact CE1-CD1 3.65Å; Y34-Y277 HydrophobicContact CE1-CE1 4.2Å; Y34-Y277 AromaticContact CE1-CG 3.91Å; Y34-Y277 HydrophobicContact CE1-CG 3.91Å; Y34-Y277 WeakPolarHBondContact O-CD2 3.48Å
35P98.4Very high97.7Very high2 Ų28.1 Ų8.11%0.0134%0.041CC..SBendcis-71.6156.1-10.732.1-37000110.9S33 K37 N41 V57 V237 Y277 G312S33-P35 CarbonylContact O-C 3.17Å; P35-K37 HydrophobicContact CB-CG 4.2Å; P35-K37 HydrophobicContact CG-CB 4.36Å; P35-K37 HydrophobicContact CG-CG 4.18Å; P35-K37 PolarHBondContact O-N 3.42Å; P35-N41 PolarHBondContact O-ND2 3.2Å; P35-V57 WeakPolarHBondContact CG-O 3.12Å; P35-V237 HydrophobicContact CB-CB 4.45Å; P35-V237 HydrophobicContact CB-CG2 4.17Å; P35-Y277 HydrophobicContact CG-CE2 4.21Å; P35-G312 VanDerWaalsContact CB-O 3.3Å; P35-G312 WeakPolarHBondContact CB-O 3.15Å
36T98.3Very high97.7Very high0 Ų08.1 Ų8.10%04%0.041CC..  trans-75.648.1176.751.20000112.7S33 N41 H210 H311 G312 Y313 M320S33-T36 PolarHBondContact O-N 2.95Å; T36-N41 WeakPolarHBondContact CA-ND2 3.47Å; T36-H210 WeakPolarHBondContact O-CB 3.31Å; T36-H210 PolarHBondContact O-CD2 3.05Å; T36-H210 VanDerWaalsContact O-CG 3.3Å; T36-H311 PolarHBondContact O-ND1 3.3Å; T36-G312 PolarHBondContact N-O 3.29Å; T36-G312 PolarHBondContact O-N 2.98Å; T36-G312 VanDerWaalsContact O-N 3.17Å; T36-G312 WeakPolarHBondContact OG1-CA 3.37Å; T36-G312 PolarHBondContact OG1-N 3.21Å; T36-Y313 WeakPolarHBondContact CG2-O 3.32Å; T36-Y313 PolarHBondContact OG1-N 3.32Å; T36-Y313 PolarHBondContact OG1-O 2.82Å; T36-M320 HydrophobicContact CG2-CB 4.23Å; T36-M320 HydrophobicContact CG2-CG 4.45Å; T36-M320 PolarHBondContact OG1-SD 3.29Å
37K97.6Very high97.8Very high23 Ų236.7 Ų6.710%0.13%0.034CC..  trans-94.8153.2177.5-74.3-61.9-166.9-171.90112P35 P40 N41 D310 H311P35-K37 HydrophobicContact CB-CG 4.2Å; P35-K37 HydrophobicContact CG-CB 4.36Å; P35-K37 HydrophobicContact CG-CG 4.18Å; P35-K37 PolarHBondContact O-N 3.42Å; K37-P40 HydrophobicContact CB-CG 3.96Å; K37-P40 WeakPolarHBondContact O-CD 3.37Å; K37-N41 PolarHBondContact N-ND2 2.93Å; K37-N41 WeakPolarHBondContact O-CB 3.36Å; K37-N41 PolarHBondContact O-N 2.59Å; K37-N41 VanDerWaalsContact O-N 3.07Å; K37-N41 PolarHBondContact O-ND2 2.97Å; K37-D310 IonicContact NZ-OD1 3.62Å; K37-D310 PolarHBondContact NZ-OD1 2.83Å; K37-H311 WeakPolarHBondContact CD-O 3.47Å; K37-H311 WeakPolarHBondContact CE-O 3.46Å; K37-H311 PolarHBondContact NZ-O 3.1Å
38T96.7Very high97.9Very high4 Ų46.4 Ų6.43%0.0253%0.032CC..Hα-helixtrans-54.1-62.5-172.4-44.40000113.2D2 N41 H42 D209 H210 H311D2-T38 WeakPolarHBondContact OD2-CG2 3.26Å; T38-N41 PolarHBondContact O-N 3.22Å; T38-H42 VanDerWaalsContact O-CB 3.27Å; T38-H42 WeakPolarHBondContact O-CB 3.45Å; T38-H42 PolarHBondContact O-N 2.72Å; T38-H42 PolarHBondContact O-ND1 3.29Å; T38-D209 WeakPolarHBondContact CA-OD2 3.31Å; T38-H210 PolarHBondContact OG1-NE2 2.82Å; T38-H311 PolarHBondContact OG1-CE1 3.22Å
39F97.2Very high98.1Very high20 Ų205.4 Ų5.49%0.0882%0.024CC..Hα-helixtrans-67.4-43.9-174.4-85.7-142.9000112.9N41 Y43 I56 N59 F75 M77 W86 P108F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.38Å; F39-Y43 WeakPolarHBondContact O-CB 3.29Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-I56 HydrophobicContact CB-CG2 3.86Å; F39-N59 WeakPolarHBondContact CB-OD1 3.11Å; F39-N59 PolarHBondContact N-OD1 3.33Å; F39-F75 AromaticContact CD1-CE1 3.88Å; F39-F75 HydrophobicContact CD1-CE1 3.88Å; F39-F75 AromaticContact CD1-CZ 3.75Å; F39-F75 HydrophobicContact CD1-CZ 3.75Å; F39-F75 HydrophobicContact CE1-CE1 4.39Å; F39-F75 HydrophobicContact CE1-CZ 4.13Å; F39-M77 HydrophobicContact CD1-CG 4.21Å; F39-M77 HydrophobicContact CD2-CE 4.29Å; F39-M77 HydrophobicContact CD2-CG 3.86Å; F39-M77 HydrophobicContact CD2-SD 4.25Å; F39-M77 HydrophobicContact CE1-CB 4.12Å; F39-M77 HydrophobicContact CE1-CG 3.94Å; F39-M77 HydrophobicContact CE2-CB 4.09Å; F39-M77 HydrophobicContact CE2-CE 3.68Å; F39-M77 HydrophobicContact CE2-CG 3.59Å; F39-M77 HydrophobicContact CE2-SD 4.1Å; F39-M77 HydrophobicContact CG-CG 4.18Å; F39-M77 HydrophobicContact CZ-CB 3.7Å; F39-M77 HydrophobicContact CZ-CE 4.31Å; F39-M77 HydrophobicContact CZ-CG 3.62Å; F39-W86 HydrophobicContact CD1-CH2 4.07Å; F39-W86 HydrophobicContact CE1-CH2 4.15Å; F39-P108 HydrophobicContact CD1-CB 4.18Å; F39-P108 HydrophobicContact CD2-CB 4.02Å; F39-P108 HydrophobicContact CD2-CG 3.83Å; F39-P108 HydrophobicContact CE1-CB 4.17Å; F39-P108 HydrophobicContact CE2-CB 3.97Å; F39-P108 HydrophobicContact CE2-CG 3.71Å; F39-P108 HydrophobicContact CG-CB 4.11Å; F39-P108 HydrophobicContact CG-CG 4.4Å; F39-P108 HydrophobicContact CZ-CB 4.06Å; F39-P108 HydrophobicContact CZ-CG 4.23Å
40P98.2Very high98.1Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-53.2-49.4173.4-30.537.5000112.6K37 Y43 S44 P51 H54 I56K37-P40 HydrophobicContact CB-CG 3.96Å; K37-P40 WeakPolarHBondContact O-CD 3.37Å; P40-Y43 PolarHBondContact O-N 3.38Å; P40-S44 WeakPolarHBondContact O-CB 3.19Å; P40-S44 PolarHBondContact O-N 2.78Å; P40-S44 PolarHBondContact O-OG 3.03Å; P40-P51 HydrophobicContact CB-CB 4.21Å; P40-P51 HydrophobicContact CB-CG 3.89Å; P40-H54 PolarHBondContact O-CE1 3.49Å; P40-H54 PolarHBondContact O-NE2 2.89Å; P40-H54 VanDerWaalsContact O-NE2 3.13Å; P40-I56 WeakPolarHBondContact CA-O 3.35Å; P40-I56 WeakPolarHBondContact CB-O 3.35Å; P40-I56 HydrophobicContact CG-CG2 4.46Å; P40-I56 WeakPolarHBondContact CG-O 3.46Å
41N98.6Very high98.2Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-74.6-40.3-175.9-77.6-88.4000113.2G32 S33 P35 T36 K37 T38 F39 Y43 S44 I45 D209 N343G32-N41 WeakPolarHBondContact CA-OD1 3.42Å; S33-N41 PolarHBondContact N-OD1 3.17Å; S33-N41 PolarHBondContact O-ND2 2.9Å; S33-N41 PolarHBondContact O-OD1 2.9Å; P35-N41 PolarHBondContact O-ND2 3.2Å; T36-N41 WeakPolarHBondContact CA-ND2 3.47Å; K37-N41 PolarHBondContact N-ND2 2.93Å; K37-N41 WeakPolarHBondContact O-CB 3.36Å; K37-N41 PolarHBondContact O-N 2.59Å; K37-N41 VanDerWaalsContact O-N 3.07Å; K37-N41 PolarHBondContact O-ND2 2.97Å; T38-N41 PolarHBondContact O-N 3.22Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.38Å; N41-Y43 PolarHBondContact O-N 3.4Å; N41-S44 WeakPolarHBondContact O-CB 3.43Å; N41-S44 PolarHBondContact O-N 3.16Å; N41-I45 WeakPolarHBondContact O-CD1 3.44Å; N41-I45 VanDerWaalsContact O-CG1 3.29Å; N41-I45 WeakPolarHBondContact O-CG1 3.39Å; N41-I45 PolarHBondContact O-N 3.33Å; N41-D209 HydrophobicContact CB-CB 3.8Å; N41-N343 PolarHBondContact OD1-ND2 2.95Å
42H98.2Very high98.1Very high6 Ų64.9 Ų4.93%0.0282%0.023CC..Hα-helixtrans-56.9-42.8173.4-84.378.3000111.1D2 T38 W107 P108 Y156 D209D2-H42 IonicContact OD2-CE1 2.74Å; T38-H42 VanDerWaalsContact O-CB 3.27Å; T38-H42 WeakPolarHBondContact O-CB 3.45Å; T38-H42 PolarHBondContact O-N 2.72Å; T38-H42 PolarHBondContact O-ND1 3.29Å; H42-W107 AromaticContact CD2-CE2 3.84Å; H42-W107 AromaticContact CD2-CZ2 3.95Å; H42-W107 PolarHBondContact O-NE1 2.83Å; H42-P108 HydrophobicContact CB-CB 4.29Å; H42-P108 HydrophobicContact CB-CG 3.76Å; H42-Y156 AromaticContact CD2-CD2 3.95Å; H42-Y156 AromaticContact CE1-CE2 3.71Å; H42-Y156 AromaticContact NE2-CD2 3.17Å; H42-Y156 WeakPolarHBondContact NE2-CD2 3.36Å; H42-Y156 AromaticContact NE2-CE2 3.34Å; H42-Y156 VanDerWaalsContact NE2-CE2 3.34Å; H42-Y156 WeakPolarHBondContact NE2-CE2 3.35Å; H42-D209 IonicContact CE1-OD1 3.18Å; H42-D209 IonicContact CE1-OD2 2.92Å; H42-D209 PolarHBondContact CE1-OD2 3.46Å; H42-D209 IonicContact ND1-OD2 3.35Å; H42-D209 PolarHBondContact ND1-OD2 2.89Å
43Y98.1Very high98.1Very high0 Ų07 Ų70%04%0.04CC..Hα-helixtrans-76.6-34.2-179.5-155.8-128.4000112.3F39 P40 N41 I45 V46 T47 H54 I56 W86 L87 P90 I114F39-Y43 WeakPolarHBondContact O-CB 3.29Å; F39-Y43 PolarHBondContact O-N 2.93Å; P40-Y43 PolarHBondContact O-N 3.38Å; N41-Y43 PolarHBondContact O-N 3.4Å; Y43-I45 PolarHBondContact O-N 3.34Å; Y43-V46 HydrophobicContact CD2-CG2 3.84Å; Y43-V46 HydrophobicContact CE2-CG2 4.35Å; Y43-V46 WeakPolarHBondContact O-CG2 3.48Å; Y43-V46 PolarHBondContact O-N 3.49Å; Y43-T47 HydrophobicContact CD1-CG2 4.12Å; Y43-T47 HydrophobicContact CD2-CG2 4.13Å; Y43-T47 HydrophobicContact CE1-CG2 3.83Å; Y43-T47 HydrophobicContact CE2-CG2 3.81Å; Y43-T47 HydrophobicContact CG-CG2 4.24Å; Y43-T47 WeakPolarHBondContact O-CB 3.26Å; Y43-T47 WeakPolarHBondContact O-CG2 3.44Å; Y43-T47 PolarHBondContact O-N 3.19Å; Y43-T47 PolarHBondContact O-OG1 2.79Å; Y43-H54 HydrophobicContact CD1-CB 3.72Å; Y43-H54 AromaticContact CD1-CE1 3.99Å; Y43-H54 AromaticContact CD1-CG 3.59Å; Y43-H54 AromaticContact CD1-ND1 3.46Å; Y43-H54 WeakPolarHBondContact CD1-ND1 3.5Å; Y43-H54 HydrophobicContact CE1-CB 3.76Å; Y43-I56 HydrophobicContact CD1-CB 4.4Å; Y43-I56 HydrophobicContact CD1-CG1 3.71Å; Y43-I56 HydrophobicContact CE1-CG1 4.22Å; Y43-I56 HydrophobicContact CG-CG1 4.39Å; Y43-W86 HydrophobicContact CD1-CE3 4.15Å; Y43-W86 HydrophobicContact CD1-CZ3 4.47Å; Y43-W86 AromaticContact CD2-CE3 3.94Å; Y43-W86 HydrophobicContact CD2-CE3 3.94Å; Y43-W86 AromaticContact CD2-CZ3 3.96Å; Y43-W86 HydrophobicContact CD2-CZ3 3.96Å; Y43-W86 AromaticContact CE1-CE3 4Å; Y43-W86 HydrophobicContact CE1-CE3 4Å; Y43-W86 AromaticContact CE2-CE3 3.8Å; Y43-W86 HydrophobicContact CE2-CE3 3.8Å; Y43-W86 HydrophobicContact CE2-CZ3 4.26Å; Y43-W86 HydrophobicContact CG-CE3 4.16Å; Y43-W86 HydrophobicContact CG-CZ3 4.11Å; Y43-W86 AromaticContact CZ-CE3 3.86Å; Y43-L87 WeakPolarHBondContact CE1-O 3.19Å; Y43-L87 VanDerWaalsContact CZ-O 3.32Å; Y43-L87 PolarHBondContact OH-O 3.03Å; Y43-P90 HydrophobicContact CE2-CB 4.27Å; Y43-I114 HydrophobicContact CE2-CD1 3.94Å
44S98.7Very high98Very high0 Ų07 Ų70%04%0.04CC..Hα-helixtrans-55.7-45.6169.5-680000112.1S33 P40 N41 V46 T47 G48 L49 H54S33-S44 PolarHBondContact OG-OG 2.88Å; S33-S44 VanDerWaalsContact OG-OG 3.13Å; P40-S44 WeakPolarHBondContact O-CB 3.19Å; P40-S44 PolarHBondContact O-N 2.78Å; P40-S44 PolarHBondContact O-OG 3.03Å; N41-S44 WeakPolarHBondContact O-CB 3.43Å; N41-S44 PolarHBondContact O-N 3.16Å; S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 PolarHBondContact O-N 3.17Å; S44-T47 PolarHBondContact O-N 3.43Å; S44-G48 WeakPolarHBondContact O-CA 3.33Å; S44-G48 PolarHBondContact O-N 2.91Å; S44-L49 WeakPolarHBondContact CA-O 3.35Å; S44-L49 WeakPolarHBondContact CB-O 3.35Å; S44-L49 PolarHBondContact OG-O 3.33Å; S44-L49 VanDerWaalsContact OG-O 3.08Å; S44-H54 PolarHBondContact N-NE2 3.15Å; S44-H54 PolarHBondContact OG-NE2 2.93Å
45I98.6Very high97.9Very high2 Ų26.9 Ų6.91%0.014%0.04CC..Hα-helixtrans-57.1-39.9179.6-72.4157.7000112.2N41 Y43 W107 L207 D209 N343 I346N41-I45 WeakPolarHBondContact O-CD1 3.44Å; N41-I45 VanDerWaalsContact O-CG1 3.29Å; N41-I45 WeakPolarHBondContact O-CG1 3.39Å; N41-I45 PolarHBondContact O-N 3.33Å; Y43-I45 PolarHBondContact O-N 3.34Å; I45-W107 HydrophobicContact CB-CZ2 3.99Å; I45-W107 HydrophobicContact CD1-CZ2 4.24Å; I45-W107 HydrophobicContact CG2-CH2 4.04Å; I45-W107 HydrophobicContact CG2-CZ2 3.71Å; I45-L207 HydrophobicContact CD1-CD1 3.76Å; I45-L207 HydrophobicContact CG2-CD2 4.22Å; I45-D209 HydrophobicContact CD1-CB 4.3Å; I45-N343 HydrophobicContact CD1-CB 4.46Å; I45-N343 HydrophobicContact CG1-CB 3.76Å; I45-I346 HydrophobicContact CG2-CB 4.37Å; I45-I346 HydrophobicContact CG2-CG2 4.05Å
46V98.2Very high97.9Very high0 Ų06.8 Ų6.80%04%0.039CC..Hα-helixtrans-95.8-12.4-172.7-620000113.7Y43 S44 P90 I91 W92 W107 Y347Y43-V46 HydrophobicContact CD2-CG2 3.84Å; Y43-V46 HydrophobicContact CE2-CG2 4.35Å; Y43-V46 WeakPolarHBondContact O-CG2 3.48Å; Y43-V46 PolarHBondContact O-N 3.49Å; S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 PolarHBondContact O-N 3.17Å; V46-P90 HydrophobicContact CB-CB 4.4Å; V46-P90 HydrophobicContact CG2-CB 4.07Å; V46-P90 CarbonylContact O-C 3.56Å; V46-P90 VanDerWaalsContact O-CA 3.24Å; V46-P90 WeakPolarHBondContact O-CA 3.38Å; V46-I91 HydrophobicContact CB-CG2 4.14Å; V46-I91 HydrophobicContact CG1-CG2 4.33Å; V46-I91 PolarHBondContact O-N 3.26Å; V46-W92 HydrophobicContact CB-CE3 4.34Å; V46-W92 HydrophobicContact CB-CH2 4.32Å; V46-W92 HydrophobicContact CB-CZ3 3.8Å; V46-W92 HydrophobicContact CG1-CE3 4.4Å; V46-W92 HydrophobicContact CG1-CZ3 3.79Å; V46-W92 HydrophobicContact CG2-CH2 3.71Å; V46-W92 HydrophobicContact CG2-CZ3 3.69Å; V46-W107 HydrophobicContact CG1-CD2 4.17Å; V46-W107 VanDerWaalsContact CG1-CE2 3.43Å; V46-W107 HydrophobicContact CG1-CG 4.47Å; V46-W107 HydrophobicContact CG1-CZ2 3.68Å; V46-W107 VanDerWaalsContact CG1-NE1 3.31Å; V46-Y347 VanDerWaalsContact O-CD2 3.25Å; V46-Y347 WeakPolarHBondContact O-CD2 3.47Å
47T98.5Very high97.9Very high1 Ų16.8 Ų6.81%0.0064%0.039CC..Hα-helixtrans-106.5-19.9175.556.80000112.7Y43 S44 L49 P90 N362Y43-T47 HydrophobicContact CD1-CG2 4.12Å; Y43-T47 HydrophobicContact CD2-CG2 4.13Å; Y43-T47 HydrophobicContact CE1-CG2 3.83Å; Y43-T47 HydrophobicContact CE2-CG2 3.81Å; Y43-T47 HydrophobicContact CG-CG2 4.24Å; Y43-T47 WeakPolarHBondContact O-CB 3.26Å; Y43-T47 WeakPolarHBondContact O-CG2 3.44Å; Y43-T47 PolarHBondContact O-N 3.19Å; Y43-T47 PolarHBondContact O-OG1 2.79Å; S44-T47 PolarHBondContact O-N 3.43Å; T47-L49 PolarHBondContact O-N 3.27Å; T47-L49 PolarHBondContact OG1-N 3.17Å; T47-P90 HydrophobicContact CG2-CB 4.34Å; T47-N362 WeakPolarHBondContact O-CB 3.2Å
48G98.4Very high97.8Very high0 Ų06.3 Ų6.30%04%0.038CC..  trans6516.5-16900000113.1S44 I344 N363 G364S44-G48 WeakPolarHBondContact O-CA 3.33Å; S44-G48 PolarHBondContact O-N 2.91Å; G48-I344 WeakPolarHBondContact CA-O 3.17Å; G48-N363 WeakPolarHBondContact O-CA 3.45Å; G48-N363 WeakPolarHBondContact O-CB 3.47Å; G48-N363 PolarHBondContact O-N 3.35Å; G48-G364 PolarHBondContact O-N 3.14Å
49L98.5Very high97.8Very high19 Ų197.5 Ų7.510%0.0994%0.044CC..  trans-105.7154.4-177.6-68.5170.7000110.8S44 T47 A53 H54 I344 N363S44-L49 WeakPolarHBondContact CA-O 3.35Å; S44-L49 WeakPolarHBondContact CB-O 3.35Å; S44-L49 PolarHBondContact OG-O 3.33Å; S44-L49 VanDerWaalsContact OG-O 3.08Å; T47-L49 PolarHBondContact O-N 3.27Å; T47-L49 PolarHBondContact OG1-N 3.17Å; L49-A53 HydrophobicContact CB-CB 4.25Å; L49-A53 HydrophobicContact CD2-CB 4.18Å; L49-H54 HydrophobicContact CB-CB 3.91Å; L49-H54 HydrophobicContact CD1-CB 4.01Å; L49-H54 PolarHBondContact O-CD2 2.87Å; L49-I344 WeakPolarHBondContact O-CG2 3.13Å; L49-N363 VanDerWaalsContact CA-OD1 3.27Å; L49-N363 WeakPolarHBondContact CA-OD1 3.41Å; L49-N363 WeakPolarHBondContact CD2-OD1 3.42Å
50Y98.4Very high97.7Very high4 Ų411.2 Ų11.22%0.0166%0.06CC..  trans-73.9158.4167.2-67.5-62.8000112.1E52 A53 H54 H276 Q342 I344 N363 R633Y50-E52 VanDerWaalsContact C-N 3.29Å; Y50-E52 PolarHBondContact O-N 3.46Å; Y50-A53 PolarHBondContact O-N 3.22Å; Y50-H54 PolarHBondContact O-CD2 2.71Å; Y50-H54 PolarHBondContact O-N 2.98Å; Y50-H276 HydrophobicContact CD1-CB 3.78Å; Y50-H276 HydrophobicContact CD2-CB 3.52Å; Y50-H276 AromaticContact CD2-CD2 3.93Å; Y50-H276 AromaticContact CD2-CG 3.39Å; Y50-H276 AromaticContact CD2-ND1 3.65Å; Y50-H276 HydrophobicContact CE1-CB 4.27Å; Y50-H276 AromaticContact CE1-CD2 3.69Å; Y50-H276 HydrophobicContact CE2-CB 4.04Å; Y50-H276 AromaticContact CE2-CD2 3.48Å; Y50-H276 VanDerWaalsContact CE2-CD2 3.48Å; Y50-H276 WeakPolarHBondContact CE2-CD2 3.32Å; Y50-H276 AromaticContact CE2-CE1 3.71Å; Y50-H276 AromaticContact CE2-CG 3.39Å; Y50-H276 AromaticContact CE2-ND1 3.54Å; Y50-H276 AromaticContact CE2-NE2 3.67Å; Y50-H276 HydrophobicContact CG-CB 3.38Å; Y50-H276 AromaticContact CG-CG 3.73Å; Y50-H276 AromaticContact CZ-CD2 3.34Å; Y50-H276 AromaticContact CZ-CG 3.73Å; Y50-H276 AromaticContact CZ-NE2 3.67Å; Y50-Q342 PolarHBondContact OH-OE1 2.87Å; Y50-I344 HydrophobicContact CD1-CD1 4.48Å; Y50-I344 HydrophobicContact CD1-CG2 4.09Å; Y50-I344 HydrophobicContact CE1-CD1 3.69Å; Y50-I344 HydrophobicContact CE1-CG1 4.23Å; Y50-I344 HydrophobicContact CE1-CG2 4.16Å; Y50-I344 HydrophobicContact CE2-CD1 3.98Å; Y50-I344 VanDerWaalsContact OH-CD1 3.26Å; Y50-I344 WeakPolarHBondContact OH-CD1 3.49Å; Y50-N363 HydrophobicContact CD2-CB 3.73Å; Y50-N363 HydrophobicContact CE2-CB 3.7Å; Y50-N363 PolarHBondContact N-OD1 2.9Å; Y50-R633 PolarHBondContact OH-NH1 3.26Å; Y50-R633 PolarHBondContact OH-NH2 3.17Å
51P98.3Very high97.5Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-51.2-41.6179-33.841.2000115.6Y34 P40 A53 H54 G55 I56 Y277Y34-P51 WeakPolarHBondContact O-CG 3.49Å; P40-P51 HydrophobicContact CB-CB 4.21Å; P40-P51 HydrophobicContact CB-CG 3.89Å; P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 2.75Å; P51-H54 VanDerWaalsContact CA-CE1 3.42Å; P51-H54 WeakPolarHBondContact CA-CE1 3.46Å; P51-H54 WeakPolarHBondContact CA-NE2 3.2Å; P51-G55 WeakPolarHBondContact O-CA 3.48Å; P51-G55 PolarHBondContact O-N 2.81Å; P51-I56 WeakPolarHBondContact CB-O 3.24Å; P51-I56 PolarHBondContact O-N 3.42Å; P51-Y277 HydrophobicContact CB-CD2 4.33Å; P51-Y277 HydrophobicContact CB-CE2 4.36Å
52E97.2Very high97.3Very high20 Ų2012.7 Ų12.79%0.0937%0.066CC..Hα-helixtrans-63.5-30.9176.869.8-172.4167.400113.2Y50 H276 Y277 S278 S279 I283Y50-E52 VanDerWaalsContact C-N 3.29Å; Y50-E52 PolarHBondContact O-N 3.46Å; E52-H276 VanDerWaalsContact CG-O 3.27Å; E52-H276 WeakPolarHBondContact CG-O 3.4Å; E52-H276 WeakPolarHBondContact OE1-CA 3.19Å; E52-H276 WeakPolarHBondContact OE1-CB 3.37Å; E52-H276 VanDerWaalsContact OE2-C 3.22Å; E52-Y277 PolarHBondContact OE2-N 3.37Å; E52-Y277 VanDerWaalsContact OE2-N 3.17Å; E52-S278 PolarHBondContact OE2-N 2.79Å; E52-S279 VanDerWaalsContact OE2-CB 3.31Å; E52-S279 WeakPolarHBondContact OE2-CB 3.45Å; E52-S279 PolarHBondContact OE2-N 3.15Å; E52-I283 HydrophobicContact CB-CD1 4.45Å
53A97.2Very high97.1Very high44 Ų4413 Ų1336%0.3647%0.068SC..Hα-helixtrans-88.4-36.1-176.400000113.2L49 Y50 P51L49-A53 HydrophobicContact CB-CB 4.25Å; L49-A53 HydrophobicContact CD2-CB 4.18Å; Y50-A53 PolarHBondContact O-N 3.22Å; P51-A53 VanDerWaalsContact C-N 3.26Å; P51-A53 PolarHBondContact O-N 2.75Å
54H97.3Very high96.7Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-89.3-4.5174.866.259.8000113.5P40 Y43 S44 L49 Y50 P51 I56 L87P40-H54 PolarHBondContact O-CE1 3.49Å; P40-H54 PolarHBondContact O-NE2 2.89Å; P40-H54 VanDerWaalsContact O-NE2 3.13Å; Y43-H54 HydrophobicContact CD1-CB 3.72Å; Y43-H54 AromaticContact CD1-CE1 3.99Å; Y43-H54 AromaticContact CD1-CG 3.59Å; Y43-H54 AromaticContact CD1-ND1 3.46Å; Y43-H54 WeakPolarHBondContact CD1-ND1 3.5Å; Y43-H54 HydrophobicContact CE1-CB 3.76Å; S44-H54 PolarHBondContact N-NE2 3.15Å; S44-H54 PolarHBondContact OG-NE2 2.93Å; L49-H54 HydrophobicContact CB-CB 3.91Å; L49-H54 HydrophobicContact CD1-CB 4.01Å; L49-H54 PolarHBondContact O-CD2 2.87Å; Y50-H54 PolarHBondContact O-CD2 2.71Å; Y50-H54 PolarHBondContact O-N 2.98Å; P51-H54 VanDerWaalsContact CA-CE1 3.42Å; P51-H54 WeakPolarHBondContact CA-CE1 3.46Å; P51-H54 WeakPolarHBondContact CA-NE2 3.2Å; H54-I56 VanDerWaalsContact C-N 3.31Å; H54-I56 PolarHBondContact CE1-O 3.44Å; H54-I56 PolarHBondContact ND1-N 3.22Å; H54-I56 VanDerWaalsContact ND1-N 3.18Å; H54-I56 PolarHBondContact O-N 2.84Å; H54-L87 WeakPolarHBondContact O-CB 3.4Å; H54-L87 PolarHBondContact O-N 3.31Å; H54-L87 VanDerWaalsContact O-N 3.09Å
55G96.4Very high96.3Very high0 Ų023.1 Ų23.10%012%0.121CC..SBendtrans78.84.6169.300000115.7P51 R282P51-G55 WeakPolarHBondContact O-CA 3.48Å; P51-G55 PolarHBondContact O-N 2.81Å; G55-R282 VanDerWaalsContact C-NH1 3.34Å; G55-R282 VanDerWaalsContact CA-NH1 3.33Å; G55-R282 WeakPolarHBondContact O-CD 2.99Å; G55-R282 PolarHBondContact O-NH1 2.99Å
56I97.4Very high95.9Very high0 Ų023.4 Ų23.40%012%0.123CC..  trans-105.988.8176.4-51.6-60.2000106.6F39 P40 Y43 P51 H54 M61 F75 W85 W86F39-I56 HydrophobicContact CB-CG2 3.86Å; P40-I56 WeakPolarHBondContact CA-O 3.35Å; P40-I56 WeakPolarHBondContact CB-O 3.35Å; P40-I56 HydrophobicContact CG-CG2 4.46Å; P40-I56 WeakPolarHBondContact CG-O 3.46Å; Y43-I56 HydrophobicContact CD1-CB 4.4Å; Y43-I56 HydrophobicContact CD1-CG1 3.71Å; Y43-I56 HydrophobicContact CE1-CG1 4.22Å; Y43-I56 HydrophobicContact CG-CG1 4.39Å; P51-I56 WeakPolarHBondContact CB-O 3.24Å; P51-I56 PolarHBondContact O-N 3.42Å; H54-I56 VanDerWaalsContact C-N 3.31Å; H54-I56 PolarHBondContact CE1-O 3.44Å; H54-I56 PolarHBondContact ND1-N 3.22Å; H54-I56 VanDerWaalsContact ND1-N 3.18Å; H54-I56 PolarHBondContact O-N 2.84Å; I56-M61 HydrophobicContact CB-CE 4.49Å; I56-M61 HydrophobicContact CD1-CE 3.91Å; I56-M61 HydrophobicContact CG2-CE 4.16Å; I56-F75 HydrophobicContact CD1-CE2 3.97Å; I56-F75 HydrophobicContact CD1-CZ 4.03Å; I56-F75 HydrophobicContact CG2-CE1 4.49Å; I56-F75 HydrophobicContact CG2-CZ 4.4Å; I56-W85 HydrophobicContact CD1-CB 4.19Å; I56-W85 WeakPolarHBondContact CD1-O 3.23Å; I56-W86 HydrophobicContact CD1-CD2 4.12Å; I56-W86 HydrophobicContact CD1-CE3 3.97Å; I56-W86 HydrophobicContact CD1-CZ3 4.24Å; I56-W86 HydrophobicContact CG1-CE3 3.94Å; I56-W86 HydrophobicContact CG1-CZ3 4.07Å
57V97.4Very high95.4Very high0 Ų024.1 Ų24.10%013%0.131CC..  trans-91.7-19.6-170.8-52.40000112.7P35 M61 Y277 R282 I283P35-V57 WeakPolarHBondContact CG-O 3.12Å; V57-M61 HydrophobicContact CB-SD 4.23Å; V57-M61 HydrophobicContact CG2-CG 3.98Å; V57-M61 HydrophobicContact CG2-SD 3.53Å; V57-M61 VanDerWaalsContact CG2-SD 3.53Å; V57-M61 PolarHBondContact N-SD 2.85Å; V57-Y277 HydrophobicContact CB-CE2 3.61Å; V57-Y277 HydrophobicContact CG1-CE2 4.3Å; V57-Y277 WeakPolarHBondContact O-CE2 3.35Å; V57-Y277 PolarHBondContact O-OH 3.04Å; V57-Y277 VanDerWaalsContact O-OH 3.06Å; V57-R282 HydrophobicContact CG1-CB 4.29Å; V57-R282 HydrophobicContact CG2-CB 3.79Å; V57-R282 WeakPolarHBondContact CG2-O 3.43Å; V57-I283 HydrophobicContact CB-CG1 4.01Å; V57-I283 HydrophobicContact CG1-CG1 3.89Å; V57-I283 HydrophobicContact CG2-CG1 4.09Å
58D97.2Very high94.9Very high13 Ų1331.7 Ų31.77%0.0717%0.169CC..SBendtrans-157.5170.2-179.9-159-11.2000110.8K60 M61 R239D58-K60 VanDerWaalsContact C-N 3.27Å; D58-M61 HydrophobicContact CB-CG 3.95Å; D58-R239 IonicContact OD2-CZ 2.63Å; D58-R239 IonicContact OD2-NE 3.5Å; D58-R239 PolarHBondContact OD2-NE 3.26Å; D58-R239 IonicContact OD2-NH2 3.99Å; D58-R239 PolarHBondContact OD2-NH2 3.16Å
59N95.4Very high94.6Very high28 Ų2835 Ų3515%0.1519%0.19CC..SBendtrans-74.6-17.9174.9-72.8-4.6000112.6F39 T76 M77F39-N59 WeakPolarHBondContact CB-OD1 3.11Å; F39-N59 PolarHBondContact N-OD1 3.33Å; N59-T76 WeakPolarHBondContact O-CA 3.42Å; N59-M77 HydrophobicContact CB-CG 4.06Å; N59-M77 HydrophobicContact CB-SD 4Å; N59-M77 PolarHBondContact O-N 3.18Å
60K95Very high94.1Very high99 Ų9940.4 Ų40.443%0.4321%0.214SC..EExtended strand (participates in β ladder)trans-135.1124.9172.3-179.2179.1-179-173.40108.9D58 F75 T76 F233 R239D58-K60 VanDerWaalsContact C-N 3.27Å; K60-F75 CarbonylContact C-O 3.57Å; K60-F75 VanDerWaalsContact CA-O 3.27Å; K60-F75 WeakPolarHBondContact CA-O 3.48Å; K60-T76 HydrophobicContact CG-CG2 4.3Å; K60-F233 HydrophobicContact CB-CD1 4.49Å; K60-F233 HydrophobicContact CD-CD1 4.26Å; K60-F233 HydrophobicContact CD-CE1 4.48Å; K60-F233 HydrophobicContact CG-CD1 4.02Å; K60-F233 HydrophobicContact CG-CE1 4.1Å; K60-R239 PolarHBondContact O-NH2 3.24Å
61M94.9Very high93.6Very high0 Ų046.9 Ų46.90%025%0.245CC..EExtended strand (participates in β ladder)trans-138.4160.7-177.8-52.4174.9-74.600110.6I56 V57 D58 F75 W85 R282I56-M61 HydrophobicContact CB-CE 4.49Å; I56-M61 HydrophobicContact CD1-CE 3.91Å; I56-M61 HydrophobicContact CG2-CE 4.16Å; V57-M61 HydrophobicContact CB-SD 4.23Å; V57-M61 HydrophobicContact CG2-CG 3.98Å; V57-M61 HydrophobicContact CG2-SD 3.53Å; V57-M61 VanDerWaalsContact CG2-SD 3.53Å; V57-M61 PolarHBondContact N-SD 2.85Å; D58-M61 HydrophobicContact CB-CG 3.95Å; M61-F75 HydrophobicContact CB-CB 4.07Å; M61-F75 HydrophobicContact CE-CB 3.82Å; M61-F75 HydrophobicContact CE-CD1 3.29Å; M61-F75 HydrophobicContact CE-CD2 3.86Å; M61-F75 HydrophobicContact CE-CE1 3.68Å; M61-F75 HydrophobicContact CE-CE2 4.18Å; M61-F75 HydrophobicContact CE-CG 3.38Å; M61-F75 HydrophobicContact CE-CZ 4.09Å; M61-F75 PolarHBondContact N-O 2.91Å; M61-F75 PolarHBondContact O-N 3.26Å; M61-W85 HydrophobicContact CB-CZ3 4.31Å; M61-W85 HydrophobicContact CE-CE3 4.12Å; M61-W85 HydrophobicContact CE-CZ3 4.48Å; M61-R282 HydrophobicContact SD-CB 4.47Å
62Y93.8Very high93.2Very high30 Ų3049.3 Ų49.312%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-131.5139.3170.5-179-96.8000109.5P64 H73 E231 M241Y62-P64 HydrophobicContact CE1-CB 4.25Å; Y62-P64 HydrophobicContact CE1-CG 4.25Å; Y62-H73 CarbonylContact C-O 3.56Å; Y62-H73 VanDerWaalsContact CA-O 3.27Å; Y62-H73 WeakPolarHBondContact CA-O 3.34Å; Y62-H73 HydrophobicContact CD2-CB 4.03Å; Y62-H73 WeakPolarHBondContact CD2-O 3.44Å; Y62-H73 HydrophobicContact CE2-CB 3.54Å; Y62-E231 WeakPolarHBondContact CD1-OE2 3.39Å; Y62-M241 HydrophobicContact CD1-CE 4.06Å; Y62-M241 HydrophobicContact CD1-SD 4.14Å
63D94Very high93Very high12 Ų1249.2 Ų49.26%0.06426%0.257CS..  trans-155.4105.2179.4-169.2-20.8000109.8E65 V66 H73 W85 R282D63-E65 PolarHBondContact O-N 2.99Å; D63-E65 VanDerWaalsContact O-N 3.14Å; D63-E65 WeakPolarHBondContact OD1-CB 3.41Å; D63-E65 PolarHBondContact OD1-N 3.33Å; D63-V66 HydrophobicContact CB-CB 4.18Å; D63-V66 HydrophobicContact CB-CG2 3.68Å; D63-V66 VanDerWaalsContact CG-CG2 3.46Å; D63-V66 PolarHBondContact O-N 3.47Å; D63-V66 VanDerWaalsContact OD2-CG2 3.26Å; D63-V66 WeakPolarHBondContact OD2-CG2 3.31Å; D63-H73 PolarHBondContact N-O 3.22Å; D63-H73 WeakPolarHBondContact O-CA 3.31Å; D63-H73 PolarHBondContact O-ND1 3.4Å; D63-W85 HydrophobicContact CB-CH2 3.36Å; D63-W85 HydrophobicContact CB-CZ2 4.45Å; D63-W85 HydrophobicContact CB-CZ3 3.49Å; D63-W85 VanDerWaalsContact CB-CZ3 3.49Å; D63-R282 HydrophobicContact CB-CG 4.08Å; D63-R282 WeakPolarHBondContact OD2-CG 3.38Å; D63-R282 IonicContact OD2-NE 3.63Å; D63-R282 PolarHBondContact OD2-NE 2.96Å
64P90.3Very high92.8Very high68 Ų6849.9 Ų49.944%0.44225%0.254SS..THydrogen-bonded Turntrans-67.3-12.7-178.928.9-33.9000112.8Y62 H73Y62-P64 HydrophobicContact CE1-CB 4.25Å; Y62-P64 HydrophobicContact CE1-CG 4.25Å; P64-H73 WeakPolarHBondContact CA-ND1 3.33Å; P64-H73 PolarHBondContact O-CE1 2.99Å; P64-H73 PolarHBondContact O-ND1 3.01Å
65E90.4Very high92.7Very high146 Ų14649.9 Ų49.968%0.68225%0.254SS*.THydrogen-bonded Turntrans-90.9-11.9-178.7-57.1-173.6158.300112.9D63 G67D63-E65 PolarHBondContact O-N 2.99Å; D63-E65 VanDerWaalsContact O-N 3.14Å; D63-E65 WeakPolarHBondContact OD1-CB 3.41Å; D63-E65 PolarHBondContact OD1-N 3.33Å; E65-G67 VanDerWaalsContact C-N 3.34Å; E65-G67 PolarHBondContact O-N 3.48Å
66V89.5Confident92.5Very high7 Ų751.2 Ų51.24%0.04226%0.263CS..SBendtrans-76.1-19.3-175.11660000113D63 N82 K84 W85D63-V66 HydrophobicContact CB-CB 4.18Å; D63-V66 HydrophobicContact CB-CG2 3.68Å; D63-V66 VanDerWaalsContact CG-CG2 3.46Å; D63-V66 PolarHBondContact O-N 3.47Å; D63-V66 VanDerWaalsContact OD2-CG2 3.26Å; D63-V66 WeakPolarHBondContact OD2-CG2 3.31Å; V66-N82 VanDerWaalsContact CG1-ND2 3.27Å; V66-N82 WeakPolarHBondContact CG1-ND2 3.35Å; V66-N82 PolarHBondContact O-ND2 3.26Å; V66-N82 VanDerWaalsContact O-ND2 3.1Å; V66-K84 HydrophobicContact CG1-CB 3.93Å; V66-K84 WeakPolarHBondContact O-CD 3.4Å; V66-K84 PolarHBondContact O-NZ 2.93Å; V66-W85 HydrophobicContact CB-CD2 4.48Å; V66-W85 HydrophobicContact CB-CH2 4.2Å; V66-W85 HydrophobicContact CB-CZ2 4.05Å; V66-W85 HydrophobicContact CB-CZ3 4.46Å; V66-W85 HydrophobicContact CG1-CD2 3.74Å; V66-W85 VanDerWaalsContact CG1-CE2 3.45Å; V66-W85 HydrophobicContact CG1-CE3 4.29Å; V66-W85 HydrophobicContact CG1-CG 4.14Å; V66-W85 HydrophobicContact CG1-CH2 4.33Å; V66-W85 HydrophobicContact CG1-CZ2 3.77Å; V66-W85 HydrophobicContact CG2-CD2 4.31Å; V66-W85 HydrophobicContact CG2-CE3 4.03Å; V66-W85 HydrophobicContact CG2-CH2 4.15Å; V66-W85 HydrophobicContact CG2-CZ2 4.41Å; V66-W85 HydrophobicContact CG2-CZ3 3.94Å
67G87.6Confident92Very high16 Ų1655.4 Ų55.417%0.16528%0.283CS..  trans-158.1-156-178.300000114.9E65 H73E65-G67 VanDerWaalsContact C-N 3.34Å; E65-G67 PolarHBondContact O-N 3.48Å; G67-H73 VanDerWaalsContact C-CE1 3.45Å; G67-H73 PolarHBondContact O-CE1 3.04Å; G67-H73 VanDerWaalsContact O-CE1 3.27Å
68I88.9Confident91.5Very high159 Ų15961.4 Ų61.482%0.81532%0.32SS*.SBendtrans-118.6-31.2-179-56.6175.1000110.6D72I68-D72 PolarHBondContact N-OD2 3.25Å
69T91.3Very high91Very high70 Ų7063.6 Ų63.643%0.42933%0.33SS..SBendtrans-100.2153.9-179.167.40000111E71 D72 H73T69-E71 PolarHBondContact O-N 3.4Å; T69-D72 PolarHBondContact N-OD2 3.12Å; T69-D72 WeakPolarHBondContact O-CA 3.31Å; T69-D72 WeakPolarHBondContact O-CB 3.24Å; T69-D72 PolarHBondContact O-N 3Å; T69-D72 PolarHBondContact OG1-N 3.47Å; T69-D72 PolarHBondContact OG1-OD2 3.21Å; T69-H73 PolarHBondContact O-CD2 3.43Å; T69-H73 VanDerWaalsContact O-CG 3.31Å; T69-H73 PolarHBondContact O-N 3.27Å; T69-H73 VanDerWaalsContact O-N 3.14Å; T69-H73 PolarHBondContact O-NE2 3.16Å
70E87.6Confident90.8Very high133 Ų13362.5 Ų62.562%0.62132%0.324SS*.Hα-helixtrans-53.7-34.6172.5-69.6-62.2159.100113D72 H73 L74E70-D72 VanDerWaalsContact C-N 3.34Å; E70-H73 PolarHBondContact O-N 3.37Å; E70-H73 IonicContact OE2-CD2 2.71Å; E70-L74 PolarHBondContact O-N 3.3Å
71E88.1Confident90.4Very high140 Ų14061.9 Ų61.965%0.65432%0.323SS*.Hα-helixtrans-65.5-37.3173.7-68.1-177.1-176.300111.7T69 H73 L74 H79T69-E71 PolarHBondContact O-N 3.4Å; E71-H73 VanDerWaalsContact C-N 3.28Å; E71-H73 PolarHBondContact O-N 3.29Å; E71-L74 PolarHBondContact O-N 3.47Å; E71-H79 PolarHBondContact O-CD2 3Å; E71-H79 PolarHBondContact O-NE2 3Å
72D90.9Very high90.2Very high51 Ų5163.3 Ų63.327%0.27333%0.33SS..Hα-helixtrans-68.3-30176.4-60.5-50.8000112.7I68 T69 E70 L74 W85I68-D72 PolarHBondContact N-OD2 3.25Å; T69-D72 PolarHBondContact N-OD2 3.12Å; T69-D72 WeakPolarHBondContact O-CA 3.31Å; T69-D72 WeakPolarHBondContact O-CB 3.24Å; T69-D72 PolarHBondContact O-N 3Å; T69-D72 PolarHBondContact OG1-N 3.47Å; T69-D72 PolarHBondContact OG1-OD2 3.21Å; E70-D72 VanDerWaalsContact C-N 3.34Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-W85 VanDerWaalsContact O-CZ2 3.29Å; D72-W85 WeakPolarHBondContact O-CZ2 3.28Å; D72-W85 PolarHBondContact O-NE1 3.02Å
73H92.4Very high90.1Very high18 Ų1864.9 Ų64.98%0.08334%0.343CS..Hα-helixtrans-75.8-19.1-178.1-57.7-42.1000113Y62 D63 P64 G67 T69 E70 E71 W85Y62-H73 CarbonylContact C-O 3.56Å; Y62-H73 VanDerWaalsContact CA-O 3.27Å; Y62-H73 WeakPolarHBondContact CA-O 3.34Å; Y62-H73 HydrophobicContact CD2-CB 4.03Å; Y62-H73 WeakPolarHBondContact CD2-O 3.44Å; Y62-H73 HydrophobicContact CE2-CB 3.54Å; D63-H73 PolarHBondContact N-O 3.22Å; D63-H73 WeakPolarHBondContact O-CA 3.31Å; D63-H73 PolarHBondContact O-ND1 3.4Å; P64-H73 WeakPolarHBondContact CA-ND1 3.33Å; P64-H73 PolarHBondContact O-CE1 2.99Å; P64-H73 PolarHBondContact O-ND1 3.01Å; G67-H73 VanDerWaalsContact C-CE1 3.45Å; G67-H73 PolarHBondContact O-CE1 3.04Å; G67-H73 VanDerWaalsContact O-CE1 3.27Å; T69-H73 PolarHBondContact O-CD2 3.43Å; T69-H73 VanDerWaalsContact O-CG 3.31Å; T69-H73 PolarHBondContact O-N 3.27Å; T69-H73 VanDerWaalsContact O-N 3.14Å; T69-H73 PolarHBondContact O-NE2 3.16Å; E70-H73 PolarHBondContact O-N 3.37Å; E70-H73 IonicContact OE2-CD2 2.71Å; E71-H73 VanDerWaalsContact C-N 3.28Å; E71-H73 PolarHBondContact O-N 3.29Å; H73-W85 VanDerWaalsContact O-CH2 3.3Å; H73-W85 WeakPolarHBondContact O-CH2 3.23Å; H73-W85 VanDerWaalsContact O-CZ2 3.3Å; H73-W85 WeakPolarHBondContact O-CZ2 3.39Å
74L93.2Very high90.1Very high58 Ų5869.9 Ų69.930%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-97.6135.8177.9-173.668.5000111.1E70 E71 D72 T76 H79E70-L74 PolarHBondContact O-N 3.3Å; E71-L74 PolarHBondContact O-N 3.47Å; D72-L74 VanDerWaalsContact C-N 3.31Å; L74-T76 HydrophobicContact CD2-CG2 4.31Å; L74-T76 HydrophobicContact CG-CG2 4.27Å; L74-H79 PolarHBondContact O-CD2 3.24Å; L74-H79 VanDerWaalsContact O-CD2 3.28Å
75F94.8Very high90.3Very high0 Ų066.7 Ų66.70%034%0.344CS..EExtended strand (participates in β ladder)trans-114.7134.5166.9-178-86.6000110.1F39 I56 K60 M61 W85 W86F39-F75 AromaticContact CD1-CE1 3.88Å; F39-F75 HydrophobicContact CD1-CE1 3.88Å; F39-F75 AromaticContact CD1-CZ 3.75Å; F39-F75 HydrophobicContact CD1-CZ 3.75Å; F39-F75 HydrophobicContact CE1-CE1 4.39Å; F39-F75 HydrophobicContact CE1-CZ 4.13Å; I56-F75 HydrophobicContact CD1-CE2 3.97Å; I56-F75 HydrophobicContact CD1-CZ 4.03Å; I56-F75 HydrophobicContact CG2-CE1 4.49Å; I56-F75 HydrophobicContact CG2-CZ 4.4Å; K60-F75 CarbonylContact C-O 3.57Å; K60-F75 VanDerWaalsContact CA-O 3.27Å; K60-F75 WeakPolarHBondContact CA-O 3.48Å; M61-F75 HydrophobicContact CB-CB 4.07Å; M61-F75 HydrophobicContact CE-CB 3.82Å; M61-F75 HydrophobicContact CE-CD1 3.29Å; M61-F75 HydrophobicContact CE-CD2 3.86Å; M61-F75 HydrophobicContact CE-CE1 3.68Å; M61-F75 HydrophobicContact CE-CE2 4.18Å; M61-F75 HydrophobicContact CE-CG 3.38Å; M61-F75 HydrophobicContact CE-CZ 4.09Å; M61-F75 PolarHBondContact N-O 2.91Å; M61-F75 PolarHBondContact O-N 3.26Å; F75-W85 HydrophobicContact CB-CD2 3.9Å; F75-W85 HydrophobicContact CB-CE3 4.14Å; F75-W85 HydrophobicContact CB-CG 4.46Å; F75-W85 HydrophobicContact CB-CH2 4.1Å; F75-W85 HydrophobicContact CB-CZ2 3.88Å; F75-W85 HydrophobicContact CB-CZ3 4.23Å; F75-W85 HydrophobicContact CD2-CB 3.79Å; F75-W85 AromaticContact CD2-CD1 3.69Å; F75-W85 AromaticContact CD2-CD2 3.81Å; F75-W85 HydrophobicContact CD2-CD2 3.81Å; F75-W85 HydrophobicContact CD2-CE3 4.41Å; F75-W85 AromaticContact CD2-CG 3.5Å; F75-W85 HydrophobicContact CD2-CG 3.5Å; F75-W85 HydrophobicContact CE2-CB 3.97Å; F75-W85 HydrophobicContact CE2-CG 4.18Å; F75-W85 HydrophobicContact CG-CD2 4.28Å; F75-W85 HydrophobicContact CG-CG 4.41Å; F75-W86 AromaticContact CE2-CZ2 3.86Å; F75-W86 HydrophobicContact CE2-CZ2 3.86Å; F75-W86 HydrophobicContact CZ-CH2 4.18Å; F75-W86 AromaticContact CZ-CZ2 3.91Å; F75-W86 HydrophobicContact CZ-CZ2 3.91Å
76T93.2Very high90.5Very high28 Ų2860.1 Ų60.117%0.17231%0.313CS..EExtended strand (participates in β ladder)trans-140.7165.816569.50000110.1N59 K60 L74 T78 H79N59-T76 WeakPolarHBondContact O-CA 3.42Å; K60-T76 HydrophobicContact CG-CG2 4.3Å; L74-T76 HydrophobicContact CD2-CG2 4.31Å; L74-T76 HydrophobicContact CG-CG2 4.27Å; T76-T78 PolarHBondContact O-N 2.85Å; T76-T78 VanDerWaalsContact O-N 3.09Å; T76-T78 PolarHBondContact OG1-N 2.78Å; T76-T78 PolarHBondContact OG1-OG1 2.83Å; T76-T78 VanDerWaalsContact OG1-OG1 3.14Å; T76-H79 PolarHBondContact N-O 2.76Å; T76-H79 CarbonylContact O-C 3.59Å; T76-H79 PolarHBondContact O-N 3.28Å; T76-H79 VanDerWaalsContact OG1-CB 3.29Å; T76-H79 WeakPolarHBondContact OG1-CB 3.33Å; T76-H79 PolarHBondContact OG1-N 3.45Å
77M86.9Confident90.8Very high87 Ų8763.4 Ų63.443%0.42933%0.329SS..THydrogen-bonded Turntrans-55.2-29.2173.2-65.717649.600113.6F39 N59F39-M77 HydrophobicContact CD1-CG 4.21Å; F39-M77 HydrophobicContact CD2-CE 4.29Å; F39-M77 HydrophobicContact CD2-CG 3.86Å; F39-M77 HydrophobicContact CD2-SD 4.25Å; F39-M77 HydrophobicContact CE1-CB 4.12Å; F39-M77 HydrophobicContact CE1-CG 3.94Å; F39-M77 HydrophobicContact CE2-CB 4.09Å; F39-M77 HydrophobicContact CE2-CE 3.68Å; F39-M77 HydrophobicContact CE2-CG 3.59Å; F39-M77 HydrophobicContact CE2-SD 4.1Å; F39-M77 HydrophobicContact CG-CG 4.18Å; F39-M77 HydrophobicContact CZ-CB 3.7Å; F39-M77 HydrophobicContact CZ-CE 4.31Å; F39-M77 HydrophobicContact CZ-CG 3.62Å; N59-M77 HydrophobicContact CB-CG 4.06Å; N59-M77 HydrophobicContact CB-SD 4Å; N59-M77 PolarHBondContact O-N 3.18Å
78T86.5Confident91.2Very high127 Ų12763.5 Ų63.578%0.77933%0.33SS*.THydrogen-bonded Turntrans-94.2-14.3177.5490000114.4T76T76-T78 PolarHBondContact O-N 2.85Å; T76-T78 VanDerWaalsContact O-N 3.09Å; T76-T78 PolarHBondContact OG1-N 2.78Å; T76-T78 PolarHBondContact OG1-OG1 2.83Å; T76-T78 VanDerWaalsContact OG1-OG1 3.14Å
79H87.3Confident91.6Very high59 Ų5957 Ų5727%0.27330%0.296SS..BIsolated β-bridgetrans-133.886.8-177.4-173.784.5000108.7E71 L74 T76 E81E71-H79 PolarHBondContact O-CD2 3Å; E71-H79 PolarHBondContact O-NE2 3Å; L74-H79 PolarHBondContact O-CD2 3.24Å; L74-H79 VanDerWaalsContact O-CD2 3.28Å; T76-H79 PolarHBondContact N-O 2.76Å; T76-H79 CarbonylContact O-C 3.59Å; T76-H79 PolarHBondContact O-N 3.28Å; T76-H79 VanDerWaalsContact OG1-CB 3.29Å; T76-H79 WeakPolarHBondContact OG1-CB 3.33Å; T76-H79 PolarHBondContact OG1-N 3.45Å; H79-E81 VanDerWaalsContact CA-OE2 3.32Å; H79-E81 WeakPolarHBondContact CA-OE2 3.35Å; H79-E81 IonicContact CG-OE2 3.67Å; H79-E81 IonicContact ND1-OE2 2.83Å
80S89.8Confident92Very high4 Ų453.6 Ų53.63%0.02828%0.276CS..  trans-141.922.5-171.756.70000112.3N82 W86S80-N82 PolarHBondContact O-N 3.29Å; S80-W86 PolarHBondContact O-NE1 3.46Å
81E87.6Confident92.5Very high87 Ų8747.3 Ų47.341%0.40725%0.246SC..  trans-61.1-40.5-177.2-74.258.5-135.700112.9H79 T83 R112H79-E81 VanDerWaalsContact CA-OE2 3.32Å; H79-E81 WeakPolarHBondContact CA-OE2 3.35Å; H79-E81 IonicContact CG-OE2 3.67Å; H79-E81 IonicContact ND1-OE2 2.83Å; E81-T83 PolarHBondContact O-N 2.9Å; E81-T83 VanDerWaalsContact O-N 3.11Å; E81-R112 VanDerWaalsContact CD-NH1 3.34Å; E81-R112 VanDerWaalsContact CG-NH1 3.35Å; E81-R112 IonicContact OE1-CZ 3.31Å; E81-R112 IonicContact OE1-NH1 3.58Å; E81-R112 PolarHBondContact OE1-NH1 3.2Å; E81-R112 IonicContact OE1-NH2 2.8Å
82N90.5Very high93Very high29 Ų2940.6 Ų40.616%0.15522%0.215CC..  trans-66.7113.5-175.2-177.1-8.4000109.9V66 S80 K84 W85V66-N82 VanDerWaalsContact CG1-ND2 3.27Å; V66-N82 WeakPolarHBondContact CG1-ND2 3.35Å; V66-N82 PolarHBondContact O-ND2 3.26Å; V66-N82 VanDerWaalsContact O-ND2 3.1Å; S80-N82 PolarHBondContact O-N 3.29Å; N82-K84 PolarHBondContact O-N 3.44Å; N82-K84 WeakPolarHBondContact OD1-CB 3.44Å; N82-K84 PolarHBondContact OD1-N 3.1Å; N82-K84 VanDerWaalsContact OD1-N 3.08Å; N82-W85 WeakPolarHBondContact O-CB 3.36Å; N82-W85 PolarHBondContact O-N 3.4Å
83T92.4Very high93.3Very high63 Ų6338.3 Ų38.339%0.38720%0.203SC..G310 helixtrans-68.3-16-174.553.90000113.1E81 W85 W86 R112 E113E81-T83 PolarHBondContact O-N 2.9Å; E81-T83 VanDerWaalsContact O-N 3.11Å; T83-W85 PolarHBondContact O-N 3.36Å; T83-W86 PolarHBondContact O-N 3.3Å; T83-R112 HydrophobicContact CG2-CB 4.4Å; T83-E113 HydrophobicContact CG2-CB 4.34Å; T83-E113 WeakPolarHBondContact CG2-O 3.21Å
84K93Very high93.6Very high117 Ų11737.5 Ų37.551%0.50920%0.199SC..G310 helixtrans-67.1-18.7174.6-70.4172.4169.9-172.90113.5V66 N82 W86 R282V66-K84 HydrophobicContact CG1-CB 3.93Å; V66-K84 WeakPolarHBondContact O-CD 3.4Å; V66-K84 PolarHBondContact O-NZ 2.93Å; N82-K84 PolarHBondContact O-N 3.44Å; N82-K84 WeakPolarHBondContact OD1-CB 3.44Å; N82-K84 PolarHBondContact OD1-N 3.1Å; N82-K84 VanDerWaalsContact OD1-N 3.08Å; K84-W86 VanDerWaalsContact C-N 3.27Å; K84-R282 PolarHBondContact O-NH2 3.07Å
85W94.7Very high93.8Very high2 Ų234.7 Ų34.71%0.00818%0.184CC..G310 helixtrans-64.9-34.6169.4-68.1117.8000111.9I56 M61 D63 V66 D72 H73 F75 N82 T83 L87 R282I56-W85 HydrophobicContact CD1-CB 4.19Å; I56-W85 WeakPolarHBondContact CD1-O 3.23Å; M61-W85 HydrophobicContact CB-CZ3 4.31Å; M61-W85 HydrophobicContact CE-CE3 4.12Å; M61-W85 HydrophobicContact CE-CZ3 4.48Å; D63-W85 HydrophobicContact CB-CH2 3.36Å; D63-W85 HydrophobicContact CB-CZ2 4.45Å; D63-W85 HydrophobicContact CB-CZ3 3.49Å; D63-W85 VanDerWaalsContact CB-CZ3 3.49Å; V66-W85 HydrophobicContact CB-CD2 4.48Å; V66-W85 HydrophobicContact CB-CH2 4.2Å; V66-W85 HydrophobicContact CB-CZ2 4.05Å; V66-W85 HydrophobicContact CB-CZ3 4.46Å; V66-W85 HydrophobicContact CG1-CD2 3.74Å; V66-W85 VanDerWaalsContact CG1-CE2 3.45Å; V66-W85 HydrophobicContact CG1-CE3 4.29Å; V66-W85 HydrophobicContact CG1-CG 4.14Å; V66-W85 HydrophobicContact CG1-CH2 4.33Å; V66-W85 HydrophobicContact CG1-CZ2 3.77Å; V66-W85 HydrophobicContact CG2-CD2 4.31Å; V66-W85 HydrophobicContact CG2-CE3 4.03Å; V66-W85 HydrophobicContact CG2-CH2 4.15Å; V66-W85 HydrophobicContact CG2-CZ2 4.41Å; V66-W85 HydrophobicContact CG2-CZ3 3.94Å; D72-W85 VanDerWaalsContact O-CZ2 3.29Å; D72-W85 WeakPolarHBondContact O-CZ2 3.28Å; D72-W85 PolarHBondContact O-NE1 3.02Å; H73-W85 VanDerWaalsContact O-CH2 3.3Å; H73-W85 WeakPolarHBondContact O-CH2 3.23Å; H73-W85 VanDerWaalsContact O-CZ2 3.3Å; H73-W85 WeakPolarHBondContact O-CZ2 3.39Å; F75-W85 HydrophobicContact CB-CD2 3.9Å; F75-W85 HydrophobicContact CB-CE3 4.14Å; F75-W85 HydrophobicContact CB-CG 4.46Å; F75-W85 HydrophobicContact CB-CH2 4.1Å; F75-W85 HydrophobicContact CB-CZ2 3.88Å; F75-W85 HydrophobicContact CB-CZ3 4.23Å; F75-W85 HydrophobicContact CD2-CB 3.79Å; F75-W85 AromaticContact CD2-CD1 3.69Å; F75-W85 AromaticContact CD2-CD2 3.81Å; F75-W85 HydrophobicContact CD2-CD2 3.81Å; F75-W85 HydrophobicContact CD2-CE3 4.41Å; F75-W85 AromaticContact CD2-CG 3.5Å; F75-W85 HydrophobicContact CD2-CG 3.5Å; F75-W85 HydrophobicContact CE2-CB 3.97Å; F75-W85 HydrophobicContact CE2-CG 4.18Å; F75-W85 HydrophobicContact CG-CD2 4.28Å; F75-W85 HydrophobicContact CG-CG 4.41Å; N82-W85 WeakPolarHBondContact O-CB 3.36Å; N82-W85 PolarHBondContact O-N 3.4Å; T83-W85 PolarHBondContact O-N 3.36Å; W85-L87 PolarHBondContact O-N 2.81Å; W85-R282 HydrophobicContact CZ3-CG 4.28Å; W85-R282 PolarHBondContact O-NH1 2.88Å
86W95.1Very high93.9Very high8 Ų836.8 Ų36.83%0.0319%0.194CC..  trans-95.290.7-169-55.889.5000110.8F39 Y43 I56 F75 S80 T83 K84 P108 I114F39-W86 HydrophobicContact CD1-CH2 4.07Å; F39-W86 HydrophobicContact CE1-CH2 4.15Å; Y43-W86 HydrophobicContact CD1-CE3 4.15Å; Y43-W86 HydrophobicContact CD1-CZ3 4.47Å; Y43-W86 AromaticContact CD2-CE3 3.94Å; Y43-W86 HydrophobicContact CD2-CE3 3.94Å; Y43-W86 AromaticContact CD2-CZ3 3.96Å; Y43-W86 HydrophobicContact CD2-CZ3 3.96Å; Y43-W86 AromaticContact CE1-CE3 4Å; Y43-W86 HydrophobicContact CE1-CE3 4Å; Y43-W86 AromaticContact CE2-CE3 3.8Å; Y43-W86 HydrophobicContact CE2-CE3 3.8Å; Y43-W86 HydrophobicContact CE2-CZ3 4.26Å; Y43-W86 HydrophobicContact CG-CE3 4.16Å; Y43-W86 HydrophobicContact CG-CZ3 4.11Å; Y43-W86 AromaticContact CZ-CE3 3.86Å; I56-W86 HydrophobicContact CD1-CD2 4.12Å; I56-W86 HydrophobicContact CD1-CE3 3.97Å; I56-W86 HydrophobicContact CD1-CZ3 4.24Å; I56-W86 HydrophobicContact CG1-CE3 3.94Å; I56-W86 HydrophobicContact CG1-CZ3 4.07Å; F75-W86 AromaticContact CE2-CZ2 3.86Å; F75-W86 HydrophobicContact CE2-CZ2 3.86Å; F75-W86 HydrophobicContact CZ-CH2 4.18Å; F75-W86 AromaticContact CZ-CZ2 3.91Å; F75-W86 HydrophobicContact CZ-CZ2 3.91Å; S80-W86 PolarHBondContact O-NE1 3.46Å; T83-W86 PolarHBondContact O-N 3.3Å; K84-W86 VanDerWaalsContact C-N 3.27Å; W86-P108 HydrophobicContact CH2-CB 4.25Å; W86-I114 HydrophobicContact CB-CD1 4.15Å; W86-I114 HydrophobicContact CB-CG1 3.8Å; W86-I114 HydrophobicContact CG-CG1 4.35Å
87L95.8Very high94.1Very high76 Ų7637.6 Ų37.640%0.39820%0.203SC..  trans-86.4176.4174.7-49.5-179.8000110.6Y43 H54 W85Y43-L87 WeakPolarHBondContact CE1-O 3.19Å; Y43-L87 VanDerWaalsContact CZ-O 3.32Å; Y43-L87 PolarHBondContact OH-O 3.03Å; H54-L87 WeakPolarHBondContact O-CB 3.4Å; H54-L87 PolarHBondContact O-N 3.31Å; H54-L87 VanDerWaalsContact O-N 3.09Å; W85-L87 PolarHBondContact O-N 2.81Å
88G96.2Very high94.6Very high17 Ų1735.6 Ų35.618%0.17519%0.194CC..SBendtrans70.2175.2-175.400000113.6
89E97.6Very high95.1Very high22 Ų2232.8 Ų32.810%0.10319%0.191CC..  trans-118.9117.8173.9-177-179112.100109.6N93 T94 Y358 A360E89-N93 HydrophobicContact CG-CB 3.73Å; E89-T94 WeakPolarHBondContact OE1-CA 3.25Å; E89-T94 WeakPolarHBondContact OE1-CB 3.04Å; E89-T94 PolarHBondContact OE1-N 3.36Å; E89-T94 PolarHBondContact OE1-OG1 3.45Å; E89-Y358 WeakPolarHBondContact OE1-CE1 3.49Å; E89-A360 HydrophobicContact CB-CB 3.7Å; E89-A360 HydrophobicContact CG-CB 4.35Å
90P98.2Very high95.6Very high0 Ų032.8 Ų32.80%019%0.193CC..  trans-74.3154.8178.331.2-37.6000111.8Y43 V46 T47 W92 N93 T94 I114Y43-P90 HydrophobicContact CE2-CB 4.27Å; V46-P90 HydrophobicContact CB-CB 4.4Å; V46-P90 HydrophobicContact CG2-CB 4.07Å; V46-P90 CarbonylContact O-C 3.56Å; V46-P90 VanDerWaalsContact O-CA 3.24Å; V46-P90 WeakPolarHBondContact O-CA 3.38Å; T47-P90 HydrophobicContact CG2-CB 4.34Å; P90-W92 HydrophobicContact CB-CD2 3.72Å; P90-W92 HydrophobicContact CB-CE3 4.11Å; P90-W92 HydrophobicContact CB-CG 4.35Å; P90-W92 HydrophobicContact CB-CH2 3.84Å; P90-W92 HydrophobicContact CB-CZ2 3.4Å; P90-W92 HydrophobicContact CB-CZ3 4.18Å; P90-W92 HydrophobicContact CG-CD2 3.98Å; P90-W92 HydrophobicContact CG-CG 4.31Å; P90-W92 HydrophobicContact CG-CH2 4.42Å; P90-W92 HydrophobicContact CG-CZ2 3.5Å; P90-W92 VanDerWaalsContact CG-CZ2 3.5Å; P90-W92 PolarHBondContact O-N 3.4Å; P90-W92 VanDerWaalsContact O-N 3.09Å; P90-N93 HydrophobicContact CG-CB 4.28Å; P90-N93 WeakPolarHBondContact O-CA 3.38Å; P90-N93 WeakPolarHBondContact O-CB 3.25Å; P90-N93 PolarHBondContact O-N 3.03Å; P90-T94 PolarHBondContact O-N 3.36Å; P90-T94 VanDerWaalsContact O-N 3.14Å; P90-I114 HydrophobicContact CG-CD1 3.89Å; P90-I114 HydrophobicContact CG-CG2 4.43Å
91I98.3Very high96Very high0 Ų036.6 Ų36.60%021%0.209CC..Hα-helixtrans-56.2-33.7-173.9-169.259.2000113.1V46 N93 T94 V95 Y347 I350 L356V46-I91 HydrophobicContact CB-CG2 4.14Å; V46-I91 HydrophobicContact CG1-CG2 4.33Å; V46-I91 PolarHBondContact O-N 3.26Å; I91-N93 PolarHBondContact O-N 2.81Å; I91-T94 PolarHBondContact O-N 2.8Å; I91-V95 HydrophobicContact CD1-CG2 4.31Å; I91-V95 HydrophobicContact CG1-CG2 4.23Å; I91-V95 WeakPolarHBondContact O-CB 3.49Å; I91-V95 VanDerWaalsContact O-CG2 3.25Å; I91-V95 WeakPolarHBondContact O-CG2 3.4Å; I91-V95 PolarHBondContact O-N 2.97Å; I91-Y347 HydrophobicContact CB-CD2 4.11Å; I91-Y347 HydrophobicContact CB-CE2 3.99Å; I91-Y347 HydrophobicContact CD1-CD2 4.2Å; I91-Y347 HydrophobicContact CD1-CE2 3.85Å; I91-Y347 HydrophobicContact CG1-CE2 4.48Å; I91-I350 HydrophobicContact CD1-CB 4.5Å; I91-I350 HydrophobicContact CD1-CG2 4.17Å; I91-I350 HydrophobicContact CG1-CB 4.25Å; I91-I350 HydrophobicContact CG1-CG2 3.71Å; I91-L356 HydrophobicContact CD1-CD1 4.01Å
92W97.9Very high96.6Very high0 Ų032.5 Ų32.50%019%0.189CC..Hα-helixtrans-66.5-25.3176.656.575.7000113.1V46 P90 Q96 S102 V104 W107 I114 P119V46-W92 HydrophobicContact CB-CE3 4.34Å; V46-W92 HydrophobicContact CB-CH2 4.32Å; V46-W92 HydrophobicContact CB-CZ3 3.8Å; V46-W92 HydrophobicContact CG1-CE3 4.4Å; V46-W92 HydrophobicContact CG1-CZ3 3.79Å; V46-W92 HydrophobicContact CG2-CH2 3.71Å; V46-W92 HydrophobicContact CG2-CZ3 3.69Å; P90-W92 HydrophobicContact CB-CD2 3.72Å; P90-W92 HydrophobicContact CB-CE3 4.11Å; P90-W92 HydrophobicContact CB-CG 4.35Å; P90-W92 HydrophobicContact CB-CH2 3.84Å; P90-W92 HydrophobicContact CB-CZ2 3.4Å; P90-W92 HydrophobicContact CB-CZ3 4.18Å; P90-W92 HydrophobicContact CG-CD2 3.98Å; P90-W92 HydrophobicContact CG-CG 4.31Å; P90-W92 HydrophobicContact CG-CH2 4.42Å; P90-W92 HydrophobicContact CG-CZ2 3.5Å; P90-W92 VanDerWaalsContact CG-CZ2 3.5Å; P90-W92 PolarHBondContact O-N 3.4Å; P90-W92 VanDerWaalsContact O-N 3.09Å; W92-Q96 VanDerWaalsContact O-CG 3.32Å; W92-Q96 WeakPolarHBondContact O-CG 3.41Å; W92-Q96 PolarHBondContact O-NE2 3.02Å; W92-S102 WeakPolarHBondContact O-CB 3.49Å; W92-S102 PolarHBondContact O-OG 3.25Å; W92-V104 HydrophobicContact CB-CG2 3.98Å; W92-V104 HydrophobicContact CD2-CG2 3.84Å; W92-V104 HydrophobicContact CE3-CG2 3.66Å; W92-V104 HydrophobicContact CG-CG2 4.01Å; W92-V104 HydrophobicContact CZ3-CG2 4.36Å; W92-W107 HydrophobicContact CH2-CB 4.48Å; W92-W107 AromaticContact CH2-CD1 3.78Å; W92-W107 HydrophobicContact CH2-CG 4.35Å; W92-W107 HydrophobicContact CZ3-CB 4.16Å; W92-W107 AromaticContact CZ3-CD1 3.68Å; W92-W107 AromaticContact CZ3-CG 3.96Å; W92-W107 HydrophobicContact CZ3-CG 3.96Å; W92-I114 HydrophobicContact CZ2-CD1 4.17Å; W92-P119 HydrophobicContact CB-CB 4.32Å; W92-P119 HydrophobicContact CB-CG 4.17Å; W92-P119 HydrophobicContact CD2-CG 4.21Å; W92-P119 HydrophobicContact CG-CB 4.39Å; W92-P119 HydrophobicContact CG-CG 3.74Å
93N97.9Very high96.9Very high3 Ų331.1 Ų31.12%0.01618%0.182CC..Hα-helixtrans-82.5-40.4171.6-76.6-5000110.8E89 P90 I91 V95 Q96 A97 I114 R117E89-N93 HydrophobicContact CG-CB 3.73Å; P90-N93 HydrophobicContact CG-CB 4.28Å; P90-N93 WeakPolarHBondContact O-CA 3.38Å; P90-N93 WeakPolarHBondContact O-CB 3.25Å; P90-N93 PolarHBondContact O-N 3.03Å; I91-N93 PolarHBondContact O-N 2.81Å; N93-V95 PolarHBondContact O-N 3.03Å; N93-Q96 PolarHBondContact O-N 3.45Å; N93-A97 PolarHBondContact O-N 3.04Å; N93-I114 PolarHBondContact ND2-O 3.29Å; N93-R117 PolarHBondContact ND2-O 3.26Å
94T98.2Very high97.2Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-61.7-42.5175.9-52.50000112.2E89 P90 I91 Q96 A97 N98 Y347 L356 Y358E89-T94 WeakPolarHBondContact OE1-CA 3.25Å; E89-T94 WeakPolarHBondContact OE1-CB 3.04Å; E89-T94 PolarHBondContact OE1-N 3.36Å; E89-T94 PolarHBondContact OE1-OG1 3.45Å; P90-T94 PolarHBondContact O-N 3.36Å; P90-T94 VanDerWaalsContact O-N 3.14Å; I91-T94 PolarHBondContact O-N 2.8Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 3.31Å; T94-A97 WeakPolarHBondContact O-CB 3.02Å; T94-A97 PolarHBondContact O-N 3.49Å; T94-N98 PolarHBondContact O-N 2.85Å; T94-N98 VanDerWaalsContact O-N 3.12Å; T94-N98 PolarHBondContact O-ND2 3.14Å; T94-Y347 WeakPolarHBondContact CB-OH 3.42Å; T94-Y347 VanDerWaalsContact CG2-OH 3.3Å; T94-Y347 WeakPolarHBondContact CG2-OH 3.33Å; T94-Y347 PolarHBondContact OG1-OH 3.16Å; T94-L356 HydrophobicContact CG2-CD1 4.1Å; T94-Y358 HydrophobicContact CG2-CD1 3.97Å; T94-Y358 HydrophobicContact CG2-CE1 4.17Å; T94-Y358 WeakPolarHBondContact CG2-O 3.2Å
95V98Very high97.4Very high0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-59.2-43.8174.3166.90000110.6I91 N93 A97 N98 L100 V152 L354 L356I91-V95 HydrophobicContact CD1-CG2 4.31Å; I91-V95 HydrophobicContact CG1-CG2 4.23Å; I91-V95 WeakPolarHBondContact O-CB 3.49Å; I91-V95 VanDerWaalsContact O-CG2 3.25Å; I91-V95 WeakPolarHBondContact O-CG2 3.4Å; I91-V95 PolarHBondContact O-N 2.97Å; N93-V95 PolarHBondContact O-N 3.03Å; V95-A97 PolarHBondContact O-N 3.3Å; V95-N98 WeakPolarHBondContact O-CB 3.41Å; V95-N98 PolarHBondContact O-N 2.97Å; V95-N98 VanDerWaalsContact O-N 3.13Å; V95-L100 HydrophobicContact CG1-CB 3.5Å; V95-L100 VanDerWaalsContact CG1-CB 3.5Å; V95-L100 HydrophobicContact CG1-CD1 4.2Å; V95-L100 HydrophobicContact CG1-CG 4.48Å; V95-L100 WeakPolarHBondContact O-CB 3.31Å; V95-L100 PolarHBondContact O-N 3.5Å; V95-V152 HydrophobicContact CB-CG1 4.16Å; V95-V152 HydrophobicContact CG1-CG1 4.09Å; V95-V152 HydrophobicContact CG2-CB 4.38Å; V95-V152 HydrophobicContact CG2-CG1 3.88Å; V95-L354 HydrophobicContact CG2-CD1 3.6Å; V95-L356 HydrophobicContact CG2-CD1 3.94Å; V95-L356 HydrophobicContact CG2-CD2 4.4Å
96Q97.6Very high97.5Very high44 Ų4424 Ų2421%0.20615%0.146CC..Hα-helixtrans-68.5-33.3176.5-71179.1103.900113.2W92 N93 T94 N98 G99 L100 S102 R118 T120W92-Q96 VanDerWaalsContact O-CG 3.32Å; W92-Q96 WeakPolarHBondContact O-CG 3.41Å; W92-Q96 PolarHBondContact O-NE2 3.02Å; N93-Q96 PolarHBondContact O-N 3.45Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 3.31Å; Q96-N98 PolarHBondContact O-N 3.14Å; Q96-G99 PolarHBondContact O-N 2.72Å; Q96-L100 WeakPolarHBondContact CA-O 3.46Å; Q96-S102 WeakPolarHBondContact CG-OG 3.49Å; Q96-S102 PolarHBondContact NE2-OG 3.41Å; Q96-R118 PolarHBondContact NE2-O 2.89Å; Q96-T120 PolarHBondContact OE1-OG1 3.4Å
97A97Very high97.5Very high45 Ų4524.5 Ų24.537%0.37215%0.147SC..Hα-helixtrans-64.4-24.9172.200000112.6N93 T94 V95 G99 Y358N93-A97 PolarHBondContact O-N 3.04Å; T94-A97 WeakPolarHBondContact O-CB 3.02Å; T94-A97 PolarHBondContact O-N 3.49Å; V95-A97 PolarHBondContact O-N 3.3Å; A97-G99 VanDerWaalsContact C-N 3.28Å; A97-Y358 HydrophobicContact CB-CD1 3.89Å; A97-Y358 HydrophobicContact CB-CE1 4.12Å
98N97.6Very high97.4Very high44 Ų4421.4 Ų21.424%0.23513%0.132CC..THydrogen-bonded Turntrans-85.99.3171.4-74.7-92.4000113.4T94 V95 Q96 L100 L356 K357 Y358T94-N98 PolarHBondContact O-N 2.85Å; T94-N98 VanDerWaalsContact O-N 3.12Å; T94-N98 PolarHBondContact O-ND2 3.14Å; V95-N98 WeakPolarHBondContact O-CB 3.41Å; V95-N98 PolarHBondContact O-N 2.97Å; V95-N98 VanDerWaalsContact O-N 3.13Å; Q96-N98 PolarHBondContact O-N 3.14Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-L356 HydrophobicContact CB-CD2 3.99Å; N98-K357 PolarHBondContact OD1-N 2.89Å; N98-Y358 PolarHBondContact ND2-O 3.5Å; N98-Y358 PolarHBondContact OD1-N 3.49Å
99G96.9Very high97.3Very high69 Ų6920.7 Ų20.771%0.71113%0.125SC*.THydrogen-bonded Turntrans81.59.4177.400000115Q96 A97Q96-G99 PolarHBondContact O-N 2.72Å; A97-G99 VanDerWaalsContact C-N 3.28Å
100L97.8Very high97.2Very high59 Ų5919.7 Ų19.731%0.30912%0.12SC..  trans-96.3173.5179-59.9175.2000111.4V95 Q96 N98 L356V95-L100 HydrophobicContact CG1-CB 3.5Å; V95-L100 VanDerWaalsContact CG1-CB 3.5Å; V95-L100 HydrophobicContact CG1-CD1 4.2Å; V95-L100 HydrophobicContact CG1-CG 4.48Å; V95-L100 WeakPolarHBondContact O-CB 3.31Å; V95-L100 PolarHBondContact O-N 3.5Å; Q96-L100 WeakPolarHBondContact CA-O 3.46Å; N98-L100 VanDerWaalsContact C-N 3.35Å; L100-L356 HydrophobicContact CD1-CD2 3.89Å
101K98.5Very high96.9Very high84 Ų8420.7 Ų20.737%0.36513%0.125SC..  trans-103.6150.2175.6-58-52-169.4176.30110.7T120 P150 S151K101-T120 HydrophobicContact CB-CG2 4.38Å; K101-T120 HydrophobicContact CD-CG2 3.85Å; K101-T120 HydrophobicContact CG-CG2 4.42Å; K101-P150 HydrophobicContact CB-CB 4.49Å; K101-P150 CarbonylContact O-C 3.48Å; K101-P150 WeakPolarHBondContact O-CA 3.34Å; K101-S151 PolarHBondContact O-N 2.77Å
102S98.5Very high96.6Very high0 Ų022.2 Ų22.20%013%0.131CC..EExtended strand (participates in β ladder)trans-132.2145.1177.758.20000111.2W92 Q96 P119 T120 Y121W92-S102 WeakPolarHBondContact O-CB 3.49Å; W92-S102 PolarHBondContact O-OG 3.25Å; Q96-S102 WeakPolarHBondContact CG-OG 3.49Å; Q96-S102 PolarHBondContact NE2-OG 3.41Å; S102-P119 WeakPolarHBondContact OG-CA 3.22Å; S102-T120 PolarHBondContact N-OG1 2.78Å; S102-T120 WeakPolarHBondContact O-CA 3.43Å; S102-T120 WeakPolarHBondContact O-CB 3.49Å; S102-T120 PolarHBondContact O-N 3.44Å; S102-Y121 PolarHBondContact O-N 2.63Å
