A0A3Q0KSC5_SCHMA Loading...

DNA-(apurinic or apyrimidinic site) endonuclease

AlphaFold DB , UniProt , Accession A0A3Q0KSC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 518 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
1M75.8Confident93.6Very high158 Ų15829.7 Ų29.778%0.77814%0.137SC*.  0127.50-76.8-175.7-177.900108.1T139 F326 Y327M1-T139 HydrophobicContact CE-CG2 3.9Å; M1-T139 PolarHBondContact SD-OG1 2.83Å; M1-F326 HydrophobicContact CB-CB 4.05Å; M1-F326 HydrophobicContact CB-CD1 4.37Å; M1-F326 HydrophobicContact CB-CG 4.43Å; M1-F326 HydrophobicContact SD-CB 4.46Å; M1-Y327 WeakPolarHBondContact CA-O 3.43Å
2N85.7Confident93.7Very high60 Ų6032.3 Ų32.332%0.32115%0.153SC..EExtended strand (participates in β ladder)trans-99.7139179.5-55.7-37.8000109.3F326 Y327 S329N2-F326 CarbonylContact O-C 3.52Å; N2-F326 WeakPolarHBondContact O-CA 3.36Å; N2-F326 WeakPolarHBondContact O-CB 3.49Å; N2-Y327 HydrophobicContact CB-CD1 4.15Å; N2-Y327 HydrophobicContact CB-CD2 4.49Å; N2-Y327 HydrophobicContact CB-CE1 3.7Å; N2-Y327 HydrophobicContact CB-CE2 4Å; N2-Y327 PolarHBondContact N-O 3.42Å; N2-Y327 WeakPolarHBondContact ND2-CE2 3.42Å; N2-Y327 WeakPolarHBondContact O-CD1 3.33Å; N2-Y327 PolarHBondContact O-N 3.25Å; N2-S329 PolarHBondContact ND2-OG 2.81Å
3R89.2Confident93.7Very high64 Ų6430.3 Ų30.324%0.24215%0.147CC..EExtended strand (participates in β ladder)trans-70.6138.8173.9-175.2177-69.3-93.57109D322 F326R3-D322 VanDerWaalsContact CD-CG 3.4Å; R3-D322 WeakPolarHBondContact CD-OD2 3.36Å; R3-D322 HydrophobicContact CG-CB 4.35Å; R3-F326 HydrophobicContact CB-CD1 4.05Å; R3-F326 HydrophobicContact CB-CE1 3.91Å; R3-F326 HydrophobicContact CG-CE1 4.4Å
4V93.4Very high93.5Very high0 Ų028.3 Ų28.30%014%0.137CC..EExtended strand (participates in β ladder)trans-82.1123.4173.6-1740000109.1D31 I32 L78 F138 L323 Y325 Y327V4-D31 WeakPolarHBondContact CA-OD2 3.3Å; V4-D31 HydrophobicContact CG1-CB 4.5Å; V4-I32 HydrophobicContact CG1-CD1 4.15Å; V4-L78 HydrophobicContact CG1-CD1 4.05Å; V4-F138 HydrophobicContact CG2-CD1 3.87Å; V4-F138 HydrophobicContact CG2-CE1 3.66Å; V4-L323 HydrophobicContact CB-CB 4.23Å; V4-L323 HydrophobicContact CB-CD1 4.38Å; V4-L323 HydrophobicContact CG1-CB 4.5Å; V4-L323 HydrophobicContact CG1-CD1 3.75Å; V4-L323 PolarHBondContact O-N 3.11Å; V4-Y325 PolarHBondContact N-O 3.32Å; V4-Y327 HydrophobicContact CG2-CD1 3.59Å; V4-Y327 HydrophobicContact CG2-CE1 4.23Å
5R96.7Very high93.1Very high40 Ų4035.6 Ų35.615%0.15116%0.162CC..EExtended strand (participates in β ladder)trans-115.1132.9173.9-177.7170.2-73.9-171-6.7111.5T29 S30 D31 I32 Y320 D322R5-T29 WeakPolarHBondContact CD-O 3.24Å; R5-S30 WeakPolarHBondContact CD-OG 3.41Å; R5-S30 WeakPolarHBondContact CG-OG 3.36Å; R5-D31 PolarHBondContact N-OD2 2.51Å; R5-D31 PolarHBondContact O-N 2.98Å; R5-I32 PolarHBondContact O-N 2.64Å; R5-Y320 HydrophobicContact CG-CD2 4.31Å; R5-D322 IonicContact CZ-OD1 3.01Å; R5-D322 VanDerWaalsContact CZ-OD1 3.24Å; R5-D322 IonicContact NE-OD1 2.9Å; R5-D322 PolarHBondContact NE-OD1 3.3Å; R5-D322 VanDerWaalsContact NH2-CG 3.34Å; R5-D322 IonicContact NH2-OD1 2.57Å; R5-D322 PolarHBondContact NH2-OD1 3.33Å; R5-D322 IonicContact NH2-OD2 2.94Å; R5-D322 PolarHBondContact NH2-OD2 3.4Å
6I98.5Very high92.6Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-102.2140.7171.6-176.5172000110.3I32 V152 V192 A194 I285 F287 Y320 A321 L323I6-I32 CarbonylContact C-O 3.55Å; I6-I32 VanDerWaalsContact CA-O 3.29Å; I6-I32 WeakPolarHBondContact CA-O 3.35Å; I6-I32 HydrophobicContact CG1-CB 4.38Å; I6-I32 HydrophobicContact CG1-CG2 4.46Å; I6-V152 HydrophobicContact CD1-CG1 3.38Å; I6-V152 HydrophobicContact CD1-CG2 4.47Å; I6-V192 HydrophobicContact CD1-CG1 3.64Å; I6-A194 HydrophobicContact CD1-CB 3.7Å; I6-A194 HydrophobicContact CG1-CB 4.42Å; I6-I285 HydrophobicContact CG2-CD1 4.31Å; I6-I285 HydrophobicContact CG2-CG2 4Å; I6-F287 HydrophobicContact CG2-CE1 4.31Å; I6-Y320 CarbonylContact O-C 3.57Å; I6-Y320 WeakPolarHBondContact O-CA 3.28Å; I6-Y320 WeakPolarHBondContact O-CB 3.29Å; I6-A321 HydrophobicContact CG2-CB 4.25Å; I6-A321 WeakPolarHBondContact CG2-O 3.43Å; I6-A321 PolarHBondContact N-O 2.66Å; I6-A321 PolarHBondContact O-N 3.12Å; I6-L323 HydrophobicContact CG2-CG 4.29Å
7C98.7Very high92.1Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-123.7144.2172.1-179.70000110S30 I32 I33 C34 I319C7-S30 WeakPolarHBondContact CB-OG 3.31Å; C7-I32 PolarHBondContact N-O 2.85Å; C7-I33 HydrophobicContact CB-CG1 4.36Å; C7-C34 WeakPolarHBondContact O-CB 3.43Å; C7-C34 PolarHBondContact O-N 3.24Å; C7-I319 CarbonylContact C-O 3.55Å; C7-I319 VanDerWaalsContact CA-O 3.24Å; C7-I319 WeakPolarHBondContact CA-O 3.24Å; C7-I319 PolarHBondContact SG-O 3.43Å; C7-I319 VanDerWaalsContact SG-O 3.4Å
8S98.8Very high91.3Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-122.1138167.2-1640000110.9C34 Q36 G195 P318 I319S8-C34 CarbonylContact C-O 3.56Å; S8-C34 VanDerWaalsContact CA-O 3.31Å; S8-C34 WeakPolarHBondContact CA-O 3.45Å; S8-Q36 PolarHBondContact OG-NE2 3.04Å; S8-Q36 VanDerWaalsContact OG-NE2 3.15Å; S8-Q36 PolarHBondContact OG-OE1 3.34Å; S8-G195 VanDerWaalsContact OG-CA 3.23Å; S8-G195 WeakPolarHBondContact OG-CA 3.37Å; S8-G195 PolarHBondContact OG-N 3.16Å; S8-G195 VanDerWaalsContact OG-N 3.16Å; S8-P318 WeakPolarHBondContact O-CA 3.42Å; S8-I319 PolarHBondContact N-O 3.06Å; S8-I319 PolarHBondContact O-N 3Å
9W98.6Very high90.8Very high4 Ų444.6 Ų44.62%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-151.7116.4176.1-170.422.7000112.9I11 I17 I24 L28 C34 I35 Q36 I311 H316 P318W9-I11 HydrophobicContact CB-CG2 4.36Å; W9-I11 HydrophobicContact CD2-CG2 3.38Å; W9-I11 HydrophobicContact CE3-CG2 3.41Å; W9-I11 VanDerWaalsContact CE3-CG2 3.41Å; W9-I11 HydrophobicContact CG-CG2 3.82Å; W9-I11 HydrophobicContact CH2-CG2 4.24Å; W9-I11 HydrophobicContact CZ2-CG2 4.22Å; W9-I11 HydrophobicContact CZ3-CG2 3.85Å; W9-I11 PolarHBondContact O-N 3.34Å; W9-I17 HydrophobicContact CH2-CG2 4.22Å; W9-I24 HydrophobicContact CH2-CG2 4.34Å; W9-I24 HydrophobicContact CZ3-CG2 3.62Å; W9-L28 HydrophobicContact CE3-CD1 4.21Å; W9-L28 HydrophobicContact CE3-CD2 4.31Å; W9-C34 PolarHBondContact N-O 2.69Å; W9-I35 HydrophobicContact CB-CD1 4.15Å; W9-I35 HydrophobicContact CE3-CD1 4.39Å; W9-I35 WeakPolarHBondContact O-CA 3.23Å; W9-Q36 PolarHBondContact O-N 2.98Å; W9-Q36 PolarHBondContact O-OE1 3.13Å; W9-I311 HydrophobicContact CH2-CG2 4.25Å; W9-I311 HydrophobicContact CZ2-CG2 4.3Å; W9-H316 PolarHBondContact NE1-O 2.92Å; W9-P318 HydrophobicContact CB-CB 4.07Å; W9-P318 HydrophobicContact CB-CG 4.28Å; W9-P318 HydrophobicContact CD2-CB 4.45Å; W9-P318 HydrophobicContact CD2-CG 3.7Å; W9-P318 HydrophobicContact CE3-CG 4.16Å; W9-P318 HydrophobicContact CG-CB 4.05Å; W9-P318 HydrophobicContact CG-CG 3.75Å
10N98.4Very high90.7Very high0 Ų046.8 Ų46.80%023%0.231CC..EExtended strand (participates in β ladder)trans-74110.7162.1-176.7-21.5000109.5N12 Q36 E37 D196 S314 H316N10-N12 PolarHBondContact OD1-N 2.75Å; N10-N12 VanDerWaalsContact OD1-N 3.12Å; N10-Q36 HydrophobicContact CB-CB 4.12Å; N10-E37 PolarHBondContact ND2-OE1 3.01Å; N10-E37 VanDerWaalsContact OD1-CB 3.27Å; N10-E37 WeakPolarHBondContact OD1-CB 3.31Å; N10-E37 WeakPolarHBondContact OD1-CG 3.32Å; N10-D196 HydrophobicContact CB-CB 4.14Å; N10-D196 PolarHBondContact ND2-OD2 3.13Å; N10-S314 WeakPolarHBondContact O-CB 3.4Å; N10-S314 PolarHBondContact O-OG 3.14Å; N10-H316 HydrophobicContact CB-CB 4.16Å; N10-H316 WeakPolarHBondContact O-CB 3.38Å
11I96.4Very high90.7Very high1 Ų144.8 Ų44.81%0.00522%0.222CC..  trans-94.4-5.9-17358.8166.8000114.1W9 G13 L14 S16 I17 I35 Q36W9-I11 HydrophobicContact CB-CG2 4.36Å; W9-I11 HydrophobicContact CD2-CG2 3.38Å; W9-I11 HydrophobicContact CE3-CG2 3.41Å; W9-I11 VanDerWaalsContact CE3-CG2 3.41Å; W9-I11 HydrophobicContact CG-CG2 3.82Å; W9-I11 HydrophobicContact CH2-CG2 4.24Å; W9-I11 HydrophobicContact CZ2-CG2 4.22Å; W9-I11 HydrophobicContact CZ3-CG2 3.85Å; W9-I11 PolarHBondContact O-N 3.34Å; I11-G13 PolarHBondContact O-N 3.37Å; I11-L14 VanDerWaalsContact CD1-CA 3.43Å; I11-L14 HydrophobicContact CD1-CB 3.83Å; I11-L14 HydrophobicContact CD1-CD1 3.31Å; I11-L14 HydrophobicContact CD1-CG 4.16Å; I11-S16 PolarHBondContact O-OG 3.33Å; I11-I17 HydrophobicContact CB-CG2 4Å; I11-I17 HydrophobicContact CD1-CG2 4.42Å; I11-I17 HydrophobicContact CG2-CG2 4.27Å; I11-I35 HydrophobicContact CB-CG2 4.44Å; I11-I35 HydrophobicContact CD1-CG2 3.48Å; I11-I35 VanDerWaalsContact CD1-CG2 3.48Å; I11-I35 HydrophobicContact CG1-CG2 3.61Å; I11-I35 HydrophobicContact CG2-CD1 4.12Å; I11-I35 HydrophobicContact CG2-CG2 4.02Å; I11-Q36 WeakPolarHBondContact CG1-O 2.99Å; I11-Q36 PolarHBondContact N-O 3.39Å; I11-Q36 VanDerWaalsContact N-O 3.08Å
12N94.6Very high91.6Very high60 Ų6040.3 Ų40.332%0.32120%0.198SC..SBendtrans54.536.2-177.2-1663.6000113.8N10 K39 D315N10-N12 PolarHBondContact OD1-N 2.75Å; N10-N12 VanDerWaalsContact OD1-N 3.12Å; N12-K39 PolarHBondContact OD1-NZ 3.31Å; N12-D315 WeakPolarHBondContact CB-OD1 3.17Å; N12-D315 PolarHBondContact ND2-OD1 3.31Å
13G94.2Very high92Very high7 Ų741 Ų417%0.07221%0.207CC..  trans114.3123.617600000113.3I11 R15 S16 E37 T38I11-G13 PolarHBondContact O-N 3.37Å; G13-R15 PolarHBondContact O-N 3.13Å; G13-S16 PolarHBondContact O-N 3.17Å; G13-S16 PolarHBondContact O-OG 3.24Å; G13-E37 WeakPolarHBondContact CA-O 3.46Å; G13-E37 PolarHBondContact N-O 3.43Å; G13-T38 WeakPolarHBondContact CA-O 3.36Å
14L89.9Confident92.2Very high2 Ų238.9 Ų38.91%0.0120%0.201CC..THydrogen-bonded Turntrans-64.7-13.4-179.1-15861.3000114I11 I17 L21 T38 T40 I44 F48 F58I11-L14 VanDerWaalsContact CD1-CA 3.43Å; I11-L14 HydrophobicContact CD1-CB 3.83Å; I11-L14 HydrophobicContact CD1-CD1 3.31Å; I11-L14 HydrophobicContact CD1-CG 4.16Å; L14-I17 HydrophobicContact CD1-CD1 3.67Å; L14-I17 WeakPolarHBondContact O-CG1 3.43Å; L14-L21 HydrophobicContact CD1-CD1 4.43Å; L14-T38 PolarHBondContact N-O 2.79Å; L14-T40 HydrophobicContact CB-CG2 3.72Å; L14-T40 HydrophobicContact CD2-CG2 3.97Å; L14-I44 HydrophobicContact CD2-CD1 4.28Å; L14-F48 HydrophobicContact CD2-CB 3.85Å; L14-F48 VanDerWaalsContact CD2-O 3.29Å; L14-F48 WeakPolarHBondContact CD2-O 3.33Å; L14-F48 HydrophobicContact CG-CB 4.15Å; L14-F48 HydrophobicContact CG-CD1 4.19Å; L14-F48 WeakPolarHBondContact O-CD1 3.33Å; L14-F48 WeakPolarHBondContact O-CE1 3.47Å; L14-F58 HydrophobicContact CD2-CE1 4.03Å
15R87.8Confident92.3Very high138 Ų13839 Ų3952%0.52120%0.201SC..THydrogen-bonded Turntrans-88.3-10.4175.2-54.1-175.9-150-87.43.4114.2G13 F48G13-R15 PolarHBondContact O-N 3.13Å; R15-F48 HydrophobicContact CB-CE1 4.27Å; R15-F48 HydrophobicContact CG-CE1 4.05Å; R15-F48 HydrophobicContact CG-CZ 4.1Å
16S85.3Confident92.2Very high67 Ų6739.4 Ų39.447%0.46921%0.206SC..THydrogen-bonded Turntrans-89.5-18.3-179.866.80000112.9I11 G13I11-S16 PolarHBondContact O-OG 3.33Å; G13-S16 PolarHBondContact O-N 3.17Å; G13-S16 PolarHBondContact O-OG 3.24Å
17I83.7Confident92.1Very high9 Ų942.2 Ų42.25%0.04623%0.226CC..SBendtrans-79.5154.9-177.868.1171.6000111.6W9 I11 L14 H19 L21 I24W9-I17 HydrophobicContact CH2-CG2 4.22Å; I11-I17 HydrophobicContact CB-CG2 4Å; I11-I17 HydrophobicContact CD1-CG2 4.42Å; I11-I17 HydrophobicContact CG2-CG2 4.27Å; L14-I17 HydrophobicContact CD1-CD1 3.67Å; L14-I17 WeakPolarHBondContact O-CG1 3.43Å; I17-H19 PolarHBondContact O-CD2 2.55Å; I17-H19 PolarHBondContact O-NE2 3.17Å; I17-L21 HydrophobicContact CD1-CD1 3.99Å; I17-I24 HydrophobicContact CB-CD1 3.63Å; I17-I24 HydrophobicContact CD1-CD1 4Å; I17-I24 HydrophobicContact CG1-CD1 4Å
18Q78.6Confident92Very high159 Ų15942.2 Ų42.274%0.74323%0.226SC*.  trans-68144.5178.8-170.1173.86.300111.8I24Q18-I24 HydrophobicContact CB-CD1 4.03Å; Q18-I24 WeakPolarHBondContact O-CD1 3.27Å; Q18-I24 WeakPolarHBondContact O-CG1 3.27Å
19H81Confident91.9Very high78 Ų7846 Ų4636%0.36125%0.249SC..SBendtrans-106.5151.6177-69.2-73.3000111.5I17 F48I17-H19 PolarHBondContact O-CD2 2.55Å; I17-H19 PolarHBondContact O-NE2 3.17Å; H19-F48 AromaticContact CE1-CD1 3.3Å; H19-F48 WeakPolarHBondContact CE1-CD1 3.45Å; H19-F48 AromaticContact CE1-CE1 3.09Å; H19-F48 WeakPolarHBondContact CE1-CE1 3.41Å; H19-F48 AromaticContact CE1-CZ 3.97Å; H19-F48 AromaticContact NE2-CD1 3.76Å; H19-F48 AromaticContact NE2-CE1 3.05Å; H19-F48 WeakPolarHBondContact NE2-CE1 3.31Å; H19-F48 AromaticContact NE2-CZ 3.79Å
20P88.6Confident91.8Very high88 Ų8845.8 Ų45.857%0.57125%0.249SC*.  cis-78.8150.67.331.6-35.4000114.2K22 S23P20-K22 PolarHBondContact O-N 3.28Å; P20-K22 VanDerWaalsContact O-N 3.16Å; P20-S23 WeakPolarHBondContact O-CB 3.25Å; P20-S23 PolarHBondContact O-N 2.9Å
21L91.8Very high91.7Very high5 Ų546.4 Ų46.43%0.02625%0.252CS..Hα-helixtrans-52-40.6-179.7176.263.8000112.6L14 I17 S23 I24 L25 E47 F48 A51 F73L14-L21 HydrophobicContact CD1-CD1 4.43Å; I17-L21 HydrophobicContact CD1-CD1 3.99Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 3.24Å; L21-I24 PolarHBondContact O-N 3.49Å; L21-I24 VanDerWaalsContact O-N 3.13Å; L21-L25 HydrophobicContact CD1-CD1 4.29Å; L21-L25 HydrophobicContact CD1-CD2 4.4Å; L21-L25 HydrophobicContact CD1-CG 4.13Å; L21-L25 HydrophobicContact CD2-CD1 4.39Å; L21-L25 HydrophobicContact CG-CD1 3.94Å; L21-L25 HydrophobicContact CG-CG 4.19Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-E47 WeakPolarHBondContact CB-O 3.45Å; L21-F48 VanDerWaalsContact CD2-O 3.29Å; L21-F48 WeakPolarHBondContact CD2-O 3.34Å; L21-A51 HydrophobicContact CB-CB 4.48Å; L21-A51 HydrophobicContact CD2-CB 4.14Å; L21-A51 HydrophobicContact CG-CB 4.15Å; L21-F73 HydrophobicContact CD2-CE1 3.91Å; L21-F73 HydrophobicContact CD2-CZ 3.88Å
22K93.8Very high91.8Very high65 Ų6546.4 Ų46.428%0.28325%0.252SS..Hα-helixtrans-53.3-44.9176.9-175.3-175.8-175.2-63.70112.8P20 I24 L25 D26 A51 D52P20-K22 PolarHBondContact O-N 3.28Å; P20-K22 VanDerWaalsContact O-N 3.16Å; K22-I24 PolarHBondContact O-N 2.71Å; K22-L25 PolarHBondContact O-N 3.13Å; K22-D26 IonicContact NZ-OD2 3.64Å; K22-D26 PolarHBondContact NZ-OD2 3.43Å; K22-D26 WeakPolarHBondContact O-CB 2.93Å; K22-D26 PolarHBondContact O-N 3.21Å; K22-A51 HydrophobicContact CB-CB 4.02Å; K22-D52 HydrophobicContact CD-CB 4.07Å
23S93.5Very high92Very high74 Ų7443.5 Ų43.552%0.51724%0.236SC..Hα-helixtrans-62.8-33.5-177.8-174.90000112P20 L21 S27P20-S23 WeakPolarHBondContact O-CB 3.25Å; P20-S23 PolarHBondContact O-N 2.9Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 3.24Å; S23-S27 PolarHBondContact O-N 3.06Å
24I93.4Very high92.2Very high20 Ų2043.2 Ų43.210%0.10323%0.233CC..Hα-helixtrans-74.5-46.2176-69.4-166.3000110.7W9 I17 Q18 L21 K22 D26 S27 L28W9-I24 HydrophobicContact CH2-CG2 4.34Å; W9-I24 HydrophobicContact CZ3-CG2 3.62Å; I17-I24 HydrophobicContact CB-CD1 3.63Å; I17-I24 HydrophobicContact CD1-CD1 4Å; I17-I24 HydrophobicContact CG1-CD1 4Å; Q18-I24 HydrophobicContact CB-CD1 4.03Å; Q18-I24 WeakPolarHBondContact O-CD1 3.27Å; Q18-I24 WeakPolarHBondContact O-CG1 3.27Å; L21-I24 PolarHBondContact O-N 3.49Å; L21-I24 VanDerWaalsContact O-N 3.13Å; K22-I24 PolarHBondContact O-N 2.71Å; I24-D26 VanDerWaalsContact C-N 3.25Å; I24-D26 PolarHBondContact O-N 2.98Å; I24-S27 PolarHBondContact O-N 3.29Å; I24-S27 PolarHBondContact O-OG 2.85Å; I24-L28 WeakPolarHBondContact O-CG 3.42Å; I24-L28 PolarHBondContact O-N 2.64Å
25L95.9Very high92.6Very high2 Ų243.3 Ų43.31%0.0123%0.234CC..Hα-helixtrans-62.3-36.9179.3-62.7178.3000111.6L21 K22 L28 I33 A51 Y54 F73L21-L25 HydrophobicContact CD1-CD1 4.29Å; L21-L25 HydrophobicContact CD1-CD2 4.4Å; L21-L25 HydrophobicContact CD1-CG 4.13Å; L21-L25 HydrophobicContact CD2-CD1 4.39Å; L21-L25 HydrophobicContact CG-CD1 3.94Å; L21-L25 HydrophobicContact CG-CG 4.19Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 3.13Å; L25-L28 PolarHBondContact O-N 2.93Å; L25-I33 HydrophobicContact CB-CD1 3.98Å; L25-I33 HydrophobicContact CD2-CD1 3.84Å; L25-I33 HydrophobicContact CD2-CG2 4.11Å; L25-I33 HydrophobicContact CG-CD1 4.46Å; L25-A51 HydrophobicContact CD1-CB 3.82Å; L25-Y54 HydrophobicContact CB-CD1 4.38Å; L25-Y54 HydrophobicContact CB-CD2 4.19Å; L25-Y54 HydrophobicContact CB-CE1 3.91Å; L25-Y54 HydrophobicContact CB-CE2 3.72Å; L25-Y54 HydrophobicContact CB-CG 4.48Å; L25-Y54 HydrophobicContact CD1-CD1 4.08Å; L25-Y54 HydrophobicContact CD1-CD2 3.96Å; L25-Y54 HydrophobicContact CD1-CE1 4.44Å; L25-Y54 HydrophobicContact CD1-CE2 4.34Å; L25-Y54 HydrophobicContact CD1-CG 3.79Å; L25-Y54 PolarHBondContact O-OH 2.87Å; L25-F73 HydrophobicContact CD1-CB 4.09Å; L25-F73 HydrophobicContact CD1-CD1 3.89Å; L25-F73 HydrophobicContact CD1-CD2 4.35Å; L25-F73 HydrophobicContact CD1-CE1 4.4Å; L25-F73 HydrophobicContact CD1-CG 3.86Å; L25-F73 HydrophobicContact CD2-CB 4.28Å; L25-F73 HydrophobicContact CD2-CD2 3.93Å; L25-F73 HydrophobicContact CD2-CE2 4.49Å; L25-F73 HydrophobicContact CD2-CG 4.14Å
26D95.9Very high93.1Very high48 Ų4836.8 Ų36.826%0.25721%0.209SC..Hα-helixtrans-67.3-38.6176.2-77.5-33.5000112.2K22 I24 L28 T29 Y54 R75K22-D26 IonicContact NZ-OD2 3.64Å; K22-D26 PolarHBondContact NZ-OD2 3.43Å; K22-D26 WeakPolarHBondContact O-CB 2.93Å; K22-D26 PolarHBondContact O-N 3.21Å; I24-D26 VanDerWaalsContact C-N 3.25Å; I24-D26 PolarHBondContact O-N 2.98Å; D26-L28 PolarHBondContact O-N 3.21Å; D26-T29 PolarHBondContact O-N 2.82Å; D26-Y54 WeakPolarHBondContact CA-OH 3.4Å; D26-Y54 PolarHBondContact N-OH 2.65Å; D26-Y54 PolarHBondContact OD1-OH 2.87Å; D26-Y54 VanDerWaalsContact OD1-OH 3.1Å; D26-R75 IonicContact OD1-CZ 2.64Å; D26-R75 IonicContact OD1-NH1 3.67Å; D26-R75 PolarHBondContact OD1-NH1 3.32Å; D26-R75 IonicContact OD1-NH2 3.72Å