103A98.7Very high96.4Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-126.4142.9173.800000110.8Y121 W141 P150 V152 I153 N154A103-Y121 CarbonylContact C-O 3.54Å; A103-Y121 VanDerWaalsContact CA-O 3.25Å; A103-Y121 WeakPolarHBondContact CA-O 3.32Å; A103-Y121 HydrophobicContact CB-CD2 4.14Å; A103-W141 HydrophobicContact CB-CD2 3.77Å; A103-W141 HydrophobicContact CB-CE3 3.62Å; A103-W141 HydrophobicContact CB-CG 4.35Å; A103-W141 HydrophobicContact CB-CH2 4.15Å; A103-W141 HydrophobicContact CB-CZ2 4.28Å; A103-W141 HydrophobicContact CB-CZ3 3.82Å; A103-P150 HydrophobicContact CB-CB 3.76Å; A103-P150 HydrophobicContact CB-CG 3.74Å; A103-V152 PolarHBondContact N-O 3.34Å; A103-I153 HydrophobicContact CB-CG1 4.24Å; A103-I153 HydrophobicContact CB-CG2 4.31Å; A103-I153 VanDerWaalsContact O-CA 3.25Å; A103-I153 WeakPolarHBondContact O-CA 3.46Å; A103-N154 PolarHBondContact O-N 3.23Å
104V98.3Very high96.1Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-137.7131.8177.5-174.80000110.4W92 W107 S110 P119 Y121 W122 N154W92-V104 HydrophobicContact CB-CG2 3.98Å; W92-V104 HydrophobicContact CD2-CG2 3.84Å; W92-V104 HydrophobicContact CE3-CG2 3.66Å; W92-V104 HydrophobicContact CG-CG2 4.01Å; W92-V104 HydrophobicContact CZ3-CG2 4.36Å; V104-W107 HydrophobicContact CG1-CB 3.29Å; V104-W107 HydrophobicContact CG1-CG 4.49Å; V104-S110 VanDerWaalsContact CG1-OG 3.3Å; V104-S110 WeakPolarHBondContact CG1-OG 3.37Å; V104-P119 HydrophobicContact CB-CB 4.28Å; V104-P119 HydrophobicContact CB-CG 3.84Å; V104-P119 HydrophobicContact CG2-CB 3.78Å; V104-P119 HydrophobicContact CG2-CG 3.38Å; V104-Y121 PolarHBondContact N-O 3.38Å; V104-W122 WeakPolarHBondContact O-CA 3.42Å; V104-N154 CarbonylContact C-O 3.53Å; V104-N154 WeakPolarHBondContact CA-O 3.2Å; V104-N154 HydrophobicContact CG1-CB 4.06Å; V104-N154 HydrophobicContact CG2-CB 4.17Å
105Y97.8Very high95.6Very high21 Ų2133.1 Ų33.18%0.08218%0.18CC..EExtended strand (participates in β ladder)trans-112.9101.8173.5-155.5-54000108.6W107 L123 R134 K137 W141 N154 Y156Y105-W107 PolarHBondContact O-N 3.18Å; Y105-W107 VanDerWaalsContact O-N 3.14Å; Y105-L123 HydrophobicContact CD1-CD1 4.17Å; Y105-L123 HydrophobicContact CD2-CD1 3.5Å; Y105-L123 HydrophobicContact CE1-CD1 3.96Å; Y105-L123 HydrophobicContact CE2-CD1 3.28Å; Y105-L123 HydrophobicContact CG-CD1 3.93Å; Y105-R134 HydrophobicContact CD1-CG 3.54Å; Y105-R134 HydrophobicContact CD2-CG 4.03Å; Y105-R134 HydrophobicContact CE1-CB 4.44Å; Y105-R134 HydrophobicContact CE1-CG 3.12Å; Y105-R134 HydrophobicContact CE2-CB 4.24Å; Y105-R134 HydrophobicContact CE2-CG 3.65Å; Y105-R134 HydrophobicContact CG-CG 4Å; Y105-K137 HydrophobicContact CD2-CB 4.13Å; Y105-K137 HydrophobicContact CD2-CG 4.07Å; Y105-K137 HydrophobicContact CE2-CB 3.78Å; Y105-K137 HydrophobicContact CE2-CG 3.91Å; Y105-W141 HydrophobicContact CD2-CH2 4.04Å; Y105-W141 HydrophobicContact CD2-CZ3 4.25Å; Y105-N154 PolarHBondContact N-O 3.17Å; Y105-Y156 PolarHBondContact O-N 3.05Å
106F95.3Very high95.2Very high12 Ų1235.9 Ų35.95%0.05321%0.208CC..SBendtrans62.913171.3-65.3-3.6000117.2L123 K124 Y125 N126 A129 Y156F106-L123 HydrophobicContact CD1-CB 4.14Å; F106-L123 HydrophobicContact CE1-CB 3.86Å; F106-K124 WeakPolarHBondContact CE1-O 3.5Å; F106-Y125 HydrophobicContact CB-CD2 3.93Å; F106-Y125 HydrophobicContact CB-CE2 4.49Å; F106-Y125 HydrophobicContact CD1-CD2 4.34Å; F106-Y125 AromaticContact CD2-CD2 3.74Å; F106-Y125 HydrophobicContact CD2-CD2 3.74Å; F106-Y125 AromaticContact CD2-CE2 4Å; F106-Y125 HydrophobicContact CD2-CE2 4Å; F106-Y125 HydrophobicContact CE2-CD2 4.3Å; F106-Y125 AromaticContact CG-CD2 3.77Å; F106-Y125 HydrophobicContact CG-CD2 3.77Å; F106-Y125 HydrophobicContact CG-CE2 4.41Å; F106-N126 WeakPolarHBondContact CE2-O 3.44Å; F106-N126 HydrophobicContact CZ-CB 3.89Å; F106-N126 WeakPolarHBondContact CZ-O 3.26Å; F106-A129 HydrophobicContact CE2-CB 3.7Å; F106-A129 HydrophobicContact CZ-CB 3.75Å; F106-Y156 HydrophobicContact CB-CD1 4.07Å
107W95.8Very high95.1Very high19 Ų1940 Ų407%0.07222%0.221CC..  trans-64.7134.5173.7-154.7-80.3000110.4H42 I45 V46 W92 V104 Y105 G109 S110 N154 L207H42-W107 AromaticContact CD2-CE2 3.84Å; H42-W107 AromaticContact CD2-CZ2 3.95Å; H42-W107 PolarHBondContact O-NE1 2.83Å; I45-W107 HydrophobicContact CB-CZ2 3.99Å; I45-W107 HydrophobicContact CD1-CZ2 4.24Å; I45-W107 HydrophobicContact CG2-CH2 4.04Å; I45-W107 HydrophobicContact CG2-CZ2 3.71Å; V46-W107 HydrophobicContact CG1-CD2 4.17Å; V46-W107 VanDerWaalsContact CG1-CE2 3.43Å; V46-W107 HydrophobicContact CG1-CG 4.47Å; V46-W107 HydrophobicContact CG1-CZ2 3.68Å; V46-W107 VanDerWaalsContact CG1-NE1 3.31Å; W92-W107 HydrophobicContact CH2-CB 4.48Å; W92-W107 AromaticContact CH2-CD1 3.78Å; W92-W107 HydrophobicContact CH2-CG 4.35Å; W92-W107 HydrophobicContact CZ3-CB 4.16Å; W92-W107 AromaticContact CZ3-CD1 3.68Å; W92-W107 AromaticContact CZ3-CG 3.96Å; W92-W107 HydrophobicContact CZ3-CG 3.96Å; V104-W107 HydrophobicContact CG1-CB 3.29Å; V104-W107 HydrophobicContact CG1-CG 4.49Å; Y105-W107 PolarHBondContact O-N 3.18Å; Y105-W107 VanDerWaalsContact O-N 3.14Å; W107-G109 PolarHBondContact O-N 3.09Å; W107-S110 VanDerWaalsContact O-CB 3.22Å; W107-S110 WeakPolarHBondContact O-CB 3.44Å; W107-S110 PolarHBondContact O-N 3.35Å; W107-S110 PolarHBondContact O-OG 3.43Å; W107-N154 HydrophobicContact CB-CB 4.47Å; W107-N154 HydrophobicContact CD2-CB 4.18Å; W107-N154 HydrophobicContact CE3-CB 3.78Å; W107-N154 HydrophobicContact CG-CB 4.5Å; W107-N154 HydrophobicContact CZ3-CB 4.38Å; W107-L207 HydrophobicContact CH2-CD1 4.41Å
108P93.7Very high95Very high11 Ų1141.4 Ų41.47%0.07122%0.217CC..THydrogen-bonded Turntrans-49.7132.1176.7-30.937000112.8F39 H42 W86 S110F39-P108 HydrophobicContact CD1-CB 4.18Å; F39-P108 HydrophobicContact CD2-CB 4.02Å; F39-P108 HydrophobicContact CD2-CG 3.83Å; F39-P108 HydrophobicContact CE1-CB 4.17Å; F39-P108 HydrophobicContact CE2-CB 3.97Å; F39-P108 HydrophobicContact CE2-CG 3.71Å; F39-P108 HydrophobicContact CG-CB 4.11Å; F39-P108 HydrophobicContact CG-CG 4.4Å; F39-P108 HydrophobicContact CZ-CB 4.06Å; F39-P108 HydrophobicContact CZ-CG 4.23Å; H42-P108 HydrophobicContact CB-CB 4.29Å; H42-P108 HydrophobicContact CB-CG 3.76Å; W86-P108 HydrophobicContact CH2-CB 4.25Å; P108-S110 VanDerWaalsContact C-N 3.29Å; P108-S110 PolarHBondContact O-N 3.36Å
109G93.5Very high95Very high2 Ų239.5 Ų39.52%0.02121%0.207CC..THydrogen-bonded Turntrans83.5-11.6-179.600000115.5W107 D111 R112 I114W107-G109 PolarHBondContact O-N 3.09Å; G109-D111 VanDerWaalsContact C-N 3.3Å; G109-D111 PolarHBondContact O-N 3.12Å; G109-R112 WeakPolarHBondContact O-CB 3.24Å; G109-R112 PolarHBondContact O-N 2.91Å; G109-R112 VanDerWaalsContact O-N 3.14Å; G109-I114 WeakPolarHBondContact O-CD1 3.37Å
110S95.2Very high95.1Very high1 Ų138.2 Ų38.21%0.00719%0.186CC..THydrogen-bonded Turntrans-71.3-20.2-17666.40000115.1V104 W107 P108 R112 P119V104-S110 VanDerWaalsContact CG1-OG 3.3Å; V104-S110 WeakPolarHBondContact CG1-OG 3.37Å; W107-S110 VanDerWaalsContact O-CB 3.22Å; W107-S110 WeakPolarHBondContact O-CB 3.44Å; W107-S110 PolarHBondContact O-N 3.35Å; W107-S110 PolarHBondContact O-OG 3.43Å; P108-S110 VanDerWaalsContact C-N 3.29Å; P108-S110 PolarHBondContact O-N 3.36Å; S110-R112 VanDerWaalsContact C-N 3.28Å; S110-P119 WeakPolarHBondContact O-CD 3.25Å
111D92.2Very high95.1Very high20 Ų2038 Ų3811%0.10718%0.181CC..THydrogen-bonded Turntrans-87.14.6174.161-13.4000113.1G109 R118 W122G109-D111 VanDerWaalsContact C-N 3.3Å; G109-D111 PolarHBondContact O-N 3.12Å; D111-R118 PolarHBondContact O-NE 3.46Å; D111-W122 HydrophobicContact CB-CE3 3.63Å; D111-W122 HydrophobicContact CB-CZ3 3.57Å
112R92.7Very high95.1Very high32 Ų3238.8 Ų38.812%0.12118%0.182CC..SBendtrans-110148.4-179.3-46.2-59.4145.6163.26.6111.8E81 T83 G109 S110 I114 R118E81-R112 VanDerWaalsContact CD-NH1 3.34Å; E81-R112 VanDerWaalsContact CG-NH1 3.35Å; E81-R112 IonicContact OE1-CZ 3.31Å; E81-R112 IonicContact OE1-NH1 3.58Å; E81-R112 PolarHBondContact OE1-NH1 3.2Å; E81-R112 IonicContact OE1-NH2 2.8Å; T83-R112 HydrophobicContact CG2-CB 4.4Å; G109-R112 WeakPolarHBondContact O-CB 3.24Å; G109-R112 PolarHBondContact O-N 2.91Å; G109-R112 VanDerWaalsContact O-N 3.14Å; S110-R112 VanDerWaalsContact C-N 3.28Å; R112-I114 PolarHBondContact O-N 3.33Å; R112-I114 VanDerWaalsContact O-N 3.08Å; R112-R118 WeakPolarHBondContact O-CG 3.37Å
113E92.5Very high94.9Very high92 Ų9241.3 Ų41.343%0.4320%0.195SC..  trans-81.581.5176.3-76.9176.3-161.200111.3T83 K115 G116 R118T83-E113 HydrophobicContact CG2-CB 4.34Å; T83-E113 WeakPolarHBondContact CG2-O 3.21Å; E113-K115 PolarHBondContact O-N 2.96Å; E113-G116 PolarHBondContact O-N 3.5Å; E113-R118 HydrophobicContact CG-CG 3.98Å; E113-R118 VanDerWaalsContact CG-CZ 3.43Å; E113-R118 VanDerWaalsContact CG-NH1 3.28Å; E113-R118 IonicContact OE1-CZ 3.53Å; E113-R118 IonicContact OE1-NH1 2.69Å; E113-R118 PolarHBondContact OE1-NH1 3.17Å; E113-R118 IonicContact OE1-NH2 3.33Å
114I93.1Very high94.6Very high0 Ų048.5 Ų48.50%023%0.226CC..BIsolated β-bridgetrans-77118.9177.9-58.8163.7000108.1Y43 W86 P90 W92 N93 G109 R112 G116 R117Y43-I114 HydrophobicContact CE2-CD1 3.94Å; W86-I114 HydrophobicContact CB-CD1 4.15Å; W86-I114 HydrophobicContact CB-CG1 3.8Å; W86-I114 HydrophobicContact CG-CG1 4.35Å; P90-I114 HydrophobicContact CG-CD1 3.89Å; P90-I114 HydrophobicContact CG-CG2 4.43Å; W92-I114 HydrophobicContact CZ2-CD1 4.17Å; N93-I114 PolarHBondContact ND2-O 3.29Å; G109-I114 WeakPolarHBondContact O-CD1 3.37Å; R112-I114 PolarHBondContact O-N 3.33Å; R112-I114 VanDerWaalsContact O-N 3.08Å; I114-G116 PolarHBondContact O-N 3.06Å; I114-R117 PolarHBondContact N-O 3.06Å; I114-R117 VanDerWaalsContact N-O 3.07Å; I114-R117 PolarHBondContact O-N 3.14Å; I114-R117 VanDerWaalsContact O-N 3.14Å
115K87.2Confident94.3Very high141 Ų14153.2 Ų53.261%0.61325%0.245SC*.THydrogen-bonded Turntrans5138.5-171.7-59.6-175.7-179.1178.50113.1E113 R117E113-K115 PolarHBondContact O-N 2.96Å; K115-R117 VanDerWaalsContact C-N 3.32Å; K115-R117 PolarHBondContact O-N 2.89Å
116G90.2Very high94Very high57 Ų5755.9 Ų55.959%0.58826%0.26SS*.THydrogen-bonded Turntrans75.115.1177.100000114.8E113 I114E113-G116 PolarHBondContact O-N 3.5Å; I114-G116 PolarHBondContact O-N 3.06Å
117R94.6Very high93.7Very high130 Ų13061.8 Ų61.849%0.49129%0.288SS..BIsolated β-bridgetrans-135143.3178.1-65-176.1-177.41711.3112.1N93 I114 K115N93-R117 PolarHBondContact ND2-O 3.26Å; I114-R117 PolarHBondContact N-O 3.06Å; I114-R117 VanDerWaalsContact N-O 3.07Å; I114-R117 PolarHBondContact O-N 3.14Å; I114-R117 VanDerWaalsContact O-N 3.14Å; K115-R117 VanDerWaalsContact C-N 3.32Å; K115-R117 PolarHBondContact O-N 2.89Å
118R95.8Very high93.5Very high76 Ų7666.7 Ų66.729%0.28732%0.321SS..  trans-107.9166.1164.8-77.3-170.2-168.588.44.5109.4Q96 D111 R112 E113 W122Q96-R118 PolarHBondContact NE2-O 2.89Å; D111-R118 PolarHBondContact O-NE 3.46Å; R112-R118 WeakPolarHBondContact O-CG 3.37Å; E113-R118 HydrophobicContact CG-CG 3.98Å; E113-R118 VanDerWaalsContact CG-CZ 3.43Å; E113-R118 VanDerWaalsContact CG-NH1 3.28Å; E113-R118 IonicContact OE1-CZ 3.53Å; E113-R118 IonicContact OE1-NH1 2.69Å; E113-R118 PolarHBondContact OE1-NH1 3.17Å; E113-R118 IonicContact OE1-NH2 3.33Å; R118-W122 VanDerWaalsContact CD-CZ2 3.49Å
119P98Very high93.5Very high4 Ų467 Ų673%0.02632%0.324CS..  trans-51.4154.7163.3-19.128.4000111.9W92 S102 V104 S110 Y121 W122W92-P119 HydrophobicContact CB-CB 4.32Å; W92-P119 HydrophobicContact CB-CG 4.17Å; W92-P119 HydrophobicContact CD2-CG 4.21Å; W92-P119 HydrophobicContact CG-CB 4.39Å; W92-P119 HydrophobicContact CG-CG 3.74Å; S102-P119 WeakPolarHBondContact OG-CA 3.22Å; V104-P119 HydrophobicContact CB-CB 4.28Å; V104-P119 HydrophobicContact CB-CG 3.84Å; V104-P119 HydrophobicContact CG2-CB 3.78Å; V104-P119 HydrophobicContact CG2-CG 3.38Å; S110-P119 WeakPolarHBondContact O-CD 3.25Å; P119-Y121 VanDerWaalsContact C-N 3.28Å; P119-Y121 PolarHBondContact O-N 3.12Å; P119-W122 HydrophobicContact CB-CB 4.23Å; P119-W122 HydrophobicContact CG-CB 4.13Å
120T98.3Very high93.6Very high42 Ų4270.4 Ų70.426%0.25835%0.347SS..SBendtrans-59.2-42.9175.5-51.10000111Q96 K101 S102Q96-T120 PolarHBondContact OE1-OG1 3.4Å; K101-T120 HydrophobicContact CB-CG2 4.38Å; K101-T120 HydrophobicContact CD-CG2 3.85Å; K101-T120 HydrophobicContact CG-CG2 4.42Å; S102-T120 PolarHBondContact N-OG1 2.78Å; S102-T120 WeakPolarHBondContact O-CA 3.43Å; S102-T120 WeakPolarHBondContact O-CB 3.49Å; S102-T120 PolarHBondContact O-N 3.44Å
121Y98.4Very high93.6Very high55 Ų5571.1 Ų71.122%0.21635%0.353CS..BIsolated β-bridgetrans-121124.5172.4-51.8-78000109.6S102 A103 V104 P119 W141 L144 E148 P150S102-Y121 PolarHBondContact O-N 2.63Å; A103-Y121 CarbonylContact C-O 3.54Å; A103-Y121 VanDerWaalsContact CA-O 3.25Å; A103-Y121 WeakPolarHBondContact CA-O 3.32Å; A103-Y121 HydrophobicContact CB-CD2 4.14Å; V104-Y121 PolarHBondContact N-O 3.38Å; P119-Y121 VanDerWaalsContact C-N 3.28Å; P119-Y121 PolarHBondContact O-N 3.12Å; Y121-W141 AromaticContact CD1-NE1 3.99Å; Y121-W141 AromaticContact CG-NE1 3.65Å; Y121-L144 HydrophobicContact CE1-CD1 4.29Å; Y121-L144 HydrophobicContact CE2-CD1 3.93Å; Y121-E148 VanDerWaalsContact CE2-O 3.24Å; Y121-E148 WeakPolarHBondContact CE2-O 3.36Å; Y121-E148 PolarHBondContact OH-O 3.43Å; Y121-P150 HydrophobicContact CD2-CG 4.49Å
122W96.8Very high93.8Very high99 Ų9974.4 Ų74.438%0.37536%0.364SS..  trans-144.4162.3179.164.2-83000109.9V104 D111 R118 P119 K124V104-W122 WeakPolarHBondContact O-CA 3.42Å; D111-W122 HydrophobicContact CB-CE3 3.63Å; D111-W122 HydrophobicContact CB-CZ3 3.57Å; R118-W122 VanDerWaalsContact CD-CZ2 3.49Å; P119-W122 HydrophobicContact CB-CB 4.23Å; P119-W122 HydrophobicContact CG-CB 4.13Å; W122-K124 HydrophobicContact CZ3-CB 4.4Å
123L95.3Very high94Very high54 Ų5474.1 Ų74.128%0.28337%0.371SS..  trans-134.1136.9178.5-65.3168.9000108.9Y105 F106 W141Y105-L123 HydrophobicContact CD1-CD1 4.17Å; Y105-L123 HydrophobicContact CD2-CD1 3.5Å; Y105-L123 HydrophobicContact CE1-CD1 3.96Å; Y105-L123 HydrophobicContact CE2-CD1 3.28Å; Y105-L123 HydrophobicContact CG-CD1 3.93Å; F106-L123 HydrophobicContact CD1-CB 4.14Å; F106-L123 HydrophobicContact CE1-CB 3.86Å; L123-W141 HydrophobicContact CD1-CH2 4.48Å
124K92.5Very high94.2Very high151 Ų15169.9 Ų69.966%0.65735%0.351SS*.  trans-65.5135.9168.7-174.2174.1-177.8175.60109F106 W122 N126F106-K124 WeakPolarHBondContact CE1-O 3.5Å; W122-K124 HydrophobicContact CZ3-CB 4.4Å; K124-N126 PolarHBondContact O-N 2.9Å
125Y91.3Very high94.4Very high99 Ų9970 Ų7039%0.38835%0.352SS..  trans-53134-179.4-177.5-106.8000112.4F106 Q127 Y156F106-Y125 HydrophobicContact CB-CD2 3.93Å; F106-Y125 HydrophobicContact CB-CE2 4.49Å; F106-Y125 HydrophobicContact CD1-CD2 4.34Å; F106-Y125 AromaticContact CD2-CD2 3.74Å; F106-Y125 HydrophobicContact CD2-CD2 3.74Å; F106-Y125 AromaticContact CD2-CE2 4Å; F106-Y125 HydrophobicContact CD2-CE2 4Å; F106-Y125 HydrophobicContact CE2-CD2 4.3Å; F106-Y125 AromaticContact CG-CD2 3.77Å; F106-Y125 HydrophobicContact CG-CD2 3.77Å; F106-Y125 HydrophobicContact CG-CE2 4.41Å; Y125-Q127 HydrophobicContact CE1-CB 3.91Å; Y125-Y156 HydrophobicContact CE2-CD1 4.34Å; Y125-Y156 HydrophobicContact CE2-CE1 4.1Å
126N91.6Very high94.9Very high76 Ų7667 Ų6741%0.40634%0.343SS..  trans-143.6104.8172175.46.7000109.1F106 K124 T128 A129F106-N126 WeakPolarHBondContact CE2-O 3.44Å; F106-N126 HydrophobicContact CZ-CB 3.89Å; F106-N126 WeakPolarHBondContact CZ-O 3.26Å; K124-N126 PolarHBondContact O-N 2.9Å; N126-T128 PolarHBondContact ND2-OG1 2.75Å; N126-T128 PolarHBondContact O-N 3.45Å; N126-T128 VanDerWaalsContact O-N 3.1Å; N126-T128 PolarHBondContact OD1-N 2.82Å; N126-T128 PolarHBondContact OD1-OG1 2.8Å; N126-A129 HydrophobicContact CB-CB 4.42Å; N126-A129 VanDerWaalsContact O-CB 3.25Å; N126-A129 WeakPolarHBondContact O-CB 3.45Å; N126-A129 PolarHBondContact O-N 3.03Å
127Q88.4Confident95.3Very high137 Ų13767.6 Ų67.664%0.6433%0.329SS*.THydrogen-bonded Turntrans-56.1-28.2-179.3-169.4174.816.900113.5Y125 A129Y125-Q127 HydrophobicContact CE1-CB 3.91Å; Q127-A129 VanDerWaalsContact C-N 3.29Å; Q127-A129 PolarHBondContact O-N 2.79Å
128T92.5Very high95.5Very high122 Ų12262 Ų6275%0.74831%0.308SS*.THydrogen-bonded Turntrans-83.2-1.2-179.766.40000113.9N126 S130N126-T128 PolarHBondContact ND2-OG1 2.75Å; N126-T128 PolarHBondContact O-N 3.45Å; N126-T128 VanDerWaalsContact O-N 3.1Å; N126-T128 PolarHBondContact OD1-N 2.82Å; N126-T128 PolarHBondContact OD1-OG1 2.8Å; T128-S130 PolarHBondContact O-N 3.02Å
129A93.9Very high95.6Very high18 Ų1858.9 Ų58.915%0.14930%0.297CS..SBendtrans-68.7131.4-177.900000111.8F106 N126 Q127 S131 R134F106-A129 HydrophobicContact CE2-CB 3.7Å; F106-A129 HydrophobicContact CZ-CB 3.75Å; N126-A129 HydrophobicContact CB-CB 4.42Å; N126-A129 VanDerWaalsContact O-CB 3.25Å; N126-A129 WeakPolarHBondContact O-CB 3.45Å; N126-A129 PolarHBondContact O-N 3.03Å; Q127-A129 VanDerWaalsContact C-N 3.29Å; Q127-A129 PolarHBondContact O-N 2.79Å; A129-S131 PolarHBondContact O-N 2.9Å; A129-R134 PolarHBondContact O-NH2 3.37Å
130S95.9Very high95.6Very high72 Ų7263.3 Ų63.350%0.50332%0.317SS..  trans-55.3128.3179.61730000112.7T128 Y132 G133 R134T128-S130 PolarHBondContact O-N 3.02Å; S130-Y132 VanDerWaalsContact C-N 3.3Å; S130-Y132 PolarHBondContact O-N 3.42Å; S130-Y132 PolarHBondContact OG-N 2.02Å; S130-G133 PolarHBondContact O-N 3.16Å; S130-G133 PolarHBondContact OG-N 3.36Å; S130-G133 VanDerWaalsContact OG-N 3.12Å; S130-R134 PolarHBondContact O-N 2.84Å
131S95.2Very high95.6Very high17 Ų1761.4 Ų61.412%0.11931%0.306CS..Hα-helixtrans-65.7-30.1175.5-48.80000113.1A129 R134A129-S131 PolarHBondContact O-N 2.9Å; S131-R134 VanDerWaalsContact O-CB 3.26Å; S131-R134 WeakPolarHBondContact O-CB 3.34Å
132Y96.1Very high95.5Very high88 Ų8859.4 Ų59.435%0.34530%0.299SS..Hα-helixtrans-77.3-38.9172.8-71.4-88.1000111.5S130 R134 I135 D136 F181 Y188S130-Y132 VanDerWaalsContact C-N 3.3Å; S130-Y132 PolarHBondContact O-N 3.42Å; S130-Y132 PolarHBondContact OG-N 2.02Å; Y132-R134 PolarHBondContact O-N 2.99Å; Y132-I135 WeakPolarHBondContact O-CA 3.49Å; Y132-I135 WeakPolarHBondContact O-CB 3.46Å; Y132-I135 PolarHBondContact O-N 3.06Å; Y132-D136 PolarHBondContact O-N 3.31Å; Y132-F181 AromaticContact CE2-CE2 3.9Å; Y132-F181 HydrophobicContact CE2-CE2 3.9Å; Y132-Y188 AromaticContact CD1-CD1 3.55Å; Y132-Y188 HydrophobicContact CD1-CD1 3.55Å; Y132-Y188 HydrophobicContact CD1-CD2 4.27Å; Y132-Y188 HydrophobicContact CD1-CE1 4.08Å; Y132-Y188 AromaticContact CD1-CG 3.66Å; Y132-Y188 HydrophobicContact CD1-CG 3.66Å; Y132-Y188 HydrophobicContact CE1-CD1 4.24Å; Y132-Y188 AromaticContact CE1-CG 3.93Å; Y132-Y188 HydrophobicContact CE1-CG 3.93Å
133G96.8Very high95.5Very high26 Ų2660.4 Ų60.427%0.26831%0.306SS..Hα-helixtrans-63.2-29.2173.400000112.9S130 D136 K137S130-G133 PolarHBondContact O-N 3.16Å; S130-G133 PolarHBondContact OG-N 3.36Å; S130-G133 VanDerWaalsContact OG-N 3.12Å; G133-D136 PolarHBondContact O-N 3.39Å; G133-K137 PolarHBondContact O-N 3.27Å
134R96.5Very high95.7Very high3 Ų359 Ų591%0.01130%0.298CS..Hα-helixtrans-54.9-51166.7-98.2176.9-105.8-179.90.1111.1Y105 A129 S130 S131 Y132 K137 I138 Y156 F157 D158Y105-R134 HydrophobicContact CD1-CG 3.54Å; Y105-R134 HydrophobicContact CD2-CG 4.03Å; Y105-R134 HydrophobicContact CE1-CB 4.44Å; Y105-R134 HydrophobicContact CE1-CG 3.12Å; Y105-R134 HydrophobicContact CE2-CB 4.24Å; Y105-R134 HydrophobicContact CE2-CG 3.65Å; Y105-R134 HydrophobicContact CG-CG 4Å; A129-R134 PolarHBondContact O-NH2 3.37Å; S130-R134 PolarHBondContact O-N 2.84Å; S131-R134 VanDerWaalsContact O-CB 3.26Å; S131-R134 WeakPolarHBondContact O-CB 3.34Å; Y132-R134 PolarHBondContact O-N 2.99Å; R134-K137 WeakPolarHBondContact O-CB 3.4Å; R134-K137 PolarHBondContact O-N 3.21Å; R134-I138 WeakPolarHBondContact O-CG1 3.16Å; R134-I138 PolarHBondContact O-N 3.24Å; R134-Y156 PolarHBondContact NH1-O 3.46Å; R134-F157 HydrophobicContact CB-CE1 4.16Å; R134-F157 HydrophobicContact CB-CZ 4.36Å; R134-D158 IonicContact CZ-OD1 3.32Å; R134-D158 IonicContact NH1-OD1 3.1Å; R134-D158 PolarHBondContact NH1-OD1 2.98Å; R134-D158 IonicContact NH2-OD1 2.69Å; R134-D158 PolarHBondContact NH2-OD1 3.24Å
135I97.7Very high95.9Very high4 Ų455.3 Ų55.32%0.02129%0.29CS..Hα-helixtrans-61.8-46.1176.8-62.1-53.7000111.5Y132 K137 I138 L139 F157 I185 Y188 F189Y132-I135 WeakPolarHBondContact O-CA 3.49Å; Y132-I135 WeakPolarHBondContact O-CB 3.46Å; Y132-I135 PolarHBondContact O-N 3.06Å; I135-K137 PolarHBondContact O-N 2.89Å; I135-I138 HydrophobicContact CD1-CD1 3.75Å; I135-I138 WeakPolarHBondContact O-CA 3.35Å; I135-I138 WeakPolarHBondContact O-CB 3.26Å; I135-I138 PolarHBondContact O-N 2.82Å; I135-L139 HydrophobicContact CG2-CD2 3.59Å; I135-L139 WeakPolarHBondContact O-CD2 3.46Å; I135-L139 PolarHBondContact O-N 3.27Å; I135-F157 HydrophobicContact CD1-CZ 3.81Å; I135-F157 HydrophobicContact CG1-CZ 4.46Å; I135-I185 HydrophobicContact CD1-CG2 4.06Å; I135-I185 HydrophobicContact CG1-CG2 3.97Å; I135-Y188 HydrophobicContact CB-CD1 3.71Å; I135-Y188 HydrophobicContact CB-CE1 3.83Å; I135-Y188 HydrophobicContact CG1-CD1 4.12Å; I135-Y188 HydrophobicContact CG2-CD1 3.46Å; I135-Y188 VanDerWaalsContact CG2-CD1 3.46Å; I135-Y188 HydrophobicContact CG2-CE1 3.6Å; I135-F189 HydrophobicContact CD1-CB 3.89Å; I135-F189 HydrophobicContact CD1-CD2 4.16Å; I135-F189 HydrophobicContact CD1-CG 4.26Å; I135-F189 HydrophobicContact CG1-CB 4.4Å; I135-F189 HydrophobicContact CG2-CB 4.12Å; I135-F189 HydrophobicContact CG2-CD2 4.12Å
136D98.1Very high96.1Very high78 Ų7856.5 Ų56.542%0.41730%0.303SS..Hα-helixtrans-57.4-37.1178.4-63.6-28.4000112.4Y132 G133 L139 H140 Y188Y132-D136 PolarHBondContact O-N 3.31Å; G133-D136 PolarHBondContact O-N 3.39Å; D136-L139 PolarHBondContact O-N 3.39Å; D136-H140 PolarHBondContact O-N 3.2Å; D136-Y188 WeakPolarHBondContact OD1-CE1 3.35Å; D136-Y188 PolarHBondContact OD1-OH 3.28Å
137K98Very high96.3Very high69 Ų6958.4 Ų58.430%0.332%0.317SS..Hα-helixtrans-65.9-38.8176-172.758171.1177.60112.5Y105 G133 R134 I135 H140 W141Y105-K137 HydrophobicContact CD2-CB 4.13Å; Y105-K137 HydrophobicContact CD2-CG 4.07Å; Y105-K137 HydrophobicContact CE2-CB 3.78Å; Y105-K137 HydrophobicContact CE2-CG 3.91Å; G133-K137 PolarHBondContact O-N 3.27Å; R134-K137 WeakPolarHBondContact O-CB 3.4Å; R134-K137 PolarHBondContact O-N 3.21Å; I135-K137 PolarHBondContact O-N 2.89Å; K137-H140 WeakPolarHBondContact O-CB 3.12Å; K137-H140 PolarHBondContact O-N 3.1Å; K137-W141 HydrophobicContact CD-CZ2 4.33Å; K137-W141 HydrophobicContact CG-CD2 4.22Å; K137-W141 HydrophobicContact CG-CE3 4.39Å; K137-W141 HydrophobicContact CG-CH2 4.05Å; K137-W141 HydrophobicContact CG-CZ2 3.86Å; K137-W141 HydrophobicContact CG-CZ3 4.31Å; K137-W141 PolarHBondContact O-N 2.96Å
138I97.8Very high96.8Very high12 Ų1256.3 Ų56.36%0.06231%0.307CS..Hα-helixtrans-60.2-49.1173.3-58.4165000109.7R134 I135 H140 W141 L142 I153 V155 F189R134-I138 WeakPolarHBondContact O-CG1 3.16Å; R134-I138 PolarHBondContact O-N 3.24Å; I135-I138 HydrophobicContact CD1-CD1 3.75Å; I135-I138 WeakPolarHBondContact O-CA 3.35Å; I135-I138 WeakPolarHBondContact O-CB 3.26Å; I135-I138 PolarHBondContact O-N 2.82Å; I138-H140 VanDerWaalsContact C-N 3.27Å; I138-H140 PolarHBondContact O-N 3.34Å; I138-W141 WeakPolarHBondContact O-CB 3.38Å; I138-W141 PolarHBondContact O-N 3.01Å; I138-W141 VanDerWaalsContact O-N 3.1Å; I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 HydrophobicContact CG2-CG 4.29Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 3.07Å; I138-I153 HydrophobicContact CG1-CG2 4.37Å; I138-I153 HydrophobicContact CG2-CD1 3.94Å; I138-I153 HydrophobicContact CG2-CG2 4.36Å; I138-V155 HydrophobicContact CD1-CB 4.33Å; I138-V155 HydrophobicContact CD1-CG1 4.18Å; I138-V155 HydrophobicContact CD1-CG2 3.59Å; I138-V155 HydrophobicContact CG1-CG2 3.82Å; I138-F189 HydrophobicContact CG2-CE2 3.99Å
139L97.8Very high97.1Very high10 Ų1054.8 Ų54.85%0.05229%0.288CS..Hα-helixtrans-61.4-37.6179.4-83.1-55.7000111.7I135 D136 L142 K143 F189 L193 L198I135-L139 HydrophobicContact CG2-CD2 3.59Å; I135-L139 WeakPolarHBondContact O-CD2 3.46Å; I135-L139 PolarHBondContact O-N 3.27Å; D136-L139 PolarHBondContact O-N 3.39Å; L139-L142 PolarHBondContact O-N 2.89Å; L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.42Å; L139-K143 PolarHBondContact O-N 3.15Å; L139-K143 VanDerWaalsContact O-N 3.15Å; L139-F189 HydrophobicContact CD2-CD2 4.33Å; L139-L193 HydrophobicContact CD1-CD2 4.02Å; L139-L198 HydrophobicContact CD1-CD1 4.01Å
140H98Very high97.3Very high97 Ų9754.2 Ų54.245%0.44928%0.283SS..Hα-helixtrans-61.5-47173170.777.6000111.9D136 K137 I138 L142 K143 L144D136-H140 PolarHBondContact O-N 3.2Å; K137-H140 WeakPolarHBondContact O-CB 3.12Å; K137-H140 PolarHBondContact O-N 3.1Å; I138-H140 VanDerWaalsContact C-N 3.27Å; I138-H140 PolarHBondContact O-N 3.34Å; H140-L142 VanDerWaalsContact C-N 3.35Å; H140-L142 PolarHBondContact O-N 2.93Å; H140-K143 PolarHBondContact O-N 3.49Å; H140-L144 PolarHBondContact O-N 3.47Å
141W98.4Very high97.4Very high3 Ų353.3 Ų53.31%0.01128%0.276CS..Hα-helixtrans-61.3-41.4176.2-71.7-35000112.6A103 Y105 Y121 L123 K137 I138 K143 L144 P150 I153A103-W141 HydrophobicContact CB-CD2 3.77Å; A103-W141 HydrophobicContact CB-CE3 3.62Å; A103-W141 HydrophobicContact CB-CG 4.35Å; A103-W141 HydrophobicContact CB-CH2 4.15Å; A103-W141 HydrophobicContact CB-CZ2 4.28Å; A103-W141 HydrophobicContact CB-CZ3 3.82Å; Y105-W141 HydrophobicContact CD2-CH2 4.04Å; Y105-W141 HydrophobicContact CD2-CZ3 4.25Å; Y121-W141 AromaticContact CD1-NE1 3.99Å; Y121-W141 AromaticContact CG-NE1 3.65Å; L123-W141 HydrophobicContact CD1-CH2 4.48Å; K137-W141 HydrophobicContact CD-CZ2 4.33Å; K137-W141 HydrophobicContact CG-CD2 4.22Å; K137-W141 HydrophobicContact CG-CE3 4.39Å; K137-W141 HydrophobicContact CG-CH2 4.05Å; K137-W141 HydrophobicContact CG-CZ2 3.86Å; K137-W141 HydrophobicContact CG-CZ3 4.31Å; K137-W141 PolarHBondContact O-N 2.96Å; I138-W141 WeakPolarHBondContact O-CB 3.38Å; I138-W141 PolarHBondContact O-N 3.01Å; I138-W141 VanDerWaalsContact O-N 3.1Å; W141-K143 PolarHBondContact O-N 3.3Å; W141-L144 WeakPolarHBondContact O-CB 3.02Å; W141-L144 WeakPolarHBondContact O-CG 3.2Å; W141-L144 PolarHBondContact O-N 3.29Å; W141-P150 HydrophobicContact CB-CG 3.92Å; W141-I153 HydrophobicContact CB-CD1 4.17Å; W141-I153 HydrophobicContact CE3-CD1 4.46Å; W141-I153 HydrophobicContact CE3-CG2 3.79Å; W141-I153 HydrophobicContact CZ3-CG2 3.88Å
142L97.7Very high97.5Very high13 Ų1353.2 Ų53.27%0.06828%0.275CS..Hα-helixtrans-64.7-23177.2-68.8176.9000113.1I138 L139 H140 R149 I153 L193 L198 I202I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 HydrophobicContact CG2-CG 4.29Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 3.07Å; L139-L142 PolarHBondContact O-N 2.89Å; H140-L142 VanDerWaalsContact C-N 3.35Å; H140-L142 PolarHBondContact O-N 2.93Å; L142-R149 WeakPolarHBondContact O-CD 3.32Å; L142-R149 PolarHBondContact O-NE 3.41Å; L142-I153 HydrophobicContact CD2-CD1 3.6Å; L142-I153 HydrophobicContact CG-CD1 3.86Å; L142-L193 HydrophobicContact CD1-CD2 3.77Å; L142-L198 HydrophobicContact CB-CD1 4.01Å; L142-L198 HydrophobicContact CD1-CD1 4.22Å; L142-I202 HydrophobicContact CD1-CD1 4.18Å; L142-I202 HydrophobicContact CD1-CG1 4.39Å; L142-I202 HydrophobicContact CD2-CD1 3.61Å; L142-I202 HydrophobicContact CG-CD1 4.5Å
143K96.7Very high97.6Very high120 Ų12051 Ų5152%0.52227%0.269SS..THydrogen-bonded Turntrans-91.6-1.8178.4-71.6174.6179.5-173.50114.4L139 H140 W141 N196L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.42Å; L139-K143 PolarHBondContact O-N 3.15Å; L139-K143 VanDerWaalsContact O-N 3.15Å; H140-K143 PolarHBondContact O-N 3.49Å; W141-K143 PolarHBondContact O-N 3.3Å; K143-N196 WeakPolarHBondContact CE-OD1 3.22Å; K143-N196 PolarHBondContact NZ-OD1 3.31Å
144L98.2Very high97.7Very high23 Ų2350.4 Ų50.412%0.1226%0.259CS..SBendtrans-61.9155.6175.6-68.6174.2000111.1Y121 H140 W141 E148 R149Y121-L144 HydrophobicContact CE1-CD1 4.29Å; Y121-L144 HydrophobicContact CE2-CD1 3.93Å; H140-L144 PolarHBondContact O-N 3.47Å; W141-L144 WeakPolarHBondContact O-CB 3.02Å; W141-L144 WeakPolarHBondContact O-CG 3.2Å; W141-L144 PolarHBondContact O-N 3.29Å; L144-E148 HydrophobicContact CB-CB 4.15Å; L144-E148 HydrophobicContact CD1-CB 4.46Å; L144-R149 HydrophobicContact CB-CB 4.31Å; L144-R149 PolarHBondContact O-NE 2.82Å; L144-R149 PolarHBondContact O-NH2 2.87Å
145P97.6Very high97.7Very high74 Ų7451.7 Ų51.748%0.48127%0.268SS..  trans-54.7152.5170.9-23.834000111.8T147 E148 R149P145-T147 PolarHBondContact O-N 3.03Å; P145-E148 CarbonylContact O-C 3.48Å; P145-E148 WeakPolarHBondContact O-CA 3.25Å; P145-E148 PolarHBondContact O-N 3.18Å; P145-R149 PolarHBondContact O-N 3.48Å
146D95.2Very high97.7Very high125 Ų12552.4 Ų52.467%0.66827%0.27SS*.THydrogen-bonded Turntrans-54.9-31.9-173.2-66.6-11.8000114E148 R149D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 3.34Å; D146-R149 IonicContact OD1-CZ 3.13Å; D146-R149 IonicContact OD1-NH1 2.75Å; D146-R149 PolarHBondContact OD1-NH1 2.89Å; D146-R149 IonicContact OD1-NH2 2.82Å; D146-R149 PolarHBondContact OD1-NH2 3.44Å
147T96.6Very high97.6Very high115 Ų11549.6 Ų49.671%0.70625%0.254SS*.THydrogen-bonded Turntrans-74.3-1717852.10000114.2P145P145-T147 PolarHBondContact O-N 3.03Å
148E98Very high97.5Very high93 Ų9348 Ų4844%0.43525%0.249SC..THydrogen-bonded Turntrans-113.5-22.5-177.9-69.9-175.2-130.700112.3Y121 L144 P145 D146Y121-E148 VanDerWaalsContact CE2-O 3.24Å; Y121-E148 WeakPolarHBondContact CE2-O 3.36Å; Y121-E148 PolarHBondContact OH-O 3.43Å; L144-E148 HydrophobicContact CB-CB 4.15Å; L144-E148 HydrophobicContact CD1-CB 4.46Å; P145-E148 CarbonylContact O-C 3.48Å; P145-E148 WeakPolarHBondContact O-CA 3.25Å; P145-E148 PolarHBondContact O-N 3.18Å; D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 3.34Å
149R98.2Very high97.4Very high90 Ų9048.5 Ų48.534%0.3425%0.251SS..SBendtrans-63.2126.3-177.3-168.7-174.9-61128.415.7111.2L142 L144 P145 D146L142-R149 WeakPolarHBondContact O-CD 3.32Å; L142-R149 PolarHBondContact O-NE 3.41Å; L144-R149 HydrophobicContact CB-CB 4.31Å; L144-R149 PolarHBondContact O-NE 2.82Å; L144-R149 PolarHBondContact O-NH2 2.87Å; P145-R149 PolarHBondContact O-N 3.48Å; D146-R149 IonicContact OD1-CZ 3.13Å; D146-R149 IonicContact OD1-NH1 2.75Å; D146-R149 PolarHBondContact OD1-NH1 2.89Å; D146-R149 IonicContact OD1-NH2 2.82Å; D146-R149 PolarHBondContact OD1-NH2 3.44Å
150P98.5Very high97.4Very high7 Ų748.1 Ų48.15%0.04525%0.249CC..  trans-67.5139.1174.429.3-35000111.8K101 A103 Y121 W141 I153K101-P150 HydrophobicContact CB-CB 4.49Å; K101-P150 CarbonylContact O-C 3.48Å; K101-P150 WeakPolarHBondContact O-CA 3.34Å; A103-P150 HydrophobicContact CB-CB 3.76Å; A103-P150 HydrophobicContact CB-CG 3.74Å; Y121-P150 HydrophobicContact CD2-CG 4.49Å; W141-P150 HydrophobicContact CB-CG 3.92Å; P150-I153 HydrophobicContact CB-CG1 4.28Å; P150-I153 HydrophobicContact CG-CD1 3.96Å; P150-I153 HydrophobicContact CG-CG1 3.86Å
151S97.9Very high97.3Very high52 Ų5244.2 Ų44.236%0.36423%0.232SC..SBendtrans-84.3-20.8174.4-51.50000112.6K101K101-S151 PolarHBondContact O-N 2.77Å
152V98.2Very high97.2Very high15 Ų1545.9 Ų45.99%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-132.4136.5173.269.80000109.8V95 A103 I350 L354V95-V152 HydrophobicContact CB-CG1 4.16Å; V95-V152 HydrophobicContact CG1-CG1 4.09Å; V95-V152 HydrophobicContact CG2-CB 4.38Å; V95-V152 HydrophobicContact CG2-CG1 3.88Å; A103-V152 PolarHBondContact N-O 3.34Å; V152-I350 HydrophobicContact CG2-CG2 4.15Å; V152-L354 HydrophobicContact CB-CD1 4.27Å
153I98.5Very high97.1Very high42 Ų4245.7 Ų45.722%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-127.8110.4175.3-50.2-178.1000108.7A103 I138 W141 L142 P150 V155A103-I153 HydrophobicContact CB-CG1 4.24Å; A103-I153 HydrophobicContact CB-CG2 4.31Å; A103-I153 VanDerWaalsContact O-CA 3.25Å; A103-I153 WeakPolarHBondContact O-CA 3.46Å; I138-I153 HydrophobicContact CG1-CG2 4.37Å; I138-I153 HydrophobicContact CG2-CD1 3.94Å; I138-I153 HydrophobicContact CG2-CG2 4.36Å; W141-I153 HydrophobicContact CB-CD1 4.17Å; W141-I153 HydrophobicContact CE3-CD1 4.46Å; W141-I153 HydrophobicContact CE3-CG2 3.79Å; W141-I153 HydrophobicContact CZ3-CG2 3.88Å; L142-I153 HydrophobicContact CD2-CD1 3.6Å; L142-I153 HydrophobicContact CG-CD1 3.86Å; P150-I153 HydrophobicContact CB-CG1 4.28Å; P150-I153 HydrophobicContact CG-CD1 3.96Å; P150-I153 HydrophobicContact CG-CG1 3.86Å; I153-V155 HydrophobicContact CG2-CG2 3.8Å
154N98Very high97.1Very high13 Ų1340 Ų407%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-95.7129.2174.4-62.193.1000109.8A103 V104 Y105 W107A103-N154 PolarHBondContact O-N 3.23Å; V104-N154 CarbonylContact C-O 3.53Å; V104-N154 WeakPolarHBondContact CA-O 3.2Å; V104-N154 HydrophobicContact CG1-CB 4.06Å; V104-N154 HydrophobicContact CG2-CB 4.17Å; Y105-N154 PolarHBondContact N-O 3.17Å; W107-N154 HydrophobicContact CB-CB 4.47Å; W107-N154 HydrophobicContact CD2-CB 4.18Å; W107-N154 HydrophobicContact CE3-CB 3.78Å; W107-N154 HydrophobicContact CG-CB 4.5Å; W107-N154 HydrophobicContact CZ3-CB 4.38Å
155V97.7Very high97Very high31 Ų3140.9 Ų40.919%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-133.3129.8-176.8-176.40000111.3I138 I153 F157I138-V155 HydrophobicContact CD1-CB 4.33Å; I138-V155 HydrophobicContact CD1-CG1 4.18Å; I138-V155 HydrophobicContact CD1-CG2 3.59Å; I138-V155 HydrophobicContact CG1-CG2 3.82Å; I153-V155 HydrophobicContact CG2-CG2 3.8Å; V155-F157 HydrophobicContact CB-CE2 4.43Å; V155-F157 HydrophobicContact CG1-CD2 4.2Å; V155-F157 HydrophobicContact CG1-CE2 3.54Å; V155-F157 HydrophobicContact CG1-CZ 3.87Å
156Y96.8Very high96.9Very high18 Ų1843.7 Ų43.77%0.07123%0.234CC..  trans-102.1138.1178.8172.5-113.6000112.6D2 H42 Y105 F106 Y125 R134 D158D2-Y156 HydrophobicContact CB-CE2 3.79Å; D2-Y156 WeakPolarHBondContact OD2-CE2 3.27Å; D2-Y156 VanDerWaalsContact OD2-CZ 3.31Å; D2-Y156 PolarHBondContact OD2-OH 3.31Å; H42-Y156 AromaticContact CD2-CD2 3.95Å; H42-Y156 AromaticContact CE1-CE2 3.71Å; H42-Y156 AromaticContact NE2-CD2 3.17Å; H42-Y156 WeakPolarHBondContact NE2-CD2 3.36Å; H42-Y156 AromaticContact NE2-CE2 3.34Å; H42-Y156 VanDerWaalsContact NE2-CE2 3.34Å; H42-Y156 WeakPolarHBondContact NE2-CE2 3.35Å; Y105-Y156 PolarHBondContact O-N 3.05Å; F106-Y156 HydrophobicContact CB-CD1 4.07Å; Y125-Y156 HydrophobicContact CE2-CD1 4.34Å; Y125-Y156 HydrophobicContact CE2-CE1 4.1Å; R134-Y156 PolarHBondContact NH1-O 3.46Å; Y156-D158 HydrophobicContact CE1-CB 3.88Å; Y156-D158 WeakPolarHBondContact OH-CA 3.31Å
157F96.8Very high96.9Very high20 Ų2041.6 Ų41.69%0.08822%0.219CC..  trans-132.2124.5171-65.7-83.5000108.7D2 R134 I135 V155 E159 M182 I185D2-F157 WeakPolarHBondContact CB-O 3.18Å; D2-F157 PolarHBondContact N-O 3Å; R134-F157 HydrophobicContact CB-CE1 4.16Å; R134-F157 HydrophobicContact CB-CZ 4.36Å; I135-F157 HydrophobicContact CD1-CZ 3.81Å; I135-F157 HydrophobicContact CG1-CZ 4.46Å; V155-F157 HydrophobicContact CB-CE2 4.43Å; V155-F157 HydrophobicContact CG1-CD2 4.2Å; V155-F157 HydrophobicContact CG1-CE2 3.54Å; V155-F157 HydrophobicContact CG1-CZ 3.87Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-E159 PolarHBondContact O-N 3.16Å; F157-M182 HydrophobicContact CB-CE 3.57Å; F157-M182 HydrophobicContact CB-SD 4.47Å; F157-M182 HydrophobicContact CD1-CE 4.42Å; F157-M182 HydrophobicContact CD2-CE 4.49Å; F157-M182 HydrophobicContact CG-CE 3.94Å; F157-I185 HydrophobicContact CD1-CD1 4.27Å; F157-I185 HydrophobicContact CD1-CG2 4.48Å; F157-I185 HydrophobicContact CE1-CD1 4.29Å; F157-I185 HydrophobicContact CE1-CG2 3.75Å; F157-I185 HydrophobicContact CE2-CG2 4.4Å; F157-I185 HydrophobicContact CZ-CG2 3.7Å
158D95Very high96.9Very high34 Ų3436.3 Ų36.318%0.18219%0.188CC..  trans-80.1-2.7-170.848.7-57.7000114.9R134 Y156R134-D158 IonicContact CZ-OD1 3.32Å; R134-D158 IonicContact NH1-OD1 3.1Å; R134-D158 PolarHBondContact NH1-OD1 2.98Å; R134-D158 IonicContact NH2-OD1 2.69Å; R134-D158 PolarHBondContact NH2-OD1 3.24Å; Y156-D158 HydrophobicContact CE1-CB 3.88Å; Y156-D158 WeakPolarHBondContact OH-CA 3.31Å
159E96.5Very high96.8Very high24 Ų2432 Ų3211%0.11217%0.168CC..THydrogen-bonded Turntrans-116.1150.6179.8-68.7-79.9-15900110.5D2 F157 T163 K178 M182D2-E159 CarbonylContact O-C 3.54Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-E159 PolarHBondContact O-N 3.16Å; E159-T163 PolarHBondContact OE1-OG1 3.05Å; E159-T163 WeakPolarHBondContact OE2-CB 3.31Å; E159-T163 PolarHBondContact OE2-N 2.98Å; E159-T163 PolarHBondContact OE2-OG1 2.78Å; E159-K178 HydrophobicContact CG-CD 4.13Å; E159-K178 VanDerWaalsContact OE1-CE 3.25Å; E159-K178 WeakPolarHBondContact OE1-CE 3.47Å; E159-K178 IonicContact OE1-NZ 2.99Å; E159-K178 PolarHBondContact OE1-NZ 2.9Å; E159-M182 HydrophobicContact CB-CG 4.32Å; E159-M182 HydrophobicContact CB-SD 3.9Å
160P96.3Very high96.3Very high1 Ų131.7 Ų31.71%0.00617%0.173CC..THydrogen-bonded Turncis-85.59.37.736.4-39.5000116.4D2 F4 Y8 G162 T163 G164 L175 K178 L179D2-P160 WeakPolarHBondContact O-CD 3.48Å; F4-P160 HydrophobicContact CB-CG 4.11Å; F4-P160 HydrophobicContact CD2-CG 4.1Å; F4-P160 HydrophobicContact CG-CG 4.43Å; Y8-P160 HydrophobicContact CE2-CG 4.22Å; P160-G162 PolarHBondContact O-N 2.98Å; P160-T163 PolarHBondContact O-N 2.84Å; P160-T163 VanDerWaalsContact O-N 3.14Å; P160-G164 PolarHBondContact O-N 2.99Å; P160-L175 HydrophobicContact CB-CD1 3.89Å; P160-K178 HydrophobicContact CB-CB 4.41Å; P160-L179 HydrophobicContact CB-CD2 4.33Å; P160-L179 HydrophobicContact CG-CD2 4.04Å
161D96.8Very high95.1Very high16 Ų1635.4 Ų35.49%0.08620%0.199CC..Hα-helixtrans-49.8-56.1-175.2-175.368.6000114.4D2 T163 G164 H165 H210 M212 H311D2-D161 HydrophobicContact CB-CB 3.73Å; D2-D161 PolarHBondContact O-N 3.16Å; D161-T163 PolarHBondContact O-N 3.33Å; D161-G164 CarbonylContact O-C 3.57Å; D161-G164 WeakPolarHBondContact O-CA 3.35Å; D161-G164 PolarHBondContact O-N 3.1Å; D161-H165 PolarHBondContact O-N 3.08Å; D161-H165 IonicContact OD1-CD2 3.24Å; D161-H165 IonicContact OD1-NE2 2.79Å; D161-H165 IonicContact OD2-CD2 3.15Å; D161-H165 PolarHBondContact OD2-CD2 3.33Å; D161-H165 VanDerWaalsContact OD2-CD2 3.22Å; D161-H165 IonicContact OD2-NE2 3.45Å; D161-H165 PolarHBondContact OD2-NE2 3.5Å; D161-H210 IonicContact OD1-CE1 3.83Å; D161-H210 PolarHBondContact OD1-CE1 3.13Å; D161-M212 WeakPolarHBondContact OD1-CE 3.24Å; D161-H311 IonicContact OD1-CD2 2.8Å; D161-H311 PolarHBondContact OD1-CD2 3.12Å; D161-H311 IonicContact OD1-NE2 3.58Å
162G95.4Very high94.5Very high37 Ų3734.7 Ų34.738%0.38119%0.191SC..Hα-helixtrans-57.9-36.4-179.400000113.1P160 H166P160-G162 PolarHBondContact O-N 2.98Å; G162-H166 PolarHBondContact O-N 3.19Å
163T96.5Very high94.3Very high9 Ų940.3 Ų40.36%0.05522%0.217CC..Hα-helixtrans-71.5-40.1174.8-59.70000111.8E159 P160 D161 H165 H166 F167 Q174 L175 K178E159-T163 PolarHBondContact OE1-OG1 3.05Å; E159-T163 WeakPolarHBondContact OE2-CB 3.31Å; E159-T163 PolarHBondContact OE2-N 2.98Å; E159-T163 PolarHBondContact OE2-OG1 2.78Å; P160-T163 PolarHBondContact O-N 2.84Å; P160-T163 VanDerWaalsContact O-N 3.14Å; D161-T163 PolarHBondContact O-N 3.33Å; T163-H165 VanDerWaalsContact C-N 3.34Å; T163-H165 PolarHBondContact O-N 2.82Å; T163-H166 PolarHBondContact O-N 2.65Å; T163-F167 HydrophobicContact CG2-CD2 3.81Å; T163-F167 HydrophobicContact CG2-CE2 4.49Å; T163-F167 PolarHBondContact O-N 3.45Å; T163-Q174 HydrophobicContact CG2-CB 4.06Å; T163-L175 HydrophobicContact CG2-CB 4.47Å; T163-K178 HydrophobicContact CG2-CB 4.45Å; T163-K178 HydrophobicContact CG2-CG 3.98Å; T163-K178 WeakPolarHBondContact OG1-CG 3.47Å
164G97.1Very high94.2Very high1 Ų141.6 Ų41.61%0.0122%0.222CC..Hα-helixtrans-60.9-40.417500000112.5P160 D161 G168 G309P160-G164 PolarHBondContact O-N 2.99Å; D161-G164 CarbonylContact O-C 3.57Å; D161-G164 WeakPolarHBondContact O-CA 3.35Å; D161-G164 PolarHBondContact O-N 3.1Å; G164-G168 CarbonylContact O-C 3.49Å; G164-G168 WeakPolarHBondContact O-CA 3.36Å; G164-G168 PolarHBondContact O-N 3.33Å; G164-G309 WeakPolarHBondContact O-CA 2.93Å; G164-G309 PolarHBondContact O-N 3.37Å
165H96.2Very high94.1Very high41 Ų4141 Ų4119%0.1922%0.219CC..Hα-helixtrans-61.5-45.4173.6-83.8-54.6000113.1D161 T163 L308 G309 D310 H311D161-H165 PolarHBondContact O-N 3.08Å; D161-H165 IonicContact OD1-CD2 3.24Å; D161-H165 IonicContact OD1-NE2 2.79Å; D161-H165 IonicContact OD2-CD2 3.15Å; D161-H165 PolarHBondContact OD2-CD2 3.33Å; D161-H165 VanDerWaalsContact OD2-CD2 3.22Å; D161-H165 IonicContact OD2-NE2 3.45Å; D161-H165 PolarHBondContact OD2-NE2 3.5Å; T163-H165 VanDerWaalsContact C-N 3.34Å; T163-H165 PolarHBondContact O-N 2.82Å; H165-L308 PolarHBondContact O-N 2.76Å; H165-G309 WeakPolarHBondContact CA-O 3.42Å; H165-G309 PolarHBondContact ND1-O 3.24Å; H165-G309 PolarHBondContact O-N 3.03Å; H165-D310 IonicContact CE1-OD1 2.86Å; H165-D310 PolarHBondContact CE1-OD1 2.56Å; H165-H311 AromaticContact CE1-CD2 3.41Å; H165-H311 PolarHBondContact CE1-CD2 2.74Å; H165-H311 VanDerWaalsContact CE1-CD2 3.41Å; H165-H311 AromaticContact CE1-NE2 3.52Å; H165-H311 AromaticContact NE2-CD2 3.42Å; H165-H311 PolarHBondContact NE2-CD2 3.49Å; H165-H311 AromaticContact NE2-NE2 3.16Å; H165-H311 PolarHBondContact NE2-NE2 3.24Å; H165-H311 VanDerWaalsContact NE2-NE2 3.16Å
166H95.3Very high93.9Very high133 Ų13345.5 Ų45.562%0.61623%0.232SC*.Hα-helixtrans-81-36.2-172.1-158.377000113.5G162 T163 L308G162-H166 PolarHBondContact O-N 3.19Å; T163-H166 PolarHBondContact O-N 2.65Å; H166-L308 WeakPolarHBondContact O-CD1 3.43Å
167F95.4Very high93.9Very high81 Ų8149.5 Ų49.536%0.35525%0.251SS..Hα-helixtrans-114.2-6.1-173.1-60.4-77.2000114T163 N172 Q174T163-F167 HydrophobicContact CG2-CD2 3.81Å; T163-F167 HydrophobicContact CG2-CE2 4.49Å; T163-F167 PolarHBondContact O-N 3.45Å; F167-N172 PolarHBondContact O-ND2 3.27Å; F167-Q174 HydrophobicContact CB-CB 4.47Å; F167-Q174 HydrophobicContact CD1-CB 4.32Å; F167-Q174 HydrophobicContact CD1-CG 4Å; F167-Q174 HydrophobicContact CD2-CB 3.71Å; F167-Q174 HydrophobicContact CD2-CG 4.06Å; F167-Q174 HydrophobicContact CE1-CG 3.83Å; F167-Q174 HydrophobicContact CE2-CB 3.92Å; F167-Q174 HydrophobicContact CE2-CG 3.88Å; F167-Q174 HydrophobicContact CG-CB 3.91Å; F167-Q174 HydrophobicContact CG-CG 4.11Å; F167-Q174 HydrophobicContact CZ-CB 4.31Å; F167-Q174 HydrophobicContact CZ-CG 3.75Å
168G95.6Very high93.9Very high5 Ų551.7 Ų51.75%0.05226%0.261CS..  trans85.8165.1-17500000112.6G164 N172G164-G168 CarbonylContact O-C 3.49Å; G164-G168 WeakPolarHBondContact O-CA 3.36Å; G164-G168 PolarHBondContact O-N 3.33Å; G168-N172 PolarHBondContact O-ND2 3.3Å
169P95Very high94Very high2 Ų250.1 Ų50.11%0.01325%0.252CS..SBendtrans-84.9-10.8-175.235.1-38.1000114.5Y8 L175 M212 E214Y8-P169 WeakPolarHBondContact CE1-O 3.16Å; Y8-P169 WeakPolarHBondContact OH-CA 3.35Å; Y8-P169 WeakPolarHBondContact OH-CB 3.35Å; Y8-P169 PolarHBondContact OH-O 2.84Å; P169-L175 WeakPolarHBondContact O-CD2 3.25Å; P169-M212 HydrophobicContact CB-CB 3.93Å; P169-M212 HydrophobicContact CB-CG 3.75Å; P169-M212 WeakPolarHBondContact CB-O 3.47Å; P169-M212 HydrophobicContact CG-CG 4.4Å; P169-E214 HydrophobicContact CG-CB 4Å
170D88.9Confident94Very high84 Ų8452.1 Ų52.145%0.44926%0.264SS..SBendtrans-81.4157.9-179.1-68.5-26.7000111.2R5 N172R5-D170 IonicContact NH1-OD1 3.95Å; D170-N172 PolarHBondContact O-N 2.69Å; D170-N172 PolarHBondContact O-ND2 3.14Å
171S72.4Confident94.1Very high85 Ų8555.3 Ų55.359%0.59428%0.278SS*.SBendtrans-67.569.2-164.7-66.20000113.9N11N11-S171 PolarHBondContact ND2-OG 3.41Å; N11-S171 VanDerWaalsContact ND2-OG 3.09Å
172N85.7Confident94.1Very high36 Ų3654.7 Ų54.719%0.19327%0.274CS..  trans-82.2165167.265.964.2000110.2F167 G168 D170 Q174 L175 R176F167-N172 PolarHBondContact O-ND2 3.27Å; G168-N172 PolarHBondContact O-ND2 3.3Å; D170-N172 PolarHBondContact O-N 2.69Å; D170-N172 PolarHBondContact O-ND2 3.14Å; N172-Q174 VanDerWaalsContact C-N 3.3Å; N172-Q174 PolarHBondContact O-N 2.71Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.3Å; N172-Q174 PolarHBondContact OD1-N 3.23Å; N172-Q174 VanDerWaalsContact OD1-N 3.1Å; N172-Q174 PolarHBondContact OD1-OE1 2.66Å; N172-L175 WeakPolarHBondContact OD1-CB 3.17Å; N172-L175 PolarHBondContact OD1-N 3.45Å; N172-R176 WeakPolarHBondContact O-CB 3.5Å; N172-R176 PolarHBondContact O-N 3.03Å
173Q94.7Very high94.2Very high133 Ų13353.3 Ų53.362%0.62126%0.258SS*.Hα-helixtrans-59.5-41.8-177.3179.8-178.9-20.800111.9R176 E177Q173-R176 PolarHBondContact O-N 3.06Å; Q173-E177 HydrophobicContact CG-CG 4.46Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.22Å; Q173-E177 PolarHBondContact NE2-OE1 3.38Å; Q173-E177 VanDerWaalsContact O-CG 3.31Å; Q173-E177 WeakPolarHBondContact O-CG 3.33Å; Q173-E177 PolarHBondContact O-N 3.31Å
174Q95.7Very high94.3Very high70 Ų7053.8 Ų53.833%0.32726%0.264SS..Hα-helixtrans-67.2-45.6-175-64.980.9-2.200111.7T163 F167 N172 E177 K178T163-Q174 HydrophobicContact CG2-CB 4.06Å; F167-Q174 HydrophobicContact CB-CB 4.47Å; F167-Q174 HydrophobicContact CD1-CB 4.32Å; F167-Q174 HydrophobicContact CD1-CG 4Å; F167-Q174 HydrophobicContact CD2-CB 3.71Å; F167-Q174 HydrophobicContact CD2-CG 4.06Å; F167-Q174 HydrophobicContact CE1-CG 3.83Å; F167-Q174 HydrophobicContact CE2-CB 3.92Å; F167-Q174 HydrophobicContact CE2-CG 3.88Å; F167-Q174 HydrophobicContact CG-CB 3.91Å; F167-Q174 HydrophobicContact CG-CG 4.11Å; F167-Q174 HydrophobicContact CZ-CB 4.31Å; F167-Q174 HydrophobicContact CZ-CG 3.75Å; N172-Q174 VanDerWaalsContact C-N 3.3Å; N172-Q174 PolarHBondContact O-N 2.71Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.3Å; N172-Q174 PolarHBondContact OD1-N 3.23Å; N172-Q174 VanDerWaalsContact OD1-N 3.1Å; N172-Q174 PolarHBondContact OD1-OE1 2.66Å; Q174-E177 PolarHBondContact O-N 2.97Å; Q174-K178 WeakPolarHBondContact O-CG 3.34Å; Q174-K178 PolarHBondContact O-N 2.67Å; Q174-K178 VanDerWaalsContact O-N 3.08Å
175L95.2Very high94.4Very high1 Ų153.8 Ų53.81%0.00526%0.264CS..Hα-helixtrans-60.5-47.7173.5179.664.6000110.2Y8 P160 T163 P169 N172 E177 K178 L179Y8-L175 HydrophobicContact CE1-CD2 3.92Å; Y8-L175 HydrophobicContact CE2-CD1 4.17Å; P160-L175 HydrophobicContact CB-CD1 3.89Å; T163-L175 HydrophobicContact CG2-CB 4.47Å; P169-L175 WeakPolarHBondContact O-CD2 3.25Å; N172-L175 WeakPolarHBondContact OD1-CB 3.17Å; N172-L175 PolarHBondContact OD1-N 3.45Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.43Å; L175-K178 PolarHBondContact O-N 3.06Å; L175-L179 HydrophobicContact CD1-CG 4.35Å; L175-L179 HydrophobicContact CG-CD1 4.11Å; L175-L179 HydrophobicContact CG-CG 4.36Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 2.64Å
176R95.4Very high94.5Very high125 Ų12552.5 Ų52.547%0.47226%0.259SS..Hα-helixtrans-57.1-44.1178-175-179.2178.3-74.7-5.9112.3I13 N172 Q173 K178 L179 L180I13-R176 HydrophobicContact CD1-CB 4.48Å; I13-R176 HydrophobicContact CD1-CG 3.71Å; N172-R176 WeakPolarHBondContact O-CB 3.5Å; N172-R176 PolarHBondContact O-N 3.03Å; Q173-R176 PolarHBondContact O-N 3.06Å; R176-K178 VanDerWaalsContact C-N 3.3Å; R176-K178 PolarHBondContact O-N 3.07Å; R176-L179 PolarHBondContact O-N 3.44Å; R176-L180 VanDerWaalsContact NH1-CD1 3.34Å; R176-L180 PolarHBondContact O-N 3.02Å; R176-L180 VanDerWaalsContact O-N 3.12Å
177E96.5Very high94.6Very high101 Ų10149.9 Ų49.947%0.47225%0.249SC..Hα-helixtrans-60.5-39.5176-76.1172.6-171.200111.8Q173 Q174 L175 L180 F181Q173-E177 HydrophobicContact CG-CG 4.46Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.22Å; Q173-E177 PolarHBondContact NE2-OE1 3.38Å; Q173-E177 VanDerWaalsContact O-CG 3.31Å; Q173-E177 WeakPolarHBondContact O-CG 3.33Å; Q173-E177 PolarHBondContact O-N 3.31Å; Q174-E177 PolarHBondContact O-N 2.97Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.43Å; E177-L180 PolarHBondContact O-N 3Å; E177-F181 WeakPolarHBondContact O-CB 3.13Å; E177-F181 PolarHBondContact O-N 2.69Å
178K96.2Very high94.8Very high67 Ų6749.2 Ų49.229%0.29125%0.245SC..Hα-helixtrans-74.4-34.4179.2-69.6-77.3-174.6160.60113.5E159 P160 T163 Q174 L175 R176 F181 M182E159-K178 HydrophobicContact CG-CD 4.13Å; E159-K178 VanDerWaalsContact OE1-CE 3.25Å; E159-K178 WeakPolarHBondContact OE1-CE 3.47Å; E159-K178 IonicContact OE1-NZ 2.99Å; E159-K178 PolarHBondContact OE1-NZ 2.9Å; P160-K178 HydrophobicContact CB-CB 4.41Å; T163-K178 HydrophobicContact CG2-CB 4.45Å; T163-K178 HydrophobicContact CG2-CG 3.98Å; T163-K178 WeakPolarHBondContact OG1-CG 3.47Å; Q174-K178 WeakPolarHBondContact O-CG 3.34Å; Q174-K178 PolarHBondContact O-N 2.67Å; Q174-K178 VanDerWaalsContact O-N 3.08Å; L175-K178 PolarHBondContact O-N 3.06Å; R176-K178 VanDerWaalsContact C-N 3.3Å; R176-K178 PolarHBondContact O-N 3.07Å; K178-F181 WeakPolarHBondContact O-CB 3.38Å; K178-F181 PolarHBondContact O-N 2.9Å; K178-M182 WeakPolarHBondContact O-CG 3.49Å; K178-M182 PolarHBondContact O-N 3.45Å
179L96.9Very high94.9Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-62.6-44.5172-64.7173.9000111.2F4 Y8 I13 P160 L175 R176 F181 M182 D183F4-L179 HydrophobicContact CD2-CD2 3.74Å; F4-L179 HydrophobicContact CE2-CD2 3.38Å; F4-L179 HydrophobicContact CZ-CD2 3.99Å; Y8-L179 HydrophobicContact CD2-CD1 4.22Å; Y8-L179 HydrophobicContact CD2-CD2 3.51Å; Y8-L179 HydrophobicContact CD2-CG 4.47Å; Y8-L179 HydrophobicContact CE2-CD2 4.21Å; Y8-L179 HydrophobicContact CG-CD1 3.98Å; Y8-L179 HydrophobicContact CG-CD2 4.03Å; I13-L179 HydrophobicContact CD1-CB 3.85Å; I13-L179 HydrophobicContact CD1-CD1 3.88Å; I13-L179 HydrophobicContact CG1-CB 4.48Å; P160-L179 HydrophobicContact CB-CD2 4.33Å; P160-L179 HydrophobicContact CG-CD2 4.04Å; L175-L179 HydrophobicContact CD1-CG 4.35Å; L175-L179 HydrophobicContact CG-CD1 4.11Å; L175-L179 HydrophobicContact CG-CG 4.36Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 2.64Å; R176-L179 PolarHBondContact O-N 3.44Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 2.76Å; L179-M182 PolarHBondContact O-N 3.46Å; L179-D183 PolarHBondContact O-N 3.26Å
180L97.4Very high95Very high67 Ų6752 Ų5235%0.35126%0.255SS..Hα-helixtrans-62-39.8173.3-76.6166.1000112.2I13 R176 E177 D183 G184I13-L180 HydrophobicContact CB-CD2 4.24Å; I13-L180 WeakPolarHBondContact O-CD2 2.85Å; R176-L180 VanDerWaalsContact NH1-CD1 3.34Å; R176-L180 PolarHBondContact O-N 3.02Å; R176-L180 VanDerWaalsContact O-N 3.12Å; E177-L180 PolarHBondContact O-N 3Å; L180-D183 PolarHBondContact O-N 3.3Å; L180-G184 PolarHBondContact O-N 3.39Å
181F97.4Very high95.4Very high68 Ų6849.7 Ų49.730%0.29824%0.244SC..Hα-helixtrans-62.9-44.3176174.8-104.2000112.1Y132 E177 K178 L179 G184 I185Y132-F181 AromaticContact CE2-CE2 3.9Å; Y132-F181 HydrophobicContact CE2-CE2 3.9Å; E177-F181 WeakPolarHBondContact O-CB 3.13Å; E177-F181 PolarHBondContact O-N 2.69Å; K178-F181 WeakPolarHBondContact O-CB 3.38Å; K178-F181 PolarHBondContact O-N 2.9Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 2.76Å; F181-G184 PolarHBondContact O-N 3.02Å; F181-I185 HydrophobicContact CD1-CD1 3.82Å; F181-I185 HydrophobicContact CE1-CD1 3.41Å; F181-I185 VanDerWaalsContact CE1-CD1 3.41Å; F181-I185 HydrophobicContact CE1-CG1 4.44Å; F181-I185 HydrophobicContact CE2-CD1 4.42Å; F181-I185 HydrophobicContact CG-CD1 4.49Å; F181-I185 HydrophobicContact CZ-CD1 3.75Å; F181-I185 HydrophobicContact CZ-CG1 4.42Å; F181-I185 WeakPolarHBondContact O-CG1 3.13Å; F181-I185 PolarHBondContact O-N 2.57Å
182M97.5Very high96.6Very high2 Ų246 Ų461%0.0122%0.219CC..Hα-helixtrans-65-41.4176.9-70.1-49.7-62.600112.3M1 F157 E159 K178 L179 G184 I185 L186M1-M182 HydrophobicContact CB-CE 3.99Å; M1-M182 HydrophobicContact CG-CE 3.52Å; M1-M182 HydrophobicContact SD-CB 4.25Å; M1-M182 HydrophobicContact SD-CE 3.64Å; F157-M182 HydrophobicContact CB-CE 3.57Å; F157-M182 HydrophobicContact CB-SD 4.47Å; F157-M182 HydrophobicContact CD1-CE 4.42Å; F157-M182 HydrophobicContact CD2-CE 4.49Å; F157-M182 HydrophobicContact CG-CE 3.94Å; E159-M182 HydrophobicContact CB-CG 4.32Å; E159-M182 HydrophobicContact CB-SD 3.9Å; K178-M182 WeakPolarHBondContact O-CG 3.49Å; K178-M182 PolarHBondContact O-N 3.45Å; L179-M182 PolarHBondContact O-N 3.46Å; M182-G184 VanDerWaalsContact C-N 3.32Å; M182-G184 PolarHBondContact O-N 2.62Å; M182-I185 HydrophobicContact CE-CD1 4.38Å; M182-I185 PolarHBondContact O-N 3.15Å; M182-I185 HydrophobicContact SD-CD1 3.81Å; M182-L186 PolarHBondContact O-N 2.83Å
183D98.2Very high97.2Very high9 Ų944.5 Ų44.55%0.04821%0.211CC..Hα-helixtrans-60.5-42.8172.3-167.882.6000111.5T14 P15 T16 I17 L179 L180 I185 L186 N187T14-D183 WeakPolarHBondContact CA-OD1 3.37Å; T14-D183 WeakPolarHBondContact CB-OD1 3.29Å; T14-D183 HydrophobicContact CG2-CB 4.24Å; P15-D183 WeakPolarHBondContact CD-OD2 3.25Å; T16-D183 WeakPolarHBondContact CA-OD1 3.34Å; T16-D183 VanDerWaalsContact CB-CG 3.48Å; T16-D183 VanDerWaalsContact CB-OD1 3.22Å; T16-D183 WeakPolarHBondContact CB-OD1 3.49Å; T16-D183 VanDerWaalsContact CB-OD2 3.24Å; T16-D183 WeakPolarHBondContact CB-OD2 3.39Å; T16-D183 PolarHBondContact N-OD1 2.73Å; T16-D183 PolarHBondContact N-OD2 3.33Å; T16-D183 VanDerWaalsContact N-OD2 3.13Å; T16-D183 PolarHBondContact OG1-OD2 2.85Å; I17-D183 PolarHBondContact N-OD1 2.75Å; L179-D183 PolarHBondContact O-N 3.26Å; L180-D183 PolarHBondContact O-N 3.3Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 3.3Å; D183-L186 PolarHBondContact O-N 3.01Å; D183-L186 VanDerWaalsContact O-N 3.16Å; D183-N187 PolarHBondContact O-N 2.83Å
184G98.3Very high97.3Very high18 Ų1846.9 Ų46.919%0.18621%0.214CC..Hα-helixtrans-61.3-36.3176.200000114.1L180 F181 M182 N187 Y188L180-G184 PolarHBondContact O-N 3.39Å; F181-G184 PolarHBondContact O-N 3.02Å; M182-G184 VanDerWaalsContact C-N 3.32Å; M182-G184 PolarHBondContact O-N 2.62Å; G184-N187 PolarHBondContact O-N 3.43Å; G184-Y188 WeakPolarHBondContact O-CB 3.44Å; G184-Y188 PolarHBondContact O-N 3.2Å
185I98.1Very high97.4Very high1 Ų151.7 Ų51.71%0.00523%0.229CC..Hα-helixtrans-63.4-45.1173.3-71.1163000110.6I135 F157 F181 M182 D183 Y188 F189I135-I185 HydrophobicContact CD1-CG2 4.06Å; I135-I185 HydrophobicContact CG1-CG2 3.97Å; F157-I185 HydrophobicContact CD1-CD1 4.27Å; F157-I185 HydrophobicContact CD1-CG2 4.48Å; F157-I185 HydrophobicContact CE1-CD1 4.29Å; F157-I185 HydrophobicContact CE1-CG2 3.75Å; F157-I185 HydrophobicContact CE2-CG2 4.4Å; F157-I185 HydrophobicContact CZ-CG2 3.7Å; F181-I185 HydrophobicContact CD1-CD1 3.82Å; F181-I185 HydrophobicContact CE1-CD1 3.41Å; F181-I185 VanDerWaalsContact CE1-CD1 3.41Å; F181-I185 HydrophobicContact CE1-CG1 4.44Å; F181-I185 HydrophobicContact CE2-CD1 4.42Å; F181-I185 HydrophobicContact CG-CD1 4.49Å; F181-I185 HydrophobicContact CZ-CD1 3.75Å; F181-I185 HydrophobicContact CZ-CG1 4.42Å; F181-I185 WeakPolarHBondContact O-CG1 3.13Å; F181-I185 PolarHBondContact O-N 2.57Å; M182-I185 HydrophobicContact CE-CD1 4.38Å; M182-I185 PolarHBondContact O-N 3.15Å; M182-I185 HydrophobicContact SD-CD1 3.81Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 3.3Å; I185-Y188 PolarHBondContact O-N 3.06Å; I185-F189 PolarHBondContact O-N 3.22Å
186L98Very high97.4Very high14 Ų1454.3 Ų54.37%0.07324%0.243CC..Hα-helixtrans-64.9-41.5177.3-66177.2000111.1M1 T16 I17 M182 D183 Y188 F189 F190 I206M1-L186 HydrophobicContact CE-CD1 4.44Å; M1-L186 HydrophobicContact SD-CD1 4.06Å; T16-L186 HydrophobicContact CG2-CB 4.15Å; I17-L186 HydrophobicContact CD1-CD1 4Å; I17-L186 HydrophobicContact CG1-CD1 3.57Å; M182-L186 PolarHBondContact O-N 2.83Å; D183-L186 PolarHBondContact O-N 3.01Å; D183-L186 VanDerWaalsContact O-N 3.16Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 3.28Å; L186-F189 WeakPolarHBondContact O-CB 3.45Å; L186-F189 PolarHBondContact O-N 3.14Å; L186-F189 VanDerWaalsContact O-N 3.17Å; L186-F190 WeakPolarHBondContact O-CD2 3.41Å; L186-F190 PolarHBondContact O-N 3Å; L186-I206 HydrophobicContact CD1-CG2 4.11Å; L186-I206 HydrophobicContact CD2-CG1 4.16Å; L186-I206 HydrophobicContact CD2-CG2 4.4Å
187N98.4Very high97.5Very high78 Ų7855.5 Ų55.542%0.41726%0.259SS..Hα-helixtrans-58.1-45175-178.351.5000111.2T16 D183 G184 F189 T191T16-N187 HydrophobicContact CG2-CB 4.12Å; T16-N187 WeakPolarHBondContact OG1-CB 3.35Å; D183-N187 PolarHBondContact O-N 2.83Å; G184-N187 PolarHBondContact O-N 3.43Å; N187-F189 VanDerWaalsContact C-N 3.35Å; N187-F189 PolarHBondContact O-N 3.07Å; N187-T191 WeakPolarHBondContact O-CB 3.29Å; N187-T191 PolarHBondContact O-N 3.16Å; N187-T191 PolarHBondContact O-OG1 2.9Å
188Y98.4Very high97.5Very high68 Ų6852.1 Ų52.127%0.26724%0.244SC..Hα-helixtrans-62.6-41.4177.1-178.2-111.5000112.1Y132 I135 D136 G184 I185 L186 S192Y132-Y188 AromaticContact CD1-CD1 3.55Å; Y132-Y188 HydrophobicContact CD1-CD1 3.55Å; Y132-Y188 HydrophobicContact CD1-CD2 4.27Å; Y132-Y188 HydrophobicContact CD1-CE1 4.08Å; Y132-Y188 AromaticContact CD1-CG 3.66Å; Y132-Y188 HydrophobicContact CD1-CG 3.66Å; Y132-Y188 HydrophobicContact CE1-CD1 4.24Å; Y132-Y188 AromaticContact CE1-CG 3.93Å; Y132-Y188 HydrophobicContact CE1-CG 3.93Å; I135-Y188 HydrophobicContact CB-CD1 3.71Å; I135-Y188 HydrophobicContact CB-CE1 3.83Å; I135-Y188 HydrophobicContact CG1-CD1 4.12Å; I135-Y188 HydrophobicContact CG2-CD1 3.46Å; I135-Y188 VanDerWaalsContact CG2-CD1 3.46Å; I135-Y188 HydrophobicContact CG2-CE1 3.6Å; D136-Y188 WeakPolarHBondContact OD1-CE1 3.35Å; D136-Y188 PolarHBondContact OD1-OH 3.28Å; G184-Y188 WeakPolarHBondContact O-CB 3.44Å; G184-Y188 PolarHBondContact O-N 3.2Å; I185-Y188 PolarHBondContact O-N 3.06Å; L186-Y188 VanDerWaalsContact C-N 3.29Å; L186-Y188 PolarHBondContact O-N 3.28Å; Y188-S192 WeakPolarHBondContact O-CB 3.27Å; Y188-S192 PolarHBondContact O-N 2.85Å; Y188-S192 PolarHBondContact O-OG 3.08Å
189F98Very high97.4Very high24 Ų2451.6 Ų51.611%0.10525%0.247CC..Hα-helixtrans-59.9-55.2175.5175.8-118.4000112.2I135 I138 L139 I185 L186 N187 T191 S192 L193 A204I135-F189 HydrophobicContact CD1-CB 3.89Å; I135-F189 HydrophobicContact CD1-CD2 4.16Å; I135-F189 HydrophobicContact CD1-CG 4.26Å; I135-F189 HydrophobicContact CG1-CB 4.4Å; I135-F189 HydrophobicContact CG2-CB 4.12Å; I135-F189 HydrophobicContact CG2-CD2 4.12Å; I138-F189 HydrophobicContact CG2-CE2 3.99Å; L139-F189 HydrophobicContact CD2-CD2 4.33Å; I185-F189 PolarHBondContact O-N 3.22Å; L186-F189 WeakPolarHBondContact O-CB 3.45Å; L186-F189 PolarHBondContact O-N 3.14Å; L186-F189 VanDerWaalsContact O-N 3.17Å; N187-F189 VanDerWaalsContact C-N 3.35Å; N187-F189 PolarHBondContact O-N 3.07Å; F189-T191 PolarHBondContact O-N 2.65Å; F189-S192 WeakPolarHBondContact O-CB 3.31Å; F189-S192 PolarHBondContact O-N 2.88Å; F189-S192 VanDerWaalsContact O-N 3.13Å; F189-L193 HydrophobicContact CD1-CD1 4.35Å; F189-L193 HydrophobicContact CD2-CG 4.45Å; F189-L193 HydrophobicContact CE1-CD1 3.76Å; F189-L193 HydrophobicContact CE2-CD1 4.11Å; F189-L193 HydrophobicContact CE2-CD2 4.13Å; F189-L193 HydrophobicContact CE2-CG 4.09Å; F189-L193 HydrophobicContact CZ-CD1 3.64Å; F189-L193 HydrophobicContact CZ-CD2 4.33Å; F189-L193 HydrophobicContact CZ-CG 4.15Å; F189-L193 WeakPolarHBondContact O-CG 3.2Å; F189-L193 PolarHBondContact O-N 2.84Å; F189-A204 HydrophobicContact CE1-CB 4.11Å
190F97.5Very high97.2Very high40 Ų4058.2 Ų58.218%0.17528%0.282CS..Hα-helixtrans-68-36.6-178-78-77.4000113L20 L186 S192 L193 W194 A204 I206 V327L20-F190 HydrophobicContact CD1-CD2 3.87Å; L20-F190 HydrophobicContact CD1-CE2 3.39Å; L20-F190 HydrophobicContact CD1-CZ 4.08Å; L20-F190 HydrophobicContact CD2-CD1 4.14Å; L20-F190 HydrophobicContact CD2-CD2 3.81Å; L20-F190 HydrophobicContact CD2-CE1 3.93Å; L20-F190 HydrophobicContact CD2-CE2 3.59Å; L20-F190 HydrophobicContact CD2-CG 4.1Å; L20-F190 HydrophobicContact CD2-CZ 3.66Å; L20-F190 HydrophobicContact CG-CD2 4.42Å; L20-F190 HydrophobicContact CG-CE2 4.14Å; L186-F190 WeakPolarHBondContact O-CD2 3.41Å; L186-F190 PolarHBondContact O-N 3Å; F190-S192 VanDerWaalsContact C-N 3.28Å; F190-S192 PolarHBondContact O-N 2.95Å; F190-L193 HydrophobicContact CD1-CD1 4.18Å; F190-L193 HydrophobicContact CE1-CD1 4.36Å; F190-L193 PolarHBondContact O-N 3Å; F190-W194 WeakPolarHBondContact O-CB 3.3Å; F190-W194 PolarHBondContact O-N 2.8Å; F190-A204 HydrophobicContact CE1-CB 4.35Å; F190-A204 HydrophobicContact CZ-CB 3.92Å; F190-I206 HydrophobicContact CE2-CD1 4.25Å; F190-I206 HydrophobicContact CZ-CD1 4.09Å; F190-V327 HydrophobicContact CE1-CG2 3.65Å; F190-V327 HydrophobicContact CZ-CG2 3.41Å; F190-V327 VanDerWaalsContact CZ-CG2 3.41Å
191T97.9Very high97.1Very high36 Ų3659.4 Ų59.422%0.22130%0.295CS..Hα-helixtrans-61.8-39.7171.6-62.40000111.1N187 F189 W194 R195N187-T191 WeakPolarHBondContact O-CB 3.29Å; N187-T191 PolarHBondContact O-N 3.16Å; N187-T191 PolarHBondContact O-OG1 2.9Å; F189-T191 PolarHBondContact O-N 2.65Å; T191-W194 PolarHBondContact O-N 3.38Å; T191-R195 HydrophobicContact CG2-CG 4.45Å; T191-R195 WeakPolarHBondContact O-CG 3.22Å; T191-R195 PolarHBondContact O-N 3.26Å
192S97.9Very high97.1Very high9 Ų957.9 Ų57.96%0.06329%0.289CS..Hα-helixtrans-68.6-38.9177.2-63.30000111.9Y188 F189 F190 W194 N196Y188-S192 WeakPolarHBondContact O-CB 3.27Å; Y188-S192 PolarHBondContact O-N 2.85Å; Y188-S192 PolarHBondContact O-OG 3.08Å; F189-S192 WeakPolarHBondContact O-CB 3.31Å; F189-S192 PolarHBondContact O-N 2.88Å; F189-S192 VanDerWaalsContact O-N 3.13Å; F190-S192 VanDerWaalsContact C-N 3.28Å; F190-S192 PolarHBondContact O-N 2.95Å; S192-W194 VanDerWaalsContact C-N 3.33Å; S192-N196 PolarHBondContact O-N 3.38Å; S192-N196 PolarHBondContact O-ND2 3.44Å
193L97.6Very high97.1Very high3 Ų360.1 Ų60.12%0.01630%0.301CS..Hα-helixtrans-60.3-44.6171.4-67.9-179.5000111.3L139 L142 F189 F190 N196 D197 L198 V199 I202L139-L193 HydrophobicContact CD1-CD2 4.02Å; L142-L193 HydrophobicContact CD1-CD2 3.77Å; F189-L193 HydrophobicContact CD1-CD1 4.35Å; F189-L193 HydrophobicContact CD2-CG 4.45Å; F189-L193 HydrophobicContact CE1-CD1 3.76Å; F189-L193 HydrophobicContact CE2-CD1 4.11Å; F189-L193 HydrophobicContact CE2-CD2 4.13Å; F189-L193 HydrophobicContact CE2-CG 4.09Å; F189-L193 HydrophobicContact CZ-CD1 3.64Å; F189-L193 HydrophobicContact CZ-CD2 4.33Å; F189-L193 HydrophobicContact CZ-CG 4.15Å; F189-L193 WeakPolarHBondContact O-CG 3.2Å; F189-L193 PolarHBondContact O-N 2.84Å; F190-L193 HydrophobicContact CD1-CD1 4.18Å; F190-L193 HydrophobicContact CE1-CD1 4.36Å; F190-L193 PolarHBondContact O-N 3Å; L193-N196 CarbonylContact O-C 3.39Å; L193-N196 PolarHBondContact O-N 3.22Å; L193-D197 PolarHBondContact O-N 2.99Å; L193-L198 HydrophobicContact CB-CB 4.3Å; L193-L198 HydrophobicContact CD2-CB 3.8Å; L193-L198 HydrophobicContact CD2-CD1 4.1Å; L193-L198 PolarHBondContact O-N 2.96Å; L193-V199 HydrophobicContact CB-CG2 3.87Å; L193-I202 HydrophobicContact CD1-CB 4.46Å; L193-I202 HydrophobicContact CD1-CG2 4.38Å; L193-I202 HydrophobicContact CD2-CG1 4.23Å
194W96.4Very high97.1Very high183 Ų18360.3 Ų60.369%0.69330%0.304SS*.Hα-helixtrans-63.2-47.1-179.8179.476.3000112.4F190 T191 S192 N196 D197 V199F190-W194 WeakPolarHBondContact O-CB 3.3Å; F190-W194 PolarHBondContact O-N 2.8Å; T191-W194 PolarHBondContact O-N 3.38Å; S192-W194 VanDerWaalsContact C-N 3.33Å; W194-N196 PolarHBondContact O-N 3.08Å; W194-N196 VanDerWaalsContact O-N 3.09Å; W194-D197 PolarHBondContact O-N 2.64Å; W194-D197 VanDerWaalsContact O-N 3.16Å; W194-V199 VanDerWaalsContact CA-CG2 3.45Å; W194-V199 HydrophobicContact CB-CG2 3.8Å
195R97.5Very high97.1Very high171 Ų17161.8 Ų61.865%0.64531%0.307SS*.Hα-helixtrans-63.7-15.2177.7-73.1177.6179169.30.8114.5T191T191-R195 HydrophobicContact CG2-CG 4.45Å; T191-R195 WeakPolarHBondContact O-CG 3.22Å; T191-R195 PolarHBondContact O-N 3.26Å
196N96.8Very high97.1Very high57 Ų5762.4 Ų62.431%0.30531%0.31SS..THydrogen-bonded Turntrans-114.513.8-179-68.2-82.5000112.4K143 S192 L193 W194 L198K143-N196 WeakPolarHBondContact CE-OD1 3.22Å; K143-N196 PolarHBondContact NZ-OD1 3.31Å; S192-N196 PolarHBondContact O-N 3.38Å; S192-N196 PolarHBondContact O-ND2 3.44Å; L193-N196 CarbonylContact O-C 3.39Å; L193-N196 PolarHBondContact O-N 3.22Å; W194-N196 PolarHBondContact O-N 3.08Å; W194-N196 VanDerWaalsContact O-N 3.09Å; N196-L198 HydrophobicContact CB-CD1 4.08Å; N196-L198 HydrophobicContact CB-CG 4.19Å; N196-L198 WeakPolarHBondContact O-CG 3.45Å; N196-L198 PolarHBondContact O-N 3.45Å
197D96.3Very high97.1Very high149 Ų14962.6 Ų62.680%0.79731%0.311SS*.THydrogen-bonded Turntrans57.830.7179.1-56.6-59.3000114L193 W194L193-D197 PolarHBondContact O-N 2.99Å; W194-D197 PolarHBondContact O-N 2.64Å; W194-D197 VanDerWaalsContact O-N 3.16Å
198L96.4Very high97.1Very high30 Ų3058.9 Ų58.916%0.15729%0.292CS..  trans-100.3-10.3-176.5-67.2173.5000114.2L139 L142 L193 N196 N200 C201 I202L139-L198 HydrophobicContact CD1-CD1 4.01Å; L142-L198 HydrophobicContact CB-CD1 4.01Å; L142-L198 HydrophobicContact CD1-CD1 4.22Å; L193-L198 HydrophobicContact CB-CB 4.3Å; L193-L198 HydrophobicContact CD2-CB 3.8Å; L193-L198 HydrophobicContact CD2-CD1 4.1Å; L193-L198 PolarHBondContact O-N 2.96Å; N196-L198 HydrophobicContact CB-CD1 4.08Å; N196-L198 HydrophobicContact CB-CG 4.19Å; N196-L198 WeakPolarHBondContact O-CG 3.45Å; N196-L198 PolarHBondContact O-N 3.45Å; L198-N200 VanDerWaalsContact C-N 3.3Å; L198-N200 PolarHBondContact O-N 3.2Å; L198-C201 WeakPolarHBondContact O-CB 3.49Å; L198-C201 PolarHBondContact O-N 3.28Å; L198-I202 HydrophobicContact CB-CG1 4.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.21Å; L198-I202 PolarHBondContact O-N 3.27Å
199V93.8Very high97Very high57 Ų5755.8 Ų55.835%0.34528%0.279SS..G310 helixtrans-56.1-42.1-172.3173.90000112.7L193 W194 C201L193-V199 HydrophobicContact CB-CG2 3.87Å; W194-V199 VanDerWaalsContact CA-CG2 3.45Å; W194-V199 HydrophobicContact CB-CG2 3.8Å; V199-C201 PolarHBondContact O-N 3.26Å
200N93Very high97Very high139 Ų13954.6 Ų54.674%0.74327%0.274SS*.G310 helixtrans-83.30.4-178.4-64.2-32.7000113.6L198 P329L198-N200 VanDerWaalsContact C-N 3.3Å; L198-N200 PolarHBondContact O-N 3.2Å; N200-P329 WeakPolarHBondContact O-CG 3.24Å
201C95Very high97Very high91 Ų9152.7 Ų52.762%0.61527%0.266SS*.G310 helixtrans-108.1-10.2-177.2-58.90000112.4L198 V199L198-C201 WeakPolarHBondContact O-CB 3.49Å; L198-C201 PolarHBondContact O-N 3.28Å; V199-C201 PolarHBondContact O-N 3.26Å
202I97.2Very high97.1Very high37 Ų3751 Ų5119%0.1926%0.256CS..  trans-122.9126.8-168.1-58.2-61000110.3L142 L193 L198 G328 P329L142-I202 HydrophobicContact CD1-CD1 4.18Å; L142-I202 HydrophobicContact CD1-CG1 4.39Å; L142-I202 HydrophobicContact CD2-CD1 3.61Å; L142-I202 HydrophobicContact CG-CD1 4.5Å; L193-I202 HydrophobicContact CD1-CB 4.46Å; L193-I202 HydrophobicContact CD1-CG2 4.38Å; L193-I202 HydrophobicContact CD2-CG1 4.23Å; L198-I202 HydrophobicContact CB-CG1 4.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.21Å; L198-I202 PolarHBondContact O-N 3.27Å; I202-G328 WeakPolarHBondContact O-CA 3.47Å; I202-P329 WeakPolarHBondContact O-CD 3.36Å
203N98.2Very high97Very high48 Ų4852.3 Ų52.326%0.25726%0.261SS..  trans-91.3122.6162.1-67.2-58.1000108.5P329 D330 F331N203-P329 VanDerWaalsContact OD1-CD 3.25Å; N203-P329 WeakPolarHBondContact OD1-CD 3.19Å; N203-D330 PolarHBondContact ND2-OD2 3.42Å; N203-D330 PolarHBondContact OD1-N 3.28Å; N203-F331 HydrophobicContact CB-CD2 4.27Å; N203-F331 HydrophobicContact CB-CE2 3.8Å
204A98.1Very high97Very high13 Ų1356.6 Ų56.611%0.10728%0.281CS..EExtended strand (participates in β ladder)trans-113.7126.8177.100000110.2F189 F190 I206 A326 V327F189-A204 HydrophobicContact CE1-CB 4.11Å; F190-A204 HydrophobicContact CE1-CB 4.35Å; F190-A204 HydrophobicContact CZ-CB 3.92Å; A204-I206 HydrophobicContact CB-CD1 4.23Å; A204-A326 WeakPolarHBondContact O-CA 3.3Å; A204-V327 HydrophobicContact CB-CG2 4Å; A204-V327 PolarHBondContact N-O 2.88Å; A204-V327 PolarHBondContact O-N 3.17Å
205I98.4Very high97.1Very high50 Ų5048.7 Ų48.726%0.25625%0.253SS..EExtended strand (participates in β ladder)trans-107.3117.2171.9-60.1171.2000107.5L207 F324 L325 A326 F331 L349 I350 L353I205-L207 HydrophobicContact CG2-CD2 3.89Å; I205-L207 HydrophobicContact CG2-CG 4.36Å; I205-F324 HydrophobicContact CG2-CD2 4.14Å; I205-F324 HydrophobicContact CG2-CE2 3.64Å; I205-L325 CarbonylContact C-O 3.54Å; I205-L325 WeakPolarHBondContact CA-O 3.06Å; I205-A326 HydrophobicContact CG1-CB 4.39Å; I205-F331 HydrophobicContact CD1-CZ 4.23Å; I205-F331 HydrophobicContact CG1-CE2 4.21Å; I205-F331 HydrophobicContact CG1-CZ 3.99Å; I205-L349 HydrophobicContact CD1-CD2 3.82Å; I205-L349 HydrophobicContact CD1-CG 4.35Å; I205-I350 HydrophobicContact CD1-CG1 4.08Å; I205-L353 HydrophobicContact CD1-CD1 4.33Å
206I98.2Very high97Very high13 Ų1345.2 Ų45.27%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-105.9115.9176-57.989.4000107M1 L20 L186 F190 A204 L325 V327M1-I206 HydrophobicContact CE-CG2 3.84Å; M1-I206 HydrophobicContact SD-CG2 4.46Å; L20-I206 HydrophobicContact CD1-CD1 4.38Å; L186-I206 HydrophobicContact CD1-CG2 4.11Å; L186-I206 HydrophobicContact CD2-CG1 4.16Å; L186-I206 HydrophobicContact CD2-CG2 4.4Å; F190-I206 HydrophobicContact CE2-CD1 4.25Å; F190-I206 HydrophobicContact CZ-CD1 4.09Å; A204-I206 HydrophobicContact CB-CD1 4.23Å; I206-L325 HydrophobicContact CB-CB 4.25Å; I206-L325 HydrophobicContact CB-CD2 4.24Å; I206-L325 HydrophobicContact CB-CG 4.47Å; I206-L325 HydrophobicContact CD1-CD2 4.08Å; I206-L325 HydrophobicContact CD1-CG 4.21Å; I206-L325 PolarHBondContact N-O 2.73Å; I206-L325 PolarHBondContact O-N 3.23Å; I206-V327 HydrophobicContact CD1-CG2 4.09Å
207L98.2Very high97Very high19 Ų1946.7 Ų46.710%0.09926%0.256CS..EExtended strand (participates in β ladder)trans-142.6171.5-178.262.473.1000112.4M1 M30 I45 W107 I205 L323 F324 I346M1-L207 PolarHBondContact N-O 2.95Å; M30-L207 HydrophobicContact CE-CB 4.26Å; I45-L207 HydrophobicContact CD1-CD1 3.76Å; I45-L207 HydrophobicContact CG2-CD2 4.22Å; W107-L207 HydrophobicContact CH2-CD1 4.41Å; I205-L207 HydrophobicContact CG2-CD2 3.89Å; I205-L207 HydrophobicContact CG2-CG 4.36Å; L207-L323 CarbonylContact C-O 3Å; L207-L323 VanDerWaalsContact CA-O 3.23Å; L207-L323 WeakPolarHBondContact CA-O 3.26Å; L207-F324 HydrophobicContact CB-CD2 4.38Å; L207-I346 HydrophobicContact CD2-CD1 4.19Å; L207-I346 HydrophobicContact CD2-CG1 4.06Å; L207-I346 HydrophobicContact CD2-CG2 4.16Å
208T98.1Very high96.9Very high0 Ų042.5 Ų42.50%023%0.233CC..  trans-130.6151174.9-68.70000109.5M1 F4 M30 H210 A322 L323M1-T208 VanDerWaalsContact O-CB 3.3Å; M1-T208 WeakPolarHBondContact O-CB 3.34Å; M1-T208 WeakPolarHBondContact O-CG2 3.38Å; M1-T208 PolarHBondContact O-OG1 2.74Å; F4-T208 HydrophobicContact CB-CG2 4.09Å; F4-T208 WeakPolarHBondContact CB-OG1 3.34Å; F4-T208 WeakPolarHBondContact O-CG2 3.48Å; M30-T208 WeakPolarHBondContact CE-O 3.23Å; T208-H210 WeakPolarHBondContact CG2-O 3.48Å; T208-A322 HydrophobicContact CG2-CB 4.06Å; T208-A322 VanDerWaalsContact O-CB 3.31Å; T208-A322 WeakPolarHBondContact O-CB 3.16Å; T208-L323 PolarHBondContact N-O 3.43Å
209D97.6Very high96.9Very high2 Ų241.4 Ų41.41%0.01123%0.227CC..SBendtrans-84.4-39.1-179.958.9-32.6000113.1D2 G3 T38 N41 H42 I45D2-D209 WeakPolarHBondContact CA-OD1 3.5Å; G3-D209 PolarHBondContact N-OD1 3.09Å; T38-D209 WeakPolarHBondContact CA-OD2 3.31Å; N41-D209 HydrophobicContact CB-CB 3.8Å; H42-D209 IonicContact CE1-OD1 3.18Å; H42-D209 IonicContact CE1-OD2 2.92Å; H42-D209 PolarHBondContact CE1-OD2 3.46Å; H42-D209 IonicContact ND1-OD2 3.35Å; H42-D209 PolarHBondContact ND1-OD2 2.89Å; I45-D209 HydrophobicContact CD1-CB 4.3Å
210H97.9Very high97Very high0 Ų039.6 Ų39.60%022%0.215CC..  trans-153.6169.6175.453.272.2000113.2D2 G3 T36 T38 D161 T208 H311D2-H210 IonicContact OD1-CE1 3.54Å; D2-H210 PolarHBondContact OD1-CE1 3.25Å; D2-H210 IonicContact OD1-NE2 2.64Å; D2-H210 PolarHBondContact OD1-NE2 2.99Å; G3-H210 CarbonylContact C-O 3.55Å; G3-H210 VanDerWaalsContact CA-O 3.31Å; G3-H210 WeakPolarHBondContact CA-O 3.49Å; T36-H210 WeakPolarHBondContact O-CB 3.31Å; T36-H210 PolarHBondContact O-CD2 3.05Å; T36-H210 VanDerWaalsContact O-CG 3.3Å; T38-H210 PolarHBondContact OG1-NE2 2.82Å; D161-H210 IonicContact OD1-CE1 3.83Å; D161-H210 PolarHBondContact OD1-CE1 3.13Å; T208-H210 WeakPolarHBondContact CG2-O 3.48Å; H210-H311 AromaticContact CD2-CE1 3.94Å; H210-H311 AromaticContact CD2-ND1 3.49Å; H210-H311 PolarHBondContact CD2-ND1 3Å; H210-H311 AromaticContact CE1-CD2 3.47Å; H210-H311 PolarHBondContact CE1-CD2 2.69Å; H210-H311 VanDerWaalsContact CE1-CD2 3.47Å; H210-H311 AromaticContact CE1-CE1 3.34Å; H210-H311 PolarHBondContact CE1-CE1 3.36Å; H210-H311 AromaticContact CE1-CG 3.25Å; H210-H311 AromaticContact CE1-ND1 3.18Å; H210-H311 PolarHBondContact CE1-ND1 3.05Å; H210-H311 AromaticContact CE1-NE2 3.58Å; H210-H311 AromaticContact CG-CG 3.99Å; H210-H311 AromaticContact CG-ND1 3.75Å; H210-H311 AromaticContact ND1-CD2 3.98Å; H210-H311 AromaticContact ND1-CG 3.41Å; H210-H311 AromaticContact ND1-ND1 3.55Å; H210-H311 AromaticContact NE2-CE1 3.1Å; H210-H311 PolarHBondContact NE2-CE1 2.65Å; H210-H311 AromaticContact NE2-CG 3.68Å; H210-H311 AromaticContact NE2-ND1 3.08Å; H210-H311 PolarHBondContact NE2-ND1 3.07Å; H210-H311 AromaticContact NE2-NE2 3.77Å
211G97.6Very high97.1Very high0 Ų033 Ų330%018%0.18CC..  trans-87.2-154.6167.400000113S319 M320G211-S319 CarbonylContact C-O 3.5Å; G211-S319 WeakPolarHBondContact CA-O 3.42Å; G211-M320 PolarHBondContact N-O 3.09Å
212M98Very high97.1Very high1 Ų131.2 Ų31.21%0.00517%0.168CC..  trans-147.6131-178.2-173.564.466.500110.2R5 D161 P169 G309 D310 S319R5-M212 VanDerWaalsContact CD-O 3.27Å; R5-M212 WeakPolarHBondContact CD-O 3.18Å; D161-M212 WeakPolarHBondContact OD1-CE 3.24Å; P169-M212 HydrophobicContact CB-CB 3.93Å; P169-M212 HydrophobicContact CB-CG 3.75Å; P169-M212 WeakPolarHBondContact CB-O 3.47Å; P169-M212 HydrophobicContact CG-CG 4.4Å; M212-G309 VanDerWaalsContact SD-C 3.54Å; M212-D310 VanDerWaalsContact SD-C 3.55Å; M212-D310 PolarHBondContact SD-N 3.23Å; M212-S319 PolarHBondContact N-O 2.9Å
213Q97.9Very high97Very high36 Ų3635.4 Ų35.417%0.16819%0.187CC..EExtended strand (participates in β ladder)trans-113.9139-178.5171.158.349.300109.8V215 A292 G309 D310 Y313 S319 M320Q213-V215 PolarHBondContact O-N 2.87Å; Q213-A292 HydrophobicContact CG-CB 4.29Å; Q213-G309 CarbonylContact O-C 3.38Å; Q213-G309 WeakPolarHBondContact O-CA 3.41Å; Q213-D310 PolarHBondContact N-O 3.14Å; Q213-D310 PolarHBondContact O-N 3.26Å; Q213-Y313 HydrophobicContact CB-CD2 3.79Å; Q213-Y313 HydrophobicContact CB-CE2 3.57Å; Q213-Y313 HydrophobicContact CG-CD2 4.07Å; Q213-Y313 HydrophobicContact CG-CE2 3.66Å; Q213-S319 VanDerWaalsContact OE1-CB 3.27Å; Q213-S319 PolarHBondContact OE1-OG 3.12Å; Q213-M320 HydrophobicContact CB-CE 3.6Å
214E97.3Very high96.8Very high92 Ų9236.8 Ų36.843%0.4319%0.191SC..EExtended strand (participates in β ladder)trans-67.1131.2173.5-175.6-177.8-161.300109.1P169 T216 G293 L308P169-E214 HydrophobicContact CG-CB 4Å; E214-T216 HydrophobicContact CG-CG2 4.31Å; E214-G293 WeakPolarHBondContact O-CA 3.32Å; E214-L308 WeakPolarHBondContact CA-O 3.43Å
215V96.8Very high96.7Very high18 Ų1836.8 Ų36.811%0.10919%0.189CC..  trans-84.9116.1174.4178.50000108.7Q213 K295 V307 L308 D310Q213-V215 PolarHBondContact O-N 2.87Å; V215-K295 HydrophobicContact CG1-CB 4.15Å; V215-V307 HydrophobicContact CG2-CG2 4.02Å; V215-L308 PolarHBondContact N-O 3.28Å; V215-D310 HydrophobicContact CG2-CB 3.53Å
216T96.4Very high96.5Very high97 Ų9739.6 Ų39.660%0.59521%0.205SC*.  trans-109.3-21-175.956.70000112.7E214 G293E214-T216 HydrophobicContact CG-CG2 4.31Å; T216-G293 PolarHBondContact N-O 2.96Å; T216-G293 PolarHBondContact OG1-O 2.97Å
217Q95.7Very high96.3Very high89 Ų8939.6 Ų39.642%0.41621%0.206SC..EExtended strand (participates in β ladder)trans-149.5136-174.2-175.2173.1-0.900112.2I219 G293 V294 K295Q217-I219 HydrophobicContact CG-CG1 4.5Å; Q217-G293 PolarHBondContact N-O 3.08Å; Q217-G293 VanDerWaalsContact N-O 3.11Å; Q217-V294 HydrophobicContact CB-CG2 4.49Å; Q217-V294 CarbonylContact O-C 3.4Å; Q217-V294 WeakPolarHBondContact O-CA 3.09Å; Q217-K295 PolarHBondContact O-N 3.32Å
218D95.1Very high96.1Very high61 Ų6141.6 Ų41.633%0.32622%0.221SC..EExtended strand (participates in β ladder)trans-101140.7168.1-63.5-61.9000109.9F220 K295 W297D218-F220 HydrophobicContact CB-CE1 4.49Å; D218-F220 HydrophobicContact CB-CE2 4.13Å; D218-F220 HydrophobicContact CB-CZ 3.83Å; D218-K295 CarbonylContact C-O 3.45Å; D218-K295 WeakPolarHBondContact CA-O 3.46Å; D218-W297 PolarHBondContact OD1-NE1 3.42Å
219I95.7Very high96Very high6 Ų643 Ų433%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-123128.1172.1-64179.5000108.8Q217 P262 L263 V294 K295 W297Q217-I219 HydrophobicContact CG-CG1 4.5Å; I219-P262 HydrophobicContact CD1-CG 3.85Å; I219-L263 HydrophobicContact CD1-CD2 3.83Å; I219-L263 HydrophobicContact CD1-CG 4.46Å; I219-L263 HydrophobicContact CG2-CD2 4.14Å; I219-V294 HydrophobicContact CD1-CG1 3.48Å; I219-V294 VanDerWaalsContact CD1-CG1 3.48Å; I219-V294 HydrophobicContact CG1-CG1 3.9Å; I219-K295 PolarHBondContact N-O 2.84Å; I219-W297 PolarHBondContact O-N 3.13Å
220F95.7Very high95.9Very high20 Ų2043.6 Ų43.69%0.08824%0.239CC..EExtended strand (participates in β ladder)trans-105.8114.1179.3-55.5-72.9000110D218 S222 E223 H224 W297 D299 N300 N304D218-F220 HydrophobicContact CB-CE1 4.49Å; D218-F220 HydrophobicContact CB-CE2 4.13Å; D218-F220 HydrophobicContact CB-CZ 3.83Å; F220-S222 PolarHBondContact O-N 3.1Å; F220-E223 HydrophobicContact CB-CG 3.96Å; F220-E223 WeakPolarHBondContact CD2-OE1 3.37Å; F220-E223 WeakPolarHBondContact O-CB 3.25Å; F220-E223 PolarHBondContact O-N 2.96Å; F220-E223 VanDerWaalsContact O-N 3.08Å; F220-H224 PolarHBondContact O-CD2 3.26Å; F220-H224 VanDerWaalsContact O-CD2 3.3Å; F220-W297 HydrophobicContact CD1-CB 3.63Å; F220-W297 HydrophobicContact CD1-CG 4.24Å; F220-W297 HydrophobicContact CE1-CB 3.86Å; F220-W297 AromaticContact CE1-CD1 3.84Å; F220-W297 AromaticContact CE1-CG 3.98Å; F220-W297 HydrophobicContact CE1-CG 3.98Å; F220-D299 WeakPolarHBondContact CD1-O 3.39Å; F220-N300 HydrophobicContact CD1-CB 4.01Å; F220-N300 HydrophobicContact CD2-CB 4.35Å; F220-N300 HydrophobicContact CE1-CB 3.88Å; F220-N300 HydrophobicContact CE2-CB 4.22Å; F220-N300 HydrophobicContact CG-CB 4.26Å; F220-N300 HydrophobicContact CZ-CB 3.99Å; F220-N300 WeakPolarHBondContact CZ-OD1 3.48Å; F220-N304 HydrophobicContact CE1-CB 4.16Å; F220-N304 WeakPolarHBondContact CZ-ND2 3.27Å
221L96.1Very high95.7Very high1 Ų146 Ų461%0.00525%0.25CC..G310 helixtrans-63.6-30.4-176-63.1177.3000112.9E223 H224 I225 T227 I232 I240 L256 I288 I296 W297 R298L221-E223 PolarHBondContact O-N 3.33Å; L221-E223 VanDerWaalsContact O-N 3.17Å; L221-H224 PolarHBondContact O-N 3.34Å; L221-I225 WeakPolarHBondContact O-CG1 3.24Å; L221-I225 PolarHBondContact O-N 2.81Å; L221-T227 HydrophobicContact CB-CG2 4.18Å; L221-I232 HydrophobicContact CD1-CD1 4.09Å; L221-I232 HydrophobicContact CD1-CG2 3.91Å; L221-I240 HydrophobicContact CD1-CD1 4.23Å; L221-L256 HydrophobicContact CD2-CD1 4.39Å; L221-L256 HydrophobicContact CD2-CD2 4.13Å; L221-I288 HydrophobicContact CD1-CD1 3.6Å; L221-I288 HydrophobicContact CD2-CD1 3.84Å; L221-I288 HydrophobicContact CG-CD1 4.39Å; L221-I296 HydrophobicContact CD1-CG2 3.82Å; L221-I296 HydrophobicContact CD2-CG2 3.98Å; L221-I296 HydrophobicContact CG-CG2 3.82Å; L221-W297 WeakPolarHBondContact CG-O 3.38Å; L221-W297 PolarHBondContact N-O 3.43Å; L221-R298 PolarHBondContact N-O 2.96Å
222S95.3Very high95.5Very high52 Ų5246.9 Ų46.936%0.36425%0.254SS..G310 helixtrans-62.2-17.7175.362.50000114.4F220 H224 R298 D299F220-S222 PolarHBondContact O-N 3.1Å; S222-H224 VanDerWaalsContact C-N 3.3Å; S222-R298 WeakPolarHBondContact CB-O 3.26Å; S222-R298 PolarHBondContact N-O 3.01Å; S222-R298 PolarHBondContact OG-O 2.69Å; S222-D299 WeakPolarHBondContact OG-CB 3.25Å
223E94.9Very high95.4Very high126 Ų12646.9 Ų46.959%0.58925%0.254SS*.G310 helixtrans-81.6-12.5175.1-63.4-179.8-178.700112.4F220 L221F220-E223 HydrophobicContact CB-CG 3.96Å; F220-E223 WeakPolarHBondContact CD2-OE1 3.37Å; F220-E223 WeakPolarHBondContact O-CB 3.25Å; F220-E223 PolarHBondContact O-N 2.96Å; F220-E223 VanDerWaalsContact O-N 3.08Å; L221-E223 PolarHBondContact O-N 3.33Å; L221-E223 VanDerWaalsContact O-N 3.17Å
224H94.9Very high95.3Very high76 Ų7647.3 Ų47.335%0.35226%0.26SS..THydrogen-bonded Turntrans-118.1-32-173.9-57.6-64.1000113.3F220 L221 S222 L256F220-H224 PolarHBondContact O-CD2 3.26Å; F220-H224 VanDerWaalsContact O-CD2 3.3Å; L221-H224 PolarHBondContact O-N 3.34Å; S222-H224 VanDerWaalsContact C-N 3.3Å; H224-L256 HydrophobicContact CB-CD2 4.04Å
225I95Very high95.2Very high13 Ų1343.1 Ų43.17%0.06724%0.241CC..SBendtrans-140.5161-178.860.1165.7000112.3L221 T227 M230 V252 Q255 L256L221-I225 WeakPolarHBondContact O-CG1 3.24Å; L221-I225 PolarHBondContact O-N 2.81Å; I225-T227 HydrophobicContact CG1-CG2 4.15Å; I225-T227 PolarHBondContact O-N 3.13Å; I225-M230 HydrophobicContact CD1-CE 4.12Å; I225-M230 HydrophobicContact CD1-SD 3.96Å; I225-V252 HydrophobicContact CD1-CG1 4.02Å; I225-Q255 HydrophobicContact CG2-CB 3.58Å; I225-L256 HydrophobicContact CB-CD2 4.43Å; I225-L256 HydrophobicContact CD1-CD1 3.75Å; I225-L256 HydrophobicContact CD1-CD2 4.05Å; I225-L256 HydrophobicContact CD1-CG 3.92Å; I225-L256 HydrophobicContact CG1-CD2 4.01Å; I225-L256 HydrophobicContact CG1-CG 4.37Å; I225-L256 HydrophobicContact CG2-CD2 3.61Å; I225-L256 HydrophobicContact CG2-CG 3.78Å
226D94.3Very high95.2Very high109 Ų10942.2 Ų42.258%0.58324%0.236SC*.  trans-72.3114.7164.9-176.78.7000109.5S228 M230D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 3.2Å; D226-S228 PolarHBondContact OD1-OG 3.25Å; D226-M230 VanDerWaalsContact O-CE 3.22Å; D226-M230 WeakPolarHBondContact O-CE 3.35Å
227T94.7Very high95.2Very high13 Ų1338 Ų388%0.0821%0.21CC..  trans-90.77.8-179.559.80000112.8L221 I225 M230 I232 R298L221-T227 HydrophobicContact CB-CG2 4.18Å; I225-T227 HydrophobicContact CG1-CG2 4.15Å; I225-T227 PolarHBondContact O-N 3.13Å; T227-M230 WeakPolarHBondContact O-CB 3.44Å; T227-M230 PolarHBondContact O-N 2.83Å; T227-I232 HydrophobicContact CG2-CD1 3.58Å; T227-R298 PolarHBondContact O-NH1 3.38Å; T227-R298 PolarHBondContact O-NH2 3.35Å; T227-R298 PolarHBondContact OG1-NH2 2.84Å; T227-R298 VanDerWaalsContact OG1-NH2 3.11Å
228S94Very high95.3Very high62 Ų6233.8 Ų33.843%0.43419%0.19SC..THydrogen-bonded Turntrans-63.3137.9174.8-57.80000110.7D226 M230 M247D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 3.2Å; D226-S228 PolarHBondContact OD1-OG 3.25Å; S228-M230 PolarHBondContact O-N 3.33Å; S228-M247 WeakPolarHBondContact O-CE 3.46Å
229G94.5Very high95.4Very high29 Ų2930.9 Ų30.930%0.29918%0.175SC..THydrogen-bonded Turntrans73.67.9-177.900000114.9Q243 Q244G229-Q243 WeakPolarHBondContact O-CB 3.46Å; G229-Q243 PolarHBondContact O-N 3.32Å; G229-Q244 PolarHBondContact O-N 3.31Å; G229-Q244 VanDerWaalsContact O-N 3.16Å
230M95.1Very high95.4Very high15 Ų1530.6 Ų30.67%0.07417%0.173CC..EExtended strand (participates in β ladder)trans-114.3135.8177.4-56.6179.8-169.400111.1I225 D226 T227 S228 I232 I240 L242 M247 V252 R298I225-M230 HydrophobicContact CD1-CE 4.12Å; I225-M230 HydrophobicContact CD1-SD 3.96Å; D226-M230 VanDerWaalsContact O-CE 3.22Å; D226-M230 WeakPolarHBondContact O-CE 3.35Å; T227-M230 WeakPolarHBondContact O-CB 3.44Å; T227-M230 PolarHBondContact O-N 2.83Å; S228-M230 PolarHBondContact O-N 3.33Å; M230-I232 HydrophobicContact CB-CD1 4.32Å; M230-I232 HydrophobicContact CB-CG1 4.13Å; M230-I240 HydrophobicContact CB-CG2 4Å; M230-I240 HydrophobicContact CG-CG2 4.12Å; M230-I240 HydrophobicContact SD-CD1 4.48Å; M230-I240 HydrophobicContact SD-CG2 4.03Å; M230-L242 HydrophobicContact CG-CD2 4.12Å; M230-M247 HydrophobicContact CE-CE 4.18Å; M230-M247 HydrophobicContact CE-SD 3.67Å; M230-M247 HydrophobicContact CG-SD 3.95Å; M230-V252 HydrophobicContact CE-CG1 4.14Å; M230-V252 HydrophobicContact CE-CG2 3.61Å; M230-V252 HydrophobicContact SD-CG1 4.48Å; M230-R298 PolarHBondContact O-NH1 3.07Å
231E93.9Very high95.5Very high49 Ų4930.4 Ų30.423%0.22917%0.173CC..EExtended strand (participates in β ladder)trans-95.9123.5163-177.6173.1-169.700109.1Y62 F233 I240 M241 Q243Y62-E231 WeakPolarHBondContact CD1-OE2 3.39Å; E231-F233 HydrophobicContact CG-CE2 3.78Å; E231-F233 HydrophobicContact CG-CZ 3.84Å; E231-F233 WeakPolarHBondContact OE1-CZ 3.33Å; E231-I240 WeakPolarHBondContact O-CA 2.94Å; E231-M241 HydrophobicContact CB-CB 4.28Å; E231-M241 PolarHBondContact N-O 3.04Å; E231-M241 PolarHBondContact O-N 2.73Å; E231-Q243 HydrophobicContact CB-CG 4.03Å; E231-Q243 PolarHBondContact OE2-NE2 2.82Å
232I94.9Very high95.4Very high19 Ų1931.8 Ų31.810%0.09718%0.18CC..EExtended strand (participates in β ladder)trans-119.4122.7-171.2-62.5176.6000109L221 T227 M230 R239 I240 R298L221-I232 HydrophobicContact CD1-CD1 4.09Å; L221-I232 HydrophobicContact CD1-CG2 3.91Å; T227-I232 HydrophobicContact CG2-CD1 3.58Å; M230-I232 HydrophobicContact CB-CD1 4.32Å; M230-I232 HydrophobicContact CB-CG1 4.13Å; I232-R239 WeakPolarHBondContact CA-O 3.3Å; I232-I240 HydrophobicContact CG1-CG1 4.28Å; I232-R298 HydrophobicContact CB-CB 4.27Å; I232-R298 HydrophobicContact CD1-CB 4.49Å; I232-R298 HydrophobicContact CD1-CG 4.16Å; I232-R298 HydrophobicContact CG2-CB 4.2Å
233F95Very high95.2Very high2 Ų233.7 Ų33.71%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-97.1114.2174-60-92.7000108.7K60 E231 G238 R239 M241K60-F233 HydrophobicContact CB-CD1 4.49Å; K60-F233 HydrophobicContact CD-CD1 4.26Å; K60-F233 HydrophobicContact CD-CE1 4.48Å; K60-F233 HydrophobicContact CG-CD1 4.02Å; K60-F233 HydrophobicContact CG-CE1 4.1Å; E231-F233 HydrophobicContact CG-CE2 3.78Å; E231-F233 HydrophobicContact CG-CZ 3.84Å; E231-F233 WeakPolarHBondContact OE1-CZ 3.33Å; F233-G238 WeakPolarHBondContact O-CA 3.5Å; F233-R239 HydrophobicContact CB-CB 4.21Å; F233-R239 HydrophobicContact CD2-CB 4.3Å; F233-R239 PolarHBondContact N-O 3.27Å; F233-R239 PolarHBondContact O-N 2.87Å; F233-M241 HydrophobicContact CE2-CG 3.9Å; F233-M241 HydrophobicContact CE2-SD 3.65Å; F233-M241 HydrophobicContact CZ-SD 4.11Å
234P95Very high95Very high45 Ų4532.6 Ų32.629%0.29218%0.178SC..  trans-79156.9-17732.9-36.1000112.2I296 W297P234-I296 CarbonylContact C-O 3.58Å; P234-I296 WeakPolarHBondContact CA-O 3.29Å; P234-I296 VanDerWaalsContact CB-O 3.23Å; P234-I296 WeakPolarHBondContact CB-O 3.4Å; P234-W297 HydrophobicContact CB-CD2 4.29Å; P234-W297 HydrophobicContact CB-CE3 3.59Å; P234-W297 HydrophobicContact CB-CZ3 4.09Å; P234-W297 HydrophobicContact CG-CE3 4.15Å; P234-W297 HydrophobicContact CG-CZ3 4.28Å
235G95.7Very high94.8Very high3 Ų334.8 Ų34.83%0.03120%0.199CC..BIsolated β-bridgetrans152.4-177.4175.700000113.1V237 I296G235-V237 PolarHBondContact O-N 2.82Å; G235-I296 PolarHBondContact N-O 3.35Å; G235-I296 WeakPolarHBondContact O-CB 3.31Å; G235-I296 PolarHBondContact O-N 3.33Å
236P97.2Very high94.6Very high0 Ų037.5 Ų37.50%023%0.23CC..SBendtrans-54.3-34.9168.4-35.945.1000113.9G290 D310 H311 Y313P236-G290 WeakPolarHBondContact O-CA 3.42Å; P236-G290 PolarHBondContact O-N 3.27Å; P236-D310 HydrophobicContact CG-CB 3.91Å; P236-H311 WeakPolarHBondContact CG-O 3.1Å; P236-Y313 HydrophobicContact CB-CD1 3.8Å; P236-Y313 HydrophobicContact CB-CD2 4.1Å; P236-Y313 HydrophobicContact CB-CE1 3.56Å; P236-Y313 HydrophobicContact CB-CE2 3.85Å; P236-Y313 HydrophobicContact CB-CG 4.06Å; P236-Y313 HydrophobicContact CG-CD2 4.4Å; P236-Y313 HydrophobicContact CG-CE1 4.2Å; P236-Y313 HydrophobicContact CG-CE2 3.8Å
237V97.1Very high94.7Very high8 Ų834.6 Ų34.65%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-112.7100.8167.6178.10000107.1Y34 P35 G235 V287 I288 G312Y34-V237 HydrophobicContact CE1-CG1 4.35Å; Y34-V237 HydrophobicContact CE2-CG2 3.92Å; Y34-V237 WeakPolarHBondContact OH-CG1 3.37Å; Y34-V237 VanDerWaalsContact OH-CG2 3.3Å; Y34-V237 WeakPolarHBondContact OH-CG2 3.45Å; P35-V237 HydrophobicContact CB-CB 4.45Å; P35-V237 HydrophobicContact CB-CG2 4.17Å; G235-V237 PolarHBondContact O-N 2.82Å; V237-V287 HydrophobicContact CG1-CG1 3.68Å; V237-I288 CarbonylContact C-O 3.51Å; V237-I288 VanDerWaalsContact CA-O 3.31Å; V237-I288 WeakPolarHBondContact CA-O 3.4Å; V237-G312 VanDerWaalsContact CG2-O 3.23Å; V237-G312 WeakPolarHBondContact CG2-O 3.39Å
238G96.8Very high94.7Very high0 Ų039.6 Ų39.60%023%0.234CC..EExtended strand (participates in β ladder)trans-74147.6173.700000110.7F233 I288F233-G238 WeakPolarHBondContact O-CA 3.5Å; G238-I288 PolarHBondContact N-O 2.9Å; G238-I288 PolarHBondContact O-N 3.48Å
239R97.4Very high94.8Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-133.5140.6176.5-56.8177.5-59.8100.50.2110.5D58 K60 I232 F233 Y277 R282 I283 L286D58-R239 IonicContact OD2-CZ 2.63Å; D58-R239 IonicContact OD2-NE 3.5Å; D58-R239 PolarHBondContact OD2-NE 3.26Å; D58-R239 IonicContact OD2-NH2 3.99Å; D58-R239 PolarHBondContact OD2-NH2 3.16Å; K60-R239 PolarHBondContact O-NH2 3.24Å; I232-R239 WeakPolarHBondContact CA-O 3.3Å; F233-R239 HydrophobicContact CB-CB 4.21Å; F233-R239 HydrophobicContact CD2-CB 4.3Å; F233-R239 PolarHBondContact N-O 3.27Å; F233-R239 PolarHBondContact O-N 2.87Å; R239-Y277 VanDerWaalsContact CD-OH 3.23Å; R239-Y277 WeakPolarHBondContact CD-OH 3.41Å; R239-R282 PolarHBondContact NH1-O 2.71Å; R239-I283 WeakPolarHBondContact CB-O 3.3Å; R239-I283 VanDerWaalsContact CD-O 3.31Å; R239-I283 WeakPolarHBondContact CD-O 3.17Å; R239-I283 PolarHBondContact NH1-O 3.3Å; R239-L286 WeakPolarHBondContact CA-O 3.3Å
240I97.1Very high94.9Very high0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-118.9125.3178.4-55.1-174.2000108.8L221 M230 E231 I232 L242 V252 L256 G284 D285 L286 I288L221-I240 HydrophobicContact CD1-CD1 4.23Å; M230-I240 HydrophobicContact CB-CG2 4Å; M230-I240 HydrophobicContact CG-CG2 4.12Å; M230-I240 HydrophobicContact SD-CD1 4.48Å; M230-I240 HydrophobicContact SD-CG2 4.03Å; E231-I240 WeakPolarHBondContact O-CA 2.94Å; I232-I240 HydrophobicContact CG1-CG1 4.28Å; I240-L242 HydrophobicContact CG2-CD2 3.72Å; I240-V252 HydrophobicContact CD1-CG1 4.14Å; I240-L256 HydrophobicContact CD1-CD1 4.12Å; I240-G284 CarbonylContact O-C 3.6Å; I240-D285 PolarHBondContact O-N 3.46Å; I240-L286 HydrophobicContact CB-CB 4.22Å; I240-L286 HydrophobicContact CB-CD1 4.2Å; I240-L286 HydrophobicContact CG2-CD1 4.32Å; I240-L286 PolarHBondContact N-O 3Å; I240-L286 PolarHBondContact O-N 2.72Å; I240-I288 HydrophobicContact CD1-CD1 3.76Å; I240-I288 HydrophobicContact CG1-CD1 4.05Å
241M95.9Very high94.9Very high17 Ų1744.8 Ų44.88%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-105.9125.3164.8-62.2-175.775.800108.7Y62 E231 F233 Q243 D285Y62-M241 HydrophobicContact CD1-CE 4.06Å; Y62-M241 HydrophobicContact CD1-SD 4.14Å; E231-M241 HydrophobicContact CB-CB 4.28Å; E231-M241 PolarHBondContact N-O 3.04Å; E231-M241 PolarHBondContact O-N 2.73Å; F233-M241 HydrophobicContact CE2-CG 3.9Å; F233-M241 HydrophobicContact CE2-SD 3.65Å; F233-M241 HydrophobicContact CZ-SD 4.11Å; M241-Q243 PolarHBondContact O-N 3.32Å; M241-D285 WeakPolarHBondContact CA-OD2 3.29Å
242L95.8Very high95Very high30 Ų3042.6 Ų42.616%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-84.9112.2179.4-52.6-179.7000108.8M230 I240 M247 V252 D285 L286M230-L242 HydrophobicContact CG-CD2 4.12Å; I240-L242 HydrophobicContact CG2-CD2 3.72Å; L242-M247 HydrophobicContact CB-SD 4.48Å; L242-M247 HydrophobicContact CD1-CG 4.15Å; L242-M247 HydrophobicContact CD2-CG 4.22Å; L242-M247 HydrophobicContact CD2-SD 3.67Å; L242-M247 HydrophobicContact CG-SD 4.46Å; L242-V252 HydrophobicContact CD2-CG2 4.01Å; L242-D285 HydrophobicContact CD1-CB 4.14Å; L242-D285 HydrophobicContact CG-CB 3.93Å; L242-D285 PolarHBondContact N-OD2 3.25Å; L242-L286 HydrophobicContact CD1-CD1 4.49Å; L242-L286 HydrophobicContact CD2-CD1 4.17Å; L242-L286 HydrophobicContact CG-CD1 4.48Å
243Q91.2Very high95.1Very high92 Ų9243.2 Ų43.243%0.4324%0.237SC..  trans-93.8-26.4-178.3-63.4-68.1-9.600111.7G229 E231 M241 P245G229-Q243 WeakPolarHBondContact O-CB 3.46Å; G229-Q243 PolarHBondContact O-N 3.32Å; E231-Q243 HydrophobicContact CB-CG 4.03Å; E231-Q243 PolarHBondContact OE2-NE2 2.82Å; M241-Q243 PolarHBondContact O-N 3.32Å; Q243-P245 WeakPolarHBondContact O-CD 3.36Å
244Q90.1Very high95.1Very high103 Ų10349.9 Ų49.948%0.48127%0.268SS..SBendtrans-79.3123.5-177.8-176.6173.2-37.900112.1G229 G246 M247G229-Q244 PolarHBondContact O-N 3.31Å; G229-Q244 VanDerWaalsContact O-N 3.16Å; Q244-G246 PolarHBondContact O-N 2.89Å; Q244-M247 HydrophobicContact CB-CB 4.49Å; Q244-M247 HydrophobicContact CB-CE 4.23Å; Q244-M247 WeakPolarHBondContact O-CB 3.47Å; Q244-M247 PolarHBondContact O-N 2.89Å
245P89.8Confident95.2Very high122 Ų12252.2 Ų52.279%0.79228%0.275SS*.THydrogen-bonded Turntrans-56.7134.1175-25.134.4000112.5Q243 M247Q243-P245 WeakPolarHBondContact O-CD 3.36Å; P245-M247 VanDerWaalsContact C-N 3.33Å
246G92.2Very high95.2Very high69 Ų6952.1 Ų52.171%0.71127%0.274SS*.THydrogen-bonded Turntrans89.5-14.5177.700000115.1Q244Q244-G246 PolarHBondContact O-N 2.89Å
247M94.5Very high95.1Very high48 Ų4852.6 Ų52.624%0.23628%0.277CS..  trans-66.8136.7169.9-168.3174.7-73.900109.7S228 M230 L242 Q244 P245 V252S228-M247 WeakPolarHBondContact O-CE 3.46Å; M230-M247 HydrophobicContact CE-CE 4.18Å; M230-M247 HydrophobicContact CE-SD 3.67Å; M230-M247 HydrophobicContact CG-SD 3.95Å; L242-M247 HydrophobicContact CB-SD 4.48Å; L242-M247 HydrophobicContact CD1-CG 4.15Å; L242-M247 HydrophobicContact CD2-CG 4.22Å; L242-M247 HydrophobicContact CD2-SD 3.67Å; L242-M247 HydrophobicContact CG-SD 4.46Å; Q244-M247 HydrophobicContact CB-CB 4.49Å; Q244-M247 HydrophobicContact CB-CE 4.23Å; Q244-M247 WeakPolarHBondContact O-CB 3.47Å; Q244-M247 PolarHBondContact O-N 2.89Å; P245-M247 VanDerWaalsContact C-N 3.33Å; M247-V252 HydrophobicContact CG-CG2 4.39Å; M247-V252 HydrophobicContact SD-CG2 4.36Å
248K95.8Very high95Very high119 Ų11955 Ų5552%0.51729%0.294SS..  trans-116141.7-178.5-63.1-178.3-173.9167.20111.6E250 E251 V252K248-E250 PolarHBondContact O-N 2.89Å; K248-E251 HydrophobicContact CB-CG 4.12Å; K248-E251 PolarHBondContact O-N 2.97Å; K248-E251 VanDerWaalsContact O-N 3.15Å; K248-V252 PolarHBondContact O-N 3.28Å
249S95.9Very high94.8Very high21 Ų2159.9 Ų59.915%0.14732%0.317CS..Hα-helixtrans-60.5-33.4179.866.90000112.9E251 V252 Y253S249-E251 PolarHBondContact O-N 3.48Å; S249-V252 PolarHBondContact O-N 3.19Å; S249-Y253 WeakPolarHBondContact O-CB 3.22Å; S249-Y253 PolarHBondContact O-N 3.3Å
250E95.7Very high94.6Very high104 Ų10467.6 Ų67.649%0.48636%0.358SS..Hα-helixtrans-65.4-38178.7-65.278-178.800111.7K248 Y253 E254K248-E250 PolarHBondContact O-N 2.89Å; E250-Y253 PolarHBondContact O-N 3.38Å; E250-E254 WeakPolarHBondContact O-CG 3.29Å; E250-E254 PolarHBondContact O-N 2.61Å
251E95.5Very high94.5Very high89 Ų8969.5 Ų69.542%0.41637%0.368SS..Hα-helixtrans-67.6-40.1178.7-66.6169.9-16800111K248 S249 Q255K248-E251 HydrophobicContact CB-CG 4.12Å; K248-E251 PolarHBondContact O-N 2.97Å; K248-E251 VanDerWaalsContact O-N 3.15Å; S249-E251 PolarHBondContact O-N 3.48Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.93Å
252V96.7Very high94.6Very high3 Ų370.4 Ų70.42%0.01838%0.375CS..Hα-helixtrans-70.1-39.9175.7-176.30000111I225 M230 I240 L242 M247 K248 S249 Q255 L256 L286I225-V252 HydrophobicContact CD1-CG1 4.02Å; M230-V252 HydrophobicContact CE-CG1 4.14Å; M230-V252 HydrophobicContact CE-CG2 3.61Å; M230-V252 HydrophobicContact SD-CG1 4.48Å; I240-V252 HydrophobicContact CD1-CG1 4.14Å; L242-V252 HydrophobicContact CD2-CG2 4.01Å; M247-V252 HydrophobicContact CG-CG2 4.39Å; M247-V252 HydrophobicContact SD-CG2 4.36Å; K248-V252 PolarHBondContact O-N 3.28Å; S249-V252 PolarHBondContact O-N 3.19Å; V252-Q255 PolarHBondContact O-N 3.13Å; V252-L256 HydrophobicContact CG1-CD1 4.07Å; V252-L256 PolarHBondContact O-N 3.33Å; V252-L256 VanDerWaalsContact O-N 3.07Å; V252-L286 HydrophobicContact CB-CD1 3.97Å; V252-L286 HydrophobicContact CB-CD2 4Å; V252-L286 HydrophobicContact CG1-CD1 4.04Å; V252-L286 HydrophobicContact CG1-CD2 3.95Å
253Y97Very high94.6Very high33 Ų3369.7 Ų69.713%0.12937%0.371CS..Hα-helixtrans-59.2-46.1174.3169.3-89000111.2S249 E250 Q255 L256 S257 V265 T267 L618 N619S249-Y253 WeakPolarHBondContact O-CB 3.22Å; S249-Y253 PolarHBondContact O-N 3.3Å; E250-Y253 PolarHBondContact O-N 3.38Å; Y253-Q255 VanDerWaalsContact C-N 3.27Å; Y253-Q255 PolarHBondContact O-N 2.91Å; Y253-L256 PolarHBondContact O-N 3.49Å; Y253-S257 WeakPolarHBondContact CE1-OG 3.23Å; Y253-S257 WeakPolarHBondContact O-CA 3.4Å; Y253-S257 WeakPolarHBondContact O-CB 3.42Å; Y253-S257 PolarHBondContact O-N 3.37Å; Y253-S257 PolarHBondContact O-OG 3.49Å; Y253-V265 HydrophobicContact CD2-CB 4.1Å; Y253-V265 HydrophobicContact CD2-CG1 3.95Å; Y253-V265 HydrophobicContact CE2-CB 4.43Å; Y253-V265 WeakPolarHBondContact CE2-O 3.47Å; Y253-T267 HydrophobicContact CG-CG2 4.5Å; Y253-L618 WeakPolarHBondContact OH-CD2 3.11Å; Y253-N619 PolarHBondContact OH-N 3.21Å
254E95.7Very high94.9Very high141 Ų14167.4 Ų67.466%0.65936%0.359SS*.Hα-helixtrans-63.3-31.9179.1-76.2178.6-179.200112.7E250E250-E254 WeakPolarHBondContact O-CG 3.29Å; E250-E254 PolarHBondContact O-N 2.61Å
255Q95.5Very high95.3Very high94 Ų9462.5 Ų62.544%0.43934%0.336SS..Hα-helixtrans-75.4-38.4177.2-68.51742500113.1I225 E251 V252 Y253 Q259I225-Q255 HydrophobicContact CG2-CB 3.58Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.93Å; V252-Q255 PolarHBondContact O-N 3.13Å; Y253-Q255 VanDerWaalsContact C-N 3.27Å; Y253-Q255 PolarHBondContact O-N 2.91Å; Q255-Q259 VanDerWaalsContact O-CG 3.24Å; Q255-Q259 WeakPolarHBondContact O-CG 3.21Å; Q255-Q259 PolarHBondContact O-NE2 3.49Å; Q255-Q259 VanDerWaalsContact O-NE2 3.11Å
256L96.3Very high95.7Very high2 Ų256.7 Ų56.71%0.0130%0.298CS..Hα-helixtrans-93.3-32.6-175.6-73175.1000114.4L221 H224 I225 I240 V252 Y253 Q259 V265 I288L221-L256 HydrophobicContact CD2-CD1 4.39Å; L221-L256 HydrophobicContact CD2-CD2 4.13Å; H224-L256 HydrophobicContact CB-CD2 4.04Å; I225-L256 HydrophobicContact CB-CD2 4.43Å; I225-L256 HydrophobicContact CD1-CD1 3.75Å; I225-L256 HydrophobicContact CD1-CD2 4.05Å; I225-L256 HydrophobicContact CD1-CG 3.92Å; I225-L256 HydrophobicContact CG1-CD2 4.01Å; I225-L256 HydrophobicContact CG1-CG 4.37Å; I225-L256 HydrophobicContact CG2-CD2 3.61Å; I225-L256 HydrophobicContact CG2-CG 3.78Å; I240-L256 HydrophobicContact CD1-CD1 4.12Å; V252-L256 HydrophobicContact CG1-CD1 4.07Å; V252-L256 PolarHBondContact O-N 3.33Å; V252-L256 VanDerWaalsContact O-N 3.07Å; Y253-L256 PolarHBondContact O-N 3.49Å; L256-Q259 WeakPolarHBondContact O-CG 2.97Å; L256-V265 HydrophobicContact CB-CG2 3.76Å; L256-I288 HydrophobicContact CD1-CD1 3.98Å
257S95.9Very high95.9Very high9 Ų953.8 Ų53.86%0.06327%0.267CS..THydrogen-bonded Turntrans-68.4153.6179.9680000110.6Y253 Q259Y253-S257 WeakPolarHBondContact CE1-OG 3.23Å; Y253-S257 WeakPolarHBondContact O-CA 3.4Å; Y253-S257 WeakPolarHBondContact O-CB 3.42Å; Y253-S257 PolarHBondContact O-N 3.37Å; Y253-S257 PolarHBondContact O-OG 3.49Å; S257-Q259 PolarHBondContact O-N 3.1Å
258C95Very high95.8Very high59 Ų5955.1 Ų55.140%0.39927%0.269SS..THydrogen-bonded Turntrans60.115.4177-56.90000116.2N260 N619 C620C258-N260 PolarHBondContact O-N 2.51Å; C258-N619 VanDerWaalsContact SG-C 3.55Å; C258-C620 HydrophobicContact CB-CB 3.78Å; C258-C620 WeakPolarHBondContact CB-SG 3.44Å; C258-C620 WeakPolarHBondContact SG-CB 3.27Å; C258-C620 PolarHBondContact SG-N 3.22Å; C258-C620 CovalentContact SG-SG 2.03Å; C258-C620 PolarHBondContact SG-SG 3.49Å
259Q93.1Very high95.6Very high103 Ų10350.6 Ų50.648%0.48125%0.253SS..SBendtrans-80.714.7178.4-63.1-58.2-3900114.3Q255 L256 S257 L261Q255-Q259 VanDerWaalsContact O-CG 3.24Å; Q255-Q259 WeakPolarHBondContact O-CG 3.21Å; Q255-Q259 PolarHBondContact O-NE2 3.49Å; Q255-Q259 VanDerWaalsContact O-NE2 3.11Å; L256-Q259 WeakPolarHBondContact O-CG 2.97Å; S257-Q259 PolarHBondContact O-N 3.1Å; Q259-L261 HydrophobicContact CB-CD1 4.04Å; Q259-L261 HydrophobicContact CB-CG 3.97Å; Q259-L261 PolarHBondContact O-N 3.02Å
260N91.7Very high95.5Very high162 Ų16250 Ų5087%0.86625%0.248SC*.SBendtrans54.232.4-174.3-165.238.7000113.7C258C258-N260 PolarHBondContact O-N 2.51Å
261L95.7Very high95.6Very high39 Ų3945.1 Ų45.120%0.20423%0.225CC..  trans-89.4149.5173.5-62.4174.7000110Q259 L263Q259-L261 HydrophobicContact CB-CD1 4.04Å; Q259-L261 HydrophobicContact CB-CG 3.97Å; Q259-L261 PolarHBondContact O-N 3.02Å; L261-L263 HydrophobicContact CB-CD1 4.22Å; L261-L263 HydrophobicContact CB-CD2 4.11Å; L261-L263 HydrophobicContact CB-CG 3.73Å; L261-L263 HydrophobicContact CD1-CD2 4.17Å; L261-L263 PolarHBondContact O-N 3.28Å
262P96.6Very high95.7Very high36 Ų3640.9 Ų40.923%0.23421%0.205CC..SBendtrans-78.452.1177.733.4-35.3000111.8I219 N291 V294I219-P262 HydrophobicContact CD1-CG 3.85Å; P262-N291 WeakPolarHBondContact CA-ND2 3.33Å; P262-N291 HydrophobicContact CB-CB 4.38Å; P262-N291 VanDerWaalsContact O-CB 3.23Å; P262-N291 WeakPolarHBondContact O-CB 3.32Å; P262-N291 VanDerWaalsContact O-CG 3.26Å; P262-N291 PolarHBondContact O-N 3.12Å; P262-N291 PolarHBondContact O-ND2 3.44Å; P262-V294 HydrophobicContact CB-CG2 4Å; P262-V294 HydrophobicContact CG-CG2 3.8Å
263L97.3Very high95.7Very high15 Ų1541.2 Ų41.28%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-146.6166.6179.35975.4000110.5I219 L261 V265 I288 D289I219-L263 HydrophobicContact CD1-CD2 3.83Å; I219-L263 HydrophobicContact CD1-CG 4.46Å; I219-L263 HydrophobicContact CG2-CD2 4.14Å; L261-L263 HydrophobicContact CB-CD1 4.22Å; L261-L263 HydrophobicContact CB-CD2 4.11Å; L261-L263 HydrophobicContact CB-CG 3.73Å; L261-L263 HydrophobicContact CD1-CD2 4.17Å; L261-L263 PolarHBondContact O-N 3.28Å; L263-V265 HydrophobicContact CD1-CG2 3.68Å; L263-I288 HydrophobicContact CB-CG2 4.19Å; L263-I288 HydrophobicContact CD1-CG2 4.05Å; L263-I288 HydrophobicContact CD2-CG2 3.8Å; L263-I288 HydrophobicContact CG-CG2 4.23Å; L263-D289 CarbonylContact C-O 3.58Å; L263-D289 VanDerWaalsContact CA-O 3.27Å; L263-D289 WeakPolarHBondContact CA-O 3.37Å
264R97.9Very high95.7Very high45 Ų4539.9 Ų39.917%0.1720%0.201CC..EExtended strand (participates in β ladder)trans-124137.3170.8-62173.2-159.274.414.8108.9Y266 I288 D289 N291 N619R264-Y266 HydrophobicContact CB-CD2 4.49Å; R264-Y266 HydrophobicContact CB-CE2 3.68Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; R264-I288 CarbonylContact O-C 3.55Å; R264-I288 WeakPolarHBondContact O-CA 3.49Å; R264-D289 HydrophobicContact CB-CB 4.33Å; R264-D289 PolarHBondContact N-O 2.91Å; R264-D289 IonicContact NH1-OD2 3.74Å; R264-D289 PolarHBondContact NH1-OD2 2.88Å; R264-D289 PolarHBondContact O-N 3.2Å; R264-N291 VanDerWaalsContact CZ-OD1 3.3Å; R264-N291 PolarHBondContact NH1-OD1 3.13Å; R264-N291 PolarHBondContact NH2-OD1 3.5Å; R264-N619 HydrophobicContact CG-CB 4.44Å
265V98.3Very high95.8Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-105.8137.1176.2-170.20000108Y253 L256 L263 L286 V287 N619Y253-V265 HydrophobicContact CD2-CB 4.1Å; Y253-V265 HydrophobicContact CD2-CG1 3.95Å; Y253-V265 HydrophobicContact CE2-CB 4.43Å; Y253-V265 WeakPolarHBondContact CE2-O 3.47Å; L256-V265 HydrophobicContact CB-CG2 3.76Å; L263-V265 HydrophobicContact CD1-CG2 3.68Å; V265-L286 HydrophobicContact CG1-CD2 3.75Å; V265-V287 CarbonylContact C-O 3.53Å; V265-V287 WeakPolarHBondContact CA-O 3.47Å; V265-N619 PolarHBondContact N-OD1 3.27Å; V265-N619 PolarHBondContact O-ND2 2.87Å; V265-N619 PolarHBondContact O-OD1 2.79Å
266Y97.9Very high95.9Very high0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-133.7134.7177.3-60.8-67.8000109.6R264 D270 V271 P272 L286 V287 D289 M629R264-Y266 HydrophobicContact CB-CD2 4.49Å; R264-Y266 HydrophobicContact CB-CE2 3.68Å; R264-Y266 WeakPolarHBondContact CD-OH 3.42Å; Y266-D270 HydrophobicContact CD1-CB 3.99Å; Y266-D270 WeakPolarHBondContact CD1-O 3.16Å; Y266-V271 HydrophobicContact CG-CG2 4.48Å; Y266-P272 HydrophobicContact CE1-CG 4.47Å; Y266-L286 WeakPolarHBondContact O-CA 3.41Å; Y266-V287 PolarHBondContact N-O 3.15Å; Y266-V287 PolarHBondContact O-N 3.37Å; Y266-D289 HydrophobicContact CD2-CB 4.42Å; Y266-D289 HydrophobicContact CE2-CB 4.02Å; Y266-M629 WeakPolarHBondContact OH-CG 3.44Å
267T96Very high96Very high7 Ų729.3 Ų29.34%0.04315%0.152CC..EExtended strand (participates in β ladder)trans-72.1163.1153.875.80000108.7Y253 S269 D270 V271Y253-T267 HydrophobicContact CG-CG2 4.5Å; T267-S269 PolarHBondContact O-N 3.05Å; T267-S269 PolarHBondContact OG1-N 3.16Å; T267-S269 PolarHBondContact OG1-OG 3.39Å; T267-D270 PolarHBondContact O-N 2.9Å; T267-D270 PolarHBondContact OG1-OD2 3.4Å; T267-V271 PolarHBondContact O-N 3.34Å
268R92.5Very high96Very high76 Ų7629.1 Ų29.129%0.28715%0.15SC..THydrogen-bonded Turntrans-51.4-33.6176.1-66.4-165.3-68.3179.5-5.4113.5D270 S278 N281 G284R268-D270 VanDerWaalsContact C-N 3.28Å; R268-D270 PolarHBondContact O-N 3.08Å; R268-S278 WeakPolarHBondContact O-CB 3.38Å; R268-N281 PolarHBondContact NH1-OD1 3.1Å; R268-G284 WeakPolarHBondContact CD-O 3.41Å; R268-G284 WeakPolarHBondContact CG-O 3.21Å
269S91Very high95.9Very high25 Ų2528.9 Ų28.918%0.17515%0.149CC..THydrogen-bonded Turntrans-73.8-16.7-179.676.70000114.6T267 H563 K614T267-S269 PolarHBondContact O-N 3.05Å; T267-S269 PolarHBondContact OG1-N 3.16Å; T267-S269 PolarHBondContact OG1-OG 3.39Å; S269-H563 WeakPolarHBondContact CB-CE1 3.37Å; S269-K614 PolarHBondContact OG-NZ 3.29Å
270D94.7Very high96Very high8 Ų824.7 Ų24.74%0.04313%0.131CC..THydrogen-bonded Turntrans-106.1-10.9-169.8-66.1-47.5000113.6Y266 T267 R268 K614 L618Y266-D270 HydrophobicContact CD1-CB 3.99Å; Y266-D270 WeakPolarHBondContact CD1-O 3.16Å; T267-D270 PolarHBondContact O-N 2.9Å; T267-D270 PolarHBondContact OG1-OD2 3.4Å; R268-D270 VanDerWaalsContact C-N 3.28Å; R268-D270 PolarHBondContact O-N 3.08Å; D270-K614 WeakPolarHBondContact OD1-CE 3.27Å; D270-K614 IonicContact OD1-NZ 3.11Å; D270-K614 PolarHBondContact OD1-NZ 3.38Å; D270-K614 IonicContact OD2-NZ 2.69Å; D270-L618 HydrophobicContact CB-CD1 3.78Å; D270-L618 HydrophobicContact CB-CD2 4.42Å
271V97Very high96Very high1 Ų121 Ų211%0.00611%0.111CC..SBendtrans-58.4131.9-179-178.10000109.8Y266 T267 K273 F275 V287Y266-V271 HydrophobicContact CG-CG2 4.48Å; T267-V271 PolarHBondContact O-N 3.34Å; V271-K273 PolarHBondContact O-N 3.18Å; V271-F275 HydrophobicContact CG1-CB 4.01Å; V271-F275 HydrophobicContact CG1-CD2 3.68Å; V271-F275 HydrophobicContact CG1-CG 4.32Å; V271-V287 HydrophobicContact CG2-CG2 4.27Å
272P97.6Very high95.9Very high1 Ų119.9 Ų19.91%0.00611%0.105CC..  trans-52124.7174.9-27.834.8000111.9Y266 R274 F275 M629Y266-P272 HydrophobicContact CE1-CG 4.47Å; P272-R274 HydrophobicContact CB-CG 4.26Å; P272-R274 PolarHBondContact O-N 3.49Å; P272-R274 VanDerWaalsContact O-N 3.1Å; P272-F275 HydrophobicContact CB-CD2 4.15Å; P272-F275 HydrophobicContact CB-CE2 4.25Å; P272-F275 HydrophobicContact CB-CG 4.33Å; P272-F275 HydrophobicContact CG-CD2 4.1Å; P272-F275 HydrophobicContact CG-CE2 3.85Å; P272-F275 HydrophobicContact CG-CZ 4.34Å; P272-F275 VanDerWaalsContact O-CB 3.26Å; P272-F275 WeakPolarHBondContact O-CB 3.44Å; P272-F275 PolarHBondContact O-N 3.26Å; P272-M629 HydrophobicContact CG-CG 3.86Å; P272-M629 HydrophobicContact CG-SD 4.16Å
273K97Very high95.9Very high10 Ų1018.1 Ų18.14%0.0439%0.093CC..G310 helixtrans-61.2-27.4-170.9-63.4-64.6169.6-177.80114.8V271 F275 H276 D560 H582 A610 L640V271-K273 PolarHBondContact O-N 3.18Å; K273-F275 PolarHBondContact O-N 2.71Å; K273-F275 VanDerWaalsContact O-N 3.11Å; K273-H276 PolarHBondContact O-N 3.16Å; K273-H276 VanDerWaalsContact O-N 3.16Å; K273-D560 WeakPolarHBondContact CD-OD2 3.24Å; K273-D560 WeakPolarHBondContact CE-OD2 3.24Å; K273-D560 IonicContact NZ-OD2 3.52Å; K273-D560 PolarHBondContact NZ-OD2 2.59Å; K273-H582 WeakPolarHBondContact CE-CE1 3.11Å; K273-H582 VanDerWaalsContact CE-NE2 3.26Å; K273-H582 WeakPolarHBondContact CE-NE2 3.4Å; K273-A610 HydrophobicContact CB-CB 4.44Å; K273-L640 HydrophobicContact CB-CD1 3.86Å; K273-L640 HydrophobicContact CD-CD2 4.25Å; K273-L640 HydrophobicContact CG-CD1 3.92Å; K273-L640 HydrophobicContact CG-CD2 4.38Å