27S94.9Very high93.7Very high59 Ų5934.6 Ų34.641%0.41319%0.191SC..Hα-helixtrans-67.6-19.6179.875.20000113.6S23 I24 T29S23-S27 PolarHBondContact O-N 3.06Å; I24-S27 PolarHBondContact O-N 3.29Å; I24-S27 PolarHBondContact O-OG 2.85Å; S27-T29 PolarHBondContact O-N 3.15Å
28L96.9Very high94.3Very high0 Ų034.2 Ų34.20%019%0.189CC..THydrogen-bonded Turntrans-73.7-15173.2-62.7176000112.8W9 I24 L25 D26 S30 I33 M308 I311 P318W9-L28 HydrophobicContact CE3-CD1 4.21Å; W9-L28 HydrophobicContact CE3-CD2 4.31Å; I24-L28 WeakPolarHBondContact O-CG 3.42Å; I24-L28 PolarHBondContact O-N 2.64Å; L25-L28 PolarHBondContact O-N 2.93Å; D26-L28 PolarHBondContact O-N 3.21Å; L28-S30 PolarHBondContact O-N 3.4Å; L28-S30 VanDerWaalsContact O-N 3.15Å; L28-S30 PolarHBondContact O-OG 3.25Å; L28-S30 VanDerWaalsContact O-OG 3.06Å; L28-I33 HydrophobicContact CB-CD1 4.39Å; L28-I33 HydrophobicContact CD1-CD1 4.22Å; L28-I33 HydrophobicContact CD1-CG1 4.45Å; L28-I33 HydrophobicContact CD1-CG2 3.55Å; L28-M308 HydrophobicContact CD2-SD 4.2Å; L28-I311 HydrophobicContact CD2-CD1 3.78Å; L28-P318 HydrophobicContact CD2-CB 3.69Å; L28-P318 HydrophobicContact CD2-CG 3.43Å; L28-P318 VanDerWaalsContact CD2-CG 3.43Å
29T95.9Very high95.1Very high80 Ų8029.2 Ų29.249%0.49117%0.165SC..THydrogen-bonded Turntrans53.832.3177.162.20000114.5R5 D26 S27R5-T29 WeakPolarHBondContact CD-O 3.24Å; D26-T29 PolarHBondContact O-N 2.82Å; S27-T29 PolarHBondContact O-N 3.15Å
30S97.6Very high95.7Very high0 Ų025.6 Ų25.60%015%0.148CC..  trans-125.7163.1-175-61.10000112.5R5 C7 L28 R75R5-S30 WeakPolarHBondContact CD-OG 3.41Å; R5-S30 WeakPolarHBondContact CG-OG 3.36Å; C7-S30 WeakPolarHBondContact CB-OG 3.31Å; L28-S30 PolarHBondContact O-N 3.4Å; L28-S30 VanDerWaalsContact O-N 3.15Å; L28-S30 PolarHBondContact O-OG 3.25Å; L28-S30 VanDerWaalsContact O-OG 3.06Å; S30-R75 PolarHBondContact O-NE 2.8Å; S30-R75 PolarHBondContact O-NH2 3.04Å
31D96.7Very high95.9Very high13 Ų1322.6 Ų22.67%0.0713%0.128CC..SBendtrans-101.4-36-178.1-50.3-76.7000112.6V4 R5 C74 R75 L78 Y327V4-D31 WeakPolarHBondContact CA-OD2 3.3Å; V4-D31 HydrophobicContact CG1-CB 4.5Å; R5-D31 PolarHBondContact N-OD2 2.51Å; R5-D31 PolarHBondContact O-N 2.98Å; D31-C74 CarbonylContact O-C 3.53Å; D31-C74 WeakPolarHBondContact O-CA 3.21Å; D31-R75 HydrophobicContact CB-CB 4.41Å; D31-R75 PolarHBondContact O-N 3.35Å; D31-L78 HydrophobicContact CB-CD1 3.53Å; D31-Y327 PolarHBondContact OD1-OH 3.14Å
32I98.2Very high95.8Very high0 Ų026.3 Ų26.30%015%0.153CC..EExtended strand (participates in β ladder)trans-117.3111.6175-54.4173.4000107.8V4 R5 I6 C7 V72 L78 F133 V152V4-I32 HydrophobicContact CG1-CD1 4.15Å; R5-I32 PolarHBondContact O-N 2.64Å; I6-I32 CarbonylContact C-O 3.55Å; I6-I32 VanDerWaalsContact CA-O 3.29Å; I6-I32 WeakPolarHBondContact CA-O 3.35Å; I6-I32 HydrophobicContact CG1-CB 4.38Å; I6-I32 HydrophobicContact CG1-CG2 4.46Å; C7-I32 PolarHBondContact N-O 2.85Å; I32-V72 HydrophobicContact CG2-CG1 3.75Å; I32-L78 HydrophobicContact CG1-CD1 4.18Å; I32-F133 HydrophobicContact CD1-CD2 4.49Å; I32-F133 HydrophobicContact CD1-CE1 4.36Å; I32-F133 HydrophobicContact CD1-CE2 3.78Å; I32-F133 HydrophobicContact CD1-CZ 3.7Å; I32-F133 HydrophobicContact CG1-CZ 4.15Å; I32-V152 HydrophobicContact CD1-CG2 4.06Å; I32-V152 HydrophobicContact CG2-CG1 4.09Å
33I98.6Very high95.6Very high0 Ų029.1 Ų29.10%017%0.171CC..EExtended strand (participates in β ladder)trans-114103.6-173.1-58.6166.4000109C7 L25 L28 I35 Y54 V72 F73C7-I33 HydrophobicContact CB-CG1 4.36Å; L25-I33 HydrophobicContact CB-CD1 3.98Å; L25-I33 HydrophobicContact CD2-CD1 3.84Å; L25-I33 HydrophobicContact CD2-CG2 4.11Å; L25-I33 HydrophobicContact CG-CD1 4.46Å; L28-I33 HydrophobicContact CB-CD1 4.39Å; L28-I33 HydrophobicContact CD1-CD1 4.22Å; L28-I33 HydrophobicContact CD1-CG1 4.45Å; L28-I33 HydrophobicContact CD1-CG2 3.55Å; I33-I35 HydrophobicContact CG2-CD1 3.67Å; I33-I35 HydrophobicContact CG2-CG1 4.07Å; I33-Y54 HydrophobicContact CD1-CE1 3.76Å; I33-V72 CarbonylContact O-C 3.39Å; I33-V72 VanDerWaalsContact O-CA 3.28Å; I33-V72 WeakPolarHBondContact O-CA 3.34Å; I33-F73 HydrophobicContact CB-CB 4.36Å; I33-F73 PolarHBondContact N-O 2.78Å; I33-F73 PolarHBondContact O-N 2.77Å
34C98.8Very high95.5Very high0 Ų025.7 Ų25.70%015%0.147CC..EExtended strand (participates in β ladder)trans-83.6123.7175.6-600000110.3C7 S8 W9 A194C7-C34 WeakPolarHBondContact O-CB 3.43Å; C7-C34 PolarHBondContact O-N 3.24Å; S8-C34 CarbonylContact C-O 3.56Å; S8-C34 VanDerWaalsContact CA-O 3.31Å; S8-C34 WeakPolarHBondContact CA-O 3.45Å; W9-C34 PolarHBondContact N-O 2.69Å; C34-A194 HydrophobicContact CB-CB 4.17Å
35I98.2Very high95.3Very high5 Ų526.6 Ų26.63%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-119.6130.8-176.9-59.7-61.9000109.4W9 I11 I33 T38 T70 A71 F73W9-I35 HydrophobicContact CB-CD1 4.15Å; W9-I35 HydrophobicContact CE3-CD1 4.39Å; W9-I35 WeakPolarHBondContact O-CA 3.23Å; I11-I35 HydrophobicContact CB-CG2 4.44Å; I11-I35 HydrophobicContact CD1-CG2 3.48Å; I11-I35 VanDerWaalsContact CD1-CG2 3.48Å; I11-I35 HydrophobicContact CG1-CG2 3.61Å; I11-I35 HydrophobicContact CG2-CD1 4.12Å; I11-I35 HydrophobicContact CG2-CG2 4.02Å; I33-I35 HydrophobicContact CG2-CD1 3.67Å; I33-I35 HydrophobicContact CG2-CG1 4.07Å; I35-T38 HydrophobicContact CG2-CG2 3.91Å; I35-T70 CarbonylContact O-C 3.57Å; I35-T70 VanDerWaalsContact O-CA 3.27Å; I35-T70 WeakPolarHBondContact O-CA 3.27Å; I35-A71 HydrophobicContact CB-CB 4.3Å; I35-A71 PolarHBondContact N-O 3.25Å; I35-A71 PolarHBondContact O-N 2.78Å; I35-F73 HydrophobicContact CG1-CD2 4.12Å; I35-F73 HydrophobicContact CG1-CE2 4.22Å
36Q98.4Very high95Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-115.3161.1175.8-58.881.539.500111.5S8 W9 N10 I11 T38 T70 S154 Y156S8-Q36 PolarHBondContact OG-NE2 3.04Å; S8-Q36 VanDerWaalsContact OG-NE2 3.15Å; S8-Q36 PolarHBondContact OG-OE1 3.34Å; W9-Q36 PolarHBondContact O-N 2.98Å; W9-Q36 PolarHBondContact O-OE1 3.13Å; N10-Q36 HydrophobicContact CB-CB 4.12Å; I11-Q36 WeakPolarHBondContact CG1-O 2.99Å; I11-Q36 PolarHBondContact N-O 3.39Å; I11-Q36 VanDerWaalsContact N-O 3.08Å; Q36-T38 PolarHBondContact O-N 3.05Å; Q36-T70 HydrophobicContact CG-CG2 4.3Å; Q36-S154 PolarHBondContact NE2-OG 3.08Å; Q36-Y156 HydrophobicContact CB-CD2 4.19Å; Q36-Y156 HydrophobicContact CB-CG 4.16Å
37E96.8Very high94.7Very high22 Ų2231.9 Ų31.910%0.10318%0.175CC..  trans51.548.9-172.5-65.5-163.6-140.900113.5N10 G13 K39 G69 Y156N10-E37 PolarHBondContact ND2-OE1 3.01Å; N10-E37 VanDerWaalsContact OD1-CB 3.27Å; N10-E37 WeakPolarHBondContact OD1-CB 3.31Å; N10-E37 WeakPolarHBondContact OD1-CG 3.32Å; G13-E37 WeakPolarHBondContact CA-O 3.46Å; G13-E37 PolarHBondContact N-O 3.43Å; E37-K39 PolarHBondContact O-N 2.57Å; E37-K39 WeakPolarHBondContact OE2-CE 3.39Å; E37-K39 IonicContact OE2-NZ 2.8Å; E37-K39 PolarHBondContact OE2-NZ 3.03Å; E37-G69 PolarHBondContact N-O 3.48Å; E37-Y156 HydrophobicContact CG-CD1 4.05Å; E37-Y156 HydrophobicContact CG-CD2 4.26Å; E37-Y156 HydrophobicContact CG-CE1 3.49Å; E37-Y156 VanDerWaalsContact CG-CE1 3.49Å; E37-Y156 HydrophobicContact CG-CE2 3.69Å; E37-Y156 HydrophobicContact CG-CG 4.43Å; E37-Y156 WeakPolarHBondContact CG-OH 3.18Å; E37-Y156 WeakPolarHBondContact OE1-CE2 3.12Å; E37-Y156 VanDerWaalsContact OE1-CZ 3.22Å; E37-Y156 PolarHBondContact OE1-OH 3.13Å
38T96.6Very high94.5Very high1 Ų130 Ų301%0.00616%0.16CC..  trans-59.7-34.9177.565.60000111.4G13 L14 I35 Q36 T40 G69 A71G13-T38 WeakPolarHBondContact CA-O 3.36Å; L14-T38 PolarHBondContact N-O 2.79Å; I35-T38 HydrophobicContact CG2-CG2 3.91Å; Q36-T38 PolarHBondContact O-N 3.05Å; T38-T40 WeakPolarHBondContact O-CG2 3.36Å; T38-T40 PolarHBondContact O-N 3.01Å; T38-T40 PolarHBondContact OG1-OG1 3.16Å; T38-G69 PolarHBondContact N-O 2.9Å; T38-G69 WeakPolarHBondContact OG1-CA 3.15Å; T38-A71 HydrophobicContact CG2-CB 3.75Å
39K96.1Very high94.2Very high54 Ų5430 Ų3024%0.23516%0.16CC..  trans53.641.5-179.3-63.3177.8-179.3164.10112N12 E37 G66N12-K39 PolarHBondContact OD1-NZ 3.31Å; E37-K39 PolarHBondContact O-N 2.57Å; E37-K39 WeakPolarHBondContact OE2-CE 3.39Å; E37-K39 IonicContact OE2-NZ 2.8Å; E37-K39 PolarHBondContact OE2-NZ 3.03Å; K39-G66 WeakPolarHBondContact CB-O 3.09Å; K39-G66 WeakPolarHBondContact CG-O 3.18Å; K39-G66 WeakPolarHBondContact O-CA 3.22Å
40T93.8Very high93.9Very high1 Ų128.1 Ų28.11%0.00615%0.145CC..  trans-116.7166-176.764.60000111.1L14 T38 I44 H60L14-T40 HydrophobicContact CB-CG2 3.72Å; L14-T40 HydrophobicContact CD2-CG2 3.97Å; T38-T40 WeakPolarHBondContact O-CG2 3.36Å; T38-T40 PolarHBondContact O-N 3.01Å; T38-T40 PolarHBondContact OG1-OG1 3.16Å; T40-I44 HydrophobicContact CG2-CD1 3.2Å; T40-H60 PolarHBondContact O-ND1 2.96Å; T40-H60 PolarHBondContact OG1-CE1 3.29Å; T40-H60 PolarHBondContact OG1-ND1 3.23Å
41T92.8Very high93.6Very high25 Ų2528.4 Ų28.415%0.15315%0.147CC..  trans-116.9160.617245.40000109.1D43 I44 T65T41-D43 WeakPolarHBondContact CB-OD1 3.12Å; T41-D43 PolarHBondContact O-N 3.4Å; T41-D43 VanDerWaalsContact O-N 3.11Å; T41-D43 PolarHBondContact OG1-OD1 3.18Å; T41-I44 WeakPolarHBondContact O-CB 3.45Å; T41-I44 WeakPolarHBondContact O-CG2 3.44Å; T41-I44 PolarHBondContact O-N 3.05Å; T41-T65 HydrophobicContact CG2-CG2 3.92Å
42P89.8Confident93.4Very high84 Ų8432.1 Ų32.155%0.54517%0.167SC..THydrogen-bonded Turntrans-59.2-22.3-177.5-2634.7000115.3I44 H60 Q347P42-I44 VanDerWaalsContact C-N 3.26Å; P42-I44 PolarHBondContact O-N 2.89Å; P42-H60 HydrophobicContact CG-CB 4.42Å; P42-Q347 PolarHBondContact O-NE2 2.84Å; P42-Q347 VanDerWaalsContact O-NE2 3.13Å
43D89.4Confident93.1Very high123 Ų12336.5 Ų36.566%0.65819%0.191SC*.THydrogen-bonded Turntrans-85.811.5176.366-36.6000113.4T41 S45T41-D43 WeakPolarHBondContact CB-OD1 3.12Å; T41-D43 PolarHBondContact O-N 3.4Å; T41-D43 VanDerWaalsContact O-N 3.11Å; T41-D43 PolarHBondContact OG1-OD1 3.18Å; D43-S45 PolarHBondContact O-N 3.43Å
44I89.7Confident93Very high3 Ų336.8 Ų36.82%0.01519%0.192CC..  trans-55.8140.1176.6-169.9163.1000111.4L14 T40 T41 P42 F48 A49 W345 Q347L14-I44 HydrophobicContact CD2-CD1 4.28Å; T40-I44 HydrophobicContact CG2-CD1 3.2Å; T41-I44 WeakPolarHBondContact O-CB 3.45Å; T41-I44 WeakPolarHBondContact O-CG2 3.44Å; T41-I44 PolarHBondContact O-N 3.05Å; P42-I44 VanDerWaalsContact C-N 3.26Å; P42-I44 PolarHBondContact O-N 2.89Å; I44-F48 HydrophobicContact CD1-CB 3.39Å; I44-F48 HydrophobicContact CD1-CD1 4.48Å; I44-F48 HydrophobicContact CD1-CD2 3.86Å; I44-F48 HydrophobicContact CD1-CG 3.69Å; I44-F48 HydrophobicContact CG1-CB 3.75Å; I44-F48 HydrophobicContact CG1-CD2 3.75Å; I44-F48 HydrophobicContact CG1-CG 4.03Å; I44-A49 HydrophobicContact CG2-CB 4.21Å; I44-W345 HydrophobicContact CG2-CZ3 3.94Å; I44-Q347 WeakPolarHBondContact O-CG 3.19Å; I44-Q347 PolarHBondContact O-NE2 3.38Å
45S89.7Confident92.8Very high38 Ų3837.1 Ų37.127%0.26619%0.194SC..  trans-67.1155.8-17750.50000112.9D43 E47 F48 A49D43-S45 PolarHBondContact O-N 3.43Å; S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 VanDerWaalsContact CB-CD 3.45Å; S45-E47 WeakPolarHBondContact CB-OE1 3.37Å; S45-E47 WeakPolarHBondContact CB-OE2 3.28Å; S45-E47 PolarHBondContact O-N 2.59Å; S45-E47 PolarHBondContact OG-OE1 2.97Å; S45-E47 PolarHBondContact OG-OE2 2.94Å; S45-F48 PolarHBondContact O-N 3.25Å; S45-F48 VanDerWaalsContact O-N 3.14Å; S45-F48 WeakPolarHBondContact OG-CD2 3.39Å; S45-F48 VanDerWaalsContact OG-CE2 3.31Å; S45-F48 WeakPolarHBondContact OG-CE2 3.4Å; S45-A49 PolarHBondContact O-N 3.04Å
46R89.9Confident92.7Very high60 Ų6036.9 Ų36.923%0.22619%0.192CC..Hα-helixtrans-53.5-40.4-170.3-179.8-176-176.9115.315.8112.9F48 A49 F50 C348 K350R46-F48 PolarHBondContact O-N 2.79Å; R46-A49 PolarHBondContact O-N 3.25Å; R46-F50 HydrophobicContact CG-CB 3.82Å; R46-F50 HydrophobicContact CG-CG 4.41Å; R46-F50 VanDerWaalsContact NH2-CE1 3.3Å; R46-F50 WeakPolarHBondContact O-CB 3.14Å; R46-F50 PolarHBondContact O-N 2.77Å; R46-C348 VanDerWaalsContact NH1-C 3.33Å; R46-C348 PolarHBondContact NH1-O 2.88Å; R46-C348 PolarHBondContact NH2-O 3.28Å; R46-K350 VanDerWaalsContact NH1-CG 3.32Å
47E89.8Confident92.7Very high101 Ų10136.9 Ų36.947%0.47219%0.192SC..Hα-helixtrans-61.4-14.7-175.966.5-83.7-168.800114.4L21 S45L21-E47 WeakPolarHBondContact CB-O 3.45Å; S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 VanDerWaalsContact CB-CD 3.45Å; S45-E47 WeakPolarHBondContact CB-OE1 3.37Å; S45-E47 WeakPolarHBondContact CB-OE2 3.28Å; S45-E47 PolarHBondContact O-N 2.59Å; S45-E47 PolarHBondContact OG-OE1 2.97Å; S45-E47 PolarHBondContact OG-OE2 2.94Å
48F90.5Very high92.7Very high21 Ų2136.2 Ų36.29%0.09219%0.189CC..Hα-helixtrans-108.8-19174.7-55.4-81.3000113.7L14 R15 H19 L21 I44 S45 R46L14-F48 HydrophobicContact CD2-CB 3.85Å; L14-F48 VanDerWaalsContact CD2-O 3.29Å; L14-F48 WeakPolarHBondContact CD2-O 3.33Å; L14-F48 HydrophobicContact CG-CB 4.15Å; L14-F48 HydrophobicContact CG-CD1 4.19Å; L14-F48 WeakPolarHBondContact O-CD1 3.33Å; L14-F48 WeakPolarHBondContact O-CE1 3.47Å; R15-F48 HydrophobicContact CB-CE1 4.27Å; R15-F48 HydrophobicContact CG-CE1 4.05Å; R15-F48 HydrophobicContact CG-CZ 4.1Å; H19-F48 AromaticContact CE1-CD1 3.3Å; H19-F48 WeakPolarHBondContact CE1-CD1 3.45Å; H19-F48 AromaticContact CE1-CE1 3.09Å; H19-F48 WeakPolarHBondContact CE1-CE1 3.41Å; H19-F48 AromaticContact CE1-CZ 3.97Å; H19-F48 AromaticContact NE2-CD1 3.76Å; H19-F48 AromaticContact NE2-CE1 3.05Å; H19-F48 WeakPolarHBondContact NE2-CE1 3.31Å; H19-F48 AromaticContact NE2-CZ 3.79Å; L21-F48 VanDerWaalsContact CD2-O 3.29Å; L21-F48 WeakPolarHBondContact CD2-O 3.34Å; I44-F48 HydrophobicContact CD1-CB 3.39Å; I44-F48 HydrophobicContact CD1-CD1 4.48Å; I44-F48 HydrophobicContact CD1-CD2 3.86Å; I44-F48 HydrophobicContact CD1-CG 3.69Å; I44-F48 HydrophobicContact CG1-CB 3.75Å; I44-F48 HydrophobicContact CG1-CD2 3.75Å; I44-F48 HydrophobicContact CG1-CG 4.03Å; S45-F48 PolarHBondContact O-N 3.25Å; S45-F48 VanDerWaalsContact O-N 3.14Å; S45-F48 WeakPolarHBondContact OG-CD2 3.39Å; S45-F48 VanDerWaalsContact OG-CE2 3.31Å; S45-F48 WeakPolarHBondContact OG-CE2 3.4Å; R46-F48 PolarHBondContact O-N 2.79Å
49A90.5Very high92.7Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-103.5-18.5-175.900000113.5I44 S45 R46 F58 S342 W345I44-A49 HydrophobicContact CG2-CB 4.21Å; S45-A49 PolarHBondContact O-N 3.04Å; R46-A49 PolarHBondContact O-N 3.25Å; A49-F58 HydrophobicContact CB-CE2 4.38Å; A49-F58 HydrophobicContact CB-CZ 4.31Å; A49-S342 VanDerWaalsContact O-CB 3.31Å; A49-S342 WeakPolarHBondContact O-CB 3.23Å; A49-S342 PolarHBondContact O-OG 3.42Å; A49-W345 HydrophobicContact CB-CE3 3.83Å; A49-W345 HydrophobicContact CB-CZ3 3.6Å
50F90Very high92.7Very high40 Ų4035.2 Ų35.218%0.17519%0.186CC..  trans-129.5131.1-173.1-175-88000111R46 D52 C348R46-F50 HydrophobicContact CG-CB 3.82Å; R46-F50 HydrophobicContact CG-CG 4.41Å; R46-F50 VanDerWaalsContact NH2-CE1 3.3Å; R46-F50 WeakPolarHBondContact O-CB 3.14Å; R46-F50 PolarHBondContact O-N 2.77Å; F50-D52 WeakPolarHBondContact CE1-OD1 3.45Å; F50-C348 HydrophobicContact CB-CB 4.4Å; F50-C348 HydrophobicContact CD2-CB 4.36Å
51A92.2Very high92.8Very high5 Ų535.5 Ų35.54%0.04119%0.189CC..BIsolated β-bridgetrans-138.1136170.700000108.5L21 K22 L25 N53 Y54L21-A51 HydrophobicContact CB-CB 4.48Å; L21-A51 HydrophobicContact CD2-CB 4.14Å; L21-A51 HydrophobicContact CG-CB 4.15Å; K22-A51 HydrophobicContact CB-CB 4.02Å; L25-A51 HydrophobicContact CD1-CB 3.82Å; A51-N53 PolarHBondContact O-N 3.07Å; A51-Y54 HydrophobicContact CB-CD2 4.18Å; A51-Y54 PolarHBondContact O-N 3.21Å; A51-Y54 VanDerWaalsContact O-O 3.09Å
52D90.7Very high92.7Very high92 Ų9240.1 Ų40.149%0.49221%0.211SC..THydrogen-bonded Turntrans-57.9139.2178.2-58.4-40.9000110.2K22 F50 Y54K22-D52 HydrophobicContact CD-CB 4.07Å; F50-D52 WeakPolarHBondContact CE1-OD1 3.45Å; D52-Y54 WeakPolarHBondContact O-CD2 3.35Å; D52-Y54 PolarHBondContact O-N 2.88Å
53N92.8Very high92.7Very high92 Ų9242.5 Ų42.549%0.49222%0.215SC..THydrogen-bonded Turntrans67.79.6-174-55.6-33.1000116.2A51 R75 N76A51-N53 PolarHBondContact O-N 3.07Å; N53-R75 CarbonylContact O-C 3.51Å; N53-R75 WeakPolarHBondContact O-CA 3.47Å; N53-N76 PolarHBondContact O-N 2.88Å
54Y95.6Very high92.6Very high5 Ų541.8 Ų41.82%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-129146.5174.7-66.6-91.1000112.5L25 D26 I33 A51 D52 F73 C74 R75L25-Y54 HydrophobicContact CB-CD1 4.38Å; L25-Y54 HydrophobicContact CB-CD2 4.19Å; L25-Y54 HydrophobicContact CB-CE1 3.91Å; L25-Y54 HydrophobicContact CB-CE2 3.72Å; L25-Y54 HydrophobicContact CB-CG 4.48Å; L25-Y54 HydrophobicContact CD1-CD1 4.08Å; L25-Y54 HydrophobicContact CD1-CD2 3.96Å; L25-Y54 HydrophobicContact CD1-CE1 4.44Å; L25-Y54 HydrophobicContact CD1-CE2 4.34Å; L25-Y54 HydrophobicContact CD1-CG 3.79Å; L25-Y54 PolarHBondContact O-OH 2.87Å; D26-Y54 WeakPolarHBondContact CA-OH 3.4Å; D26-Y54 PolarHBondContact N-OH 2.65Å; D26-Y54 PolarHBondContact OD1-OH 2.87Å; D26-Y54 VanDerWaalsContact OD1-OH 3.1Å; I33-Y54 HydrophobicContact CD1-CE1 3.76Å; A51-Y54 HydrophobicContact CB-CD2 4.18Å; A51-Y54 PolarHBondContact O-N 3.21Å; A51-Y54 VanDerWaalsContact O-O 3.09Å; D52-Y54 WeakPolarHBondContact O-CD2 3.35Å; D52-Y54 PolarHBondContact O-N 2.88Å; Y54-F73 HydrophobicContact CD1-CB 4.26Å; Y54-C74 CarbonylContact C-O 3.59Å; Y54-C74 VanDerWaalsContact CA-O 3.28Å; Y54-C74 WeakPolarHBondContact CA-O 3.39Å; Y54-R75 HydrophobicContact CD1-CB 4.03Å; Y54-R75 HydrophobicContact CE1-CB 3.76Å; Y54-R75 HydrophobicContact CE1-CG 4.12Å; Y54-R75 PolarHBondContact OH-NH1 3.2Å; Y54-R75 PolarHBondContact OH-NH2 3.14Å