274R96.5Very high95.8Very high5 Ų517.6 Ų17.62%0.0199%0.092CC..G310 helixtrans-62.1-14.817266167.4175.7101.25114.3P272 H276 D314 Y315 M629 T631P272-R274 HydrophobicContact CB-CG 4.26Å; P272-R274 PolarHBondContact O-N 3.49Å; P272-R274 VanDerWaalsContact O-N 3.1Å; R274-H276 PolarHBondContact O-CD2 3.41Å; R274-D314 IonicContact CZ-OD1 3.81Å; R274-D314 IonicContact CZ-OD2 2.71Å; R274-D314 VanDerWaalsContact CZ-OD2 3.23Å; R274-D314 VanDerWaalsContact NH1-CG 3.25Å; R274-D314 IonicContact NH1-OD1 2.68Å; R274-D314 PolarHBondContact NH1-OD1 3Å; R274-D314 IonicContact NH1-OD2 3.58Å; R274-D314 PolarHBondContact NH1-OD2 3.14Å; R274-D314 IonicContact NH2-OD1 3.86Å; R274-D314 IonicContact NH2-OD2 3.72Å; R274-D314 PolarHBondContact NH2-OD2 3.08Å; R274-Y315 WeakPolarHBondContact CB-OH 3.37Å; R274-Y315 PolarHBondContact O-OH 2.65Å; R274-M629 PolarHBondContact NE-O 3.23Å; R274-M629 VanDerWaalsContact NE-O 3.15Å; R274-M629 PolarHBondContact NH2-SD 3.13Å; R274-T631 WeakPolarHBondContact CD-O 3.47Å
275F97.9Very high95.7Very high1 Ų118 Ų180%0.00410%0.097CC..G310 helixtrans-77.2-25.9176.6-70.7-14.8000112.5Y34 V271 P272 K273 Y277 D314 Y315 M629Y34-F275 HydrophobicContact CD1-CB 3.76Å; Y34-F275 HydrophobicContact CD1-CD1 4.45Å; Y34-F275 AromaticContact CD1-CD2 3.92Å; Y34-F275 HydrophobicContact CD1-CD2 3.92Å; Y34-F275 AromaticContact CD1-CG 3.84Å; Y34-F275 HydrophobicContact CD1-CG 3.84Å; Y34-F275 AromaticContact CD2-CD1 3.8Å; Y34-F275 HydrophobicContact CD2-CD1 3.8Å; Y34-F275 HydrophobicContact CD2-CD2 4.06Å; Y34-F275 AromaticContact CD2-CE1 3.76Å; Y34-F275 HydrophobicContact CD2-CE1 3.76Å; Y34-F275 HydrophobicContact CD2-CE2 4.09Å; Y34-F275 AromaticContact CD2-CG 3.95Å; Y34-F275 HydrophobicContact CD2-CG 3.95Å; Y34-F275 AromaticContact CD2-CZ 3.95Å; Y34-F275 HydrophobicContact CD2-CZ 3.95Å; Y34-F275 HydrophobicContact CE1-CB 4.42Å; Y34-F275 AromaticContact CE1-CD2 3.81Å; Y34-F275 HydrophobicContact CE1-CD2 3.81Å; Y34-F275 HydrophobicContact CE1-CE2 4.27Å; Y34-F275 HydrophobicContact CE1-CG 4.23Å; Y34-F275 HydrophobicContact CE2-CD1 4.39Å; Y34-F275 AromaticContact CE2-CD2 3.95Å; Y34-F275 HydrophobicContact CE2-CD2 3.95Å; Y34-F275 HydrophobicContact CE2-CE1 4.09Å; Y34-F275 AromaticContact CE2-CE2 3.69Å; Y34-F275 HydrophobicContact CE2-CE2 3.69Å; Y34-F275 HydrophobicContact CE2-CG 4.32Å; Y34-F275 AromaticContact CE2-CZ 3.77Å; Y34-F275 HydrophobicContact CE2-CZ 3.77Å; Y34-F275 HydrophobicContact CG-CB 3.86Å; Y34-F275 AromaticContact CG-CD1 3.82Å; Y34-F275 HydrophobicContact CG-CD1 3.82Å; Y34-F275 HydrophobicContact CG-CD2 4.03Å; Y34-F275 HydrophobicContact CG-CE1 4.27Å; Y34-F275 AromaticContact CG-CG 3.68Å; Y34-F275 HydrophobicContact CG-CG 3.68Å; Y34-F275 AromaticContact CZ-CD2 3.81Å; Y34-F275 AromaticContact CZ-CE2 3.78Å; V271-F275 HydrophobicContact CG1-CB 4.01Å; V271-F275 HydrophobicContact CG1-CD2 3.68Å; V271-F275 HydrophobicContact CG1-CG 4.32Å; P272-F275 HydrophobicContact CB-CD2 4.15Å; P272-F275 HydrophobicContact CB-CE2 4.25Å; P272-F275 HydrophobicContact CB-CG 4.33Å; P272-F275 HydrophobicContact CG-CD2 4.1Å; P272-F275 HydrophobicContact CG-CE2 3.85Å; P272-F275 HydrophobicContact CG-CZ 4.34Å; P272-F275 VanDerWaalsContact O-CB 3.26Å; P272-F275 WeakPolarHBondContact O-CB 3.44Å; P272-F275 PolarHBondContact O-N 3.26Å; K273-F275 PolarHBondContact O-N 2.71Å; K273-F275 VanDerWaalsContact O-N 3.11Å; F275-Y277 VanDerWaalsContact C-N 3.27Å; F275-Y277 PolarHBondContact O-N 2.93Å; F275-D314 HydrophobicContact CE1-CB 4.25Å; F275-D314 HydrophobicContact CZ-CB 4.26Å; F275-Y315 HydrophobicContact CD1-CE1 4.21Å; F275-M629 HydrophobicContact CZ-SD 4.4Å
276H97.6Very high95.7Very high12 Ų1218 Ų186%0.05610%0.097CC..  trans49.552.8-174.6-59.8-81.2000110.8Y50 E52 K273 R274 R633 D636Y50-H276 HydrophobicContact CD1-CB 3.78Å; Y50-H276 HydrophobicContact CD2-CB 3.52Å; Y50-H276 AromaticContact CD2-CD2 3.93Å; Y50-H276 AromaticContact CD2-CG 3.39Å; Y50-H276 AromaticContact CD2-ND1 3.65Å; Y50-H276 HydrophobicContact CE1-CB 4.27Å; Y50-H276 AromaticContact CE1-CD2 3.69Å; Y50-H276 HydrophobicContact CE2-CB 4.04Å; Y50-H276 AromaticContact CE2-CD2 3.48Å; Y50-H276 VanDerWaalsContact CE2-CD2 3.48Å; Y50-H276 WeakPolarHBondContact CE2-CD2 3.32Å; Y50-H276 AromaticContact CE2-CE1 3.71Å; Y50-H276 AromaticContact CE2-CG 3.39Å; Y50-H276 AromaticContact CE2-ND1 3.54Å; Y50-H276 AromaticContact CE2-NE2 3.67Å; Y50-H276 HydrophobicContact CG-CB 3.38Å; Y50-H276 AromaticContact CG-CG 3.73Å; Y50-H276 AromaticContact CZ-CD2 3.34Å; Y50-H276 AromaticContact CZ-CG 3.73Å; Y50-H276 AromaticContact CZ-NE2 3.67Å; E52-H276 VanDerWaalsContact CG-O 3.27Å; E52-H276 WeakPolarHBondContact CG-O 3.4Å; E52-H276 WeakPolarHBondContact OE1-CA 3.19Å; E52-H276 WeakPolarHBondContact OE1-CB 3.37Å; E52-H276 VanDerWaalsContact OE2-C 3.22Å; K273-H276 PolarHBondContact O-N 3.16Å; K273-H276 VanDerWaalsContact O-N 3.16Å; R274-H276 PolarHBondContact O-CD2 3.41Å; H276-R633 PolarHBondContact NE2-NH2 3.08Å; H276-D636 IonicContact CE1-OD1 3.06Å; H276-D636 PolarHBondContact CE1-OD1 3.08Å; H276-D636 VanDerWaalsContact CE1-OD1 3.24Å; H276-D636 IonicContact NE2-OD1 2.64Å; H276-D636 PolarHBondContact NE2-OD1 3.11Å
277Y97.7Very high95.7Very high1 Ų118 Ų180%0.00410%0.097CC..  trans-146.551.7-168.7-158.5-102.5000112.3Y34 P35 P51 E52 V57 R239 F275 I283 V287Y34-Y277 AromaticContact CD1-CD1 3.94Å; Y34-Y277 HydrophobicContact CD1-CD1 3.94Å; Y34-Y277 HydrophobicContact CD1-CD2 4.17Å; Y34-Y277 AromaticContact CD1-CG 3.67Å; Y34-Y277 HydrophobicContact CD1-CG 3.67Å; Y34-Y277 AromaticContact CE1-CD1 3.65Å; Y34-Y277 HydrophobicContact CE1-CD1 3.65Å; Y34-Y277 HydrophobicContact CE1-CE1 4.2Å; Y34-Y277 AromaticContact CE1-CG 3.91Å; Y34-Y277 HydrophobicContact CE1-CG 3.91Å; Y34-Y277 WeakPolarHBondContact O-CD2 3.48Å; P35-Y277 HydrophobicContact CG-CE2 4.21Å; P51-Y277 HydrophobicContact CB-CD2 4.33Å; P51-Y277 HydrophobicContact CB-CE2 4.36Å; E52-Y277 PolarHBondContact OE2-N 3.37Å; E52-Y277 VanDerWaalsContact OE2-N 3.17Å; V57-Y277 HydrophobicContact CB-CE2 3.61Å; V57-Y277 HydrophobicContact CG1-CE2 4.3Å; V57-Y277 WeakPolarHBondContact O-CE2 3.35Å; V57-Y277 PolarHBondContact O-OH 3.04Å; V57-Y277 VanDerWaalsContact O-OH 3.06Å; R239-Y277 VanDerWaalsContact CD-OH 3.23Å; R239-Y277 WeakPolarHBondContact CD-OH 3.41Å; F275-Y277 VanDerWaalsContact C-N 3.27Å; F275-Y277 PolarHBondContact O-N 2.93Å; Y277-I283 VanDerWaalsContact C-CD1 3.47Å; Y277-I283 HydrophobicContact CD1-CD1 4.06Å; Y277-I283 HydrophobicContact CD1-CG1 4.27Å; Y277-I283 HydrophobicContact CD1-CG2 3.92Å; Y277-I283 HydrophobicContact CD2-CD1 4.14Å; Y277-I283 HydrophobicContact CD2-CG1 4.41Å; Y277-I283 HydrophobicContact CE1-CB 4.24Å; Y277-I283 HydrophobicContact CE1-CD1 4.22Å; Y277-I283 HydrophobicContact CE1-CG1 3.91Å; Y277-I283 HydrophobicContact CE1-CG2 3.44Å; Y277-I283 VanDerWaalsContact CE1-CG2 3.44Å; Y277-I283 HydrophobicContact CE2-CD1 4.28Å; Y277-I283 HydrophobicContact CE2-CG1 4.04Å; Y277-I283 HydrophobicContact CG-CD1 4.02Å; Y277-V287 HydrophobicContact CD1-CG2 4.2Å; Y277-V287 HydrophobicContact CE1-CG2 4.13Å
278S96Very high95.8Very high5 Ų517.7 Ų17.74%0.03510%0.095CC..SBendtrans-135.9-20.6176.149.30000114.1E52 R268 S280 H563E52-S278 PolarHBondContact OE2-N 2.79Å; R268-S278 WeakPolarHBondContact O-CB 3.38Å; S278-S280 PolarHBondContact O-N 3.4Å; S278-H563 PolarHBondContact OG-O 2.72Å
279S94.2Very high96.1Very high54 Ų5414.2 Ų14.238%0.3788%0.082SC..SBendtrans-92.729.1-168-162.40000115.2E52 H563 D564E52-S279 VanDerWaalsContact OE2-CB 3.31Å; E52-S279 WeakPolarHBondContact OE2-CB 3.45Å; E52-S279 PolarHBondContact OE2-N 3.15Å; S279-H563 WeakPolarHBondContact CB-O 3.27Å; S279-H563 PolarHBondContact N-O 2.81Å; S279-D564 WeakPolarHBondContact OG-CA 3.27Å; S279-D564 WeakPolarHBondContact OG-CB 2.91Å
280S94.3Very high96.4Very high15 Ų1513.1 Ų13.111%0.1058%0.075CC..  trans-141.5131.6179.8-172.60000111.5S278 R282 I283S278-S280 PolarHBondContact O-N 3.4Å; S280-R282 PolarHBondContact O-N 2.86Å; S280-R282 PolarHBondContact OG-N 3.24Å; S280-I283 WeakPolarHBondContact O-CB 3.45Å; S280-I283 PolarHBondContact O-N 3.4Å
281N91.5Very high96.6Very high84 Ų8415.4 Ų15.445%0.4499%0.087SC..G310 helixtrans-62.9-23174.7-68.4-18.7000112.2R268 I283 G284R268-N281 PolarHBondContact NH1-OD1 3.1Å; N281-I283 PolarHBondContact O-N 3.4Å; N281-G284 PolarHBondContact O-N 2.83Å
282R95.1Very high96.6Very high16 Ų1617.5 Ų17.56%0.0610%0.104CC..G310 helixtrans-67.2-18.6178.7-59.2178.1-179.1175.92.2113.5G55 V57 M61 D63 K84 W85 R239 S280 G284G55-R282 VanDerWaalsContact C-NH1 3.34Å; G55-R282 VanDerWaalsContact CA-NH1 3.33Å; G55-R282 WeakPolarHBondContact O-CD 2.99Å; G55-R282 PolarHBondContact O-NH1 2.99Å; V57-R282 HydrophobicContact CG1-CB 4.29Å; V57-R282 HydrophobicContact CG2-CB 3.79Å; V57-R282 WeakPolarHBondContact CG2-O 3.43Å; M61-R282 HydrophobicContact SD-CB 4.47Å; D63-R282 HydrophobicContact CB-CG 4.08Å; D63-R282 WeakPolarHBondContact OD2-CG 3.38Å; D63-R282 IonicContact OD2-NE 3.63Å; D63-R282 PolarHBondContact OD2-NE 2.96Å; K84-R282 PolarHBondContact O-NH2 3.07Å; W85-R282 HydrophobicContact CZ3-CG 4.28Å; W85-R282 PolarHBondContact O-NH1 2.88Å; R239-R282 PolarHBondContact NH1-O 2.71Å; S280-R282 PolarHBondContact O-N 2.86Å; S280-R282 PolarHBondContact OG-N 3.24Å; R282-G284 VanDerWaalsContact C-N 3.35Å
283I96.4Very high96.6Very high0 Ų017.4 Ų17.40%010%0.104CC..G310 helixtrans-70.5-37.7178.3-65.7167.7000109.9E52 V57 R239 Y277 S280 N281 V287E52-I283 HydrophobicContact CB-CD1 4.45Å; V57-I283 HydrophobicContact CB-CG1 4.01Å; V57-I283 HydrophobicContact CG1-CG1 3.89Å; V57-I283 HydrophobicContact CG2-CG1 4.09Å; R239-I283 WeakPolarHBondContact CB-O 3.3Å; R239-I283 VanDerWaalsContact CD-O 3.31Å; R239-I283 WeakPolarHBondContact CD-O 3.17Å; R239-I283 PolarHBondContact NH1-O 3.3Å; Y277-I283 VanDerWaalsContact C-CD1 3.47Å; Y277-I283 HydrophobicContact CD1-CD1 4.06Å; Y277-I283 HydrophobicContact CD1-CG1 4.27Å; Y277-I283 HydrophobicContact CD1-CG2 3.92Å; Y277-I283 HydrophobicContact CD2-CD1 4.14Å; Y277-I283 HydrophobicContact CD2-CG1 4.41Å; Y277-I283 HydrophobicContact CE1-CB 4.24Å; Y277-I283 HydrophobicContact CE1-CD1 4.22Å; Y277-I283 HydrophobicContact CE1-CG1 3.91Å; Y277-I283 HydrophobicContact CE1-CG2 3.44Å; Y277-I283 VanDerWaalsContact CE1-CG2 3.44Å; Y277-I283 HydrophobicContact CE2-CD1 4.28Å; Y277-I283 HydrophobicContact CE2-CG1 4.04Å; Y277-I283 HydrophobicContact CG-CD1 4.02Å; S280-I283 WeakPolarHBondContact O-CB 3.45Å; S280-I283 PolarHBondContact O-N 3.4Å; N281-I283 PolarHBondContact O-N 3.4Å; I283-V287 HydrophobicContact CG2-CG2 3.51Å
284G95.1Very high96.6Very high4 Ų417.1 Ų17.14%0.04110%0.103CC..  trans95.6-176.6-168.400000113.2I240 R268 N281 R282I240-G284 CarbonylContact O-C 3.6Å; R268-G284 WeakPolarHBondContact CD-O 3.41Å; R268-G284 WeakPolarHBondContact CG-O 3.21Å; N281-G284 PolarHBondContact O-N 2.83Å; R282-G284 VanDerWaalsContact C-N 3.35Å
285D96Very high96.6Very high52 Ų5217 Ų1728%0.27810%0.103SC..SBendtrans-84.8-34.3-171.1-59.7-70.6000112.6I240 M241 L242I240-D285 PolarHBondContact O-N 3.46Å; M241-D285 WeakPolarHBondContact CA-OD2 3.29Å; L242-D285 HydrophobicContact CD1-CB 4.14Å; L242-D285 HydrophobicContact CG-CB 3.93Å; L242-D285 PolarHBondContact N-OD2 3.25Å
286L98Very high96.6Very high0 Ų017 Ų170%010%0.102CC..EExtended strand (participates in β ladder)trans-125.8142.1173.7-58.896.4000112.1R239 I240 L242 V252 V265 Y266R239-L286 WeakPolarHBondContact CA-O 3.3Å; I240-L286 HydrophobicContact CB-CB 4.22Å; I240-L286 HydrophobicContact CB-CD1 4.2Å; I240-L286 HydrophobicContact CG2-CD1 4.32Å; I240-L286 PolarHBondContact N-O 3Å; I240-L286 PolarHBondContact O-N 2.72Å; L242-L286 HydrophobicContact CD1-CD1 4.49Å; L242-L286 HydrophobicContact CD2-CD1 4.17Å; L242-L286 HydrophobicContact CG-CD1 4.48Å; V252-L286 HydrophobicContact CB-CD1 3.97Å; V252-L286 HydrophobicContact CB-CD2 4Å; V252-L286 HydrophobicContact CG1-CD1 4.04Å; V252-L286 HydrophobicContact CG1-CD2 3.95Å; V265-L286 HydrophobicContact CG1-CD2 3.75Å; Y266-L286 WeakPolarHBondContact O-CA 3.41Å
287V98.3Very high96.5Very high0 Ų016.4 Ų16.40%010%0.1CC..EExtended strand (participates in β ladder)trans-110130.7170.7-179.30000108.2V237 V265 Y266 V271 Y277 I283V237-V287 HydrophobicContact CG1-CG1 3.68Å; V265-V287 CarbonylContact C-O 3.53Å; V265-V287 WeakPolarHBondContact CA-O 3.47Å; Y266-V287 PolarHBondContact N-O 3.15Å; Y266-V287 PolarHBondContact O-N 3.37Å; V271-V287 HydrophobicContact CG2-CG2 4.27Å; Y277-V287 HydrophobicContact CD1-CG2 4.2Å; Y277-V287 HydrophobicContact CE1-CG2 4.13Å; I283-V287 HydrophobicContact CG2-CG2 3.51Å
288I98.3Very high96.4Very high1 Ų119.6 Ų19.61%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-115.5101.4177.3-52.8177.7000107.4L221 V237 G238 I240 L256 L263 R264 G290 I296L221-I288 HydrophobicContact CD1-CD1 3.6Å; L221-I288 HydrophobicContact CD2-CD1 3.84Å; L221-I288 HydrophobicContact CG-CD1 4.39Å; V237-I288 CarbonylContact C-O 3.51Å; V237-I288 VanDerWaalsContact CA-O 3.31Å; V237-I288 WeakPolarHBondContact CA-O 3.4Å; G238-I288 PolarHBondContact N-O 2.9Å; G238-I288 PolarHBondContact O-N 3.48Å; I240-I288 HydrophobicContact CD1-CD1 3.76Å; I240-I288 HydrophobicContact CG1-CD1 4.05Å; L256-I288 HydrophobicContact CD1-CD1 3.98Å; L263-I288 HydrophobicContact CB-CG2 4.19Å; L263-I288 HydrophobicContact CD1-CG2 4.05Å; L263-I288 HydrophobicContact CD2-CG2 3.8Å; L263-I288 HydrophobicContact CG-CG2 4.23Å; R264-I288 CarbonylContact O-C 3.55Å; R264-I288 WeakPolarHBondContact O-CA 3.49Å; I288-G290 PolarHBondContact O-N 3.41Å; I288-I296 HydrophobicContact CB-CD1 3.91Å; I288-I296 HydrophobicContact CG2-CD1 3.42Å; I288-I296 VanDerWaalsContact CG2-CD1 3.42Å; I288-I296 HydrophobicContact CG2-CG1 4.12Å; I288-I296 WeakPolarHBondContact O-CD1 3.45Å
289D97.9Very high96.2Very high3 Ų320.8 Ų20.82%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-85.2102.8179171.953.3000109.7L263 R264 Y266L263-D289 CarbonylContact C-O 3.58Å; L263-D289 VanDerWaalsContact CA-O 3.27Å; L263-D289 WeakPolarHBondContact CA-O 3.37Å; R264-D289 HydrophobicContact CB-CB 4.33Å; R264-D289 PolarHBondContact N-O 2.91Å; R264-D289 IonicContact NH1-OD2 3.74Å; R264-D289 PolarHBondContact NH1-OD2 2.88Å; R264-D289 PolarHBondContact O-N 3.2Å; Y266-D289 HydrophobicContact CD2-CB 4.42Å; Y266-D289 HydrophobicContact CE2-CB 4.02Å
290G98.1Very high95.9Very high2 Ų222.5 Ų22.52%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-71.3139.1174.600000111.4P236 I288P236-G290 WeakPolarHBondContact O-CA 3.42Å; P236-G290 PolarHBondContact O-N 3.27Å; I288-G290 PolarHBondContact O-N 3.41Å
291N97.6Very high95.1Very high56 Ų5629.3 Ų29.330%0.29916%0.158SC..PPolyproline II helixtrans-58.9157.1166.9-72.4-20.4000110.4P262 R264 G293 V294 Y313P262-N291 WeakPolarHBondContact CA-ND2 3.33Å; P262-N291 HydrophobicContact CB-CB 4.38Å; P262-N291 VanDerWaalsContact O-CB 3.23Å; P262-N291 WeakPolarHBondContact O-CB 3.32Å; P262-N291 VanDerWaalsContact O-CG 3.26Å; P262-N291 PolarHBondContact O-N 3.12Å; P262-N291 PolarHBondContact O-ND2 3.44Å; R264-N291 VanDerWaalsContact CZ-OD1 3.3Å; R264-N291 PolarHBondContact NH1-OD1 3.13Å; R264-N291 PolarHBondContact NH2-OD1 3.5Å; N291-G293 PolarHBondContact O-N 2.97Å; N291-G293 VanDerWaalsContact O-N 3.16Å; N291-V294 HydrophobicContact CB-CG2 4.22Å; N291-V294 VanDerWaalsContact O-CB 3.24Å; N291-V294 WeakPolarHBondContact O-CB 3.18Å; N291-V294 WeakPolarHBondContact O-CG2 3.4Å; N291-V294 PolarHBondContact O-N 3.28Å; N291-Y313 VanDerWaalsContact O-CE1 3.25Å; N291-Y313 WeakPolarHBondContact O-CE1 3.48Å
292A97.6Very high93.9Very high45 Ų4529.8 Ų29.837%0.37217%0.168SC..THydrogen-bonded Turntrans-49.4124.8178.400000111.6Q213 V317Q213-A292 HydrophobicContact CG-CB 4.29Å; A292-V317 HydrophobicContact CB-CG1 3.82Å; A292-V317 HydrophobicContact CB-CG2 4.32Å
293G97.6Very high92.7Very high0 Ų030.7 Ų30.70%018%0.177CC..THydrogen-bonded Turntrans89.1-5.9-178.200000115.5E214 T216 Q217 N291 Y313E214-G293 WeakPolarHBondContact O-CA 3.32Å; T216-G293 PolarHBondContact N-O 2.96Å; T216-G293 PolarHBondContact OG1-O 2.97Å; Q217-G293 PolarHBondContact N-O 3.08Å; Q217-G293 VanDerWaalsContact N-O 3.11Å; N291-G293 PolarHBondContact O-N 2.97Å; N291-G293 VanDerWaalsContact O-N 3.16Å; G293-Y313 WeakPolarHBondContact CA-OH 3.37Å; G293-Y313 PolarHBondContact N-OH 3.43Å
294V98Very high91.8Very high3 Ų333.1 Ų33.12%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-86.4136.1172.31780000109.9Q217 I219 P262 N291 I296 Y313Q217-V294 HydrophobicContact CB-CG2 4.49Å; Q217-V294 CarbonylContact O-C 3.4Å; Q217-V294 WeakPolarHBondContact O-CA 3.09Å; I219-V294 HydrophobicContact CD1-CG1 3.48Å; I219-V294 VanDerWaalsContact CD1-CG1 3.48Å; I219-V294 HydrophobicContact CG1-CG1 3.9Å; P262-V294 HydrophobicContact CB-CG2 4Å; P262-V294 HydrophobicContact CG-CG2 3.8Å; N291-V294 HydrophobicContact CB-CG2 4.22Å; N291-V294 VanDerWaalsContact O-CB 3.24Å; N291-V294 WeakPolarHBondContact O-CB 3.18Å; N291-V294 WeakPolarHBondContact O-CG2 3.4Å; N291-V294 PolarHBondContact O-N 3.28Å; V294-I296 HydrophobicContact CG1-CG1 4.47Å; V294-Y313 WeakPolarHBondContact O-CE1 3.38Å; V294-Y313 PolarHBondContact O-OH 2.88Å
295K96.5Very high91.1Very high3 Ų339.7 Ų39.71%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-122.6130.1169.9-170167-178.5164.80110.1V215 Q217 D218 I219 W297 V307 D310V215-K295 HydrophobicContact CG1-CB 4.15Å; Q217-K295 PolarHBondContact O-N 3.32Å; D218-K295 CarbonylContact C-O 3.45Å; D218-K295 WeakPolarHBondContact CA-O 3.46Å; I219-K295 PolarHBondContact N-O 2.84Å; K295-W297 HydrophobicContact CD-CH2 4.2Å; K295-W297 HydrophobicContact CD-CZ2 3.47Å; K295-W297 VanDerWaalsContact CD-CZ2 3.47Å; K295-W297 VanDerWaalsContact CE-CH2 3.43Å; K295-W297 HydrophobicContact CG-CZ2 4.07Å; K295-V307 HydrophobicContact CD-CG2 3.89Å; K295-V307 VanDerWaalsContact NZ-CG2 3.29Å; K295-D310 WeakPolarHBondContact CD-OD2 3.48Å; K295-D310 WeakPolarHBondContact CE-OD2 3.37Å; K295-D310 IonicContact NZ-OD2 2.6Å; K295-D310 PolarHBondContact NZ-OD2 3.23Å
296I96.5Very high90.6Very high0 Ų045.7 Ų45.70%024%0.238CC..EExtended strand (participates in β ladder)trans-98.4132-176-61.8143.1000109.1L221 P234 G235 I288 V294L221-I296 HydrophobicContact CD1-CG2 3.82Å; L221-I296 HydrophobicContact CD2-CG2 3.98Å; L221-I296 HydrophobicContact CG-CG2 3.82Å; P234-I296 CarbonylContact C-O 3.58Å; P234-I296 WeakPolarHBondContact CA-O 3.29Å; P234-I296 VanDerWaalsContact CB-O 3.23Å; P234-I296 WeakPolarHBondContact CB-O 3.4Å; G235-I296 PolarHBondContact N-O 3.35Å; G235-I296 WeakPolarHBondContact O-CB 3.31Å; G235-I296 PolarHBondContact O-N 3.33Å; I288-I296 HydrophobicContact CB-CD1 3.91Å; I288-I296 HydrophobicContact CG2-CD1 3.42Å; I288-I296 VanDerWaalsContact CG2-CD1 3.42Å; I288-I296 HydrophobicContact CG2-CG1 4.12Å; I288-I296 WeakPolarHBondContact O-CD1 3.45Å; V294-I296 HydrophobicContact CG1-CG1 4.47Å
297W95.8Very high90.3Very high1 Ų146.5 Ų46.50%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-127.3159.5179.1-59.598.7000110.6D218 I219 F220 L221 P234 K295 S303 N304 Y305D218-W297 PolarHBondContact OD1-NE1 3.42Å; I219-W297 PolarHBondContact O-N 3.13Å; F220-W297 HydrophobicContact CD1-CB 3.63Å; F220-W297 HydrophobicContact CD1-CG 4.24Å; F220-W297 HydrophobicContact CE1-CB 3.86Å; F220-W297 AromaticContact CE1-CD1 3.84Å; F220-W297 AromaticContact CE1-CG 3.98Å; F220-W297 HydrophobicContact CE1-CG 3.98Å; L221-W297 WeakPolarHBondContact CG-O 3.38Å; L221-W297 PolarHBondContact N-O 3.43Å; P234-W297 HydrophobicContact CB-CD2 4.29Å; P234-W297 HydrophobicContact CB-CE3 3.59Å; P234-W297 HydrophobicContact CB-CZ3 4.09Å; P234-W297 HydrophobicContact CG-CE3 4.15Å; P234-W297 HydrophobicContact CG-CZ3 4.28Å; K295-W297 HydrophobicContact CD-CH2 4.2Å; K295-W297 HydrophobicContact CD-CZ2 3.47Å; K295-W297 VanDerWaalsContact CD-CZ2 3.47Å; K295-W297 VanDerWaalsContact CE-CH2 3.43Å; K295-W297 HydrophobicContact CG-CZ2 4.07Å; W297-S303 WeakPolarHBondContact CZ3-O 3.41Å; W297-N304 HydrophobicContact CD2-CB 4.35Å; W297-Y305 AromaticContact CH2-CD1 3.52Å; W297-Y305 HydrophobicContact CH2-CD1 3.52Å; W297-Y305 AromaticContact CH2-CE1 3.49Å; W297-Y305 HydrophobicContact CH2-CE1 3.49Å; W297-Y305 VanDerWaalsContact CH2-CE1 3.49Å; W297-Y305 HydrophobicContact CH2-CG 4.06Å; W297-Y305 VanDerWaalsContact CH2-N 3.35Å; W297-Y305 WeakPolarHBondContact CZ2-O 3.33Å; W297-Y305 AromaticContact CZ3-CD1 3.88Å; W297-Y305 HydrophobicContact CZ3-CD1 3.88Å; W297-Y305 AromaticContact CZ3-CE1 3.77Å; W297-Y305 HydrophobicContact CZ3-CE1 3.77Å
298R94.9Very high90.1Very high68 Ų6849.9 Ų49.926%0.25726%0.261SS..SBendtrans-65.8-58.2170177.1-178.5-177.191.19110.3L221 S222 T227 M230 I232L221-R298 PolarHBondContact N-O 2.96Å; S222-R298 WeakPolarHBondContact CB-O 3.26Å; S222-R298 PolarHBondContact N-O 3.01Å; S222-R298 PolarHBondContact OG-O 2.69Å; T227-R298 PolarHBondContact O-NH1 3.38Å; T227-R298 PolarHBondContact O-NH2 3.35Å; T227-R298 PolarHBondContact OG1-NH2 2.84Å; T227-R298 VanDerWaalsContact OG1-NH2 3.11Å; M230-R298 PolarHBondContact O-NH1 3.07Å; I232-R298 HydrophobicContact CB-CB 4.27Å; I232-R298 HydrophobicContact CD1-CB 4.49Å; I232-R298 HydrophobicContact CD1-CG 4.16Å; I232-R298 HydrophobicContact CG2-CB 4.2Å
299D92.3Very high90.1Very high30 Ų3049.9 Ų49.916%0.1626%0.26CS..  trans-152.7166.1-173.756.959.1000110.5F220 S222 D301 S302 S303F220-D299 WeakPolarHBondContact CD1-O 3.39Å; S222-D299 WeakPolarHBondContact OG-CB 3.25Å; D299-D301 PolarHBondContact OD1-N 3.08Å; D299-S302 VanDerWaalsContact CG-OG 3.26Å; D299-S302 WeakPolarHBondContact OD1-CB 3.26Å; D299-S302 PolarHBondContact OD1-N 3.15Å; D299-S302 PolarHBondContact OD1-OG 3.33Å; D299-S302 PolarHBondContact OD2-OG 3.15Å; D299-S302 VanDerWaalsContact OD2-OG 3.08Å; D299-S303 PolarHBondContact O-OG 2.88Å
300N87.6Confident90Very high89 Ų8949.9 Ų49.948%0.47626%0.261SS..THydrogen-bonded Turntrans-78.6-20.8-176.3-165.220.3000113.5F220 N304F220-N300 HydrophobicContact CD1-CB 4.01Å; F220-N300 HydrophobicContact CD2-CB 4.35Å; F220-N300 HydrophobicContact CE1-CB 3.88Å; F220-N300 HydrophobicContact CE2-CB 4.22Å; F220-N300 HydrophobicContact CG-CB 4.26Å; F220-N300 HydrophobicContact CZ-CB 3.99Å; F220-N300 WeakPolarHBondContact CZ-OD1 3.48Å; N300-N304 PolarHBondContact OD1-ND2 2.77Å
301D78.3Confident90Very high159 Ų15949.9 Ų49.985%0.8526%0.26SS*.THydrogen-bonded Turntrans-97.6-33.2-165.8-69-26.9000114.2D299D299-D301 PolarHBondContact OD1-N 3.08Å
302S66.3Low90Very high94 Ų9447.2 Ų47.266%0.65725%0.246SC*.THydrogen-bonded Turntrans-111.2-21.3-166.873.50000115.2D299D299-S302 VanDerWaalsContact CG-OG 3.26Å; D299-S302 WeakPolarHBondContact OD1-CB 3.26Å; D299-S302 PolarHBondContact OD1-N 3.15Å; D299-S302 PolarHBondContact OD1-OG 3.33Å; D299-S302 PolarHBondContact OD2-OG 3.15Å; D299-S302 VanDerWaalsContact OD2-OG 3.08Å
303S68.7Low90.1Very high35 Ų3545.1 Ų45.125%0.24523%0.228CC..THydrogen-bonded Turntrans-127.4-22.3-167.964.90000115.1W297 D299W297-S303 WeakPolarHBondContact CZ3-O 3.41Å; D299-S303 PolarHBondContact O-OG 2.88Å
304N78.2Confident90.1Very high51 Ų5145.8 Ų45.827%0.27323%0.232SC..  trans-67.6131.9-178.6174.9-24.6000111.8F220 W297 N300F220-N304 HydrophobicContact CE1-CB 4.16Å; F220-N304 WeakPolarHBondContact CZ-ND2 3.27Å; W297-N304 HydrophobicContact CD2-CB 4.35Å; N300-N304 PolarHBondContact OD1-ND2 2.77Å
305Y81.4Confident90.1Very high141 Ų14145.7 Ų45.755%0.55323%0.231SC*.  trans-134.5141.6157.259.1-83.7000109.7W297 V307W297-Y305 AromaticContact CH2-CD1 3.52Å; W297-Y305 HydrophobicContact CH2-CD1 3.52Å; W297-Y305 AromaticContact CH2-CE1 3.49Å; W297-Y305 HydrophobicContact CH2-CE1 3.49Å; W297-Y305 VanDerWaalsContact CH2-CE1 3.49Å; W297-Y305 HydrophobicContact CH2-CG 4.06Å; W297-Y305 VanDerWaalsContact CH2-N 3.35Å; W297-Y305 WeakPolarHBondContact CZ2-O 3.33Å; W297-Y305 AromaticContact CZ3-CD1 3.88Å; W297-Y305 HydrophobicContact CZ3-CD1 3.88Å; W297-Y305 AromaticContact CZ3-CE1 3.77Å; W297-Y305 HydrophobicContact CZ3-CE1 3.77Å; Y305-V307 HydrophobicContact CD2-CG1 3.64Å; Y305-V307 HydrophobicContact CE2-CG1 3.32Å; Y305-V307 PolarHBondContact O-N 2.78Å
306K85Confident90Very high178 Ų17846.8 Ų46.877%0.77424%0.236SC*.  trans-69.7120.9-179.5-169.3172-174.9176.20110.6
307V91.2Very high90.1Very high18 Ų1848.6 Ų48.611%0.10925%0.247CC..  trans-119.2145.9165.2-69.30000108.6V215 K295 Y305 D310V215-V307 HydrophobicContact CG2-CG2 4.02Å; K295-V307 HydrophobicContact CD-CG2 3.89Å; K295-V307 VanDerWaalsContact NZ-CG2 3.29Å; Y305-V307 HydrophobicContact CD2-CG1 3.64Å; Y305-V307 HydrophobicContact CE2-CG1 3.32Å; Y305-V307 PolarHBondContact O-N 2.78Å; V307-D310 HydrophobicContact CG2-CB 4.48Å
308L95.3Very high90.1Very high71 Ų7154.6 Ų54.637%0.37228%0.275SS..SBendtrans-96.5-24.7177.4-62.3-172.9000111.9H165 H166 E214 V215H165-L308 PolarHBondContact O-N 2.76Å; H166-L308 WeakPolarHBondContact O-CD1 3.43Å; E214-L308 WeakPolarHBondContact CA-O 3.43Å; V215-L308 PolarHBondContact N-O 3.28Å
309G96.9Very high90.2Very high0 Ų052 Ų520%027%0.267CS..EExtended strand (participates in β ladder)trans-127.2149.7169.800000111.3G164 H165 M212 Q213G164-G309 WeakPolarHBondContact O-CA 2.93Å; G164-G309 PolarHBondContact O-N 3.37Å; H165-G309 WeakPolarHBondContact CA-O 3.42Å; H165-G309 PolarHBondContact ND1-O 3.24Å; H165-G309 PolarHBondContact O-N 3.03Å; M212-G309 VanDerWaalsContact SD-C 3.54Å; Q213-G309 CarbonylContact O-C 3.38Å; Q213-G309 WeakPolarHBondContact O-CA 3.41Å
310D97.1Very high90.5Very high4 Ų450.5 Ų50.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-149.6170.1169.1-149.8-28.2000110.3K37 H165 M212 Q213 V215 P236 K295 V307K37-D310 IonicContact NZ-OD1 3.62Å; K37-D310 PolarHBondContact NZ-OD1 2.83Å; H165-D310 IonicContact CE1-OD1 2.86Å; H165-D310 PolarHBondContact CE1-OD1 2.56Å; M212-D310 VanDerWaalsContact SD-C 3.55Å; M212-D310 PolarHBondContact SD-N 3.23Å; Q213-D310 PolarHBondContact N-O 3.14Å; Q213-D310 PolarHBondContact O-N 3.26Å; V215-D310 HydrophobicContact CG2-CB 3.53Å; P236-D310 HydrophobicContact CG-CB 3.91Å; K295-D310 WeakPolarHBondContact CD-OD2 3.48Å; K295-D310 WeakPolarHBondContact CE-OD2 3.37Å; K295-D310 IonicContact NZ-OD2 2.6Å; K295-D310 PolarHBondContact NZ-OD2 3.23Å; V307-D310 HydrophobicContact CG2-CB 4.48Å
311H98Very high91Very high2 Ų247.9 Ų47.91%0.00924%0.243CC..  trans-145.2165.1-178.162.188.8000109T36 K37 T38 D161 H165 H210 P236 M320T36-H311 PolarHBondContact O-ND1 3.3Å; K37-H311 WeakPolarHBondContact CD-O 3.47Å; K37-H311 WeakPolarHBondContact CE-O 3.46Å; K37-H311 PolarHBondContact NZ-O 3.1Å; T38-H311 PolarHBondContact OG1-CE1 3.22Å; D161-H311 IonicContact OD1-CD2 2.8Å; D161-H311 PolarHBondContact OD1-CD2 3.12Å; D161-H311 IonicContact OD1-NE2 3.58Å; H165-H311 AromaticContact CE1-CD2 3.41Å; H165-H311 PolarHBondContact CE1-CD2 2.74Å; H165-H311 VanDerWaalsContact CE1-CD2 3.41Å; H165-H311 AromaticContact CE1-NE2 3.52Å; H165-H311 AromaticContact NE2-CD2 3.42Å; H165-H311 PolarHBondContact NE2-CD2 3.49Å; H165-H311 AromaticContact NE2-NE2 3.16Å; H165-H311 PolarHBondContact NE2-NE2 3.24Å; H165-H311 VanDerWaalsContact NE2-NE2 3.16Å; H210-H311 AromaticContact CD2-CE1 3.94Å; H210-H311 AromaticContact CD2-ND1 3.49Å; H210-H311 PolarHBondContact CD2-ND1 3Å; H210-H311 AromaticContact CE1-CD2 3.47Å; H210-H311 PolarHBondContact CE1-CD2 2.69Å; H210-H311 VanDerWaalsContact CE1-CD2 3.47Å; H210-H311 AromaticContact CE1-CE1 3.34Å; H210-H311 PolarHBondContact CE1-CE1 3.36Å; H210-H311 AromaticContact CE1-CG 3.25Å; H210-H311 AromaticContact CE1-ND1 3.18Å; H210-H311 PolarHBondContact CE1-ND1 3.05Å; H210-H311 AromaticContact CE1-NE2 3.58Å; H210-H311 AromaticContact CG-CG 3.99Å; H210-H311 AromaticContact CG-ND1 3.75Å; H210-H311 AromaticContact ND1-CD2 3.98Å; H210-H311 AromaticContact ND1-CG 3.41Å; H210-H311 AromaticContact ND1-ND1 3.55Å; H210-H311 AromaticContact NE2-CE1 3.1Å; H210-H311 PolarHBondContact NE2-CE1 2.65Å; H210-H311 AromaticContact NE2-CG 3.68Å; H210-H311 AromaticContact NE2-ND1 3.08Å; H210-H311 PolarHBondContact NE2-ND1 3.07Å; H210-H311 AromaticContact NE2-NE2 3.77Å; P236-H311 WeakPolarHBondContact CG-O 3.1Å; H311-M320 HydrophobicContact CB-CE 4.1Å; H311-M320 HydrophobicContact CB-SD 3.93Å
312G97.8Very high91.9Very high0 Ų040.3 Ų40.30%020%0.202CC..  trans124.5-16.2-170.500000113.2P35 T36 V237P35-G312 VanDerWaalsContact CB-O 3.3Å; P35-G312 WeakPolarHBondContact CB-O 3.15Å; T36-G312 PolarHBondContact N-O 3.29Å; T36-G312 PolarHBondContact O-N 2.98Å; T36-G312 VanDerWaalsContact O-N 3.17Å; T36-G312 WeakPolarHBondContact OG1-CA 3.37Å; T36-G312 PolarHBondContact OG1-N 3.21Å; V237-G312 VanDerWaalsContact CG2-O 3.23Å; V237-G312 WeakPolarHBondContact CG2-O 3.39Å
313Y98.3Very high93.4Very high1 Ų136.1 Ų36.10%0.00417%0.172CC..SBendtrans-57167.6175-55.7-79000112.7T36 Q213 P236 N291 G293 V294 Y315 M320T36-Y313 WeakPolarHBondContact CG2-O 3.32Å; T36-Y313 PolarHBondContact OG1-N 3.32Å; T36-Y313 PolarHBondContact OG1-O 2.82Å; Q213-Y313 HydrophobicContact CB-CD2 3.79Å; Q213-Y313 HydrophobicContact CB-CE2 3.57Å; Q213-Y313 HydrophobicContact CG-CD2 4.07Å; Q213-Y313 HydrophobicContact CG-CE2 3.66Å; P236-Y313 HydrophobicContact CB-CD1 3.8Å; P236-Y313 HydrophobicContact CB-CD2 4.1Å; P236-Y313 HydrophobicContact CB-CE1 3.56Å; P236-Y313 HydrophobicContact CB-CE2 3.85Å; P236-Y313 HydrophobicContact CB-CG 4.06Å; P236-Y313 HydrophobicContact CG-CD2 4.4Å; P236-Y313 HydrophobicContact CG-CE1 4.2Å; P236-Y313 HydrophobicContact CG-CE2 3.8Å; N291-Y313 VanDerWaalsContact O-CE1 3.25Å; N291-Y313 WeakPolarHBondContact O-CE1 3.48Å; G293-Y313 WeakPolarHBondContact CA-OH 3.37Å; G293-Y313 PolarHBondContact N-OH 3.43Å; V294-Y313 WeakPolarHBondContact O-CE1 3.38Å; V294-Y313 PolarHBondContact O-OH 2.88Å; Y313-Y315 PolarHBondContact O-N 2.7Å; Y313-M320 HydrophobicContact CD2-CE 3.99Å; Y313-M320 HydrophobicContact CD2-SD 4.1Å
314D97.7Very high94.8Very high14 Ų1434.5 Ų34.58%0.07516%0.161CC..  trans-46.8128.1169.9-176.3-7.9000111.7R274 F275 K316 V317R274-D314 IonicContact CZ-OD1 3.81Å; R274-D314 IonicContact CZ-OD2 2.71Å; R274-D314 VanDerWaalsContact CZ-OD2 3.23Å; R274-D314 VanDerWaalsContact NH1-CG 3.25Å; R274-D314 IonicContact NH1-OD1 2.68Å; R274-D314 PolarHBondContact NH1-OD1 3Å; R274-D314 IonicContact NH1-OD2 3.58Å; R274-D314 PolarHBondContact NH1-OD2 3.14Å; R274-D314 IonicContact NH2-OD1 3.86Å; R274-D314 IonicContact NH2-OD2 3.72Å; R274-D314 PolarHBondContact NH2-OD2 3.08Å; F275-D314 HydrophobicContact CE1-CB 4.25Å; F275-D314 HydrophobicContact CZ-CB 4.26Å; D314-K316 PolarHBondContact O-N 3.41Å; D314-K316 PolarHBondContact OD1-N 2.86Å; D314-V317 HydrophobicContact CB-CG2 4.22Å; D314-V317 VanDerWaalsContact O-CB 3.29Å; D314-V317 WeakPolarHBondContact O-CB 3.37Å; D314-V317 WeakPolarHBondContact O-CG2 3.38Å; D314-V317 PolarHBondContact O-N 3.41Å
315Y97.5Very high95.8Very high1 Ų132 Ų320%0.00415%0.148CC..THydrogen-bonded Turntrans-60.4-17.9179.256.4-107.9000113.1Y31 G32 R274 F275 Y313 V317 I661Y31-Y315 AromaticContact CD1-CD2 3.82Å; Y31-Y315 HydrophobicContact CD1-CD2 3.82Å; Y31-Y315 VanDerWaalsContact CD1-O 3.24Å; Y31-Y315 WeakPolarHBondContact CD1-O 3.45Å; Y31-Y315 HydrophobicContact CE1-CD2 4.43Å; Y31-Y315 HydrophobicContact CG-CD2 4.16Å; G32-Y315 WeakPolarHBondContact O-CD1 3.4Å; R274-Y315 WeakPolarHBondContact CB-OH 3.37Å; R274-Y315 PolarHBondContact O-OH 2.65Å; F275-Y315 HydrophobicContact CD1-CE1 4.21Å; Y313-Y315 PolarHBondContact O-N 2.7Å; Y315-V317 VanDerWaalsContact C-N 3.27Å; Y315-V317 PolarHBondContact O-N 3.28Å; Y315-I661 HydrophobicContact CE2-CD1 3.88Å; Y315-I661 HydrophobicContact CE2-CG2 4.25Å
316K96.2Very high96.6Very high25 Ų2525.3 Ų25.311%0.10912%0.121CC..THydrogen-bonded Turntrans-70.4-21171.8-71.6-172.9-178.5-177.30113.8D314 Q318 T631 I661 N662D314-K316 PolarHBondContact O-N 3.41Å; D314-K316 PolarHBondContact OD1-N 2.86Å; K316-Q318 PolarHBondContact O-N 2.88Å; K316-T631 PolarHBondContact NZ-OG1 3.48Å; K316-I661 HydrophobicContact CD-CG2 4.33Å; K316-I661 HydrophobicContact CG-CG2 4.09Å; K316-N662 VanDerWaalsContact CE-O 3.24Å; K316-N662 WeakPolarHBondContact CE-O 3.49Å; K316-N662 PolarHBondContact NZ-O 3.26Å
317V96.9Very high97.2Very high38 Ų3817.3 Ų17.323%0.239%0.087CC..SBendtrans-62127.4175.9179.70000108.4A292 D314 Y315 S319 M320A292-V317 HydrophobicContact CB-CG1 3.82Å; A292-V317 HydrophobicContact CB-CG2 4.32Å; D314-V317 HydrophobicContact CB-CG2 4.22Å; D314-V317 VanDerWaalsContact O-CB 3.29Å; D314-V317 WeakPolarHBondContact O-CB 3.37Å; D314-V317 WeakPolarHBondContact O-CG2 3.38Å; D314-V317 PolarHBondContact O-N 3.41Å; Y315-V317 VanDerWaalsContact C-N 3.27Å; Y315-V317 PolarHBondContact O-N 3.28Å; V317-S319 VanDerWaalsContact CG1-OG 3.23Å; V317-S319 WeakPolarHBondContact CG1-OG 3.35Å; V317-S319 PolarHBondContact O-N 2.88Å; V317-S319 VanDerWaalsContact O-N 3.13Å; V317-M320 HydrophobicContact CB-CG 4.15Å; V317-M320 WeakPolarHBondContact O-CB 3.34Å; V317-M320 PolarHBondContact O-N 3.36Å
318Q96.7Very high97.5Very high127 Ų12717.8 Ų17.859%0.59310%0.096SC*.G310 helixtrans-56.1-36.2-174.3-178174.159.200112.9K316 M320 R321K316-Q318 PolarHBondContact O-N 2.88Å; Q318-M320 PolarHBondContact O-N 2.78Å; Q318-R321 WeakPolarHBondContact O-CB 3.16Å; Q318-R321 VanDerWaalsContact O-CG 3.31Å; Q318-R321 WeakPolarHBondContact O-CG 3.1Å; Q318-R321 PolarHBondContact O-N 3.48Å
319S97.6Very high97.5Very high13 Ų1317.4 Ų17.49%0.09110%0.098CC..G310 helixtrans-70.7-11.8178.658.20000114R5 G211 M212 Q213 V317R5-S319 WeakPolarHBondContact CD-O 3.48Å; R5-S319 WeakPolarHBondContact CG-O 3.5Å; G211-S319 CarbonylContact C-O 3.5Å; G211-S319 WeakPolarHBondContact CA-O 3.42Å; M212-S319 PolarHBondContact N-O 2.9Å; Q213-S319 VanDerWaalsContact OE1-CB 3.27Å; Q213-S319 PolarHBondContact OE1-OG 3.12Å; V317-S319 VanDerWaalsContact CG1-OG 3.23Å; V317-S319 WeakPolarHBondContact CG1-OG 3.35Å; V317-S319 PolarHBondContact O-N 2.88Å; V317-S319 VanDerWaalsContact O-N 3.13Å
320M98.3Very high97.6Very high0 Ų020.3 Ų20.30%011%0.113CC..G310 helixtrans-91.3-3.9174.7-66.9-61.6100.400113.6T36 G211 Q213 H311 Y313 V317 Q318 A322T36-M320 HydrophobicContact CG2-CB 4.23Å; T36-M320 HydrophobicContact CG2-CG 4.45Å; T36-M320 PolarHBondContact OG1-SD 3.29Å; G211-M320 PolarHBondContact N-O 3.09Å; Q213-M320 HydrophobicContact CB-CE 3.6Å; H311-M320 HydrophobicContact CB-CE 4.1Å; H311-M320 HydrophobicContact CB-SD 3.93Å; Y313-M320 HydrophobicContact CD2-CE 3.99Å; Y313-M320 HydrophobicContact CD2-SD 4.1Å; V317-M320 HydrophobicContact CB-CG 4.15Å; V317-M320 WeakPolarHBondContact O-CB 3.34Å; V317-M320 PolarHBondContact O-N 3.36Å; Q318-M320 PolarHBondContact O-N 2.78Å; M320-A322 PolarHBondContact O-N 3.07Å
321R97.8Very high97.6Very high34 Ų3420.6 Ų20.613%0.12811%0.114CC..PPolyproline II helixtrans-66.5126.5-178.6-69.4176.5179.5178.73.5111.7V6 Y29 Q318 E663V6-R321 HydrophobicContact CG1-CB 3.62Å; V6-R321 PolarHBondContact N-O 3.23Å; Y29-R321 HydrophobicContact CD2-CB 4.16Å; Y29-R321 HydrophobicContact CD2-CG 3.7Å; Y29-R321 HydrophobicContact CE2-CG 4.09Å; Y29-R321 HydrophobicContact CG-CB 4.13Å; Y29-R321 HydrophobicContact CG-CG 4Å; Y29-R321 VanDerWaalsContact CZ-CZ 3.5Å; Y29-R321 PolarHBondContact OH-NH2 2.76Å; Q318-R321 WeakPolarHBondContact O-CB 3.16Å; Q318-R321 VanDerWaalsContact O-CG 3.31Å; Q318-R321 WeakPolarHBondContact O-CG 3.1Å; Q318-R321 PolarHBondContact O-N 3.48Å; R321-E663 IonicContact CZ-OE1 2.63Å; R321-E663 IonicContact CZ-OE2 3.45Å; R321-E663 IonicContact NE-OE1 4Å; R321-E663 IonicContact NH2-OE1 3.16Å; R321-E663 PolarHBondContact NH2-OE1 3.33Å; R321-E663 IonicContact NH2-OE2 2.65Å; R321-E663 PolarHBondContact NH2-OE2 3.3Å
322A97.8Very high97.6Very high0 Ų024.1 Ų24.10%013%0.13CC..BIsolated β-bridgetrans-97.5157.7-176.900000112.7Y29 M30 T208 M320Y29-A322 CarbonylContact C-O 3.58Å; Y29-A322 WeakPolarHBondContact CA-O 3.29Å; M30-A322 HydrophobicContact CB-CB 4.39Å; M30-A322 HydrophobicContact CE-CB 4.18Å; M30-A322 PolarHBondContact N-O 3.14Å; M30-A322 PolarHBondContact O-N 2.93Å; T208-A322 HydrophobicContact CG2-CB 4.06Å; T208-A322 VanDerWaalsContact O-CB 3.31Å; T208-A322 WeakPolarHBondContact O-CB 3.16Å; M320-A322 PolarHBondContact O-N 3.07Å
323L97.5Very high97.6Very high5 Ų528.6 Ų28.63%0.02616%0.161CC..PPolyproline II helixtrans-77.3140.1171.6178.861.6000111.3M1 F4 L9 I17 L207 T208M1-L323 HydrophobicContact CE-CD2 3.79Å; F4-L323 HydrophobicContact CD1-CB 4.38Å; F4-L323 HydrophobicContact CD1-CD2 4.3Å; F4-L323 HydrophobicContact CE1-CD2 4.28Å; L9-L323 HydrophobicContact CD1-CD1 3.89Å; I17-L323 HydrophobicContact CG2-CD2 4.2Å; L207-L323 CarbonylContact C-O 3Å; L207-L323 VanDerWaalsContact CA-O 3.23Å; L207-L323 WeakPolarHBondContact CA-O 3.26Å; T208-L323 PolarHBondContact N-O 3.43Å
324F98.1Very high97.4Very high1 Ų131 Ų310%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-136.9129.8162.3170.8-93.9000110.6A27 M30 I205 L207 A326 F341 I346 L349 I372A27-F324 HydrophobicContact CB-CD1 4.11Å; A27-F324 PolarHBondContact N-O 2.69Å; M30-F324 HydrophobicContact CB-CB 4.02Å; M30-F324 HydrophobicContact SD-CB 4.32Å; I205-F324 HydrophobicContact CG2-CD2 4.14Å; I205-F324 HydrophobicContact CG2-CE2 3.64Å; L207-F324 HydrophobicContact CB-CD2 4.38Å; F324-A326 HydrophobicContact CE1-CB 4.23Å; F324-A326 HydrophobicContact CZ-CB 3.87Å; F324-F341 HydrophobicContact CB-CZ 4.1Å; F324-F341 AromaticContact CD1-CE1 3.7Å; F324-F341 HydrophobicContact CD1-CE1 3.7Å; F324-F341 AromaticContact CD1-CZ 3.6Å; F324-F341 HydrophobicContact CD1-CZ 3.6Å; F324-F341 HydrophobicContact CD2-CE2 4.47Å; F324-F341 AromaticContact CD2-CZ 3.67Å; F324-F341 HydrophobicContact CD2-CZ 3.67Å; F324-F341 HydrophobicContact CE1-CE1 4.01Å; F324-F341 AromaticContact CE1-CZ 3.87Å; F324-F341 HydrophobicContact CE1-CZ 3.87Å; F324-F341 AromaticContact CE2-CZ 3.92Å; F324-F341 HydrophobicContact CE2-CZ 3.92Å; F324-F341 HydrophobicContact CG-CE1 4.01Å; F324-F341 AromaticContact CG-CZ 3.49Å; F324-F341 HydrophobicContact CG-CZ 3.49Å; F324-F341 VanDerWaalsContact CG-CZ 3.49Å; F324-F341 HydrophobicContact CZ-CZ 4.01Å; F324-I346 HydrophobicContact CD2-CD1 3.63Å; F324-I346 HydrophobicContact CE2-CD1 3.35Å; F324-I346 HydrophobicContact CZ-CD1 4.32Å; F324-L349 HydrophobicContact CE2-CD2 4.37Å; F324-L349 HydrophobicContact CZ-CD2 4.07Å; F324-I372 HydrophobicContact CE1-CD1 3.92Å; F324-I372 HydrophobicContact CZ-CD1 3.74Å
325L97.9Very high97.4Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-146.6137.9-179.5167.466.3000109.1I17 L20 I21 H26 I205 I206 V327I17-L325 HydrophobicContact CG2-CD2 4.38Å; L20-L325 HydrophobicContact CB-CD1 4.27Å; L20-L325 HydrophobicContact CB-CD2 3.39Å; L20-L325 HydrophobicContact CB-CG 4.3Å; L20-L325 HydrophobicContact CD1-CD2 3.98Å; L20-L325 HydrophobicContact CG-CD2 4.35Å; I21-L325 HydrophobicContact CG1-CD1 4.15Å; H26-L325 HydrophobicContact CB-CD1 4.27Å; I205-L325 CarbonylContact C-O 3.54Å; I205-L325 WeakPolarHBondContact CA-O 3.06Å; I206-L325 HydrophobicContact CB-CB 4.25Å; I206-L325 HydrophobicContact CB-CD2 4.24Å; I206-L325 HydrophobicContact CB-CG 4.47Å; I206-L325 HydrophobicContact CD1-CD2 4.08Å; I206-L325 HydrophobicContact CD1-CG 4.21Å; I206-L325 PolarHBondContact N-O 2.73Å; I206-L325 PolarHBondContact O-N 3.23Å; L325-V327 HydrophobicContact CD1-CG1 4.16Å
326A98.3Very high97.4Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-136.3123.9-18000000110.1G24 S25 A204 I205 F324 F331 I372G24-A326 CarbonylContact C-O 3.51Å; G24-A326 WeakPolarHBondContact CA-O 3.45Å; S25-A326 PolarHBondContact N-O 2.97Å; S25-A326 PolarHBondContact O-N 3.08Å; A204-A326 WeakPolarHBondContact O-CA 3.3Å; I205-A326 HydrophobicContact CG1-CB 4.39Å; F324-A326 HydrophobicContact CE1-CB 4.23Å; F324-A326 HydrophobicContact CZ-CB 3.87Å; A326-F331 HydrophobicContact CB-CD1 3.77Å; A326-F331 HydrophobicContact CB-CD2 3.84Å; A326-F331 HydrophobicContact CB-CE1 3.67Å; A326-F331 HydrophobicContact CB-CE2 3.71Å; A326-F331 HydrophobicContact CB-CG 3.84Å; A326-F331 HydrophobicContact CB-CZ 3.64Å; A326-I372 HydrophobicContact CB-CD1 4.32Å
327V98Very high97.2Very high9 Ų938.9 Ų38.96%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-132.9143.9-178.4-69.80000109.9L20 F190 A204 I206 L325L20-V327 HydrophobicContact CB-CG1 4.08Å; L20-V327 HydrophobicContact CD2-CG1 4.18Å; L20-V327 HydrophobicContact CD2-CG2 4.21Å; L20-V327 WeakPolarHBondContact O-CG1 3.22Å; F190-V327 HydrophobicContact CE1-CG2 3.65Å; F190-V327 HydrophobicContact CZ-CG2 3.41Å; F190-V327 VanDerWaalsContact CZ-CG2 3.41Å; A204-V327 HydrophobicContact CB-CG2 4Å; A204-V327 PolarHBondContact N-O 2.88Å; A204-V327 PolarHBondContact O-N 3.17Å; I206-V327 HydrophobicContact CD1-CG2 4.09Å; L325-V327 HydrophobicContact CD1-CG1 4.16Å
328G97.1Very high96.7Very high28 Ų2841.8 Ų41.829%0.28924%0.244SC..SBendtrans146.4178.4179.600000112.9I202 D330 F331I202-G328 WeakPolarHBondContact O-CA 3.47Å; G328-D330 PolarHBondContact O-N 2.82Å; G328-F331 PolarHBondContact O-N 3.18Å
329P96.9Very high96.3Very high63 Ų6338 Ų3841%0.40923%0.227SC..THydrogen-bonded Turntrans-61.9-25.7-175.726.4-37000114.2N200 I202 N203N200-P329 WeakPolarHBondContact O-CG 3.24Å; I202-P329 WeakPolarHBondContact O-CD 3.36Å; N203-P329 VanDerWaalsContact OD1-CD 3.25Å; N203-P329 WeakPolarHBondContact OD1-CD 3.19Å
330D97.6Very high96.1Very high61 Ų6138.6 Ų38.633%0.32623%0.231SC..THydrogen-bonded Turntrans-98.1-0.5-177.6-63.3-52.6000113.5N203 G328 L353 M373 V374N203-D330 PolarHBondContact ND2-OD2 3.42Å; N203-D330 PolarHBondContact OD1-N 3.28Å; G328-D330 PolarHBondContact O-N 2.82Å; D330-L353 HydrophobicContact CB-CD2 3.65Å; D330-M373 CarbonylContact O-C 3.52Å; D330-M373 VanDerWaalsContact O-CA 3.29Å; D330-M373 WeakPolarHBondContact O-CA 3.39Å; D330-V374 PolarHBondContact O-N 2.8Å
331F98.2Very high96Very high10 Ų1039.1 Ų39.14%0.04423%0.233CC..BIsolated β-bridgetrans-106.2143177.2-66.2-64000112N203 I205 A326 G328 L349 L353 I372 V374N203-F331 HydrophobicContact CB-CD2 4.27Å; N203-F331 HydrophobicContact CB-CE2 3.8Å; I205-F331 HydrophobicContact CD1-CZ 4.23Å; I205-F331 HydrophobicContact CG1-CE2 4.21Å; I205-F331 HydrophobicContact CG1-CZ 3.99Å; A326-F331 HydrophobicContact CB-CD1 3.77Å; A326-F331 HydrophobicContact CB-CD2 3.84Å; A326-F331 HydrophobicContact CB-CE1 3.67Å; A326-F331 HydrophobicContact CB-CE2 3.71Å; A326-F331 HydrophobicContact CB-CG 3.84Å; A326-F331 HydrophobicContact CB-CZ 3.64Å; G328-F331 PolarHBondContact O-N 3.18Å; F331-L349 HydrophobicContact CE1-CD1 3.97Å; F331-L349 HydrophobicContact CE1-CD2 4.18Å; F331-L349 HydrophobicContact CZ-CD1 4.42Å; F331-L349 HydrophobicContact CZ-CD2 4.28Å; F331-L353 HydrophobicContact CE1-CD1 4.24Å; F331-L353 HydrophobicContact CE1-CD2 4.42Å; F331-L353 HydrophobicContact CE2-CD1 4.11Å; F331-L353 HydrophobicContact CZ-CD1 3.47Å; F331-L353 VanDerWaalsContact CZ-CD1 3.47Å; F331-L353 HydrophobicContact CZ-CD2 4.18Å; F331-L353 HydrophobicContact CZ-CG 4.38Å; F331-I372 WeakPolarHBondContact CA-O 3.43Å; F331-I372 HydrophobicContact CD1-CD1 3.92Å; F331-I372 HydrophobicContact CD1-CG1 4.25Å; F331-I372 HydrophobicContact CE1-CD1 3.65Å; F331-I372 HydrophobicContact CE1-CG1 4.27Å; F331-V374 WeakPolarHBondContact O-CG2 3.33Å
332K98Very high96Very high77 Ų7737.8 Ų37.834%0.33523%0.228SC..  trans-66.2141.4174.9-67.4178.9-177.5165.70109.9G24 S25 F335 P371 I372 M373 V374G24-K332 CarbonylContact C-O 3.45Å; G24-K332 WeakPolarHBondContact CA-O 3.5Å; S25-K332 PolarHBondContact N-O 3.35Å; S25-K332 VanDerWaalsContact N-O 3.16Å; S25-K332 PolarHBondContact OG-N 2.95Å; S25-K332 PolarHBondContact OG-O 3.23Å; K332-F335 HydrophobicContact CB-CB 3.62Å; K332-F335 HydrophobicContact CB-CG 4.15Å; K332-F335 HydrophobicContact CD-CB 4.44Å; K332-F335 HydrophobicContact CD-CD2 3.91Å; K332-F335 HydrophobicContact CD-CE2 4.37Å; K332-F335 HydrophobicContact CD-CG 4.11Å; K332-P371 WeakPolarHBondContact CD-O 3.43Å; K332-P371 VanDerWaalsContact CE-O 3.25Å; K332-P371 WeakPolarHBondContact CE-O 3.14Å; K332-P371 PolarHBondContact NZ-O 3.15Å; K332-I372 PolarHBondContact N-O 3.2Å; K332-M373 WeakPolarHBondContact CE-O 3.21Å; K332-V374 HydrophobicContact CG-CG2 4.33Å
333S96.5Very high96Very high94 Ų9437.8 Ų37.866%0.65723%0.228SC*.THydrogen-bonded Turntrans-85.9139.2176-165.90000111.2A23 F335A23-S333 WeakPolarHBondContact O-CA 3.26Å; A23-S333 WeakPolarHBondContact O-CB 3.33Å; A23-S333 PolarHBondContact O-OG 3.03Å; S333-F335 PolarHBondContact O-N 3.12Å
334G95.4Very high96Very high50 Ų5037.5 Ų37.552%0.51523%0.227SC..THydrogen-bonded Turntrans61.121-179.800000114.6Q22 G24Q22-G334 VanDerWaalsContact O-CA 3.22Å; Q22-G334 WeakPolarHBondContact O-CA 3.44Å; Q22-G334 PolarHBondContact O-N 2.81Å; Q22-G334 VanDerWaalsContact O-N 3.08Å; G24-G334 WeakPolarHBondContact O-CA 3.45Å; G24-G334 PolarHBondContact O-N 2.75Å
335F97.5Very high95.9Very high58 Ų5837.6 Ų37.625%0.25423%0.228SC..EExtended strand (participates in β ladder)trans-91.8127-174.7-177.8-92.9000111G24 S25 H26 K332 S333 P371 I372G24-F335 PolarHBondContact O-N 3.32Å; S25-F335 CarbonylContact C-O 3.55Å; S25-F335 VanDerWaalsContact CA-O 3.23Å; S25-F335 WeakPolarHBondContact CA-O 3.38Å; H26-F335 PolarHBondContact N-O 3.4Å; H26-F335 PolarHBondContact ND1-O 3.11Å; K332-F335 HydrophobicContact CB-CB 3.62Å; K332-F335 HydrophobicContact CB-CG 4.15Å; K332-F335 HydrophobicContact CD-CB 4.44Å; K332-F335 HydrophobicContact CD-CD2 3.91Å; K332-F335 HydrophobicContact CD-CE2 4.37Å; K332-F335 HydrophobicContact CD-CG 4.11Å; S333-F335 PolarHBondContact O-N 3.12Å; F335-P371 HydrophobicContact CE1-CB 4.38Å; F335-P371 HydrophobicContact CZ-CB 4.12Å; F335-I372 HydrophobicContact CD1-CB 4.38Å; F335-I372 HydrophobicContact CD1-CG2 3.85Å; F335-I372 HydrophobicContact CE1-CG2 3.76Å
336K96.5Very high96Very high129 Ų12937.7 Ų37.756%0.56123%0.228SC*.EExtended strand (participates in β ladder)trans-107.3120.4172.1-176175.6178.1-177.70109H26 S338H26-K336 WeakPolarHBondContact NE2-CG 3.43Å; H26-K336 WeakPolarHBondContact O-CA 3.43Å; K336-S338 PolarHBondContact O-N 3.29Å
337S92.5Very high96Very high19 Ų1937.7 Ų37.713%0.13323%0.228CC..  trans-58.3137.7168.9-176.60000109.6H26 P28 L339H26-S337 PolarHBondContact O-N 3.23Å; P28-S337 WeakPolarHBondContact CD-O 3.33Å; S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.44Å; S337-L339 PolarHBondContact OG-N 2.94Å; S337-L339 PolarHBondContact OG-O 2.96Å
338S85.6Confident95.9Very high100 Ų10037.5 Ų37.570%0.69923%0.226SC*.SBendtrans-68.1-29.3176.250.30000112.2K336K336-S338 PolarHBondContact O-N 3.29Å
339L88.7Confident95.9Very high46 Ų4636.3 Ų36.324%0.24121%0.213CC..SBendtrans-123.5145.8-174.8-62.9171.2000112.1S337 I656S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.44Å; S337-L339 PolarHBondContact OG-N 2.94Å; S337-L339 PolarHBondContact OG-O 2.96Å; L339-I656 HydrophobicContact CD1-CB 4.04Å; L339-I656 HydrophobicContact CD1-CG1 3.91Å; L339-I656 HydrophobicContact CD1-CG2 3.56Å
340P94.9Very high96Very high27 Ų2734.2 Ų34.218%0.17520%0.199CC..  trans-68.7164.8162.334.4-37.4000110.7Y29 Y31Y29-P340 HydrophobicContact CD2-CB 3.61Å; Y29-P340 HydrophobicContact CD2-CG 4.35Å; Y29-P340 HydrophobicContact CE2-CB 3.42Å; Y29-P340 VanDerWaalsContact CE2-CB 3.42Å; Y29-P340 HydrophobicContact CE2-CG 3.66Å; Y29-P340 HydrophobicContact CG-CB 4.26Å; Y29-P340 WeakPolarHBondContact O-CA 3.19Å; Y29-P340 WeakPolarHBondContact O-CB 3.29Å; Y31-P340 HydrophobicContact CD2-CB 4.15Å; Y31-P340 HydrophobicContact CD2-CG 4.4Å; Y31-P340 HydrophobicContact CE2-CB 3.8Å; Y31-P340 HydrophobicContact CE2-CG 3.61Å
341F95.3Very high96Very high11 Ų1131.3 Ų31.35%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-146.5167.617963.1-93.7000110.6A27 M30 Y31 F324 E345 I346 L369A27-F341 HydrophobicContact CB-CD1 4.13Å; A27-F341 HydrophobicContact CB-CE1 3.74Å; M30-F341 WeakPolarHBondContact CA-O 3.4Å; M30-F341 HydrophobicContact CG-CD2 4.19Å; M30-F341 HydrophobicContact CG-CE2 3.9Å; M30-F341 HydrophobicContact CG-CZ 4.37Å; M30-F341 WeakPolarHBondContact CG-O 3.44Å; M30-F341 HydrophobicContact SD-CE2 3.74Å; M30-F341 HydrophobicContact SD-CZ 4.23Å; Y31-F341 PolarHBondContact N-O 2.96Å; F324-F341 HydrophobicContact CB-CZ 4.1Å; F324-F341 AromaticContact CD1-CE1 3.7Å; F324-F341 HydrophobicContact CD1-CE1 3.7Å; F324-F341 AromaticContact CD1-CZ 3.6Å; F324-F341 HydrophobicContact CD1-CZ 3.6Å; F324-F341 HydrophobicContact CD2-CE2 4.47Å; F324-F341 AromaticContact CD2-CZ 3.67Å; F324-F341 HydrophobicContact CD2-CZ 3.67Å; F324-F341 HydrophobicContact CE1-CE1 4.01Å; F324-F341 AromaticContact CE1-CZ 3.87Å; F324-F341 HydrophobicContact CE1-CZ 3.87Å; F324-F341 AromaticContact CE2-CZ 3.92Å; F324-F341 HydrophobicContact CE2-CZ 3.92Å; F324-F341 HydrophobicContact CG-CE1 4.01Å; F324-F341 AromaticContact CG-CZ 3.49Å; F324-F341 HydrophobicContact CG-CZ 3.49Å; F324-F341 VanDerWaalsContact CG-CZ 3.49Å; F324-F341 HydrophobicContact CZ-CZ 4.01Å; F341-E345 HydrophobicContact CB-CG 4.39Å; F341-E345 HydrophobicContact CD2-CB 3.91Å; F341-E345 HydrophobicContact CD2-CG 4.23Å; F341-E345 HydrophobicContact CE2-CB 4.49Å; F341-I346 HydrophobicContact CE2-CD1 3.66Å; F341-I346 HydrophobicContact CE2-CG1 4.27Å; F341-I346 HydrophobicContact CZ-CD1 3.98Å; F341-L369 HydrophobicContact CD1-CD2 3.63Å; F341-L369 HydrophobicContact CD2-CD1 4.34Å; F341-L369 HydrophobicContact CD2-CD2 4.15Å; F341-L369 HydrophobicContact CE1-CD2 3.5Å; F341-L369 HydrophobicContact CE2-CD1 3.91Å; F341-L369 HydrophobicContact CE2-CD2 4.08Å; F341-L369 HydrophobicContact CG-CD2 3.95Å; F341-L369 HydrophobicContact CZ-CD1 4.06Å; F341-L369 HydrophobicContact CZ-CD2 3.74Å
342Q97.2Very high95.9Very high5 Ų531.4 Ų31.42%0.02318%0.184CC..EExtended strand (participates in β ladder)trans-87.5149.1178-68.1-170-74.200112.6Y31 Y50 I344 E345 I661Y31-Q342 CarbonylContact O-C 3.47Å; Y31-Q342 WeakPolarHBondContact O-CA 3.41Å; Y50-Q342 PolarHBondContact OH-OE1 2.87Å; Q342-I344 HydrophobicContact CB-CG1 3.97Å; Q342-I344 PolarHBondContact O-N 3.16Å; Q342-I344 VanDerWaalsContact O-N 3.08Å; Q342-E345 VanDerWaalsContact O-CB 3.31Å; Q342-E345 WeakPolarHBondContact O-CB 3.23Å; Q342-E345 WeakPolarHBondContact O-CG 3.3Å; Q342-E345 PolarHBondContact O-N 3.46Å; Q342-I661 HydrophobicContact CG-CD1 3.94Å
343N98.1Very high95.9Very high0 Ų029.4 Ų29.40%018%0.177CC..G310 helixtrans-60-22.3-176.468.7-7000115.4M30 Y31 S33 N41 I45 E345 I346M30-N343 HydrophobicContact CE-CB 3.83Å; M30-N343 HydrophobicContact CG-CB 4.38Å; M30-N343 HydrophobicContact SD-CB 3.85Å; Y31-N343 PolarHBondContact O-N 2.79Å; S33-N343 PolarHBondContact N-OD1 3.3Å; S33-N343 PolarHBondContact OG-OD1 3.48Å; S33-N343 VanDerWaalsContact OG-OD1 3.12Å; N41-N343 PolarHBondContact OD1-ND2 2.95Å; I45-N343 HydrophobicContact CD1-CB 4.46Å; I45-N343 HydrophobicContact CG1-CB 3.76Å; N343-E345 PolarHBondContact O-N 3.28Å; N343-I346 WeakPolarHBondContact O-CB 3.47Å; N343-I346 VanDerWaalsContact O-CG1 3.28Å; N343-I346 WeakPolarHBondContact O-CG1 3.46Å; N343-I346 PolarHBondContact O-N 3.26Å
344I98Very high95.9Very high0 Ų027.2 Ų27.20%016%0.158CC..G310 helixtrans-60.8-23.517357.6153.3000113.1G48 L49 Y50 Q342 I346 N363G48-I344 WeakPolarHBondContact CA-O 3.17Å; L49-I344 WeakPolarHBondContact O-CG2 3.13Å; Y50-I344 HydrophobicContact CD1-CD1 4.48Å; Y50-I344 HydrophobicContact CD1-CG2 4.09Å; Y50-I344 HydrophobicContact CE1-CD1 3.69Å; Y50-I344 HydrophobicContact CE1-CG1 4.23Å; Y50-I344 HydrophobicContact CE1-CG2 4.16Å; Y50-I344 HydrophobicContact CE2-CD1 3.98Å; Y50-I344 VanDerWaalsContact OH-CD1 3.26Å; Y50-I344 WeakPolarHBondContact OH-CD1 3.49Å; Q342-I344 HydrophobicContact CB-CG1 3.97Å; Q342-I344 PolarHBondContact O-N 3.16Å; Q342-I344 VanDerWaalsContact O-N 3.08Å; I344-I346 PolarHBondContact O-N 3.47Å; I344-N363 HydrophobicContact CD1-CB 4Å
345E96.7Very high95.9Very high3 Ų331.1 Ų31.11%0.01417%0.167CC..G310 helixtrans-71.3-17.8-177.9-55.5-58.2170.800112.9F341 Q342 N343 Y347 G364 T365 I368 L369F341-E345 HydrophobicContact CB-CG 4.39Å; F341-E345 HydrophobicContact CD2-CB 3.91Å; F341-E345 HydrophobicContact CD2-CG 4.23Å; F341-E345 HydrophobicContact CE2-CB 4.49Å; Q342-E345 VanDerWaalsContact O-CB 3.31Å; Q342-E345 WeakPolarHBondContact O-CB 3.23Å; Q342-E345 WeakPolarHBondContact O-CG 3.3Å; Q342-E345 PolarHBondContact O-N 3.46Å; N343-E345 PolarHBondContact O-N 3.28Å; E345-Y347 VanDerWaalsContact C-N 3.29Å; E345-Y347 PolarHBondContact O-N 3.43Å; E345-G364 WeakPolarHBondContact OE2-CA 3.41Å; E345-T365 PolarHBondContact OE1-OG1 3.42Å; E345-T365 WeakPolarHBondContact OE2-CA 3.41Å; E345-T365 PolarHBondContact OE2-N 3.41Å; E345-I368 HydrophobicContact CB-CG2 3.88Å; E345-I368 HydrophobicContact CG-CG2 3.93Å; E345-I368 WeakPolarHBondContact OE2-CG2 3.35Å; E345-L369 HydrophobicContact CB-CD1 4.09Å
346I98.2Very high95.9Very high2 Ų228.7 Ų28.71%0.0116%0.156CC..Hα-helixtrans-64.2-33.5-178.8-61.7-62.8000112.1M30 I45 L207 F324 F341 N343 I344 N348 L349 I350 L369M30-I346 HydrophobicContact SD-CD1 4.27Å; M30-I346 HydrophobicContact SD-CG1 4.18Å; I45-I346 HydrophobicContact CG2-CB 4.37Å; I45-I346 HydrophobicContact CG2-CG2 4.05Å; L207-I346 HydrophobicContact CD2-CD1 4.19Å; L207-I346 HydrophobicContact CD2-CG1 4.06Å; L207-I346 HydrophobicContact CD2-CG2 4.16Å; F324-I346 HydrophobicContact CD2-CD1 3.63Å; F324-I346 HydrophobicContact CE2-CD1 3.35Å; F324-I346 HydrophobicContact CZ-CD1 4.32Å; F341-I346 HydrophobicContact CE2-CD1 3.66Å; F341-I346 HydrophobicContact CE2-CG1 4.27Å; F341-I346 HydrophobicContact CZ-CD1 3.98Å; N343-I346 WeakPolarHBondContact O-CB 3.47Å; N343-I346 VanDerWaalsContact O-CG1 3.28Å; N343-I346 WeakPolarHBondContact O-CG1 3.46Å; N343-I346 PolarHBondContact O-N 3.26Å; I344-I346 PolarHBondContact O-N 3.47Å; I346-N348 PolarHBondContact O-N 3.49Å; I346-L349 WeakPolarHBondContact O-CB 3.43Å; I346-L349 PolarHBondContact O-N 2.9Å; I346-I350 HydrophobicContact CG2-CD1 3.8Å; I346-I350 HydrophobicContact CG2-CG1 4.24Å; I346-I350 WeakPolarHBondContact O-CG1 3.49Å; I346-I350 PolarHBondContact O-N 3.32Å; I346-L369 HydrophobicContact CD1-CD1 4.11Å
347Y98.5Very high95.8Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-57-49.1-178.2180-87.5000111.8V46 I91 T94 E345 L349 I350 A351 R359 A360 N362V46-Y347 VanDerWaalsContact O-CD2 3.25Å; V46-Y347 WeakPolarHBondContact O-CD2 3.47Å; I91-Y347 HydrophobicContact CB-CD2 4.11Å; I91-Y347 HydrophobicContact CB-CE2 3.99Å; I91-Y347 HydrophobicContact CD1-CD2 4.2Å; I91-Y347 HydrophobicContact CD1-CE2 3.85Å; I91-Y347 HydrophobicContact CG1-CE2 4.48Å; T94-Y347 WeakPolarHBondContact CB-OH 3.42Å; T94-Y347 VanDerWaalsContact CG2-OH 3.3Å; T94-Y347 WeakPolarHBondContact CG2-OH 3.33Å; T94-Y347 PolarHBondContact OG1-OH 3.16Å; E345-Y347 VanDerWaalsContact C-N 3.29Å; E345-Y347 PolarHBondContact O-N 3.43Å; Y347-L349 VanDerWaalsContact C-N 3.34Å; Y347-L349 PolarHBondContact O-N 2.68Å; Y347-I350 PolarHBondContact O-N 2.98Å; Y347-A351 PolarHBondContact O-N 2.73Å; Y347-R359 HydrophobicContact CE1-CB 4.47Å; Y347-A360 WeakPolarHBondContact OH-CB 3.42Å; Y347-A360 PolarHBondContact OH-N 3.06Å; Y347-A360 VanDerWaalsContact OH-N 3.07Å; Y347-N362 HydrophobicContact CD1-CB 4.24Å; Y347-N362 WeakPolarHBondContact CD1-ND2 3.38Å; Y347-N362 HydrophobicContact CE1-CB 4.47Å; Y347-N362 WeakPolarHBondContact CE1-ND2 3.42Å
348N97.1Very high96Very high4 Ų436.1 Ų36.12%0.02118%0.184CC..Hα-helixtrans-68.7-33.9-179-73.8-39.7000111.9I346 A351 D352 N362 G364I346-N348 PolarHBondContact O-N 3.49Å; N348-A351 PolarHBondContact O-N 2.9Å; N348-D352 WeakPolarHBondContact O-CB 3.36Å; N348-D352 PolarHBondContact O-N 2.71Å; N348-N362 PolarHBondContact ND2-OD1 2.9Å; N348-N362 PolarHBondContact OD1-ND2 3.28Å; N348-G364 PolarHBondContact ND2-O 3.43Å
349L97.6Very high96.5Very high3 Ų334.8 Ų34.82%0.01616%0.164CC..Hα-helixtrans-59.7-47.5173.1172.363.7000111.7I205 F324 F331 I346 Y347 A351 D352 L353 L369 I372 M373I205-L349 HydrophobicContact CD1-CD2 3.82Å; I205-L349 HydrophobicContact CD1-CG 4.35Å; F324-L349 HydrophobicContact CE2-CD2 4.37Å; F324-L349 HydrophobicContact CZ-CD2 4.07Å; F331-L349 HydrophobicContact CE1-CD1 3.97Å; F331-L349 HydrophobicContact CE1-CD2 4.18Å; F331-L349 HydrophobicContact CZ-CD1 4.42Å; F331-L349 HydrophobicContact CZ-CD2 4.28Å; I346-L349 WeakPolarHBondContact O-CB 3.43Å; I346-L349 PolarHBondContact O-N 2.9Å; Y347-L349 VanDerWaalsContact C-N 3.34Å; Y347-L349 PolarHBondContact O-N 2.68Å; L349-A351 VanDerWaalsContact C-N 3.33Å; L349-A351 PolarHBondContact O-N 3.2Å; L349-D352 PolarHBondContact O-N 3.24Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.24Å; L349-L353 HydrophobicContact CG-CD1 4.16Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.35Å; L349-L369 HydrophobicContact CB-CB 4.16Å; L349-L369 HydrophobicContact CB-CD1 3.82Å; L349-L369 HydrophobicContact CD1-CB 4.18Å; L349-L369 HydrophobicContact CD2-CB 4.4Å; L349-L369 HydrophobicContact CD2-CD1 3.9Å; L349-L369 HydrophobicContact CG-CB 4.47Å; L349-L369 HydrophobicContact CG-CD1 4.42Å; L349-I372 HydrophobicContact CD1-CD1 4.29Å; L349-I372 HydrophobicContact CD2-CD1 3.89Å; L349-M373 HydrophobicContact CD1-CG 4.11Å; L349-M373 HydrophobicContact CD1-SD 4.06Å
350I97.9Very high96.9Very high19 Ų1932.8 Ų32.810%0.09715%0.154CC..Hα-helixtrans-64.5-42178.8-62.1168.3000110.3I91 V152 I205 I346 Y347 D352 L353 L354I91-I350 HydrophobicContact CD1-CB 4.5Å; I91-I350 HydrophobicContact CD1-CG2 4.17Å; I91-I350 HydrophobicContact CG1-CB 4.25Å; I91-I350 HydrophobicContact CG1-CG2 3.71Å; V152-I350 HydrophobicContact CG2-CG2 4.15Å; I205-I350 HydrophobicContact CD1-CG1 4.08Å; I346-I350 HydrophobicContact CG2-CD1 3.8Å; I346-I350 HydrophobicContact CG2-CG1 4.24Å; I346-I350 WeakPolarHBondContact O-CG1 3.49Å; I346-I350 PolarHBondContact O-N 3.32Å; Y347-I350 PolarHBondContact O-N 2.98Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 2.65Å; I350-L353 PolarHBondContact O-N 2.8Å; I350-L354 HydrophobicContact CG2-CD1 4.03Å; I350-L354 WeakPolarHBondContact O-CG 3.31Å; I350-L354 PolarHBondContact O-N 3.17Å; I350-L354 VanDerWaalsContact O-N 3.14Å
351A97.6Very high97Very high0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-62.5-38.5177.100000112.7Y347 N348 L349 N355 L356 R359Y347-A351 PolarHBondContact O-N 2.73Å; N348-A351 PolarHBondContact O-N 2.9Å; L349-A351 VanDerWaalsContact C-N 3.33Å; L349-A351 PolarHBondContact O-N 3.2Å; A351-N355 PolarHBondContact O-N 3.34Å; A351-N355 VanDerWaalsContact O-N 3.14Å; A351-L356 HydrophobicContact CB-CB 4.4Å; A351-L356 HydrophobicContact CB-CD1 4.01Å; A351-L356 HydrophobicContact CB-CG 4.36Å; A351-L356 PolarHBondContact O-N 3.37Å; A351-R359 HydrophobicContact CB-CG 4.17Å
352D96.9Very high97.1Very high12 Ų1238.2 Ų38.26%0.06419%0.188CC..Hα-helixtrans-68.1-45.9176.8-75.7-24.9000111.9N348 L349 I350 L354 N355 R359 H370 M373 P377N348-D352 WeakPolarHBondContact O-CB 3.36Å; N348-D352 PolarHBondContact O-N 2.71Å; L349-D352 PolarHBondContact O-N 3.24Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 2.65Å; D352-L354 PolarHBondContact O-N 2.65Å; D352-N355 PolarHBondContact O-N 2.95Å; D352-R359 IonicContact OD1-CZ 3.49Å; D352-R359 IonicContact OD1-NH1 3.37Å; D352-R359 PolarHBondContact OD1-NH1 2.8Å; D352-R359 IonicContact OD1-NH2 3.22Å; D352-R359 PolarHBondContact OD1-NH2 3.31Å; D352-R359 IonicContact OD2-NH1 3.61Å; D352-H370 IonicContact OD2-CD2 3.49Å; D352-H370 PolarHBondContact OD2-CD2 3.41Å; D352-H370 IonicContact OD2-CE1 3.96Å; D352-H370 IonicContact OD2-NE2 2.8Å; D352-H370 PolarHBondContact OD2-NE2 3.42Å; D352-M373 HydrophobicContact CB-CE 4.21Å; D352-M373 HydrophobicContact CB-SD 4.4Å; D352-P377 HydrophobicContact CB-CG 3.96Å
353L97.2Very high97Very high35 Ų3540.7 Ų40.718%0.18320%0.201CC..Hα-helixtrans-58.3-36.7176.4-74.2169000112.5I205 D330 F331 L349 I350 N355 M373I205-L353 HydrophobicContact CD1-CD1 4.33Å; D330-L353 HydrophobicContact CB-CD2 3.65Å; F331-L353 HydrophobicContact CE1-CD1 4.24Å; F331-L353 HydrophobicContact CE1-CD2 4.42Å; F331-L353 HydrophobicContact CE2-CD1 4.11Å; F331-L353 HydrophobicContact CZ-CD1 3.47Å; F331-L353 VanDerWaalsContact CZ-CD1 3.47Å; F331-L353 HydrophobicContact CZ-CD2 4.18Å; F331-L353 HydrophobicContact CZ-CG 4.38Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.24Å; L349-L353 HydrophobicContact CG-CD1 4.16Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.35Å; I350-L353 PolarHBondContact O-N 2.8Å; L353-N355 VanDerWaalsContact C-N 3.33Å; L353-M373 HydrophobicContact CD2-CE 3.98Å; L353-M373 HydrophobicContact CG-CE 4.39Å
354L96.7Very high96.9Very high49 Ų4941.2 Ų41.226%0.25721%0.207SC..THydrogen-bonded Turntrans-88.60.2179.1-64.8178000113.4V95 V152 I350 D352 L356V95-L354 HydrophobicContact CG2-CD1 3.6Å; V152-L354 HydrophobicContact CB-CD1 4.27Å; I350-L354 HydrophobicContact CG2-CD1 4.03Å; I350-L354 WeakPolarHBondContact O-CG 3.31Å; I350-L354 PolarHBondContact O-N 3.17Å; I350-L354 VanDerWaalsContact O-N 3.14Å; D352-L354 PolarHBondContact O-N 2.65Å; L354-L356 HydrophobicContact CB-CD2 3.63Å; L354-L356 HydrophobicContact CB-CG 3.83Å; L354-L356 HydrophobicContact CD1-CD2 4.42Å; L354-L356 PolarHBondContact O-N 3.17Å
355N95.7Very high96.6Very high132 Ų13242.1 Ų42.171%0.70621%0.212SC*.THydrogen-bonded Turntrans49.144.7-176.1-168.428.8000112.4A351 D352 L353 K357A351-N355 PolarHBondContact O-N 3.34Å; A351-N355 VanDerWaalsContact O-N 3.14Å; D352-N355 PolarHBondContact O-N 2.95Å; L353-N355 VanDerWaalsContact C-N 3.33Å; N355-K357 PolarHBondContact O-N 2.92Å
356L96.8Very high96.2Very high7 Ų745.6 Ų45.64%0.03723%0.234CC..  trans-68128.1-178-57.6-173.6000110.3I91 T94 V95 N98 L100 A351 L354I91-L356 HydrophobicContact CD1-CD1 4.01Å; T94-L356 HydrophobicContact CG2-CD1 4.1Å; V95-L356 HydrophobicContact CG2-CD1 3.94Å; V95-L356 HydrophobicContact CG2-CD2 4.4Å; N98-L356 HydrophobicContact CB-CD2 3.99Å; L100-L356 HydrophobicContact CD1-CD2 3.89Å; A351-L356 HydrophobicContact CB-CB 4.4Å; A351-L356 HydrophobicContact CB-CD1 4.01Å; A351-L356 HydrophobicContact CB-CG 4.36Å; A351-L356 PolarHBondContact O-N 3.37Å; L354-L356 HydrophobicContact CB-CD2 3.63Å; L354-L356 HydrophobicContact CB-CG 3.83Å; L354-L356 HydrophobicContact CD1-CD2 4.42Å; L354-L356 PolarHBondContact O-N 3.17Å
357K95Very high95.7Very high205 Ų20545.8 Ų45.889%0.89124%0.236SC*.SBendtrans-76.3-40.9176.7-66.1-177.7-179.9178.40111.5N98 N355N98-K357 PolarHBondContact OD1-N 2.89Å; N355-K357 PolarHBondContact O-N 2.92Å
358Y96.5Very high95.3Very high99 Ų9947.5 Ų47.539%0.38825%0.245SC..  trans-99.1135.1173.6170-102.9000110.2E89 T94 A97 N98E89-Y358 WeakPolarHBondContact OE1-CE1 3.49Å; T94-Y358 HydrophobicContact CG2-CD1 3.97Å; T94-Y358 HydrophobicContact CG2-CE1 4.17Å; T94-Y358 WeakPolarHBondContact CG2-O 3.2Å; A97-Y358 HydrophobicContact CB-CD1 3.89Å; A97-Y358 HydrophobicContact CB-CE1 4.12Å; N98-Y358 PolarHBondContact ND2-O 3.5Å; N98-Y358 PolarHBondContact OD1-N 3.49Å
359R95.8Very high95.1Very high72 Ų7247.7 Ų47.727%0.27225%0.246SC..  trans-129.8140.2171.6-57.4-178.8-164.6-160.5-0.5108.3Y347 A351 D352Y347-R359 HydrophobicContact CE1-CB 4.47Å; A351-R359 HydrophobicContact CB-CG 4.17Å; D352-R359 IonicContact OD1-CZ 3.49Å; D352-R359 IonicContact OD1-NH1 3.37Å; D352-R359 PolarHBondContact OD1-NH1 2.8Å; D352-R359 IonicContact OD1-NH2 3.22Å; D352-R359 PolarHBondContact OD1-NH2 3.31Å; D352-R359 IonicContact OD2-NH1 3.61Å
360A96.9Very high94.9Very high4 Ų448.4 Ų48.43%0.03325%0.249CC..  trans-69.3147.2169.500000109.9E89 Y347 N362E89-A360 HydrophobicContact CB-CB 3.7Å; E89-A360 HydrophobicContact CG-CB 4.35Å; Y347-A360 WeakPolarHBondContact OH-CB 3.42Å; Y347-A360 PolarHBondContact OH-N 3.06Å; Y347-A360 VanDerWaalsContact OH-N 3.07Å; A360-N362 PolarHBondContact O-N 3.37Å; A360-N362 PolarHBondContact O-ND2 2.94Å
361P96.5Very high94.7Very high112 Ų11250.5 Ų50.573%0.72726%0.264SS*.  trans-54.6130.6169.9-23.833.9000110.3
362N97.4Very high94.6Very high39 Ų3950.6 Ų50.621%0.20927%0.265CS..  trans-146.4165.2-176.667.387.4000110.9T47 Y347 N348 A360 G364T47-N362 WeakPolarHBondContact O-CB 3.2Å; Y347-N362 HydrophobicContact CD1-CB 4.24Å; Y347-N362 WeakPolarHBondContact CD1-ND2 3.38Å; Y347-N362 HydrophobicContact CE1-CB 4.47Å; Y347-N362 WeakPolarHBondContact CE1-ND2 3.42Å; N348-N362 PolarHBondContact ND2-OD1 2.9Å; N348-N362 PolarHBondContact OD1-ND2 3.28Å; A360-N362 PolarHBondContact O-N 3.37Å; A360-N362 PolarHBondContact O-ND2 2.94Å; N362-G364 WeakPolarHBondContact OD1-CA 3.49Å; N362-G364 PolarHBondContact OD1-N 2.95Å; N362-G364 PolarHBondContact OD1-O 3.21Å
363N96.4Very high94.6Very high57 Ų5750.4 Ų50.431%0.30526%0.264SS..SBendtrans-87.5-7.5178.1-60.8116.6000113.2G48 L49 Y50 I344G48-N363 WeakPolarHBondContact O-CA 3.45Å; G48-N363 WeakPolarHBondContact O-CB 3.47Å; G48-N363 PolarHBondContact O-N 3.35Å; L49-N363 VanDerWaalsContact CA-OD1 3.27Å; L49-N363 WeakPolarHBondContact CA-OD1 3.41Å; L49-N363 WeakPolarHBondContact CD2-OD1 3.42Å; Y50-N363 HydrophobicContact CD2-CB 3.73Å; Y50-N363 HydrophobicContact CE2-CB 3.7Å; Y50-N363 PolarHBondContact N-OD1 2.9Å; I344-N363 HydrophobicContact CD1-CB 4Å
364G94.9Very high94.6Very high11 Ų1152.4 Ų52.411%0.11328%0.277CS..SBendtrans-64.7144.3176.800000112.3G48 E345 N348 N362G48-G364 PolarHBondContact O-N 3.14Å; E345-G364 WeakPolarHBondContact OE2-CA 3.41Å; N348-G364 PolarHBondContact ND2-O 3.43Å; N362-G364 WeakPolarHBondContact OD1-CA 3.49Å; N362-G364 PolarHBondContact OD1-N 2.95Å; N362-G364 PolarHBondContact OD1-O 3.21Å
365T91.3Very high94.5Very high19 Ų1958.2 Ų58.212%0.11730%0.3CS..  trans-86.5115.3178.2-48.60000110.6E345 G367 I368 L655 L659E345-T365 PolarHBondContact OE1-OG1 3.42Å; E345-T365 WeakPolarHBondContact OE2-CA 3.41Å; E345-T365 PolarHBondContact OE2-N 3.41Å; T365-G367 PolarHBondContact O-N 3.03Å; T365-I368 VanDerWaalsContact O-CG2 3.31Å; T365-I368 WeakPolarHBondContact O-CG2 3.42Å; T365-I368 PolarHBondContact O-N 2.86Å; T365-L655 HydrophobicContact CG2-CD2 3.6Å; T365-L659 HydrophobicContact CG2-CD1 3.98Å; T365-L659 HydrophobicContact CG2-CD2 4.33Å; T365-L659 VanDerWaalsContact OG1-CD2 3.24Å; T365-L659 WeakPolarHBondContact OG1-CD2 3.22Å
366V88.4Confident94.5Very high77 Ų7754.8 Ų54.847%0.46729%0.285SS..THydrogen-bonded Turntrans-61.5128.6177.6-175.90000109.9L379V366-L379 HydrophobicContact CG1-CD2 3.72Å
367G88.6Confident94.2Very high6 Ų656.7 Ų56.76%0.06230%0.298CS..THydrogen-bonded Turntrans96.3-14.1173.800000116.6T365 L369 H370T365-G367 PolarHBondContact O-N 3.03Å; G367-L369 VanDerWaalsContact C-N 3.29Å; G367-L369 PolarHBondContact O-N 2.94Å; G367-H370 VanDerWaalsContact O-CB 3.23Å; G367-H370 WeakPolarHBondContact O-CB 3.42Å; G367-H370 PolarHBondContact O-N 2.69Å
368I89.4Confident93.8Very high36 Ų3654.7 Ų54.719%0.18530%0.295CS..THydrogen-bonded Turntrans-62.8-35.8-174.6-175.656.9000113.3E345 T365 H370 P371 L659E345-I368 HydrophobicContact CB-CG2 3.88Å; E345-I368 HydrophobicContact CG-CG2 3.93Å; E345-I368 WeakPolarHBondContact OE2-CG2 3.35Å; T365-I368 VanDerWaalsContact O-CG2 3.31Å; T365-I368 WeakPolarHBondContact O-CG2 3.42Å; T365-I368 PolarHBondContact O-N 2.86Å; I368-H370 VanDerWaalsContact C-N 3.35Å; I368-P371 WeakPolarHBondContact O-CD 3.33Å; I368-L659 HydrophobicContact CB-CD1 3.59Å; I368-L659 HydrophobicContact CD1-CD1 3.46Å; I368-L659 VanDerWaalsContact CD1-CD1 3.46Å; I368-L659 HydrophobicContact CG1-CD1 3.29Å; I368-L659 HydrophobicContact CG2-CD1 4.19Å
369L93.8Very high93.1Very high8 Ų852.8 Ų52.84%0.04229%0.291CS..THydrogen-bonded Turntrans-93.512.8177.6-61.4176.4000112.8F341 E345 I346 L349 G367 P371 I372F341-L369 HydrophobicContact CD1-CD2 3.63Å; F341-L369 HydrophobicContact CD2-CD1 4.34Å; F341-L369 HydrophobicContact CD2-CD2 4.15Å; F341-L369 HydrophobicContact CE1-CD2 3.5Å; F341-L369 HydrophobicContact CE2-CD1 3.91Å; F341-L369 HydrophobicContact CE2-CD2 4.08Å; F341-L369 HydrophobicContact CG-CD2 3.95Å; F341-L369 HydrophobicContact CZ-CD1 4.06Å; F341-L369 HydrophobicContact CZ-CD2 3.74Å; E345-L369 HydrophobicContact CB-CD1 4.09Å; I346-L369 HydrophobicContact CD1-CD1 4.11Å; L349-L369 HydrophobicContact CB-CB 4.16Å; L349-L369 HydrophobicContact CB-CD1 3.82Å; L349-L369 HydrophobicContact CD1-CB 4.18Å; L349-L369 HydrophobicContact CD2-CB 4.4Å; L349-L369 HydrophobicContact CD2-CD1 3.9Å; L349-L369 HydrophobicContact CG-CB 4.47Å; L349-L369 HydrophobicContact CG-CD1 4.42Å; G367-L369 VanDerWaalsContact C-N 3.29Å; G367-L369 PolarHBondContact O-N 2.94Å; L369-P371 VanDerWaalsContact C-CD 3.45Å; L369-I372 HydrophobicContact CB-CD1 4.36Å; L369-I372 HydrophobicContact CB-CG1 4.28Å; L369-I372 WeakPolarHBondContact O-CG1 3.46Å
370H93.7Very high92.1Very high17 Ų1757.9 Ų57.98%0.07932%0.318CS..G310 helixtrans-64.4-35.2171.9-72.3-170.9000114.1D352 G367 I368 I372 M373 P376 P377D352-H370 IonicContact OD2-CD2 3.49Å; D352-H370 PolarHBondContact OD2-CD2 3.41Å; D352-H370 IonicContact OD2-CE1 3.96Å; D352-H370 IonicContact OD2-NE2 2.8Å; D352-H370 PolarHBondContact OD2-NE2 3.42Å; G367-H370 VanDerWaalsContact O-CB 3.23Å; G367-H370 WeakPolarHBondContact O-CB 3.42Å; G367-H370 PolarHBondContact O-N 2.69Å; I368-H370 VanDerWaalsContact C-N 3.35Å; H370-I372 PolarHBondContact O-N 3.01Å; H370-I372 VanDerWaalsContact O-N 3.15Å; H370-M373 WeakPolarHBondContact O-CB 3.2Å; H370-M373 PolarHBondContact O-N 3.15Å; H370-P376 HydrophobicContact CB-CB 3.5Å; H370-P376 VanDerWaalsContact CB-CB 3.5Å; H370-P376 HydrophobicContact CB-CG 4.32Å; H370-P377 PolarHBondContact CE1-O 3.11Å; H370-P377 PolarHBondContact ND1-O 2.86Å
371P92.9Very high90.9Very high63 Ų6362.8 Ų62.841%0.40935%0.35SS..G310 helixtrans-59.5-25.4179.2-27.637.2000114.7K332 F335 I368 L369 M373K332-P371 WeakPolarHBondContact CD-O 3.43Å; K332-P371 VanDerWaalsContact CE-O 3.25Å; K332-P371 WeakPolarHBondContact CE-O 3.14Å; K332-P371 PolarHBondContact NZ-O 3.15Å; F335-P371 HydrophobicContact CE1-CB 4.38Å; F335-P371 HydrophobicContact CZ-CB 4.12Å; I368-P371 WeakPolarHBondContact O-CD 3.33Å; L369-P371 VanDerWaalsContact C-CD 3.45Å; P371-M373 VanDerWaalsContact C-N 3.34Å
372I95.9Very high89.6Confident3 Ų359.3 Ų59.32%0.01533%0.327CS..G310 helixtrans-81.6-13.1176.964.7159000113S25 F324 A326 F331 K332 F335 L349 L369 H370S25-I372 PolarHBondContact OG-O 3.2Å; F324-I372 HydrophobicContact CE1-CD1 3.92Å; F324-I372 HydrophobicContact CZ-CD1 3.74Å; A326-I372 HydrophobicContact CB-CD1 4.32Å; F331-I372 WeakPolarHBondContact CA-O 3.43Å; F331-I372 HydrophobicContact CD1-CD1 3.92Å; F331-I372 HydrophobicContact CD1-CG1 4.25Å; F331-I372 HydrophobicContact CE1-CD1 3.65Å; F331-I372 HydrophobicContact CE1-CG1 4.27Å; K332-I372 PolarHBondContact N-O 3.2Å; F335-I372 HydrophobicContact CD1-CB 4.38Å; F335-I372 HydrophobicContact CD1-CG2 3.85Å; F335-I372 HydrophobicContact CE1-CG2 3.76Å; L349-I372 HydrophobicContact CD1-CD1 4.29Å; L349-I372 HydrophobicContact CD2-CD1 3.89Å; L369-I372 HydrophobicContact CB-CD1 4.36Å; L369-I372 HydrophobicContact CB-CG1 4.28Å; L369-I372 WeakPolarHBondContact O-CG1 3.46Å; H370-I372 PolarHBondContact O-N 3.01Å; H370-I372 VanDerWaalsContact O-N 3.15Å
373M97Very high88.4Confident8 Ų864.7 Ų64.74%0.03936%0.356CS..BIsolated β-bridgetrans-88.1147.4-177.3-58.6175.372.600111.9D330 K332 L349 D352 L353 H370 P371 P376D330-M373 CarbonylContact O-C 3.52Å; D330-M373 VanDerWaalsContact O-CA 3.29Å; D330-M373 WeakPolarHBondContact O-CA 3.39Å; K332-M373 WeakPolarHBondContact CE-O 3.21Å; L349-M373 HydrophobicContact CD1-CG 4.11Å; L349-M373 HydrophobicContact CD1-SD 4.06Å; D352-M373 HydrophobicContact CB-CE 4.21Å; D352-M373 HydrophobicContact CB-SD 4.4Å; L353-M373 HydrophobicContact CD2-CE 3.98Å; L353-M373 HydrophobicContact CG-CE 4.39Å; H370-M373 WeakPolarHBondContact O-CB 3.2Å; H370-M373 PolarHBondContact O-N 3.15Å; P371-M373 VanDerWaalsContact C-N 3.34Å; M373-P376 HydrophobicContact CB-CB 4.24Å; M373-P376 HydrophobicContact SD-CB 4.33Å
374V97.2Very high87.4Confident77 Ų7765.2 Ų65.247%0.46736%0.356SS..SBendtrans-72.7-39.4173.2-179.80000111.1D330 F331 K332D330-V374 PolarHBondContact O-N 2.8Å; F331-V374 WeakPolarHBondContact O-CG2 3.33Å; K332-V374 HydrophobicContact CG-CG2 4.33Å
375K95.3Very high86.6Confident171 Ų17168.2 Ų68.274%0.74337%0.368SS*.SBendtrans-132.576.6179.8-66.7-178.4-176.1173.50110.7
376P94.5Very high85.9Confident59 Ų5978.9 Ų78.938%0.38341%0.406SS..PPolyproline II helixtrans-67.5150.1178.227.9-33.9000111.9H370 M373H370-P376 HydrophobicContact CB-CB 3.5Å; H370-P376 VanDerWaalsContact CB-CB 3.5Å; H370-P376 HydrophobicContact CB-CG 4.32Å; M373-P376 HydrophobicContact CB-CB 4.24Å; M373-P376 HydrophobicContact SD-CB 4.33Å
377P92Very high85.5Confident47 Ų4776 Ų7631%0.30539%0.388SS..PPolyproline II helixtrans-58.2153.6167.2-23.333.6000112.7D352 H370 L379D352-P377 HydrophobicContact CB-CG 3.96Å; H370-P377 PolarHBondContact CE1-O 3.11Å; H370-P377 PolarHBondContact ND1-O 2.86Å; P377-L379 PolarHBondContact O-N 3.16Å
378I86.4Confident85.2Confident164 Ų16481 Ų8184%0.84141%0.41SS*.PPolyproline II helixtrans-78.7122.9174.9-59.4173.6000109.1
379L80.5Confident84.7Confident59 Ų5984 Ų8431%0.30942%0.419SS..PPolyproline II helixtrans-73.9131.9172.6-63.4176.4000110.4V366 P377 V651 L655V366-L379 HydrophobicContact CG1-CD2 3.72Å; P377-L379 PolarHBondContact O-N 3.16Å; L379-V651 HydrophobicContact CD1-CG1 4.12Å; L379-L655 HydrophobicContact CD1-CD1 4.14Å
380Q74.9Confident83.9Confident179 Ų17984.1 Ų84.184%0.83642%0.42SS*.PPolyproline II helixtrans-79.1141.4168.7-64.6-174.112.900109.3
381P71.4Confident82.6Confident107 Ų10788.7 Ų88.770%0.69544%0.44SS*.PPolyproline II helixtrans-61.4143.2170.827.8-32.9000109.1
382P69.6Low80.9Confident39 Ų3991 Ų9125%0.25345%0.454SS..PPolyproline II helixtrans-61.6151.5176.430.3-41.1000112.5H384 R644P382-H384 VanDerWaalsContact CB-CE1 3.47Å; P382-H384 WeakPolarHBondContact CB-CE1 3.19Å; P382-H384 WeakPolarHBondContact CG-CE1 3.17Å; P382-H384 VanDerWaalsContact CG-NE2 3.26Å; P382-H384 WeakPolarHBondContact CG-NE2 3.38Å; P382-R644 VanDerWaalsContact CG-CZ 3.45Å
383D72.7Confident78.5Confident152 Ų15293.8 Ų93.881%0.81348%0.483SS*.PPolyproline II helixtrans-79.6141.7168.1-164.410.9000109.7
384H75.5Confident75.8Confident67 Ų67101.6 Ų101.631%0.3152%0.524SS..  trans-139.5134.6-170-71.1-24.2000110.9P382 R386 V422 R644 D647P382-H384 VanDerWaalsContact CB-CE1 3.47Å; P382-H384 WeakPolarHBondContact CB-CE1 3.19Å; P382-H384 WeakPolarHBondContact CG-CE1 3.17Å; P382-H384 VanDerWaalsContact CG-NE2 3.26Å; P382-H384 WeakPolarHBondContact CG-NE2 3.38Å; H384-R386 PolarHBondContact O-N 2.82Å; H384-V422 HydrophobicContact CB-CG1 3.55Å; H384-V422 VanDerWaalsContact CG-CG1 3.49Å; H384-R644 WeakPolarHBondContact CE1-CD 3.44Å; H384-D647 IonicContact CE1-OD2 3.23Å; H384-D647 IonicContact NE2-OD2 2.9Å
385M77.9Confident73.2Confident74 Ų74102.5 Ų102.537%0.36552%0.524SS..BIsolated β-bridgetrans-74.8127.2174.2-58-169.372.800110.1L387 S423 P427M385-L387 PolarHBondContact O-N 2.79Å; M385-S423 WeakPolarHBondContact CB-O 3.39Å; M385-S423 PolarHBondContact N-O 3.47Å; M385-S423 VanDerWaalsContact N-O 3.11Å; M385-P427 HydrophobicContact CE-CB 3.77Å
386R76.6Confident70.8Confident243 Ų243100.7 Ų100.792%0.91752%0.518SS*.PPolyproline II helixtrans-69.5120.2172.7-173.7178.6-177.8-177.81109.6H384H384-R386 PolarHBondContact O-N 2.82Å
387L80.5Confident68.4Low16 Ų16101.9 Ų101.98%0.08452%0.524CS..PPolyproline II helixtrans-90.2143.5177-62.8176.6000111.6M385 T418 L429 Y431 L440M385-L387 PolarHBondContact O-N 2.79Å; L387-T418 HydrophobicContact CB-CG2 3.84Å; L387-T418 HydrophobicContact CD1-CG2 4.41Å; L387-L429 HydrophobicContact CD2-CB 3.64Å; L387-Y431 HydrophobicContact CB-CD1 4.07Å; L387-L440 HydrophobicContact CD1-CD1 4.24Å; L387-L440 HydrophobicContact CD1-CD2 3.61Å
388E82.5Confident66.3Low113 Ų113101 Ų10153%0.52852%0.516SS..EExtended strand (participates in β ladder)trans-96.7155.4174.6-64.6-176.6159.200111.4C430 Y431 R443E388-C430 CarbonylContact O-C 3.52Å; E388-C430 WeakPolarHBondContact O-CA 3.47Å; E388-C430 WeakPolarHBondContact O-CB 3.49Å; E388-Y431 VanDerWaalsContact C-CD1 3.49Å; E388-Y431 WeakPolarHBondContact O-CD1 3.31Å; E388-Y431 PolarHBondContact O-N 2.76Å; E388-R443 IonicContact OE2-CZ 3.34Å; E388-R443 IonicContact OE2-NH1 3.79Å; E388-R443 PolarHBondContact OE2-NH1 3.15Å; E388-R443 VanDerWaalsContact OE2-NH1 3.15Å; E388-R443 IonicContact OE2-NH2 3.26Å; E388-R443 PolarHBondContact OE2-NH2 3.11Å
389R79Confident64.6Low99 Ų9997 Ų9737%0.37449%0.494SS..EExtended strand (participates in β ladder)trans-63.6145168.8-77.1-172.3152.2160.4-3.9110.5E414 Y431 R443R389-E414 IonicContact CZ-OE1 2.91Å; R389-E414 IonicContact CZ-OE2 2.65Å; R389-E414 IonicContact NH1-OE1 3.7Å; R389-E414 PolarHBondContact NH1-OE1 3.36Å; R389-E414 IonicContact NH1-OE2 3.81Å; R389-E414 PolarHBondContact NH1-OE2 3.47Å; R389-E414 IonicContact NH2-OE1 3.7Å; R389-E414 IonicContact NH2-OE2 2.95Å; R389-E414 PolarHBondContact NH2-OE2 3.34Å; R389-Y431 CarbonylContact C-O 3.41Å; R389-Y431 WeakPolarHBondContact CA-O 3.43Å; R389-Y431 HydrophobicContact CB-CE1 4.49Å; R389-Y431 HydrophobicContact CG-CD1 4.43Å; R389-Y431 HydrophobicContact CG-CD2 4.37Å; R389-Y431 HydrophobicContact CG-CE1 3.73Å; R389-Y431 HydrophobicContact CG-CE2 3.66Å; R389-Y431 WeakPolarHBondContact CG-OH 3.08Å; R389-R443 PolarHBondContact O-NH2 3.24Å
390C75.4Confident63.7Low9 Ų998.8 Ų98.86%0.06150%0.5CS..PPolyproline II helixtrans-69.6132.7165.8-54.20000109.1T392 L398 C430 Y431 V432C390-T392 PolarHBondContact O-N 3.01Å; C390-L398 HydrophobicContact CB-CD1 3.96Å; C390-C430 VanDerWaalsContact CA-SG 3.53Å; C390-C430 HydrophobicContact CB-CB 4Å; C390-C430 WeakPolarHBondContact CB-SG 3.37Å; C390-C430 WeakPolarHBondContact SG-CB 3.17Å; C390-C430 PolarHBondContact SG-O 2.96Å; C390-C430 CovalentContact SG-SG 2.05Å; C390-C430 PolarHBondContact SG-SG 3.16Å; C390-Y431 PolarHBondContact N-O 3.48Å; C390-Y431 PolarHBondContact SG-N 2.87Å; C390-V432 HydrophobicContact CB-CG2 3.72Å
391F66.9Low63.2Low114 Ų11490.7 Ų90.750%0.546%0.463SS..  trans-73.2108.8179.6-68.5-76.4000110.6E395 L398F391-E395 HydrophobicContact CB-CG 3.98Å; F391-E395 WeakPolarHBondContact CD2-OE1 3.46Å; F391-L398 WeakPolarHBondContact O-CD1 3.39Å
392T56.4Low63.2Low112 Ų11287.4 Ų87.469%0.68744%0.438SS*.  trans-91.8-9.5179540000114.1C390 L398C390-T392 PolarHBondContact O-N 3.01Å; T392-L398 HydrophobicContact CG2-CD1 4.47Å
393G47Very low63.1Low61 Ų6188.9 Ų88.963%0.62944%0.44SS*.SBendtrans-88.7-37-163.700000117
394N39.4Very low62.8Low171 Ų17182 Ų8291%0.91440%0.403SS*.SBendtrans-152.90.5-169-84.2-24.7000115.7
395E43Very low62.3Low96 Ų9681.1 Ų81.145%0.44941%0.408SS..  trans-87.3129.8175.6-60.4-171.6161.400110.2F391 T397 L398F391-E395 HydrophobicContact CB-CG 3.98Å; F391-E395 WeakPolarHBondContact CD2-OE1 3.46Å; E395-T397 WeakPolarHBondContact CB-OG1 3.39Å; E395-T397 PolarHBondContact O-N 3.18Å; E395-T397 PolarHBondContact OE2-OG1 3.18Å; E395-T397 VanDerWaalsContact OE2-OG1 3.12Å; E395-L398 PolarHBondContact O-N 3.01Å
396E44.2Very low61.5Low134 Ų13479.8 Ų79.863%0.62640%0.404SS*.G310 helixtrans-55.4-18.7172.7-66.7-179157.600112.9L398 Q399 V476E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 2.93Å; E396-Q399 VanDerWaalsContact O-CB 3.31Å; E396-Q399 WeakPolarHBondContact O-CB 3.38Å; E396-Q399 PolarHBondContact O-N 3.23Å; E396-V476 WeakPolarHBondContact O-CG2 3.1Å
397T45Very low60.8Low83 Ų8368.7 Ų68.751%0.50937%0.365SS..G310 helixtrans-63.5-26.3-176.237.20000114.7E395E395-T397 WeakPolarHBondContact CB-OG1 3.39Å; E395-T397 PolarHBondContact O-N 3.18Å; E395-T397 PolarHBondContact OE2-OG1 3.18Å; E395-T397 VanDerWaalsContact OE2-OG1 3.12Å
398L48.4Very low59.9Low28 Ų2869 Ų6915%0.14737%0.367CS..G310 helixtrans-109.919.5177.4-74.4173000113.7C390 F391 T392 E395 E396 F400 W521C390-L398 HydrophobicContact CB-CD1 3.96Å; F391-L398 WeakPolarHBondContact O-CD1 3.39Å; T392-L398 HydrophobicContact CG2-CD1 4.47Å; E395-L398 PolarHBondContact O-N 3.01Å; E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 2.93Å; L398-F400 WeakPolarHBondContact O-CD1 3.26Å; L398-F400 WeakPolarHBondContact O-CE1 3.29Å; L398-F400 PolarHBondContact O-N 3.09Å; L398-W521 HydrophobicContact CD2-CH2 3.33Å; L398-W521 HydrophobicContact CD2-CZ2 4.21Å; L398-W521 HydrophobicContact CD2-CZ3 3.97Å
399Q49.5Very low58.7Low80 Ų8064.4 Ų64.437%0.37435%0.347SS..  trans-70.5113.9-179.9-149169.118.200111E396 C401E396-Q399 VanDerWaalsContact O-CB 3.31Å; E396-Q399 WeakPolarHBondContact O-CB 3.38Å; E396-Q399 PolarHBondContact O-N 3.23Å; Q399-C401 PolarHBondContact O-N 3.32Å
400F61.1Low57.7Low98 Ų9862.9 Ų62.943%0.4335%0.349SS..  trans-69.5112.8-167.2-48.6-72.1000113.6L398 S470 E520L398-F400 WeakPolarHBondContact O-CD1 3.26Å; L398-F400 WeakPolarHBondContact O-CE1 3.29Å; L398-F400 PolarHBondContact O-N 3.09Å; F400-S470 PolarHBondContact O-OG 3.02Å; F400-E520 HydrophobicContact CD1-CG 3.64Å; F400-E520 WeakPolarHBondContact CD1-OE1 3.39Å; F400-E520 HydrophobicContact CE1-CG 4.15Å; F400-E520 WeakPolarHBondContact CE1-OE1 3.41Å; F400-E520 WeakPolarHBondContact CE1-OE2 3.42Å
401C65Low56.8Low8 Ų863.7 Ų63.75%0.05435%0.353CS..  trans-74.8-36.1-179.1-1710000113.3Q399 V469 S470 C477 L480Q399-C401 PolarHBondContact O-N 3.32Å; C401-V469 CarbonylContact O-C 3.51Å; C401-V469 VanDerWaalsContact O-CA 3.32Å; C401-V469 WeakPolarHBondContact O-CA 3.36Å; C401-V469 WeakPolarHBondContact O-CG1 3.22Å; C401-S470 PolarHBondContact O-N 3.28Å; C401-S470 PolarHBondContact O-OG 3.2Å; C401-C477 WeakPolarHBondContact CA-SG 3.25Å; C401-C477 HydrophobicContact CB-CB 3.54Å; C401-C477 WeakPolarHBondContact CB-SG 3.49Å; C401-C477 WeakPolarHBondContact SG-CA 3.4Å; C401-C477 WeakPolarHBondContact SG-CB 3.41Å; C401-C477 CovalentContact SG-SG 2.05Å; C401-C477 PolarHBondContact SG-SG 2.87Å; C401-L480 HydrophobicContact CB-CD2 3.59Å
402K70.6Confident56.2Low39 Ų3964.7 Ų64.717%0.1738%0.375CS..EExtended strand (participates in β ladder)trans-127.9150.1-179.1-67.5-174.1-178.9174.10112.1C467 S468 V469 E484K402-C467 HydrophobicContact CB-CB 4.48Å; K402-S468 CarbonylContact C-O 3.52Å; K402-S468 VanDerWaalsContact CA-O 3.24Å; K402-S468 WeakPolarHBondContact CA-O 3.37Å; K402-V469 HydrophobicContact CG-CG2 4.23Å; K402-E484 WeakPolarHBondContact CE-OE2 3.21Å; K402-E484 IonicContact NZ-OE1 3.91Å; K402-E484 PolarHBondContact NZ-OE1 3.35Å; K402-E484 IonicContact NZ-OE2 3.85Å; K402-E484 PolarHBondContact NZ-OE2 2.72Å
403K69Low56.5Low70 Ų7062.1 Ų62.130%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-125.5129.4174-177.2178.7177.9-175.20109.5C467 S468 E511 W516K403-C467 CarbonylContact O-C 3.08Å; K403-C467 WeakPolarHBondContact O-CA 3.45Å; K403-S468 PolarHBondContact N-O 3.32Å; K403-S468 PolarHBondContact O-N 3.14Å; K403-S468 PolarHBondContact O-OG 2.91Å; K403-E511 WeakPolarHBondContact CE-OE1 3.5Å; K403-E511 IonicContact NZ-OE1 2.66Å; K403-E511 PolarHBondContact NZ-OE1 2.81Å; K403-W516 HydrophobicContact CD-CZ2 4.35Å; K403-W516 HydrophobicContact CG-CD2 3.89Å; K403-W516 HydrophobicContact CG-CG 4.01Å; K403-W516 HydrophobicContact CG-CZ2 4.16Å
404C67Low57.1Low6 Ų665.9 Ų65.94%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-94.9173.2178.8-54.30000112.9E466 C467 W516 A519C404-E466 CarbonylContact C-O 3.49Å; C404-E466 WeakPolarHBondContact CA-O 3.45Å; C404-E466 WeakPolarHBondContact CB-O 3.29Å; C404-C467 HydrophobicContact CB-CB 4.02Å; C404-C467 WeakPolarHBondContact CB-SG 3.39Å; C404-C467 WeakPolarHBondContact SG-CB 3.23Å; C404-C467 CovalentContact SG-SG 2.02Å; C404-C467 PolarHBondContact SG-SG 2.71Å; C404-W516 HydrophobicContact CB-CE3 4.36Å; C404-W516 WeakPolarHBondContact O-CH2 3.18Å; C404-W516 WeakPolarHBondContact O-CZ3 3.49Å; C404-A519 HydrophobicContact CB-CB 4.15Å; C404-A519 WeakPolarHBondContact SG-CA 3.41Å; C404-A519 WeakPolarHBondContact SG-CB 3.24Å
405A63.7Low58.2Low50 Ų5058.9 Ų58.941%0.41333%0.326SS..SBendtrans-79.9-21175.100000113.7E466 W516A405-E466 HydrophobicContact CB-CB 4.33Å; A405-E466 PolarHBondContact N-O 3.16Å; A405-W516 VanDerWaalsContact C-CZ3 3.48Å
406V62.3Low59.1Low45 Ų4560.1 Ų60.127%0.27333%0.332SS..  trans-128.9141.4-178.7-69.90000111.1L465 T501 T518V406-L465 HydrophobicContact CG2-CD2 3.57Å; V406-T501 HydrophobicContact CB-CG2 3.86Å; V406-T501 HydrophobicContact CG2-CG2 3.69Å; V406-T518 PolarHBondContact O-OG1 2.83Å; V406-T518 VanDerWaalsContact O-OG1 3.12Å
407G60.7Low60.1Low10 Ų1053.7 Ų53.710%0.10330%0.302CS..  trans-148.9173.2-17800000112.3
408L61.6Low60.7Low23 Ų2351.3 Ų51.312%0.1229%0.287CS..EExtended strand (participates in β ladder)trans-88.9142.4174.9-64.3-178.1000110V410 Y437 F500 L514 T515 L517L408-V410 PolarHBondContact O-N 3Å; L408-Y437 HydrophobicContact CB-CD1 4.34Å; L408-Y437 HydrophobicContact CB-CE1 4.27Å; L408-Y437 HydrophobicContact CD1-CD1 3.69Å; L408-Y437 HydrophobicContact CD1-CE1 4.35Å; L408-Y437 HydrophobicContact CD1-CG 4.01Å; L408-F500 WeakPolarHBondContact CD2-O 3.39Å; L408-L514 CarbonylContact O-C 3.51Å; L408-L514 WeakPolarHBondContact O-CA 3.47Å; L408-T515 PolarHBondContact N-O 2.75Å; L408-T515 PolarHBondContact O-N 3.12Å; L408-L517 HydrophobicContact CB-CD1 3.96Å; L408-L517 HydrophobicContact CD1-CD1 3.79Å; L408-L517 HydrophobicContact CG-CD1 4.2Å
409P58Low61.8Low16 Ų1652.2 Ų52.210%0.10429%0.294CS..EExtended strand (participates in β ladder)trans-62.2135.6172.524.7-31.2000110.4P411 F509P409-P411 WeakPolarHBondContact O-CD 3.48Å; P409-F509 HydrophobicContact CB-CD1 3.74Å; P409-F509 HydrophobicContact CB-CD2 4.03Å; P409-F509 HydrophobicContact CB-CE1 3.49Å; P409-F509 VanDerWaalsContact CB-CE1 3.49Å; P409-F509 HydrophobicContact CB-CE2 3.8Å; P409-F509 HydrophobicContact CB-CG 4.01Å; P409-F509 HydrophobicContact CB-CZ 3.52Å; P409-F509 HydrophobicContact CG-CE2 4.3Å; P409-F509 HydrophobicContact CG-CZ 4.26Å
410V58.6Low63.1Low68 Ų6848.5 Ų48.541%0.41228%0.276SS..  trans-73.3112.7172.5-169.20000108.3L408 D513 T515L408-V410 PolarHBondContact O-N 3Å; V410-D513 WeakPolarHBondContact CG2-O 3.27Å; V410-D513 PolarHBondContact N-O 3.46Å; V410-T515 WeakPolarHBondContact CG2-OG1 3.16Å
411P55.1Low64.1Low25 Ų2543.8 Ų43.816%0.16226%0.256CS..  trans-70.4148.4177.3-15.232.5000110.3P409 S413 T434 S435 N436P409-P411 WeakPolarHBondContact O-CD 3.48Å; P411-S413 PolarHBondContact O-N 3.4Å; P411-T434 HydrophobicContact CG-CG2 4.42Å; P411-S435 WeakPolarHBondContact CB-OG 3.36Å; P411-N436 HydrophobicContact CG-CB 4.13Å
412S55.4Low64.9Low136 Ų13644 Ų4495%0.95126%0.256SS*.SBendtrans-73.5-6.6176.646.30000114.2
413S62.7Low65.5Low58 Ų5842.1 Ų42.141%0.40625%0.248SC..SBendtrans-123.3130.4-175.955.70000112P411 S435P411-S413 PolarHBondContact O-N 3.4Å; S413-S435 PolarHBondContact O-N 3Å; S413-S435 PolarHBondContact OG-OG 2.9Å
414E59.1Low65.9Low139 Ų13941.5 Ų41.565%0.6525%0.247SC*.  trans-85.8141.7172.7-63-174.2156.900110.9R389R389-E414 IonicContact CZ-OE1 2.91Å; R389-E414 IonicContact CZ-OE2 2.65Å; R389-E414 IonicContact NH1-OE1 3.7Å; R389-E414 PolarHBondContact NH1-OE1 3.36Å; R389-E414 IonicContact NH1-OE2 3.81Å; R389-E414 PolarHBondContact NH1-OE2 3.47Å; R389-E414 IonicContact NH2-OE1 3.7Å; R389-E414 IonicContact NH2-OE2 2.95Å; R389-E414 PolarHBondContact NH2-OE2 3.34Å
415V61.3Low66.4Low24 Ų2447.3 Ų47.315%0.14527%0.273CS..  trans-126.5145.1170.3179.40000108.2M417 S433V415-M417 PolarHBondContact O-N 3.07Å; V415-S433 WeakPolarHBondContact O-CB 3.46Å; V415-S433 PolarHBondContact O-OG 2.79Å
416E62.4Low67.4Low122 Ų12245.7 Ų45.757%0.5726%0.256SS*.  trans-77.5100.4176.4-72.4-168.6165.700111.9T418 T419E416-T418 PolarHBondContact O-N 3.01Å; E416-T419 HydrophobicContact CB-CG2 4.48Å; E416-T419 PolarHBondContact O-OG1 2.9Å
417M66.2Low68.4Low0 Ų047.8 Ų47.80%027%0.271CS..G310 helixtrans-60-27.8172.8173.4173.4-167.100113.5V415 T419 L420 V421 Y431 S433 L439 L440 Y452V415-M417 PolarHBondContact O-N 3.07Å; M417-T419 PolarHBondContact O-N 2.83Å; M417-L420 PolarHBondContact O-N 2.79Å; M417-V421 HydrophobicContact CE-CB 4.19Å; M417-V421 HydrophobicContact CE-CG2 3.93Å; M417-V421 PolarHBondContact O-N 2.64Å; M417-Y431 HydrophobicContact CB-CD2 4.35Å; M417-S433 VanDerWaalsContact CB-CB 3.44Å; M417-S433 VanDerWaalsContact CB-OG 3.3Å; M417-S433 WeakPolarHBondContact CB-OG 3.22Å; M417-S433 PolarHBondContact N-OG 2.79Å; M417-L439 PolarHBondContact SD-N 3.34Å; M417-L439 VanDerWaalsContact SD-O 3.4Å; M417-L440 HydrophobicContact CE-CD2 4.35Å; M417-L440 HydrophobicContact CE-CG 3.93Å; M417-L440 HydrophobicContact SD-CD2 4.23Å; M417-L440 HydrophobicContact SD-CG 4.42Å; M417-Y452 HydrophobicContact CB-CE1 3.79Å; M417-Y452 HydrophobicContact CE-CD1 3.34Å; M417-Y452 HydrophobicContact CE-CE1 3.78Å; M417-Y452 HydrophobicContact CE-CG 4.48Å; M417-Y452 HydrophobicContact CG-CD1 4Å; M417-Y452 HydrophobicContact CG-CE1 3.45Å; M417-Y452 VanDerWaalsContact CG-CE1 3.45Å; M417-Y452 HydrophobicContact SD-CD1 3.71Å; M417-Y452 HydrophobicContact SD-CE1 3.47Å; M417-Y452 WeakPolarHBondContact SD-CE1 3.38Å
418T57.4Low69.6Low33 Ų3350.5 Ų50.520%0.20228%0.283CS..G310 helixtrans-58.7-7.5-175.151.40000113.7L387 E416 V422 Y431L387-T418 HydrophobicContact CB-CG2 3.84Å; L387-T418 HydrophobicContact CD1-CG2 4.41Å; E416-T418 PolarHBondContact O-N 3.01Å; T418-V422 VanDerWaalsContact O-CG2 3.29Å; T418-V422 WeakPolarHBondContact O-CG2 3.35Å; T418-Y431 HydrophobicContact CG2-CD1 3.4Å; T418-Y431 HydrophobicContact CG2-CD2 4.42Å; T418-Y431 HydrophobicContact CG2-CE1 3.41Å; T418-Y431 VanDerWaalsContact CG2-CE1 3.41Å; T418-Y431 HydrophobicContact CG2-CE2 4.43Å; T418-Y431 HydrophobicContact CG2-CG 3.93Å
419T71.1Confident70.9Confident46 Ų4649.6 Ų49.628%0.28228%0.279SS..G310 helixtrans-95.6-26.2176.260.70000113.5E416 M417 L648E416-T419 HydrophobicContact CB-CG2 4.48Å; E416-T419 PolarHBondContact O-OG1 2.9Å; M417-T419 PolarHBondContact O-N 2.83Å; T419-L648 HydrophobicContact CG2-CD1 4.17Å; T419-L648 WeakPolarHBondContact O-CB 3.33Å; T419-L648 WeakPolarHBondContact OG1-CD1 3.31Å
420L76.3Confident72.2Confident2 Ų249 Ų491%0.0128%0.275CS..THydrogen-bonded Turntrans-85.1-40.5178.4-73.6169.1000112.4M417 Y452 N598 F645 F646M417-L420 PolarHBondContact O-N 2.79Å; L420-Y452 HydrophobicContact CD1-CD2 4.1Å; L420-Y452 HydrophobicContact CD1-CE1 4.37Å; L420-Y452 HydrophobicContact CD1-CE2 3.72Å; L420-N598 HydrophobicContact CD1-CB 3.9Å; L420-N598 HydrophobicContact CD2-CB 3.95Å; L420-F645 WeakPolarHBondContact O-CA 3.33Å; L420-F646 PolarHBondContact O-N 3.49Å; L420-F646 VanDerWaalsContact O-N 3.1Å
421V81.7Confident73.5Confident0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-131.8121.3179-167.60000108.7M417 L440 I554 L643 R644 F645M417-V421 HydrophobicContact CE-CB 4.19Å; M417-V421 HydrophobicContact CE-CG2 3.93Å; M417-V421 PolarHBondContact O-N 2.64Å; V421-L440 HydrophobicContact CB-CD1 4.02Å; V421-L440 HydrophobicContact CG1-CD1 3.53Å; V421-I554 HydrophobicContact CG2-CD1 4.3Å; V421-I554 HydrophobicContact CG2-CG2 4.41Å; V421-L643 HydrophobicContact CG1-CB 4.1Å; V421-L643 HydrophobicContact CG1-CD1 4.04Å; V421-L643 HydrophobicContact CG1-CD2 4.43Å; V421-L643 HydrophobicContact CG1-CG 4.43Å; V421-R644 CarbonylContact C-O 3.35Å; V421-R644 WeakPolarHBondContact CA-O 3.35Å; V421-F645 HydrophobicContact CG1-CD1 4.01Å; V421-F645 HydrophobicContact CG1-CE1 3.77Å; V421-F645 HydrophobicContact CG2-CD1 4.02Å; V421-F645 HydrophobicContact CG2-CE1 4.26Å
422V82.8Confident74.5Confident11 Ų1147 Ų477%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-116.4148.8-177.7-177.10000109.9H384 T418 L643 R644H384-V422 HydrophobicContact CB-CG1 3.55Å; H384-V422 VanDerWaalsContact CG-CG1 3.49Å; T418-V422 VanDerWaalsContact O-CG2 3.29Å; T418-V422 WeakPolarHBondContact O-CG2 3.35Å; V422-L643 CarbonylContact O-C 3.59Å; V422-L643 WeakPolarHBondContact O-CA 3.38Å; V422-R644 HydrophobicContact CB-CB 4.37Å; V422-R644 PolarHBondContact N-O 2.86Å; V422-R644 PolarHBondContact O-N 2.89Å
423S82.8Confident75.6Confident0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-91.1127.4170.3-173.90000110.7M385 R426M385-S423 WeakPolarHBondContact CB-O 3.39Å; M385-S423 PolarHBondContact N-O 3.47Å; M385-S423 VanDerWaalsContact N-O 3.11Å; S423-R426 WeakPolarHBondContact OG-CA 3.47Å; S423-R426 WeakPolarHBondContact OG-CB 3.2Å; S423-R426 PolarHBondContact OG-N 3.47Å; S423-R426 PolarHBondContact OG-O 3.47Å
424E77Confident76Confident58 Ų5838.8 Ų38.827%0.27120%0.202SC..SBendtrans-95.3-38.6170.8-70.6-166.9149.500112G642 R644E424-G642 PolarHBondContact N-O 3.34Å; E424-R644 HydrophobicContact CG-CB 4.05Å; E424-R644 VanDerWaalsContact OE1-CD 3.29Å; E424-R644 WeakPolarHBondContact OE1-CD 3.49Å; E424-R644 IonicContact OE1-CZ 3.02Å; E424-R644 IonicContact OE1-NE 3.66Å; E424-R644 IonicContact OE1-NH1 3.86Å; E424-R644 PolarHBondContact OE1-NH1 2.58Å
425Q78Confident76.4Confident127 Ų12732.9 Ų32.959%0.59318%0.176SC*.SBendtrans-124.2-6.7-167.8-60.2-1763.200113.8P427Q425-P427 WeakPolarHBondContact O-CD 3.24Å
426R85.3Confident76.8Confident16 Ų1635.4 Ų35.46%0.0619%0.188CC..  trans-112104.3-167.9-59.5-179.763.5-1760.5111.5S423 L429 D442 S449 F567 S641S423-R426 WeakPolarHBondContact OG-CA 3.47Å; S423-R426 WeakPolarHBondContact OG-CB 3.2Å; S423-R426 PolarHBondContact OG-N 3.47Å; S423-R426 PolarHBondContact OG-O 3.47Å; R426-L429 HydrophobicContact CB-CD1 3.77Å; R426-L429 HydrophobicContact CB-CD2 4.43Å; R426-L429 HydrophobicContact CB-CG 3.8Å; R426-D442 IonicContact CZ-OD2 3.56Å; R426-D442 IonicContact NE-OD2 3.25Å; R426-D442 IonicContact NH2-OD2 3.13Å; R426-D442 PolarHBondContact NH2-OD2 2.99Å; R426-S449 VanDerWaalsContact CZ-OG 3.25Å; R426-S449 PolarHBondContact NH1-OG 2.99Å; R426-S449 PolarHBondContact NH2-OG 2.9Å; R426-F567 HydrophobicContact CG-CD1 4.47Å; R426-F567 HydrophobicContact CG-CE1 3.94Å; R426-F567 HydrophobicContact CG-CZ 4.03Å; R426-S641 WeakPolarHBondContact CD-O 3.24Å; R426-S641 PolarHBondContact NH1-O 3.44Å
427P83.1Confident77.6Confident89 Ų8929.9 Ų29.958%0.57816%0.162SC*.THydrogen-bonded Turntrans-76.2-25.5-173.828-34.6000114.5M385 Q425 L429M385-P427 HydrophobicContact CE-CB 3.77Å; Q425-P427 WeakPolarHBondContact O-CD 3.24Å; P427-L429 VanDerWaalsContact C-N 3.32Å; P427-L429 PolarHBondContact O-N 2.89Å
428N86.6Confident78.3Confident68 Ų6829.9 Ų29.936%0.36416%0.162SC..THydrogen-bonded Turntrans-93.714.3-168.3-61.5-44000113.9R443 N444N428-R443 WeakPolarHBondContact O-CB 3.36Å; N428-R443 PolarHBondContact O-N 3.45Å; N428-N444 HydrophobicContact CB-CB 4.11Å
429L88.4Confident79.6Confident4 Ų428.3 Ų28.32%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-81.7138.4-179.2-60.4-171000111L387 R426 P427 L440 F441 D442 S449 L643L387-L429 HydrophobicContact CD2-CB 3.64Å; R426-L429 HydrophobicContact CB-CD1 3.77Å; R426-L429 HydrophobicContact CB-CD2 4.43Å; R426-L429 HydrophobicContact CB-CG 3.8Å; P427-L429 VanDerWaalsContact C-N 3.32Å; P427-L429 PolarHBondContact O-N 2.89Å; L429-L440 HydrophobicContact CD1-CD1 4.28Å; L429-F441 CarbonylContact C-O 3.46Å; L429-F441 WeakPolarHBondContact CA-O 3.38Å; L429-D442 HydrophobicContact CD2-CB 3.67Å; L429-S449 VanDerWaalsContact CD2-OG 3.26Å; L429-S449 WeakPolarHBondContact CD2-OG 3.49Å; L429-L643 HydrophobicContact CD1-CD2 3.67Å
430C85.5Confident80.4Confident3 Ų326.1 Ų26.12%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-125.1159.8165.269.40000110.3E388 C390 L440 F441 R443E388-C430 CarbonylContact O-C 3.52Å; E388-C430 WeakPolarHBondContact O-CA 3.47Å; E388-C430 WeakPolarHBondContact O-CB 3.49Å; C390-C430 VanDerWaalsContact CA-SG 3.53Å; C390-C430 HydrophobicContact CB-CB 4Å; C390-C430 WeakPolarHBondContact CB-SG 3.37Å; C390-C430 WeakPolarHBondContact SG-CB 3.17Å; C390-C430 PolarHBondContact SG-O 2.96Å; C390-C430 CovalentContact SG-SG 2.05Å; C390-C430 PolarHBondContact SG-SG 3.16Å; C430-L440 CarbonylContact O-C 3.58Å; C430-L440 WeakPolarHBondContact O-CA 3.1Å; C430-F441 PolarHBondContact N-O 2.76Å; C430-F441 PolarHBondContact O-N 3.05Å; C430-R443 HydrophobicContact CB-CG 4.37Å
431Y84.2Confident80.8Confident20 Ų2027.4 Ų27.48%0.07815%0.145CC..EExtended strand (participates in β ladder)trans-118150.2-17977.5-88.2000113.4L387 E388 R389 C390 M417 T418 L439L387-Y431 HydrophobicContact CB-CD1 4.07Å; E388-Y431 VanDerWaalsContact C-CD1 3.49Å; E388-Y431 WeakPolarHBondContact O-CD1 3.31Å; E388-Y431 PolarHBondContact O-N 2.76Å; R389-Y431 CarbonylContact C-O 3.41Å; R389-Y431 WeakPolarHBondContact CA-O 3.43Å; R389-Y431 HydrophobicContact CB-CE1 4.49Å; R389-Y431 HydrophobicContact CG-CD1 4.43Å; R389-Y431 HydrophobicContact CG-CD2 4.37Å; R389-Y431 HydrophobicContact CG-CE1 3.73Å; R389-Y431 HydrophobicContact CG-CE2 3.66Å; R389-Y431 WeakPolarHBondContact CG-OH 3.08Å; C390-Y431 PolarHBondContact N-O 3.48Å; C390-Y431 PolarHBondContact SG-N 2.87Å; M417-Y431 HydrophobicContact CB-CD2 4.35Å; T418-Y431 HydrophobicContact CG2-CD1 3.4Å; T418-Y431 HydrophobicContact CG2-CD2 4.42Å; T418-Y431 HydrophobicContact CG2-CE1 3.41Å; T418-Y431 VanDerWaalsContact CG2-CE1 3.41Å; T418-Y431 HydrophobicContact CG2-CE2 4.43Å; T418-Y431 HydrophobicContact CG2-CG 3.93Å; Y431-L439 VanDerWaalsContact CA-O 3.22Å; Y431-L439 WeakPolarHBondContact CA-O 3.33Å
432V78Confident81Confident32 Ų3227.6 Ų27.619%0.19415%0.146CC..EExtended strand (participates in β ladder)trans-125.1130.1162.1179.80000106.7C390 G438 L439C390-V432 HydrophobicContact CB-CG2 3.72Å; V432-G438 CarbonylContact O-C 3.58Å; V432-G438 WeakPolarHBondContact O-CA 3.41Å; V432-L439 HydrophobicContact CB-CD1 4.14Å; V432-L439 HydrophobicContact CB-CD2 4.47Å; V432-L439 HydrophobicContact CB-CG 4.02Å; V432-L439 HydrophobicContact CG2-CD1 4.21Å; V432-L439 PolarHBondContact N-O 2.88Å; V432-L439 PolarHBondContact O-N 2.05Å
433S76.8Confident80.9Confident7 Ų731.6 Ų31.65%0.04916%0.16CC..EExtended strand (participates in β ladder)trans-147.2144.5-174-174.40000112.7V415 M417 Y452V415-S433 WeakPolarHBondContact O-CB 3.46Å; V415-S433 PolarHBondContact O-OG 2.79Å; M417-S433 VanDerWaalsContact CB-CB 3.44Å; M417-S433 VanDerWaalsContact CB-OG 3.3Å; M417-S433 WeakPolarHBondContact CB-OG 3.22Å; M417-S433 PolarHBondContact N-OG 2.79Å; S433-Y452 PolarHBondContact OG-OH 3.4Å
434T71.2Confident80.8Confident14 Ų1436.2 Ų36.29%0.08619%0.185CC..  trans-134.8-178.2174.272.20000109.1P411 N436 Y437 Y452P411-T434 HydrophobicContact CG-CG2 4.42Å; T434-N436 VanDerWaalsContact C-N 3.28Å; T434-N436 PolarHBondContact O-N 3.5Å; T434-N436 PolarHBondContact OG1-N 2.92Å; T434-Y437 HydrophobicContact CG2-CD2 4.49Å; T434-Y437 HydrophobicContact CG2-CE1 3.79Å; T434-Y437 HydrophobicContact CG2-CE2 3.76Å; T434-Y437 WeakPolarHBondContact CG2-OH 3.38Å; T434-Y437 PolarHBondContact N-O 2.82Å; T434-Y437 VanDerWaalsContact OG1-CD1 3.26Å; T434-Y437 WeakPolarHBondContact OG1-CD1 3.37Å; T434-Y437 VanDerWaalsContact OG1-CE1 3.29Å; T434-Y437 WeakPolarHBondContact OG1-CE1 3.07Å; T434-Y437 PolarHBondContact OG1-N 3.38Å; T434-Y437 PolarHBondContact OG1-O 3.48Å; T434-Y452 PolarHBondContact O-OH 2.95Å
435S67.9Low80.8Confident15 Ų1534.2 Ų34.211%0.10518%0.176CC..SBendtrans-69-19.5173.853.90000115.2P411 S413P411-S435 WeakPolarHBondContact CB-OG 3.36Å; S413-S435 PolarHBondContact O-N 3Å; S413-S435 PolarHBondContact OG-OG 2.9Å
436N70.2Confident80.8Confident76 Ų7631.8 Ų31.841%0.40617%0.174SC..SBendtrans-108.8-24.3-174.4-69.8-16.4000113.8P411 T434 A453 L454P411-N436 HydrophobicContact CG-CB 4.13Å; T434-N436 VanDerWaalsContact C-N 3.28Å; T434-N436 PolarHBondContact O-N 3.5Å; T434-N436 PolarHBondContact OG1-N 2.92Å; N436-A453 WeakPolarHBondContact O-CA 3.37Å; N436-L454 PolarHBondContact O-N 3.49Å; N436-L454 VanDerWaalsContact O-N 3.08Å
437Y78.4Confident80.6Confident6 Ų631.3 Ų31.32%0.02417%0.172CC..EExtended strand (participates in β ladder)trans-154.8162-17867.7-94.2000110.6L408 T434 Y452 L517L408-Y437 HydrophobicContact CB-CD1 4.34Å; L408-Y437 HydrophobicContact CB-CE1 4.27Å; L408-Y437 HydrophobicContact CD1-CD1 3.69Å; L408-Y437 HydrophobicContact CD1-CE1 4.35Å; L408-Y437 HydrophobicContact CD1-CG 4.01Å; T434-Y437 HydrophobicContact CG2-CD2 4.49Å; T434-Y437 HydrophobicContact CG2-CE1 3.79Å; T434-Y437 HydrophobicContact CG2-CE2 3.76Å; T434-Y437 WeakPolarHBondContact CG2-OH 3.38Å; T434-Y437 PolarHBondContact N-O 2.82Å; T434-Y437 VanDerWaalsContact OG1-CD1 3.26Å; T434-Y437 WeakPolarHBondContact OG1-CD1 3.37Å; T434-Y437 VanDerWaalsContact OG1-CE1 3.29Å; T434-Y437 WeakPolarHBondContact OG1-CE1 3.07Å; T434-Y437 PolarHBondContact OG1-N 3.38Å; T434-Y437 PolarHBondContact OG1-O 3.48Å; Y437-Y452 WeakPolarHBondContact CA-O 3.24Å; Y437-Y452 WeakPolarHBondContact CB-O 3.33Å; Y437-L517 HydrophobicContact CD1-CD1 3.81Å; Y437-L517 HydrophobicContact CD2-CD1 3.6Å; Y437-L517 HydrophobicContact CD2-CD2 4.4Å; Y437-L517 HydrophobicContact CE1-CD1 3.42Å; Y437-L517 VanDerWaalsContact CE1-CD1 3.42Å; Y437-L517 HydrophobicContact CE2-CD1 3.21Å; Y437-L517 HydrophobicContact CE2-CD2 3.69Å; Y437-L517 HydrophobicContact CE2-CG 4.05Å; Y437-L517 HydrophobicContact CG-CD1 3.91Å
438G82Confident80.7Confident0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-164170.516200000111.7V432 I451 Y452V432-G438 CarbonylContact O-C 3.58Å; V432-G438 WeakPolarHBondContact O-CA 3.41Å; G438-I451 CarbonylContact O-C 3.49Å; G438-I451 WeakPolarHBondContact O-CA 3.49Å; G438-Y452 VanDerWaalsContact N-CD1 3.34Å; G438-Y452 PolarHBondContact N-O 3.41Å; G438-Y452 VanDerWaalsContact O-CD1 3.24Å; G438-Y452 WeakPolarHBondContact O-CD1 3.14Å; G438-Y452 PolarHBondContact O-N 3.17Å
439L84.6Confident80.9Confident1 Ų124.2 Ų24.21%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-143.3153.2-177.361.491.9000112.4M417 Y431 V432 F441 L448 S450 I451 L517 W521M417-L439 PolarHBondContact SD-N 3.34Å; M417-L439 VanDerWaalsContact SD-O 3.4Å; Y431-L439 VanDerWaalsContact CA-O 3.22Å; Y431-L439 WeakPolarHBondContact CA-O 3.33Å; V432-L439 HydrophobicContact CB-CD1 4.14Å; V432-L439 HydrophobicContact CB-CD2 4.47Å; V432-L439 HydrophobicContact CB-CG 4.02Å; V432-L439 HydrophobicContact CG2-CD1 4.21Å; V432-L439 PolarHBondContact N-O 2.88Å; V432-L439 PolarHBondContact O-N 2.05Å; L439-F441 HydrophobicContact CD1-CB 3.93Å; L439-L448 HydrophobicContact CB-CD1 3.57Å; L439-L448 HydrophobicContact CD1-CD1 4.28Å; L439-L448 HydrophobicContact CG-CD1 4.35Å; L439-S450 CarbonylContact C-O 3.41Å; L439-S450 WeakPolarHBondContact CA-O 3.23Å; L439-S450 WeakPolarHBondContact CB-O 3.22Å; L439-I451 HydrophobicContact CB-CB 4.43Å; L439-I451 HydrophobicContact CB-CG1 4.47Å; L439-L517 HydrophobicContact CD2-CD2 4.47Å; L439-W521 HydrophobicContact CD1-CD2 4.43Å; L439-W521 HydrophobicContact CD1-CE3 4.39Å; L439-W521 HydrophobicContact CD1-CH2 4.29Å; L439-W521 HydrophobicContact CD1-CZ2 4.45Å; L439-W521 HydrophobicContact CD1-CZ3 4.33Å; L439-W521 HydrophobicContact CD2-CB 4.49Å; L439-W521 HydrophobicContact CD2-CD2 3.62Å; L439-W521 HydrophobicContact CD2-CE3 4.36Å; L439-W521 HydrophobicContact CD2-CG 3.64Å; L439-W521 HydrophobicContact CD2-CZ2 4.05Å
440L87.8Confident81.1Confident0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-105.1123.3163.1-63.2-175.1000109.1L387 M417 V421 L429 C430 L448 S449 S450 L643L387-L440 HydrophobicContact CD1-CD1 4.24Å; L387-L440 HydrophobicContact CD1-CD2 3.61Å; M417-L440 HydrophobicContact CE-CD2 4.35Å; M417-L440 HydrophobicContact CE-CG 3.93Å; M417-L440 HydrophobicContact SD-CD2 4.23Å; M417-L440 HydrophobicContact SD-CG 4.42Å; V421-L440 HydrophobicContact CB-CD1 4.02Å; V421-L440 HydrophobicContact CG1-CD1 3.53Å; L429-L440 HydrophobicContact CD1-CD1 4.28Å; C430-L440 CarbonylContact O-C 3.58Å; C430-L440 WeakPolarHBondContact O-CA 3.1Å; L440-L448 WeakPolarHBondContact O-CD1 3.39Å; L440-S449 WeakPolarHBondContact O-CB 3.17Å; L440-S449 PolarHBondContact O-N 3.42Å; L440-S450 PolarHBondContact N-O 3.43Å; L440-S450 PolarHBondContact O-N 2.71Å; L440-L643 HydrophobicContact CD1-CD2 3.84Å
441F85.2Confident81.2Confident29 Ų2924.6 Ų24.613%0.12713%0.131CC..EExtended strand (participates in β ladder)trans-112.1134.6177.2-174.4-104.9000110.2L429 C430 L439 S446 L447 W521L429-F441 CarbonylContact C-O 3.46Å; L429-F441 WeakPolarHBondContact CA-O 3.38Å; C430-F441 PolarHBondContact N-O 2.76Å; C430-F441 PolarHBondContact O-N 3.05Å; L439-F441 HydrophobicContact CD1-CB 3.93Å; F441-S446 VanDerWaalsContact CZ-CA 3.4Å; F441-L447 VanDerWaalsContact CD2-C 3.49Å; F441-L447 WeakPolarHBondContact CD2-O 3.24Å; F441-W521 HydrophobicContact CB-CZ3 4.27Å; F441-W521 AromaticContact CD2-CE3 3.78Å; F441-W521 HydrophobicContact CD2-CE3 3.78Å; F441-W521 HydrophobicContact CD2-CH2 4.45Å; F441-W521 AromaticContact CD2-CZ3 3.34Å; F441-W521 HydrophobicContact CD2-CZ3 3.34Å; F441-W521 HydrophobicContact CE2-CE3 4.07Å; F441-W521 AromaticContact CE2-CZ3 3.62Å; F441-W521 HydrophobicContact CE2-CZ3 3.62Å; F441-W521 AromaticContact CG-CZ3 3.83Å; F441-W521 HydrophobicContact CG-CZ3 3.83Å; F441-W521 HydrophobicContact CZ-CZ3 4.34Å
442D86.1Confident81.5Confident3 Ų323.7 Ų23.72%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-89.1112.8173.1-164.6-47000110.2R426 L429 N444 V445 S446 L447R426-D442 IonicContact CZ-OD2 3.56Å; R426-D442 IonicContact NE-OD2 3.25Å; R426-D442 IonicContact NH2-OD2 3.13Å; R426-D442 PolarHBondContact NH2-OD2 2.99Å; L429-D442 HydrophobicContact CD2-CB 3.67Å; D442-N444 PolarHBondContact O-N 3.04Å; D442-N444 WeakPolarHBondContact OD1-CA 3.37Å; D442-N444 WeakPolarHBondContact OD1-CB 3.49Å; D442-N444 PolarHBondContact OD1-N 3.22Å; D442-V445 HydrophobicContact CB-CG2 3.57Å; D442-V445 PolarHBondContact OD1-N 3.02Å; D442-S446 WeakPolarHBondContact O-CA 3.38Å; D442-S446 PolarHBondContact O-N 3.38Å; D442-L447 PolarHBondContact N-O 2.91Å; D442-L447 PolarHBondContact O-N 2.86Å
443R80.5Confident82Confident95 Ų9522.6 Ų22.636%0.35812%0.122SC..THydrogen-bonded Turntrans-65.5-28-179.2-64.5177.3177.8162.31.4112.2E388 R389 N428 C430E388-R443 IonicContact OE2-CZ 3.34Å; E388-R443 IonicContact OE2-NH1 3.79Å; E388-R443 PolarHBondContact OE2-NH1 3.15Å; E388-R443 VanDerWaalsContact OE2-NH1 3.15Å; E388-R443 IonicContact OE2-NH2 3.26Å; E388-R443 PolarHBondContact OE2-NH2 3.11Å; R389-R443 PolarHBondContact O-NH2 3.24Å; N428-R443 WeakPolarHBondContact O-CB 3.36Å; N428-R443 PolarHBondContact O-N 3.45Å; C430-R443 HydrophobicContact CB-CG 4.37Å
444N79.6Confident82.6Confident97 Ų9723.7 Ų23.752%0.51913%0.127SC..THydrogen-bonded Turntrans-77.4-50.8-175.9-167.932.6000111.1N428 D442 D570N428-N444 HydrophobicContact CB-CB 4.11Å; D442-N444 PolarHBondContact O-N 3.04Å; D442-N444 WeakPolarHBondContact OD1-CA 3.37Å; D442-N444 WeakPolarHBondContact OD1-CB 3.49Å; D442-N444 PolarHBondContact OD1-N 3.22Å; N444-D570 PolarHBondContact ND2-OD2 3.37Å
445V77.6Confident83.5Confident16 Ų1623 Ų2310%0.09712%0.123CC..THydrogen-bonded Turntrans-89.2-4.2-178-57.80000113.6D442 L447 D570 H578D442-V445 HydrophobicContact CB-CG2 3.57Å; D442-V445 PolarHBondContact OD1-N 3.02Å; V445-L447 VanDerWaalsContact C-N 3.28Å; V445-L447 HydrophobicContact CG2-CB 3.91Å; V445-L447 PolarHBondContact O-N 3.26Å; V445-D570 HydrophobicContact CG1-CB 4.31Å; V445-H578 VanDerWaalsContact CG1-NE2 3.27Å; V445-H578 WeakPolarHBondContact CG1-NE2 3.46Å
446S77.4Confident84.6Confident77 Ų7723.1 Ų23.154%0.53812%0.124SC..THydrogen-bonded Turntrans51.746.7-177-61.20000112.3F441 D442F441-S446 VanDerWaalsContact CZ-CA 3.4Å; D442-S446 WeakPolarHBondContact O-CA 3.38Å; D442-S446 PolarHBondContact O-N 3.38Å
447L81.8Confident85.6Confident6 Ų622.2 Ų22.23%0.03112%0.122CC..EExtended strand (participates in β ladder)trans-137.7151.1-179.3-170.566.7000110.6F441 D442 V445 P557 F559F441-L447 VanDerWaalsContact CD2-C 3.49Å; F441-L447 WeakPolarHBondContact CD2-O 3.24Å; D442-L447 PolarHBondContact N-O 2.91Å; D442-L447 PolarHBondContact O-N 2.86Å; V445-L447 VanDerWaalsContact C-N 3.28Å; V445-L447 HydrophobicContact CG2-CB 3.91Å; V445-L447 PolarHBondContact O-N 3.26Å; L447-P557 HydrophobicContact CD2-CG 4.26Å; L447-F559 HydrophobicContact CD2-CE2 4.28Å; L447-F559 HydrophobicContact CD2-CZ 3.71Å