55N95Very high92.4Very high8 Ų847 Ų474%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-115.3121.2175.1-54.4-71.2000109.3Y57 F73 C74 N76 F337N55-Y57 HydrophobicContact CB-CE2 4.27Å; N55-F73 WeakPolarHBondContact O-CA 3.37Å; N55-C74 PolarHBondContact N-O 3.47Å; N55-C74 PolarHBondContact O-N 3.05Å; N55-N76 PolarHBondContact ND2-OD1 3.26Å; N55-F337 HydrophobicContact CB-CD1 4.34Å; N55-F337 HydrophobicContact CB-CE1 4.08Å; N55-F337 VanDerWaalsContact ND2-CE1 3.34Å; N55-F337 WeakPolarHBondContact ND2-CE1 3.47Å; N55-F337 WeakPolarHBondContact OD1-CE1 3.42Å; N55-F337 WeakPolarHBondContact OD1-CZ 3.32Å
56G96.3Very high92.3Very high0 Ų046.9 Ų46.90%024%0.243CC..EExtended strand (participates in β ladder)trans-96.4143.5-176.400000113V72 S342G56-V72 CarbonylContact C-O 3.52Å; G56-V72 WeakPolarHBondContact CA-O 3.31Å; G56-S342 WeakPolarHBondContact CA-OG 3.45Å; G56-S342 PolarHBondContact N-OG 3.15Å; G56-S342 WeakPolarHBondContact O-CB 3.48Å; G56-S342 PolarHBondContact O-N 2.55Å; G56-S342 PolarHBondContact O-OG 3.06Å
57Y97.7Very high92.2Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-132.2140.3172.4-55.2-87.3000108.2N55 A71 V72 P80 T83 L129 L131 P338 C341N55-Y57 HydrophobicContact CB-CE2 4.27Å; Y57-A71 CarbonylContact O-C 3.53Å; Y57-A71 WeakPolarHBondContact O-CA 3.49Å; Y57-A71 WeakPolarHBondContact O-CB 3.47Å; Y57-V72 PolarHBondContact N-O 2.88Å; Y57-V72 PolarHBondContact O-N 2.57Å; Y57-P80 HydrophobicContact CE1-CG 4.19Å; Y57-P80 HydrophobicContact CE2-CG 3.74Å; Y57-P80 VanDerWaalsContact CZ-CG 3.48Å; Y57-P80 WeakPolarHBondContact OH-CD 3.43Å; Y57-P80 VanDerWaalsContact OH-CG 3.31Å; Y57-P80 WeakPolarHBondContact OH-CG 3.45Å; Y57-T83 HydrophobicContact CD1-CG2 3.47Å; Y57-T83 VanDerWaalsContact CD1-CG2 3.47Å; Y57-T83 HydrophobicContact CE1-CG2 3.66Å; Y57-T83 HydrophobicContact CG-CG2 4.09Å; Y57-L129 VanDerWaalsContact O-CD2 3.23Å; Y57-L129 WeakPolarHBondContact O-CD2 3.33Å; Y57-L131 HydrophobicContact CD2-CD1 4.41Å; Y57-L131 HydrophobicContact CD2-CD2 3.78Å; Y57-L131 HydrophobicContact CD2-CG 4.37Å; Y57-L131 HydrophobicContact CE2-CD2 4.01Å; Y57-L131 HydrophobicContact CG-CD1 4.38Å; Y57-L131 HydrophobicContact CG-CD2 4.49Å; Y57-P338 HydrophobicContact CE1-CB 4.19Å; Y57-P338 HydrophobicContact CE1-CG 4.16Å; Y57-C341 HydrophobicContact CD1-CB 4.32Å; Y57-C341 HydrophobicContact CE1-CB 3.67Å
58F97.3Very high92.4Very high7 Ų743.5 Ų43.53%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-135.7141.3-170.2-67.1-103.3000112.1L14 A49 H60 T70 A71 F73 H85 W345L14-F58 HydrophobicContact CD2-CE1 4.03Å; A49-F58 HydrophobicContact CB-CE2 4.38Å; A49-F58 HydrophobicContact CB-CZ 4.31Å; F58-H60 VanDerWaalsContact CB-NE2 3.34Å; F58-H60 WeakPolarHBondContact CB-NE2 3.29Å; F58-H60 AromaticContact CD1-CE1 3.92Å; F58-T70 WeakPolarHBondContact CA-O 3.31Å; F58-A71 HydrophobicContact CD1-CB 3.55Å; F58-A71 HydrophobicContact CE1-CB 3.61Å; F58-A71 HydrophobicContact CG-CB 4.08Å; F58-A71 HydrophobicContact CZ-CB 4.18Å; F58-F73 HydrophobicContact CE1-CZ 4.35Å; F58-F73 HydrophobicContact CE2-CE1 4.4Å; F58-F73 HydrophobicContact CE2-CZ 4.33Å; F58-F73 HydrophobicContact CZ-CE1 4.06Å; F58-F73 HydrophobicContact CZ-CE2 4.41Å; F58-F73 AromaticContact CZ-CZ 3.6Å; F58-F73 HydrophobicContact CZ-CZ 3.6Å; F58-H85 PolarHBondContact O-CE1 3.1Å; F58-H85 PolarHBondContact O-ND1 3.24Å; F58-W345 HydrophobicContact CB-CH2 3.84Å; F58-W345 HydrophobicContact CB-CZ2 4.06Å; F58-W345 HydrophobicContact CD1-CH2 4.31Å; F58-W345 AromaticContact CD2-CH2 3.24Å; F58-W345 HydrophobicContact CD2-CH2 3.24Å; F58-W345 AromaticContact CD2-CZ2 3.63Å; F58-W345 HydrophobicContact CD2-CZ2 3.63Å; F58-W345 HydrophobicContact CD2-CZ3 4.11Å; F58-W345 AromaticContact CE2-CH2 3.83Å; F58-W345 HydrophobicContact CE2-CH2 3.83Å; F58-W345 HydrophobicContact CE2-CZ2 4.44Å; F58-W345 HydrophobicContact CE2-CZ3 4.26Å; F58-W345 AromaticContact CG-CH2 3.54Å; F58-W345 HydrophobicContact CG-CH2 3.54Å; F58-W345 HydrophobicContact CG-CZ2 4.09Å
59S97.3Very high92.7Very high10 Ų1042.5 Ų42.57%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-120120.8162.5-1730000108.5G69 T70 H85 G126 V128S59-G69 CarbonylContact O-C 3.56Å; S59-G69 WeakPolarHBondContact O-CA 3.46Å; S59-T70 WeakPolarHBondContact CB-OG1 3.49Å; S59-T70 PolarHBondContact N-O 3.16Å; S59-T70 PolarHBondContact O-N 3.24Å; S59-H85 PolarHBondContact OG-O 2.89Å; S59-G126 WeakPolarHBondContact OG-CA 3.14Å; S59-V128 WeakPolarHBondContact CB-O 3.48Å; S59-V128 PolarHBondContact OG-O 3.35Å
60H95.9Very high93.1Very high24 Ų2442.5 Ų42.511%0.11122%0.222CC..EExtended strand (participates in β ladder)trans-106.5151.4-172.9-59-81.8000111T40 P42 F58 I62 G126 W345T40-H60 PolarHBondContact O-ND1 2.96Å; T40-H60 PolarHBondContact OG1-CE1 3.29Å; T40-H60 PolarHBondContact OG1-ND1 3.23Å; P42-H60 HydrophobicContact CG-CB 4.42Å; F58-H60 VanDerWaalsContact CB-NE2 3.34Å; F58-H60 WeakPolarHBondContact CB-NE2 3.29Å; F58-H60 AromaticContact CD1-CE1 3.92Å; H60-I62 PolarHBondContact O-N 3.25Å; H60-G126 WeakPolarHBondContact O-CA 3.21Å; H60-W345 AromaticContact NE2-CH2 3.77Å
61S95.6Very high93.5Very high8 Ų840.6 Ų40.66%0.05621%0.213CC..  trans-68.2130.6165.7-1750000110.6K64 A124S61-K64 WeakPolarHBondContact CB-O 3.44Å; S61-K64 PolarHBondContact OG-O 2.8Å; S61-A124 CarbonylContact C-O 3.52Å; S61-A124 WeakPolarHBondContact CA-O 3.43Å; S61-A124 PolarHBondContact OG-O 3.14Å
62I91.6Very high93.8Very high121 Ų12140.3 Ų40.362%0.62121%0.211SC*.SBendtrans-86.2-46.6-174.4-57.1174.1000110.7H60 A124H60-I62 PolarHBondContact O-N 3.25Å; I62-A124 PolarHBondContact N-O 3.29Å
63H88.5Confident94.1Very high135 Ų13536 Ų3663%0.62519%0.188SC*.SBendtrans-90.4-28-173.1-61.5-36.7000113.8A124H63-A124 WeakPolarHBondContact CD2-CB 3.39Å
64K88.4Confident94.3Very high108 Ų10831.6 Ų31.647%0.4717%0.165SC..SBendtrans-121.792.7-177.9-64.3-179.8-177.5169.30109.7S61 G66 Y67S61-K64 WeakPolarHBondContact CB-O 3.44Å; S61-K64 PolarHBondContact OG-O 2.8Å; K64-G66 PolarHBondContact O-N 2.87Å; K64-Y67 HydrophobicContact CB-CD1 4.24Å; K64-Y67 HydrophobicContact CB-CG 4.05Å; K64-Y67 HydrophobicContact CD-CD1 3.96Å; K64-Y67 HydrophobicContact CD-CE1 4.37Å; K64-Y67 HydrophobicContact CD-CG 4.08Å; K64-Y67 VanDerWaalsContact O-CB 3.29Å; K64-Y67 WeakPolarHBondContact O-CB 3.48Å; K64-Y67 PolarHBondContact O-N 2.92Å; K64-Y67 VanDerWaalsContact O-N 3.16Å
65T86.1Confident94.3Very high112 Ų11233.8 Ų33.869%0.68717%0.173SC*.THydrogen-bonded Turntrans-53.7128.6175.955.70000110.4T41 Y67T41-T65 HydrophobicContact CG2-CG2 3.92Å; T65-Y67 VanDerWaalsContact C-N 3.31Å; T65-Y67 PolarHBondContact O-N 2.86Å
66G85.8Confident94.2Very high36 Ų3636.7 Ų36.737%0.37119%0.188SC..THydrogen-bonded Turntrans73.214.1177.200000115.8K39 K64K39-G66 WeakPolarHBondContact CB-O 3.09Å; K39-G66 WeakPolarHBondContact CG-O 3.18Å; K39-G66 WeakPolarHBondContact O-CA 3.22Å; K64-G66 PolarHBondContact O-N 2.87Å
67Y88.3Confident93.9Very high89 Ų8937.9 Ų37.935%0.34920%0.196SC..THydrogen-bonded Turntrans-89-51.3-178.5177.9-119.9000113.8K64 T65 E125K64-Y67 HydrophobicContact CB-CD1 4.24Å; K64-Y67 HydrophobicContact CB-CG 4.05Å; K64-Y67 HydrophobicContact CD-CD1 3.96Å; K64-Y67 HydrophobicContact CD-CE1 4.37Å; K64-Y67 HydrophobicContact CD-CG 4.08Å; K64-Y67 VanDerWaalsContact O-CB 3.29Å; K64-Y67 WeakPolarHBondContact O-CB 3.48Å; K64-Y67 PolarHBondContact O-N 2.92Å; K64-Y67 VanDerWaalsContact O-N 3.16Å; T65-Y67 VanDerWaalsContact C-N 3.31Å; T65-Y67 PolarHBondContact O-N 2.86Å; Y67-E125 HydrophobicContact CD1-CG 4.47Å; Y67-E125 HydrophobicContact CE1-CG 4.33Å
68S95Very high93.7Very high0 Ų037.9 Ų37.90%020%0.196CC..  trans-146.7175-173.1173.50000108.5E125 Y156S68-E125 WeakPolarHBondContact CB-O 3.38Å; S68-E125 PolarHBondContact OG-O 2.79Å; S68-Y156 WeakPolarHBondContact OG-CD1 3.42Å
69G97.3Very high93.4Very high0 Ų038.1 Ų38.10%020%0.197CC..EExtended strand (participates in β ladder)trans154.115617600000110.8E37 T38 S59 G126E37-G69 PolarHBondContact N-O 3.48Å; T38-G69 PolarHBondContact N-O 2.9Å; T38-G69 WeakPolarHBondContact OG1-CA 3.15Å; S59-G69 CarbonylContact O-C 3.56Å; S59-G69 WeakPolarHBondContact O-CA 3.46Å; G69-G126 CarbonylContact C-O 3.57Å; G69-G126 WeakPolarHBondContact CA-O 3.31Å
70T98.3Very high93.3Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-126.7151.5177.550.40000109.7I35 Q36 F58 S59 G126 L129I35-T70 CarbonylContact O-C 3.57Å; I35-T70 VanDerWaalsContact O-CA 3.27Å; I35-T70 WeakPolarHBondContact O-CA 3.27Å; Q36-T70 HydrophobicContact CG-CG2 4.3Å; F58-T70 WeakPolarHBondContact CA-O 3.31Å; S59-T70 WeakPolarHBondContact CB-OG1 3.49Å; S59-T70 PolarHBondContact N-O 3.16Å; S59-T70 PolarHBondContact O-N 3.24Å; T70-G126 PolarHBondContact N-O 3Å; T70-G126 VanDerWaalsContact N-O 3.11Å; T70-G126 PolarHBondContact OG1-O 3.32Å; T70-L129 WeakPolarHBondContact OG1-CB 3.38Å
71A97.8Very high93.2Very high0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-140.5155.8170.900000110.4I35 T38 Y57 F58 F73I35-A71 HydrophobicContact CB-CB 4.3Å; I35-A71 PolarHBondContact N-O 3.25Å; I35-A71 PolarHBondContact O-N 2.78Å; T38-A71 HydrophobicContact CG2-CB 3.75Å; Y57-A71 CarbonylContact O-C 3.53Å; Y57-A71 WeakPolarHBondContact O-CA 3.49Å; Y57-A71 WeakPolarHBondContact O-CB 3.47Å; F58-A71 HydrophobicContact CD1-CB 3.55Å; F58-A71 HydrophobicContact CE1-CB 3.61Å; F58-A71 HydrophobicContact CG-CB 4.08Å; F58-A71 HydrophobicContact CZ-CB 4.18Å; A71-F73 HydrophobicContact CB-CE2 4.22Å
72V98.4Very high93.2Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-129.7130.8167.8-178.40000108.4I32 I33 G56 Y57 L129 L131I32-V72 HydrophobicContact CG2-CG1 3.75Å; I33-V72 CarbonylContact O-C 3.39Å; I33-V72 VanDerWaalsContact O-CA 3.28Å; I33-V72 WeakPolarHBondContact O-CA 3.34Å; G56-V72 CarbonylContact C-O 3.52Å; G56-V72 WeakPolarHBondContact CA-O 3.31Å; Y57-V72 PolarHBondContact N-O 2.88Å; Y57-V72 PolarHBondContact O-N 2.57Å; V72-L129 HydrophobicContact CB-CD2 4.16Å; V72-L129 HydrophobicContact CG2-CD2 3.81Å; V72-L129 HydrophobicContact CG2-CG 4.13Å; V72-L131 HydrophobicContact CB-CD1 3.93Å; V72-L131 HydrophobicContact CB-CD2 4.06Å; V72-L131 HydrophobicContact CG1-CD1 4.34Å; V72-L131 HydrophobicContact CG1-CD2 3.66Å; V72-L131 HydrophobicContact CG2-CD1 4.06Å
73F97.8Very high93.5Very high1 Ų138 Ų380%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-108.6125.8171.1-64.8-87.5000109.6L21 L25 I33 I35 Y54 N55 F58 A71L21-F73 HydrophobicContact CD2-CE1 3.91Å; L21-F73 HydrophobicContact CD2-CZ 3.88Å; L25-F73 HydrophobicContact CD1-CB 4.09Å; L25-F73 HydrophobicContact CD1-CD1 3.89Å; L25-F73 HydrophobicContact CD1-CD2 4.35Å; L25-F73 HydrophobicContact CD1-CE1 4.4Å; L25-F73 HydrophobicContact CD1-CG 3.86Å; L25-F73 HydrophobicContact CD2-CB 4.28Å; L25-F73 HydrophobicContact CD2-CD2 3.93Å; L25-F73 HydrophobicContact CD2-CE2 4.49Å; L25-F73 HydrophobicContact CD2-CG 4.14Å; I33-F73 HydrophobicContact CB-CB 4.36Å; I33-F73 PolarHBondContact N-O 2.78Å; I33-F73 PolarHBondContact O-N 2.77Å; I35-F73 HydrophobicContact CG1-CD2 4.12Å; I35-F73 HydrophobicContact CG1-CE2 4.22Å; Y54-F73 HydrophobicContact CD1-CB 4.26Å; N55-F73 WeakPolarHBondContact O-CA 3.37Å; F58-F73 HydrophobicContact CE1-CZ 4.35Å; F58-F73 HydrophobicContact CE2-CE1 4.4Å; F58-F73 HydrophobicContact CE2-CZ 4.33Å; F58-F73 HydrophobicContact CZ-CE1 4.06Å; F58-F73 HydrophobicContact CZ-CE2 4.41Å; F58-F73 AromaticContact CZ-CZ 3.6Å; F58-F73 HydrophobicContact CZ-CZ 3.6Å; A71-F73 HydrophobicContact CB-CE2 4.22Å
74C96.8Very high93.9Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-105.1125.2174.8-65.90000110.1D31 Y54 N55 L131D31-C74 CarbonylContact O-C 3.53Å; D31-C74 WeakPolarHBondContact O-CA 3.21Å; Y54-C74 CarbonylContact C-O 3.59Å; Y54-C74 VanDerWaalsContact CA-O 3.28Å; Y54-C74 WeakPolarHBondContact CA-O 3.39Å; N55-C74 PolarHBondContact N-O 3.47Å; N55-C74 PolarHBondContact O-N 3.05Å; C74-L131 WeakPolarHBondContact SG-CD2 3.44Å
75R95.3Very high94.3Very high51 Ų5127.8 Ų27.819%0.19215%0.15CC..EExtended strand (participates in β ladder)trans-70.2136.4172.7-169.7-171.8-70.2-83.88.7109.8D26 S30 D31 N53 Y54 L78D26-R75 IonicContact OD1-CZ 2.64Å; D26-R75 IonicContact OD1-NH1 3.67Å; D26-R75 PolarHBondContact OD1-NH1 3.32Å; D26-R75 IonicContact OD1-NH2 3.72Å; S30-R75 PolarHBondContact O-NE 2.8Å; S30-R75 PolarHBondContact O-NH2 3.04Å; D31-R75 HydrophobicContact CB-CB 4.41Å; D31-R75 PolarHBondContact O-N 3.35Å; N53-R75 CarbonylContact O-C 3.51Å; N53-R75 WeakPolarHBondContact O-CA 3.47Å; Y54-R75 HydrophobicContact CD1-CB 4.03Å; Y54-R75 HydrophobicContact CE1-CB 3.76Å; Y54-R75 HydrophobicContact CE1-CG 4.12Å; Y54-R75 PolarHBondContact OH-NH1 3.2Å; Y54-R75 PolarHBondContact OH-NH2 3.14Å; R75-L78 WeakPolarHBondContact O-CB 3.29Å; R75-L78 PolarHBondContact O-N 2.53Å
76N92.1Very high94.8Very high68 Ų6823.2 Ų23.236%0.36412%0.122SC..THydrogen-bonded Turntrans-58.2144.1170.8-74.4-14.9000111.2N53 N55N53-N76 PolarHBondContact O-N 2.88Å; N55-N76 PolarHBondContact ND2-OD1 3.26Å
77P91.3Very high95.4Very high26 Ų2621.5 Ų21.517%0.16911%0.105CC..THydrogen-bonded Turncis-83.2-93.236.1-35.6000113.7K79 Y327 L331 F333P77-K79 PolarHBondContact O-N 3.18Å; P77-Y327 HydrophobicContact CG-CD2 4.03Å; P77-Y327 HydrophobicContact CG-CE2 4.18Å; P77-L331 HydrophobicContact CB-CB 4.38Å; P77-L331 HydrophobicContact CG-CB 4.12Å; P77-F333 HydrophobicContact CB-CE2 3.99Å; P77-F333 WeakPolarHBondContact O-CE2 3.28Å
78L92.1Very high95.8Very high0 Ų018.4 Ų18.40%09%0.094CC..  trans-50.4124.9-171.1-65.3-175.6000113.4V4 D31 I32 R75 I137 F138 Y327V4-L78 HydrophobicContact CG1-CD1 4.05Å; D31-L78 HydrophobicContact CB-CD1 3.53Å; I32-L78 HydrophobicContact CG1-CD1 4.18Å; R75-L78 WeakPolarHBondContact O-CB 3.29Å; R75-L78 PolarHBondContact O-N 2.53Å; L78-I137 HydrophobicContact CD2-CG2 3.67Å; L78-F138 HydrophobicContact CD2-CE1 4.1Å; L78-Y327 HydrophobicContact CD1-CD1 4.44Å; L78-Y327 HydrophobicContact CD1-CE1 4.31Å; L78-Y327 HydrophobicContact CD2-CD1 3.97Å; L78-Y327 HydrophobicContact CD2-CD2 4.22Å; L78-Y327 HydrophobicContact CD2-CE1 4.49Å; L78-Y327 HydrophobicContact CD2-CG 3.78Å; L78-Y327 HydrophobicContact CG-CD1 4.36Å; L78-Y327 HydrophobicContact CG-CE1 4.39Å; L78-Y327 HydrophobicContact CG-CG 4.42Å
79K91.9Very high95.8Very high11 Ų1120.6 Ų20.65%0.04811%0.106CC..  trans-137.3118-175.7-169.9174.478.5-161.10111.7P77 I137 F333 Y335 S336 F337P77-K79 PolarHBondContact O-N 3.18Å; K79-I137 VanDerWaalsContact O-CD1 3.27Å; K79-I137 WeakPolarHBondContact O-CD1 3.24Å; K79-F333 HydrophobicContact CB-CD2 4.03Å; K79-F333 HydrophobicContact CB-CE2 4.24Å; K79-F333 HydrophobicContact CB-CG 4.5Å; K79-Y335 HydrophobicContact CB-CE2 4.5Å; K79-Y335 HydrophobicContact CD-CD2 4.48Å; K79-Y335 HydrophobicContact CD-CE2 4.14Å; K79-Y335 HydrophobicContact CG-CE2 4.11Å; K79-Y335 PolarHBondContact NZ-O 2.93Å; K79-Y335 PolarHBondContact O-OH 3.46Å; K79-S336 VanDerWaalsContact CE-O 3.3Å; K79-S336 WeakPolarHBondContact CE-O 3.37Å; K79-F337 HydrophobicContact CB-CE1 4.35Å; K79-F337 HydrophobicContact CD-CB 4.49Å; K79-F337 HydrophobicContact CD-CD1 3.34Å; K79-F337 HydrophobicContact CD-CE1 3.45Å; K79-F337 VanDerWaalsContact CD-CE1 3.45Å; K79-F337 HydrophobicContact CD-CG 3.88Å; K79-F337 HydrophobicContact CD-CZ 4.13Å; K79-F337 HydrophobicContact CG-CD1 3.47Å; K79-F337 VanDerWaalsContact CG-CD1 3.47Å; K79-F337 HydrophobicContact CG-CE1 3.65Å; K79-F337 HydrophobicContact CG-CG 4.39Å
80P95.3Very high95.7Very high0 Ų020.7 Ų20.70%011%0.106CC..  trans-64.9147.5174.128.7-35.8000111.2Y57 T83 L131 Q132 F133 P338Y57-P80 HydrophobicContact CE1-CG 4.19Å; Y57-P80 HydrophobicContact CE2-CG 3.74Å; Y57-P80 VanDerWaalsContact CZ-CG 3.48Å; Y57-P80 WeakPolarHBondContact OH-CD 3.43Å; Y57-P80 VanDerWaalsContact OH-CG 3.31Å; Y57-P80 WeakPolarHBondContact OH-CG 3.45Å; P80-T83 HydrophobicContact CG-CG2 4.27Å; P80-L131 HydrophobicContact CB-CB 4.03Å; P80-L131 HydrophobicContact CB-CD2 4.17Å; P80-L131 HydrophobicContact CB-CG 4.02Å; P80-L131 HydrophobicContact CG-CD2 3.83Å; P80-L131 HydrophobicContact CG-CG 4.01Å; P80-Q132 CarbonylContact C-O 3.6Å; P80-Q132 WeakPolarHBondContact CA-O 3.3Å; P80-Q132 VanDerWaalsContact CB-O 3.23Å; P80-Q132 WeakPolarHBondContact CB-O 3.37Å; P80-F133 HydrophobicContact CB-CD1 4.32Å; P80-F133 HydrophobicContact CB-CE1 4.07Å; P80-F133 HydrophobicContact CB-CZ 4.22Å; P80-P338 HydrophobicContact CG-CG 4.07Å; P80-P338 VanDerWaalsContact O-CD 3.31Å; P80-P338 WeakPolarHBondContact O-CD 3.32Å; P80-P338 VanDerWaalsContact O-CG 3.24Å; P80-P338 WeakPolarHBondContact O-CG 3.48Å
81T94.1Very high95.5Very high51 Ų5120.7 Ų20.731%0.31311%0.106SC..SBendtrans-82.4-34.117248.40000112.1Q132 Y335T81-Q132 PolarHBondContact N-O 2.8Å; T81-Q132 PolarHBondContact OG1-O 2.84Å; T81-Y335 HydrophobicContact CG2-CD2 4.39Å; T81-Y335 HydrophobicContact CG2-CE1 4.26Å; T81-Y335 HydrophobicContact CG2-CE2 3.71Å
82K95.1Very high95.2Very high89 Ų8922.3 Ų22.339%0.38712%0.116SC..EExtended strand (participates in β ladder)trans-138156.7177.6-60.6-173.4-174.2174.10111.6F84 E93 Q132K82-F84 HydrophobicContact CB-CZ 4.25Å; K82-E93 IonicContact NZ-OE1 3.71Å; K82-E93 PolarHBondContact NZ-OE1 3.45Å; K82-E93 IonicContact NZ-OE2 2.88Å; K82-Q132 HydrophobicContact CB-CB 4.13Å; K82-Q132 PolarHBondContact N-O 3.09Å; K82-Q132 PolarHBondContact O-N 2.85Å
83T97.6Very high94.7Very high22 Ų2225.7 Ų25.714%0.13513%0.132CC..EExtended strand (participates in β ladder)trans-136.8132.6179.151.50000110.3Y57 P80 H85 G130 L131 P338Y57-T83 HydrophobicContact CD1-CG2 3.47Å; Y57-T83 VanDerWaalsContact CD1-CG2 3.47Å; Y57-T83 HydrophobicContact CE1-CG2 3.66Å; Y57-T83 HydrophobicContact CG-CG2 4.09Å; P80-T83 HydrophobicContact CG-CG2 4.27Å; T83-H85 WeakPolarHBondContact CB-NE2 3.47Å; T83-H85 PolarHBondContact OG1-NE2 3.13Å; T83-G130 CarbonylContact C-O 3.58Å; T83-G130 WeakPolarHBondContact CA-O 3.49Å; T83-L131 HydrophobicContact CG2-CD1 4.27Å; T83-L131 HydrophobicContact CG2-CG 4.09Å; T83-P338 HydrophobicContact CG2-CB 3.8Å; T83-P338 HydrophobicContact CG2-CG 3.89Å
84F97.5Very high94.1Very high7 Ų726.6 Ų26.63%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-113.9117.6179.2-45.2-75.7000109.1K82 D89 I90 E93 L129 G130 Q132 I151K82-F84 HydrophobicContact CB-CZ 4.25Å; F84-D89 HydrophobicContact CB-CB 3.89Å; F84-D89 HydrophobicContact CD1-CB 4.28Å; F84-I90 HydrophobicContact CB-CD1 4.46Å; F84-I90 HydrophobicContact CB-CG1 3.55Å; F84-I90 HydrophobicContact CD2-CG1 4.37Å; F84-I90 HydrophobicContact CG-CG1 3.91Å; F84-E93 HydrophobicContact CD1-CB 4.35Å; F84-E93 HydrophobicContact CE1-CB 3.66Å; F84-E93 HydrophobicContact CE1-CG 3.62Å; F84-E93 HydrophobicContact CZ-CB 4.44Å; F84-E93 HydrophobicContact CZ-CG 3.99Å; F84-L129 CarbonylContact O-C 3.53Å; F84-L129 WeakPolarHBondContact O-CA 3.33Å; F84-L129 WeakPolarHBondContact O-CD1 3.34Å; F84-G130 PolarHBondContact N-O 3.22Å; F84-G130 PolarHBondContact O-N 3.27Å; F84-Q132 HydrophobicContact CE2-CB 4.07Å; F84-Q132 HydrophobicContact CZ-CB 4.41Å; F84-I151 HydrophobicContact CE2-CD1 4.27Å
85H97Very high93.2Very high20 Ų2027.2 Ų27.29%0.09314%0.142CC..  trans-102.35.1-172.7-64.7-105.6000113F58 S59 T83 D89 V128 K340F58-H85 PolarHBondContact O-CE1 3.1Å; F58-H85 PolarHBondContact O-ND1 3.24Å; S59-H85 PolarHBondContact OG-O 2.89Å; T83-H85 WeakPolarHBondContact CB-NE2 3.47Å; T83-H85 PolarHBondContact OG1-NE2 3.13Å; H85-D89 PolarHBondContact N-OD2 3.47Å; H85-V128 CarbonylContact C-O 3.45Å; H85-K340 WeakPolarHBondContact CD2-CD 3.28Å; H85-K340 WeakPolarHBondContact NE2-CB 3.32Å; H85-K340 VanDerWaalsContact NE2-CD 3.3Å; H85-K340 WeakPolarHBondContact NE2-CD 3.33Å
86S97Very high91.8Very high16 Ų1628.3 Ų28.311%0.11216%0.157CC..SBendtrans-158.1163.9-175.974.20000111N88 D89 I90 D123S86-N88 PolarHBondContact O-N 3.13Å; S86-N88 PolarHBondContact OG-N 3.35Å; S86-D89 PolarHBondContact O-N 3.13Å; S86-D89 PolarHBondContact OG-N 2.78Å; S86-D89 PolarHBondContact OG-OD1 2.94Å; S86-I90 PolarHBondContact O-N 2.94Å; S86-D123 WeakPolarHBondContact CB-OD1 2.87Å
87L97.3Very high90.1Very high1 Ų129.3 Ų29.31%0.00517%0.168CC..Hα-helixtrans-58.9-39.7168.1-64.5164.7000110.4D89 I90 L91 L108 L122 D123 V128 F174 A177 V178L87-D89 PolarHBondContact O-N 3.06Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 2.87Å; L87-L108 HydrophobicContact CB-CD1 4.48Å; L87-L122 HydrophobicContact CD1-CB 3.79Å; L87-D123 VanDerWaalsContact CB-OD1 3.32Å; L87-D123 WeakPolarHBondContact CB-OD1 3.43Å; L87-D123 WeakPolarHBondContact CG-OD1 3.17Å; L87-D123 PolarHBondContact N-OD1 2.86Å; L87-V128 HydrophobicContact CD2-CG2 3.91Å; L87-V128 HydrophobicContact CG-CG2 4.15Å; L87-F174 HydrophobicContact CD1-CD2 4.36Å; L87-F174 HydrophobicContact CD1-CE2 4.27Å; L87-A177 HydrophobicContact CD1-CB 3.94Å; L87-V178 HydrophobicContact CD2-CG2 3.85Å
88N96.2Very high88.5Confident24 Ų2434 Ų3413%0.12819%0.188CC..Hα-helixtrans-60.2-44.8175.6178.678.5000112.6S86 I90 L91 V92 G104 W105 D123S86-N88 PolarHBondContact O-N 3.13Å; S86-N88 PolarHBondContact OG-N 3.35Å; N88-I90 VanDerWaalsContact C-N 3.28Å; N88-I90 PolarHBondContact O-N 3.05Å; N88-L91 PolarHBondContact O-N 2.9Å; N88-V92 WeakPolarHBondContact O-CB 3.32Å; N88-V92 VanDerWaalsContact O-CG2 3.27Å; N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 2.98Å; N88-G104 VanDerWaalsContact OD1-CA 3.29Å; N88-G104 WeakPolarHBondContact OD1-CA 3.29Å; N88-G104 PolarHBondContact OD1-N 2.94Å; N88-W105 HydrophobicContact CB-CD2 4.22Å; N88-W105 HydrophobicContact CB-CG 4.36Å; N88-W105 HydrophobicContact CB-CZ2 4.16Å; N88-W105 PolarHBondContact OD1-N 3.24Å; N88-D123 PolarHBondContact N-OD2 3.49Å
89D95.3Very high86.7Confident46 Ų4639.4 Ų39.425%0.24622%0.217CC..Hα-helixtrans-58.5-42.6179.1-66.67.1000110.6F84 H85 S86 L87 E93F84-D89 HydrophobicContact CB-CB 3.89Å; F84-D89 HydrophobicContact CD1-CB 4.28Å; H85-D89 PolarHBondContact N-OD2 3.47Å; S86-D89 PolarHBondContact O-N 3.13Å; S86-D89 PolarHBondContact OG-N 2.78Å; S86-D89 PolarHBondContact OG-OD1 2.94Å; L87-D89 PolarHBondContact O-N 3.06Å; D89-E93 WeakPolarHBondContact O-CB 3.05Å; D89-E93 PolarHBondContact O-N 3.45Å
90I95.4Very high85.1Confident1 Ų147.1 Ų47.11%0.00526%0.259CS..Hα-helixtrans-65.3-45.3178.2-64171.9000111.4F84 S86 L87 N88 S94 V128 L153 C181 L185F84-I90 HydrophobicContact CB-CD1 4.46Å; F84-I90 HydrophobicContact CB-CG1 3.55Å; F84-I90 HydrophobicContact CD2-CG1 4.37Å; F84-I90 HydrophobicContact CG-CG1 3.91Å; S86-I90 PolarHBondContact O-N 2.94Å; L87-I90 PolarHBondContact O-N 3.01Å; N88-I90 VanDerWaalsContact C-N 3.28Å; N88-I90 PolarHBondContact O-N 3.05Å; I90-S94 PolarHBondContact O-N 2.89Å; I90-S94 VanDerWaalsContact O-N 3.08Å; I90-S94 PolarHBondContact O-OG 3.45Å; I90-V128 HydrophobicContact CD1-CG1 3.68Å; I90-L153 HydrophobicContact CD1-CD2 3.96Å; I90-C181 HydrophobicContact CB-CB 4.44Å; I90-C181 HydrophobicContact CG2-CB 3.75Å; I90-L185 HydrophobicContact CG2-CD1 3.67Å; I90-L185 HydrophobicContact CG2-CD2 3.81Å; I90-L185 HydrophobicContact CG2-CG 3.67Å
91L94.3Very high83.4Confident0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-71.3-39.1-177.4-70.8170.1000112.1L87 N88 E93 S94 I95 F107 L108L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 2.87Å; N88-L91 PolarHBondContact O-N 2.9Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 2.69Å; L91-S94 WeakPolarHBondContact CA-OG 3.09Å; L91-S94 PolarHBondContact O-N 3.01Å; L91-S94 PolarHBondContact O-OG 3.35Å; L91-I95 HydrophobicContact CB-CD1 3.9Å; L91-I95 HydrophobicContact CD2-CD1 4.23Å; L91-I95 WeakPolarHBondContact O-CB 3.42Å; L91-I95 VanDerWaalsContact O-CD1 3.32Å; L91-I95 WeakPolarHBondContact O-CD1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.08Å; L91-I95 PolarHBondContact O-N 2.75Å; L91-F107 HydrophobicContact CD1-CD1 4.16Å; L91-F107 HydrophobicContact CD2-CD1 3.99Å; L91-F107 HydrophobicContact CD2-CE1 3.97Å; L91-L108 HydrophobicContact CD1-CD1 3.84Å; L91-L108 HydrophobicContact CD1-CD2 3.66Å; L91-L108 HydrophobicContact CD1-CG 3.47Å; L91-L108 VanDerWaalsContact CD1-CG 3.47Å
92V92.5Very high82.6Confident34 Ų3453.5 Ų53.521%0.20629%0.294CS..Hα-helixtrans-62-44.1176170.60000110.6N88 S96 I102N88-V92 WeakPolarHBondContact O-CB 3.32Å; N88-V92 VanDerWaalsContact O-CG2 3.27Å; N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 2.98Å; V92-S96 WeakPolarHBondContact O-CB 3.3Å; V92-S96 PolarHBondContact O-N 3.15Å; V92-I102 HydrophobicContact CG1-CG2 3.82Å; V92-I102 VanDerWaalsContact CG2-O 3.29Å; V92-I102 WeakPolarHBondContact CG2-O 3.17Å
93E88.3Confident82.3Confident71 Ų7152 Ų5233%0.33229%0.29SS..Hα-helixtrans-60.8-47.3176.8-176.370.1-163.100111.8K82 F84 D89 L91K82-E93 IonicContact NZ-OE1 3.71Å; K82-E93 PolarHBondContact NZ-OE1 3.45Å; K82-E93 IonicContact NZ-OE2 2.88Å; F84-E93 HydrophobicContact CD1-CB 4.35Å; F84-E93 HydrophobicContact CE1-CB 3.66Å; F84-E93 HydrophobicContact CE1-CG 3.62Å; F84-E93 HydrophobicContact CZ-CB 4.44Å; F84-E93 HydrophobicContact CZ-CG 3.99Å; D89-E93 WeakPolarHBondContact O-CB 3.05Å; D89-E93 PolarHBondContact O-N 3.45Å; L91-E93 VanDerWaalsContact C-N 3.33Å; L91-E93 PolarHBondContact O-N 2.69Å
94S84.2Confident82.1Confident20 Ų2050.9 Ų50.914%0.1428%0.283CS..Hα-helixtrans-77.9-30.2-175.254.30000114.3I90 L91 S184I90-S94 PolarHBondContact O-N 2.89Å; I90-S94 VanDerWaalsContact O-N 3.08Å; I90-S94 PolarHBondContact O-OG 3.45Å; L91-S94 WeakPolarHBondContact CA-OG 3.09Å; L91-S94 PolarHBondContact O-N 3.01Å; L91-S94 PolarHBondContact O-OG 3.35Å; S94-S184 WeakPolarHBondContact OG-CB 3.47Å
95I76.8Confident81.9Confident13 Ų1353.6 Ų53.67%0.06729%0.293CS..Hα-helixtrans-88-29.1-178.3-61.4163.1000112L91 C97 Q98 N99 F107L91-I95 HydrophobicContact CB-CD1 3.9Å; L91-I95 HydrophobicContact CD2-CD1 4.23Å; L91-I95 WeakPolarHBondContact O-CB 3.42Å; L91-I95 VanDerWaalsContact O-CD1 3.32Å; L91-I95 WeakPolarHBondContact O-CD1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.08Å; L91-I95 PolarHBondContact O-N 2.75Å; I95-C97 PolarHBondContact O-N 2.83Å; I95-Q98 PolarHBondContact O-N 3.44Å; I95-N99 PolarHBondContact O-N 3.06Å; I95-F107 HydrophobicContact CD1-CB 3.56Å; I95-F107 HydrophobicContact CD1-CD1 3.84Å; I95-F107 HydrophobicContact CD1-CD2 3.37Å; I95-F107 HydrophobicContact CD1-CE1 4.33Å; I95-F107 HydrophobicContact CD1-CE2 3.92Å; I95-F107 HydrophobicContact CD1-CG 3.32Å; I95-F107 HydrophobicContact CD1-CZ 4.36Å; I95-F107 HydrophobicContact CG1-CD2 4.22Å; I95-F107 HydrophobicContact CG1-CE2 4.41Å
96S65.9Low81.8Confident74 Ų7453.6 Ų53.652%0.51730%0.298SS..THydrogen-bonded Turntrans-57.5-23.4176-174.40000112.2V92 Q98V92-S96 WeakPolarHBondContact O-CB 3.3Å; V92-S96 PolarHBondContact O-N 3.15Å; S96-Q98 VanDerWaalsContact C-N 3.34Å
97C56.5Low81.6Confident89 Ų8954 Ų5460%0.60130%0.298SS*.THydrogen-bonded Turntrans-75.4-17.3172.7-63.20000113.9I95I95-C97 PolarHBondContact O-N 2.83Å
98Q57.8Low81.6Confident126 Ų12654 Ų5459%0.58930%0.298SS*.THydrogen-bonded Turntrans-118.2-31.5-171.1-64.2-162.7-9.600115.4I95 S96I95-Q98 PolarHBondContact O-N 3.44Å; S96-Q98 VanDerWaalsContact C-N 3.34Å
99N55.8Low81.5Confident113 Ų11357.9 Ų57.960%0.60431%0.314SS*.SBendtrans-152.2139.3-179.6-78.9-62.3000109.8I95 S101I95-N99 PolarHBondContact O-N 3.06Å; N99-S101 PolarHBondContact O-N 3.07Å
100N58.6Low81.5Confident172 Ų17263.3 Ų63.392%0.9233%0.331SS*.SBendtrans-57.310.7-179.1-74.1-15.6000116.4
101S59.1Low81.5Confident53 Ų5368.9 Ų68.937%0.37136%0.355SS..  trans-88.6112.8175.5170.80000110.9N99 D103N99-S101 PolarHBondContact O-N 3.07Å; S101-D103 VanDerWaalsContact C-N 3.25Å; S101-D103 PolarHBondContact O-N 2.77Å
102I77Confident81.5Confident133 Ų13370.6 Ų70.668%0.68236%0.364SS*.  trans-89.720-179.3-45.4168.9000111.4V92V92-I102 HydrophobicContact CG1-CG2 3.82Å; V92-I102 VanDerWaalsContact CG2-O 3.29Å; V92-I102 WeakPolarHBondContact CG2-O 3.17Å
103D87.8Confident81.7Confident56 Ų5676.4 Ų76.430%0.29939%0.394SS..  trans-119.899-174.5-175.28.4000112S101 W105 G106 F107 H116S101-D103 VanDerWaalsContact C-N 3.25Å; S101-D103 PolarHBondContact O-N 2.77Å; D103-W105 VanDerWaalsContact C-N 3.35Å; D103-W105 WeakPolarHBondContact OD1-CB 3.34Å; D103-W105 PolarHBondContact OD1-N 3Å; D103-W105 VanDerWaalsContact OD1-N 3.11Å; D103-G106 PolarHBondContact O-N 2.77Å; D103-G106 PolarHBondContact OD1-N 2.89Å; D103-G106 PolarHBondContact OD2-N 3.13Å; D103-F107 PolarHBondContact O-N 2.92Å; D103-F107 VanDerWaalsContact O-N 3.08Å; D103-H116 IonicContact OD1-CE1 2.71Å; D103-H116 IonicContact OD2-CE1 3.7Å; D103-H116 PolarHBondContact OD2-CE1 3.08Å; D103-H116 VanDerWaalsContact OD2-CE1 3.31Å
104G93.1Very high82.2Confident0 Ų074 Ų740%038%0.383CS..Hα-helixtrans-65.2-35.9176.500000112.6N88 F107 L108N88-G104 VanDerWaalsContact OD1-CA 3.29Å; N88-G104 WeakPolarHBondContact OD1-CA 3.29Å; N88-G104 PolarHBondContact OD1-N 2.94Å; G104-F107 WeakPolarHBondContact O-CB 3.36Å; G104-F107 PolarHBondContact O-N 2.9Å; G104-L108 PolarHBondContact O-N 3.21Å
105W94.9Very high82.8Confident64 Ų6475.3 Ų75.324%0.24239%0.392CS..Hα-helixtrans-67.5-38.7174-61.7-45000111.9N88 D103 F107 L108 K109 A119 R120 D123N88-W105 HydrophobicContact CB-CD2 4.22Å; N88-W105 HydrophobicContact CB-CG 4.36Å; N88-W105 HydrophobicContact CB-CZ2 4.16Å; N88-W105 PolarHBondContact OD1-N 3.24Å; D103-W105 VanDerWaalsContact C-N 3.35Å; D103-W105 WeakPolarHBondContact OD1-CB 3.34Å; D103-W105 PolarHBondContact OD1-N 3Å; D103-W105 VanDerWaalsContact OD1-N 3.11Å; W105-F107 VanDerWaalsContact C-N 3.26Å; W105-F107 PolarHBondContact O-N 2.87Å; W105-L108 PolarHBondContact O-N 2.9Å; W105-K109 VanDerWaalsContact O-CB 3.3Å; W105-K109 WeakPolarHBondContact O-CB 3.49Å; W105-K109 PolarHBondContact O-N 2.78Å; W105-A119 HydrophobicContact CB-CB 4.03Å; W105-A119 HydrophobicContact CG-CB 4.48Å; W105-R120 HydrophobicContact CD2-CG 3.48Å; W105-R120 VanDerWaalsContact CD2-CG 3.48Å; W105-R120 HydrophobicContact CE3-CG 3.68Å; W105-R120 HydrophobicContact CG-CG 3.9Å; W105-R120 HydrophobicContact CH2-CG 4.21Å; W105-R120 HydrophobicContact CZ2-CG 4.06Å; W105-R120 HydrophobicContact CZ3-CG 4.04Å; W105-D123 PolarHBondContact NE1-OD2 3.48Å
106G94.1Very high83.7Confident19 Ų1977.1 Ų77.120%0.19640%0.4CS..Hα-helixtrans-60.2-36.5172.700000112.7D103 R110D103-G106 PolarHBondContact O-N 2.77Å; D103-G106 PolarHBondContact OD1-N 2.89Å; D103-G106 PolarHBondContact OD2-N 3.13Å; G106-R110 PolarHBondContact O-N 3.21Å
107F93.7Very high85.1Confident25 Ų2577.9 Ų77.911%0.1140%0.402CS..Hα-helixtrans-64.3-50.4171.5177.4-90.4000112.3L91 I95 D103 G104 W105 K109 R110 K111 L180L91-F107 HydrophobicContact CD1-CD1 4.16Å; L91-F107 HydrophobicContact CD2-CD1 3.99Å; L91-F107 HydrophobicContact CD2-CE1 3.97Å; I95-F107 HydrophobicContact CD1-CB 3.56Å; I95-F107 HydrophobicContact CD1-CD1 3.84Å; I95-F107 HydrophobicContact CD1-CD2 3.37Å; I95-F107 HydrophobicContact CD1-CE1 4.33Å; I95-F107 HydrophobicContact CD1-CE2 3.92Å; I95-F107 HydrophobicContact CD1-CG 3.32Å; I95-F107 HydrophobicContact CD1-CZ 4.36Å; I95-F107 HydrophobicContact CG1-CD2 4.22Å; I95-F107 HydrophobicContact CG1-CE2 4.41Å; D103-F107 PolarHBondContact O-N 2.92Å; D103-F107 VanDerWaalsContact O-N 3.08Å; G104-F107 WeakPolarHBondContact O-CB 3.36Å; G104-F107 PolarHBondContact O-N 2.9Å; W105-F107 VanDerWaalsContact C-N 3.26Å; W105-F107 PolarHBondContact O-N 2.87Å; F107-K109 PolarHBondContact O-N 3.48Å; F107-R110 PolarHBondContact O-N 3.06Å; F107-K111 HydrophobicContact CD1-CG 4.14Å; F107-K111 HydrophobicContact CD2-CG 4.35Å; F107-K111 HydrophobicContact CE1-CB 4.46Å; F107-K111 HydrophobicContact CE1-CG 3.77Å; F107-K111 HydrophobicContact CE2-CG 4Å; F107-K111 HydrophobicContact CG-CG 4.42Å; F107-K111 HydrophobicContact CZ-CD 4.33Å; F107-K111 HydrophobicContact CZ-CG 3.69Å; F107-K111 WeakPolarHBondContact O-CB 3.31Å; F107-K111 PolarHBondContact O-N 3.37Å; F107-L180 HydrophobicContact CE1-CB 4.18Å; F107-L180 HydrophobicContact CE1-CD1 4.13Å; F107-L180 HydrophobicContact CE1-CD2 4.28Å; F107-L180 HydrophobicContact CE1-CG 4.44Å
108L95.5Very high87Confident0 Ų077.3 Ų77.30%039%0.391CS..Hα-helixtrans-60.2-44.6177.9-70.8178.6000112.2L87 L91 G104 W105 R110 K111 L112 A119 L122 A177 L180L87-L108 HydrophobicContact CB-CD1 4.48Å; L91-L108 HydrophobicContact CD1-CD1 3.84Å; L91-L108 HydrophobicContact CD1-CD2 3.66Å; L91-L108 HydrophobicContact CD1-CG 3.47Å; L91-L108 VanDerWaalsContact CD1-CG 3.47Å; G104-L108 PolarHBondContact O-N 3.21Å; W105-L108 PolarHBondContact O-N 2.9Å; L108-R110 VanDerWaalsContact C-N 3.26Å; L108-R110 PolarHBondContact O-N 2.89Å; L108-K111 PolarHBondContact O-N 2.86Å; L108-L112 HydrophobicContact CD2-CD1 4.14Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 PolarHBondContact O-N 2.88Å; L108-A119 HydrophobicContact CB-CB 4.14Å; L108-L122 HydrophobicContact CD1-CD1 4.45Å; L108-A177 HydrophobicContact CD1-CB 4.06Å; L108-A177 HydrophobicContact CD2-CB 3.71Å; L108-L180 HydrophobicContact CD2-CD1 3.81Å
109K95.5Very high88.9Confident107 Ų10771.3 Ų71.347%0.46536%0.363SS..Hα-helixtrans-48.5-49.9175.4-175.2-157.4171.5-171.30111.2W105 F107 N113 I114W105-K109 VanDerWaalsContact O-CB 3.3Å; W105-K109 WeakPolarHBondContact O-CB 3.49Å; W105-K109 PolarHBondContact O-N 2.78Å; F107-K109 PolarHBondContact O-N 3.48Å; K109-N113 VanDerWaalsContact O-CA 3.28Å; K109-N113 WeakPolarHBondContact O-CA 3.21Å; K109-N113 PolarHBondContact O-N 3.45Å; K109-I114 WeakPolarHBondContact CG-O 3.39Å; K109-I114 PolarHBondContact O-N 2.78Å; K109-I114 VanDerWaalsContact O-N 3.12Å
110R94.8Very high90.8Very high159 Ų15971.9 Ų71.960%0.636%0.356SS*.Hα-helixtrans-72.7-44.6-179.1174.4172.344.6934.1112.6G106 F107 L108G106-R110 PolarHBondContact O-N 3.21Å; F107-R110 PolarHBondContact O-N 3.06Å; L108-R110 VanDerWaalsContact C-N 3.26Å; L108-R110 PolarHBondContact O-N 2.89Å
111K94.6Very high92.6Very high118 Ų11866.9 Ų66.951%0.51333%0.33SS..Hα-helixtrans-72.4-33.3-176.1-75.3-68.5-171.8171.50113.4F107 L108 L180F107-K111 HydrophobicContact CD1-CG 4.14Å; F107-K111 HydrophobicContact CD2-CG 4.35Å; F107-K111 HydrophobicContact CE1-CB 4.46Å; F107-K111 HydrophobicContact CE1-CG 3.77Å; F107-K111 HydrophobicContact CE2-CG 4Å; F107-K111 HydrophobicContact CG-CG 4.42Å; F107-K111 HydrophobicContact CZ-CD 4.33Å; F107-K111 HydrophobicContact CZ-CG 3.69Å; F107-K111 WeakPolarHBondContact O-CB 3.31Å; F107-K111 PolarHBondContact O-N 3.37Å; L108-K111 PolarHBondContact O-N 2.86Å; K111-L180 HydrophobicContact CB-CD1 3.71Å; K111-L180 HydrophobicContact CG-CD1 4.37Å