448L85.9Confident86.1Confident4 Ų425.7 Ų25.72%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-63.2130.5168.8-176.170.7000111L439 L440 S450 I451 L497 W521 P557L439-L448 HydrophobicContact CB-CD1 3.57Å; L439-L448 HydrophobicContact CD1-CD1 4.28Å; L439-L448 HydrophobicContact CG-CD1 4.35Å; L440-L448 WeakPolarHBondContact O-CD1 3.39Å; L448-S450 VanDerWaalsContact CD1-O 3.24Å; L448-S450 WeakPolarHBondContact CD1-O 3.25Å; L448-I451 HydrophobicContact CD1-CB 4.33Å; L448-I451 HydrophobicContact CD2-CB 3.97Å; L448-I451 HydrophobicContact CD2-CG2 3.97Å; L448-L497 HydrophobicContact CD2-CD1 3.62Å; L448-L497 HydrophobicContact CD2-CG 4.4Å; L448-W521 HydrophobicContact CD1-CB 4.39Å; L448-W521 HydrophobicContact CD2-CB 4.23Å; L448-P557 VanDerWaalsContact O-CD 3.27Å; L448-P557 WeakPolarHBondContact O-CD 3.1Å; L448-P557 WeakPolarHBondContact O-CG 3.31Å
449S90.3Very high86.3Confident3 Ų326.6 Ų26.62%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-95.4-35.7173.2-63.40000112.1R426 L429 L440R426-S449 VanDerWaalsContact CZ-OG 3.25Å; R426-S449 PolarHBondContact NH1-OG 2.99Å; R426-S449 PolarHBondContact NH2-OG 2.9Å; L429-S449 VanDerWaalsContact CD2-OG 3.26Å; L429-S449 WeakPolarHBondContact CD2-OG 3.49Å; L440-S449 WeakPolarHBondContact O-CB 3.17Å; L440-S449 PolarHBondContact O-N 3.42Å
450S91.6Very high86.5Confident0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-161.1147175.2-178.60000110.3L439 L440 L448 I554 A555L439-S450 CarbonylContact C-O 3.41Å; L439-S450 WeakPolarHBondContact CA-O 3.23Å; L439-S450 WeakPolarHBondContact CB-O 3.22Å; L440-S450 PolarHBondContact N-O 3.43Å; L440-S450 PolarHBondContact O-N 2.71Å; L448-S450 VanDerWaalsContact CD1-O 3.24Å; L448-S450 WeakPolarHBondContact CD1-O 3.25Å; S450-I554 VanDerWaalsContact OG-CG2 3.23Å; S450-I554 WeakPolarHBondContact OG-CG2 3.28Å; S450-A555 CarbonylContact C-O 3.53Å; S450-A555 VanDerWaalsContact CA-O 3.29Å; S450-A555 WeakPolarHBondContact CA-O 3.26Å
451I89.1Confident86.5Confident16 Ų1629.2 Ų29.28%0.08217%0.167CC..EExtended strand (participates in β ladder)trans-126.2142.1166.7-175.6168.7000108.5G438 L439 L448 L497 L498 I554 A555G438-I451 CarbonylContact O-C 3.49Å; G438-I451 WeakPolarHBondContact O-CA 3.49Å; L439-I451 HydrophobicContact CB-CB 4.43Å; L439-I451 HydrophobicContact CB-CG1 4.47Å; L448-I451 HydrophobicContact CD1-CB 4.33Å; L448-I451 HydrophobicContact CD2-CB 3.97Å; L448-I451 HydrophobicContact CD2-CG2 3.97Å; I451-L497 HydrophobicContact CG2-CB 3.83Å; I451-L497 HydrophobicContact CG2-CD1 4.08Å; I451-L498 HydrophobicContact CG1-CD1 4.32Å; I451-L498 HydrophobicContact CG2-CD1 3.83Å; I451-L498 HydrophobicContact CG2-CG 3.9Å; I451-I554 CarbonylContact O-C 3.47Å; I451-I554 VanDerWaalsContact O-CA 3.25Å; I451-I554 WeakPolarHBondContact O-CA 3.25Å; I451-A555 HydrophobicContact CG2-CB 4.39Å; I451-A555 PolarHBondContact N-O 2.72Å; I451-A555 PolarHBondContact O-N 3.4Å
452Y89.5Confident86.4Confident0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-122.2150165.382.3-79.4000111.2M417 L420 S433 T434 Y437 G438 L552 T553M417-Y452 HydrophobicContact CB-CE1 3.79Å; M417-Y452 HydrophobicContact CE-CD1 3.34Å; M417-Y452 HydrophobicContact CE-CE1 3.78Å; M417-Y452 HydrophobicContact CE-CG 4.48Å; M417-Y452 HydrophobicContact CG-CD1 4Å; M417-Y452 HydrophobicContact CG-CE1 3.45Å; M417-Y452 VanDerWaalsContact CG-CE1 3.45Å; M417-Y452 HydrophobicContact SD-CD1 3.71Å; M417-Y452 HydrophobicContact SD-CE1 3.47Å; M417-Y452 WeakPolarHBondContact SD-CE1 3.38Å; L420-Y452 HydrophobicContact CD1-CD2 4.1Å; L420-Y452 HydrophobicContact CD1-CE1 4.37Å; L420-Y452 HydrophobicContact CD1-CE2 3.72Å; S433-Y452 PolarHBondContact OG-OH 3.4Å; T434-Y452 PolarHBondContact O-OH 2.95Å; Y437-Y452 WeakPolarHBondContact CA-O 3.24Å; Y437-Y452 WeakPolarHBondContact CB-O 3.33Å; G438-Y452 VanDerWaalsContact N-CD1 3.34Å; G438-Y452 PolarHBondContact N-O 3.41Å; G438-Y452 VanDerWaalsContact O-CD1 3.24Å; G438-Y452 WeakPolarHBondContact O-CD1 3.14Å; G438-Y452 PolarHBondContact O-N 3.17Å; Y452-L552 HydrophobicContact CD2-CD1 3.82Å; Y452-T553 CarbonylContact C-O 3.42Å; Y452-T553 WeakPolarHBondContact CA-O 3.3Å
453A88Confident85.8Confident9 Ų934.3 Ų34.37%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-150.3148.6171.300000110.5N436 I455 L498 T553N436-A453 WeakPolarHBondContact O-CA 3.37Å; A453-I455 HydrophobicContact CB-CD1 3.78Å; A453-I455 PolarHBondContact O-N 2.84Å; A453-L498 HydrophobicContact CB-CD1 4.08Å; A453-T553 PolarHBondContact N-O 2.88Å; A453-T553 PolarHBondContact O-N 3.12Å
454L89Confident85.3Confident31 Ų3137.2 Ų37.216%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-86.6105.1169-17264.5000109.3N436 N550 L552 W594N436-L454 PolarHBondContact O-N 3.49Å; N436-L454 VanDerWaalsContact O-N 3.08Å; L454-N550 HydrophobicContact CD1-CB 3.71Å; L454-N550 HydrophobicContact CD2-CB 4.16Å; L454-N550 HydrophobicContact CG-CB 3.82Å; L454-L552 HydrophobicContact CD1-CB 4.29Å; L454-W594 HydrophobicContact CD1-CB 4.33Å; L454-W594 HydrophobicContact CD1-CG 3.9Å; L454-W594 HydrophobicContact CD2-CB 4.34Å
455I90.6Very high84.8Confident0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-83.8124.7-175.5-52.3-48.9000109.8A453 Q459 F500 I541 A545 N550 V551 T553A453-I455 HydrophobicContact CB-CD1 3.78Å; A453-I455 PolarHBondContact O-N 2.84Å; I455-Q459 VanDerWaalsContact CA-OE1 3.28Å; I455-F500 HydrophobicContact CD1-CB 4.08Å; I455-F500 HydrophobicContact CD1-CD1 4.22Å; I455-F500 HydrophobicContact CD1-CD2 3.31Å; I455-F500 HydrophobicContact CD1-CE2 3.69Å; I455-F500 HydrophobicContact CD1-CG 3.62Å; I455-F500 HydrophobicContact CD1-CZ 4.29Å; I455-F500 HydrophobicContact CG1-CD2 4.08Å; I455-F500 HydrophobicContact CG1-CE1 4.43Å; I455-F500 HydrophobicContact CG1-CE2 3.96Å; I455-F500 HydrophobicContact CG1-CG 4.38Å; I455-F500 HydrophobicContact CG1-CZ 4.16Å; I455-F500 HydrophobicContact CG2-CD1 3.58Å; I455-F500 HydrophobicContact CG2-CE1 3.54Å; I455-F500 HydrophobicContact CG2-CG 4.12Å; I455-F500 HydrophobicContact CG2-CZ 4.06Å; I455-I541 HydrophobicContact CB-CG2 4.4Å; I455-I541 HydrophobicContact CG1-CG2 4.18Å; I455-I541 HydrophobicContact CG2-CG2 4.38Å; I455-A545 HydrophobicContact CG2-CB 4.23Å; I455-N550 CarbonylContact O-C 3.56Å; I455-N550 WeakPolarHBondContact O-CA 3.3Å; I455-V551 PolarHBondContact N-O 2.89Å; I455-V551 PolarHBondContact O-N 3.49Å; I455-T553 WeakPolarHBondContact CG1-OG1 3.49Å
456S90.8Very high84.4Confident16 Ų1641.2 Ų41.211%0.11223%0.227CC..  trans-105.1154.2-176.174.40000112.8S458 Q459 N550S456-S458 PolarHBondContact O-N 3.45Å; S456-S458 VanDerWaalsContact O-N 3.08Å; S456-S458 PolarHBondContact OG-OG 3.33Å; S456-Q459 PolarHBondContact O-N 2.74Å; S456-Q459 VanDerWaalsContact O-N 3.15Å; S456-Q459 WeakPolarHBondContact OG-CG 3.24Å; S456-N550 WeakPolarHBondContact CA-OD1 3.3Å
457P91.7Very high84.1Confident57 Ų5739.5 Ų39.537%0.3722%0.215SC..THydrogen-bonded Turntrans-55.8-26.4178.1-21.925.6000115A545 Q546 N550P457-A545 WeakPolarHBondContact CG-O 3.36Å; P457-Q546 HydrophobicContact CB-CG 4.47Å; P457-N550 WeakPolarHBondContact CD-OD1 3.43Å
458S88.6Confident83.6Confident79 Ų7942.9 Ų42.955%0.55224%0.239SC*.THydrogen-bonded Turntrans-85.2-7.9-176470000114.4S456S456-S458 PolarHBondContact O-N 3.45Å; S456-S458 VanDerWaalsContact O-N 3.08Å; S456-S458 PolarHBondContact OG-OG 3.33Å
459Q87.5Confident83Confident19 Ų1945.7 Ų45.79%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-77.3168.2179.2-76.6172.6-30.600112.2I455 S456 F500 T501 E502 L542I455-Q459 VanDerWaalsContact CA-OE1 3.28Å; S456-Q459 PolarHBondContact O-N 2.74Å; S456-Q459 VanDerWaalsContact O-N 3.15Å; S456-Q459 WeakPolarHBondContact OG-CG 3.24Å; Q459-F500 HydrophobicContact CB-CB 4.36Å; Q459-T501 CarbonylContact C-O 3.6Å; Q459-T501 WeakPolarHBondContact CA-O 3.32Å; Q459-T501 WeakPolarHBondContact CB-O 3.45Å; Q459-E502 HydrophobicContact CG-CG 3.97Å; Q459-L542 HydrophobicContact CB-CD1 4.39Å; Q459-L542 WeakPolarHBondContact O-CD1 3.3Å
460T87.7Confident81.9Confident36 Ų3647.9 Ų47.922%0.22127%0.272CS..EExtended strand (participates in β ladder)trans-133.1158173.947.60000110.5F500 T501 N503T460-F500 WeakPolarHBondContact O-CA 3.31Å; T460-T501 PolarHBondContact N-O 3.13Å; T460-T501 PolarHBondContact O-N 2.85Å; T460-T501 PolarHBondContact OG1-O 2.9Å; T460-T501 PolarHBondContact OG1-OG1 3Å; T460-T501 VanDerWaalsContact OG1-OG1 3.12Å; T460-N503 WeakPolarHBondContact CG2-ND2 3.33Å; T460-N503 PolarHBondContact OG1-OD1 3.08Å
461V88.1Confident80.5Confident20 Ų2053.1 Ų53.112%0.12130%0.296CS..  trans-113.4106.7173.8-177.40000107.7P499 F500 L535 L538 L542V461-P499 HydrophobicContact CG1-CG 4.19Å; V461-F500 HydrophobicContact CG2-CD1 3.4Å; V461-F500 HydrophobicContact CG2-CE1 3.23Å; V461-F500 HydrophobicContact CG2-CG 4.23Å; V461-F500 HydrophobicContact CG2-CZ 3.94Å; V461-L535 HydrophobicContact CG1-CD1 3.58Å; V461-L538 HydrophobicContact CG1-CB 3.93Å; V461-L538 HydrophobicContact CG1-CD1 4.03Å; V461-L538 HydrophobicContact CG2-CB 4.19Å; V461-L542 HydrophobicContact CG2-CD2 4.36Å
462P82.4Confident79Confident30 Ų3060.4 Ų60.420%0.19533%0.329CS..  trans-69.9144.8175.431-30.8000110.3L465 P499 T501P462-L465 HydrophobicContact CG-CD2 3.95Å; P462-L465 HydrophobicContact CG-CG 4.44Å; P462-P499 WeakPolarHBondContact CD-O 3.26Å; P462-T501 HydrophobicContact CG-CG2 4.26Å
463E74.9Confident77.8Confident110 Ų11069.9 Ų69.951%0.51437%0.371SS..SBendtrans-70.7-38.5175.6-59-167.9153.900111.3Y530 L535 R539E463-Y530 WeakPolarHBondContact O-CE1 3.5Å; E463-L535 HydrophobicContact CB-CD2 4.47Å; E463-L535 HydrophobicContact CG-CD2 4.17Å; E463-R539 IonicContact OE1-CZ 3.87Å; E463-R539 IonicContact OE1-NH2 2.84Å; E463-R539 PolarHBondContact OE1-NH2 3.02Å
464E69.5Low77Confident155 Ų15569.7 Ų69.772%0.72437%0.369SS*.SBendtrans-132.2143.7176-68.6-173.8172.700111
465L69.2Low76.3Confident38 Ų3872 Ų7220%0.19939%0.387CS..  trans-98.1113.8171.9-72.5163.5000108.7V406 P462 C467 A496 P499V406-L465 HydrophobicContact CG2-CD2 3.57Å; P462-L465 HydrophobicContact CG-CD2 3.95Å; P462-L465 HydrophobicContact CG-CG 4.44Å; L465-C467 PolarHBondContact O-N 2.92Å; L465-C467 VanDerWaalsContact O-N 3.12Å; L465-C467 PolarHBondContact O-SG 2.98Å; L465-C467 VanDerWaalsContact O-SG 3.33Å; L465-A496 HydrophobicContact CD1-CB 3.93Å; L465-P499 HydrophobicContact CD1-CB 4.08Å
466E68.9Low75.3Confident159 Ų15974.3 Ų74.374%0.74340%0.402SS*.  trans-70.6105.7171.8-68.5-175.2-179.600109.7C404 A405C404-E466 CarbonylContact C-O 3.49Å; C404-E466 WeakPolarHBondContact CA-O 3.45Å; C404-E466 WeakPolarHBondContact CB-O 3.29Å; A405-E466 HydrophobicContact CB-CB 4.33Å; A405-E466 PolarHBondContact N-O 3.16Å
467C71.6Confident74.5Confident42 Ų4273.6 Ų73.628%0.28440%0.396SS..EExtended strand (participates in β ladder)trans-126.7135.2-178.8-43.90000112.3K402 K403 C404 L465K402-C467 HydrophobicContact CB-CB 4.48Å; K403-C467 CarbonylContact O-C 3.08Å; K403-C467 WeakPolarHBondContact O-CA 3.45Å; C404-C467 HydrophobicContact CB-CB 4.02Å; C404-C467 WeakPolarHBondContact CB-SG 3.39Å; C404-C467 WeakPolarHBondContact SG-CB 3.23Å; C404-C467 CovalentContact SG-SG 2.02Å; C404-C467 PolarHBondContact SG-SG 2.71Å; L465-C467 PolarHBondContact O-N 2.92Å; L465-C467 VanDerWaalsContact O-N 3.12Å; L465-C467 PolarHBondContact O-SG 2.98Å; L465-C467 VanDerWaalsContact O-SG 3.33Å
468S71.6Confident73.9Confident76 Ų7675.4 Ų75.453%0.53140%0.403SS..EExtended strand (participates in β ladder)trans-115149.3179.7600000110.8K402 K403 S470K402-S468 CarbonylContact C-O 3.52Å; K402-S468 VanDerWaalsContact CA-O 3.24Å; K402-S468 WeakPolarHBondContact CA-O 3.37Å; K403-S468 PolarHBondContact N-O 3.32Å; K403-S468 PolarHBondContact O-N 3.14Å; K403-S468 PolarHBondContact O-OG 2.91Å; S468-S470 PolarHBondContact O-N 3.42Å
469V71.9Confident73.4Confident63 Ų6374.4 Ų74.438%0.38240%0.4SS..EExtended strand (participates in β ladder)trans-69.3122176.81770000109.3C401 K402 Q472C401-V469 CarbonylContact O-C 3.51Å; C401-V469 VanDerWaalsContact O-CA 3.32Å; C401-V469 WeakPolarHBondContact O-CA 3.36Å; C401-V469 WeakPolarHBondContact O-CG1 3.22Å; K402-V469 HydrophobicContact CG-CG2 4.23Å; V469-Q472 HydrophobicContact CG1-CG 4.11Å
470S67.1Low72.9Confident50 Ų5076 Ų7635%0.3541%0.409SS..  trans-91.3-31-176.1410000113.8F400 C401 S468F400-S470 PolarHBondContact O-OG 3.02Å; C401-S470 PolarHBondContact O-N 3.28Å; C401-S470 PolarHBondContact O-OG 3.2Å; S468-S470 PolarHBondContact O-N 3.42Å
471H63.2Low72.7Confident110 Ų11076.8 Ų76.851%0.50941%0.411SS..  trans-140.3110.3-176.6-93.3-85.9000111.8K473 C477H471-K473 VanDerWaalsContact C-N 3.35Å; H471-K473 PolarHBondContact O-N 3.17Å; H471-C477 PolarHBondContact O-SG 2.91Å
472Q57.6Low72.5Confident168 Ų16882.8 Ų82.879%0.78544%0.436SS*.SBendtrans-85.313.6-177.6-70.7-173.7-21.900115.3V469V469-Q472 HydrophobicContact CG1-CG 4.11Å
473K63.9Low72.6Confident199 Ų19984 Ų8487%0.86544%0.436SS*.  trans-139.731.9-168.6-64.5-171.2178.7-179.40116.1H471H471-K473 VanDerWaalsContact C-N 3.35Å; H471-K473 PolarHBondContact O-N 3.17Å
474S71.8Confident73.1Confident6 Ų680.4 Ų80.44%0.04242%0.419CS..  trans-115.8142.9166.888.30000111.3V476 C477 D478S474-V476 PolarHBondContact O-N 3.33Å; S474-C477 PolarHBondContact O-N 2.83Å; S474-C477 VanDerWaalsContact O-N 3.1Å; S474-C477 WeakPolarHBondContact OG-CB 3.32Å; S474-C477 PolarHBondContact OG-N 3.15Å; S474-D478 PolarHBondContact O-N 3.06Å
475S72.9Confident74.1Confident78 Ų7878.5 Ų78.555%0.54541%0.41SS..Hα-helixtrans-56.8-33.7175.353.90000112.3D478 A479S475-D478 PolarHBondContact O-N 3.37Å; S475-A479 WeakPolarHBondContact O-CB 3.35Å; S475-A479 PolarHBondContact O-N 3.3Å
476V70.4Confident75Confident50 Ų5079 Ų7930%0.30342%0.415SS..Hα-helixtrans-66.9-42.6176.1179.60000111.5E396 S474 A479 L480E396-V476 WeakPolarHBondContact O-CG2 3.1Å; S474-V476 PolarHBondContact O-N 3.33Å; V476-A479 PolarHBondContact O-N 3.46Å; V476-L480 PolarHBondContact O-N 2.95Å
477C74.7Confident76.1Confident0 Ų071.6 Ų71.60%038%0.38CS..Hα-helixtrans-67.5-38.8176.1-175.90000111.6C401 H471 S474 A479 L480 I481C401-C477 WeakPolarHBondContact CA-SG 3.25Å; C401-C477 HydrophobicContact CB-CB 3.54Å; C401-C477 WeakPolarHBondContact CB-SG 3.49Å; C401-C477 WeakPolarHBondContact SG-CA 3.4Å; C401-C477 WeakPolarHBondContact SG-CB 3.41Å; C401-C477 CovalentContact SG-SG 2.05Å; C401-C477 PolarHBondContact SG-SG 2.87Å; H471-C477 PolarHBondContact O-SG 2.91Å; S474-C477 PolarHBondContact O-N 2.83Å; S474-C477 VanDerWaalsContact O-N 3.1Å; S474-C477 WeakPolarHBondContact OG-CB 3.32Å; S474-C477 PolarHBondContact OG-N 3.15Å; C477-A479 VanDerWaalsContact C-N 3.34Å; C477-A479 PolarHBondContact O-N 3.01Å; C477-L480 PolarHBondContact O-N 3.43Å; C477-I481 WeakPolarHBondContact O-CG1 3.46Å; C477-I481 PolarHBondContact O-N 2.98Å
478D78.6Confident77Confident95 Ų9573.6 Ų73.651%0.50839%0.391SS..Hα-helixtrans-61.1-42.9173.8-70.2-24.9000111.7S474 S475 L480 I481 K482S474-D478 PolarHBondContact O-N 3.06Å; S475-D478 PolarHBondContact O-N 3.37Å; D478-L480 VanDerWaalsContact C-N 3.34Å; D478-L480 PolarHBondContact O-N 2.85Å; D478-I481 PolarHBondContact O-N 3.49Å; D478-K482 VanDerWaalsContact O-CB 3.31Å; D478-K482 WeakPolarHBondContact O-CB 3.48Å; D478-K482 PolarHBondContact O-N 3.36Å
479A78.1Confident77.9Confident59 Ų5980.1 Ų80.149%0.48840%0.404SS..Hα-helixtrans-62.3-40.8175.300000112S475 V476 C477 K482 R483S475-A479 WeakPolarHBondContact O-CB 3.35Å; S475-A479 PolarHBondContact O-N 3.3Å; V476-A479 PolarHBondContact O-N 3.46Å; C477-A479 VanDerWaalsContact C-N 3.34Å; C477-A479 PolarHBondContact O-N 3.01Å; A479-K482 PolarHBondContact O-N 3.09Å; A479-R483 WeakPolarHBondContact O-CB 3.32Å; A479-R483 PolarHBondContact O-N 3.01Å
480L77.5Confident78.8Confident53 Ų5382 Ų8228%0.27741%0.405SS..Hα-helixtrans-64.7-47.3176.4-173.870.8000112C401 V476 C477 D478 K482 R483 E484 L494C401-L480 HydrophobicContact CB-CD2 3.59Å; V476-L480 PolarHBondContact O-N 2.95Å; C477-L480 PolarHBondContact O-N 3.43Å; D478-L480 VanDerWaalsContact C-N 3.34Å; D478-L480 PolarHBondContact O-N 2.85Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 3.03Å; L480-R483 WeakPolarHBondContact O-CB 3.27Å; L480-R483 PolarHBondContact O-N 2.86Å; L480-R483 VanDerWaalsContact O-N 3.17Å; L480-E484 PolarHBondContact O-N 3.33Å; L480-L494 HydrophobicContact CD1-CD1 3.82Å
481I82.4Confident80.1Confident52 Ų5284.8 Ų84.827%0.26742%0.416SS..Hα-helixtrans-60.6-42.9177.6-69167.3000110.1C477 D478 R483 E484 Q485C477-I481 WeakPolarHBondContact O-CG1 3.46Å; C477-I481 PolarHBondContact O-N 2.98Å; D478-I481 PolarHBondContact O-N 3.49Å; I481-R483 VanDerWaalsContact C-N 3.35Å; I481-R483 PolarHBondContact O-N 3.15Å; I481-E484 PolarHBondContact O-N 3.18Å; I481-Q485 WeakPolarHBondContact O-CG 3.5Å; I481-Q485 PolarHBondContact O-N 3.41Å
482K85Confident81.5Confident146 Ų14679.6 Ų79.664%0.63539%0.392SS*.Hα-helixtrans-62-42175.8-174.5179.3178.4-176.40111.7D478 A479 L480 Q485 V486D478-K482 VanDerWaalsContact O-CB 3.31Å; D478-K482 WeakPolarHBondContact O-CB 3.48Å; D478-K482 PolarHBondContact O-N 3.36Å; A479-K482 PolarHBondContact O-N 3.09Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 3.03Å; K482-Q485 PolarHBondContact O-N 3.2Å; K482-V486 WeakPolarHBondContact O-CG2 3.29Å; K482-V486 PolarHBondContact O-N 3.12Å; K482-V486 VanDerWaalsContact O-N 3.12Å
483R84.8Confident83.1Confident55 Ų5573.5 Ų73.521%0.20837%0.368CS..Hα-helixtrans-61.7-47.4175.3-176.2176.9-178.8172.3-0.4111.1A479 L480 I481 Q485 V486 L487 H578A479-R483 WeakPolarHBondContact O-CB 3.32Å; A479-R483 PolarHBondContact O-N 3.01Å; L480-R483 WeakPolarHBondContact O-CB 3.27Å; L480-R483 PolarHBondContact O-N 2.86Å; L480-R483 VanDerWaalsContact O-N 3.17Å; I481-R483 VanDerWaalsContact C-N 3.35Å; I481-R483 PolarHBondContact O-N 3.15Å; R483-Q485 VanDerWaalsContact C-N 3.32Å; R483-Q485 PolarHBondContact O-N 3.1Å; R483-V486 PolarHBondContact O-N 3.2Å; R483-L487 HydrophobicContact CG-CD1 3.97Å; R483-L487 HydrophobicContact CG-CG 4.38Å; R483-L487 VanDerWaalsContact O-CG 3.31Å; R483-L487 WeakPolarHBondContact O-CG 3.5Å; R483-L487 PolarHBondContact O-N 3.35Å; R483-H578 PolarHBondContact NH2-O 3.49Å
484E85.6Confident84.2Confident34 Ų3464.8 Ų64.816%0.15933%0.33CS..Hα-helixtrans-55.9-46.6175.7-74.3-174.4163.200111.1K402 L480 I481 V486 L487 T488 L494 R522K402-E484 WeakPolarHBondContact CE-OE2 3.21Å; K402-E484 IonicContact NZ-OE1 3.91Å; K402-E484 PolarHBondContact NZ-OE1 3.35Å; K402-E484 IonicContact NZ-OE2 3.85Å; K402-E484 PolarHBondContact NZ-OE2 2.72Å; L480-E484 PolarHBondContact O-N 3.33Å; I481-E484 PolarHBondContact O-N 3.18Å; E484-V486 VanDerWaalsContact C-N 3.32Å; E484-V486 PolarHBondContact O-N 3.47Å; E484-L487 PolarHBondContact O-N 2.89Å; E484-L487 VanDerWaalsContact O-N 3.16Å; E484-T488 PolarHBondContact O-N 2.88Å; E484-T488 PolarHBondContact O-OG1 3.17Å; E484-L494 HydrophobicContact CG-CD1 3.52Å; E484-L494 HydrophobicContact CG-CG 4.02Å; E484-R522 IonicContact OE1-CZ 3.16Å; E484-R522 IonicContact OE1-NH1 2.72Å; E484-R522 PolarHBondContact OE1-NH1 3.04Å; E484-R522 IonicContact OE1-NH2 2.73Å; E484-R522 PolarHBondContact OE1-NH2 2.78Å
485Q88.6Confident85Confident115 Ų11566.3 Ų66.354%0.53734%0.335SS..Hα-helixtrans-59.7-37.7177.6-71.9174.1-3.200113.8I481 K482 R483 R489I481-Q485 WeakPolarHBondContact O-CG 3.5Å; I481-Q485 PolarHBondContact O-N 3.41Å; K482-Q485 PolarHBondContact O-N 3.2Å; R483-Q485 VanDerWaalsContact C-N 3.32Å; R483-Q485 PolarHBondContact O-N 3.1Å; Q485-R489 WeakPolarHBondContact O-CG 3.29Å
486V89.8Confident85.6Confident50 Ų5062.8 Ų62.830%0.30331%0.311SS..Hα-helixtrans-68.4-43.1176.3171.90000110.7K482 R483 E484 R489K482-V486 WeakPolarHBondContact O-CG2 3.29Å; K482-V486 PolarHBondContact O-N 3.12Å; K482-V486 VanDerWaalsContact O-N 3.12Å; R483-V486 PolarHBondContact O-N 3.2Å; E484-V486 VanDerWaalsContact C-N 3.32Å; E484-V486 PolarHBondContact O-N 3.47Å; V486-R489 PolarHBondContact O-N 2.8Å
487L91.3Very high86.5Confident2 Ų260.5 Ų60.51%0.0130%0.297CS..Hα-helixtrans-68.2-41-179.7-67.2174.7000112.3R483 E484 R489 R490 I492 L494 P524 V579R483-L487 HydrophobicContact CG-CD1 3.97Å; R483-L487 HydrophobicContact CG-CG 4.38Å; R483-L487 VanDerWaalsContact O-CG 3.31Å; R483-L487 WeakPolarHBondContact O-CG 3.5Å; R483-L487 PolarHBondContact O-N 3.35Å; E484-L487 PolarHBondContact O-N 2.89Å; E484-L487 VanDerWaalsContact O-N 3.16Å; L487-R489 PolarHBondContact O-N 2.82Å; L487-R490 WeakPolarHBondContact O-CA 3.44Å; L487-R490 PolarHBondContact O-N 2.94Å; L487-I492 CarbonylContact C-O 3.07Å; L487-I492 HydrophobicContact CB-CB 4.02Å; L487-I492 HydrophobicContact CB-CG2 4.04Å; L487-I492 WeakPolarHBondContact CB-O 3.28Å; L487-I492 HydrophobicContact CD1-CG2 4.36Å; L487-I492 HydrophobicContact CD2-CB 4.34Å; L487-I492 HydrophobicContact CD2-CG2 3.94Å; L487-I492 HydrophobicContact CG-CG2 4.33Å; L487-I492 PolarHBondContact O-N 3.44Å; L487-I492 VanDerWaalsContact O-N 3.14Å; L487-L494 HydrophobicContact CD1-CD2 3.68Å; L487-L494 HydrophobicContact CD1-CG 4.24Å; L487-P524 HydrophobicContact CD1-CB 3.85Å; L487-P524 HydrophobicContact CD1-CG 3.95Å; L487-P524 HydrophobicContact CD2-CB 4.16Å; L487-V579 HydrophobicContact CD2-CG2 3.8Å
488T90.8Very high87.2Confident84 Ų8461 Ų6152%0.51530%0.3SS..Hα-helixtrans-57.9-33.2178.8-57.50000112E484 R490 N491 I492E484-T488 PolarHBondContact O-N 2.88Å; E484-T488 PolarHBondContact O-OG1 3.17Å; T488-R490 PolarHBondContact O-N 2.85Å; T488-R490 VanDerWaalsContact O-N 3.08Å; T488-N491 PolarHBondContact O-N 3.35Å; T488-N491 VanDerWaalsContact O-N 3.12Å; T488-I492 PolarHBondContact N-O 2.74Å
489R90.4Very high87.6Confident213 Ų21356.4 Ų56.480%0.80428%0.276SS*.THydrogen-bonded Turntrans-63.1-14.5174.8-66175.4-174.2-174.51.1113.8Q485 V486 L487Q485-R489 WeakPolarHBondContact O-CG 3.29Å; V486-R489 PolarHBondContact O-N 2.8Å; L487-R489 PolarHBondContact O-N 2.82Å
490R90.4Very high87.9Confident103 Ų10353.8 Ų53.839%0.38925%0.253SS..THydrogen-bonded Turntrans-111.212.5179.1-59.3-174.8-176.1163.98.9113L487 T488 I492 D577 R615L487-R490 WeakPolarHBondContact O-CA 3.44Å; L487-R490 PolarHBondContact O-N 2.94Å; T488-R490 PolarHBondContact O-N 2.85Å; T488-R490 VanDerWaalsContact O-N 3.08Å; R490-I492 HydrophobicContact CB-CD1 3.97Å; R490-I492 HydrophobicContact CB-CG1 4.17Å; R490-I492 PolarHBondContact O-N 2.88Å; R490-D577 IonicContact CZ-OD2 2.64Å; R490-D577 IonicContact NH1-OD2 2.72Å; R490-D577 PolarHBondContact NH1-OD2 3.2Å; R490-D577 IonicContact NH2-OD2 2.79Å; R490-D577 PolarHBondContact NH2-OD2 3.26Å; R490-R615 PolarHBondContact O-NH2 2.97Å
491N93.5Very high88Confident108 Ų10851.6 Ų51.658%0.57824%0.242SC*.THydrogen-bonded Turntrans55.540.8-170.6-59-15000112.2T488 Y526 D527T488-N491 PolarHBondContact O-N 3.35Å; T488-N491 VanDerWaalsContact O-N 3.12Å; N491-Y526 WeakPolarHBondContact O-CA 3.26Å; N491-D527 PolarHBondContact O-N 2.71Å
492I94.5Very high87.5Confident1 Ų153.1 Ų53.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-116.7129.8175.7-62.4171.4000107.7L487 T488 R490 P524 M525 Y526 V579L487-I492 CarbonylContact C-O 3.07Å; L487-I492 HydrophobicContact CB-CB 4.02Å; L487-I492 HydrophobicContact CB-CG2 4.04Å; L487-I492 WeakPolarHBondContact CB-O 3.28Å; L487-I492 HydrophobicContact CD1-CG2 4.36Å; L487-I492 HydrophobicContact CD2-CB 4.34Å; L487-I492 HydrophobicContact CD2-CG2 3.94Å; L487-I492 HydrophobicContact CG-CG2 4.33Å; L487-I492 PolarHBondContact O-N 3.44Å; L487-I492 VanDerWaalsContact O-N 3.14Å; T488-I492 PolarHBondContact N-O 2.74Å; R490-I492 HydrophobicContact CB-CD1 3.97Å; R490-I492 HydrophobicContact CB-CG1 4.17Å; R490-I492 PolarHBondContact O-N 2.88Å; I492-P524 HydrophobicContact CG2-CB 3.63Å; I492-M525 WeakPolarHBondContact CA-O 3.38Å; I492-M525 WeakPolarHBondContact CG2-O 3.5Å; I492-Y526 HydrophobicContact CD1-CD1 4.1Å; I492-Y526 HydrophobicContact CD1-CE1 3.63Å; I492-Y526 HydrophobicContact CG1-CD1 3.44Å; I492-Y526 VanDerWaalsContact CG1-CD1 3.44Å; I492-Y526 HydrophobicContact CG1-CE1 3.48Å; I492-Y526 VanDerWaalsContact CG1-CE1 3.48Å; I492-Y526 HydrophobicContact CG1-CG 4.25Å; I492-V579 HydrophobicContact CD1-CG1 4.01Å; I492-V579 HydrophobicContact CD1-CG2 3.88Å
493S90.6Very high86.3Confident40 Ų4051.9 Ų51.928%0.2825%0.248SC..EExtended strand (participates in β ladder)trans-118.9164.7173.7-56.50000110.4P524 M525 D527S493-P524 WeakPolarHBondContact O-CA 3.37Å; S493-M525 PolarHBondContact N-O 2.82Å; S493-M525 PolarHBondContact O-N 3.29Å; S493-D527 WeakPolarHBondContact CB-OD1 3.4Å; S493-D527 PolarHBondContact OG-OD1 3.34Å
494L87Confident84.8Confident16 Ų1657 Ų578%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-89.7113.5174.3-66.6-176.8000109.2L480 E484 L487 R522 P524L480-L494 HydrophobicContact CD1-CD1 3.82Å; E484-L494 HydrophobicContact CG-CD1 3.52Å; E484-L494 HydrophobicContact CG-CG 4.02Å; L487-L494 HydrophobicContact CD1-CD2 3.68Å; L487-L494 HydrophobicContact CD1-CG 4.24Å; L494-R522 HydrophobicContact CB-CB 3.83Å; L494-R522 WeakPolarHBondContact O-CD 3.21Å; L494-R522 PolarHBondContact O-NH1 3.3Å; L494-R522 VanDerWaalsContact O-NH1 3.08Å; L494-P524 HydrophobicContact CD2-CB 4.23Å; L494-P524 HydrophobicContact CD2-CG 3.82Å
495Y87.8Confident83Confident38 Ų3863.4 Ų63.415%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-113.5144.6179.6-71.7-84.7000112R522 C523 M525 D527 Y530Y495-R522 CarbonylContact O-C 3.5Å; Y495-R522 WeakPolarHBondContact O-CA 3.27Å; Y495-R522 WeakPolarHBondContact O-CB 3.11Å; Y495-C523 PolarHBondContact N-O 2.75Å; Y495-C523 PolarHBondContact O-N 3.06Å; Y495-M525 HydrophobicContact CD2-CB 3.82Å; Y495-M525 HydrophobicContact CE2-CB 4.46Å; Y495-D527 WeakPolarHBondContact CE2-OD1 3.38Å; Y495-D527 PolarHBondContact OH-OD1 3.31Å; Y495-D527 VanDerWaalsContact OH-OD1 3.13Å; Y495-Y530 AromaticContact CD1-CD1 3.53Å; Y495-Y530 HydrophobicContact CD1-CD1 3.53Å; Y495-Y530 AromaticContact CD1-CD2 3.44Å; Y495-Y530 HydrophobicContact CD1-CD2 3.44Å; Y495-Y530 VanDerWaalsContact CD1-CD2 3.44Å; Y495-Y530 AromaticContact CD1-CE1 3.62Å; Y495-Y530 HydrophobicContact CD1-CE1 3.62Å; Y495-Y530 AromaticContact CD1-CE2 3.52Å; Y495-Y530 HydrophobicContact CD1-CE2 3.52Å; Y495-Y530 AromaticContact CD1-CG 3.43Å; Y495-Y530 HydrophobicContact CD1-CG 3.43Å; Y495-Y530 VanDerWaalsContact CD1-CG 3.43Å; Y495-Y530 AromaticContact CD1-CZ 3.6Å; Y495-Y530 HydrophobicContact CD2-CD2 4.22Å; Y495-Y530 HydrophobicContact CD2-CG 4.09Å; Y495-Y530 AromaticContact CE1-CD1 3.28Å; Y495-Y530 HydrophobicContact CE1-CD1 3.28Å; Y495-Y530 HydrophobicContact CE1-CD2 4.07Å; Y495-Y530 AromaticContact CE1-CE1 3.57Å; Y495-Y530 HydrophobicContact CE1-CE1 3.57Å; Y495-Y530 HydrophobicContact CE1-CE2 4.3Å; Y495-Y530 AromaticContact CE1-CG 3.55Å; Y495-Y530 HydrophobicContact CE1-CG 3.55Å; Y495-Y530 HydrophobicContact CE2-CG 4.13Å; Y495-Y530 HydrophobicContact CG-CD1 4.27Å; Y495-Y530 AromaticContact CG-CD2 3.52Å; Y495-Y530 HydrophobicContact CG-CD2 3.52Å; Y495-Y530 AromaticContact CG-CE2 3.92Å; Y495-Y530 HydrophobicContact CG-CE2 3.92Å; Y495-Y530 AromaticContact CG-CG 3.71Å; Y495-Y530 HydrophobicContact CG-CG 3.71Å; Y495-Y530 AromaticContact CZ-CD1 3.82Å; Y495-Y530 AromaticContact CZ-CG 3.88Å
496A85.6Confident81.1Confident5 Ų560.6 Ų60.64%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-72.5138.2171.400000110.1L465 P499 T518 R522L465-A496 HydrophobicContact CD1-CB 3.93Å; A496-P499 HydrophobicContact CB-CB 4.09Å; A496-T518 WeakPolarHBondContact CB-O 3.47Å; A496-R522 HydrophobicContact CB-CG 4.29Å
497L90.1Very high79.2Confident1 Ų168.2 Ų68.21%0.00532%0.323CS..SBendtrans-71.4-40.6-179.5-75.2174.2000112.6L448 I451 M525 W534 L538 A555 Y583L448-L497 HydrophobicContact CD2-CD1 3.62Å; L448-L497 HydrophobicContact CD2-CG 4.4Å; I451-L497 HydrophobicContact CG2-CB 3.83Å; I451-L497 HydrophobicContact CG2-CD1 4.08Å; L497-M525 HydrophobicContact CD2-CE 3.26Å; L497-M525 HydrophobicContact CG-CE 4.35Å; L497-W534 HydrophobicContact CB-CZ2 4.35Å; L497-W534 HydrophobicContact CD2-CH2 4.18Å; L497-W534 HydrophobicContact CD2-CZ2 3.58Å; L497-W534 PolarHBondContact O-NE1 3.19Å; L497-L538 WeakPolarHBondContact O-CD2 3.09Å; L497-A555 HydrophobicContact CB-CB 4.15Å; L497-A555 HydrophobicContact CD1-CB 4.36Å; L497-Y583 HydrophobicContact CD2-CD1 3.56Å; L497-Y583 HydrophobicContact CD2-CE1 3.71Å
498L89.2Confident77.2Confident10 Ų1075.9 Ų75.95%0.05236%0.356CS..  trans-126.271.4-179.5-59.6-179.6000110.3I451 A453 F500 L538 T553 A555I451-L498 HydrophobicContact CG1-CD1 4.32Å; I451-L498 HydrophobicContact CG2-CD1 3.83Å; I451-L498 HydrophobicContact CG2-CG 3.9Å; A453-L498 HydrophobicContact CB-CD1 4.08Å; L498-F500 HydrophobicContact CB-CD2 4.01Å; L498-F500 HydrophobicContact CB-CE2 4.24Å; L498-F500 HydrophobicContact CD2-CE2 3.97Å; L498-F500 PolarHBondContact O-N 3.18Å; L498-L538 HydrophobicContact CD2-CD2 4.01Å; L498-T553 HydrophobicContact CD1-CG2 4.25Å; L498-T553 HydrophobicContact CD2-CG2 3.59Å; L498-A555 HydrophobicContact CD2-CB 4.04Å; L498-A555 HydrophobicContact CG-CB 4.25Å
499P86.2Confident75.3Confident0 Ų075.2 Ų75.20%035%0.346CS..  trans-76.234.6-175.733.2-35.1000113.4V461 P462 L465 A496 L538V461-P499 HydrophobicContact CG1-CG 4.19Å; P462-P499 WeakPolarHBondContact CD-O 3.26Å; L465-P499 HydrophobicContact CD1-CB 4.08Å; A496-P499 HydrophobicContact CB-CB 4.09Å; P499-L538 HydrophobicContact CG-CD1 3.77Å
500F85.7Confident73.6Confident3 Ų371.1 Ų71.11%0.01333%0.334CS..  trans-71.2133.6-179.4-64-93.5000110.9L408 I455 Q459 T460 V461 L498 L538 I541 L542L408-F500 WeakPolarHBondContact CD2-O 3.39Å; I455-F500 HydrophobicContact CD1-CB 4.08Å; I455-F500 HydrophobicContact CD1-CD1 4.22Å; I455-F500 HydrophobicContact CD1-CD2 3.31Å; I455-F500 HydrophobicContact CD1-CE2 3.69Å; I455-F500 HydrophobicContact CD1-CG 3.62Å; I455-F500 HydrophobicContact CD1-CZ 4.29Å; I455-F500 HydrophobicContact CG1-CD2 4.08Å; I455-F500 HydrophobicContact CG1-CE1 4.43Å; I455-F500 HydrophobicContact CG1-CE2 3.96Å; I455-F500 HydrophobicContact CG1-CG 4.38Å; I455-F500 HydrophobicContact CG1-CZ 4.16Å; I455-F500 HydrophobicContact CG2-CD1 3.58Å; I455-F500 HydrophobicContact CG2-CE1 3.54Å; I455-F500 HydrophobicContact CG2-CG 4.12Å; I455-F500 HydrophobicContact CG2-CZ 4.06Å; Q459-F500 HydrophobicContact CB-CB 4.36Å; T460-F500 WeakPolarHBondContact O-CA 3.31Å; V461-F500 HydrophobicContact CG2-CD1 3.4Å; V461-F500 HydrophobicContact CG2-CE1 3.23Å; V461-F500 HydrophobicContact CG2-CG 4.23Å; V461-F500 HydrophobicContact CG2-CZ 3.94Å; L498-F500 HydrophobicContact CB-CD2 4.01Å; L498-F500 HydrophobicContact CB-CE2 4.24Å; L498-F500 HydrophobicContact CD2-CE2 3.97Å; L498-F500 PolarHBondContact O-N 3.18Å; F500-L538 HydrophobicContact CE2-CD2 3.63Å; F500-L538 HydrophobicContact CZ-CB 4.21Å; F500-L538 HydrophobicContact CZ-CD2 3.83Å; F500-I541 HydrophobicContact CZ-CB 4.28Å; F500-I541 HydrophobicContact CZ-CG2 4.03Å; F500-L542 HydrophobicContact CE1-CB 4.12Å
501T78.5Confident71.8Confident8 Ų871.7 Ų71.75%0.04934%0.341CS..EExtended strand (participates in β ladder)trans-130.2158.4-178.263.50000110.5V406 Q459 T460 P462V406-T501 HydrophobicContact CB-CG2 3.86Å; V406-T501 HydrophobicContact CG2-CG2 3.69Å; Q459-T501 CarbonylContact C-O 3.6Å; Q459-T501 WeakPolarHBondContact CA-O 3.32Å; Q459-T501 WeakPolarHBondContact CB-O 3.45Å; T460-T501 PolarHBondContact N-O 3.13Å; T460-T501 PolarHBondContact O-N 2.85Å; T460-T501 PolarHBondContact OG1-O 2.9Å; T460-T501 PolarHBondContact OG1-OG1 3Å; T460-T501 VanDerWaalsContact OG1-OG1 3.12Å; P462-T501 HydrophobicContact CG-CG2 4.26Å
502E73.1Confident69.8Low83 Ų8375.6 Ų75.639%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-97.1130.2169.4-69.3-170.3-177.700110.3Q459 K504Q459-E502 HydrophobicContact CG-CG 3.97Å; E502-K504 PolarHBondContact O-N 3.11Å; E502-K504 VanDerWaalsContact O-N 3.16Å
503N58.6Low67.6Low121 Ų12178 Ų7865%0.64736%0.361SS*.SBendtrans-65.8-13.6178.1-88.3-15.1000114.2T460T460-N503 WeakPolarHBondContact CG2-ND2 3.33Å; T460-N503 PolarHBondContact OG1-OD1 3.08Å
504K53Low65.8Low162 Ų16277.4 Ų77.470%0.70435%0.354SS*.  trans-104.1101.9-175.9-65.3-175.2-179.31780109.6E502 T506E502-K504 PolarHBondContact O-N 3.11Å; E502-K504 VanDerWaalsContact O-N 3.16Å; K504-T506 HydrophobicContact CB-CG2 3.75Å; K504-T506 HydrophobicContact CD-CG2 4.44Å; K504-T506 PolarHBondContact O-N 2.9Å
505F48.7Very low64.3Low169 Ų16978.3 Ų78.374%0.74136%0.36SS*.  trans-54.878.3141-70.5-87.1000107.4
506T47.9Very low62.7Low55 Ų5578 Ų7834%0.33736%0.359SS..  trans-67.7149.2166.650.60000106.7K504 K508 F509K504-T506 HydrophobicContact CB-CG2 3.75Å; K504-T506 HydrophobicContact CD-CG2 4.44Å; K504-T506 PolarHBondContact O-N 2.9Å; T506-K508 PolarHBondContact O-N 3.14Å; T506-K508 WeakPolarHBondContact OG1-CB 3.36Å; T506-F509 PolarHBondContact O-N 2.87Å
507E50Low61.1Low210 Ų21078.2 Ų78.298%0.98136%0.359SS*.THydrogen-bonded Turntrans-51.6-6170.2-66.5179152.900113.8
508K49.1Very low59.4Low164 Ų16478.4 Ų78.471%0.71336%0.361SS*.THydrogen-bonded Turntrans-80.9-29.1-174.2-145.6179.6-175.3-174.90114.7T506T506-K508 PolarHBondContact O-N 3.14Å; T506-K508 WeakPolarHBondContact OG1-CB 3.36Å
509F51Low57.5Low70 Ų7078.1 Ų78.131%0.30736%0.359SS..  trans-126.9118.4-177.5-60.7-73.2000110.9P409 T506 D513 L514P409-F509 HydrophobicContact CB-CD1 3.74Å; P409-F509 HydrophobicContact CB-CD2 4.03Å; P409-F509 HydrophobicContact CB-CE1 3.49Å; P409-F509 VanDerWaalsContact CB-CE1 3.49Å; P409-F509 HydrophobicContact CB-CE2 3.8Å; P409-F509 HydrophobicContact CB-CG 4.01Å; P409-F509 HydrophobicContact CB-CZ 3.52Å; P409-F509 HydrophobicContact CG-CE2 4.3Å; P409-F509 HydrophobicContact CG-CZ 4.26Å; T506-F509 PolarHBondContact O-N 2.87Å; F509-D513 HydrophobicContact CB-CB 4.28Å; F509-D513 HydrophobicContact CD1-CB 4.09Å; F509-L514 HydrophobicContact CB-CD2 4.38Å
510K54.7Low56.3Low126 Ų12680.2 Ų80.255%0.54837%0.369SS..  trans-80.5163.3169.7-61.4-177.2-179.1-176.10109.4R512 D513K510-R512 HydrophobicContact CB-CG 3.98Å; K510-R512 PolarHBondContact O-N 3.42Å; K510-D513 VanDerWaalsContact CB-OD2 3.31Å; K510-D513 WeakPolarHBondContact CB-OD2 3.31Å; K510-D513 PolarHBondContact N-OD2 2.89Å; K510-D513 WeakPolarHBondContact O-CA 3.45Å; K510-D513 WeakPolarHBondContact O-CB 3.32Å; K510-D513 PolarHBondContact O-N 3.38Å
511E52.9Low55.5Low116 Ų11681 Ų8154%0.54237%0.372SS..G310 helixtrans-51.2-32.3175.9-171.8-176.7172.400113.9K403 D513 W516K403-E511 WeakPolarHBondContact CE-OE1 3.5Å; K403-E511 IonicContact NZ-OE1 2.66Å; K403-E511 PolarHBondContact NZ-OE1 2.81Å; E511-D513 VanDerWaalsContact C-N 3.3Å; E511-W516 HydrophobicContact CG-CH2 4.05Å; E511-W516 HydrophobicContact CG-CZ2 3.59Å
512R51.5Low55.5Low190 Ų19082.2 Ų82.272%0.71738%0.376SS*.G310 helixtrans-73.3-17.9174.969.7-177.6-174.6179.92.2114.4K510 L514K510-R512 HydrophobicContact CB-CG 3.98Å; K510-R512 PolarHBondContact O-N 3.42Å; R512-L514 VanDerWaalsContact C-N 3.31Å
513D49.3Very low56.3Low52 Ų5278.3 Ų78.328%0.27836%0.357SS..G310 helixtrans-93.45.6-179.3-48.8-38.4000111V410 F509 K510 E511V410-D513 WeakPolarHBondContact CG2-O 3.27Å; V410-D513 PolarHBondContact N-O 3.46Å; F509-D513 HydrophobicContact CB-CB 4.28Å; F509-D513 HydrophobicContact CD1-CB 4.09Å; K510-D513 VanDerWaalsContact CB-OD2 3.31Å; K510-D513 WeakPolarHBondContact CB-OD2 3.31Å; K510-D513 PolarHBondContact N-OD2 2.89Å; K510-D513 WeakPolarHBondContact O-CA 3.45Å; K510-D513 WeakPolarHBondContact O-CB 3.32Å; K510-D513 PolarHBondContact O-N 3.38Å; E511-D513 VanDerWaalsContact C-N 3.3Å
514L52.1Low57.9Low27 Ų2772.5 Ų72.514%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-104.3131.8175.4-58.3177000109.9L408 F509 R512 W516L408-L514 CarbonylContact O-C 3.51Å; L408-L514 WeakPolarHBondContact O-CA 3.47Å; F509-L514 HydrophobicContact CB-CD2 4.38Å; R512-L514 VanDerWaalsContact C-N 3.31Å; L514-W516 HydrophobicContact CD1-CH2 4.11Å; L514-W516 HydrophobicContact CD1-CZ3 4.33Å
515T55.3Low59.9Low34 Ų3464.8 Ų64.821%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-89.8129.3160.1-51.70000108.7L408 V410 L517L408-T515 PolarHBondContact N-O 2.75Å; L408-T515 PolarHBondContact O-N 3.12Å; V410-T515 WeakPolarHBondContact CG2-OG1 3.16Å; T515-L517 HydrophobicContact CG2-CD1 4.28Å; T515-L517 HydrophobicContact CG2-CD2 3.5Å; T515-L517 HydrophobicContact CG2-CG 3.49Å; T515-L517 VanDerWaalsContact CG2-CG 3.49Å; T515-L517 PolarHBondContact O-N 3.07Å
516W53.9Low62.2Low32 Ų3259 Ų5912%0.12127%0.267CS..  trans-80.241.4179.5-52.7100.6000111.8K403 C404 A405 E511 L514 T518 A519 E520K403-W516 HydrophobicContact CD-CZ2 4.35Å; K403-W516 HydrophobicContact CG-CD2 3.89Å; K403-W516 HydrophobicContact CG-CG 4.01Å; K403-W516 HydrophobicContact CG-CZ2 4.16Å; C404-W516 HydrophobicContact CB-CE3 4.36Å; C404-W516 WeakPolarHBondContact O-CH2 3.18Å; C404-W516 WeakPolarHBondContact O-CZ3 3.49Å; A405-W516 VanDerWaalsContact C-CZ3 3.48Å; E511-W516 HydrophobicContact CG-CH2 4.05Å; E511-W516 HydrophobicContact CG-CZ2 3.59Å; L514-W516 HydrophobicContact CD1-CH2 4.11Å; L514-W516 HydrophobicContact CD1-CZ3 4.33Å; W516-T518 PolarHBondContact O-N 3.15Å; W516-A519 HydrophobicContact CB-CB 4.03Å; W516-A519 WeakPolarHBondContact O-CA 3.48Å; W516-A519 WeakPolarHBondContact O-CB 3.33Å; W516-A519 PolarHBondContact O-N 3.4Å; W516-E520 VanDerWaalsContact O-CG 3.31Å; W516-E520 WeakPolarHBondContact O-CG 2.96Å; W516-E520 PolarHBondContact O-N 3.06Å
517L52.9Low64.4Low10 Ų1059 Ų595%0.05226%0.264CS..Hα-helixtrans-54.8-34.6-175.4-59.4153.2000112L408 Y437 L439 T515 A519 E520 W521L408-L517 HydrophobicContact CB-CD1 3.96Å; L408-L517 HydrophobicContact CD1-CD1 3.79Å; L408-L517 HydrophobicContact CG-CD1 4.2Å; Y437-L517 HydrophobicContact CD1-CD1 3.81Å; Y437-L517 HydrophobicContact CD2-CD1 3.6Å; Y437-L517 HydrophobicContact CD2-CD2 4.4Å; Y437-L517 HydrophobicContact CE1-CD1 3.42Å; Y437-L517 VanDerWaalsContact CE1-CD1 3.42Å; Y437-L517 HydrophobicContact CE2-CD1 3.21Å; Y437-L517 HydrophobicContact CE2-CD2 3.69Å; Y437-L517 HydrophobicContact CE2-CG 4.05Å; Y437-L517 HydrophobicContact CG-CD1 3.91Å; L439-L517 HydrophobicContact CD2-CD2 4.47Å; T515-L517 HydrophobicContact CG2-CD1 4.28Å; T515-L517 HydrophobicContact CG2-CD2 3.5Å; T515-L517 HydrophobicContact CG2-CG 3.49Å; T515-L517 VanDerWaalsContact CG2-CG 3.49Å; T515-L517 PolarHBondContact O-N 3.07Å; L517-A519 PolarHBondContact O-N 2.8Å; L517-E520 PolarHBondContact O-N 3.03Å; L517-E520 VanDerWaalsContact O-N 3.15Å; L517-W521 PolarHBondContact O-N 2.94Å
518T53.1Low66.5Low5 Ų550.5 Ų50.53%0.03123%0.228CC..Hα-helixtrans-63.7-27.5175.852.40000112.7V406 A496 W516V406-T518 PolarHBondContact O-OG1 2.83Å; V406-T518 VanDerWaalsContact O-OG1 3.12Å; A496-T518 WeakPolarHBondContact CB-O 3.47Å; W516-T518 PolarHBondContact O-N 3.15Å
519A51.1Low68.8Low3 Ų342.9 Ų42.93%0.02520%0.195CC..Hα-helixtrans-76.6-33.9172.200000113.1C404 W516 L517 R522C404-A519 HydrophobicContact CB-CB 4.15Å; C404-A519 WeakPolarHBondContact SG-CA 3.41Å; C404-A519 WeakPolarHBondContact SG-CB 3.24Å; W516-A519 HydrophobicContact CB-CB 4.03Å; W516-A519 WeakPolarHBondContact O-CA 3.48Å; W516-A519 WeakPolarHBondContact O-CB 3.33Å; W516-A519 PolarHBondContact O-N 3.4Å; L517-A519 PolarHBondContact O-N 2.8Å; A519-R522 PolarHBondContact O-NE 3.37Å
520E59.4Low71Confident45 Ų4539.7 Ų39.721%0.2118%0.181CC..Hα-helixtrans-94.4-40.6-159.1-67165.7-169.400112.1F400 W516 L517F400-E520 HydrophobicContact CD1-CG 3.64Å; F400-E520 WeakPolarHBondContact CD1-OE1 3.39Å; F400-E520 HydrophobicContact CE1-CG 4.15Å; F400-E520 WeakPolarHBondContact CE1-OE1 3.41Å; F400-E520 WeakPolarHBondContact CE1-OE2 3.42Å; W516-E520 VanDerWaalsContact O-CG 3.31Å; W516-E520 WeakPolarHBondContact O-CG 2.96Å; W516-E520 PolarHBondContact O-N 3.06Å; L517-E520 PolarHBondContact O-N 3.03Å; L517-E520 VanDerWaalsContact O-N 3.15Å
521W69Low72.9Confident19 Ų1937 Ų377%0.07217%0.171CC..SBendtrans-11176-167.5-47.6106000110.8L398 L439 F441 L448 L517L398-W521 HydrophobicContact CD2-CH2 3.33Å; L398-W521 HydrophobicContact CD2-CZ2 4.21Å; L398-W521 HydrophobicContact CD2-CZ3 3.97Å; L439-W521 HydrophobicContact CD1-CD2 4.43Å; L439-W521 HydrophobicContact CD1-CE3 4.39Å; L439-W521 HydrophobicContact CD1-CH2 4.29Å; L439-W521 HydrophobicContact CD1-CZ2 4.45Å; L439-W521 HydrophobicContact CD1-CZ3 4.33Å; L439-W521 HydrophobicContact CD2-CB 4.49Å; L439-W521 HydrophobicContact CD2-CD2 3.62Å; L439-W521 HydrophobicContact CD2-CE3 4.36Å; L439-W521 HydrophobicContact CD2-CG 3.64Å; L439-W521 HydrophobicContact CD2-CZ2 4.05Å; F441-W521 HydrophobicContact CB-CZ3 4.27Å; F441-W521 AromaticContact CD2-CE3 3.78Å; F441-W521 HydrophobicContact CD2-CE3 3.78Å; F441-W521 HydrophobicContact CD2-CH2 4.45Å; F441-W521 AromaticContact CD2-CZ3 3.34Å; F441-W521 HydrophobicContact CD2-CZ3 3.34Å; F441-W521 HydrophobicContact CE2-CE3 4.07Å; F441-W521 AromaticContact CE2-CZ3 3.62Å; F441-W521 HydrophobicContact CE2-CZ3 3.62Å; F441-W521 AromaticContact CG-CZ3 3.83Å; F441-W521 HydrophobicContact CG-CZ3 3.83Å; F441-W521 HydrophobicContact CZ-CZ3 4.34Å; L448-W521 HydrophobicContact CD1-CB 4.39Å; L448-W521 HydrophobicContact CD2-CB 4.23Å; L517-W521 PolarHBondContact O-N 2.94Å
522R80Confident74.9Confident34 Ų3435.5 Ų35.513%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-115.9146.9-173.3-60.4-176.2-69.6139.96.7111.4E484 L494 Y495 A496 A519E484-R522 IonicContact OE1-CZ 3.16Å; E484-R522 IonicContact OE1-NH1 2.72Å; E484-R522 PolarHBondContact OE1-NH1 3.04Å; E484-R522 IonicContact OE1-NH2 2.73Å; E484-R522 PolarHBondContact OE1-NH2 2.78Å; L494-R522 HydrophobicContact CB-CB 3.83Å; L494-R522 WeakPolarHBondContact O-CD 3.21Å; L494-R522 PolarHBondContact O-NH1 3.3Å; L494-R522 VanDerWaalsContact O-NH1 3.08Å; Y495-R522 CarbonylContact O-C 3.5Å; Y495-R522 WeakPolarHBondContact O-CA 3.27Å; Y495-R522 WeakPolarHBondContact O-CB 3.11Å; A496-R522 HydrophobicContact CB-CG 4.29Å; A519-R522 PolarHBondContact O-NE 3.37Å
523C89.2Confident77.1Confident0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-115.1149.7177.4-64.10000111.2Y495 M525 Y583Y495-C523 PolarHBondContact N-O 2.75Å; Y495-C523 PolarHBondContact O-N 3.06Å; C523-M525 PolarHBondContact O-N 2.79Å; C523-Y583 HydrophobicContact CB-CE1 3.66Å; C523-Y583 WeakPolarHBondContact CB-OH 3.14Å
524P92.8Very high79.4Confident0 Ų024.2 Ų24.20%012%0.116CC..EExtended strand (participates in β ladder)trans-65.4111.8175.8-18.530.9000112L487 I492 S493 L494 V579 P580 Y583 H613L487-P524 HydrophobicContact CD1-CB 3.85Å; L487-P524 HydrophobicContact CD1-CG 3.95Å; L487-P524 HydrophobicContact CD2-CB 4.16Å; I492-P524 HydrophobicContact CG2-CB 3.63Å; S493-P524 WeakPolarHBondContact O-CA 3.37Å; L494-P524 HydrophobicContact CD2-CB 4.23Å; L494-P524 HydrophobicContact CD2-CG 3.82Å; P524-V579 HydrophobicContact CB-CG2 4.37Å; P524-P580 WeakPolarHBondContact O-CD 3.31Å; P524-Y583 VanDerWaalsContact C-OH 3.25Å; P524-Y583 PolarHBondContact O-OH 3.22Å; P524-H613 PolarHBondContact O-CE1 3.44Å; P524-H613 VanDerWaalsContact O-CE1 3.27Å
525M95Very high81.5Confident0 Ų023.1 Ų23.10%011%0.111CC..EExtended strand (participates in β ladder)trans-124144173.2-58.8179.5-175.500112.1I492 S493 Y495 L497 C523 D527 F529 Y530 W534 Y583 H613I492-M525 WeakPolarHBondContact CA-O 3.38Å; I492-M525 WeakPolarHBondContact CG2-O 3.5Å; S493-M525 PolarHBondContact N-O 2.82Å; S493-M525 PolarHBondContact O-N 3.29Å; Y495-M525 HydrophobicContact CD2-CB 3.82Å; Y495-M525 HydrophobicContact CE2-CB 4.46Å; L497-M525 HydrophobicContact CD2-CE 3.26Å; L497-M525 HydrophobicContact CG-CE 4.35Å; C523-M525 PolarHBondContact O-N 2.79Å; M525-D527 PolarHBondContact O-N 3Å; M525-F529 HydrophobicContact CB-CD1 4.3Å; M525-F529 HydrophobicContact CG-CD1 4.32Å; M525-F529 HydrophobicContact SD-CD1 4.06Å; M525-F529 HydrophobicContact SD-CE1 4.14Å; M525-Y530 HydrophobicContact SD-CD2 3.96Å; M525-W534 HydrophobicContact CE-CD2 4.24Å; M525-W534 HydrophobicContact CE-CG 4.34Å; M525-W534 HydrophobicContact SD-CG 4.26Å; M525-Y583 HydrophobicContact CE-CD1 3.82Å; M525-Y583 HydrophobicContact CE-CD2 4.28Å; M525-Y583 HydrophobicContact CE-CE1 3.5Å; M525-Y583 HydrophobicContact CE-CE2 4Å; M525-Y583 HydrophobicContact CE-CG 4.18Å; M525-Y583 HydrophobicContact CG-CD2 4.49Å; M525-Y583 HydrophobicContact CG-CE1 4.39Å; M525-Y583 HydrophobicContact CG-CE2 3.59Å; M525-Y583 VanDerWaalsContact CG-OH 3.26Å; M525-Y583 WeakPolarHBondContact CG-OH 3.5Å; M525-Y583 HydrophobicContact SD-CE2 4.37Å; M525-H613 VanDerWaalsContact CA-NE2 3.29Å; M525-H613 WeakPolarHBondContact CA-NE2 3.12Å
526Y96.3Very high83.4Confident47 Ų4722.8 Ų22.818%0.18411%0.106CC..EExtended strand (participates in β ladder)trans-57.5133.3162.9-66.3-63.9000108.9N491 I492 S528 F529 Y530 H613 R615N491-Y526 WeakPolarHBondContact O-CA 3.26Å; I492-Y526 HydrophobicContact CD1-CD1 4.1Å; I492-Y526 HydrophobicContact CD1-CE1 3.63Å; I492-Y526 HydrophobicContact CG1-CD1 3.44Å; I492-Y526 VanDerWaalsContact CG1-CD1 3.44Å; I492-Y526 HydrophobicContact CG1-CE1 3.48Å; I492-Y526 VanDerWaalsContact CG1-CE1 3.48Å; I492-Y526 HydrophobicContact CG1-CG 4.25Å; Y526-S528 PolarHBondContact O-N 2.9Å; Y526-F529 WeakPolarHBondContact O-CB 3.49Å; Y526-F529 PolarHBondContact O-N 2.85Å; Y526-Y530 PolarHBondContact O-N 3.38Å; Y526-H613 AromaticContact CD2-CD2 3.64Å; Y526-H613 AromaticContact CD2-CE1 3.73Å; Y526-H613 AromaticContact CD2-NE2 3.23Å; Y526-H613 WeakPolarHBondContact CD2-NE2 3.36Å; Y526-H613 AromaticContact CE2-CE1 3.97Å; Y526-H613 AromaticContact CE2-NE2 3.91Å; Y526-H613 AromaticContact CG-NE2 3.79Å; Y526-H613 PolarHBondContact N-NE2 3.2Å; Y526-R615 HydrophobicContact CD1-CG 3.59Å; Y526-R615 HydrophobicContact CD2-CG 3.92Å; Y526-R615 HydrophobicContact CE1-CG 3.7Å; Y526-R615 VanDerWaalsContact CE1-NE 3.28Å; Y526-R615 HydrophobicContact CE2-CG 4.03Å; Y526-R615 HydrophobicContact CG-CG 3.72Å
527D93.6Very high85.6Confident54 Ų5421.2 Ų21.229%0.28910%0.1SC..Hα-helixtrans-57.8-38.7-178.8-56.6-30.2000110.7N491 S493 Y495 M525 Y530 Q531N491-D527 PolarHBondContact O-N 2.71Å; S493-D527 WeakPolarHBondContact CB-OD1 3.4Å; S493-D527 PolarHBondContact OG-OD1 3.34Å; Y495-D527 WeakPolarHBondContact CE2-OD1 3.38Å; Y495-D527 PolarHBondContact OH-OD1 3.31Å; Y495-D527 VanDerWaalsContact OH-OD1 3.13Å; M525-D527 PolarHBondContact O-N 3Å; D527-Y530 PolarHBondContact O-N 2.87Å; D527-Q531 WeakPolarHBondContact O-CB 3.48Å; D527-Q531 VanDerWaalsContact O-CG 3.28Å; D527-Q531 WeakPolarHBondContact O-CG 3.46Å; D527-Q531 PolarHBondContact O-N 2.88Å
528S95.2Very high87.6Confident33 Ų3320.8 Ų20.823%0.23110%0.097CC..Hα-helixtrans-65.7-37.8175.656.50000113.6Y526 K532 R615Y526-S528 PolarHBondContact O-N 2.9Å; S528-K532 WeakPolarHBondContact O-CB 3.08Å; S528-K532 VanDerWaalsContact O-CG 3.3Å; S528-K532 WeakPolarHBondContact O-CG 3.38Å; S528-K532 PolarHBondContact O-N 3.46Å; S528-R615 WeakPolarHBondContact CB-O 3.38Å; S528-R615 WeakPolarHBondContact OG-CA 3.21Å; S528-R615 PolarHBondContact OG-O 3.14Å
529F97.3Very high89.7Confident3 Ų325 Ų251%0.01311%0.113CC..Hα-helixtrans-63-47.9174.1175.8-95.3000110.7M525 Y526 Q531 V533 W534 Y583 I611 P612 H613 K614M525-F529 HydrophobicContact CB-CD1 4.3Å; M525-F529 HydrophobicContact CG-CD1 4.32Å; M525-F529 HydrophobicContact SD-CD1 4.06Å; M525-F529 HydrophobicContact SD-CE1 4.14Å; Y526-F529 WeakPolarHBondContact O-CB 3.49Å; Y526-F529 PolarHBondContact O-N 2.85Å; F529-Q531 PolarHBondContact O-N 3.12Å; F529-V533 HydrophobicContact CD2-CB 4.19Å; F529-V533 HydrophobicContact CD2-CG2 4.35Å; F529-V533 HydrophobicContact CE2-CB 4.16Å; F529-V533 HydrophobicContact CE2-CG1 4.06Å; F529-V533 HydrophobicContact CZ-CG1 4.41Å; F529-V533 WeakPolarHBondContact O-CA 3.34Å; F529-V533 WeakPolarHBondContact O-CB 3.43Å; F529-V533 PolarHBondContact O-N 3Å; F529-W534 HydrophobicContact CD1-CB 4.37Å; F529-W534 HydrophobicContact CE1-CB 4.07Å; F529-W534 HydrophobicContact CE1-CD2 4.43Å; F529-W534 HydrophobicContact CE1-CE3 4.01Å; F529-W534 HydrophobicContact CE1-CG 4.49Å; F529-W534 HydrophobicContact CZ-CE3 4.17Å; F529-W534 PolarHBondContact O-N 3.27Å; F529-Y583 AromaticContact CE1-CD2 3.73Å; F529-Y583 HydrophobicContact CE1-CD2 3.73Å; F529-Y583 HydrophobicContact CE1-CE2 4.29Å; F529-Y583 HydrophobicContact CE1-CG 4.42Å; F529-Y583 HydrophobicContact CZ-CD2 4.01Å; F529-I611 HydrophobicContact CE2-CG2 3.75Å; F529-I611 HydrophobicContact CZ-CB 4.44Å; F529-I611 HydrophobicContact CZ-CG2 4.05Å; F529-P612 VanDerWaalsContact CE2-O 3.25Å; F529-P612 WeakPolarHBondContact CE2-O 2.85Å; F529-H613 AromaticContact CD1-CD2 3.84Å; F529-H613 AromaticContact CG-CD2 3.69Å; F529-K614 WeakPolarHBondContact CB-O 3.33Å
530Y95.5Very high91.9Very high4 Ų425.2 Ų25.22%0.01611%0.114CC..Iπ-helixtrans-59-51.4179.8179.2-95.6000110.8E463 Y495 M525 Y526 D527 W534 L535E463-Y530 WeakPolarHBondContact O-CE1 3.5Å; Y495-Y530 AromaticContact CD1-CD1 3.53Å; Y495-Y530 HydrophobicContact CD1-CD1 3.53Å; Y495-Y530 AromaticContact CD1-CD2 3.44Å; Y495-Y530 HydrophobicContact CD1-CD2 3.44Å; Y495-Y530 VanDerWaalsContact CD1-CD2 3.44Å; Y495-Y530 AromaticContact CD1-CE1 3.62Å; Y495-Y530 HydrophobicContact CD1-CE1 3.62Å; Y495-Y530 AromaticContact CD1-CE2 3.52Å; Y495-Y530 HydrophobicContact CD1-CE2 3.52Å; Y495-Y530 AromaticContact CD1-CG 3.43Å; Y495-Y530 HydrophobicContact CD1-CG 3.43Å; Y495-Y530 VanDerWaalsContact CD1-CG 3.43Å; Y495-Y530 AromaticContact CD1-CZ 3.6Å; Y495-Y530 HydrophobicContact CD2-CD2 4.22Å; Y495-Y530 HydrophobicContact CD2-CG 4.09Å; Y495-Y530 AromaticContact CE1-CD1 3.28Å; Y495-Y530 HydrophobicContact CE1-CD1 3.28Å; Y495-Y530 HydrophobicContact CE1-CD2 4.07Å; Y495-Y530 AromaticContact CE1-CE1 3.57Å; Y495-Y530 HydrophobicContact CE1-CE1 3.57Å; Y495-Y530 HydrophobicContact CE1-CE2 4.3Å; Y495-Y530 AromaticContact CE1-CG 3.55Å; Y495-Y530 HydrophobicContact CE1-CG 3.55Å; Y495-Y530 HydrophobicContact CE2-CG 4.13Å; Y495-Y530 HydrophobicContact CG-CD1 4.27Å; Y495-Y530 AromaticContact CG-CD2 3.52Å; Y495-Y530 HydrophobicContact CG-CD2 3.52Å; Y495-Y530 AromaticContact CG-CE2 3.92Å; Y495-Y530 HydrophobicContact CG-CE2 3.92Å; Y495-Y530 AromaticContact CG-CG 3.71Å; Y495-Y530 HydrophobicContact CG-CG 3.71Å; Y495-Y530 AromaticContact CZ-CD1 3.82Å; Y495-Y530 AromaticContact CZ-CG 3.88Å; M525-Y530 HydrophobicContact SD-CD2 3.96Å; Y526-Y530 PolarHBondContact O-N 3.38Å; D527-Y530 PolarHBondContact O-N 2.87Å; Y530-W534 HydrophobicContact CD2-CB 4.16Å; Y530-W534 AromaticContact CD2-CD1 3.85Å; Y530-W534 HydrophobicContact CD2-CG 4.34Å; Y530-W534 AromaticContact CE2-CD1 3.88Å; Y530-W534 PolarHBondContact O-N 2.73Å; Y530-L535 VanDerWaalsContact O-CB 3.3Å; Y530-L535 WeakPolarHBondContact O-CB 2.94Å; Y530-L535 PolarHBondContact O-N 2.83Å
531Q94.7Very high93.7Very high69 Ų6923.1 Ų23.132%0.32210%0.104SC..Iπ-helixtrans-68.7-44.3-176.2-66.4-62.3-17.200113.2D527 F529D527-Q531 WeakPolarHBondContact O-CB 3.48Å; D527-Q531 VanDerWaalsContact O-CG 3.28Å; D527-Q531 WeakPolarHBondContact O-CG 3.46Å; D527-Q531 PolarHBondContact O-N 2.88Å; F529-Q531 PolarHBondContact O-N 3.12Å
532K95.5Very high95Very high85 Ų8523.3 Ų23.337%0.3711%0.106SC..Iπ-helixtrans-84.8-31-172.7-61.6-178.5-176.7-178.80113.3S528 E616 I617 R623S528-K532 WeakPolarHBondContact O-CB 3.08Å; S528-K532 VanDerWaalsContact O-CG 3.3Å; S528-K532 WeakPolarHBondContact O-CG 3.38Å; S528-K532 PolarHBondContact O-N 3.46Å; K532-E616 IonicContact NZ-OE1 3.86Å; K532-E616 IonicContact NZ-OE2 3.49Å; K532-E616 PolarHBondContact NZ-OE2 3.26Å; K532-I617 HydrophobicContact CB-CD1 4.17Å; K532-R623 WeakPolarHBondContact O-CD 3.37Å
533V97.8Very high95.7Very high5 Ų525 Ų253%0.0311%0.112CC..Iπ-helixtrans-117.7-57.8-171.1-176.80000111.7F529 Y536 L537 I611 I617 Y626 L627F529-V533 HydrophobicContact CD2-CB 4.19Å; F529-V533 HydrophobicContact CD2-CG2 4.35Å; F529-V533 HydrophobicContact CE2-CB 4.16Å; F529-V533 HydrophobicContact CE2-CG1 4.06Å; F529-V533 HydrophobicContact CZ-CG1 4.41Å; F529-V533 WeakPolarHBondContact O-CA 3.34Å; F529-V533 WeakPolarHBondContact O-CB 3.43Å; F529-V533 PolarHBondContact O-N 3Å; V533-Y536 WeakPolarHBondContact O-CB 3.18Å; V533-Y536 PolarHBondContact O-N 2.9Å; V533-L537 PolarHBondContact O-N 3.24Å; V533-I611 HydrophobicContact CG1-CD1 4.42Å; V533-I611 HydrophobicContact CG1-CG2 3.9Å; V533-I617 HydrophobicContact CG2-CD1 4.18Å; V533-I617 HydrophobicContact CG2-CG1 3.72Å; V533-Y626 HydrophobicContact CG1-CD1 4.13Å; V533-Y626 HydrophobicContact CG1-CE1 3.89Å; V533-Y626 HydrophobicContact CG2-CD1 4.25Å; V533-Y626 HydrophobicContact CG2-CE1 3.99Å; V533-L627 HydrophobicContact CG1-CD2 4.14Å
534W97.1Very high96.1Very high0 Ų025.1 Ų25.10%011%0.113CC..Iπ-helixtrans-67.1-46.9-170.9-162.4-107.4000112L497 M525 F529 Y530 Y536 L537 L538 A555 Y583 C585 I611L497-W534 HydrophobicContact CB-CZ2 4.35Å; L497-W534 HydrophobicContact CD2-CH2 4.18Å; L497-W534 HydrophobicContact CD2-CZ2 3.58Å; L497-W534 PolarHBondContact O-NE1 3.19Å; M525-W534 HydrophobicContact CE-CD2 4.24Å; M525-W534 HydrophobicContact CE-CG 4.34Å; M525-W534 HydrophobicContact SD-CG 4.26Å; F529-W534 HydrophobicContact CD1-CB 4.37Å; F529-W534 HydrophobicContact CE1-CB 4.07Å; F529-W534 HydrophobicContact CE1-CD2 4.43Å; F529-W534 HydrophobicContact CE1-CE3 4.01Å; F529-W534 HydrophobicContact CE1-CG 4.49Å; F529-W534 HydrophobicContact CZ-CE3 4.17Å; F529-W534 PolarHBondContact O-N 3.27Å; Y530-W534 HydrophobicContact CD2-CB 4.16Å; Y530-W534 AromaticContact CD2-CD1 3.85Å; Y530-W534 HydrophobicContact CD2-CG 4.34Å; Y530-W534 AromaticContact CE2-CD1 3.88Å; Y530-W534 PolarHBondContact O-N 2.73Å; W534-Y536 VanDerWaalsContact C-N 3.28Å; W534-Y536 PolarHBondContact O-N 3.32Å; W534-L537 HydrophobicContact CE3-CD2 4.17Å; W534-L537 HydrophobicContact CH2-CD2 4.46Å; W534-L537 HydrophobicContact CZ3-CD2 3.97Å; W534-L537 WeakPolarHBondContact O-CB 3.23Å; W534-L537 PolarHBondContact O-N 2.81Å; W534-L537 VanDerWaalsContact O-N 3.15Å; W534-L538 WeakPolarHBondContact O-CG 3.48Å; W534-L538 PolarHBondContact O-N 2.77Å; W534-A555 HydrophobicContact CH2-CB 4.09Å; W534-A555 HydrophobicContact CZ2-CB 3.94Å; W534-Y583 HydrophobicContact CZ3-CG 4.48Å; W534-C585 HydrophobicContact CH2-CB 4.02Å; W534-C585 HydrophobicContact CZ3-CB 4.44Å; W534-I611 HydrophobicContact CZ3-CD1 4.38Å