112L96Very high94.4Very high37 Ų3764.4 Ų64.419%0.19431%0.312CS..Hα-helixtrans-101.8-1.9-178.3-55.3-177.1000113.2L108 I114 S176 A177 L180L108-L112 HydrophobicContact CD2-CD1 4.14Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 PolarHBondContact O-N 2.88Å; L112-I114 VanDerWaalsContact C-N 3.35Å; L112-I114 HydrophobicContact CB-CD1 4.19Å; L112-I114 HydrophobicContact CB-CG1 4.17Å; L112-I114 HydrophobicContact CB-CG2 4.18Å; L112-I114 HydrophobicContact CD1-CD1 4.25Å; L112-I114 PolarHBondContact O-N 3.42Å; L112-S176 VanDerWaalsContact CD2-CB 3.5Å; L112-A177 HydrophobicContact CD1-CB 4.1Å; L112-L180 HydrophobicContact CD2-CD1 3.81Å; L112-L180 HydrophobicContact CG-CD1 4.12Å
113N96.9Very high95.4Very high155 Ų15558.8 Ų58.883%0.82928%0.284SS*.THydrogen-bonded Turntrans51.849.6-176-169.241000113.1K109K109-N113 VanDerWaalsContact O-CA 3.28Å; K109-N113 WeakPolarHBondContact O-CA 3.21Å; K109-N113 PolarHBondContact O-N 3.45Å
114I97.2Very high95.8Very high20 Ų2056.5 Ų56.510%0.10327%0.272CS..  trans-118169.8179.961178.9000111.1K109 L112 E118 A119 L122 L173K109-I114 WeakPolarHBondContact CG-O 3.39Å; K109-I114 PolarHBondContact O-N 2.78Å; K109-I114 VanDerWaalsContact O-N 3.12Å; L112-I114 VanDerWaalsContact C-N 3.35Å; L112-I114 HydrophobicContact CB-CD1 4.19Å; L112-I114 HydrophobicContact CB-CG1 4.17Å; L112-I114 HydrophobicContact CB-CG2 4.18Å; L112-I114 HydrophobicContact CD1-CD1 4.25Å; L112-I114 PolarHBondContact O-N 3.42Å; I114-E118 HydrophobicContact CB-CB 4.09Å; I114-E118 HydrophobicContact CD1-CB 4.16Å; I114-E118 HydrophobicContact CG1-CB 4.41Å; I114-A119 HydrophobicContact CD1-CB 4Å; I114-A119 HydrophobicContact CG1-CB 4.48Å; I114-L122 HydrophobicContact CD1-CD1 4.49Å; I114-L173 HydrophobicContact CG2-CD1 4.06Å; I114-L173 HydrophobicContact CG2-CD2 3.62Å
115S96.9Very high96Very high48 Ų4857.1 Ų57.134%0.33628%0.275SS..  trans-72.6158.9170.969.90000112.2T117 E118 A119S115-T117 PolarHBondContact O-N 3.21Å; S115-E118 VanDerWaalsContact CB-OE2 3.23Å; S115-E118 WeakPolarHBondContact CB-OE2 3.03Å; S115-E118 PolarHBondContact N-OE2 2.8Å; S115-E118 PolarHBondContact O-N 2.99Å; S115-E118 WeakPolarHBondContact OG-CB 3.43Å; S115-E118 VanDerWaalsContact OG-CG 3.26Å; S115-E118 WeakPolarHBondContact OG-CG 3.33Å; S115-E118 PolarHBondContact OG-N 2.52Å; S115-E118 VanDerWaalsContact OG-N 3.12Å; S115-E118 PolarHBondContact OG-OE2 3.11Å; S115-A119 PolarHBondContact O-N 3.23Å
116H95.2Very high96.1Very high51 Ų5154.1 Ų54.124%0.23626%0.264CS..Hα-helixtrans-61.7-33.1174.8-160.264.8000112.4D103 A119 R120D103-H116 IonicContact OD1-CE1 2.71Å; D103-H116 IonicContact OD2-CE1 3.7Å; D103-H116 PolarHBondContact OD2-CE1 3.08Å; D103-H116 VanDerWaalsContact OD2-CE1 3.31Å; H116-A119 PolarHBondContact O-N 3.21Å; H116-R120 PolarHBondContact CD2-NE 3.19Å; H116-R120 PolarHBondContact NE2-NE 3.4Å; H116-R120 PolarHBondContact NE2-NH2 3.45Å; H116-R120 WeakPolarHBondContact O-CG 3.41Å; H116-R120 PolarHBondContact O-N 3.03Å
117T96.3Very high96.3Very high91 Ų9153.4 Ų53.456%0.55826%0.256SS*.Hα-helixtrans-67.2-43176.3-55.40000111.2S115 R120 N121S115-T117 PolarHBondContact O-N 3.21Å; T117-R120 PolarHBondContact O-N 2.92Å; T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 PolarHBondContact O-N 2.95Å; T117-N121 PolarHBondContact O-ND2 3.11Å
118E96.8Very high96.5Very high77 Ų7752.4 Ų52.436%0.3625%0.252SS..Hα-helixtrans-62.1-43.9174.7-74.8164.311900111.6I114 S115 R120 N121 L122I114-E118 HydrophobicContact CB-CB 4.09Å; I114-E118 HydrophobicContact CD1-CB 4.16Å; I114-E118 HydrophobicContact CG1-CB 4.41Å; S115-E118 VanDerWaalsContact CB-OE2 3.23Å; S115-E118 WeakPolarHBondContact CB-OE2 3.03Å; S115-E118 PolarHBondContact N-OE2 2.8Å; S115-E118 PolarHBondContact O-N 2.99Å; S115-E118 WeakPolarHBondContact OG-CB 3.43Å; S115-E118 VanDerWaalsContact OG-CG 3.26Å; S115-E118 WeakPolarHBondContact OG-CG 3.33Å; S115-E118 PolarHBondContact OG-N 2.52Å; S115-E118 VanDerWaalsContact OG-N 3.12Å; S115-E118 PolarHBondContact OG-OE2 3.11Å; E118-R120 PolarHBondContact O-N 3.21Å; E118-N121 PolarHBondContact O-N 3.44Å; E118-N121 VanDerWaalsContact O-N 3.16Å; E118-L122 PolarHBondContact O-N 3.42Å
119A96.7Very high96.7Very high0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-58.3-46.3175.900000112W105 L108 I114 S115 H116 N121 L122W105-A119 HydrophobicContact CB-CB 4.03Å; W105-A119 HydrophobicContact CG-CB 4.48Å; L108-A119 HydrophobicContact CB-CB 4.14Å; I114-A119 HydrophobicContact CD1-CB 4Å; I114-A119 HydrophobicContact CG1-CB 4.48Å; S115-A119 PolarHBondContact O-N 3.23Å; H116-A119 PolarHBondContact O-N 3.21Å; A119-N121 VanDerWaalsContact C-N 3.34Å; A119-N121 PolarHBondContact O-N 3.04Å; A119-L122 WeakPolarHBondContact O-CB 3.28Å; A119-L122 PolarHBondContact O-N 3.23Å
120R96.4Very high96.8Very high124 Ų12447.3 Ų47.347%0.46823%0.229SC..Hα-helixtrans-62.2-39174.7-75.8175.7174.2-176.10.9113.1W105 H116 T117 E118 L122 D123W105-R120 HydrophobicContact CD2-CG 3.48Å; W105-R120 VanDerWaalsContact CD2-CG 3.48Å; W105-R120 HydrophobicContact CE3-CG 3.68Å; W105-R120 HydrophobicContact CG-CG 3.9Å; W105-R120 HydrophobicContact CH2-CG 4.21Å; W105-R120 HydrophobicContact CZ2-CG 4.06Å; W105-R120 HydrophobicContact CZ3-CG 4.04Å; H116-R120 PolarHBondContact CD2-NE 3.19Å; H116-R120 PolarHBondContact NE2-NE 3.4Å; H116-R120 PolarHBondContact NE2-NH2 3.45Å; H116-R120 WeakPolarHBondContact O-CG 3.41Å; H116-R120 PolarHBondContact O-N 3.03Å; T117-R120 PolarHBondContact O-N 2.92Å; E118-R120 PolarHBondContact O-N 3.21Å; R120-L122 PolarHBondContact O-N 3.2Å; R120-D123 PolarHBondContact O-N 3.16Å; R120-D123 VanDerWaalsContact O-N 3.16Å
121N96.8Very high97Very high67 Ų6739.8 Ų39.836%0.35820%0.201SC..Hα-helixtrans-66.8-22-178.7-74.3-18.6000112.9T117 E118 A119 D123 A124T117-N121 WeakPolarHBondContact O-CB 3.33Å; T117-N121 PolarHBondContact O-N 2.95Å; T117-N121 PolarHBondContact O-ND2 3.11Å; E118-N121 PolarHBondContact O-N 3.44Å; E118-N121 VanDerWaalsContact O-N 3.16Å; A119-N121 VanDerWaalsContact C-N 3.34Å; A119-N121 PolarHBondContact O-N 3.04Å; N121-D123 PolarHBondContact O-N 2.81Å; N121-A124 WeakPolarHBondContact O-CB 3.45Å; N121-A124 PolarHBondContact O-N 3.15Å
122L97.3Very high97Very high2 Ų235.2 Ų35.21%0.0118%0.181CC..Hα-helixtrans-61-34.6172.8-64.6177.5000112L87 L108 I114 E118 A119 R120 Y170 L173 F174 A177L87-L122 HydrophobicContact CD1-CB 3.79Å; L108-L122 HydrophobicContact CD1-CD1 4.45Å; I114-L122 HydrophobicContact CD1-CD1 4.49Å; E118-L122 PolarHBondContact O-N 3.42Å; A119-L122 WeakPolarHBondContact O-CB 3.28Å; A119-L122 PolarHBondContact O-N 3.23Å; R120-L122 PolarHBondContact O-N 3.2Å; L122-Y170 HydrophobicContact CD2-CD2 3.99Å; L122-Y170 HydrophobicContact CD2-CE2 3.82Å; L122-Y170 PolarHBondContact O-OH 2.91Å; L122-Y170 VanDerWaalsContact O-OH 3.12Å; L122-L173 HydrophobicContact CD1-CB 4.41Å; L122-L173 HydrophobicContact CD2-CB 3.92Å; L122-F174 HydrophobicContact CD2-CB 4.23Å; L122-A177 HydrophobicContact CD1-CB 3.79Å
123D97.3Very high97Very high15 Ų1533.4 Ų33.48%0.0817%0.172CC..Hα-helixtrans-84.1-17179.2-75-40.6000114.3S86 L87 N88 W105 R120 N121 E125 G126S86-D123 WeakPolarHBondContact CB-OD1 2.87Å; L87-D123 VanDerWaalsContact CB-OD1 3.32Å; L87-D123 WeakPolarHBondContact CB-OD1 3.43Å; L87-D123 WeakPolarHBondContact CG-OD1 3.17Å; L87-D123 PolarHBondContact N-OD1 2.86Å; N88-D123 PolarHBondContact N-OD2 3.49Å; W105-D123 PolarHBondContact NE1-OD2 3.48Å; R120-D123 PolarHBondContact O-N 3.16Å; R120-D123 VanDerWaalsContact O-N 3.16Å; N121-D123 PolarHBondContact O-N 2.81Å; D123-E125 PolarHBondContact O-N 3.44Å; D123-G126 PolarHBondContact O-N 3.15Å; D123-G126 VanDerWaalsContact O-N 3.14Å
124A96.4Very high96.4Very high7 Ų727.7 Ų27.76%0.05814%0.144CC..THydrogen-bonded Turntrans-63.7-15.2-171.900000115.1S61 I62 H63 N121S61-A124 CarbonylContact C-O 3.52Å; S61-A124 WeakPolarHBondContact CA-O 3.43Å; S61-A124 PolarHBondContact OG-O 3.14Å; I62-A124 PolarHBondContact N-O 3.29Å; H63-A124 WeakPolarHBondContact CD2-CB 3.39Å; N121-A124 WeakPolarHBondContact O-CB 3.45Å; N121-A124 PolarHBondContact O-N 3.15Å
125E96.9Very high95.6Very high14 Ų1429 Ų297%0.06515%0.153CC..THydrogen-bonded Turntrans-97.52-178.6-61.5-168.9173.600113.7Y67 S68 D123 R127 R167Y67-E125 HydrophobicContact CD1-CG 4.47Å; Y67-E125 HydrophobicContact CE1-CG 4.33Å; S68-E125 WeakPolarHBondContact CB-O 3.38Å; S68-E125 PolarHBondContact OG-O 2.79Å; D123-E125 PolarHBondContact O-N 3.44Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 HydrophobicContact CB-CG 3.8Å; E125-R127 PolarHBondContact O-N 2.94Å; E125-R127 IonicContact OE2-CZ 2.73Å; E125-R127 IonicContact OE2-NE 3.99Å; E125-R127 PolarHBondContact OE2-NE 2.96Å; E125-R127 IonicContact OE2-NH2 2.69Å; E125-R127 PolarHBondContact OE2-NH2 2.66Å; E125-R167 IonicContact OE1-CZ 3.36Å; E125-R167 IonicContact OE1-NH1 2.68Å; E125-R167 PolarHBondContact OE1-NH1 2.82Å; E125-R167 IonicContact OE1-NH2 3.8Å; E125-R167 IonicContact OE2-CZ 2.67Å; E125-R167 IonicContact OE2-NH1 3.75Å; E125-R167 PolarHBondContact OE2-NH1 2.78Å; E125-R167 IonicContact OE2-NH2 3.65Å; E125-R167 PolarHBondContact OE2-NH2 3.4Å
126G97Very high94.6Very high1 Ų131.5 Ų31.51%0.0116%0.163CC..  trans62.933.2175.400000114.1S59 H60 G69 T70 D123S59-G126 WeakPolarHBondContact OG-CA 3.14Å; H60-G126 WeakPolarHBondContact O-CA 3.21Å; G69-G126 CarbonylContact C-O 3.57Å; G69-G126 WeakPolarHBondContact CA-O 3.31Å; T70-G126 PolarHBondContact N-O 3Å; T70-G126 VanDerWaalsContact N-O 3.11Å; T70-G126 PolarHBondContact OG1-O 3.32Å; D123-G126 PolarHBondContact O-N 3.15Å; D123-G126 VanDerWaalsContact O-N 3.14Å
127R98Very high93.6Very high4 Ų429.2 Ų29.22%0.01515%0.152CC..  trans-86.4-9-167-72.2-179175.3-71.3-11.3115E125 I155 Y156 F157 F174E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 HydrophobicContact CB-CG 3.8Å; E125-R127 PolarHBondContact O-N 2.94Å; E125-R127 IonicContact OE2-CZ 2.73Å; E125-R127 IonicContact OE2-NE 3.99Å; E125-R127 PolarHBondContact OE2-NE 2.96Å; E125-R127 IonicContact OE2-NH2 2.69Å; E125-R127 PolarHBondContact OE2-NH2 2.66Å; R127-I155 CarbonylContact O-C 3.55Å; R127-I155 WeakPolarHBondContact O-CA 3.5Å; R127-Y156 WeakPolarHBondContact CB-O 3.34Å; R127-Y156 VanDerWaalsContact CD-O 3.3Å; R127-Y156 WeakPolarHBondContact CD-O 3.32Å; R127-Y156 HydrophobicContact CG-CD1 4.42Å; R127-Y156 VanDerWaalsContact CG-O 3.31Å; R127-Y156 WeakPolarHBondContact CG-O 3.46Å; R127-Y156 PolarHBondContact NH1-O 3.25Å; R127-Y156 PolarHBondContact O-N 2.84Å; R127-F157 PolarHBondContact NH1-O 3Å; R127-F174 HydrophobicContact CB-CE2 3.71Å; R127-F174 HydrophobicContact CB-CZ 3.56Å; R127-F174 HydrophobicContact CG-CE2 4.47Å; R127-F174 HydrophobicContact CG-CZ 4.49Å
128V98.5Very high92.8Very high4 Ų425.8 Ų25.82%0.02413%0.13CC..EExtended strand (participates in β ladder)trans-130.1131-175.5-178.70000109S59 H85 L87 I90 I155 F174S59-V128 WeakPolarHBondContact CB-O 3.48Å; S59-V128 PolarHBondContact OG-O 3.35Å; H85-V128 CarbonylContact C-O 3.45Å; L87-V128 HydrophobicContact CD2-CG2 3.91Å; L87-V128 HydrophobicContact CG-CG2 4.15Å; I90-V128 HydrophobicContact CD1-CG1 3.68Å; V128-I155 HydrophobicContact CG2-CG2 4.35Å; V128-F174 HydrophobicContact CG2-CE2 4.04Å; V128-F174 HydrophobicContact CG2-CZ 3.64Å
129L98.6Very high91.5Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-142122169.9176.459.7000108.7Y57 T70 V72 F84 L131 S154Y57-L129 VanDerWaalsContact O-CD2 3.23Å; Y57-L129 WeakPolarHBondContact O-CD2 3.33Å; T70-L129 WeakPolarHBondContact OG1-CB 3.38Å; V72-L129 HydrophobicContact CB-CD2 4.16Å; V72-L129 HydrophobicContact CG2-CD2 3.81Å; V72-L129 HydrophobicContact CG2-CG 4.13Å; F84-L129 CarbonylContact O-C 3.53Å; F84-L129 WeakPolarHBondContact O-CA 3.33Å; F84-L129 WeakPolarHBondContact O-CD1 3.34Å; L129-L131 HydrophobicContact CD1-CD1 4.15Å; L129-L131 HydrophobicContact CD2-CD1 4.49Å; L129-L131 HydrophobicContact CG-CD1 3.98Å; L129-S154 PolarHBondContact N-O 3.37Å; L129-S154 PolarHBondContact O-N 2.85Å
130G98.3Very high89.9Confident0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-114.9140.6177.900000111.9T83 F84 V152T83-G130 CarbonylContact C-O 3.58Å; T83-G130 WeakPolarHBondContact CA-O 3.49Å; F84-G130 PolarHBondContact N-O 3.22Å; F84-G130 PolarHBondContact O-N 3.27Å; G130-V152 CarbonylContact C-O 3.57Å; G130-V152 WeakPolarHBondContact CA-O 3.36Å
131L98.1Very high88.1Confident0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-122.4127.5173.3-87.264.6000108.9Y57 V72 C74 P80 T83 L129 F133 I151 V152Y57-L131 HydrophobicContact CD2-CD1 4.41Å; Y57-L131 HydrophobicContact CD2-CD2 3.78Å; Y57-L131 HydrophobicContact CD2-CG 4.37Å; Y57-L131 HydrophobicContact CE2-CD2 4.01Å; Y57-L131 HydrophobicContact CG-CD1 4.38Å; Y57-L131 HydrophobicContact CG-CD2 4.49Å; V72-L131 HydrophobicContact CB-CD1 3.93Å; V72-L131 HydrophobicContact CB-CD2 4.06Å; V72-L131 HydrophobicContact CG1-CD1 4.34Å; V72-L131 HydrophobicContact CG1-CD2 3.66Å; V72-L131 HydrophobicContact CG2-CD1 4.06Å; C74-L131 WeakPolarHBondContact SG-CD2 3.44Å; P80-L131 HydrophobicContact CB-CB 4.03Å; P80-L131 HydrophobicContact CB-CD2 4.17Å; P80-L131 HydrophobicContact CB-CG 4.02Å; P80-L131 HydrophobicContact CG-CD2 3.83Å; P80-L131 HydrophobicContact CG-CG 4.01Å; T83-L131 HydrophobicContact CG2-CD1 4.27Å; T83-L131 HydrophobicContact CG2-CG 4.09Å; L129-L131 HydrophobicContact CD1-CD1 4.15Å; L129-L131 HydrophobicContact CD2-CD1 4.49Å; L129-L131 HydrophobicContact CG-CD1 3.98Å; L131-F133 HydrophobicContact CB-CD2 4.5Å; L131-F133 HydrophobicContact CB-CE2 3.71Å; L131-F133 HydrophobicContact CB-CZ 4.12Å; L131-F133 HydrophobicContact CD2-CE2 4.36Å; L131-F133 HydrophobicContact CD2-CZ 3.97Å; L131-I151 CarbonylContact O-C 3.43Å; L131-I151 WeakPolarHBondContact O-CA 3.35Å; L131-V152 PolarHBondContact N-O 3.4Å; L131-V152 PolarHBondContact O-N 3.35Å
132Q96.4Very high86.2Confident22 Ų2229.2 Ų29.210%0.10315%0.148CC..EExtended strand (participates in β ladder)trans-99132.5172.6-169.117622.300109.8P80 T81 K82 F84 P149 L150 I151 N189P80-Q132 CarbonylContact C-O 3.6Å; P80-Q132 WeakPolarHBondContact CA-O 3.3Å; P80-Q132 VanDerWaalsContact CB-O 3.23Å; P80-Q132 WeakPolarHBondContact CB-O 3.37Å; T81-Q132 PolarHBondContact N-O 2.8Å; T81-Q132 PolarHBondContact OG1-O 2.84Å; K82-Q132 HydrophobicContact CB-CB 4.13Å; K82-Q132 PolarHBondContact N-O 3.09Å; K82-Q132 PolarHBondContact O-N 2.85Å; F84-Q132 HydrophobicContact CE2-CB 4.07Å; F84-Q132 HydrophobicContact CZ-CB 4.41Å; Q132-P149 HydrophobicContact CG-CB 4.15Å; Q132-L150 CarbonylContact C-O 3.53Å; Q132-L150 WeakPolarHBondContact CA-O 3.33Å; Q132-I151 HydrophobicContact CB-CG1 4Å; Q132-I151 HydrophobicContact CG-CD1 4.39Å; Q132-I151 HydrophobicContact CG-CG1 3.8Å; Q132-N189 PolarHBondContact NE2-OD1 3.4Å; Q132-N189 VanDerWaalsContact NE2-OD1 3.08Å
133F94.3Very high84.3Confident0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-114.2135.2176.3-63.7-91.4000108.7I32 P80 L131 I137 F138 L150 V152I32-F133 HydrophobicContact CD1-CD2 4.49Å; I32-F133 HydrophobicContact CD1-CE1 4.36Å; I32-F133 HydrophobicContact CD1-CE2 3.78Å; I32-F133 HydrophobicContact CD1-CZ 3.7Å; I32-F133 HydrophobicContact CG1-CZ 4.15Å; P80-F133 HydrophobicContact CB-CD1 4.32Å; P80-F133 HydrophobicContact CB-CE1 4.07Å; P80-F133 HydrophobicContact CB-CZ 4.22Å; L131-F133 HydrophobicContact CB-CD2 4.5Å; L131-F133 HydrophobicContact CB-CE2 3.71Å; L131-F133 HydrophobicContact CB-CZ 4.12Å; L131-F133 HydrophobicContact CD2-CE2 4.36Å; L131-F133 HydrophobicContact CD2-CZ 3.97Å; F133-I137 HydrophobicContact CB-CD1 4.19Å; F133-I137 HydrophobicContact CD1-CD1 4.21Å; F133-F138 HydrophobicContact CB-CE2 3.51Å; F133-F138 HydrophobicContact CB-CZ 3.73Å; F133-F138 HydrophobicContact CD1-CZ 4.28Å; F133-F138 HydrophobicContact CG-CE2 4.28Å; F133-F138 HydrophobicContact CG-CZ 4.01Å; F133-L150 HydrophobicContact CB-CB 4.4Å; F133-L150 PolarHBondContact N-O 3.33Å; F133-L150 PolarHBondContact O-N 3.44Å; F133-L150 VanDerWaalsContact O-N 3.15Å; F133-V152 HydrophobicContact CD2-CG2 4.39Å; F133-V152 HydrophobicContact CE2-CB 4.37Å; F133-V152 HydrophobicContact CE2-CG2 4.05Å
134S86.1Confident82.5Confident34 Ų3436.8 Ų36.824%0.23820%0.195CC..  trans-73.9156.5176.9179.30000110.8D136 I137S134-D136 WeakPolarHBondContact CB-OD1 3.5Å; S134-D136 PolarHBondContact OG-OD1 3.09Å; S134-I137 WeakPolarHBondContact O-CB 3.11Å; S134-I137 VanDerWaalsContact O-CG1 3.27Å; S134-I137 WeakPolarHBondContact O-CG1 3.17Å; S134-I137 PolarHBondContact O-N 2.98Å
135T79.3Confident81Confident49 Ų4944.8 Ų44.830%0.30124%0.237SC..G310 helixtrans-76.3-25.2-173.252.30000112.9I137 F138 I147 R148 P149T135-I137 PolarHBondContact O-N 2.85Å; T135-F138 PolarHBondContact O-N 2.77Å; T135-F138 VanDerWaalsContact O-N 3.15Å; T135-F138 VanDerWaalsContact O-O 3.12Å; T135-I147 HydrophobicContact CG2-CG2 3.46Å; T135-I147 VanDerWaalsContact CG2-CG2 3.46Å; T135-I147 WeakPolarHBondContact OG1-CG2 3.21Å; T135-R148 WeakPolarHBondContact CG2-O 3.37Å; T135-P149 HydrophobicContact CG2-CB 4.49Å; T135-P149 HydrophobicContact CG2-CG 4.38Å
136D76.7Confident79.7Confident99 Ų9949.2 Ų49.253%0.52926%0.258SS..G310 helixtrans-62.8-20.1172.465.4-35.8000113.6S134 F138S134-D136 WeakPolarHBondContact CB-OD1 3.5Å; S134-D136 PolarHBondContact OG-OD1 3.09Å; D136-F138 VanDerWaalsContact C-N 3.29Å
137I72.9Confident78.6Confident3 Ų355.1 Ų55.12%0.01529%0.288CS..G310 helixtrans-72.2-28.9176.9-48.3-174.2000111.2L78 K79 F133 S134 T135 L331 F333 Y335L78-I137 HydrophobicContact CD2-CG2 3.67Å; K79-I137 VanDerWaalsContact O-CD1 3.27Å; K79-I137 WeakPolarHBondContact O-CD1 3.24Å; F133-I137 HydrophobicContact CB-CD1 4.19Å; F133-I137 HydrophobicContact CD1-CD1 4.21Å; S134-I137 WeakPolarHBondContact O-CB 3.11Å; S134-I137 VanDerWaalsContact O-CG1 3.27Å; S134-I137 WeakPolarHBondContact O-CG1 3.17Å; S134-I137 PolarHBondContact O-N 2.98Å; T135-I137 PolarHBondContact O-N 2.85Å; I137-L331 HydrophobicContact CG2-CD1 4.45Å; I137-F333 HydrophobicContact CB-CE1 4.28Å; I137-F333 HydrophobicContact CB-CZ 4.49Å; I137-F333 HydrophobicContact CD1-CE1 4.08Å; I137-F333 HydrophobicContact CD1-CZ 4.41Å; I137-F333 HydrophobicContact CG1-CE1 3.68Å; I137-F333 HydrophobicContact CG1-CZ 4.23Å; I137-F333 HydrophobicContact CG2-CE1 4.12Å; I137-F333 HydrophobicContact CG2-CZ 3.84Å; I137-Y335 VanDerWaalsContact CD1-OH 3.25Å; I137-Y335 WeakPolarHBondContact CD1-OH 3.35Å
138F79.6Confident78.1Confident20 Ų2057 Ų579%0.08830%0.295CS..  trans-112.2126.4-169.1-57.3-52.7000111.9V4 L78 F133 T135 D136 L150 Y325 F326V4-F138 HydrophobicContact CG2-CD1 3.87Å; V4-F138 HydrophobicContact CG2-CE1 3.66Å; L78-F138 HydrophobicContact CD2-CE1 4.1Å; F133-F138 HydrophobicContact CB-CE2 3.51Å; F133-F138 HydrophobicContact CB-CZ 3.73Å; F133-F138 HydrophobicContact CD1-CZ 4.28Å; F133-F138 HydrophobicContact CG-CE2 4.28Å; F133-F138 HydrophobicContact CG-CZ 4.01Å; T135-F138 PolarHBondContact O-N 2.77Å; T135-F138 VanDerWaalsContact O-N 3.15Å; T135-F138 VanDerWaalsContact O-O 3.12Å; D136-F138 VanDerWaalsContact C-N 3.29Å; F138-L150 HydrophobicContact CE2-CB 3.91Å; F138-L150 HydrophobicContact CE2-CD2 3.76Å; F138-L150 HydrophobicContact CE2-CG 4.48Å; F138-L150 HydrophobicContact CZ-CD2 3.92Å; F138-Y325 HydrophobicContact CB-CD1 3.65Å; F138-Y325 HydrophobicContact CB-CE1 4.37Å; F138-Y325 HydrophobicContact CB-CG 3.98Å; F138-Y325 HydrophobicContact CD1-CG 4.18Å; F138-Y325 HydrophobicContact CD2-CD1 4.31Å; F138-Y325 HydrophobicContact CD2-CD2 4.39Å; F138-Y325 HydrophobicContact CD2-CG 4.2Å; F138-Y325 AromaticContact CG-CD1 4Å; F138-Y325 HydrophobicContact CG-CD1 4Å; F138-Y325 HydrophobicContact CG-CD2 4.43Å; F138-Y325 AromaticContact CG-CG 3.86Å; F138-Y325 HydrophobicContact CG-CG 3.86Å; F138-F326 CarbonylContact C-O 3.57Å; F138-F326 VanDerWaalsContact CA-O 3.31Å; F138-F326 WeakPolarHBondContact CA-O 3.15Å
139T70.8Confident77.9Confident59 Ų5958.5 Ų58.536%0.36231%0.305SS..BIsolated β-bridgetrans-90.6126.5159.953.70000108.7M1 F326M1-T139 HydrophobicContact CE-CG2 3.9Å; M1-T139 PolarHBondContact SD-OG1 2.83Å; T139-F326 PolarHBondContact N-O 2.77Å; T139-F326 PolarHBondContact O-N 2.96Å; T139-F326 PolarHBondContact OG1-O 3.19Å
140T62.5Low77.7Confident41 Ų4158.6 Ų58.625%0.25231%0.305SS..  trans-95.8155.7172.5470000110.1R142 Y325T140-R142 WeakPolarHBondContact CB-O 3.37Å; T140-R142 PolarHBondContact O-N 2.97Å; T140-R142 PolarHBondContact OG1-O 3.33Å; T140-Y325 HydrophobicContact CG2-CD1 3.54Å; T140-Y325 HydrophobicContact CG2-CE1 3.5Å; T140-Y325 VanDerWaalsContact CG2-CE1 3.5Å
141F59.2Low77.6Confident74 Ų7458.6 Ų58.633%0.32531%0.306SS..SBendtrans-62.5-25175.9-71-88.3000113.5I298 F326F141-I298 HydrophobicContact CB-CD1 4.28Å; F141-I298 HydrophobicContact CB-CG1 3.78Å; F141-I298 HydrophobicContact CB-CG2 4.43Å; F141-I298 HydrophobicContact CD1-CG2 3.86Å; F141-I298 HydrophobicContact CD2-CB 4.39Å; F141-I298 HydrophobicContact CD2-CD1 3.14Å; F141-I298 HydrophobicContact CD2-CG1 3.53Å; F141-I298 HydrophobicContact CD2-CG2 3.92Å; F141-I298 HydrophobicContact CE1-CG2 3.83Å; F141-I298 HydrophobicContact CE2-CD1 3.44Å; F141-I298 VanDerWaalsContact CE2-CD1 3.44Å; F141-I298 HydrophobicContact CE2-CG1 4.08Å; F141-I298 HydrophobicContact CE2-CG2 3.86Å; F141-I298 HydrophobicContact CG-CD1 3.93Å; F141-I298 HydrophobicContact CG-CG1 3.77Å; F141-I298 HydrophobicContact CG-CG2 3.85Å; F141-I298 HydrophobicContact CZ-CD1 4.43Å; F141-I298 HydrophobicContact CZ-CG2 3.77Å; F141-F326 AromaticContact CD1-CE2 3.92Å; F141-F326 HydrophobicContact CD1-CE2 3.92Å; F141-F326 HydrophobicContact CD1-CZ 4.47Å; F141-F326 HydrophobicContact CD2-CD2 4.43Å; F141-F326 AromaticContact CD2-CE2 3.59Å; F141-F326 HydrophobicContact CD2-CE2 3.59Å; F141-F326 HydrophobicContact CD2-CZ 4.42Å; F141-F326 AromaticContact CE1-CE2 3.49Å; F141-F326 HydrophobicContact CE1-CE2 3.49Å; F141-F326 VanDerWaalsContact CE1-CE2 3.49Å; F141-F326 AromaticContact CE1-CZ 3.61Å; F141-F326 HydrophobicContact CE1-CZ 3.61Å; F141-F326 HydrophobicContact CE2-CD2 4.25Å; F141-F326 AromaticContact CE2-CE2 3.15Å; F141-F326 HydrophobicContact CE2-CE2 3.15Å; F141-F326 AromaticContact CE2-CZ 3.58Å; F141-F326 HydrophobicContact CE2-CZ 3.58Å; F141-F326 HydrophobicContact CG-CE2 4Å; F141-F326 HydrophobicContact CZ-CD2 4.48Å; F141-F326 HydrophobicContact CZ-CE1 4.49Å; F141-F326 AromaticContact CZ-CE2 3.14Å; F141-F326 HydrophobicContact CZ-CE2 3.14Å; F141-F326 AromaticContact CZ-CZ 3.14Å; F141-F326 HydrophobicContact CZ-CZ 3.14Å
142R56.3Low77.7Confident165 Ų16558.6 Ų58.662%0.62331%0.306SS*.SBendtrans-134.4150.7173.3-72.1-177.7179.1-123.10.1109.2T140 P144T140-R142 WeakPolarHBondContact CB-O 3.37Å; T140-R142 PolarHBondContact O-N 2.97Å; T140-R142 PolarHBondContact OG1-O 3.33Å; R142-P144 WeakPolarHBondContact O-CD 3.31Å
143T57.4Low77.8Confident132 Ų13257.7 Ų57.781%0.8130%0.301SS*.  trans-64.9111.7164.849.10000107.7
144P60.3Low78Confident44 Ų4457.7 Ų57.729%0.28630%0.301SS..  trans-64.6150.6175.128-33000109.7R142 E146 I147R142-P144 WeakPolarHBondContact O-CD 3.31Å; P144-E146 WeakPolarHBondContact CB-O 3.45Å; P144-E146 PolarHBondContact O-N 3.38Å; P144-I147 HydrophobicContact CG-CG1 4.11Å
145D63.7Low78.6Confident176 Ų17656.1 Ų56.194%0.94129%0.29SS*.SBendtrans-59.5-30.6175.6-61.6-39.5000111.5
146E70.2Confident79.5Confident106 Ų10654.5 Ų54.550%0.49528%0.279SS..SBendtrans-128.9123.4174-68.9179.6176.500110.6P144 R148 K290P144-E146 WeakPolarHBondContact CB-O 3.45Å; P144-E146 PolarHBondContact O-N 3.38Å; E146-R148 PolarHBondContact O-N 3.01Å; E146-R148 IonicContact OE2-CZ 2.75Å; E146-R148 VanDerWaalsContact OE2-CZ 3.28Å; E146-R148 IonicContact OE2-NE 3.31Å; E146-R148 PolarHBondContact OE2-NE 2.77Å; E146-R148 IonicContact OE2-NH2 3.88Å; E146-R148 PolarHBondContact OE2-NH2 2.87Å; E146-K290 IonicContact OE2-NZ 2.69Å; E146-K290 PolarHBondContact OE2-NZ 3.06Å
147I73.6Confident80.5Confident125 Ų12549.8 Ų49.864%0.64125%0.254SS*.  trans-85.3109.8175.1-65.8172.4000108.7T135 P144T135-I147 HydrophobicContact CG2-CG2 3.46Å; T135-I147 VanDerWaalsContact CG2-CG2 3.46Å; T135-I147 WeakPolarHBondContact OG1-CG2 3.21Å; P144-I147 HydrophobicContact CG-CG1 4.11Å
148R88.4Confident81.7Confident44 Ų4449.7 Ų49.717%0.16625%0.253CS..  trans-116134.4-178.9-66.5179175.7-134.9-11.6111.5T135 E146 L186 I187 N190T135-R148 WeakPolarHBondContact CG2-O 3.37Å; E146-R148 PolarHBondContact O-N 3.01Å; E146-R148 IonicContact OE2-CZ 2.75Å; E146-R148 VanDerWaalsContact OE2-CZ 3.28Å; E146-R148 IonicContact OE2-NE 3.31Å; E146-R148 PolarHBondContact OE2-NE 2.77Å; E146-R148 IonicContact OE2-NH2 3.88Å; E146-R148 PolarHBondContact OE2-NH2 2.87Å; R148-L186 PolarHBondContact NH1-O 3.03Å; R148-I187 PolarHBondContact NH1-O 2.79Å; R148-N190 WeakPolarHBondContact CD-OD1 3.26Å
149P92.5Very high82.3Confident36 Ų3657 Ų5723%0.23428%0.28CS..  trans-57.3149.1170.7-22.333.3000111.5Q132 T135 N189 N190Q132-P149 HydrophobicContact CG-CB 4.15Å; T135-P149 HydrophobicContact CG2-CB 4.49Å; T135-P149 HydrophobicContact CG2-CG 4.38Å; P149-N189 WeakPolarHBondContact O-CA 3.14Å; P149-N190 PolarHBondContact O-N 2.97Å
150L95.2Very high83.1Confident1 Ų155.4 Ų55.41%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-94.1131.1175.2175.266.2000109.7Q132 F133 F138 V152 N190 V192 L291 L323 Y325Q132-L150 CarbonylContact C-O 3.53Å; Q132-L150 WeakPolarHBondContact CA-O 3.33Å; F133-L150 HydrophobicContact CB-CB 4.4Å; F133-L150 PolarHBondContact N-O 3.33Å; F133-L150 PolarHBondContact O-N 3.44Å; F133-L150 VanDerWaalsContact O-N 3.15Å; F138-L150 HydrophobicContact CE2-CB 3.91Å; F138-L150 HydrophobicContact CE2-CD2 3.76Å; F138-L150 HydrophobicContact CE2-CG 4.48Å; F138-L150 HydrophobicContact CZ-CD2 3.92Å; L150-V152 HydrophobicContact CD2-CG2 4.15Å; L150-V152 HydrophobicContact CG-CG2 4.22Å; L150-N190 CarbonylContact C-O 3.37Å; L150-N190 WeakPolarHBondContact CA-O 3.32Å; L150-N190 HydrophobicContact CD1-CB 4.33Å; L150-V192 HydrophobicContact CD1-CG2 3.78Å; L150-L291 HydrophobicContact CD1-CD1 4.2Å; L150-L323 HydrophobicContact CD2-CD1 3.98Å; L150-Y325 HydrophobicContact CB-CE2 4.4Å; L150-Y325 HydrophobicContact CD1-CE2 4.07Å; L150-Y325 HydrophobicContact CD2-CD2 3.98Å; L150-Y325 HydrophobicContact CD2-CE2 3.84Å; L150-Y325 HydrophobicContact CG-CE2 4.32Å
151I97.1Very high84Confident1 Ų156.9 Ų56.91%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-113.8125.4168.3-64.7176.4000109.5F84 L131 Q132 L153 L185 N189 N190 V191 V192F84-I151 HydrophobicContact CE2-CD1 4.27Å; L131-I151 CarbonylContact O-C 3.43Å; L131-I151 WeakPolarHBondContact O-CA 3.35Å; Q132-I151 HydrophobicContact CB-CG1 4Å; Q132-I151 HydrophobicContact CG-CD1 4.39Å; Q132-I151 HydrophobicContact CG-CG1 3.8Å; I151-L153 HydrophobicContact CG2-CD2 3.69Å; I151-L153 HydrophobicContact CG2-CG 4.1Å; I151-L185 HydrophobicContact CD1-CB 4.49Å; I151-L185 HydrophobicContact CD1-CD1 4.23Å; I151-L185 HydrophobicContact CD1-CD2 3.53Å; I151-L185 HydrophobicContact CD1-CG 4.28Å; I151-L185 HydrophobicContact CG2-CD1 4.12Å; I151-N189 HydrophobicContact CD1-CB 3.78Å; I151-N189 VanDerWaalsContact CD1-CG 3.43Å; I151-N189 HydrophobicContact CG1-CB 4.09Å; I151-N190 PolarHBondContact N-O 3.34Å; I151-V191 CarbonylContact O-C 3.59Å; I151-V191 WeakPolarHBondContact O-CA 3.49Å; I151-V192 PolarHBondContact O-N 2.82Å
152V98.5Very high84.8Confident0 Ų056.5 Ų56.50%028%0.28CS..EExtended strand (participates in β ladder)trans-105.2118.3171.3179.20000109I6 I32 G130 L131 F133 L150 V192I6-V152 HydrophobicContact CD1-CG1 3.38Å; I6-V152 HydrophobicContact CD1-CG2 4.47Å; I32-V152 HydrophobicContact CD1-CG2 4.06Å; I32-V152 HydrophobicContact CG2-CG1 4.09Å; G130-V152 CarbonylContact C-O 3.57Å; G130-V152 WeakPolarHBondContact CA-O 3.36Å; L131-V152 PolarHBondContact N-O 3.4Å; L131-V152 PolarHBondContact O-N 3.35Å; F133-V152 HydrophobicContact CD2-CG2 4.39Å; F133-V152 HydrophobicContact CE2-CB 4.37Å; F133-V152 HydrophobicContact CE2-CG2 4.05Å; L150-V152 HydrophobicContact CD2-CG2 4.15Å; L150-V152 HydrophobicContact CG-CG2 4.22Å; V152-V192 HydrophobicContact CG2-CB 4.3Å
153L98.7Very high86Confident2 Ų255.6 Ų55.61%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-100.6119175.2-58.9-178000110.1I90 I151 I155 I182 L185 V191 V192 I193 A194I90-L153 HydrophobicContact CD1-CD2 3.96Å; I151-L153 HydrophobicContact CG2-CD2 3.69Å; I151-L153 HydrophobicContact CG2-CG 4.1Å; L153-I155 HydrophobicContact CB-CD1 4.1Å; L153-I155 HydrophobicContact CB-CG1 4.05Å; L153-I155 HydrophobicContact CD1-CD1 4.3Å; L153-I182 HydrophobicContact CD1-CG1 4.27Å; L153-L185 HydrophobicContact CD1-CD1 4.03Å; L153-L185 HydrophobicContact CD2-CD1 4.15Å; L153-L185 HydrophobicContact CG-CD1 4.49Å; L153-V191 HydrophobicContact CD1-CG1 4.11Å; L153-V191 HydrophobicContact CG-CG1 4.38Å; L153-V192 PolarHBondContact N-O 3.04Å; L153-I193 HydrophobicContact CD1-CG1 4.37Å; L153-A194 PolarHBondContact O-N 3.3Å; L153-A194 VanDerWaalsContact O-O 3.14Å
154S98.7Very high87.4Confident0 Ų051.9 Ų51.90%026%0.258CS..EExtended strand (participates in β ladder)trans-92.5113.1164.8177.80000109.5Q36 L129 A194Q36-S154 PolarHBondContact NE2-OG 3.08Å; L129-S154 PolarHBondContact N-O 3.37Å; L129-S154 PolarHBondContact O-N 2.85Å; S154-A194 VanDerWaalsContact CA-O 3.26Å; S154-A194 WeakPolarHBondContact CA-O 3.27Å
155I98.8Very high88.7Confident2 Ų255.1 Ų55.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-123.6133.1-175-50.9-176.8000111.4R127 V128 L153 F157 F174 V178 I193 A194 G195 D196R127-I155 CarbonylContact O-C 3.55Å; R127-I155 WeakPolarHBondContact O-CA 3.5Å; V128-I155 HydrophobicContact CG2-CG2 4.35Å; L153-I155 HydrophobicContact CB-CD1 4.1Å; L153-I155 HydrophobicContact CB-CG1 4.05Å; L153-I155 HydrophobicContact CD1-CD1 4.3Å; I155-F157 HydrophobicContact CB-CD2 4.19Å; I155-F157 HydrophobicContact CB-CE2 3.81Å; I155-F157 HydrophobicContact CD1-CE2 4.43Å; I155-F157 HydrophobicContact CD1-CZ 4.46Å; I155-F157 HydrophobicContact CG2-CD2 3.56Å; I155-F157 HydrophobicContact CG2-CE1 4.48Å; I155-F157 HydrophobicContact CG2-CE2 3.37Å; I155-F157 HydrophobicContact CG2-CG 4.24Å; I155-F157 HydrophobicContact CG2-CZ 3.88Å; I155-F174 HydrophobicContact CG2-CE1 3.98Å; I155-F174 HydrophobicContact CG2-CZ 4.13Å; I155-V178 HydrophobicContact CD1-CG1 3.91Å; I155-I193 HydrophobicContact CD1-CG2 3.84Å; I155-I193 HydrophobicContact CG1-CG2 4.28Å; I155-A194 PolarHBondContact N-O 3.35Å; I155-G195 VanDerWaalsContact O-CA 3.26Å; I155-G195 WeakPolarHBondContact O-CA 3.41Å; I155-D196 PolarHBondContact O-N 3.14Å
156Y98.6Very high89.9Confident14 Ų1454.4 Ų54.46%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-111.896170.1177.3-135.1000110.3Q36 E37 S68 R127 D196 N198Q36-Y156 HydrophobicContact CB-CD2 4.19Å; Q36-Y156 HydrophobicContact CB-CG 4.16Å; E37-Y156 HydrophobicContact CG-CD1 4.05Å; E37-Y156 HydrophobicContact CG-CD2 4.26Å; E37-Y156 HydrophobicContact CG-CE1 3.49Å; E37-Y156 VanDerWaalsContact CG-CE1 3.49Å; E37-Y156 HydrophobicContact CG-CE2 3.69Å; E37-Y156 HydrophobicContact CG-CG 4.43Å; E37-Y156 WeakPolarHBondContact CG-OH 3.18Å; E37-Y156 WeakPolarHBondContact OE1-CE2 3.12Å; E37-Y156 VanDerWaalsContact OE1-CZ 3.22Å; E37-Y156 PolarHBondContact OE1-OH 3.13Å; S68-Y156 WeakPolarHBondContact OG-CD1 3.42Å; R127-Y156 WeakPolarHBondContact CB-O 3.34Å; R127-Y156 VanDerWaalsContact CD-O 3.3Å; R127-Y156 WeakPolarHBondContact CD-O 3.32Å; R127-Y156 HydrophobicContact CG-CD1 4.42Å; R127-Y156 VanDerWaalsContact CG-O 3.31Å; R127-Y156 WeakPolarHBondContact CG-O 3.46Å; R127-Y156 PolarHBondContact NH1-O 3.25Å; R127-Y156 PolarHBondContact O-N 2.84Å; Y156-D196 HydrophobicContact CD2-CB 4.09Å; Y156-D196 HydrophobicContact CE2-CB 4.5Å; Y156-D196 WeakPolarHBondContact CE2-OD2 3.49Å; Y156-N198 WeakPolarHBondContact CE2-ND2 3.33Å
157F98.3Very high91Very high1 Ų151 Ų510%0.00425%0.251CS..PPolyproline II helixtrans-69.5146.8-177.7-74.2-99.1000111.4R127 I155 R159 F174 Q175 V178 D196 F197 N198 W224R127-F157 PolarHBondContact NH1-O 3Å; I155-F157 HydrophobicContact CB-CD2 4.19Å; I155-F157 HydrophobicContact CB-CE2 3.81Å; I155-F157 HydrophobicContact CD1-CE2 4.43Å; I155-F157 HydrophobicContact CD1-CZ 4.46Å; I155-F157 HydrophobicContact CG2-CD2 3.56Å; I155-F157 HydrophobicContact CG2-CE1 4.48Å; I155-F157 HydrophobicContact CG2-CE2 3.37Å; I155-F157 HydrophobicContact CG2-CG 4.24Å; I155-F157 HydrophobicContact CG2-CZ 3.88Å; F157-R159 PolarHBondContact O-N 3.02Å; F157-F174 AromaticContact CD1-CD1 3.95Å; F157-F174 HydrophobicContact CD1-CD1 3.95Å; F157-F174 AromaticContact CD1-CE1 3.88Å; F157-F174 HydrophobicContact CD1-CE1 3.88Å; F157-F174 HydrophobicContact CE1-CD1 4.34Å; F157-F174 HydrophobicContact CE1-CE1 4.2Å; F157-F174 HydrophobicContact CG-CE1 4.28Å; F157-Q175 HydrophobicContact CD1-CG 4.22Å; F157-Q175 HydrophobicContact CE1-CG 4.21Å; F157-V178 HydrophobicContact CE1-CG1 4.26Å; F157-V178 HydrophobicContact CE1-CG2 4.49Å; F157-V178 HydrophobicContact CZ-CG1 4Å; F157-D196 PolarHBondContact N-O 3.15Å; F157-F197 WeakPolarHBondContact CB-O 3.4Å; F157-F197 HydrophobicContact CD2-CB 4.22Å; F157-F197 AromaticContact CD2-CD1 3.94Å; F157-F197 HydrophobicContact CD2-CD1 3.94Å; F157-F197 HydrophobicContact CD2-CD2 4.23Å; F157-F197 HydrophobicContact CD2-CE1 4.37Å; F157-F197 AromaticContact CD2-CG 3.88Å; F157-F197 HydrophobicContact CD2-CG 3.88Å; F157-F197 AromaticContact CE2-CD1 3.53Å; F157-F197 HydrophobicContact CE2-CD1 3.53Å; F157-F197 HydrophobicContact CE2-CD2 4.06Å; F157-F197 AromaticContact CE2-CE1 3.52Å; F157-F197 HydrophobicContact CE2-CE1 3.52Å; F157-F197 HydrophobicContact CE2-CE2 4.05Å; F157-F197 AromaticContact CE2-CG 3.83Å; F157-F197 HydrophobicContact CE2-CG 3.83Å; F157-F197 AromaticContact CE2-CZ 3.8Å; F157-F197 HydrophobicContact CE2-CZ 3.8Å; F157-F197 AromaticContact CZ-CD1 3.88Å; F157-F197 HydrophobicContact CZ-CD1 3.88Å; F157-F197 AromaticContact CZ-CE1 3.69Å; F157-F197 HydrophobicContact CZ-CE1 3.69Å; F157-F197 HydrophobicContact CZ-CZ 4.27Å; F157-N198 PolarHBondContact O-ND2 3.19Å; F157-W224 AromaticContact CE1-CH2 3.49Å; F157-W224 HydrophobicContact CE1-CH2 3.49Å; F157-W224 VanDerWaalsContact CE1-CH2 3.49Å; F157-W224 HydrophobicContact CE1-CZ2 4.44Å; F157-W224 AromaticContact CE1-CZ3 3.79Å; F157-W224 HydrophobicContact CE1-CZ3 3.79Å; F157-W224 AromaticContact CZ-CH2 3.71Å; F157-W224 HydrophobicContact CZ-CH2 3.71Å; F157-W224 HydrophobicContact CZ-CZ3 4.12Å
158P96.6Very high91.8Very high0 Ų047.2 Ų47.20%023%0.232CC..PPolyproline II helixtrans-60.3130.6-179.7-25.136.1000112.4Y170 K171 F174P158-Y170 HydrophobicContact CB-CD1 3.97Å; P158-Y170 HydrophobicContact CB-CE1 4.04Å; P158-Y170 HydrophobicContact CG-CD1 3.68Å; P158-Y170 HydrophobicContact CG-CE1 3.44Å; P158-Y170 VanDerWaalsContact CG-CE1 3.44Å; P158-K171 HydrophobicContact CB-CB 4.1Å; P158-K171 HydrophobicContact CB-CG 4.13Å; P158-K171 HydrophobicContact CG-CB 4.46Å; P158-K171 HydrophobicContact CG-CG 4.42Å; P158-K171 WeakPolarHBondContact O-CD 3.21Å; P158-K171 VanDerWaalsContact O-CE 3.24Å; P158-K171 WeakPolarHBondContact O-CE 3.5Å; P158-K171 PolarHBondContact O-NZ 3.06Å; P158-F174 VanDerWaalsContact CD-CD1 3.46Å; P158-F174 HydrophobicContact CG-CB 4.16Å; P158-F174 HydrophobicContact CG-CD1 4.09Å; P158-F174 HydrophobicContact CG-CG 4.03Å