535L96Very high96.2Very high4 Ų425.1 Ų25.12%0.02111%0.113CC..Hα-helixtrans-62.8-35.8177.9-173.262000112V461 E463 Y530 L538 R539V461-L535 HydrophobicContact CG1-CD1 3.58Å; E463-L535 HydrophobicContact CB-CD2 4.47Å; E463-L535 HydrophobicContact CG-CD2 4.17Å; Y530-L535 VanDerWaalsContact O-CB 3.3Å; Y530-L535 WeakPolarHBondContact O-CB 2.94Å; Y530-L535 PolarHBondContact O-N 2.83Å; L535-L538 PolarHBondContact O-N 2.9Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 VanDerWaalsContact O-CG 3.29Å; L535-R539 WeakPolarHBondContact O-CG 3.19Å; L535-R539 PolarHBondContact O-N 2.82Å
536Y97.2Very high96.2Very high26 Ų2629.6 Ų29.610%0.10213%0.134CC..Hα-helixtrans-62.9-46.4173.2177.5-100.2000111.4V533 W534 L538 R539 L540 R623 L627V533-Y536 WeakPolarHBondContact O-CB 3.18Å; V533-Y536 PolarHBondContact O-N 2.9Å; W534-Y536 VanDerWaalsContact C-N 3.28Å; W534-Y536 PolarHBondContact O-N 3.32Å; Y536-L538 PolarHBondContact O-N 3.14Å; Y536-R539 PolarHBondContact O-N 3.06Å; Y536-L540 WeakPolarHBondContact O-CB 3.36Å; Y536-L540 PolarHBondContact O-N 2.89Å; Y536-R623 HydrophobicContact CD1-CB 3.7Å; Y536-R623 HydrophobicContact CD2-CB 4.28Å; Y536-R623 HydrophobicContact CE1-CB 3.69Å; Y536-R623 HydrophobicContact CE2-CB 4.27Å; Y536-R623 HydrophobicContact CG-CB 4.01Å; Y536-L627 HydrophobicContact CD1-CD1 3.64Å; Y536-L627 HydrophobicContact CD1-CG 4.35Å; Y536-L627 HydrophobicContact CE1-CD1 3.71Å; Y536-L627 HydrophobicContact CE1-CG 4.45Å
537L98.1Very high96.2Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-60.3-44.2174173.361.9000112.1V533 W534 R539 L540 I541 C585 F609 I611 L627V533-L537 PolarHBondContact O-N 3.24Å; W534-L537 HydrophobicContact CE3-CD2 4.17Å; W534-L537 HydrophobicContact CH2-CD2 4.46Å; W534-L537 HydrophobicContact CZ3-CD2 3.97Å; W534-L537 WeakPolarHBondContact O-CB 3.23Å; W534-L537 PolarHBondContact O-N 2.81Å; W534-L537 VanDerWaalsContact O-N 3.15Å; L537-R539 VanDerWaalsContact C-N 3.34Å; L537-R539 PolarHBondContact O-N 3.47Å; L537-L540 VanDerWaalsContact O-CB 3.31Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.78Å; L537-L540 VanDerWaalsContact O-N 3.14Å; L537-I541 HydrophobicContact CD1-CD1 4.18Å; L537-I541 HydrophobicContact CD1-CG1 4.29Å; L537-I541 HydrophobicContact CG-CD1 4.11Å; L537-I541 WeakPolarHBondContact O-CG1 3.44Å; L537-I541 PolarHBondContact O-N 2.82Å; L537-C585 HydrophobicContact CD2-CB 3.72Å; L537-F609 HydrophobicContact CD1-CD2 4.01Å; L537-F609 HydrophobicContact CD1-CE2 3.61Å; L537-F609 HydrophobicContact CD1-CZ 4Å; L537-F609 HydrophobicContact CD2-CD2 4.41Å; L537-I611 HydrophobicContact CD2-CD1 3.83Å; L537-L627 HydrophobicContact CB-CD1 4.09Å; L537-L627 HydrophobicContact CB-CD2 4.37Å; L537-L627 HydrophobicContact CD1-CD1 4.08Å
538L96.2Very high96.2Very high0 Ų030.9 Ų30.90%014%0.138CC..Hα-helixtrans-62.6-40.1178.3-66.7172.9000112.2V461 L497 L498 P499 F500 W534 L535 Y536 L540 I541 L542V461-L538 HydrophobicContact CG1-CB 3.93Å; V461-L538 HydrophobicContact CG1-CD1 4.03Å; V461-L538 HydrophobicContact CG2-CB 4.19Å; L497-L538 WeakPolarHBondContact O-CD2 3.09Å; L498-L538 HydrophobicContact CD2-CD2 4.01Å; P499-L538 HydrophobicContact CG-CD1 3.77Å; F500-L538 HydrophobicContact CE2-CD2 3.63Å; F500-L538 HydrophobicContact CZ-CB 4.21Å; F500-L538 HydrophobicContact CZ-CD2 3.83Å; W534-L538 WeakPolarHBondContact O-CG 3.48Å; W534-L538 PolarHBondContact O-N 2.77Å; L535-L538 PolarHBondContact O-N 2.9Å; Y536-L538 PolarHBondContact O-N 3.14Å; L538-L540 VanDerWaalsContact C-N 3.33Å; L538-I541 PolarHBondContact O-N 2.69Å; L538-L542 PolarHBondContact O-N 3Å
539R96.4Very high96.2Very high95 Ų9530.8 Ų30.836%0.35814%0.143SC..Hα-helixtrans-64.3-38.2173.2-72.8172.8-176.8178.33.1111.7E463 L535 Y536 L537 L542 R543E463-R539 IonicContact OE1-CZ 3.87Å; E463-R539 IonicContact OE1-NH2 2.84Å; E463-R539 PolarHBondContact OE1-NH2 3.02Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 VanDerWaalsContact O-CG 3.29Å; L535-R539 WeakPolarHBondContact O-CG 3.19Å; L535-R539 PolarHBondContact O-N 2.82Å; Y536-R539 PolarHBondContact O-N 3.06Å; L537-R539 VanDerWaalsContact C-N 3.34Å; L537-R539 PolarHBondContact O-N 3.47Å; R539-L542 PolarHBondContact O-N 2.86Å; R539-R543 WeakPolarHBondContact O-CB 3.32Å; R539-R543 PolarHBondContact O-N 2.68Å
540L97.3Very high96Very high7 Ų733.8 Ų33.84%0.03716%0.159CC..Hα-helixtrans-62.6-44.6174.5-173.968.3000111.5Y536 L537 L538 L542 R543 Y544 L627 L665 L668Y536-L540 WeakPolarHBondContact O-CB 3.36Å; Y536-L540 PolarHBondContact O-N 2.89Å; L537-L540 VanDerWaalsContact O-CB 3.31Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.78Å; L537-L540 VanDerWaalsContact O-N 3.14Å; L538-L540 VanDerWaalsContact C-N 3.33Å; L540-L542 PolarHBondContact O-N 2.99Å; L540-R543 WeakPolarHBondContact O-CB 3.37Å; L540-R543 PolarHBondContact O-N 3.36Å; L540-R543 VanDerWaalsContact O-N 3.17Å; L540-Y544 HydrophobicContact CD1-CE1 4.09Å; L540-Y544 HydrophobicContact CD1-CE2 4.27Å; L540-Y544 HydrophobicContact CD2-CE2 3.98Å; L540-Y544 HydrophobicContact CG-CD2 4.32Å; L540-Y544 HydrophobicContact CG-CE1 4.33Å; L540-Y544 HydrophobicContact CG-CE2 3.63Å; L540-Y544 WeakPolarHBondContact O-CD2 3.37Å; L540-Y544 PolarHBondContact O-N 3.33Å; L540-L627 HydrophobicContact CD2-CD1 4.17Å; L540-L665 HydrophobicContact CD2-CD1 3.82Å; L540-L668 HydrophobicContact CD1-CD1 3.89Å; L540-L668 HydrophobicContact CD1-CD2 3.62Å; L540-L668 HydrophobicContact CD1-CG 4.29Å
541I97.5Very high96Very high1 Ų133.6 Ų33.61%0.00516%0.158CC..Hα-helixtrans-61.8-43.9175.1-66.8169000111.1I455 F500 L537 L538 R543 Y544 A545 V551 T553 C585I455-I541 HydrophobicContact CB-CG2 4.4Å; I455-I541 HydrophobicContact CG1-CG2 4.18Å; I455-I541 HydrophobicContact CG2-CG2 4.38Å; F500-I541 HydrophobicContact CZ-CB 4.28Å; F500-I541 HydrophobicContact CZ-CG2 4.03Å; L537-I541 HydrophobicContact CD1-CD1 4.18Å; L537-I541 HydrophobicContact CD1-CG1 4.29Å; L537-I541 HydrophobicContact CG-CD1 4.11Å; L537-I541 WeakPolarHBondContact O-CG1 3.44Å; L537-I541 PolarHBondContact O-N 2.82Å; L538-I541 PolarHBondContact O-N 2.69Å; I541-R543 VanDerWaalsContact C-N 3.28Å; I541-R543 PolarHBondContact O-N 2.97Å; I541-Y544 WeakPolarHBondContact O-CB 3.49Å; I541-Y544 PolarHBondContact O-N 2.93Å; I541-A545 PolarHBondContact O-N 3.45Å; I541-V551 HydrophobicContact CG2-CG1 4.33Å; I541-T553 HydrophobicContact CD1-CG2 3.8Å; I541-T553 HydrophobicContact CG2-CG2 4.43Å; I541-T553 WeakPolarHBondContact CG2-OG1 3.03Å; I541-C585 VanDerWaalsContact CD1-SG 3.54Å
542L95.5Very high96Very high22 Ų2230.3 Ų30.312%0.11514%0.143CC..Hα-helixtrans-59.7-42.2174.5-176.458.4000111.3Q459 V461 F500 L538 R539 L540 Y544 A545 Q546Q459-L542 HydrophobicContact CB-CD1 4.39Å; Q459-L542 WeakPolarHBondContact O-CD1 3.3Å; V461-L542 HydrophobicContact CG2-CD2 4.36Å; F500-L542 HydrophobicContact CE1-CB 4.12Å; L538-L542 PolarHBondContact O-N 3Å; R539-L542 PolarHBondContact O-N 2.86Å; L540-L542 PolarHBondContact O-N 2.99Å; L542-Y544 VanDerWaalsContact C-N 3.33Å; L542-Y544 PolarHBondContact O-N 3.47Å; L542-A545 WeakPolarHBondContact O-CB 3.46Å; L542-A545 PolarHBondContact O-N 3.28Å; L542-A545 VanDerWaalsContact O-N 3.15Å; L542-Q546 WeakPolarHBondContact O-CG 3.45Å; L542-Q546 PolarHBondContact O-N 3.46Å
543R95.9Very high95.9Very high70 Ų7026.3 Ų26.326%0.26413%0.125SC..Hα-helixtrans-63.6-39.7177.1-17755.8178.2179.7-0.2111.7R539 L540 I541 A545 Q546 L547 L668R539-R543 WeakPolarHBondContact O-CB 3.32Å; R539-R543 PolarHBondContact O-N 2.68Å; L540-R543 WeakPolarHBondContact O-CB 3.37Å; L540-R543 PolarHBondContact O-N 3.36Å; L540-R543 VanDerWaalsContact O-N 3.17Å; I541-R543 VanDerWaalsContact C-N 3.28Å; I541-R543 PolarHBondContact O-N 2.97Å; R543-A545 VanDerWaalsContact C-N 3.33Å; R543-Q546 WeakPolarHBondContact O-CB 3.25Å; R543-Q546 PolarHBondContact O-N 3.24Å; R543-L547 HydrophobicContact CG-CD1 4.12Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 3.43Å; R543-L668 HydrophobicContact CB-CD2 4.46Å; R543-L668 HydrophobicContact CG-CD2 3.77Å
544Y97.2Very high95.8Very high3 Ų326.1 Ų26.11%0.01212%0.124CC..Hα-helixtrans-62.7-40.3171.7-64.2-32.7000112.3L540 I541 L542 Q546 L547 Y548 M607 L665 W666 L668L540-Y544 HydrophobicContact CD1-CE1 4.09Å; L540-Y544 HydrophobicContact CD1-CE2 4.27Å; L540-Y544 HydrophobicContact CD2-CE2 3.98Å; L540-Y544 HydrophobicContact CG-CD2 4.32Å; L540-Y544 HydrophobicContact CG-CE1 4.33Å; L540-Y544 HydrophobicContact CG-CE2 3.63Å; L540-Y544 WeakPolarHBondContact O-CD2 3.37Å; L540-Y544 PolarHBondContact O-N 3.33Å; I541-Y544 WeakPolarHBondContact O-CB 3.49Å; I541-Y544 PolarHBondContact O-N 2.93Å; L542-Y544 VanDerWaalsContact C-N 3.33Å; L542-Y544 PolarHBondContact O-N 3.47Å; Y544-Q546 VanDerWaalsContact C-N 3.27Å; Y544-Q546 PolarHBondContact O-N 3.21Å; Y544-L547 PolarHBondContact O-N 3.37Å; Y544-L547 VanDerWaalsContact O-N 3.16Å; Y544-Y548 HydrophobicContact CD1-CD2 4.24Å; Y544-Y548 AromaticContact CD1-CE2 3.94Å; Y544-Y548 HydrophobicContact CD1-CE2 3.94Å; Y544-Y548 WeakPolarHBondContact O-CB 3.39Å; Y544-Y548 WeakPolarHBondContact O-CD2 3.29Å; Y544-Y548 PolarHBondContact O-N 2.74Å; Y544-M607 HydrophobicContact CE2-SD 4.2Å; Y544-L665 WeakPolarHBondContact OH-CB 3.31Å; Y544-W666 HydrophobicContact CD1-CB 4.12Å; Y544-W666 HydrophobicContact CD1-CE3 4.13Å; Y544-W666 HydrophobicContact CD2-CD2 4.47Å; Y544-W666 AromaticContact CD2-CE3 3.41Å; Y544-W666 HydrophobicContact CD2-CE3 3.41Å; Y544-W666 VanDerWaalsContact CD2-CE3 3.41Å; Y544-W666 AromaticContact CD2-CZ3 3.82Å; Y544-W666 HydrophobicContact CD2-CZ3 3.82Å; Y544-W666 HydrophobicContact CE1-CB 3.59Å; Y544-W666 HydrophobicContact CE1-CE3 4.41Å; Y544-W666 VanDerWaalsContact CE1-O 3.27Å; Y544-W666 WeakPolarHBondContact CE1-O 3.43Å; Y544-W666 HydrophobicContact CE2-CB 4.36Å; Y544-W666 HydrophobicContact CE2-CD2 4.4Å; Y544-W666 AromaticContact CE2-CE3 3.72Å; Y544-W666 HydrophobicContact CE2-CE3 3.72Å; Y544-W666 HydrophobicContact CE2-CZ3 4.38Å; Y544-W666 AromaticContact CG-CE3 3.63Å; Y544-W666 HydrophobicContact CG-CE3 3.63Å; Y544-W666 HydrophobicContact CG-CZ3 4.21Å; Y544-W666 PolarHBondContact OH-N 3.42Å; Y544-W666 VanDerWaalsContact OH-N 3.13Å; Y544-W666 PolarHBondContact OH-O 3.38Å; Y544-L668 HydrophobicContact CD1-CD2 3.94Å; Y544-L668 HydrophobicContact CE1-CD2 3.44Å; Y544-L668 VanDerWaalsContact CE1-CD2 3.44Å; Y544-L668 HydrophobicContact CE1-CG 4.39Å
545A95.2Very high95.7Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-58.8-42.3174.800000111.5I455 P457 I541 L542 R543 L547 G549 V551I455-A545 HydrophobicContact CG2-CB 4.23Å; P457-A545 WeakPolarHBondContact CG-O 3.36Å; I541-A545 PolarHBondContact O-N 3.45Å; L542-A545 WeakPolarHBondContact O-CB 3.46Å; L542-A545 PolarHBondContact O-N 3.28Å; L542-A545 VanDerWaalsContact O-N 3.15Å; R543-A545 VanDerWaalsContact C-N 3.33Å; A545-L547 VanDerWaalsContact C-N 3.34Å; A545-L547 PolarHBondContact O-N 3.48Å; A545-G549 CarbonylContact C-O 3.59Å; A545-G549 WeakPolarHBondContact CA-O 3.23Å; A545-G549 CarbonylContact O-C 3.58Å; A545-G549 VanDerWaalsContact O-CA 3.29Å; A545-G549 WeakPolarHBondContact O-CA 3.46Å; A545-G549 PolarHBondContact O-N 2.82Å; A545-G549 VanDerWaalsContact O-O 3.09Å; A545-V551 HydrophobicContact CB-CG2 4.18Å
546Q95Very high95.7Very high94 Ų9425.9 Ų25.944%0.43912%0.123SC..Hα-helixtrans-64.6-33.6176.5-66.8168.2-5.100114P457 L542 R543 Y544P457-Q546 HydrophobicContact CB-CG 4.47Å; L542-Q546 WeakPolarHBondContact O-CG 3.45Å; L542-Q546 PolarHBondContact O-N 3.46Å; R543-Q546 WeakPolarHBondContact O-CB 3.25Å; R543-Q546 PolarHBondContact O-N 3.24Å; Y544-Q546 VanDerWaalsContact C-N 3.27Å; Y544-Q546 PolarHBondContact O-N 3.21Å
547L95.2Very high95.6Very high55 Ų5524.9 Ų24.929%0.28812%0.12SC..Hα-helixtrans-87.1-37.3-177-70.1170.3000113.2R543 Y544 A545 L668R543-L547 HydrophobicContact CG-CD1 4.12Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 3.43Å; Y544-L547 PolarHBondContact O-N 3.37Å; Y544-L547 VanDerWaalsContact O-N 3.16Å; A545-L547 VanDerWaalsContact C-N 3.34Å; A545-L547 PolarHBondContact O-N 3.48Å; L547-L668 HydrophobicContact CD1-CD2 4.36Å; L547-L668 WeakPolarHBondContact CD1-O 3.4Å
548Y95Very high95.5Very high72 Ų7224.9 Ų24.928%0.28212%0.12SC..Hα-helixtrans-118.33.8-166.7-57.7-65000113.7Y544 W666 P667Y544-Y548 HydrophobicContact CD1-CD2 4.24Å; Y544-Y548 AromaticContact CD1-CE2 3.94Å; Y544-Y548 HydrophobicContact CD1-CE2 3.94Å; Y544-Y548 WeakPolarHBondContact O-CB 3.39Å; Y544-Y548 WeakPolarHBondContact O-CD2 3.29Å; Y544-Y548 PolarHBondContact O-N 2.74Å; Y548-W666 HydrophobicContact CE2-CB 4.26Å; Y548-P667 PolarHBondContact OH-O 3.44Å
549G94Very high95.4Very high31 Ų3125.4 Ų25.432%0.3212%0.122SC..SBendtrans79.1-170.6-170.900000111.5A545 V551A545-G549 CarbonylContact C-O 3.59Å; A545-G549 WeakPolarHBondContact CA-O 3.23Å; A545-G549 CarbonylContact O-C 3.58Å; A545-G549 VanDerWaalsContact O-CA 3.29Å; A545-G549 WeakPolarHBondContact O-CA 3.46Å; A545-G549 PolarHBondContact O-N 2.82Å; A545-G549 VanDerWaalsContact O-O 3.09Å; G549-V551 PolarHBondContact O-N 3.3Å
550N93.8Very high95.4Very high66 Ų6620.9 Ų20.935%0.35311%0.105SC..  trans-55.7135.6-170.4-63.6-6.6000113.1L454 I455 S456 P457 W594L454-N550 HydrophobicContact CD1-CB 3.71Å; L454-N550 HydrophobicContact CD2-CB 4.16Å; L454-N550 HydrophobicContact CG-CB 3.82Å; I455-N550 CarbonylContact O-C 3.56Å; I455-N550 WeakPolarHBondContact O-CA 3.3Å; S456-N550 WeakPolarHBondContact CA-OD1 3.3Å; P457-N550 WeakPolarHBondContact CD-OD1 3.43Å; N550-W594 VanDerWaalsContact O-CD1 3.31Å; N550-W594 PolarHBondContact O-NE1 3.07Å
551V95.3Very high95.2Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-112.5116.2-179.3177.20000109.2I455 I541 A545 G549 T553 A587 A588 W666I455-V551 PolarHBondContact N-O 2.89Å; I455-V551 PolarHBondContact O-N 3.49Å; I541-V551 HydrophobicContact CG2-CG1 4.33Å; A545-V551 HydrophobicContact CB-CG2 4.18Å; G549-V551 PolarHBondContact O-N 3.3Å; V551-T553 PolarHBondContact O-N 3.35Å; V551-T553 PolarHBondContact O-OG1 2.94Å; V551-A587 HydrophobicContact CG1-CB 3.84Å; V551-A588 WeakPolarHBondContact CA-O 3.2Å; V551-W666 HydrophobicContact CG1-CZ3 4.34Å
552L94.2Very high95Very high1 Ų126.5 Ų26.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-69.5119.4171.2174.866.5000107.8Y452 L454 A587 A588 W594 N598 F646 W649Y452-L552 HydrophobicContact CD2-CD1 3.82Å; L454-L552 HydrophobicContact CD1-CB 4.29Å; L552-A587 CarbonylContact O-C 3.52Å; L552-A587 WeakPolarHBondContact O-CA 3.41Å; L552-A588 HydrophobicContact CB-CB 4.32Å; L552-A588 PolarHBondContact N-O 2.8Å; L552-A588 PolarHBondContact O-N 3.19Å; L552-W594 HydrophobicContact CB-CH2 4.28Å; L552-W594 HydrophobicContact CB-CZ2 3.95Å; L552-W594 HydrophobicContact CD2-CH2 4.36Å; L552-W594 HydrophobicContact CD2-CZ3 4.38Å; L552-N598 HydrophobicContact CD2-CB 4.36Å; L552-F646 HydrophobicContact CD2-CE1 4.42Å; L552-W649 HydrophobicContact CD2-CZ2 3.9Å
553T95Very high94.9Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-122130.3-177-56.90000109.7Y452 A453 I455 L498 I541 V551 I586Y452-T553 CarbonylContact C-O 3.42Å; Y452-T553 WeakPolarHBondContact CA-O 3.3Å; A453-T553 PolarHBondContact N-O 2.88Å; A453-T553 PolarHBondContact O-N 3.12Å; I455-T553 WeakPolarHBondContact CG1-OG1 3.49Å; L498-T553 HydrophobicContact CD1-CG2 4.25Å; L498-T553 HydrophobicContact CD2-CG2 3.59Å; I541-T553 HydrophobicContact CD1-CG2 3.8Å; I541-T553 HydrophobicContact CG2-CG2 4.43Å; I541-T553 WeakPolarHBondContact CG2-OG1 3.03Å; V551-T553 PolarHBondContact O-N 3.35Å; V551-T553 PolarHBondContact O-OG1 2.94Å; T553-I586 CarbonylContact C-O 3.44Å; T553-I586 WeakPolarHBondContact CA-O 3.32Å
554I94.8Very high94.8Very high1 Ų126.4 Ų26.41%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-119.5135.3175.4-46.4-179.7000107.8V421 S450 I451 F584 C585 I586 F645 F646V421-I554 HydrophobicContact CG2-CD1 4.3Å; V421-I554 HydrophobicContact CG2-CG2 4.41Å; S450-I554 VanDerWaalsContact OG-CG2 3.23Å; S450-I554 WeakPolarHBondContact OG-CG2 3.28Å; I451-I554 CarbonylContact O-C 3.47Å; I451-I554 VanDerWaalsContact O-CA 3.25Å; I451-I554 WeakPolarHBondContact O-CA 3.25Å; I554-F584 HydrophobicContact CG2-CE2 4.01Å; I554-C585 CarbonylContact O-C 3.48Å; I554-C585 VanDerWaalsContact O-CA 3.29Å; I554-C585 WeakPolarHBondContact O-CA 3.34Å; I554-I586 HydrophobicContact CB-CB 4.32Å; I554-I586 PolarHBondContact N-O 2.79Å; I554-I586 PolarHBondContact O-N 2.64Å; I554-F645 HydrophobicContact CD1-CD1 4.04Å; I554-F645 HydrophobicContact CG2-CD1 4.42Å; I554-F645 HydrophobicContact CG2-CE1 4.07Å; I554-F646 HydrophobicContact CD1-CE1 3.65Å; I554-F646 HydrophobicContact CD1-CZ 3.97Å
555A95.8Very high94.7Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-142.7155.9176.300000111.4S450 I451 L497 L498 W534 F584S450-A555 CarbonylContact C-O 3.53Å; S450-A555 VanDerWaalsContact CA-O 3.29Å; S450-A555 WeakPolarHBondContact CA-O 3.26Å; I451-A555 HydrophobicContact CG2-CB 4.39Å; I451-A555 PolarHBondContact N-O 2.72Å; I451-A555 PolarHBondContact O-N 3.4Å; L497-A555 HydrophobicContact CB-CB 4.15Å; L497-A555 HydrophobicContact CD1-CB 4.36Å; L498-A555 HydrophobicContact CD2-CB 4.04Å; L498-A555 HydrophobicContact CG-CB 4.25Å; W534-A555 HydrophobicContact CH2-CB 4.09Å; W534-A555 HydrophobicContact CZ2-CB 3.94Å; A555-F584 VanDerWaalsContact CA-O 3.26Å; A555-F584 WeakPolarHBondContact CA-O 3.13Å
556G95Very high94.6Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-172.8165.6177.800000113.3Y583 F584G556-Y583 WeakPolarHBondContact O-CA 3.37Å; G556-F584 PolarHBondContact N-O 3.19Å; G556-F584 VanDerWaalsContact N-O 3.14Å; G556-F584 WeakPolarHBondContact O-CD1 3.32Å; G556-F584 PolarHBondContact O-N 3.33Å
557P95.4Very high94.5Very high4 Ų427.9 Ų27.93%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-76.2153.3172.532.8-35000112.1L447 L448 F559 P580 Y583L447-P557 HydrophobicContact CD2-CG 4.26Å; L448-P557 VanDerWaalsContact O-CD 3.27Å; L448-P557 WeakPolarHBondContact O-CD 3.1Å; L448-P557 WeakPolarHBondContact O-CG 3.31Å; P557-F559 HydrophobicContact CB-CE2 4.09Å; P557-F559 HydrophobicContact CB-CZ 4.25Å; P557-F559 HydrophobicContact CG-CE2 4.15Å; P557-P580 HydrophobicContact CB-CB 3.7Å; P557-P580 HydrophobicContact CB-CG 3.37Å; P557-Y583 HydrophobicContact CB-CD1 4.34Å; P557-Y583 HydrophobicContact CB-CE1 4Å
558I95.8Very high94.4Very high1 Ų125.4 Ų25.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-123.4137.9170.7-74162.7000109.5D560 S581 H582 F584 A610 L640I558-D560 HydrophobicContact CG2-CB 4.09Å; I558-S581 PolarHBondContact O-N 2.95Å; I558-S581 PolarHBondContact O-OG 2.82Å; I558-H582 HydrophobicContact CB-CB 3.83Å; I558-H582 HydrophobicContact CD1-CB 4.27Å; I558-H582 HydrophobicContact CG2-CB 3.96Å; I558-H582 PolarHBondContact N-O 2.87Å; I558-H582 PolarHBondContact O-N 2.03Å; I558-F584 HydrophobicContact CD1-CB 3.73Å; I558-F584 HydrophobicContact CD1-CD1 4.15Å; I558-F584 HydrophobicContact CD1-CG 4.43Å; I558-F584 HydrophobicContact CG1-CB 4.44Å; I558-F584 HydrophobicContact CG1-CD1 3.94Å; I558-A610 HydrophobicContact CD1-CB 4.3Å; I558-L640 HydrophobicContact CD1-CB 3.85Å; I558-L640 HydrophobicContact CD1-CD1 4Å; I558-L640 HydrophobicContact CG1-CB 3.97Å; I558-L640 HydrophobicContact CG2-CB 3.88Å; I558-L640 HydrophobicContact CG2-CD2 3.98Å; I558-L640 HydrophobicContact CG2-CG 4.41Å
559F94.5Very high94Very high11 Ų1124.6 Ų24.65%0.04814%0.137CC..  trans-118.3107.2173.6-57-82.8000108L447 P557 Y561 D568 A573 V579 P580L447-F559 HydrophobicContact CD2-CE2 4.28Å; L447-F559 HydrophobicContact CD2-CZ 3.71Å; P557-F559 HydrophobicContact CB-CE2 4.09Å; P557-F559 HydrophobicContact CB-CZ 4.25Å; P557-F559 HydrophobicContact CG-CE2 4.15Å; F559-Y561 HydrophobicContact CD1-CE2 4.07Å; F559-D568 HydrophobicContact CB-CB 4.06Å; F559-D568 WeakPolarHBondContact O-CB 3.29Å; F559-D568 PolarHBondContact O-N 3.47Å; F559-A573 HydrophobicContact CB-CB 4.32Å; F559-A573 HydrophobicContact CD1-CB 3.75Å; F559-A573 HydrophobicContact CE1-CB 4.18Å; F559-A573 HydrophobicContact CG-CB 3.98Å; F559-V579 WeakPolarHBondContact CE1-O 3.12Å; F559-P580 HydrophobicContact CE1-CB 4.24Å; F559-P580 HydrophobicContact CE1-CG 4.07Å; F559-P580 HydrophobicContact CZ-CB 4.44Å; F559-P580 HydrophobicContact CZ-CG 4Å
560D95Very high93.5Very high0 Ų025.1 Ų25.10%013%0.133CC..  trans-145.270.2-179.3176.114.8000108.8K273 I558 N562 H563 D564 G565 D568 S581 L640K273-D560 WeakPolarHBondContact CD-OD2 3.24Å; K273-D560 WeakPolarHBondContact CE-OD2 3.24Å; K273-D560 IonicContact NZ-OD2 3.52Å; K273-D560 PolarHBondContact NZ-OD2 2.59Å; I558-D560 HydrophobicContact CG2-CB 4.09Å; D560-N562 PolarHBondContact OD1-OD1 3.46Å; D560-H563 PolarHBondContact O-ND1 3.28Å; D560-H563 WeakPolarHBondContact OD1-CA 3.26Å; D560-H563 PolarHBondContact OD1-N 3.22Å; D560-D564 PolarHBondContact OD1-N 3.1Å; D560-D564 VanDerWaalsContact OD1-N 3.07Å; D560-G565 PolarHBondContact OD1-N 2.97Å; D560-G565 PolarHBondContact OD2-N 3.43Å; D560-D568 WeakPolarHBondContact CA-OD2 3.22Å; D560-D568 PolarHBondContact N-OD2 2.91Å; D560-S581 PolarHBondContact N-OG 3.3Å; D560-L640 HydrophobicContact CB-CD2 3.88Å; D560-L640 WeakPolarHBondContact OD2-CD2 3.4Å
561Y93.7Very high93.2Very high55 Ų5529.7 Ų29.722%0.21615%0.152CC..SBendtrans-88-20.6-177.3-75.6-66.1000113.2F559 H563 D568 R576 V579F559-Y561 HydrophobicContact CD1-CE2 4.07Å; Y561-H563 VanDerWaalsContact C-N 3.34Å; Y561-H563 PolarHBondContact O-CE1 3.06Å; Y561-H563 VanDerWaalsContact O-CE1 3.24Å; Y561-H563 PolarHBondContact O-NE2 3.28Å; Y561-D568 WeakPolarHBondContact CB-OD2 3.21Å; Y561-D568 PolarHBondContact N-OD2 3.23Å; Y561-R576 HydrophobicContact CD1-CG 4.03Å; Y561-R576 HydrophobicContact CD2-CG 4.11Å; Y561-R576 HydrophobicContact CE1-CB 4.15Å; Y561-R576 HydrophobicContact CE1-CG 3.68Å; Y561-R576 HydrophobicContact CE2-CB 3.76Å; Y561-R576 HydrophobicContact CE2-CG 3.74Å; Y561-R576 HydrophobicContact CG-CG 4.22Å; Y561-R576 WeakPolarHBondContact OH-CB 3.44Å; Y561-V579 PolarHBondContact OH-O 3.2Å
562N93.5Very high92.7Very high71 Ų7133.1 Ų33.138%0.3817%0.17SC..SBendtrans-86.4-9.4170.568.9-2000112.3D560 D564 D568D560-N562 PolarHBondContact OD1-OD1 3.46Å; N562-D564 VanDerWaalsContact C-N 3.3Å; N562-D564 VanDerWaalsContact CG-CG 3.49Å; N562-D564 PolarHBondContact ND2-OD2 2.94Å; N562-D564 PolarHBondContact O-N 2.61Å; N562-D564 PolarHBondContact OD1-N 2.87Å; N562-D564 PolarHBondContact OD1-OD1 3.21Å; N562-D568 PolarHBondContact OD1-OD1 3.2Å
563H92.9Very high92.3Very high45 Ų4533.2 Ų33.221%0.20817%0.171CC..  trans67.426.7175-42.4-41.2000113.9S269 S278 S279 D560 Y561S269-H563 WeakPolarHBondContact CB-CE1 3.37Å; S278-H563 PolarHBondContact OG-O 2.72Å; S279-H563 WeakPolarHBondContact CB-O 3.27Å; S279-H563 PolarHBondContact N-O 2.81Å; D560-H563 PolarHBondContact O-ND1 3.28Å; D560-H563 WeakPolarHBondContact OD1-CA 3.26Å; D560-H563 PolarHBondContact OD1-N 3.22Å; Y561-H563 VanDerWaalsContact C-N 3.34Å; Y561-H563 PolarHBondContact O-CE1 3.06Å; Y561-H563 VanDerWaalsContact O-CE1 3.24Å; Y561-H563 PolarHBondContact O-NE2 3.28Å
564D93.8Very high91.9Very high44 Ų4436 Ų3624%0.23519%0.19CC..SBendtrans-88.7-3.2-179.374.81.7000114.1S279 D560 N562 L566S279-D564 WeakPolarHBondContact OG-CA 3.27Å; S279-D564 WeakPolarHBondContact OG-CB 2.91Å; D560-D564 PolarHBondContact OD1-N 3.1Å; D560-D564 VanDerWaalsContact OD1-N 3.07Å; N562-D564 VanDerWaalsContact C-N 3.3Å; N562-D564 VanDerWaalsContact CG-CG 3.49Å; N562-D564 PolarHBondContact ND2-OD2 2.94Å; N562-D564 PolarHBondContact O-N 2.61Å; N562-D564 PolarHBondContact OD1-N 2.87Å; N562-D564 PolarHBondContact OD1-OD1 3.21Å; D564-L566 PolarHBondContact O-N 2.89Å; D564-L566 WeakPolarHBondContact OD1-CA 3.26Å; D564-L566 WeakPolarHBondContact OD1-CB 3.49Å; D564-L566 PolarHBondContact OD1-N 3.24Å
565G94.7Very high91.6Very high8 Ų839.4 Ų39.48%0.08222%0.219CC..SBendtrans73.811.8-179.200000113.4D560 L639D560-G565 PolarHBondContact OD1-N 2.97Å; D560-G565 PolarHBondContact OD2-N 3.43Å; G565-L639 WeakPolarHBondContact O-CB 3.44Å
566L94Very high91.3Very high80 Ų8046.5 Ų46.542%0.41925%0.245SC..SBendtrans-113.8164.8177.6-50.9177.1000110.2D564 D568 L639D564-L566 PolarHBondContact O-N 2.89Å; D564-L566 WeakPolarHBondContact OD1-CA 3.26Å; D564-L566 WeakPolarHBondContact OD1-CB 3.49Å; D564-L566 PolarHBondContact OD1-N 3.24Å; L566-D568 PolarHBondContact O-N 3.07Å; L566-L639 CarbonylContact C-O 3.59Å; L566-L639 WeakPolarHBondContact CA-O 3.47Å; L566-L639 HydrophobicContact CD2-CB 4.17Å; L566-L639 HydrophobicContact CD2-CD2 4.04Å
567F92.8Very high91Very high40 Ų4049.4 Ų49.418%0.17526%0.261CS..PPolyproline II helixtrans-68.1122.7174.6173-98.4000111R426 L639 S641R426-F567 HydrophobicContact CG-CD1 4.47Å; R426-F567 HydrophobicContact CG-CE1 3.94Å; R426-F567 HydrophobicContact CG-CZ 4.03Å; F567-L639 PolarHBondContact N-O 3.35Å; F567-S641 WeakPolarHBondContact CD2-O 3.35Å
568D92.5Very high90.7Very high4 Ų450.7 Ų50.72%0.02127%0.267CS..PPolyproline II helixtrans-69.6154.8174.8-83.2-20.9000113.7F559 D560 Y561 N562 L566 L572F559-D568 HydrophobicContact CB-CB 4.06Å; F559-D568 WeakPolarHBondContact O-CB 3.29Å; F559-D568 PolarHBondContact O-N 3.47Å; D560-D568 WeakPolarHBondContact CA-OD2 3.22Å; D560-D568 PolarHBondContact N-OD2 2.91Å; Y561-D568 WeakPolarHBondContact CB-OD2 3.21Å; Y561-D568 PolarHBondContact N-OD2 3.23Å; N562-D568 PolarHBondContact OD1-OD1 3.2Å; L566-D568 PolarHBondContact O-N 3.07Å; D568-L572 HydrophobicContact CB-CB 4.07Å; D568-L572 HydrophobicContact CB-CD1 4.12Å; D568-L572 WeakPolarHBondContact OD1-CD1 3.37Å
569S86.5Confident90.5Very high55 Ų5551.1 Ų51.139%0.38527%0.269SS..PPolyproline II helixtrans-67.5156.8167.871.80000112.7E571 L572 A573S569-E571 PolarHBondContact O-N 2.93Å; S569-E571 VanDerWaalsContact O-N 3.09Å; S569-L572 PolarHBondContact O-N 2.02Å; S569-L572 VanDerWaalsContact O-N 3.09Å; S569-A573 PolarHBondContact O-N 2.83Å
570D84.5Confident90.6Very high42 Ų4250.7 Ų50.723%0.22527%0.268CS..Hα-helixtrans-56.8-27.5175.1-70.3-15.6000112.7N444 V445 S574N444-D570 PolarHBondContact ND2-OD2 3.37Å; V445-D570 HydrophobicContact CG1-CB 4.31Å; D570-S574 WeakPolarHBondContact O-CB 3.36Å; D570-S574 PolarHBondContact O-N 3.09Å; D570-S574 PolarHBondContact O-OG 2.7Å
571E87Confident90.6Very high161 Ų16151.3 Ų51.375%0.75227%0.272SS*.Hα-helixtrans-64.6-45.5177.3-63.2175172.100111.7S569 S574 A575S569-E571 PolarHBondContact O-N 2.93Å; S569-E571 VanDerWaalsContact O-N 3.09Å; E571-S574 PolarHBondContact O-N 3.34Å; E571-A575 PolarHBondContact O-N 3.26Å; E571-A575 VanDerWaalsContact O-N 3.09Å
572L86.3Confident90.8Very high72 Ų7248.9 Ų48.938%0.37726%0.262SS..Hα-helixtrans-67.2-42.9177.5-72.7171.7000111.1D568 S569 S574 A575D568-L572 HydrophobicContact CB-CB 4.07Å; D568-L572 HydrophobicContact CB-CD1 4.12Å; D568-L572 WeakPolarHBondContact OD1-CD1 3.37Å; S569-L572 PolarHBondContact O-N 2.02Å; S569-L572 VanDerWaalsContact O-N 3.09Å; L572-S574 PolarHBondContact O-N 3.47Å; L572-A575 PolarHBondContact O-N 2.6Å
573A85Confident91Very high3 Ų345.5 Ų45.53%0.02524%0.244CC..Hα-helixtrans-63.5-41.2175.900000112F559 S569 A575 R576 H578F559-A573 HydrophobicContact CB-CB 4.32Å; F559-A573 HydrophobicContact CD1-CB 3.75Å; F559-A573 HydrophobicContact CE1-CB 4.18Å; F559-A573 HydrophobicContact CG-CB 3.98Å; S569-A573 PolarHBondContact O-N 2.83Å; A573-A575 VanDerWaalsContact C-N 3.35Å; A573-A575 PolarHBondContact O-N 3.21Å; A573-R576 CarbonylContact O-C 3.58Å; A573-R576 PolarHBondContact O-N 3.09Å; A573-R576 VanDerWaalsContact O-N 3.14Å; A573-H578 WeakPolarHBondContact O-CA 3.01Å; A573-H578 PolarHBondContact O-N 3.32Å
574S86.8Confident91.3Very high58 Ų5843.3 Ų43.341%0.40623%0.234SC..Hα-helixtrans-63.4-38.3178.2-68.60000112.5D570 E571 L572 R576 D577 H578D570-S574 WeakPolarHBondContact O-CB 3.36Å; D570-S574 PolarHBondContact O-N 3.09Å; D570-S574 PolarHBondContact O-OG 2.7Å; E571-S574 PolarHBondContact O-N 3.34Å; L572-S574 PolarHBondContact O-N 3.47Å; S574-R576 PolarHBondContact O-N 2.98Å; S574-D577 PolarHBondContact O-N 2.74Å; S574-H578 PolarHBondContact OG-CE1 3.03Å; S574-H578 PolarHBondContact OG-NE2 3.3Å; S574-H578 VanDerWaalsContact OG-NE2 3.16Å
575A88.2Confident91.5Very high74 Ų7441.2 Ų41.261%0.61222%0.223SC*.THydrogen-bonded Turntrans-61.2-13.9176.700000113.5E571 L572 A573E571-A575 PolarHBondContact O-N 3.26Å; E571-A575 VanDerWaalsContact O-N 3.09Å; L572-A575 PolarHBondContact O-N 2.6Å; A573-A575 VanDerWaalsContact C-N 3.35Å; A573-A575 PolarHBondContact O-N 3.21Å
576R88.8Confident91.6Very high148 Ų14840.9 Ų40.956%0.55822%0.22SC*.THydrogen-bonded Turntrans-117.324.1178.2-58.7-64.9-168-148.22.8112.8Y561 A573 S574 H578 V579Y561-R576 HydrophobicContact CD1-CG 4.03Å; Y561-R576 HydrophobicContact CD2-CG 4.11Å; Y561-R576 HydrophobicContact CE1-CB 4.15Å; Y561-R576 HydrophobicContact CE1-CG 3.68Å; Y561-R576 HydrophobicContact CE2-CB 3.76Å; Y561-R576 HydrophobicContact CE2-CG 3.74Å; Y561-R576 HydrophobicContact CG-CG 4.22Å; Y561-R576 WeakPolarHBondContact OH-CB 3.44Å; A573-R576 CarbonylContact O-C 3.58Å; A573-R576 PolarHBondContact O-N 3.09Å; A573-R576 VanDerWaalsContact O-N 3.14Å; S574-R576 PolarHBondContact O-N 2.98Å; R576-H578 PolarHBondContact O-N 3.37Å; R576-H578 VanDerWaalsContact O-N 3.17Å; R576-V579 WeakPolarHBondContact O-CB 3.18Å; R576-V579 WeakPolarHBondContact O-CG2 3.49Å; R576-V579 PolarHBondContact O-N 2.86Å; R576-V579 VanDerWaalsContact O-N 3.08Å
577D88.5Confident91.8Very high62 Ų6237.1 Ų37.133%0.33220%0.2SC..THydrogen-bonded Turntrans56.528.2-179.3-56.1-73000113.4R490 S574 V579R490-D577 IonicContact CZ-OD2 2.64Å; R490-D577 IonicContact NH1-OD2 2.72Å; R490-D577 PolarHBondContact NH1-OD2 3.2Å; R490-D577 IonicContact NH2-OD2 2.79Å; R490-D577 PolarHBondContact NH2-OD2 3.26Å; S574-D577 PolarHBondContact O-N 2.74Å; D577-V579 PolarHBondContact O-N 3.2Å; D577-V579 VanDerWaalsContact O-N 3.16Å
578H88.9Confident92Very high31 Ų3135.3 Ų35.314%0.14419%0.192CC..THydrogen-bonded Turntrans53.231.2-174.3-56.495.3000113.4V445 R483 A573 S574 R576 P580V445-H578 VanDerWaalsContact CG1-NE2 3.27Å; V445-H578 WeakPolarHBondContact CG1-NE2 3.46Å; R483-H578 PolarHBondContact NH2-O 3.49Å; A573-H578 WeakPolarHBondContact O-CA 3.01Å; A573-H578 PolarHBondContact O-N 3.32Å; S574-H578 PolarHBondContact OG-CE1 3.03Å; S574-H578 PolarHBondContact OG-NE2 3.3Å; S574-H578 VanDerWaalsContact OG-NE2 3.16Å; R576-H578 PolarHBondContact O-N 3.37Å; R576-H578 VanDerWaalsContact O-N 3.17Å; H578-P580 WeakPolarHBondContact O-CD 3.05Å
579V93.4Very high92.1Very high9 Ų938.4 Ų38.46%0.05520%0.203CC..  trans-71.4129.4163.3179.20000106.6L487 I492 P524 F559 Y561 R576 D577L487-V579 HydrophobicContact CD2-CG2 3.8Å; I492-V579 HydrophobicContact CD1-CG1 4.01Å; I492-V579 HydrophobicContact CD1-CG2 3.88Å; P524-V579 HydrophobicContact CB-CG2 4.37Å; F559-V579 WeakPolarHBondContact CE1-O 3.12Å; Y561-V579 PolarHBondContact OH-O 3.2Å; R576-V579 WeakPolarHBondContact O-CB 3.18Å; R576-V579 WeakPolarHBondContact O-CG2 3.49Å; R576-V579 PolarHBondContact O-N 2.86Å; R576-V579 VanDerWaalsContact O-N 3.08Å; D577-V579 PolarHBondContact O-N 3.2Å; D577-V579 VanDerWaalsContact O-N 3.16Å
580P95.2Very high92.5Very high2 Ų236.1 Ų36.11%0.01319%0.188CC..  trans-69.6146177.3-26.640000111.6P524 P557 F559 H578 H582 Y583 H613P524-P580 WeakPolarHBondContact O-CD 3.31Å; P557-P580 HydrophobicContact CB-CB 3.7Å; P557-P580 HydrophobicContact CB-CG 3.37Å; F559-P580 HydrophobicContact CE1-CB 4.24Å; F559-P580 HydrophobicContact CE1-CG 4.07Å; F559-P580 HydrophobicContact CZ-CB 4.44Å; F559-P580 HydrophobicContact CZ-CG 4Å; H578-P580 WeakPolarHBondContact O-CD 3.05Å; P580-H582 WeakPolarHBondContact CB-O 3.27Å; P580-Y583 HydrophobicContact CB-CE1 4.3Å; P580-Y583 HydrophobicContact CB-CE2 4.01Å; P580-Y583 HydrophobicContact CG-CE1 4.02Å; P580-Y583 HydrophobicContact CG-CE2 4.21Å; P580-Y583 WeakPolarHBondContact CG-OH 3.41Å; P580-H613 WeakPolarHBondContact O-CB 3.4Å; P580-H613 PolarHBondContact O-ND1 3.3Å
581S95.9Very high93Very high13 Ų1337.2 Ų37.29%0.09120%0.199CC..SBendtrans-76.8-32.6172.167.50000111.5I558 D560 H613I558-S581 PolarHBondContact O-N 2.95Å; I558-S581 PolarHBondContact O-OG 2.82Å; D560-S581 PolarHBondContact N-OG 3.3Å; S581-H613 VanDerWaalsContact O-CB 3.29Å; S581-H613 WeakPolarHBondContact O-CB 3.45Å; S581-H613 PolarHBondContact O-N 3.27Å
582H97.8Very high93.4Very high4 Ų433.1 Ų33.12%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-146168-178.4-61.171000109.3K273 I558 P580 I611 P612K273-H582 WeakPolarHBondContact CE-CE1 3.11Å; K273-H582 VanDerWaalsContact CE-NE2 3.26Å; K273-H582 WeakPolarHBondContact CE-NE2 3.4Å; I558-H582 HydrophobicContact CB-CB 3.83Å; I558-H582 HydrophobicContact CD1-CB 4.27Å; I558-H582 HydrophobicContact CG2-CB 3.96Å; I558-H582 PolarHBondContact N-O 2.87Å; I558-H582 PolarHBondContact O-N 2.03Å; P580-H582 WeakPolarHBondContact CB-O 3.27Å; H582-I611 CarbonylContact C-O 3.53Å; H582-I611 WeakPolarHBondContact CA-O 3.49Å; H582-I611 VanDerWaalsContact CB-O 3.28Å; H582-I611 WeakPolarHBondContact CB-O 3.3Å; H582-P612 WeakPolarHBondContact CD2-CA 3.21Å
583Y98.1Very high93.6Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-125.3140.6166.2-75.7-84.1000109.8L497 C523 P524 M525 F529 W534 G556 P557 P580 I611 H613L497-Y583 HydrophobicContact CD2-CD1 3.56Å; L497-Y583 HydrophobicContact CD2-CE1 3.71Å; C523-Y583 HydrophobicContact CB-CE1 3.66Å; C523-Y583 WeakPolarHBondContact CB-OH 3.14Å; P524-Y583 VanDerWaalsContact C-OH 3.25Å; P524-Y583 PolarHBondContact O-OH 3.22Å; M525-Y583 HydrophobicContact CE-CD1 3.82Å; M525-Y583 HydrophobicContact CE-CD2 4.28Å; M525-Y583 HydrophobicContact CE-CE1 3.5Å; M525-Y583 HydrophobicContact CE-CE2 4Å; M525-Y583 HydrophobicContact CE-CG 4.18Å; M525-Y583 HydrophobicContact CG-CD2 4.49Å; M525-Y583 HydrophobicContact CG-CE1 4.39Å; M525-Y583 HydrophobicContact CG-CE2 3.59Å; M525-Y583 VanDerWaalsContact CG-OH 3.26Å; M525-Y583 WeakPolarHBondContact CG-OH 3.5Å; M525-Y583 HydrophobicContact SD-CE2 4.37Å; F529-Y583 AromaticContact CE1-CD2 3.73Å; F529-Y583 HydrophobicContact CE1-CD2 3.73Å; F529-Y583 HydrophobicContact CE1-CE2 4.29Å; F529-Y583 HydrophobicContact CE1-CG 4.42Å; F529-Y583 HydrophobicContact CZ-CD2 4.01Å; W534-Y583 HydrophobicContact CZ3-CG 4.48Å; G556-Y583 WeakPolarHBondContact O-CA 3.37Å; P557-Y583 HydrophobicContact CB-CD1 4.34Å; P557-Y583 HydrophobicContact CB-CE1 4Å; P580-Y583 HydrophobicContact CB-CE1 4.3Å; P580-Y583 HydrophobicContact CB-CE2 4.01Å; P580-Y583 HydrophobicContact CG-CE1 4.02Å; P580-Y583 HydrophobicContact CG-CE2 4.21Å; P580-Y583 WeakPolarHBondContact CG-OH 3.41Å; Y583-I611 PolarHBondContact N-O 2.97Å; Y583-I611 PolarHBondContact O-N 3.34Å; Y583-H613 HydrophobicContact CD2-CB 4.09Å; Y583-H613 HydrophobicContact CE2-CB 4.17Å; Y583-H613 AromaticContact CE2-CD2 3.93Å; Y583-H613 AromaticContact CE2-CG 3.72Å; Y583-H613 AromaticContact CE2-ND1 3.9Å
584F98.2Very high93.9Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-102150.317074.5-94.4000112I554 A555 G556 I558 I586 F609 I637 L643 F645I554-F584 HydrophobicContact CG2-CE2 4.01Å; A555-F584 VanDerWaalsContact CA-O 3.26Å; A555-F584 WeakPolarHBondContact CA-O 3.13Å; G556-F584 PolarHBondContact N-O 3.19Å; G556-F584 VanDerWaalsContact N-O 3.14Å; G556-F584 WeakPolarHBondContact O-CD1 3.32Å; G556-F584 PolarHBondContact O-N 3.33Å; I558-F584 HydrophobicContact CD1-CB 3.73Å; I558-F584 HydrophobicContact CD1-CD1 4.15Å; I558-F584 HydrophobicContact CD1-CG 4.43Å; I558-F584 HydrophobicContact CG1-CB 4.44Å; I558-F584 HydrophobicContact CG1-CD1 3.94Å; F584-I586 HydrophobicContact CD2-CD1 4.4Å; F584-I586 HydrophobicContact CD2-CG1 4.22Å; F584-F609 WeakPolarHBondContact CA-O 3.46Å; F584-F609 WeakPolarHBondContact CB-O 3.33Å; F584-I637 HydrophobicContact CB-CD1 4.04Å; F584-I637 HydrophobicContact CB-CG1 4.07Å; F584-I637 HydrophobicContact CB-CG2 3.65Å; F584-I637 HydrophobicContact CD1-CG2 3.96Å; F584-I637 HydrophobicContact CD2-CG2 3.6Å; F584-I637 HydrophobicContact CE1-CG2 4.46Å; F584-I637 HydrophobicContact CE2-CG2 4.15Å; F584-I637 HydrophobicContact CG-CG2 3.48Å; F584-I637 VanDerWaalsContact CG-CG2 3.48Å; F584-L643 HydrophobicContact CZ-CD1 4.33Å; F584-F645 HydrophobicContact CE2-CE1 4.14Å; F584-F645 AromaticContact CE2-CZ 3.95Å; F584-F645 HydrophobicContact CE2-CZ 3.95Å; F584-F645 HydrophobicContact CZ-CE1 4.31Å; F584-F645 AromaticContact CZ-CZ 4Å; F584-F645 HydrophobicContact CZ-CZ 4Å
585C98.2Very high93.9Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-140.5131.5166.5-177.50000108.8W534 L537 I541 I554 S608 F609W534-C585 HydrophobicContact CH2-CB 4.02Å; W534-C585 HydrophobicContact CZ3-CB 4.44Å; L537-C585 HydrophobicContact CD2-CB 3.72Å; I541-C585 VanDerWaalsContact CD1-SG 3.54Å; I554-C585 CarbonylContact O-C 3.48Å; I554-C585 VanDerWaalsContact O-CA 3.29Å; I554-C585 WeakPolarHBondContact O-CA 3.34Å; C585-S608 CarbonylContact O-C 3.51Å; C585-S608 VanDerWaalsContact O-CA 3.29Å; C585-S608 WeakPolarHBondContact O-CA 3.11Å; C585-F609 HydrophobicContact CB-CD2 4.19Å; C585-F609 PolarHBondContact N-O 2.88Å; C585-F609 VanDerWaalsContact N-O 3.16Å; C585-F609 PolarHBondContact O-N 2.98Å
586I97.9Very high93.6Very high1 Ų138.1 Ų38.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-122115.2173.9-50.9171000107.2T553 I554 F584 M607 V634 I637 F645 F646T553-I586 CarbonylContact C-O 3.44Å; T553-I586 WeakPolarHBondContact CA-O 3.32Å; I554-I586 HydrophobicContact CB-CB 4.32Å; I554-I586 PolarHBondContact N-O 2.79Å; I554-I586 PolarHBondContact O-N 2.64Å; F584-I586 HydrophobicContact CD2-CD1 4.4Å; F584-I586 HydrophobicContact CD2-CG1 4.22Å; I586-M607 CarbonylContact C-O 3.59Å; I586-M607 WeakPolarHBondContact CA-O 3.34Å; I586-V634 HydrophobicContact CD1-CG1 4.27Å; I586-V634 HydrophobicContact CD1-CG2 4.42Å; I586-V634 HydrophobicContact CG2-CG2 4.09Å; I586-I637 HydrophobicContact CD1-CB 4.5Å; I586-I637 HydrophobicContact CD1-CD1 3.99Å; I586-I637 HydrophobicContact CD1-CG2 4.15Å; I586-I637 HydrophobicContact CG1-CD1 3.56Å; I586-F645 HydrophobicContact CD1-CD1 4.06Å; I586-F645 HydrophobicContact CD1-CD2 3.83Å; I586-F645 HydrophobicContact CD1-CE1 4.14Å; I586-F645 HydrophobicContact CD1-CE2 3.94Å; I586-F645 HydrophobicContact CD1-CG 3.91Å; I586-F645 HydrophobicContact CD1-CZ 4.08Å; I586-F646 HydrophobicContact CG2-CE2 3.83Å; I586-F646 HydrophobicContact CG2-CZ 3.6Å
587A97.6Very high93.1Very high1 Ų135.8 Ų35.81%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-101.9137.5170.300000109.4V551 L552 T606 M607 W666V551-A587 HydrophobicContact CG1-CB 3.84Å; L552-A587 CarbonylContact O-C 3.52Å; L552-A587 WeakPolarHBondContact O-CA 3.41Å; A587-T606 CarbonylContact O-C 3.41Å; A587-T606 VanDerWaalsContact O-CA 3.31Å; A587-T606 WeakPolarHBondContact O-CA 3.46Å; A587-M607 HydrophobicContact CB-CB 4.47Å; A587-M607 PolarHBondContact N-O 2.89Å; A587-M607 PolarHBondContact O-N 2.97Å; A587-W666 HydrophobicContact CB-CH2 3.93Å; A587-W666 HydrophobicContact CB-CZ3 4.11Å
588A96.7Very high93Very high1 Ų132.9 Ų32.91%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-128.4136.1173.400000109.7V551 L552 W594 I604 S605 T606 W649V551-A588 WeakPolarHBondContact CA-O 3.2Å; L552-A588 HydrophobicContact CB-CB 4.32Å; L552-A588 PolarHBondContact N-O 2.8Å; L552-A588 PolarHBondContact O-N 3.19Å; A588-W594 HydrophobicContact CB-CH2 3.98Å; A588-W594 HydrophobicContact CB-CZ2 4.07Å; A588-W594 WeakPolarHBondContact O-CZ2 3.17Å; A588-I604 HydrophobicContact CB-CG2 4.38Å; A588-S605 CarbonylContact C-O 3.58Å; A588-S605 WeakPolarHBondContact CA-O 3.4Å; A588-T606 HydrophobicContact CB-CG2 4Å; A588-W649 HydrophobicContact CB-CH2 3.81Å; A588-W649 HydrophobicContact CB-CZ2 4.49Å
589R95.3Very high93Very high69 Ų6933.5 Ų33.526%0.2618%0.181SC..EExtended strand (participates in β ladder)trans-116.2143.1172.966.6178.9-175.981.35.3110.3I604 S605 W666R589-I604 WeakPolarHBondContact O-CA 3.04Å; R589-S605 PolarHBondContact N-O 3Å; R589-S605 PolarHBondContact O-N 3.01Å; R589-W666 HydrophobicContact CB-CH2 4.02Å; R589-W666 HydrophobicContact CB-CZ2 4.48Å; R589-W666 HydrophobicContact CB-CZ3 4.24Å; R589-W666 HydrophobicContact CG-CH2 3.91Å; R589-W666 HydrophobicContact CG-CZ2 3.88Å; R589-W666 HydrophobicContact CG-CZ3 4.31Å
590C95.1Very high92.9Very high8 Ų834.2 Ų34.25%0.05419%0.186CC..EExtended strand (participates in β ladder)trans-104.3132.4174.8176.20000108.6T592 Q593 W594 C600C590-T592 PolarHBondContact O-N 2.59Å; C590-T592 PolarHBondContact SG-N 2.63Å; C590-T592 PolarHBondContact SG-OG1 2.97Å; C590-T592 VanDerWaalsContact SG-OG1 3.36Å; C590-Q593 VanDerWaalsContact SG-C 3.57Å; C590-Q593 PolarHBondContact SG-N 2.92Å; C590-Q593 VanDerWaalsContact SG-N 3.4Å; C590-Q593 PolarHBondContact SG-O 2.85Å; C590-Q593 VanDerWaalsContact SG-O 3.42Å; C590-W594 HydrophobicContact CB-CD2 3.83Å; C590-W594 VanDerWaalsContact CB-CE2 3.5Å; C590-W594 HydrophobicContact CB-CE3 4.32Å; C590-W594 HydrophobicContact CB-CG 4.25Å; C590-W594 HydrophobicContact CB-CH2 4.25Å; C590-W594 HydrophobicContact CB-CZ2 3.74Å; C590-C600 WeakPolarHBondContact CA-SG 2.79Å; C590-C600 HydrophobicContact CB-CB 3.72Å; C590-C600 WeakPolarHBondContact CB-SG 3.49Å; C590-C600 WeakPolarHBondContact SG-CB 3.33Å; C590-C600 CovalentContact SG-SG 2.02Å; C590-C600 PolarHBondContact SG-SG 2.92Å
591S94.6Very high92.8Very high65 Ų6539.2 Ų39.246%0.45522%0.222SC..SBendtrans-67.7-17.1176.256.10000113.9G602 E603S591-G602 WeakPolarHBondContact OG-CA 2.97Å; S591-E603 WeakPolarHBondContact CB-O 3.31Å; S591-E603 PolarHBondContact N-O 2.92Å; S591-E603 PolarHBondContact OG-N 3.38Å; S591-E603 PolarHBondContact OG-O 3.5Å
592T94.2Very high92.6Very high75 Ų7539.9 Ų39.946%0.4623%0.23SC..SBendtrans-110.9-104.1174.859.60000111.1C590 S601 G602C590-T592 PolarHBondContact O-N 2.59Å; C590-T592 PolarHBondContact SG-N 2.63Å; C590-T592 PolarHBondContact SG-OG1 2.97Å; C590-T592 VanDerWaalsContact SG-OG1 3.36Å; T592-S601 PolarHBondContact OG1-OG 3.43Å; T592-G602 PolarHBondContact OG1-N 3.05Å
593Q91.1Very high92.3Very high157 Ų15747.4 Ų47.473%0.73427%0.265SS*.  trans-144.4147.7176.4-67.6-172.5-5.400110C590C590-Q593 VanDerWaalsContact SG-C 3.57Å; C590-Q593 PolarHBondContact SG-N 2.92Å; C590-Q593 VanDerWaalsContact SG-N 3.4Å; C590-Q593 PolarHBondContact SG-O 2.85Å; C590-Q593 VanDerWaalsContact SG-O 3.42Å
594W90.8Very high92.2Very high30 Ų3048.4 Ų48.411%0.11427%0.271CS..BIsolated β-bridgetrans-74136.9172.4-63.5102.4000111.1L454 N550 L552 A588 C590 T599 C600 I604 W649L454-W594 HydrophobicContact CD1-CB 4.33Å; L454-W594 HydrophobicContact CD1-CG 3.9Å; L454-W594 HydrophobicContact CD2-CB 4.34Å; N550-W594 VanDerWaalsContact O-CD1 3.31Å; N550-W594 PolarHBondContact O-NE1 3.07Å; L552-W594 HydrophobicContact CB-CH2 4.28Å; L552-W594 HydrophobicContact CB-CZ2 3.95Å; L552-W594 HydrophobicContact CD2-CH2 4.36Å; L552-W594 HydrophobicContact CD2-CZ3 4.38Å; A588-W594 HydrophobicContact CB-CH2 3.98Å; A588-W594 HydrophobicContact CB-CZ2 4.07Å; A588-W594 WeakPolarHBondContact O-CZ2 3.17Å; C590-W594 HydrophobicContact CB-CD2 3.83Å; C590-W594 VanDerWaalsContact CB-CE2 3.5Å; C590-W594 HydrophobicContact CB-CE3 4.32Å; C590-W594 HydrophobicContact CB-CG 4.25Å; C590-W594 HydrophobicContact CB-CH2 4.25Å; C590-W594 HydrophobicContact CB-CZ2 3.74Å; W594-T599 CarbonylContact C-O 3.54Å; W594-T599 WeakPolarHBondContact CA-O 3.46Å; W594-C600 HydrophobicContact CE3-CB 4.22Å; W594-C600 HydrophobicContact CZ3-CB 4.02Å; W594-I604 HydrophobicContact CH2-CG2 4.33Å; W594-W649 HydrophobicContact CH2-CH2 4.34Å; W594-W649 AromaticContact CH2-CZ2 3.91Å; W594-W649 HydrophobicContact CH2-CZ2 3.91Å; W594-W649 AromaticContact CZ3-CZ2 3.91Å; W594-W649 HydrophobicContact CZ3-CZ2 3.91Å
595T87.3Confident92Very high42 Ų4249.5 Ų49.526%0.25828%0.278SS..  trans-77.4164.8167.378.10000110.7E597 N598 T599T595-E597 VanDerWaalsContact CB-OE2 3.26Å; T595-E597 WeakPolarHBondContact CB-OE2 3.35Å; T595-E597 PolarHBondContact O-N 3.25Å; T595-E597 VanDerWaalsContact O-N 3.17Å; T595-E597 PolarHBondContact OG1-N 2.89Å; T595-E597 PolarHBondContact OG1-OE2 3.11Å; T595-N598 WeakPolarHBondContact O-CA 3.45Å; T595-N598 PolarHBondContact O-N 3.14Å; T595-T599 WeakPolarHBondContact CB-OG1 3.47Å; T595-T599 WeakPolarHBondContact CG2-OG1 3.35Å; T595-T599 PolarHBondContact N-O 3.18Å; T595-T599 PolarHBondContact OG1-N 3.29Å; T595-T599 PolarHBondContact OG1-OG1 2.75Å
596P81.1Confident91.9Very high82 Ų8249.5 Ų49.553%0.53228%0.278SS..THydrogen-bonded Turntrans-56.3-26.7173-26.136.4000114.2N598P596-N598 PolarHBondContact O-N 3.21Å
597E79.5Confident91.8Very high99 Ų9949.5 Ų49.546%0.46328%0.278SS..THydrogen-bonded Turntrans-82.85.6174.5-52.474-158.500113.1T595 T599T595-E597 VanDerWaalsContact CB-OE2 3.26Å; T595-E597 WeakPolarHBondContact CB-OE2 3.35Å; T595-E597 PolarHBondContact O-N 3.25Å; T595-E597 VanDerWaalsContact O-N 3.17Å; T595-E597 PolarHBondContact OG1-N 2.89Å; T595-E597 PolarHBondContact OG1-OE2 3.11Å; E597-T599 VanDerWaalsContact C-N 3.32Å; E597-T599 PolarHBondContact O-N 2.86Å
598N85.8Confident91.8Very high1 Ų149.5 Ų49.51%0.00528%0.278CS..SBendtrans59.638.2-176.2-57.4-69.4000113.5L420 L552 T595 P596 W649L420-N598 HydrophobicContact CD1-CB 3.9Å; L420-N598 HydrophobicContact CD2-CB 3.95Å; L552-N598 HydrophobicContact CD2-CB 4.36Å; T595-N598 WeakPolarHBondContact O-CA 3.45Å; T595-N598 PolarHBondContact O-N 3.14Å; P596-N598 PolarHBondContact O-N 3.21Å; N598-W649 PolarHBondContact O-NE1 3.26Å
599T89.2Confident91.9Very high45 Ų4549.5 Ų49.528%0.27628%0.278SS..  trans-96.4159.5165.864.50000111.5W594 T595 E597 L648W594-T599 CarbonylContact C-O 3.54Å; W594-T599 WeakPolarHBondContact CA-O 3.46Å; T595-T599 WeakPolarHBondContact CB-OG1 3.47Å; T595-T599 WeakPolarHBondContact CG2-OG1 3.35Å; T595-T599 PolarHBondContact N-O 3.18Å; T595-T599 PolarHBondContact OG1-N 3.29Å; T595-T599 PolarHBondContact OG1-OG1 2.75Å; E597-T599 VanDerWaalsContact C-N 3.32Å; E597-T599 PolarHBondContact O-N 2.86Å; T599-L648 HydrophobicContact CG2-CD2 3.24Å
600C91.9Very high92Very high23 Ų2346.3 Ų46.316%0.15527%0.266CS..BIsolated β-bridgetrans-123.8133.3174.8-178.90000109.1C590 W594 G602 I604C590-C600 WeakPolarHBondContact CA-SG 2.79Å; C590-C600 HydrophobicContact CB-CB 3.72Å; C590-C600 WeakPolarHBondContact CB-SG 3.49Å; C590-C600 WeakPolarHBondContact SG-CB 3.33Å; C590-C600 CovalentContact SG-SG 2.02Å; C590-C600 PolarHBondContact SG-SG 2.92Å; W594-C600 HydrophobicContact CE3-CB 4.22Å; W594-C600 HydrophobicContact CZ3-CB 4.02Å; C600-G602 PolarHBondContact SG-N 3.46Å; C600-G602 VanDerWaalsContact SG-N 3.4Å; C600-G602 PolarHBondContact SG-O 3Å; C600-I604 HydrophobicContact CB-CD1 3.83Å; C600-I604 HydrophobicContact CB-CG1 3.55Å
601S91.7Very high92.2Very high108 Ų10845.9 Ų45.976%0.75526%0.264SS*.SBendtrans-84.1-14.9174.352.50000113.3T592T592-S601 PolarHBondContact OG1-OG 3.43Å
602G92.6Very high92.3Very high27 Ų2742.8 Ų42.828%0.27824%0.242SC..SBendtrans-104.9-167175.400000112.7S591 T592 C600S591-G602 WeakPolarHBondContact OG-CA 2.97Å; T592-G602 PolarHBondContact OG1-N 3.05Å; C600-G602 PolarHBondContact SG-N 3.46Å; C600-G602 VanDerWaalsContact SG-N 3.4Å; C600-G602 PolarHBondContact SG-O 3Å
603E92.3Very high92.5Very high161 Ų16139.6 Ų39.675%0.75222%0.222SC*.  trans-64.5136.3173.2-63-179.7178.100111.6S591S591-E603 WeakPolarHBondContact CB-O 3.31Å; S591-E603 PolarHBondContact N-O 2.92Å; S591-E603 PolarHBondContact OG-N 3.38Å; S591-E603 PolarHBondContact OG-O 3.5Å
604I94.3Very high92.7Very high21 Ų2134.9 Ų34.911%0.10820%0.199CC..EExtended strand (participates in β ladder)trans-100.6143.2172.8-58.2173.8000108.7A588 R589 W594 C600 T606 W649 E653 H657A588-I604 HydrophobicContact CB-CG2 4.38Å; R589-I604 WeakPolarHBondContact O-CA 3.04Å; W594-I604 HydrophobicContact CH2-CG2 4.33Å; C600-I604 HydrophobicContact CB-CD1 3.83Å; C600-I604 HydrophobicContact CB-CG1 3.55Å; I604-T606 HydrophobicContact CG2-CG2 4.34Å; I604-W649 HydrophobicContact CD1-CD2 3.61Å; I604-W649 HydrophobicContact CD1-CE3 3.66Å; I604-W649 HydrophobicContact CD1-CG 4.05Å; I604-W649 HydrophobicContact CD1-CH2 4.38Å; I604-W649 HydrophobicContact CD1-CZ2 4.32Å; I604-W649 HydrophobicContact CD1-CZ3 4.07Å; I604-W649 HydrophobicContact CG2-CE3 4.34Å; I604-W649 HydrophobicContact CG2-CH2 3.9Å; I604-W649 HydrophobicContact CG2-CZ3 3.74Å; I604-E653 HydrophobicContact CD1-CG 4.41Å; I604-H657 PolarHBondContact O-CE1 2.9Å
605S94.5Very high92.9Very high23 Ų2339.5 Ų39.516%0.16122%0.216CC..EExtended strand (participates in β ladder)trans-129.9133.7169.2177.90000108.7A588 R589 W666A588-S605 CarbonylContact C-O 3.58Å; A588-S605 WeakPolarHBondContact CA-O 3.4Å; R589-S605 PolarHBondContact N-O 3Å; R589-S605 PolarHBondContact O-N 3.01Å; S605-W666 VanDerWaalsContact O-CZ2 3.27Å; S605-W666 WeakPolarHBondContact O-CZ2 3.47Å; S605-W666 PolarHBondContact OG-NE1 3.16Å
606T96Very high93.2Very high1 Ų142.8 Ų42.81%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-114.7147.3-177.751.50000111.5A587 A588 I604 F646 W649 H657 N662A587-T606 CarbonylContact O-C 3.41Å; A587-T606 VanDerWaalsContact O-CA 3.31Å; A587-T606 WeakPolarHBondContact O-CA 3.46Å; A588-T606 HydrophobicContact CB-CG2 4Å; I604-T606 HydrophobicContact CG2-CG2 4.34Å; T606-F646 HydrophobicContact CG2-CE2 4.12Å; T606-F646 HydrophobicContact CG2-CZ 4.48Å; T606-W649 HydrophobicContact CG2-CH2 4.43Å; T606-W649 HydrophobicContact CG2-CZ3 4.18Å; T606-H657 HydrophobicContact CG2-CB 4Å; T606-H657 VanDerWaalsContact CG2-ND1 3.31Å; T606-H657 WeakPolarHBondContact CG2-ND1 3.47Å; T606-H657 PolarHBondContact OG1-ND1 3.44Å; T606-N662 PolarHBondContact O-OD1 3.21Å; T606-N662 VanDerWaalsContact O-OD1 3.06Å
607M96.9Very high94Very high1 Ų140.1 Ų40.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-133.2124.9172.5-175.2151.5-66.600108.1Y544 I586 A587 F609 L665 W666Y544-M607 HydrophobicContact CE2-SD 4.2Å; I586-M607 CarbonylContact C-O 3.59Å; I586-M607 WeakPolarHBondContact CA-O 3.34Å; A587-M607 HydrophobicContact CB-CB 4.47Å; A587-M607 PolarHBondContact N-O 2.89Å; A587-M607 PolarHBondContact O-N 2.97Å; M607-F609 HydrophobicContact CG-CE1 4.38Å; M607-F609 HydrophobicContact CG-CE2 3.61Å; M607-F609 HydrophobicContact CG-CZ 3.5Å; M607-F609 VanDerWaalsContact CG-CZ 3.5Å; M607-F609 HydrophobicContact SD-CE2 4.33Å; M607-F609 HydrophobicContact SD-CZ 3.76Å; M607-L665 HydrophobicContact CE-CB 4.44Å; M607-L665 HydrophobicContact CE-CD2 4.46Å; M607-L665 HydrophobicContact SD-CB 4.15Å; M607-L665 HydrophobicContact SD-CD2 3.83Å; M607-W666 HydrophobicContact CB-CD2 4.45Å; M607-W666 HydrophobicContact CB-CH2 4.1Å; M607-W666 HydrophobicContact CB-CZ2 3.71Å; M607-W666 HydrophobicContact CE-CB 4.37Å; M607-W666 VanDerWaalsContact CE-CD1 3.48Å; M607-W666 HydrophobicContact CE-CD2 4.08Å; M607-W666 HydrophobicContact CE-CG 3.74Å; M607-W666 VanDerWaalsContact CE-N 3.29Å; M607-W666 HydrophobicContact SD-CD2 4.45Å; M607-W666 HydrophobicContact SD-CG 4.45Å
608S97.9Very high94.8Very high0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-134.9143.1-172.436.40000111.7C585 T631 A632C585-S608 CarbonylContact O-C 3.51Å; C585-S608 VanDerWaalsContact O-CA 3.29Å; C585-S608 WeakPolarHBondContact O-CA 3.11Å; S608-T631 CarbonylContact O-C 3.53Å; S608-T631 WeakPolarHBondContact O-CA 3.47Å; S608-T631 WeakPolarHBondContact O-CB 3.47Å; S608-A632 VanDerWaalsContact CB-O 3.31Å; S608-A632 WeakPolarHBondContact CB-O 3.33Å; S608-A632 PolarHBondContact O-N 3.34Å; S608-A632 PolarHBondContact OG-O 2.91Å
609F98.4Very high95.3Very high2 Ų236.5 Ų36.51%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-132143.6-175.7-52-87.7000110.7L537 F584 C585 M607 I611 L627 H630 T631 I637 L665L537-F609 HydrophobicContact CD1-CD2 4.01Å; L537-F609 HydrophobicContact CD1-CE2 3.61Å; L537-F609 HydrophobicContact CD1-CZ 4Å; L537-F609 HydrophobicContact CD2-CD2 4.41Å; F584-F609 WeakPolarHBondContact CA-O 3.46Å; F584-F609 WeakPolarHBondContact CB-O 3.33Å; C585-F609 HydrophobicContact CB-CD2 4.19Å; C585-F609 PolarHBondContact N-O 2.88Å; C585-F609 VanDerWaalsContact N-O 3.16Å; C585-F609 PolarHBondContact O-N 2.98Å; M607-F609 HydrophobicContact CG-CE1 4.38Å; M607-F609 HydrophobicContact CG-CE2 3.61Å; M607-F609 HydrophobicContact CG-CZ 3.5Å; M607-F609 VanDerWaalsContact CG-CZ 3.5Å; M607-F609 HydrophobicContact SD-CE2 4.33Å; M607-F609 HydrophobicContact SD-CZ 3.76Å; F609-I611 HydrophobicContact CB-CD1 3.99Å; F609-I611 HydrophobicContact CB-CG1 3.77Å; F609-L627 HydrophobicContact CD1-CB 4.42Å; F609-L627 WeakPolarHBondContact CD1-O 3.37Å; F609-L627 HydrophobicContact CE1-CB 4.04Å; F609-H630 WeakPolarHBondContact CA-O 3.47Å; F609-T631 HydrophobicContact CD1-CG2 3.8Å; F609-T631 HydrophobicContact CE1-CG2 3.63Å; F609-I637 WeakPolarHBondContact O-CD1 3.5Å; F609-L665 HydrophobicContact CE1-CD2 3.76Å; F609-L665 HydrophobicContact CZ-CD2 3.99Å
610A98.1Very high95.6Very high1 Ų138.6 Ų38.61%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-128.295.5165.800000108K273 I558 H630 A632 L640K273-A610 HydrophobicContact CB-CB 4.44Å; I558-A610 HydrophobicContact CD1-CB 4.3Å; A610-H630 PolarHBondContact N-O 2.72Å; A610-A632 HydrophobicContact CB-CB 3.79Å; A610-L640 HydrophobicContact CB-CD1 4.02Å
611I98.3Very high95.8Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-101.5124.1-164-51.8176.2000109.9F529 V533 W534 L537 H582 Y583 F609 H613 Y626 L627 H630F529-I611 HydrophobicContact CE2-CG2 3.75Å; F529-I611 HydrophobicContact CZ-CB 4.44Å; F529-I611 HydrophobicContact CZ-CG2 4.05Å; V533-I611 HydrophobicContact CG1-CD1 4.42Å; V533-I611 HydrophobicContact CG1-CG2 3.9Å; W534-I611 HydrophobicContact CZ3-CD1 4.38Å; L537-I611 HydrophobicContact CD2-CD1 3.83Å; H582-I611 CarbonylContact C-O 3.53Å; H582-I611 WeakPolarHBondContact CA-O 3.49Å; H582-I611 VanDerWaalsContact CB-O 3.28Å; H582-I611 WeakPolarHBondContact CB-O 3.3Å; Y583-I611 PolarHBondContact N-O 2.97Å; Y583-I611 PolarHBondContact O-N 3.34Å; F609-I611 HydrophobicContact CB-CD1 3.99Å; F609-I611 HydrophobicContact CB-CG1 3.77Å; I611-H613 PolarHBondContact O-N 3.22Å; I611-Y626 HydrophobicContact CG2-CE1 3.74Å; I611-L627 HydrophobicContact CD1-CD2 3.57Å; I611-L627 HydrophobicContact CG1-CD2 4.47Å; I611-H630 HydrophobicContact CG1-CB 4.46Å