159R93.5Very high92.1Very high174 Ų17449 Ų4966%0.65725%0.245SC*.PPolyproline II helixtrans-63.8135.4168.5-175.7174.8178.3160.18.3110.7F157F157-R159 PolarHBondContact O-N 3.02Å
160L86.4Confident92.2Very high25 Ų2548.6 Ų48.613%0.13124%0.239CC..PPolyproline II helixtrans-73.4130.3175-176.263.7000110.4P162 L168 F217 S218 F221L160-P162 HydrophobicContact CD2-CG 4.24Å; L160-P162 HydrophobicContact CG-CG 4.19Å; L160-L168 HydrophobicContact CD1-CD1 3.53Å; L160-F217 HydrophobicContact CD2-CB 4.24Å; L160-S218 VanDerWaalsContact CD2-OG 3.26Å; L160-S218 WeakPolarHBondContact CD2-OG 3.37Å; L160-F221 HydrophobicContact CD1-CE2 3.79Å; L160-F221 HydrophobicContact CD1-CZ 4.29Å; L160-F221 HydrophobicContact CD2-CE2 4.39Å
161N82.9Confident92.2Very high72 Ų7248.7 Ų48.739%0.38524%0.239SC..  trans-121.6101.8161.6-178.40.3000108.1E163 N164N161-E163 PolarHBondContact O-N 2.97Å; N161-E163 VanDerWaalsContact O-N 3.12Å; N161-E163 PolarHBondContact OD1-N 2.75Å; N161-N164 HydrophobicContact CB-CB 4.22Å; N161-N164 PolarHBondContact O-N 2.78Å
162P76Confident92.1Very high66 Ų6651.5 Ų51.543%0.42925%0.252SS..THydrogen-bonded Turntrans-59.6-24.8-177.3-24.334.3000113.8L160 N164 F217L160-P162 HydrophobicContact CD2-CG 4.24Å; L160-P162 HydrophobicContact CG-CG 4.19Å; P162-N164 PolarHBondContact O-N 2.98Å; P162-F217 HydrophobicContact CB-CD2 4.34Å; P162-F217 HydrophobicContact CB-CG 4.25Å
163E79.7Confident92Very high146 Ų14652.7 Ų52.768%0.68226%0.258SS*.THydrogen-bonded Turntrans-76.3-6.4177.5-60.6175.8-168.600112.6N161 K473N161-E163 PolarHBondContact O-N 2.97Å; N161-E163 VanDerWaalsContact O-N 3.12Å; N161-E163 PolarHBondContact OD1-N 2.75Å; E163-K473 IonicContact OE1-NZ 3.43Å; E163-K473 PolarHBondContact OE1-NZ 2.95Å; E163-K473 IonicContact OE2-NZ 2.96Å
164N86.7Confident92Very high54 Ų5452.6 Ų52.629%0.28926%0.258SS..  trans-124.597.4-176.5-173.2-34.3000111.5N161 P162 E166 R167 L168N161-N164 HydrophobicContact CB-CB 4.22Å; N161-N164 PolarHBondContact O-N 2.78Å; P162-N164 PolarHBondContact O-N 2.98Å; N164-E166 VanDerWaalsContact C-N 3.29Å; N164-E166 PolarHBondContact O-N 2.99Å; N164-E166 WeakPolarHBondContact OD1-CB 3.17Å; N164-E166 PolarHBondContact OD1-N 3.04Å; N164-E166 VanDerWaalsContact OD1-N 3.13Å; N164-R167 HydrophobicContact CB-CB 4.16Å; N164-R167 HydrophobicContact CB-CG 4.12Å; N164-R167 PolarHBondContact O-N 2.83Å; N164-R167 VanDerWaalsContact O-N 3.1Å; N164-R167 PolarHBondContact OD1-N 2.85Å; N164-L168 PolarHBondContact O-N 2.89Å; N164-L168 VanDerWaalsContact O-N 3.13Å
165V87.8Confident91.9Very high112 Ų11252.7 Ų52.768%0.67926%0.258SS*.Hα-helixtrans-59.3-36.8-179.2-179.20000112.4R167 L168 N169V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 3.11Å; V165-L168 WeakPolarHBondContact O-CB 3.4Å; V165-L168 PolarHBondContact O-N 3.24Å; V165-N169 PolarHBondContact O-N 3Å
166E90.5Very high91.8Very high162 Ų16254.7 Ų54.776%0.75727%0.272SS*.Hα-helixtrans-63.6-38.2177.5-62.1179.2172.700111.6N164 N169 Y170N164-E166 VanDerWaalsContact C-N 3.29Å; N164-E166 PolarHBondContact O-N 2.99Å; N164-E166 WeakPolarHBondContact OD1-CB 3.17Å; N164-E166 PolarHBondContact OD1-N 3.04Å; N164-E166 VanDerWaalsContact OD1-N 3.13Å; E166-N169 PolarHBondContact O-N 3.4Å; E166-Y170 VanDerWaalsContact O-CB 3.29Å; E166-Y170 WeakPolarHBondContact O-CB 3.35Å; E166-Y170 PolarHBondContact O-N 2.82Å
167R91.8Very high91.8Very high33 Ų3354 Ų5413%0.12527%0.27CS..Hα-helixtrans-70.3-33175.6-68.7-53.5-58.8-174.9-10.8112.9E125 N164 V165 K171E125-R167 IonicContact OE1-CZ 3.36Å; E125-R167 IonicContact OE1-NH1 2.68Å; E125-R167 PolarHBondContact OE1-NH1 2.82Å; E125-R167 IonicContact OE1-NH2 3.8Å; E125-R167 IonicContact OE2-CZ 2.67Å; E125-R167 IonicContact OE2-NH1 3.75Å; E125-R167 PolarHBondContact OE2-NH1 2.78Å; E125-R167 IonicContact OE2-NH2 3.65Å; E125-R167 PolarHBondContact OE2-NH2 3.4Å; N164-R167 HydrophobicContact CB-CB 4.16Å; N164-R167 HydrophobicContact CB-CG 4.12Å; N164-R167 PolarHBondContact O-N 2.83Å; N164-R167 VanDerWaalsContact O-N 3.1Å; N164-R167 PolarHBondContact OD1-N 2.85Å; V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 3.11Å; R167-K171 PolarHBondContact O-N 3.31Å
168L92Very high91.7Very high47 Ų4754.1 Ų54.125%0.24627%0.27CS..Hα-helixtrans-61.2-53172.1-175.776.4000110.3L160 N164 V165 Y170 K171 H172 F221L160-L168 HydrophobicContact CD1-CD1 3.53Å; N164-L168 PolarHBondContact O-N 2.89Å; N164-L168 VanDerWaalsContact O-N 3.13Å; V165-L168 WeakPolarHBondContact O-CB 3.4Å; V165-L168 PolarHBondContact O-N 3.24Å; L168-Y170 PolarHBondContact O-N 2.85Å; L168-K171 PolarHBondContact O-N 3.5Å; L168-H172 PolarHBondContact O-N 2.85Å; L168-F221 HydrophobicContact CD1-CE2 3.4Å; L168-F221 VanDerWaalsContact CD1-CE2 3.4Å; L168-F221 HydrophobicContact CD1-CZ 3.45Å; L168-F221 VanDerWaalsContact CD1-CZ 3.45Å; L168-F221 HydrophobicContact CG-CZ 4.22Å
169N93.1Very high91.7Very high82 Ų8256.7 Ų56.744%0.43928%0.282SS..Hα-helixtrans-61.4-43.6178.6-172.950.7000112.2V165 E166 K171 H172 L173V165-N169 PolarHBondContact O-N 3Å; E166-N169 PolarHBondContact O-N 3.4Å; N169-K171 VanDerWaalsContact C-N 3.31Å; N169-K171 PolarHBondContact O-N 3.37Å; N169-H172 PolarHBondContact O-N 3.36Å; N169-L173 PolarHBondContact O-N 3.3Å
170Y95Very high91.7Very high27 Ų2749.6 Ų49.611%0.10626%0.257CS..Hα-helixtrans-57.4-42.8176.2178.7-97.6000112.3L122 P158 E166 L168 F174L122-Y170 HydrophobicContact CD2-CD2 3.99Å; L122-Y170 HydrophobicContact CD2-CE2 3.82Å; L122-Y170 PolarHBondContact O-OH 2.91Å; L122-Y170 VanDerWaalsContact O-OH 3.12Å; P158-Y170 HydrophobicContact CB-CD1 3.97Å; P158-Y170 HydrophobicContact CB-CE1 4.04Å; P158-Y170 HydrophobicContact CG-CD1 3.68Å; P158-Y170 HydrophobicContact CG-CE1 3.44Å; P158-Y170 VanDerWaalsContact CG-CE1 3.44Å; E166-Y170 VanDerWaalsContact O-CB 3.29Å; E166-Y170 WeakPolarHBondContact O-CB 3.35Å; E166-Y170 PolarHBondContact O-N 2.82Å; L168-Y170 PolarHBondContact O-N 2.85Å; Y170-F174 VanDerWaalsContact O-CB 3.23Å; Y170-F174 WeakPolarHBondContact O-CB 3.48Å; Y170-F174 PolarHBondContact O-N 3.44Å
171K95.8Very high92.2Very high3 Ų348.5 Ų48.51%0.01325%0.252CS..Hα-helixtrans-64.5-40.7178.4-171.3177.6-179.1163.20111.8P158 R167 L168 N169 F174 Q175 N198 F221P158-K171 HydrophobicContact CB-CB 4.1Å; P158-K171 HydrophobicContact CB-CG 4.13Å; P158-K171 HydrophobicContact CG-CB 4.46Å; P158-K171 HydrophobicContact CG-CG 4.42Å; P158-K171 WeakPolarHBondContact O-CD 3.21Å; P158-K171 VanDerWaalsContact O-CE 3.24Å; P158-K171 WeakPolarHBondContact O-CE 3.5Å; P158-K171 PolarHBondContact O-NZ 3.06Å; R167-K171 PolarHBondContact O-N 3.31Å; L168-K171 PolarHBondContact O-N 3.5Å; N169-K171 VanDerWaalsContact C-N 3.31Å; N169-K171 PolarHBondContact O-N 3.37Å; K171-F174 PolarHBondContact O-N 3.48Å; K171-Q175 PolarHBondContact O-N 2.97Å; K171-N198 PolarHBondContact NZ-O 3.3Å; K171-F221 HydrophobicContact CB-CD1 4.28Å; K171-F221 HydrophobicContact CB-CE1 3.55Å; K171-F221 HydrophobicContact CB-CZ 4.03Å; K171-F221 HydrophobicContact CD-CD1 3.46Å; K171-F221 VanDerWaalsContact CD-CD1 3.46Å; K171-F221 HydrophobicContact CD-CD2 4.35Å; K171-F221 HydrophobicContact CD-CE1 3.51Å; K171-F221 HydrophobicContact CD-CE2 4.35Å; K171-F221 HydrophobicContact CD-CG 3.94Å; K171-F221 HydrophobicContact CD-CZ 3.96Å; K171-F221 HydrophobicContact CG-CD1 3.6Å; K171-F221 HydrophobicContact CG-CE1 3.39Å; K171-F221 HydrophobicContact CG-CZ 4.17Å
172H95.1Very high92.7Very high59 Ų5945.1 Ų45.127%0.27323%0.234SC..Hα-helixtrans-62-52.3176.3-82.5-54.3000111.8L168 N169 F174 Q175 S176 S220 F221L168-H172 PolarHBondContact O-N 2.85Å; N169-H172 PolarHBondContact O-N 3.36Å; H172-F174 VanDerWaalsContact C-N 3.26Å; H172-F174 PolarHBondContact O-N 2.7Å; H172-Q175 PolarHBondContact O-N 3.15Å; H172-S176 PolarHBondContact O-N 3.48Å; H172-S176 PolarHBondContact O-OG 3.23Å; H172-S220 PolarHBondContact CE1-OG 3.3Å; H172-S220 PolarHBondContact NE2-OG 3.02Å; H172-F221 HydrophobicContact CB-CE1 4.46Å; H172-F221 AromaticContact CD2-CE1 3.76Å; H172-F221 AromaticContact CD2-CZ 3.59Å; H172-F221 AromaticContact CE1-CD1 3.89Å; H172-F221 AromaticContact CE1-CE1 3.36Å; H172-F221 WeakPolarHBondContact CE1-CE1 3.16Å; H172-F221 AromaticContact CE1-CZ 3.51Å; H172-F221 AromaticContact CG-CE1 3.66Å; H172-F221 AromaticContact CG-CZ 3.99Å; H172-F221 AromaticContact ND1-CD1 4Å; H172-F221 AromaticContact ND1-CE1 3.42Å; H172-F221 WeakPolarHBondContact ND1-CE1 3.47Å; H172-F221 AromaticContact ND1-CZ 3.95Å; H172-F221 AromaticContact NE2-CE1 3.59Å; H172-F221 AromaticContact NE2-CE2 3.91Å; H172-F221 AromaticContact NE2-CZ 3.26Å; H172-F221 VanDerWaalsContact NE2-CZ 3.26Å; H172-F221 WeakPolarHBondContact NE2-CZ 3.39Å
173L96.9Very high93.6Very high25 Ų2545.3 Ų45.313%0.13123%0.229CC..Hα-helixtrans-59.7-38.7177.9-68.7177.3000112I114 L122 N169 S176 A177I114-L173 HydrophobicContact CG2-CD1 4.06Å; I114-L173 HydrophobicContact CG2-CD2 3.62Å; L122-L173 HydrophobicContact CD1-CB 4.41Å; L122-L173 HydrophobicContact CD2-CB 3.92Å; N169-L173 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-A177 WeakPolarHBondContact O-CB 3.2Å; L173-A177 PolarHBondContact O-N 2.92Å
174F97.9Very high94.2Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.6-46176.8-173-92000112.1L87 L122 R127 V128 I155 F157 P158 Y170 K171 H172 A177 V178L87-F174 HydrophobicContact CD1-CD2 4.36Å; L87-F174 HydrophobicContact CD1-CE2 4.27Å; L122-F174 HydrophobicContact CD2-CB 4.23Å; R127-F174 HydrophobicContact CB-CE2 3.71Å; R127-F174 HydrophobicContact CB-CZ 3.56Å; R127-F174 HydrophobicContact CG-CE2 4.47Å; R127-F174 HydrophobicContact CG-CZ 4.49Å; V128-F174 HydrophobicContact CG2-CE2 4.04Å; V128-F174 HydrophobicContact CG2-CZ 3.64Å; I155-F174 HydrophobicContact CG2-CE1 3.98Å; I155-F174 HydrophobicContact CG2-CZ 4.13Å; F157-F174 AromaticContact CD1-CD1 3.95Å; F157-F174 HydrophobicContact CD1-CD1 3.95Å; F157-F174 AromaticContact CD1-CE1 3.88Å; F157-F174 HydrophobicContact CD1-CE1 3.88Å; F157-F174 HydrophobicContact CE1-CD1 4.34Å; F157-F174 HydrophobicContact CE1-CE1 4.2Å; F157-F174 HydrophobicContact CG-CE1 4.28Å; P158-F174 VanDerWaalsContact CD-CD1 3.46Å; P158-F174 HydrophobicContact CG-CB 4.16Å; P158-F174 HydrophobicContact CG-CD1 4.09Å; P158-F174 HydrophobicContact CG-CG 4.03Å; Y170-F174 VanDerWaalsContact O-CB 3.23Å; Y170-F174 WeakPolarHBondContact O-CB 3.48Å; Y170-F174 PolarHBondContact O-N 3.44Å; K171-F174 PolarHBondContact O-N 3.48Å; H172-F174 VanDerWaalsContact C-N 3.26Å; H172-F174 PolarHBondContact O-N 2.7Å; F174-A177 PolarHBondContact O-N 3.25Å; F174-V178 HydrophobicContact CD1-CG2 3.97Å; F174-V178 HydrophobicContact CE1-CG2 3.61Å; F174-V178 HydrophobicContact CZ-CG2 3.91Å; F174-V178 WeakPolarHBondContact O-CB 3.42Å; F174-V178 VanDerWaalsContact O-CG2 3.3Å; F174-V178 WeakPolarHBondContact O-CG2 3.27Å; F174-V178 PolarHBondContact O-N 3.4Å
175Q97Very high94.5Very high3 Ų337.2 Ų37.21%0.01419%0.192CC..Hα-helixtrans-60-46175.4-80.8-178.2-30.900112.2F157 K171 H172 A177 V178 Q179 I199 F221 W224F157-Q175 HydrophobicContact CD1-CG 4.22Å; F157-Q175 HydrophobicContact CE1-CG 4.21Å; K171-Q175 PolarHBondContact O-N 2.97Å; H172-Q175 PolarHBondContact O-N 3.15Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 2.9Å; Q175-V178 PolarHBondContact O-N 3.37Å; Q175-Q179 WeakPolarHBondContact O-CB 3.29Å; Q175-Q179 PolarHBondContact O-N 3.13Å; Q175-I199 VanDerWaalsContact NE2-CD1 3.31Å; Q175-F221 PolarHBondContact NE2-O 2.97Å; Q175-W224 HydrophobicContact CB-CD2 3.83Å; Q175-W224 HydrophobicContact CB-CE3 4.32Å; Q175-W224 HydrophobicContact CB-CG 4.2Å; Q175-W224 HydrophobicContact CB-CH2 4.48Å; Q175-W224 HydrophobicContact CB-CZ2 4.01Å; Q175-W224 VanDerWaalsContact CD-CE3 3.46Å; Q175-W224 HydrophobicContact CG-CD2 3.78Å; Q175-W224 HydrophobicContact CG-CE3 3.76Å; Q175-W224 HydrophobicContact CG-CG 4.4Å; Q175-W224 HydrophobicContact CG-CH2 4.19Å; Q175-W224 HydrophobicContact CG-CZ2 4.2Å; Q175-W224 HydrophobicContact CG-CZ3 3.97Å; Q175-W224 WeakPolarHBondContact O-CZ2 3.32Å
176S96.6Very high94.8Very high44 Ų4432.4 Ų32.431%0.30816%0.163SC..Hα-helixtrans-63.4-40.1177.9-53.40000112L112 H172 L173 Q179 L180L112-S176 VanDerWaalsContact CD2-CB 3.5Å; H172-S176 PolarHBondContact O-N 3.48Å; H172-S176 PolarHBondContact O-OG 3.23Å; L173-S176 PolarHBondContact O-N 3.3Å; S176-Q179 PolarHBondContact O-N 3.35Å; S176-L180 WeakPolarHBondContact O-CG 3.35Å; S176-L180 PolarHBondContact O-N 3.45Å; S176-L180 VanDerWaalsContact O-N 3.08Å
177A97.4Very high94.8Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-66.6-42.1176.200000112.3L87 L108 L112 L122 L173 F174 Q175 Q179 L180 C181L87-A177 HydrophobicContact CD1-CB 3.94Å; L108-A177 HydrophobicContact CD1-CB 4.06Å; L108-A177 HydrophobicContact CD2-CB 3.71Å; L112-A177 HydrophobicContact CD1-CB 4.1Å; L122-A177 HydrophobicContact CD1-CB 3.79Å; L173-A177 WeakPolarHBondContact O-CB 3.2Å; L173-A177 PolarHBondContact O-N 2.92Å; F174-A177 PolarHBondContact O-N 3.25Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 2.9Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-L180 PolarHBondContact O-N 2.96Å; A177-C181 PolarHBondContact O-N 3.11Å; A177-C181 PolarHBondContact O-SG 3.17Å
178V97.5Very high94.7Very high2 Ų233 Ų331%0.01217%0.168CC..Hα-helixtrans-61.8-43.3174.5166.20000110.7L87 I155 F157 F174 Q175 L180 C181 I182L87-V178 HydrophobicContact CD2-CG2 3.85Å; I155-V178 HydrophobicContact CD1-CG1 3.91Å; F157-V178 HydrophobicContact CE1-CG1 4.26Å; F157-V178 HydrophobicContact CE1-CG2 4.49Å; F157-V178 HydrophobicContact CZ-CG1 4Å; F174-V178 HydrophobicContact CD1-CG2 3.97Å; F174-V178 HydrophobicContact CE1-CG2 3.61Å; F174-V178 HydrophobicContact CZ-CG2 3.91Å; F174-V178 WeakPolarHBondContact O-CB 3.42Å; F174-V178 VanDerWaalsContact O-CG2 3.3Å; F174-V178 WeakPolarHBondContact O-CG2 3.27Å; F174-V178 PolarHBondContact O-N 3.4Å; Q175-V178 PolarHBondContact O-N 3.37Å; V178-L180 PolarHBondContact O-N 3.22Å; V178-C181 WeakPolarHBondContact O-CB 3.46Å; V178-C181 PolarHBondContact O-N 3.49Å; V178-I182 HydrophobicContact CG1-CD1 3.49Å; V178-I182 VanDerWaalsContact CG1-CD1 3.49Å; V178-I182 HydrophobicContact CG1-CG1 4.23Å; V178-I182 WeakPolarHBondContact O-CD1 3.34Å; V178-I182 VanDerWaalsContact O-CG1 3.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.44Å; V178-I182 PolarHBondContact O-N 3.15Å
179Q95.8Very high94.8Very high55 Ų5531.4 Ų31.426%0.25716%0.161SC..Hα-helixtrans-58.1-48.1176176.9177.3-21.700111.8Q175 S176 A177 C181 I182 E183 W224Q175-Q179 WeakPolarHBondContact O-CB 3.29Å; Q175-Q179 PolarHBondContact O-N 3.13Å; S176-Q179 PolarHBondContact O-N 3.35Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; Q179-C181 VanDerWaalsContact C-N 3.28Å; Q179-C181 PolarHBondContact O-N 3.5Å; Q179-I182 PolarHBondContact O-N 2.84Å; Q179-E183 HydrophobicContact CG-CG 4.43Å; Q179-E183 VanDerWaalsContact CG-OE1 3.27Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.49Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CB 3.42Å; Q179-E183 WeakPolarHBondContact O-CG 3.15Å; Q179-E183 PolarHBondContact O-N 2.91Å; Q179-W224 HydrophobicContact CB-CZ2 4.4Å; Q179-W224 VanDerWaalsContact OE1-NE1 3.07Å
180L94.4Very high94.9Very high24 Ų2427.9 Ų27.913%0.12614%0.142CC..Hα-helixtrans-59.7-38.1176.5-71.4169.6000112.6F107 L108 K111 L112 S176 A177 V178 S184F107-L180 HydrophobicContact CE1-CB 4.18Å; F107-L180 HydrophobicContact CE1-CD1 4.13Å; F107-L180 HydrophobicContact CE1-CD2 4.28Å; F107-L180 HydrophobicContact CE1-CG 4.44Å; L108-L180 HydrophobicContact CD2-CD1 3.81Å; K111-L180 HydrophobicContact CB-CD1 3.71Å; K111-L180 HydrophobicContact CG-CD1 4.37Å; L112-L180 HydrophobicContact CD2-CD1 3.81Å; L112-L180 HydrophobicContact CG-CD1 4.12Å; S176-L180 WeakPolarHBondContact O-CG 3.35Å; S176-L180 PolarHBondContact O-N 3.45Å; S176-L180 VanDerWaalsContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 2.96Å; V178-L180 PolarHBondContact O-N 3.22Å; L180-S184 WeakPolarHBondContact O-CB 3.46Å; L180-S184 PolarHBondContact O-N 3.3Å; L180-S184 PolarHBondContact O-OG 3.01Å
181C95.5Very high95Very high2 Ų226.6 Ų26.61%0.01414%0.137CC..Hα-helixtrans-63.6-49.7174.7-67.80000111.1I90 A177 V178 Q179 S184 L185I90-C181 HydrophobicContact CB-CB 4.44Å; I90-C181 HydrophobicContact CG2-CB 3.75Å; A177-C181 PolarHBondContact O-N 3.11Å; A177-C181 PolarHBondContact O-SG 3.17Å; V178-C181 WeakPolarHBondContact O-CB 3.46Å; V178-C181 PolarHBondContact O-N 3.49Å; Q179-C181 VanDerWaalsContact C-N 3.28Å; Q179-C181 PolarHBondContact O-N 3.5Å; C181-S184 PolarHBondContact O-N 3.37Å; C181-L185 WeakPolarHBondContact O-CG 3.27Å; C181-L185 PolarHBondContact O-N 2.73Å
182I95.2Very high95.1Very high2 Ų226.5 Ų26.51%0.0114%0.136CC..Hα-helixtrans-60.5-47.7-179.6-68.5161.9000110.9L153 V178 Q179 S184 L185 L186 I193 L246 F249L153-I182 HydrophobicContact CD1-CG1 4.27Å; V178-I182 HydrophobicContact CG1-CD1 3.49Å; V178-I182 VanDerWaalsContact CG1-CD1 3.49Å; V178-I182 HydrophobicContact CG1-CG1 4.23Å; V178-I182 WeakPolarHBondContact O-CD1 3.34Å; V178-I182 VanDerWaalsContact O-CG1 3.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.44Å; V178-I182 PolarHBondContact O-N 3.15Å; Q179-I182 PolarHBondContact O-N 2.84Å; I182-S184 PolarHBondContact O-N 2.86Å; I182-L185 PolarHBondContact O-N 2.81Å; I182-L186 HydrophobicContact CG2-CD1 3.72Å; I182-L186 HydrophobicContact CG2-CG 4.2Å; I182-L186 WeakPolarHBondContact O-CB 3.47Å; I182-L186 VanDerWaalsContact O-CG 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.31Å; I182-L186 PolarHBondContact O-N 2.96Å; I182-I193 HydrophobicContact CD1-CD1 3.41Å; I182-I193 VanDerWaalsContact CD1-CD1 3.41Å; I182-I193 HydrophobicContact CG1-CD1 3.89Å; I182-I193 HydrophobicContact CG2-CD1 4.46Å; I182-L246 HydrophobicContact CG2-CD2 3.72Å; I182-F249 HydrophobicContact CG2-CE2 3.34Å; I182-F249 HydrophobicContact CG2-CZ 3.55Å