612P97.6Very high96Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-57.5128.6174.4-2533.9000112F529 H582 K614 L618 Y626 H630F529-P612 VanDerWaalsContact CE2-O 3.25Å; F529-P612 WeakPolarHBondContact CE2-O 2.85Å; H582-P612 WeakPolarHBondContact CD2-CA 3.21Å; P612-K614 HydrophobicContact CB-CG 3.92Å; P612-K614 PolarHBondContact O-N 2.93Å; P612-K614 VanDerWaalsContact O-N 3.12Å; P612-L618 HydrophobicContact CB-CD1 4.22Å; P612-L618 HydrophobicContact CG-CD1 4.15Å; P612-Y626 PolarHBondContact O-OH 3.34Å; P612-H630 VanDerWaalsContact CD-CE1 3.45Å; P612-H630 WeakPolarHBondContact CD-CE1 3.38Å; P612-H630 VanDerWaalsContact CD-ND1 3.28Å; P612-H630 WeakPolarHBondContact CD-ND1 3.29Å; P612-H630 WeakPolarHBondContact CG-CE1 3.45Å
613H97.4Very high96.3Very high8 Ų841 Ų414%0.03720%0.195CC..  trans-84.785.7178.2-179.5-144.3000109.9P524 M525 Y526 F529 P580 S581 Y583 I611P524-H613 PolarHBondContact O-CE1 3.44Å; P524-H613 VanDerWaalsContact O-CE1 3.27Å; M525-H613 VanDerWaalsContact CA-NE2 3.29Å; M525-H613 WeakPolarHBondContact CA-NE2 3.12Å; Y526-H613 AromaticContact CD2-CD2 3.64Å; Y526-H613 AromaticContact CD2-CE1 3.73Å; Y526-H613 AromaticContact CD2-NE2 3.23Å; Y526-H613 WeakPolarHBondContact CD2-NE2 3.36Å; Y526-H613 AromaticContact CE2-CE1 3.97Å; Y526-H613 AromaticContact CE2-NE2 3.91Å; Y526-H613 AromaticContact CG-NE2 3.79Å; Y526-H613 PolarHBondContact N-NE2 3.2Å; F529-H613 AromaticContact CD1-CD2 3.84Å; F529-H613 AromaticContact CG-CD2 3.69Å; P580-H613 WeakPolarHBondContact O-CB 3.4Å; P580-H613 PolarHBondContact O-ND1 3.3Å; S581-H613 VanDerWaalsContact O-CB 3.29Å; S581-H613 WeakPolarHBondContact O-CB 3.45Å; S581-H613 PolarHBondContact O-N 3.27Å; Y583-H613 HydrophobicContact CD2-CB 4.09Å; Y583-H613 HydrophobicContact CE2-CB 4.17Å; Y583-H613 AromaticContact CE2-CD2 3.93Å; Y583-H613 AromaticContact CE2-CG 3.72Å; Y583-H613 AromaticContact CE2-ND1 3.9Å; I611-H613 PolarHBondContact O-N 3.22Å
614K95.5Very high96.5Very high58 Ų5836.3 Ų36.325%0.25217%0.171SC..  trans-122.8157.2-174.4-60.7-71.2168.7142.10111.4S269 D270 F529 P612 E616 L618S269-K614 PolarHBondContact OG-NZ 3.29Å; D270-K614 WeakPolarHBondContact OD1-CE 3.27Å; D270-K614 IonicContact OD1-NZ 3.11Å; D270-K614 PolarHBondContact OD1-NZ 3.38Å; D270-K614 IonicContact OD2-NZ 2.69Å; F529-K614 WeakPolarHBondContact CB-O 3.33Å; P612-K614 HydrophobicContact CB-CG 3.92Å; P612-K614 PolarHBondContact O-N 2.93Å; P612-K614 VanDerWaalsContact O-N 3.12Å; K614-E616 VanDerWaalsContact C-N 3.3Å; K614-E616 PolarHBondContact O-N 3.19Å; K614-L618 HydrophobicContact CG-CD2 4.24Å
615R94.8Very high96.6Very high127 Ų12737 Ų3748%0.47918%0.181SC..SBendtrans-70.9-26.7-179.6-69.5-180178.8-177.3-2.3113R490 Y526 S528R490-R615 PolarHBondContact O-NH2 2.97Å; Y526-R615 HydrophobicContact CD1-CG 3.59Å; Y526-R615 HydrophobicContact CD2-CG 3.92Å; Y526-R615 HydrophobicContact CE1-CG 3.7Å; Y526-R615 VanDerWaalsContact CE1-NE 3.28Å; Y526-R615 HydrophobicContact CE2-CG 4.03Å; Y526-R615 HydrophobicContact CG-CG 3.72Å; S528-R615 WeakPolarHBondContact CB-O 3.38Å; S528-R615 WeakPolarHBondContact OG-CA 3.21Å; S528-R615 PolarHBondContact OG-O 3.14Å
616E94.3Very high96.7Very high110 Ų11036.1 Ų36.151%0.51417%0.173SC..SBendtrans-130.6156.3178.9-64.1-58.2157.700109.8K532 K614 L618K532-E616 IonicContact NZ-OE1 3.86Å; K532-E616 IonicContact NZ-OE2 3.49Å; K532-E616 PolarHBondContact NZ-OE2 3.26Å; K614-E616 VanDerWaalsContact C-N 3.3Å; K614-E616 PolarHBondContact O-N 3.19Å; E616-L618 PolarHBondContact O-N 2.88Å
617I97Very high96.8Very high26 Ų2636.1 Ų36.113%0.13317%0.173CC..  trans-67.6122.7171.7-66.6173.2000107.8K532 V533 C620 Q621 R623 Y626K532-I617 HydrophobicContact CB-CD1 4.17Å; V533-I617 HydrophobicContact CG2-CD1 4.18Å; V533-I617 HydrophobicContact CG2-CG1 3.72Å; I617-C620 PolarHBondContact O-N 3.13Å; I617-Q621 HydrophobicContact CG2-CB 4.13Å; I617-Q621 VanDerWaalsContact CG2-O 3.32Å; I617-Q621 WeakPolarHBondContact CG2-O 3.42Å; I617-R623 HydrophobicContact CD1-CG 3.81Å; I617-Y626 HydrophobicContact CG2-CD1 4.27Å; I617-Y626 HydrophobicContact CG2-CD2 3.65Å; I617-Y626 HydrophobicContact CG2-CE2 4.18Å; I617-Y626 HydrophobicContact CG2-CG 3.7Å
618L96.2Very high96.8Very high8 Ų837.9 Ų37.94%0.04218%0.183CC..G310 helixtrans-60143.7-177.9-60.3169.9000110.7Y253 D270 P612 K614 E616 C620 Q621 Y626Y253-L618 WeakPolarHBondContact OH-CD2 3.11Å; D270-L618 HydrophobicContact CB-CD1 3.78Å; D270-L618 HydrophobicContact CB-CD2 4.42Å; P612-L618 HydrophobicContact CB-CD1 4.22Å; P612-L618 HydrophobicContact CG-CD1 4.15Å; K614-L618 HydrophobicContact CG-CD2 4.24Å; E616-L618 PolarHBondContact O-N 2.88Å; L618-C620 PolarHBondContact O-N 2.94Å; L618-Q621 WeakPolarHBondContact O-CG 3.33Å; L618-Q621 PolarHBondContact O-N 3.24Å; L618-Y626 HydrophobicContact CB-CE2 3.93Å; L618-Y626 HydrophobicContact CD1-CE2 4.23Å; L618-Y626 HydrophobicContact CG-CE2 4.14Å
619N96.9Very high96.8Very high17 Ų1738.8 Ų38.89%0.09119%0.187CC..G310 helixtrans56.317.7178.8-62.2-70.6000115.3Y253 C258 R264 V265 Q621Y253-N619 PolarHBondContact OH-N 3.21Å; C258-N619 VanDerWaalsContact SG-C 3.55Å; R264-N619 HydrophobicContact CG-CB 4.44Å; V265-N619 PolarHBondContact N-OD1 3.27Å; V265-N619 PolarHBondContact O-ND2 2.87Å; V265-N619 PolarHBondContact O-OD1 2.79Å; N619-Q621 HydrophobicContact CB-CG 4.02Å; N619-Q621 PolarHBondContact O-N 3.12Å; N619-Q621 VanDerWaalsContact O-N 3.14Å
620C95.7Very high96.7Very high89 Ų8938.8 Ų38.860%0.60119%0.187SC*.G310 helixtrans52.732.9-175.6-63.20000113C258 I617 L618C258-C620 HydrophobicContact CB-CB 3.78Å; C258-C620 WeakPolarHBondContact CB-SG 3.44Å; C258-C620 WeakPolarHBondContact SG-CB 3.27Å; C258-C620 PolarHBondContact SG-N 3.22Å; C258-C620 CovalentContact SG-SG 2.03Å; C258-C620 PolarHBondContact SG-SG 3.49Å; I617-C620 PolarHBondContact O-N 3.13Å; L618-C620 PolarHBondContact O-N 2.94Å
621Q96.1Very high96.7Very high26 Ų2638.9 Ų38.912%0.12119%0.188CC..  trans-64.8148.8179.6-69.5-177.7-107.900111.2I617 L618 N619I617-Q621 HydrophobicContact CG2-CB 4.13Å; I617-Q621 VanDerWaalsContact CG2-O 3.32Å; I617-Q621 WeakPolarHBondContact CG2-O 3.42Å; L618-Q621 WeakPolarHBondContact O-CG 3.33Å; L618-Q621 PolarHBondContact O-N 3.24Å; N619-Q621 HydrophobicContact CB-CG 4.02Å; N619-Q621 PolarHBondContact O-N 3.12Å; N619-Q621 VanDerWaalsContact O-N 3.14Å
622E96.2Very high96.7Very high107 Ų10739 Ų3950%0.519%0.189SC..  trans-64.3147.3165.5-177.5-80.8132.100109.6Y624 A625 Y626E622-Y624 VanDerWaalsContact C-N 3.34Å; E622-Y624 VanDerWaalsContact CD-N 3.34Å; E622-Y624 PolarHBondContact O-N 2.86Å; E622-Y624 VanDerWaalsContact OE1-CB 3.32Å; E622-Y624 WeakPolarHBondContact OE1-CB 3.48Å; E622-Y624 PolarHBondContact OE1-N 3.33Å; E622-Y624 VanDerWaalsContact OE2-CB 3.24Å; E622-Y624 WeakPolarHBondContact OE2-CB 3.44Å; E622-Y624 PolarHBondContact OE2-N 3.08Å; E622-A625 PolarHBondContact O-N 3Å; E622-A625 VanDerWaalsContact O-N 3.15Å; E622-A625 PolarHBondContact OE2-N 3.31Å; E622-A625 VanDerWaalsContact OE2-N 3.13Å; E622-Y626 WeakPolarHBondContact O-CB 3.23Å; E622-Y626 PolarHBondContact O-N 3.46Å
623R97.1Very high96.5Very high74 Ų7439.3 Ų39.328%0.27919%0.19SC..Hα-helixtrans-60.7-39.9-167.3-69.4-180-70.2-174.6-3.6112.6K532 Y536 I617 Y626 L627K532-R623 WeakPolarHBondContact O-CD 3.37Å; Y536-R623 HydrophobicContact CD1-CB 3.7Å; Y536-R623 HydrophobicContact CD2-CB 4.28Å; Y536-R623 HydrophobicContact CE1-CB 3.69Å; Y536-R623 HydrophobicContact CE2-CB 4.27Å; Y536-R623 HydrophobicContact CG-CB 4.01Å; I617-R623 HydrophobicContact CD1-CG 3.81Å; R623-Y626 PolarHBondContact O-N 2.5Å; R623-L627 WeakPolarHBondContact O-CG 3.28Å; R623-L627 PolarHBondContact O-N 2.81Å
624Y96.8Very high96.5Very high63 Ų6339 Ų3925%0.24719%0.188CC..Hα-helixtrans-62.9-51.1174.8-179.4-83.4000110.8E622 Y626 L627 L628 D664 L665E622-Y624 VanDerWaalsContact C-N 3.34Å; E622-Y624 VanDerWaalsContact CD-N 3.34Å; E622-Y624 PolarHBondContact O-N 2.86Å; E622-Y624 VanDerWaalsContact OE1-CB 3.32Å; E622-Y624 WeakPolarHBondContact OE1-CB 3.48Å; E622-Y624 PolarHBondContact OE1-N 3.33Å; E622-Y624 VanDerWaalsContact OE2-CB 3.24Å; E622-Y624 WeakPolarHBondContact OE2-CB 3.44Å; E622-Y624 PolarHBondContact OE2-N 3.08Å; Y624-Y626 VanDerWaalsContact C-N 3.28Å; Y624-Y626 PolarHBondContact O-N 3.08Å; Y624-L627 PolarHBondContact O-N 2.8Å; Y624-L628 HydrophobicContact CE1-CD2 4.2Å; Y624-L628 WeakPolarHBondContact O-CB 3.43Å; Y624-L628 PolarHBondContact O-N 3.5Å; Y624-D664 PolarHBondContact OH-OD1 3.33Å; Y624-L665 HydrophobicContact CD2-CD1 3.62Å; Y624-L665 HydrophobicContact CD2-CG 4.33Å; Y624-L665 HydrophobicContact CE1-CG 4.44Å; Y624-L665 HydrophobicContact CE2-CB 3.72Å; Y624-L665 HydrophobicContact CE2-CD1 3.51Å; Y624-L665 HydrophobicContact CE2-CG 3.76Å; Y624-L665 HydrophobicContact CG-CD1 4.22Å
625A96Very high96.4Very high37 Ų3739.2 Ų39.231%0.30619%0.188SC..Hα-helixtrans-60.1-36.9177.700000112.9E622 M629E622-A625 PolarHBondContact O-N 3Å; E622-A625 VanDerWaalsContact O-N 3.15Å; E622-A625 PolarHBondContact OE2-N 3.31Å; E622-A625 VanDerWaalsContact OE2-N 3.13Å; A625-M629 WeakPolarHBondContact O-CB 3.38Å; A625-M629 PolarHBondContact O-N 3.39Å
626Y97.8Very high96.4Very high3 Ų333.2 Ų33.21%0.01217%0.165CC..Hα-helixtrans-64.8-50.2175.7-176.6-108.7000111.6V533 I611 P612 I617 L618 E622 R623 Y624 L628 M629 H630V533-Y626 HydrophobicContact CG1-CD1 4.13Å; V533-Y626 HydrophobicContact CG1-CE1 3.89Å; V533-Y626 HydrophobicContact CG2-CD1 4.25Å; V533-Y626 HydrophobicContact CG2-CE1 3.99Å; I611-Y626 HydrophobicContact CG2-CE1 3.74Å; P612-Y626 PolarHBondContact O-OH 3.34Å; I617-Y626 HydrophobicContact CG2-CD1 4.27Å; I617-Y626 HydrophobicContact CG2-CD2 3.65Å; I617-Y626 HydrophobicContact CG2-CE2 4.18Å; I617-Y626 HydrophobicContact CG2-CG 3.7Å; L618-Y626 HydrophobicContact CB-CE2 3.93Å; L618-Y626 HydrophobicContact CD1-CE2 4.23Å; L618-Y626 HydrophobicContact CG-CE2 4.14Å; E622-Y626 WeakPolarHBondContact O-CB 3.23Å; E622-Y626 PolarHBondContact O-N 3.46Å; R623-Y626 PolarHBondContact O-N 2.5Å; Y624-Y626 VanDerWaalsContact C-N 3.28Å; Y624-Y626 PolarHBondContact O-N 3.08Å; Y626-L628 VanDerWaalsContact C-N 3.32Å; Y626-L628 PolarHBondContact O-N 3.44Å; Y626-M629 PolarHBondContact O-N 3.16Å; Y626-H630 AromaticContact CD2-CD2 3.65Å; Y626-H630 AromaticContact CD2-NE2 3.78Å; Y626-H630 AromaticContact CE2-CD2 3.38Å; Y626-H630 WeakPolarHBondContact CE2-CD2 3.34Å; Y626-H630 AromaticContact CE2-NE2 3.25Å; Y626-H630 WeakPolarHBondContact CE2-NE2 3.19Å; Y626-H630 AromaticContact CZ-CD2 3.64Å; Y626-H630 AromaticContact CZ-NE2 3.76Å; Y626-H630 PolarHBondContact O-CD2 2.78Å; Y626-H630 PolarHBondContact O-N 3.4Å
627L98.1Very high96.6Very high1 Ų128 Ų281%0.00514%0.141CC..Hα-helixtrans-59.4-44175.8-72.8-172.7000111.8V533 Y536 L537 L540 F609 I611 R623 Y624 M629 H630 T631 L665V533-L627 HydrophobicContact CG1-CD2 4.14Å; Y536-L627 HydrophobicContact CD1-CD1 3.64Å; Y536-L627 HydrophobicContact CD1-CG 4.35Å; Y536-L627 HydrophobicContact CE1-CD1 3.71Å; Y536-L627 HydrophobicContact CE1-CG 4.45Å; L537-L627 HydrophobicContact CB-CD1 4.09Å; L537-L627 HydrophobicContact CB-CD2 4.37Å; L537-L627 HydrophobicContact CD1-CD1 4.08Å; L540-L627 HydrophobicContact CD2-CD1 4.17Å; F609-L627 HydrophobicContact CD1-CB 4.42Å; F609-L627 WeakPolarHBondContact CD1-O 3.37Å; F609-L627 HydrophobicContact CE1-CB 4.04Å; I611-L627 HydrophobicContact CD1-CD2 3.57Å; I611-L627 HydrophobicContact CG1-CD2 4.47Å; R623-L627 WeakPolarHBondContact O-CG 3.28Å; R623-L627 PolarHBondContact O-N 2.81Å; Y624-L627 PolarHBondContact O-N 2.8Å; L627-M629 VanDerWaalsContact C-N 3.33Å; L627-M629 PolarHBondContact O-N 3.09Å; L627-H630 CarbonylContact O-C 3.5Å; L627-H630 PolarHBondContact O-N 3.16Å; L627-T631 PolarHBondContact O-N 2.94Å; L627-L665 HydrophobicContact CB-CD1 4.3Å
628L97.2Very high96.5Very high38 Ų3826.8 Ų26.820%0.19914%0.135CC..Hα-helixtrans-60.8-42.9179.5-179.855.9000111.8Y624 Y626 H630 T631 L665Y624-L628 HydrophobicContact CE1-CD2 4.2Å; Y624-L628 WeakPolarHBondContact O-CB 3.43Å; Y624-L628 PolarHBondContact O-N 3.5Å; Y626-L628 VanDerWaalsContact C-N 3.32Å; Y626-L628 PolarHBondContact O-N 3.44Å; L628-H630 VanDerWaalsContact C-N 3.27Å; L628-H630 PolarHBondContact O-N 2.84Å; L628-T631 HydrophobicContact CD1-CG2 4.31Å; L628-T631 PolarHBondContact O-N 3.14Å; L628-T631 PolarHBondContact O-OG1 3.46Å; L628-L665 HydrophobicContact CB-CD2 4.37Å; L628-L665 HydrophobicContact CB-CG 4.45Å; L628-L665 HydrophobicContact CD1-CD2 4.05Å; L628-L665 HydrophobicContact CD1-CG 4.43Å
629M96.9Very high96.4Very high20 Ų2028.2 Ų28.210%0.09914%0.142CC..Hα-helixtrans-59.9-39.3177.5-170.553.752.200112.3Y266 P272 R274 F275 A625 Y626 L627Y266-M629 WeakPolarHBondContact OH-CG 3.44Å; P272-M629 HydrophobicContact CG-CG 3.86Å; P272-M629 HydrophobicContact CG-SD 4.16Å; R274-M629 PolarHBondContact NE-O 3.23Å; R274-M629 VanDerWaalsContact NE-O 3.15Å; R274-M629 PolarHBondContact NH2-SD 3.13Å; F275-M629 HydrophobicContact CZ-SD 4.4Å; A625-M629 WeakPolarHBondContact O-CB 3.38Å; A625-M629 PolarHBondContact O-N 3.39Å; Y626-M629 PolarHBondContact O-N 3.16Å; L627-M629 VanDerWaalsContact C-N 3.33Å; L627-M629 PolarHBondContact O-N 3.09Å
630H97.6Very high96.3Very high2 Ų227.5 Ų27.51%0.00914%0.138CC..THydrogen-bonded Turntrans-94.415.5-179.1-67.1-67.1000114.3F609 A610 I611 P612 Y626 L627 L628F609-H630 WeakPolarHBondContact CA-O 3.47Å; A610-H630 PolarHBondContact N-O 2.72Å; I611-H630 HydrophobicContact CG1-CB 4.46Å; P612-H630 VanDerWaalsContact CD-CE1 3.45Å; P612-H630 WeakPolarHBondContact CD-CE1 3.38Å; P612-H630 VanDerWaalsContact CD-ND1 3.28Å; P612-H630 WeakPolarHBondContact CD-ND1 3.29Å; P612-H630 WeakPolarHBondContact CG-CE1 3.45Å; Y626-H630 AromaticContact CD2-CD2 3.65Å; Y626-H630 AromaticContact CD2-NE2 3.78Å; Y626-H630 AromaticContact CE2-CD2 3.38Å; Y626-H630 WeakPolarHBondContact CE2-CD2 3.34Å; Y626-H630 AromaticContact CE2-NE2 3.25Å; Y626-H630 WeakPolarHBondContact CE2-NE2 3.19Å; Y626-H630 AromaticContact CZ-CD2 3.64Å; Y626-H630 AromaticContact CZ-NE2 3.76Å; Y626-H630 PolarHBondContact O-CD2 2.78Å; Y626-H630 PolarHBondContact O-N 3.4Å; L627-H630 CarbonylContact O-C 3.5Å; L627-H630 PolarHBondContact O-N 3.16Å; L628-H630 VanDerWaalsContact C-N 3.27Å; L628-H630 PolarHBondContact O-N 2.84Å
631T97.9Very high96.3Very high2 Ų223.3 Ų23.31%0.01211%0.11CC..BIsolated β-bridgetrans-59.9144.9161.351.90000109.4R274 K316 S608 F609 L627 L628 N662 L665R274-T631 WeakPolarHBondContact CD-O 3.47Å; K316-T631 PolarHBondContact NZ-OG1 3.48Å; S608-T631 CarbonylContact O-C 3.53Å; S608-T631 WeakPolarHBondContact O-CA 3.47Å; S608-T631 WeakPolarHBondContact O-CB 3.47Å; F609-T631 HydrophobicContact CD1-CG2 3.8Å; F609-T631 HydrophobicContact CE1-CG2 3.63Å; L627-T631 PolarHBondContact O-N 2.94Å; L628-T631 HydrophobicContact CD1-CG2 4.31Å; L628-T631 PolarHBondContact O-N 3.14Å; L628-T631 PolarHBondContact O-OG1 3.46Å; T631-N662 HydrophobicContact CG2-CB 4.1Å; T631-L665 HydrophobicContact CG2-CD2 3.97Å
632A96.8Very high96Very high4 Ų422.1 Ų22.13%0.03311%0.105CC..  trans-137.5158.4-179.100000108.8S608 A610 D636 I637S608-A632 VanDerWaalsContact CB-O 3.31Å; S608-A632 WeakPolarHBondContact CB-O 3.33Å; S608-A632 PolarHBondContact O-N 3.34Å; S608-A632 PolarHBondContact OG-O 2.91Å; A610-A632 HydrophobicContact CB-CB 3.79Å; A632-D636 HydrophobicContact CB-CB 4.11Å; A632-I637 HydrophobicContact CB-CG1 4.39Å
633R95.3Very high95.9Very high6 Ų617 Ų172%0.0238%0.081CC..  trans-71.4154.7169.9-54.6175.1-61.2164.67.1108.6Y50 H276 R635 D636 I637 R658 I661Y50-R633 PolarHBondContact OH-NH1 3.26Å; Y50-R633 PolarHBondContact OH-NH2 3.17Å; H276-R633 PolarHBondContact NE2-NH2 3.08Å; R633-R635 HydrophobicContact CB-CB 4.49Å; R633-R635 PolarHBondContact O-N 3.27Å; R633-D636 VanDerWaalsContact CB-OD2 3.26Å; R633-D636 WeakPolarHBondContact CB-OD2 3.35Å; R633-D636 WeakPolarHBondContact CG-OD2 3.27Å; R633-D636 IonicContact CZ-OD1 3.95Å; R633-D636 PolarHBondContact N-OD2 2.94Å; R633-D636 IonicContact NE-OD1 3.6Å; R633-D636 PolarHBondContact NE-OD1 3.1Å; R633-D636 VanDerWaalsContact NE-OD1 3.1Å; R633-D636 IonicContact NE-OD2 2.76Å; R633-D636 PolarHBondContact NE-OD2 3.36Å; R633-D636 IonicContact NH2-OD1 3.42Å; R633-D636 PolarHBondContact NH2-OD1 3.19Å; R633-D636 WeakPolarHBondContact O-CB 3.24Å; R633-D636 PolarHBondContact O-N 3.2Å; R633-I637 PolarHBondContact O-N 3.06Å; R633-R658 VanDerWaalsContact CB-O 3.32Å; R633-R658 WeakPolarHBondContact CB-O 3.33Å; R633-I661 HydrophobicContact CG-CG1 3.9Å
634V95.5Very high95.6Very high0 Ų015.2 Ų15.20%08%0.075CC..Hα-helixtrans-58.5-35.6171.81720000109.7I586 D636 I637 E638 F645 F646 R658I586-V634 HydrophobicContact CD1-CG1 4.27Å; I586-V634 HydrophobicContact CD1-CG2 4.42Å; I586-V634 HydrophobicContact CG2-CG2 4.09Å; V634-D636 VanDerWaalsContact C-N 3.32Å; V634-D636 PolarHBondContact O-N 3.34Å; V634-I637 PolarHBondContact O-N 2.68Å; V634-I637 VanDerWaalsContact O-N 3.12Å; V634-E638 HydrophobicContact CG1-CG 4.41Å; V634-E638 WeakPolarHBondContact O-CG 3.43Å; V634-E638 PolarHBondContact O-N 3.04Å; V634-F645 HydrophobicContact CG1-CB 4.02Å; V634-F645 HydrophobicContact CG1-CD2 3.84Å; V634-F645 HydrophobicContact CG1-CG 4.3Å; V634-F646 HydrophobicContact CG1-CD2 4.18Å; V634-F646 HydrophobicContact CG1-CE2 4.11Å; V634-F646 HydrophobicContact CG2-CE2 3.98Å; V634-R658 HydrophobicContact CG1-CG 4.45Å
635R94.1Very high95.3Very high63 Ų6312.3 Ų12.324%0.2386%0.063CC..Hα-helixtrans-59.2-38.4174.1-177.856.5-179163.54.8113.8R633 I637 E638 L639 R658 L659R633-R635 HydrophobicContact CB-CB 4.49Å; R633-R635 PolarHBondContact O-N 3.27Å; R635-I637 VanDerWaalsContact C-N 3.29Å; R635-I637 PolarHBondContact O-N 3.3Å; R635-E638 WeakPolarHBondContact CD-OE2 3.32Å; R635-E638 IonicContact NH1-OE2 2.87Å; R635-E638 PolarHBondContact NH1-OE2 2.8Å; R635-E638 WeakPolarHBondContact O-CB 3.15Å; R635-E638 PolarHBondContact O-N 3Å; R635-L639 WeakPolarHBondContact O-CG 3.41Å; R635-L639 PolarHBondContact O-N 2.95Å; R635-L639 VanDerWaalsContact O-N 3.09Å; R635-R658 HydrophobicContact CB-CB 4.22Å; R635-R658 WeakPolarHBondContact CB-O 3.15Å; R635-R658 PolarHBondContact N-O 3.46Å; R635-L659 HydrophobicContact CB-CD2 4.22Å; R635-L659 HydrophobicContact CG-CD2 4.48Å
636D96.1Very high95Very high1 Ų110.6 Ų10.61%0.0055%0.049CC..Hα-helixtrans-64.8-39.8177.5-56.7-38.5000110.1H276 A632 R633 V634 L639 L640H276-D636 IonicContact CE1-OD1 3.06Å; H276-D636 PolarHBondContact CE1-OD1 3.08Å; H276-D636 VanDerWaalsContact CE1-OD1 3.24Å; H276-D636 IonicContact NE2-OD1 2.64Å; H276-D636 PolarHBondContact NE2-OD1 3.11Å; A632-D636 HydrophobicContact CB-CB 4.11Å; R633-D636 VanDerWaalsContact CB-OD2 3.26Å; R633-D636 WeakPolarHBondContact CB-OD2 3.35Å; R633-D636 WeakPolarHBondContact CG-OD2 3.27Å; R633-D636 IonicContact CZ-OD1 3.95Å; R633-D636 PolarHBondContact N-OD2 2.94Å; R633-D636 IonicContact NE-OD1 3.6Å; R633-D636 PolarHBondContact NE-OD1 3.1Å; R633-D636 VanDerWaalsContact NE-OD1 3.1Å; R633-D636 IonicContact NE-OD2 2.76Å; R633-D636 PolarHBondContact NE-OD2 3.36Å; R633-D636 IonicContact NH2-OD1 3.42Å; R633-D636 PolarHBondContact NH2-OD1 3.19Å; R633-D636 WeakPolarHBondContact O-CB 3.24Å; R633-D636 PolarHBondContact O-N 3.2Å; V634-D636 VanDerWaalsContact C-N 3.32Å; V634-D636 PolarHBondContact O-N 3.34Å; D636-L639 PolarHBondContact O-N 3.26Å; D636-L640 WeakPolarHBondContact O-CB 3.06Å; D636-L640 WeakPolarHBondContact O-CD1 3.48Å; D636-L640 WeakPolarHBondContact O-CG 3.47Å; D636-L640 PolarHBondContact O-N 2.97Å
637I97.1Very high94.4Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-68.1-37.8176.2-62168.6000111.2F584 I586 F609 A632 R633 V634 R635 L639 L640 S641 F645F584-I637 HydrophobicContact CB-CD1 4.04Å; F584-I637 HydrophobicContact CB-CG1 4.07Å; F584-I637 HydrophobicContact CB-CG2 3.65Å; F584-I637 HydrophobicContact CD1-CG2 3.96Å; F584-I637 HydrophobicContact CD2-CG2 3.6Å; F584-I637 HydrophobicContact CE1-CG2 4.46Å; F584-I637 HydrophobicContact CE2-CG2 4.15Å; F584-I637 HydrophobicContact CG-CG2 3.48Å; F584-I637 VanDerWaalsContact CG-CG2 3.48Å; I586-I637 HydrophobicContact CD1-CB 4.5Å; I586-I637 HydrophobicContact CD1-CD1 3.99Å; I586-I637 HydrophobicContact CD1-CG2 4.15Å; I586-I637 HydrophobicContact CG1-CD1 3.56Å; F609-I637 WeakPolarHBondContact O-CD1 3.5Å; A632-I637 HydrophobicContact CB-CG1 4.39Å; R633-I637 PolarHBondContact O-N 3.06Å; V634-I637 PolarHBondContact O-N 2.68Å; V634-I637 VanDerWaalsContact O-N 3.12Å; R635-I637 VanDerWaalsContact C-N 3.29Å; R635-I637 PolarHBondContact O-N 3.3Å; I637-L639 VanDerWaalsContact C-N 3.33Å; I637-L639 PolarHBondContact O-N 3.24Å; I637-L640 PolarHBondContact O-N 3.11Å; I637-S641 VanDerWaalsContact O-CB 3.24Å; I637-S641 WeakPolarHBondContact O-CB 3.33Å; I637-S641 PolarHBondContact O-N 3.07Å; I637-S641 PolarHBondContact O-OG 2.66Å; I637-F645 HydrophobicContact CB-CE2 4.41Å; I637-F645 HydrophobicContact CG2-CE2 3.76Å; I637-F645 HydrophobicContact CG2-CZ 4Å
638E94.8Very high93.7Very high2 Ų214.7 Ų14.71%0.0097%0.07CC..Hα-helixtrans-57.7-47.7174.6-68.2-178.7154.800111.1V634 R635 S641 G642 L643 R644 F645 R658V634-E638 HydrophobicContact CG1-CG 4.41Å; V634-E638 WeakPolarHBondContact O-CG 3.43Å; V634-E638 PolarHBondContact O-N 3.04Å; R635-E638 WeakPolarHBondContact CD-OE2 3.32Å; R635-E638 IonicContact NH1-OE2 2.87Å; R635-E638 PolarHBondContact NH1-OE2 2.8Å; R635-E638 WeakPolarHBondContact O-CB 3.15Å; R635-E638 PolarHBondContact O-N 3Å; E638-S641 PolarHBondContact O-N 2.89Å; E638-G642 PolarHBondContact O-N 2.91Å; E638-L643 WeakPolarHBondContact CA-O 3.5Å; E638-L643 WeakPolarHBondContact CB-O 3.42Å; E638-L643 WeakPolarHBondContact CG-O 3.38Å; E638-R644 VanDerWaalsContact OE1-CG 3.3Å; E638-R644 WeakPolarHBondContact OE1-CG 3.5Å; E638-F645 HydrophobicContact CG-CD2 3.57Å; E638-F645 HydrophobicContact CG-CE2 3.91Å; E638-F645 PolarHBondContact OE1-N 3.26Å; E638-R658 IonicContact OE1-CZ 2.82Å; E638-R658 IonicContact OE1-NE 2.66Å; E638-R658 PolarHBondContact OE1-NE 3.22Å; E638-R658 IonicContact OE1-NH2 3.48Å; E638-R658 PolarHBondContact OE1-NH2 3.46Å; E638-R658 IonicContact OE2-NE 2.71Å; E638-R658 PolarHBondContact OE2-NE 2.99Å
639L94.3Very high93.2Very high37 Ų3714.3 Ų14.319%0.1947%0.066CC..Hα-helixtrans-60.8-46.9176.9-67.5173000111.9G565 L566 F567 R635 D636 I637 S641G565-L639 WeakPolarHBondContact O-CB 3.44Å; L566-L639 CarbonylContact C-O 3.59Å; L566-L639 WeakPolarHBondContact CA-O 3.47Å; L566-L639 HydrophobicContact CD2-CB 4.17Å; L566-L639 HydrophobicContact CD2-CD2 4.04Å; F567-L639 PolarHBondContact N-O 3.35Å; R635-L639 WeakPolarHBondContact O-CG 3.41Å; R635-L639 PolarHBondContact O-N 2.95Å; R635-L639 VanDerWaalsContact O-N 3.09Å; D636-L639 PolarHBondContact O-N 3.26Å; I637-L639 VanDerWaalsContact C-N 3.33Å; I637-L639 PolarHBondContact O-N 3.24Å; L639-S641 PolarHBondContact O-N 2.83Å
640L95.8Very high92.6Very high2 Ų214.9 Ų14.91%0.018%0.077CC..Hα-helixtrans-71.2-25.6-177.6-73.3164.9000114.5K273 I558 D560 A610 D636 I637K273-L640 HydrophobicContact CB-CD1 3.86Å; K273-L640 HydrophobicContact CD-CD2 4.25Å; K273-L640 HydrophobicContact CG-CD1 3.92Å; K273-L640 HydrophobicContact CG-CD2 4.38Å; I558-L640 HydrophobicContact CD1-CB 3.85Å; I558-L640 HydrophobicContact CD1-CD1 4Å; I558-L640 HydrophobicContact CG1-CB 3.97Å; I558-L640 HydrophobicContact CG2-CB 3.88Å; I558-L640 HydrophobicContact CG2-CD2 3.98Å; I558-L640 HydrophobicContact CG2-CG 4.41Å; D560-L640 HydrophobicContact CB-CD2 3.88Å; D560-L640 WeakPolarHBondContact OD2-CD2 3.4Å; A610-L640 HydrophobicContact CB-CD1 4.02Å; D636-L640 WeakPolarHBondContact O-CB 3.06Å; D636-L640 WeakPolarHBondContact O-CD1 3.48Å; D636-L640 WeakPolarHBondContact O-CG 3.47Å; D636-L640 PolarHBondContact O-N 2.97Å; I637-L640 PolarHBondContact O-N 3.11Å
641S94.1Very high91.9Very high1 Ų118 Ų181%0.00710%0.096CC..Hα-helixtrans-105.6-16.4-174.364.40000114.1R426 F567 I637 E638 L639 L643R426-S641 WeakPolarHBondContact CD-O 3.24Å; R426-S641 PolarHBondContact NH1-O 3.44Å; F567-S641 WeakPolarHBondContact CD2-O 3.35Å; I637-S641 VanDerWaalsContact O-CB 3.24Å; I637-S641 WeakPolarHBondContact O-CB 3.33Å; I637-S641 PolarHBondContact O-N 3.07Å; I637-S641 PolarHBondContact O-OG 2.66Å; E638-S641 PolarHBondContact O-N 2.89Å; L639-S641 PolarHBondContact O-N 2.83Å; S641-L643 PolarHBondContact O-N 3.38Å; S641-L643 WeakPolarHBondContact OG-CB 3.42Å; S641-L643 PolarHBondContact OG-N 2.72Å
642G91.5Very high91.1Very high2 Ų225.6 Ų25.62%0.02113%0.131CC..THydrogen-bonded Turntrans68.117.2-170.900000113.1E424 E638E424-G642 PolarHBondContact N-O 3.34Å; E638-G642 PolarHBondContact O-N 2.91Å
643L92.4Very high90.6Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-111.3163.3-179.9-56.3175.7000110.2V421 V422 L429 L440 F584 E638 S641 F645V421-L643 HydrophobicContact CG1-CB 4.1Å; V421-L643 HydrophobicContact CG1-CD1 4.04Å; V421-L643 HydrophobicContact CG1-CD2 4.43Å; V421-L643 HydrophobicContact CG1-CG 4.43Å; V422-L643 CarbonylContact O-C 3.59Å; V422-L643 WeakPolarHBondContact O-CA 3.38Å; L429-L643 HydrophobicContact CD1-CD2 3.67Å; L440-L643 HydrophobicContact CD1-CD2 3.84Å; F584-L643 HydrophobicContact CZ-CD1 4.33Å; E638-L643 WeakPolarHBondContact CA-O 3.5Å; E638-L643 WeakPolarHBondContact CB-O 3.42Å; E638-L643 WeakPolarHBondContact CG-O 3.38Å; S641-L643 PolarHBondContact O-N 3.38Å; S641-L643 WeakPolarHBondContact OG-CB 3.42Å; S641-L643 PolarHBondContact OG-N 2.72Å; L643-F645 HydrophobicContact CB-CE1 4.28Å; L643-F645 HydrophobicContact CB-CE2 4.22Å; L643-F645 HydrophobicContact CB-CZ 3.77Å; L643-F645 HydrophobicContact CD1-CE1 4.43Å; L643-F645 HydrophobicContact CD1-CZ 4.2Å
644R90.9Very high90.2Very high36 Ų3627.8 Ų27.814%0.13614%0.141CC..EExtended strand (participates in β ladder)trans-130.1139.3175.7-165.7-175177.2119.43110.2P382 H384 V421 V422 E424 E638 D647 R658P382-R644 VanDerWaalsContact CG-CZ 3.45Å; H384-R644 WeakPolarHBondContact CE1-CD 3.44Å; V421-R644 CarbonylContact C-O 3.35Å; V421-R644 WeakPolarHBondContact CA-O 3.35Å; V422-R644 HydrophobicContact CB-CB 4.37Å; V422-R644 PolarHBondContact N-O 2.86Å; V422-R644 PolarHBondContact O-N 2.89Å; E424-R644 HydrophobicContact CG-CB 4.05Å; E424-R644 VanDerWaalsContact OE1-CD 3.29Å; E424-R644 WeakPolarHBondContact OE1-CD 3.49Å; E424-R644 IonicContact OE1-CZ 3.02Å; E424-R644 IonicContact OE1-NE 3.66Å; E424-R644 IonicContact OE1-NH1 3.86Å; E424-R644 PolarHBondContact OE1-NH1 2.58Å; E638-R644 VanDerWaalsContact OE1-CG 3.3Å; E638-R644 WeakPolarHBondContact OE1-CG 3.5Å; R644-D647 WeakPolarHBondContact CD-OD2 3.17Å; R644-D647 VanDerWaalsContact CG-OD2 3.3Å; R644-D647 WeakPolarHBondContact CG-OD2 3.18Å; R644-D647 IonicContact CZ-OD1 3.52Å; R644-D647 IonicContact NE-OD1 3.49Å; R644-D647 PolarHBondContact NE-OD1 3.32Å; R644-D647 VanDerWaalsContact NE-OD1 3.13Å; R644-D647 IonicContact NE-OD2 3.31Å; R644-D647 PolarHBondContact NE-OD2 3.46Å; R644-D647 IonicContact NH2-OD1 3.44Å; R644-R658 VanDerWaalsContact CG-NH2 3.35Å
645F91.3Very high89.9Confident1 Ų128.7 Ų28.70%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-119.2150.9-171.8-51.3-82.7000111.5L420 V421 I554 F584 I586 V634 I637 E638 L643 D647 R658L420-F645 WeakPolarHBondContact O-CA 3.33Å; V421-F645 HydrophobicContact CG1-CD1 4.01Å; V421-F645 HydrophobicContact CG1-CE1 3.77Å; V421-F645 HydrophobicContact CG2-CD1 4.02Å; V421-F645 HydrophobicContact CG2-CE1 4.26Å; I554-F645 HydrophobicContact CD1-CD1 4.04Å; I554-F645 HydrophobicContact CG2-CD1 4.42Å; I554-F645 HydrophobicContact CG2-CE1 4.07Å; F584-F645 HydrophobicContact CE2-CE1 4.14Å; F584-F645 AromaticContact CE2-CZ 3.95Å; F584-F645 HydrophobicContact CE2-CZ 3.95Å; F584-F645 HydrophobicContact CZ-CE1 4.31Å; F584-F645 AromaticContact CZ-CZ 4Å; F584-F645 HydrophobicContact CZ-CZ 4Å; I586-F645 HydrophobicContact CD1-CD1 4.06Å; I586-F645 HydrophobicContact CD1-CD2 3.83Å; I586-F645 HydrophobicContact CD1-CE1 4.14Å; I586-F645 HydrophobicContact CD1-CE2 3.94Å; I586-F645 HydrophobicContact CD1-CG 3.91Å; I586-F645 HydrophobicContact CD1-CZ 4.08Å; V634-F645 HydrophobicContact CG1-CB 4.02Å; V634-F645 HydrophobicContact CG1-CD2 3.84Å; V634-F645 HydrophobicContact CG1-CG 4.3Å; I637-F645 HydrophobicContact CB-CE2 4.41Å; I637-F645 HydrophobicContact CG2-CE2 3.76Å; I637-F645 HydrophobicContact CG2-CZ 4Å; E638-F645 HydrophobicContact CG-CD2 3.57Å; E638-F645 HydrophobicContact CG-CE2 3.91Å; E638-F645 PolarHBondContact OE1-N 3.26Å; L643-F645 HydrophobicContact CB-CE1 4.28Å; L643-F645 HydrophobicContact CB-CE2 4.22Å; L643-F645 HydrophobicContact CB-CZ 3.77Å; L643-F645 HydrophobicContact CD1-CE1 4.43Å; L643-F645 HydrophobicContact CD1-CZ 4.2Å; F645-D647 VanDerWaalsContact C-N 3.31Å; F645-D647 PolarHBondContact O-N 2.79Å; F645-R658 PolarHBondContact O-NH2 3.37Å
646F89.4Confident89.5Confident2 Ų228.3 Ų28.31%0.00915%0.148CC..  trans67.212.8163.4-49.2-44.5000117.6L420 L552 I554 I586 T606 V634 L648 W649 A654 H657L420-F646 PolarHBondContact O-N 3.49Å; L420-F646 VanDerWaalsContact O-N 3.1Å; L552-F646 HydrophobicContact CD2-CE1 4.42Å; I554-F646 HydrophobicContact CD1-CE1 3.65Å; I554-F646 HydrophobicContact CD1-CZ 3.97Å; I586-F646 HydrophobicContact CG2-CE2 3.83Å; I586-F646 HydrophobicContact CG2-CZ 3.6Å; T606-F646 HydrophobicContact CG2-CE2 4.12Å; T606-F646 HydrophobicContact CG2-CZ 4.48Å; V634-F646 HydrophobicContact CG1-CD2 4.18Å; V634-F646 HydrophobicContact CG1-CE2 4.11Å; V634-F646 HydrophobicContact CG2-CE2 3.98Å; F646-L648 PolarHBondContact O-N 2.69Å; F646-L648 VanDerWaalsContact O-N 3.16Å; F646-W649 HydrophobicContact CB-CD2 3.82Å; F646-W649 HydrophobicContact CB-CE3 3.49Å; F646-W649 VanDerWaalsContact CB-CE3 3.49Å; F646-W649 HydrophobicContact CB-CG 4.44Å; F646-W649 HydrophobicContact CB-CH2 4.32Å; F646-W649 HydrophobicContact CB-CZ3 3.75Å; F646-W649 HydrophobicContact CD1-CD2 4.1Å; F646-W649 AromaticContact CD1-CE2 3.81Å; F646-W649 AromaticContact CD1-CE3 3.93Å; F646-W649 HydrophobicContact CD1-CE3 3.93Å; F646-W649 AromaticContact CD1-CH2 3.13Å; F646-W649 HydrophobicContact CD1-CH2 3.13Å; F646-W649 AromaticContact CD1-CZ2 3.35Å; F646-W649 HydrophobicContact CD1-CZ2 3.35Å; F646-W649 AromaticContact CD1-CZ3 3.45Å; F646-W649 HydrophobicContact CD1-CZ3 3.45Å; F646-W649 VanDerWaalsContact CD1-CZ3 3.45Å; F646-W649 HydrophobicContact CD2-CE3 4.27Å; F646-W649 HydrophobicContact CD2-CH2 4.05Å; F646-W649 AromaticContact CD2-CZ3 3.66Å; F646-W649 HydrophobicContact CD2-CZ3 3.66Å; F646-W649 AromaticContact CE1-CH2 3.22Å; F646-W649 HydrophobicContact CE1-CH2 3.22Å; F646-W649 AromaticContact CE1-CZ2 3.61Å; F646-W649 HydrophobicContact CE1-CZ2 3.61Å; F646-W649 AromaticContact CE1-CZ3 3.87Å; F646-W649 HydrophobicContact CE1-CZ3 3.87Å; F646-W649 HydrophobicContact CE2-CH2 4.11Å; F646-W649 HydrophobicContact CE2-CZ3 4.06Å; F646-W649 HydrophobicContact CG-CD2 4.15Å; F646-W649 AromaticContact CG-CE3 3.65Å; F646-W649 HydrophobicContact CG-CE3 3.65Å; F646-W649 AromaticContact CG-CH2 3.58Å; F646-W649 HydrophobicContact CG-CH2 3.58Å; F646-W649 HydrophobicContact CG-CZ2 4.1Å; F646-W649 AromaticContact CG-CZ3 3.32Å; F646-W649 HydrophobicContact CG-CZ3 3.32Å; F646-W649 AromaticContact CZ-CH2 3.72Å; F646-W649 HydrophobicContact CZ-CH2 3.72Å; F646-W649 HydrophobicContact CZ-CZ3 4.15Å; F646-W649 WeakPolarHBondContact O-CB 3.43Å; F646-W649 PolarHBondContact O-N 3.14Å; F646-A654 HydrophobicContact CB-CB 4.49Å; F646-H657 HydrophobicContact CD2-CB 4.39Å
647D85.9Confident89.3Confident31 Ų3128.5 Ų28.517%0.16615%0.149CC..G310 helixtrans-60.1-27.4177-69.7-53.5000113.2H384 R644 F645 W649 G650 R658H384-D647 IonicContact CE1-OD2 3.23Å; H384-D647 IonicContact NE2-OD2 2.9Å; R644-D647 WeakPolarHBondContact CD-OD2 3.17Å; R644-D647 VanDerWaalsContact CG-OD2 3.3Å; R644-D647 WeakPolarHBondContact CG-OD2 3.18Å; R644-D647 IonicContact CZ-OD1 3.52Å; R644-D647 IonicContact NE-OD1 3.49Å; R644-D647 PolarHBondContact NE-OD1 3.32Å; R644-D647 VanDerWaalsContact NE-OD1 3.13Å; R644-D647 IonicContact NE-OD2 3.31Å; R644-D647 PolarHBondContact NE-OD2 3.46Å; R644-D647 IonicContact NH2-OD1 3.44Å; F645-D647 VanDerWaalsContact C-N 3.31Å; F645-D647 PolarHBondContact O-N 2.79Å; D647-W649 PolarHBondContact O-N 3.47Å; D647-G650 PolarHBondContact O-N 2.69Å; D647-R658 VanDerWaalsContact CG-NH2 3.28Å; D647-R658 IonicContact OD1-CZ 3.34Å; D647-R658 IonicContact OD1-NH1 3.72Å; D647-R658 PolarHBondContact OD1-NH1 3.43Å; D647-R658 IonicContact OD1-NH2 3.24Å; D647-R658 PolarHBondContact OD1-NH2 3.48Å; D647-R658 IonicContact OD2-NH2 3.45Å; D647-R658 PolarHBondContact OD2-NH2 3.06Å
648L83.2Confident89Confident58 Ų5828.8 Ų28.830%0.30415%0.15SC..G310 helixtrans-60.6-25.2173.7178.6148.5000113.4T419 T599 F646 G650T419-L648 HydrophobicContact CG2-CD1 4.17Å; T419-L648 WeakPolarHBondContact O-CB 3.33Å; T419-L648 WeakPolarHBondContact OG1-CD1 3.31Å; T599-L648 HydrophobicContact CG2-CD2 3.24Å; F646-L648 PolarHBondContact O-N 2.69Å; F646-L648 VanDerWaalsContact O-N 3.16Å; L648-G650 PolarHBondContact O-N 2.72Å
649W87.4Confident88.8Confident31 Ų3129.4 Ų29.412%0.11715%0.154CC..G310 helixtrans-76-4.9175.8-56.7-18.3000112.9L552 A588 W594 N598 I604 T606 F646 D647 E653 H657L552-W649 HydrophobicContact CD2-CZ2 3.9Å; A588-W649 HydrophobicContact CB-CH2 3.81Å; A588-W649 HydrophobicContact CB-CZ2 4.49Å; W594-W649 HydrophobicContact CH2-CH2 4.34Å; W594-W649 AromaticContact CH2-CZ2 3.91Å; W594-W649 HydrophobicContact CH2-CZ2 3.91Å; W594-W649 AromaticContact CZ3-CZ2 3.91Å; W594-W649 HydrophobicContact CZ3-CZ2 3.91Å; N598-W649 PolarHBondContact O-NE1 3.26Å; I604-W649 HydrophobicContact CD1-CD2 3.61Å; I604-W649 HydrophobicContact CD1-CE3 3.66Å; I604-W649 HydrophobicContact CD1-CG 4.05Å; I604-W649 HydrophobicContact CD1-CH2 4.38Å; I604-W649 HydrophobicContact CD1-CZ2 4.32Å; I604-W649 HydrophobicContact CD1-CZ3 4.07Å; I604-W649 HydrophobicContact CG2-CE3 4.34Å; I604-W649 HydrophobicContact CG2-CH2 3.9Å; I604-W649 HydrophobicContact CG2-CZ3 3.74Å; T606-W649 HydrophobicContact CG2-CH2 4.43Å; T606-W649 HydrophobicContact CG2-CZ3 4.18Å; F646-W649 HydrophobicContact CB-CD2 3.82Å; F646-W649 HydrophobicContact CB-CE3 3.49Å; F646-W649 VanDerWaalsContact CB-CE3 3.49Å; F646-W649 HydrophobicContact CB-CG 4.44Å; F646-W649 HydrophobicContact CB-CH2 4.32Å; F646-W649 HydrophobicContact CB-CZ3 3.75Å; F646-W649 HydrophobicContact CD1-CD2 4.1Å; F646-W649 AromaticContact CD1-CE2 3.81Å; F646-W649 AromaticContact CD1-CE3 3.93Å; F646-W649 HydrophobicContact CD1-CE3 3.93Å; F646-W649 AromaticContact CD1-CH2 3.13Å; F646-W649 HydrophobicContact CD1-CH2 3.13Å; F646-W649 AromaticContact CD1-CZ2 3.35Å; F646-W649 HydrophobicContact CD1-CZ2 3.35Å; F646-W649 AromaticContact CD1-CZ3 3.45Å; F646-W649 HydrophobicContact CD1-CZ3 3.45Å; F646-W649 VanDerWaalsContact CD1-CZ3 3.45Å; F646-W649 HydrophobicContact CD2-CE3 4.27Å; F646-W649 HydrophobicContact CD2-CH2 4.05Å; F646-W649 AromaticContact CD2-CZ3 3.66Å; F646-W649 HydrophobicContact CD2-CZ3 3.66Å; F646-W649 AromaticContact CE1-CH2 3.22Å; F646-W649 HydrophobicContact CE1-CH2 3.22Å; F646-W649 AromaticContact CE1-CZ2 3.61Å; F646-W649 HydrophobicContact CE1-CZ2 3.61Å; F646-W649 AromaticContact CE1-CZ3 3.87Å; F646-W649 HydrophobicContact CE1-CZ3 3.87Å; F646-W649 HydrophobicContact CE2-CH2 4.11Å; F646-W649 HydrophobicContact CE2-CZ3 4.06Å; F646-W649 HydrophobicContact CG-CD2 4.15Å; F646-W649 AromaticContact CG-CE3 3.65Å; F646-W649 HydrophobicContact CG-CE3 3.65Å; F646-W649 AromaticContact CG-CH2 3.58Å; F646-W649 HydrophobicContact CG-CH2 3.58Å; F646-W649 HydrophobicContact CG-CZ2 4.1Å; F646-W649 AromaticContact CG-CZ3 3.32Å; F646-W649 HydrophobicContact CG-CZ3 3.32Å; F646-W649 AromaticContact CZ-CH2 3.72Å; F646-W649 HydrophobicContact CZ-CH2 3.72Å; F646-W649 HydrophobicContact CZ-CZ3 4.15Å; F646-W649 WeakPolarHBondContact O-CB 3.43Å; F646-W649 PolarHBondContact O-N 3.14Å; D647-W649 PolarHBondContact O-N 3.47Å; W649-E653 HydrophobicContact CB-CB 4.11Å; W649-E653 HydrophobicContact CB-CG 4.02Å; W649-E653 WeakPolarHBondContact O-CB 3.45Å; W649-H657 AromaticContact CE3-CD2 3.74Å; W649-H657 AromaticContact CZ3-CD2 3.68Å
650G84.1Confident88.7Confident31 Ų3130.4 Ų30.432%0.3216%0.157SC..  trans96.9153.2-177.600000112.5D647 L648 Q652 E653 A654D647-G650 PolarHBondContact O-N 2.69Å; L648-G650 PolarHBondContact O-N 2.72Å; G650-Q652 VanDerWaalsContact C-N 3.33Å; G650-Q652 PolarHBondContact O-N 3.17Å; G650-E653 PolarHBondContact O-N 2.64Å; G650-A654 WeakPolarHBondContact O-CB 3.47Å; G650-A654 PolarHBondContact O-N 2.79Å
651V82.4Confident88.5Confident69 Ų6931 Ų3142%0.41816%0.16SC..Hα-helixtrans-56.6-44-171.2178.20000112.6L379 L655L379-V651 HydrophobicContact CD1-CG1 4.12Å; V651-L655 HydrophobicContact CG1-CD1 4.11Å; V651-L655 WeakPolarHBondContact O-CB 3.45Å; V651-L655 VanDerWaalsContact O-CG 3.24Å; V651-L655 WeakPolarHBondContact O-CG 3.33Å; V651-L655 PolarHBondContact O-N 3.43Å; V651-L655 VanDerWaalsContact O-N 3.07Å
652Q81.4Confident88.5Confident160 Ų16031.3 Ų31.375%0.74816%0.162SC*.Hα-helixtrans-69.6-44.6-177.5-69.5-177.2-6.900112.2G650 L655 I656G650-Q652 VanDerWaalsContact C-N 3.33Å; G650-Q652 PolarHBondContact O-N 3.17Å; Q652-L655 PolarHBondContact O-N 2.9Å; Q652-I656 PolarHBondContact O-N 3.17Å; Q652-I656 VanDerWaalsContact O-N 3.1Å
653E86.2Confident88.6Confident56 Ų5634.3 Ų34.326%0.26218%0.175SC..Hα-helixtrans-66-43.4178.9-166.464.6-169.900111I604 W649 G650 L655 I656 H657I604-E653 HydrophobicContact CD1-CG 4.41Å; W649-E653 HydrophobicContact CB-CB 4.11Å; W649-E653 HydrophobicContact CB-CG 4.02Å; W649-E653 WeakPolarHBondContact O-CB 3.45Å; G650-E653 PolarHBondContact O-N 2.64Å; E653-L655 VanDerWaalsContact C-N 3.29Å; E653-L655 PolarHBondContact O-N 3.17Å; E653-I656 WeakPolarHBondContact O-CB 3.31Å; E653-I656 PolarHBondContact O-N 3.39Å; E653-H657 PolarHBondContact O-CD2 3.25Å; E653-H657 PolarHBondContact O-N 3.49Å; E653-H657 IonicContact OE1-CD2 3.39Å; E653-H657 IonicContact OE1-NE2 3.98Å; E653-H657 PolarHBondContact OE1-NE2 2.93Å; E653-H657 VanDerWaalsContact OE1-NE2 3.16Å
654A87.6Confident88.7Confident0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-59.8-39.8175.400000111.9F646 G650 H657 R658F646-A654 HydrophobicContact CB-CB 4.49Å; G650-A654 WeakPolarHBondContact O-CB 3.47Å; G650-A654 PolarHBondContact O-N 2.79Å; A654-H657 PolarHBondContact O-N 3.04Å; A654-R658 WeakPolarHBondContact O-CB 3.46Å; A654-R658 VanDerWaalsContact O-CG 3.25Å; A654-R658 WeakPolarHBondContact O-CG 3.15Å; A654-R658 PolarHBondContact O-N 3.49Å
655L87.5Confident89Confident19 Ų1937.3 Ų37.310%0.09919%0.194CC..Hα-helixtrans-64.3-40.1176.4-78.7171.4000112.9T365 L379 V651 Q652 E653 H657 R658 L659T365-L655 HydrophobicContact CG2-CD2 3.6Å; L379-L655 HydrophobicContact CD1-CD1 4.14Å; V651-L655 HydrophobicContact CG1-CD1 4.11Å; V651-L655 WeakPolarHBondContact O-CB 3.45Å; V651-L655 VanDerWaalsContact O-CG 3.24Å; V651-L655 WeakPolarHBondContact O-CG 3.33Å; V651-L655 PolarHBondContact O-N 3.43Å; V651-L655 VanDerWaalsContact O-N 3.07Å; Q652-L655 PolarHBondContact O-N 2.9Å; E653-L655 VanDerWaalsContact C-N 3.29Å; E653-L655 PolarHBondContact O-N 3.17Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 3.02Å; L655-R658 PolarHBondContact O-N 3.34Å; L655-L659 PolarHBondContact O-N 3Å
656I87.1Confident89.2Confident55 Ų5538 Ų3828%0.28220%0.197SC..Hα-helixtrans-55-50.6174.6-78.2161.8000110.1L339 Q652 E653 L659 H660L339-I656 HydrophobicContact CD1-CB 4.04Å; L339-I656 HydrophobicContact CD1-CG1 3.91Å; L339-I656 HydrophobicContact CD1-CG2 3.56Å; Q652-I656 PolarHBondContact O-N 3.17Å; Q652-I656 VanDerWaalsContact O-N 3.1Å; E653-I656 WeakPolarHBondContact O-CB 3.31Å; E653-I656 PolarHBondContact O-N 3.39Å; I656-L659 PolarHBondContact O-N 2.92Å; I656-H660 WeakPolarHBondContact O-CB 3.43Å; I656-H660 PolarHBondContact O-N 3.32Å; I656-H660 VanDerWaalsContact O-N 3.08Å
657H90.7Very high89.4Confident5 Ų541.8 Ų41.82%0.02322%0.221CC..Hα-helixtrans-74.5-32.2-177.5-65.8-58.6000113.9I604 T606 F646 W649 E653 A654 L655 L659I604-H657 PolarHBondContact O-CE1 2.9Å; T606-H657 HydrophobicContact CG2-CB 4Å; T606-H657 VanDerWaalsContact CG2-ND1 3.31Å; T606-H657 WeakPolarHBondContact CG2-ND1 3.47Å; T606-H657 PolarHBondContact OG1-ND1 3.44Å; F646-H657 HydrophobicContact CD2-CB 4.39Å; W649-H657 AromaticContact CE3-CD2 3.74Å; W649-H657 AromaticContact CZ3-CD2 3.68Å; E653-H657 PolarHBondContact O-CD2 3.25Å; E653-H657 PolarHBondContact O-N 3.49Å; E653-H657 IonicContact OE1-CD2 3.39Å; E653-H657 IonicContact OE1-NE2 3.98Å; E653-H657 PolarHBondContact OE1-NE2 2.93Å; E653-H657 VanDerWaalsContact OE1-NE2 3.16Å; A654-H657 PolarHBondContact O-N 3.04Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 3.02Å; H657-L659 PolarHBondContact O-N 2.05Å
658R91Very high89.5Confident6 Ų642 Ų422%0.02322%0.222CC..Hα-helixtrans-56.3-34.5173.5-85.2177.1-173.3120.315.4112.8R633 V634 R635 E638 R644 F645 D647 A654 L655R633-R658 VanDerWaalsContact CB-O 3.32Å; R633-R658 WeakPolarHBondContact CB-O 3.33Å; V634-R658 HydrophobicContact CG1-CG 4.45Å; R635-R658 HydrophobicContact CB-CB 4.22Å; R635-R658 WeakPolarHBondContact CB-O 3.15Å; R635-R658 PolarHBondContact N-O 3.46Å; E638-R658 IonicContact OE1-CZ 2.82Å; E638-R658 IonicContact OE1-NE 2.66Å; E638-R658 PolarHBondContact OE1-NE 3.22Å; E638-R658 IonicContact OE1-NH2 3.48Å; E638-R658 PolarHBondContact OE1-NH2 3.46Å; E638-R658 IonicContact OE2-NE 2.71Å; E638-R658 PolarHBondContact OE2-NE 2.99Å; R644-R658 VanDerWaalsContact CG-NH2 3.35Å; F645-R658 PolarHBondContact O-NH2 3.37Å; D647-R658 VanDerWaalsContact CG-NH2 3.28Å; D647-R658 IonicContact OD1-CZ 3.34Å; D647-R658 IonicContact OD1-NH1 3.72Å; D647-R658 PolarHBondContact OD1-NH1 3.43Å; D647-R658 IonicContact OD1-NH2 3.24Å; D647-R658 PolarHBondContact OD1-NH2 3.48Å; D647-R658 IonicContact OD2-NH2 3.45Å; D647-R658 PolarHBondContact OD2-NH2 3.06Å; A654-R658 WeakPolarHBondContact O-CB 3.46Å; A654-R658 VanDerWaalsContact O-CG 3.25Å; A654-R658 WeakPolarHBondContact O-CG 3.15Å; A654-R658 PolarHBondContact O-N 3.49Å; L655-R658 PolarHBondContact O-N 3.34Å
659L90.2Very high89.2Confident16 Ų1641.9 Ų41.98%0.08423%0.226CC..Hα-helixtrans-112.8-3.4-170.6-55.1179.1000113.5T365 I368 R635 L655 I656 H657 I661T365-L659 HydrophobicContact CG2-CD1 3.98Å; T365-L659 HydrophobicContact CG2-CD2 4.33Å; T365-L659 VanDerWaalsContact OG1-CD2 3.24Å; T365-L659 WeakPolarHBondContact OG1-CD2 3.22Å; I368-L659 HydrophobicContact CB-CD1 3.59Å; I368-L659 HydrophobicContact CD1-CD1 3.46Å; I368-L659 VanDerWaalsContact CD1-CD1 3.46Å; I368-L659 HydrophobicContact CG1-CD1 3.29Å; I368-L659 HydrophobicContact CG2-CD1 4.19Å; R635-L659 HydrophobicContact CB-CD2 4.22Å; R635-L659 HydrophobicContact CG-CD2 4.48Å; L655-L659 PolarHBondContact O-N 3Å; I656-L659 PolarHBondContact O-N 2.92Å; H657-L659 PolarHBondContact O-N 2.05Å; L659-I661 PolarHBondContact O-N 3.34Å
660H92.5Very high87.5Confident57 Ų5743.5 Ų43.526%0.26424%0.242SC..  trans-61.3124.7176-171.160.7000111.2I656I656-H660 WeakPolarHBondContact O-CB 3.43Å; I656-H660 PolarHBondContact O-N 3.32Å; I656-H660 VanDerWaalsContact O-N 3.08Å
661I92.6Very high85.8Confident15 Ų1547.1 Ų47.18%0.07727%0.269CS..  trans-101.9112.9175.4-59.5-171.3000108.1Y31 Y315 K316 Q342 R633 L659 E663Y31-I661 HydrophobicContact CD2-CD1 3.58Å; Y31-I661 HydrophobicContact CD2-CG1 4.45Å; Y31-I661 HydrophobicContact CE2-CB 3.99Å; Y31-I661 HydrophobicContact CE2-CD1 3.73Å; Y31-I661 HydrophobicContact CE2-CG1 4.17Å; Y31-I661 HydrophobicContact CE2-CG2 4.45Å; Y31-I661 HydrophobicContact CG-CD1 4.14Å; Y315-I661 HydrophobicContact CE2-CD1 3.88Å; Y315-I661 HydrophobicContact CE2-CG2 4.25Å; K316-I661 HydrophobicContact CD-CG2 4.33Å; K316-I661 HydrophobicContact CG-CG2 4.09Å; Q342-I661 HydrophobicContact CG-CD1 3.94Å; R633-I661 HydrophobicContact CG-CG1 3.9Å; L659-I661 PolarHBondContact O-N 3.34Å; I661-E663 PolarHBondContact O-N 3.28Å
662N93.5Very high83.6Confident7 Ų750.8 Ų50.84%0.03729%0.286CS..  trans-73110.3175.9-66.6-82000109.8K316 T606 T631K316-N662 VanDerWaalsContact CE-O 3.24Å; K316-N662 WeakPolarHBondContact CE-O 3.49Å; K316-N662 PolarHBondContact NZ-O 3.26Å; T606-N662 PolarHBondContact O-OD1 3.21Å; T606-N662 VanDerWaalsContact O-OD1 3.06Å; T631-N662 HydrophobicContact CG2-CB 4.1Å
663E93Very high81.6Confident66 Ų6646.8 Ų46.831%0.30827%0.273SS..SBendtrans-85-20.9175.3-67.2-175.216000113.5Y29 Y31 R321 I661Y29-E663 PolarHBondContact OH-OE1 2.65Å; Y31-E663 VanDerWaalsContact OH-CD 3.24Å; Y31-E663 WeakPolarHBondContact OH-CG 3.39Å; Y31-E663 PolarHBondContact OH-OE1 2.95Å; R321-E663 IonicContact CZ-OE1 2.63Å; R321-E663 IonicContact CZ-OE2 3.45Å; R321-E663 IonicContact NE-OE1 4Å; R321-E663 IonicContact NH2-OE1 3.16Å; R321-E663 PolarHBondContact NH2-OE1 3.33Å; R321-E663 IonicContact NH2-OE2 2.65Å; R321-E663 PolarHBondContact NH2-OE2 3.3Å; I661-E663 PolarHBondContact O-N 3.28Å
664D95.2Very high79.7Confident91 Ų9151 Ų5149%0.48730%0.303SS..SBendtrans-146168.2175.1-150.5-8.9000110.1Y624Y624-D664 PolarHBondContact OH-OD1 3.33Å
665L96.2Very high77.4Confident7 Ų758.7 Ų58.74%0.03734%0.339CS..PPolyproline II helixtrans-78.8163.8169.8-52.2-167.7000110.5L540 Y544 M607 F609 Y624 L627 L628 T631L540-L665 HydrophobicContact CD2-CD1 3.82Å; Y544-L665 WeakPolarHBondContact OH-CB 3.31Å; M607-L665 HydrophobicContact CE-CB 4.44Å; M607-L665 HydrophobicContact CE-CD2 4.46Å; M607-L665 HydrophobicContact SD-CB 4.15Å; M607-L665 HydrophobicContact SD-CD2 3.83Å; F609-L665 HydrophobicContact CE1-CD2 3.76Å; F609-L665 HydrophobicContact CZ-CD2 3.99Å; Y624-L665 HydrophobicContact CD2-CD1 3.62Å; Y624-L665 HydrophobicContact CD2-CG 4.33Å; Y624-L665 HydrophobicContact CE1-CG 4.44Å; Y624-L665 HydrophobicContact CE2-CB 3.72Å; Y624-L665 HydrophobicContact CE2-CD1 3.51Å; Y624-L665 HydrophobicContact CE2-CG 3.76Å; Y624-L665 HydrophobicContact CG-CD1 4.22Å; L627-L665 HydrophobicContact CB-CD1 4.3Å; L628-L665 HydrophobicContact CB-CD2 4.37Å; L628-L665 HydrophobicContact CB-CG 4.45Å; L628-L665 HydrophobicContact CD1-CD2 4.05Å; L628-L665 HydrophobicContact CD1-CG 4.43Å; T631-L665 HydrophobicContact CG2-CD2 3.97Å
666W95.4Very high75.2Confident17 Ų1760.4 Ų60.46%0.06435%0.348CS..PPolyproline II helixtrans-66.3142.3179.2-66.4-32000109.1Y544 Y548 V551 A587 R589 S605 M607 L668Y544-W666 HydrophobicContact CD1-CB 4.12Å; Y544-W666 HydrophobicContact CD1-CE3 4.13Å; Y544-W666 HydrophobicContact CD2-CD2 4.47Å; Y544-W666 AromaticContact CD2-CE3 3.41Å; Y544-W666 HydrophobicContact CD2-CE3 3.41Å; Y544-W666 VanDerWaalsContact CD2-CE3 3.41Å; Y544-W666 AromaticContact CD2-CZ3 3.82Å; Y544-W666 HydrophobicContact CD2-CZ3 3.82Å; Y544-W666 HydrophobicContact CE1-CB 3.59Å; Y544-W666 HydrophobicContact CE1-CE3 4.41Å; Y544-W666 VanDerWaalsContact CE1-O 3.27Å; Y544-W666 WeakPolarHBondContact CE1-O 3.43Å; Y544-W666 HydrophobicContact CE2-CB 4.36Å; Y544-W666 HydrophobicContact CE2-CD2 4.4Å; Y544-W666 AromaticContact CE2-CE3 3.72Å; Y544-W666 HydrophobicContact CE2-CE3 3.72Å; Y544-W666 HydrophobicContact CE2-CZ3 4.38Å; Y544-W666 AromaticContact CG-CE3 3.63Å; Y544-W666 HydrophobicContact CG-CE3 3.63Å; Y544-W666 HydrophobicContact CG-CZ3 4.21Å; Y544-W666 PolarHBondContact OH-N 3.42Å; Y544-W666 VanDerWaalsContact OH-N 3.13Å; Y544-W666 PolarHBondContact OH-O 3.38Å; Y548-W666 HydrophobicContact CE2-CB 4.26Å; V551-W666 HydrophobicContact CG1-CZ3 4.34Å; A587-W666 HydrophobicContact CB-CH2 3.93Å; A587-W666 HydrophobicContact CB-CZ3 4.11Å; R589-W666 HydrophobicContact CB-CH2 4.02Å; R589-W666 HydrophobicContact CB-CZ2 4.48Å; R589-W666 HydrophobicContact CB-CZ3 4.24Å; R589-W666 HydrophobicContact CG-CH2 3.91Å; R589-W666 HydrophobicContact CG-CZ2 3.88Å; R589-W666 HydrophobicContact CG-CZ3 4.31Å; S605-W666 VanDerWaalsContact O-CZ2 3.27Å; S605-W666 WeakPolarHBondContact O-CZ2 3.47Å; S605-W666 PolarHBondContact OG-NE1 3.16Å; M607-W666 HydrophobicContact CB-CD2 4.45Å; M607-W666 HydrophobicContact CB-CH2 4.1Å; M607-W666 HydrophobicContact CB-CZ2 3.71Å; M607-W666 HydrophobicContact CE-CB 4.37Å; M607-W666 VanDerWaalsContact CE-CD1 3.48Å; M607-W666 HydrophobicContact CE-CD2 4.08Å; M607-W666 HydrophobicContact CE-CG 3.74Å; M607-W666 VanDerWaalsContact CE-N 3.29Å; M607-W666 HydrophobicContact SD-CD2 4.45Å; M607-W666 HydrophobicContact SD-CG 4.45Å; W666-L668 PolarHBondContact O-N 2.88Å
667P93.8Very high73Confident81 Ų8164.7 Ų64.753%0.52637%0.367SS..PPolyproline II helixtrans-57.7141.5-178.5-25.534.1000112.5Y548Y548-P667 PolarHBondContact OH-O 3.44Å
668L88.4Confident70.6Confident34 Ų3470.9 Ų70.918%0.17840%0.395CS..SBendtrans-97.9-7179.1-64.4173.8000114L540 R543 Y544 L547 W666 L680L540-L668 HydrophobicContact CD1-CD1 3.89Å; L540-L668 HydrophobicContact CD1-CD2 3.62Å; L540-L668 HydrophobicContact CD1-CG 4.29Å; R543-L668 HydrophobicContact CB-CD2 4.46Å; R543-L668 HydrophobicContact CG-CD2 3.77Å; Y544-L668 HydrophobicContact CD1-CD2 3.94Å; Y544-L668 HydrophobicContact CE1-CD2 3.44Å; Y544-L668 VanDerWaalsContact CE1-CD2 3.44Å; Y544-L668 HydrophobicContact CE1-CG 4.39Å; L547-L668 HydrophobicContact CD1-CD2 4.36Å; L547-L668 WeakPolarHBondContact CD1-O 3.4Å; W666-L668 PolarHBondContact O-N 2.88Å; L668-L680 HydrophobicContact CB-CD1 4.48Å; L668-L680 HydrophobicContact CD1-CD1 3.39Å
669S76.5Confident68.2Low56 Ų5676.5 Ų76.539%0.39242%0.422SS..SBendtrans-103.8141.4165.655.20000108.6
670S52.8Low66.2Low65 Ų6579.7 Ų79.746%0.45544%0.439SS..  trans-61.7153.2152.268.40000106.6N672 T673S670-N672 CarbonylContact O-C 3.51Å; S670-N672 PolarHBondContact O-N 3.15Å; S670-T673 PolarHBondContact O-N 3.28Å; S670-T673 PolarHBondContact OG-OG1 3.39Å
671A48.7Very low64.1Low108 Ų10883 Ų8389%0.89346%0.455SS*.SBendtrans-52.2-7.5179.700000114.6
672N36.1Very low61.7Low145 Ų14585.9 Ų85.978%0.77547%0.473SS*.SBendtrans-122.472.2169.1-71.4-30.3000112.9S670S670-N672 CarbonylContact O-C 3.51Å; S670-N672 PolarHBondContact O-N 3.15Å
673T39.7Very low59.1Low77 Ų7790.5 Ų90.547%0.47250%0.497SS..  trans-166.6111.7151.9-3.60000113S670S670-T673 PolarHBondContact O-N 3.28Å; S670-T673 PolarHBondContact OG-OG1 3.39Å
674T45Very low56.4Low145 Ų14589.9 Ų89.989%0.8951%0.509SS*.  trans-899178.513.70000114.7
675Q39.7Very low53.6Low160 Ų16088.9 Ų88.975%0.74851%0.513SS*.SBendtrans-101.8-3.9-170.6-148.9169.95.800115.3
676L40.6Very low50.7Low56 Ų5699.4 Ų99.429%0.29355%0.553SS.*SBendtrans-113.1-10.6-166.9-123.2133.9000115.5Q678 E679L676-Q678 PolarHBondContact O-N 3.08Å; L676-E679 WeakPolarHBondContact CD2-OE2 3.49Å; L676-E679 PolarHBondContact O-N 2.92Å; L676-E679 VanDerWaalsContact O-N 3.17Å
677Q42.2Very low47.7Very low145 Ų145106.3 Ų106.368%0.67859%0.59SS**Hα-helixtrans-60.7-29171.4-150.4163.8-6.800110.9E679 E681Q677-E679 PolarHBondContact O-N 3.35Å; Q677-E681 WeakPolarHBondContact O-CG 3.43Å; Q677-E681 PolarHBondContact O-N 3.12Å
678Q40.2Very low44.7Very low134 Ų134113 Ų11363%0.62662%0.62SS**Hα-helixtrans-64.9-35.1175.2-75.3-179.4-19.700113.8L676 E681 T682L676-Q678 PolarHBondContact O-N 3.08Å; Q678-E681 PolarHBondContact O-N 2.84Å; Q678-T682 WeakPolarHBondContact O-CB 3.44Å; Q678-T682 VanDerWaalsContact O-CG2 3.24Å; Q678-T682 WeakPolarHBondContact O-CG2 3.36Å; Q678-T682 PolarHBondContact O-N 2.86Å; Q678-T682 PolarHBondContact O-OG1 3.12Å
679E41.2Very low42.5Very low124 Ų124116.9 Ų116.958%0.57964%0.642SS**Hα-helixtrans-70.2-38-175.9-74.1-175.8163.800112.1L676 Q677 T682 D683L676-E679 WeakPolarHBondContact CD2-OE2 3.49Å; L676-E679 PolarHBondContact O-N 2.92Å; L676-E679 VanDerWaalsContact O-N 3.17Å; Q677-E679 PolarHBondContact O-N 3.35Å; E679-T682 WeakPolarHBondContact CA-OG1 3.43Å; E679-T682 PolarHBondContact O-N 3.16Å; E679-T682 PolarHBondContact O-OG1 3.37Å; E679-D683 PolarHBondContact O-N 3.17Å
680L46.7Very low40.7Very low84 Ų84120.1 Ų120.144%0.4466%0.655SS.*Hα-helixtrans-74.2-29.5176.7-72.2161.9000112.9L668L668-L680 HydrophobicContact CB-CD1 4.48Å; L668-L680 HydrophobicContact CD1-CD1 3.39Å
681E47.8Very low40.1Very low127 Ų127123.2 Ų123.259%0.59367%0.666SS**Hα-helixtrans-74.3-34.5172.4-71.7174.5-176.900111.7Q677 Q678 G684Q677-E681 WeakPolarHBondContact O-CG 3.43Å; Q677-E681 PolarHBondContact O-N 3.12Å; Q678-E681 PolarHBondContact O-N 2.84Å; E681-G684 PolarHBondContact O-N 3.48Å
682T42.6Very low39.6Very low75 Ų75124.1 Ų124.146%0.4665%0.653SS.*Hα-helixtrans-74.8-23.9-176.9490000115.4Q678 E679 G684 A685 R686Q678-T682 WeakPolarHBondContact O-CB 3.44Å; Q678-T682 VanDerWaalsContact O-CG2 3.24Å; Q678-T682 WeakPolarHBondContact O-CG2 3.36Å; Q678-T682 PolarHBondContact O-N 2.86Å; Q678-T682 PolarHBondContact O-OG1 3.12Å; E679-T682 WeakPolarHBondContact CA-OG1 3.43Å; E679-T682 PolarHBondContact O-N 3.16Å; E679-T682 PolarHBondContact O-OG1 3.37Å; T682-G684 PolarHBondContact O-N 3Å; T682-A685 PolarHBondContact O-N 3.31Å; T682-R686 PolarHBondContact O-N 2.99Å
683D39.3Very low39.8Very low103 Ų103122.8 Ų122.855%0.55165%0.645SS**THydrogen-bonded Turntrans-67.4-17.6172.6-95.5-2.4000112.4E679E679-D683 PolarHBondContact O-N 3.17Å
684G36.2Very low39.8Very low53 Ų53125.8 Ų125.855%0.54666%0.657SS.*THydrogen-bonded Turntrans-79.3-22.7168.900000114E681 T682E681-G684 PolarHBondContact O-N 3.48Å; T682-G684 PolarHBondContact O-N 3Å
685A37.4Very low39.4Very low71 Ų71124.4 Ų124.459%0.58764%0.64SS**THydrogen-bonded Turntrans-96.4-9.8-17200000114.5T682T682-A685 PolarHBondContact O-N 3.31Å
686R35Very low39.4Very low228 Ų228121.7 Ų121.786%0.8663%0.632SS**SBendtrans-93.34.6177.7-85.7-172.1174.1-176.70.7115.2T682T682-R686 PolarHBondContact O-N 2.99Å
687L32.6Very low39.3Very low162 Ų162127.2 Ų127.285%0.84866%0.66SS**  trans-116.711.8179.9-98.2154.1000114.7
688L30.6Very low39Very low220 Ų220125.5 Ų125.5100%1.15266%0.658SS**  trans-102.40157.5-76.9165.4000108.7

Retrieved 688 of 688 residues in 1720.4 ms (Link to these results)

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