183E93.1Very high95.3Very high70 Ų7023.7 Ų23.733%0.32712%0.123SC..Hα-helixtrans-54.5-42.6176.8-80.2170.1-170.400111.8Q179 L246Q179-E183 HydrophobicContact CG-CG 4.43Å; Q179-E183 VanDerWaalsContact CG-OE1 3.27Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.49Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CB 3.42Å; Q179-E183 WeakPolarHBondContact O-CG 3.15Å; Q179-E183 PolarHBondContact O-N 2.91Å; E183-L246 HydrophobicContact CG-CD1 3.3Å
184S92.3Very high95.3Very high26 Ų2622.5 Ų22.518%0.18212%0.117CC..Hα-helixtrans-72.4-37-178.7-52.80000111.8S94 L180 C181 I182S94-S184 WeakPolarHBondContact OG-CB 3.47Å; L180-S184 WeakPolarHBondContact O-CB 3.46Å; L180-S184 PolarHBondContact O-N 3.3Å; L180-S184 PolarHBondContact O-OG 3.01Å; C181-S184 PolarHBondContact O-N 3.37Å; I182-S184 PolarHBondContact O-N 2.86Å
185L94.2Very high95.4Very high3 Ų322.5 Ų22.52%0.01612%0.117CC..Hα-helixtrans-69.6-39177.1-71.4180000113.2I90 I151 L153 C181 I182 I187 E188 N189 V191I90-L185 HydrophobicContact CG2-CD1 3.67Å; I90-L185 HydrophobicContact CG2-CD2 3.81Å; I90-L185 HydrophobicContact CG2-CG 3.67Å; I151-L185 HydrophobicContact CD1-CB 4.49Å; I151-L185 HydrophobicContact CD1-CD1 4.23Å; I151-L185 HydrophobicContact CD1-CD2 3.53Å; I151-L185 HydrophobicContact CD1-CG 4.28Å; I151-L185 HydrophobicContact CG2-CD1 4.12Å; L153-L185 HydrophobicContact CD1-CD1 4.03Å; L153-L185 HydrophobicContact CD2-CD1 4.15Å; L153-L185 HydrophobicContact CG-CD1 4.49Å; C181-L185 WeakPolarHBondContact O-CG 3.27Å; C181-L185 PolarHBondContact O-N 2.73Å; I182-L185 PolarHBondContact O-N 2.81Å; L185-I187 PolarHBondContact O-N 3.05Å; L185-I187 VanDerWaalsContact O-N 3.09Å; L185-E188 PolarHBondContact O-N 2.9Å; L185-N189 VanDerWaalsContact O-CB 3.32Å; L185-N189 WeakPolarHBondContact O-CB 3.28Å; L185-N189 PolarHBondContact O-N 2.79Å; L185-N189 VanDerWaalsContact O-N 3.09Å; L185-N189 PolarHBondContact O-ND2 2.67Å; L185-V191 HydrophobicContact CB-CG2 3.86Å
186L93.1Very high95.5Very high12 Ų1222.4 Ų22.46%0.06312%0.116CC..THydrogen-bonded Turntrans-65.1-11.3-176.7-76.3171.9000114.5R148 I182 V191 L246 R248 F249 D288R148-L186 PolarHBondContact NH1-O 3.03Å; I182-L186 HydrophobicContact CG2-CD1 3.72Å; I182-L186 HydrophobicContact CG2-CG 4.2Å; I182-L186 WeakPolarHBondContact O-CB 3.47Å; I182-L186 VanDerWaalsContact O-CG 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.31Å; I182-L186 PolarHBondContact O-N 2.96Å; L186-V191 HydrophobicContact CD2-CB 3.92Å; L186-V191 HydrophobicContact CD2-CG2 3.79Å; L186-V191 HydrophobicContact CG-CG2 4.14Å; L186-L246 HydrophobicContact CD1-CD2 4.04Å; L186-R248 HydrophobicContact CD1-CB 4.04Å; L186-R248 HydrophobicContact CD1-CG 4.39Å; L186-F249 HydrophobicContact CD1-CE2 3.85Å; L186-F249 HydrophobicContact CD1-CZ 4.12Å; L186-F249 HydrophobicContact CD2-CZ 4.17Å; L186-F249 HydrophobicContact CG-CZ 4.47Å; L186-D288 HydrophobicContact CD2-CB 3.7Å
187I91.1Very high95.6Very high86 Ų8620.3 Ų20.344%0.44110%0.102SC..THydrogen-bonded Turntrans-62-50.7177.9-59176.7000109.8R148 L185R148-I187 PolarHBondContact NH1-O 2.79Å; L185-I187 PolarHBondContact O-N 3.05Å; L185-I187 VanDerWaalsContact O-N 3.09Å
188E90.2Very high95.6Very high120 Ų12021.5 Ų21.556%0.56111%0.108SC*.THydrogen-bonded Turntrans-117.7-9-172.1-59.3-174.4164.800113.9L185L185-E188 PolarHBondContact O-N 2.9Å
189N93.6Very high95.5Very high15 Ų1521.8 Ų21.88%0.0811%0.11CC..SBendtrans-121.6154.7-172.1-52.6-89.2000111.5Q132 P149 I151 L185 V191Q132-N189 PolarHBondContact NE2-OD1 3.4Å; Q132-N189 VanDerWaalsContact NE2-OD1 3.08Å; P149-N189 WeakPolarHBondContact O-CA 3.14Å; I151-N189 HydrophobicContact CD1-CB 3.78Å; I151-N189 VanDerWaalsContact CD1-CG 3.43Å; I151-N189 HydrophobicContact CG1-CB 4.09Å; L185-N189 VanDerWaalsContact O-CB 3.32Å; L185-N189 WeakPolarHBondContact O-CB 3.28Å; L185-N189 PolarHBondContact O-N 2.79Å; L185-N189 VanDerWaalsContact O-N 3.09Å; L185-N189 PolarHBondContact O-ND2 2.67Å; N189-V191 HydrophobicContact CB-CG2 4.43Å
190N94.6Very high95.6Very high8 Ų819.8 Ų19.84%0.04310%0.101CC..EExtended strand (participates in β ladder)trans-84.2138.7156.4-70.2-5.9000108.3R148 P149 L150 I151 D288 L291 Y325R148-N190 WeakPolarHBondContact CD-OD1 3.26Å; P149-N190 PolarHBondContact O-N 2.97Å; L150-N190 CarbonylContact C-O 3.37Å; L150-N190 WeakPolarHBondContact CA-O 3.32Å; L150-N190 HydrophobicContact CD1-CB 4.33Å; I151-N190 PolarHBondContact N-O 3.34Å; N190-D288 VanDerWaalsContact C-OD2 3.32Å; N190-D288 WeakPolarHBondContact CA-OD2 2.99Å; N190-L291 HydrophobicContact CB-CD1 4.19Å; N190-L291 HydrophobicContact CB-CD2 3.94Å; N190-L291 HydrophobicContact CB-CG 3.9Å; N190-Y325 PolarHBondContact ND2-OH 3.16Å
191V96.9Very high95.6Very high0 Ų018.8 Ų18.80%010%0.096CC..EExtended strand (participates in β ladder)trans-127130-172.1-177.30000110.2I151 L153 L185 L186 N189 I193 F249 D288I151-V191 CarbonylContact O-C 3.59Å; I151-V191 WeakPolarHBondContact O-CA 3.49Å; L153-V191 HydrophobicContact CD1-CG1 4.11Å; L153-V191 HydrophobicContact CG-CG1 4.38Å; L185-V191 HydrophobicContact CB-CG2 3.86Å; L186-V191 HydrophobicContact CD2-CB 3.92Å; L186-V191 HydrophobicContact CD2-CG2 3.79Å; L186-V191 HydrophobicContact CG-CG2 4.14Å; N189-V191 HydrophobicContact CB-CG2 4.43Å; V191-I193 HydrophobicContact CG1-CG1 4.09Å; V191-F249 HydrophobicContact CB-CE1 4.33Å; V191-F249 HydrophobicContact CB-CZ 4.18Å; V191-F249 HydrophobicContact CG1-CE1 4.21Å; V191-F249 HydrophobicContact CG1-CZ 4.06Å; V191-D288 PolarHBondContact N-OD2 2.73Å; V191-D288 PolarHBondContact O-N 3.36Å; V191-D288 VanDerWaalsContact O-N 3.15Å
192V98.4Very high95.6Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-114.6132.2169.1174.80000107.8I6 L150 I151 V152 L153 I285 L286 F287 L291 L323I6-V192 HydrophobicContact CD1-CG1 3.64Å; L150-V192 HydrophobicContact CD1-CG2 3.78Å; I151-V192 PolarHBondContact O-N 2.82Å; V152-V192 HydrophobicContact CG2-CB 4.3Å; L153-V192 PolarHBondContact N-O 3.04Å; V192-I285 HydrophobicContact CG1-CG2 4.14Å; V192-L286 CarbonylContact C-O 3.39Å; V192-L286 WeakPolarHBondContact CA-O 3.47Å; V192-F287 HydrophobicContact CB-CD1 4.29Å; V192-F287 HydrophobicContact CG1-CD1 3.83Å; V192-F287 HydrophobicContact CG1-CE1 3.79Å; V192-F287 HydrophobicContact CG2-CD1 3.73Å; V192-F287 HydrophobicContact CG2-CE1 4.02Å; V192-L291 HydrophobicContact CG2-CD1 3.52Å; V192-L323 HydrophobicContact CG2-CD2 3.55Å
193I98.7Very high95.6Very high1 Ų122.7 Ų22.71%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-115.3120.1175.5-51170.3000108L153 I155 I182 V191 F197 L228 F249 I285 L286L153-I193 HydrophobicContact CD1-CG1 4.37Å; I155-I193 HydrophobicContact CD1-CG2 3.84Å; I155-I193 HydrophobicContact CG1-CG2 4.28Å; I182-I193 HydrophobicContact CD1-CD1 3.41Å; I182-I193 VanDerWaalsContact CD1-CD1 3.41Å; I182-I193 HydrophobicContact CG1-CD1 3.89Å; I182-I193 HydrophobicContact CG2-CD1 4.46Å; V191-I193 HydrophobicContact CG1-CG1 4.09Å; I193-F197 HydrophobicContact CG2-CE2 4.15Å; I193-F197 HydrophobicContact CG2-CZ 3.73Å; I193-L228 HydrophobicContact CD1-CD2 4.47Å; I193-F249 HydrophobicContact CD1-CD1 4.07Å; I193-F249 HydrophobicContact CD1-CD2 4.47Å; I193-F249 HydrophobicContact CD1-CE1 3.6Å; I193-F249 HydrophobicContact CD1-CE2 4.05Å; I193-F249 HydrophobicContact CD1-CG 4.49Å; I193-F249 HydrophobicContact CD1-CZ 3.59Å; I193-F249 HydrophobicContact CG1-CD1 4.45Å; I193-F249 HydrophobicContact CG1-CE1 3.83Å; I193-F249 HydrophobicContact CG1-CZ 4.17Å; I193-I285 CarbonylContact O-C 3.41Å; I193-I285 WeakPolarHBondContact O-CA 3.3Å; I193-L286 HydrophobicContact CB-CB 4.32Å; I193-L286 PolarHBondContact N-O 3.3Å; I193-L286 PolarHBondContact O-N 3.1Å
194A98.9Very high95.8Very high0 Ų021.7 Ų21.70%011%0.11CC..EExtended strand (participates in β ladder)trans-125.5132.4179.800000109.5I6 C34 L153 S154 I155 Y284 I285I6-A194 HydrophobicContact CD1-CB 3.7Å; I6-A194 HydrophobicContact CG1-CB 4.42Å; C34-A194 HydrophobicContact CB-CB 4.17Å; L153-A194 PolarHBondContact O-N 3.3Å; L153-A194 VanDerWaalsContact O-O 3.14Å; S154-A194 VanDerWaalsContact CA-O 3.26Å; S154-A194 WeakPolarHBondContact CA-O 3.27Å; I155-A194 PolarHBondContact N-O 3.35Å; A194-Y284 WeakPolarHBondContact CA-O 3.48Å; A194-I285 HydrophobicContact CB-CG1 4.06Å
195G98.7Very high96.1Very high0 Ų020.5 Ų20.50%010%0.102CC..EExtended strand (participates in β ladder)trans162.1-177.6177.100000116S8 I155 D283 Y284S8-G195 VanDerWaalsContact OG-CA 3.23Å; S8-G195 WeakPolarHBondContact OG-CA 3.37Å; S8-G195 PolarHBondContact OG-N 3.16Å; S8-G195 VanDerWaalsContact OG-N 3.16Å; I155-G195 VanDerWaalsContact O-CA 3.26Å; I155-G195 WeakPolarHBondContact O-CA 3.41Å; G195-D283 WeakPolarHBondContact O-CA 3.38Å; G195-Y284 PolarHBondContact N-O 3.13Å; G195-Y284 PolarHBondContact O-N 2.67Å
196D98.7Very high96.2Very high0 Ų021.9 Ų21.90%011%0.108CC..EExtended strand (participates in β ladder)trans-89.6109.4170.2173.87.7000109.1N10 I155 Y156 F157 N198 H316N10-D196 HydrophobicContact CB-CB 4.14Å; N10-D196 PolarHBondContact ND2-OD2 3.13Å; I155-D196 PolarHBondContact O-N 3.14Å; Y156-D196 HydrophobicContact CD2-CB 4.09Å; Y156-D196 HydrophobicContact CE2-CB 4.5Å; Y156-D196 WeakPolarHBondContact CE2-OD2 3.49Å; F157-D196 PolarHBondContact N-O 3.15Å; D196-N198 VanDerWaalsContact C-N 3.3Å; D196-N198 WeakPolarHBondContact OD1-CA 3.28Å; D196-N198 PolarHBondContact OD1-N 2.99Å; D196-N198 PolarHBondContact OD1-ND2 2.91Å; D196-N198 VanDerWaalsContact OD1-ND2 3.16Å; D196-N198 PolarHBondContact OD2-ND2 3.24Å; D196-H316 IonicContact OD2-CE1 3.77Å; D196-H316 PolarHBondContact OD2-CE1 3.36Å
197F98.6Very high96.4Very high0 Ų022.8 Ų22.80%012%0.115CC..  trans-79.1-14.5179.8-81.9-111.3000112.8F157 I193 I199 W224 F225 L228 L282 Y284 L286F157-F197 WeakPolarHBondContact CB-O 3.4Å; F157-F197 HydrophobicContact CD2-CB 4.22Å; F157-F197 AromaticContact CD2-CD1 3.94Å; F157-F197 HydrophobicContact CD2-CD1 3.94Å; F157-F197 HydrophobicContact CD2-CD2 4.23Å; F157-F197 HydrophobicContact CD2-CE1 4.37Å; F157-F197 AromaticContact CD2-CG 3.88Å; F157-F197 HydrophobicContact CD2-CG 3.88Å; F157-F197 AromaticContact CE2-CD1 3.53Å; F157-F197 HydrophobicContact CE2-CD1 3.53Å; F157-F197 HydrophobicContact CE2-CD2 4.06Å; F157-F197 AromaticContact CE2-CE1 3.52Å; F157-F197 HydrophobicContact CE2-CE1 3.52Å; F157-F197 HydrophobicContact CE2-CE2 4.05Å; F157-F197 AromaticContact CE2-CG 3.83Å; F157-F197 HydrophobicContact CE2-CG 3.83Å; F157-F197 AromaticContact CE2-CZ 3.8Å; F157-F197 HydrophobicContact CE2-CZ 3.8Å; F157-F197 AromaticContact CZ-CD1 3.88Å; F157-F197 HydrophobicContact CZ-CD1 3.88Å; F157-F197 AromaticContact CZ-CE1 3.69Å; F157-F197 HydrophobicContact CZ-CE1 3.69Å; F157-F197 HydrophobicContact CZ-CZ 4.27Å; I193-F197 HydrophobicContact CG2-CE2 4.15Å; I193-F197 HydrophobicContact CG2-CZ 3.73Å; F197-I199 HydrophobicContact CB-CB 4.3Å; F197-I199 HydrophobicContact CB-CD1 4.49Å; F197-I199 WeakPolarHBondContact O-CG1 3.33Å; F197-I199 PolarHBondContact O-N 2.71Å; F197-I199 VanDerWaalsContact O-N 3.15Å; F197-W224 HydrophobicContact CD1-CZ3 4.34Å; F197-W224 HydrophobicContact CE1-CZ3 4.35Å; F197-F225 AromaticContact CD1-CD2 3.43Å; F197-F225 HydrophobicContact CD1-CD2 3.43Å; F197-F225 VanDerWaalsContact CD1-CD2 3.43Å; F197-F225 AromaticContact CD1-CE2 3.4Å; F197-F225 HydrophobicContact CD1-CE2 3.4Å; F197-F225 AromaticContact CE1-CD2 3.62Å; F197-F225 HydrophobicContact CE1-CD2 3.62Å; F197-F225 AromaticContact CE1-CE2 3.4Å; F197-F225 HydrophobicContact CE1-CE2 3.4Å; F197-F225 VanDerWaalsContact CE1-CE2 3.4Å; F197-F225 HydrophobicContact CG-CD2 4.35Å; F197-F225 HydrophobicContact CG-CE2 4.03Å; F197-F225 HydrophobicContact CZ-CE2 4.03Å; F197-L228 HydrophobicContact CE1-CD2 4.37Å; F197-L282 PolarHBondContact N-O 3.17Å; F197-Y284 HydrophobicContact CB-CD2 3.83Å; F197-Y284 HydrophobicContact CB-CE2 3.98Å; F197-Y284 AromaticContact CD2-CD2 3.66Å; F197-Y284 HydrophobicContact CD2-CD2 3.66Å; F197-Y284 HydrophobicContact CD2-CG 4.2Å; F197-Y284 HydrophobicContact CE2-CD2 4.46Å; F197-Y284 AromaticContact CG-CD2 3.88Å; F197-Y284 HydrophobicContact CG-CD2 3.88Å; F197-Y284 HydrophobicContact CG-CE2 4.45Å; F197-L286 HydrophobicContact CE1-CD1 4.15Å; F197-L286 HydrophobicContact CE2-CD1 4.47Å; F197-L286 HydrophobicContact CZ-CD1 3.65Å; F197-L286 HydrophobicContact CZ-CG 4.24Å
198N97.6Very high96.5Very high25 Ų2519.5 Ų19.513%0.13410%0.1CC..SBendtrans48.937-170.8-84.3-85.4000111.6Y156 F157 K171 D196Y156-N198 WeakPolarHBondContact CE2-ND2 3.33Å; F157-N198 PolarHBondContact O-ND2 3.19Å; K171-N198 PolarHBondContact NZ-O 3.3Å; D196-N198 VanDerWaalsContact C-N 3.3Å; D196-N198 WeakPolarHBondContact OD1-CA 3.28Å; D196-N198 PolarHBondContact OD1-N 2.99Å; D196-N198 PolarHBondContact OD1-ND2 2.91Å; D196-N198 VanDerWaalsContact OD1-ND2 3.16Å; D196-N198 PolarHBondContact OD2-ND2 3.24Å
199I96.7Very high96.6Very high9 Ų916.2 Ų16.25%0.0469%0.09CC..  trans-138.7126.7179.7-65.1160.8000107.5Q175 F197 F221 R222 W224 F225 Y284Q175-I199 VanDerWaalsContact NE2-CD1 3.31Å; F197-I199 HydrophobicContact CB-CB 4.3Å; F197-I199 HydrophobicContact CB-CD1 4.49Å; F197-I199 WeakPolarHBondContact O-CG1 3.33Å; F197-I199 PolarHBondContact O-N 2.71Å; F197-I199 VanDerWaalsContact O-N 3.15Å; I199-F221 HydrophobicContact CD1-CB 4.24Å; I199-F221 HydrophobicContact CG1-CB 4.22Å; I199-R222 HydrophobicContact CG2-CB 4.32Å; I199-W224 HydrophobicContact CD1-CE3 4.35Å; I199-W224 HydrophobicContact CD1-CZ3 4.48Å; I199-F225 HydrophobicContact CD1-CB 4.05Å; I199-F225 HydrophobicContact CG2-CB 4.08Å; I199-F225 HydrophobicContact CG2-CD1 4.35Å; I199-F225 HydrophobicContact CG2-CG 4.32Å; I199-Y284 VanDerWaalsContact O-CE2 3.28Å; I199-Y284 WeakPolarHBondContact O-CE2 3.31Å; I199-Y284 PolarHBondContact O-OH 3.14Å
200C96.5Very high96.4Very high12 Ų1221.8 Ų21.88%0.08112%0.12CC..  trans-91.5116.8167.6-173.30000107.6D205 L212 L282C200-D205 VanDerWaalsContact SG-CB 3.56Å; C200-D205 PolarHBondContact SG-O 3.12Å; C200-D205 VanDerWaalsContact SG-O 3.36Å; C200-L212 HydrophobicContact CB-CD1 4.19Å; C200-L212 HydrophobicContact CB-CD2 4.28Å; C200-L282 HydrophobicContact CB-CD2 4.22Å
201H96Very high96.2Very high3 Ų327.3 Ų27.31%0.01415%0.145CC..  trans-75.4-64.7-170-179.4-153000113.1R222 F225 D226 L229 Q233 Y284H201-R222 VanDerWaalsContact O-CD 3.28Å; H201-R222 WeakPolarHBondContact O-CD 3.23Å; H201-R222 PolarHBondContact O-NE 3.18Å; H201-F225 HydrophobicContact CB-CD1 3.76Å; H201-F225 HydrophobicContact CB-CE1 3.57Å; H201-F225 AromaticContact CD2-CD1 3.77Å; H201-F225 AromaticContact CG-CD1 3.66Å; H201-F225 AromaticContact CG-CE1 3.57Å; H201-F225 AromaticContact ND1-CE1 3.83Å; H201-D226 IonicContact CD2-OD1 3.86Å; H201-D226 IonicContact CE1-OD1 3.8Å; H201-D226 IonicContact NE2-OD1 3.84Å; H201-D226 PolarHBondContact NE2-OD1 2.88Å; H201-L229 WeakPolarHBondContact CE1-CD1 3.34Å; H201-Q233 PolarHBondContact CE1-O 2.8Å; H201-Y284 HydrophobicContact CB-CE1 4.19Å; H201-Y284 PolarHBondContact N-OH 3.19Å; H201-Y284 VanDerWaalsContact N-OH 3.08Å
202K95.2Very high95.7Very high53 Ų5328 Ų2823%0.2315%0.149CC..SBendtrans-108.8164.4-177.1-68.4-172.3174.4-172.10111.8I204 D205 Q233 Q234 D235K202-I204 HydrophobicContact CB-CG2 3.88Å; K202-I204 PolarHBondContact O-N 2.69Å; K202-D205 PolarHBondContact N-OD2 3.18Å; K202-D205 VanDerWaalsContact N-OD2 3.14Å; K202-D205 VanDerWaalsContact O-CB 3.25Å; K202-D205 WeakPolarHBondContact O-CB 3.26Å; K202-D205 PolarHBondContact O-N 3.08Å; K202-Q233 WeakPolarHBondContact CE-O 3.49Å; K202-Q233 PolarHBondContact NZ-O 3.34Å; K202-Q234 WeakPolarHBondContact CE-O 3.46Å; K202-Q234 PolarHBondContact NZ-O 2.96Å; K202-D235 HydrophobicContact CG-CB 4.28Å
203M95.4Very high95.1Very high33 Ų3332.9 Ų32.916%0.16317%0.173CC..G310 helixtrans-56-37.9174.5-68.5-56.8143.300113.4D205 H206 P209 L212 M213M203-D205 PolarHBondContact O-N 3.44Å; M203-D205 VanDerWaalsContact O-N 3.16Å; M203-H206 PolarHBondContact O-N 3.08Å; M203-H206 VanDerWaalsContact O-N 3.14Å; M203-P209 HydrophobicContact CB-CB 4.05Å; M203-P209 HydrophobicContact CG-CB 4.44Å; M203-P209 HydrophobicContact SD-CB 3.93Å; M203-L212 HydrophobicContact CE-CB 4.06Å; M203-L212 HydrophobicContact CE-CD2 3.78Å; M203-L212 HydrophobicContact CE-CG 3.74Å; M203-L212 HydrophobicContact SD-CB 4.01Å; M203-L212 HydrophobicContact SD-CD2 3.94Å; M203-L212 HydrophobicContact SD-CG 4.19Å; M203-M213 HydrophobicContact CE-CB 4.3Å; M203-M213 HydrophobicContact CE-CE 3.57Å; M203-M213 HydrophobicContact CE-CG 3.46Å; M203-M213 VanDerWaalsContact CE-CG 3.46Å; M203-M213 HydrophobicContact CE-SD 3.26Å; M203-M213 WeakPolarHBondContact CE-SD 3.33Å; M203-M213 HydrophobicContact CG-CE 3.76Å; M203-M213 HydrophobicContact SD-CE 3.92Å; M203-M213 HydrophobicContact SD-CG 3.65Å; M203-M213 HydrophobicContact SD-SD 4.1Å
204I96.7Very high94.5Very high50 Ų5040.3 Ų40.326%0.25621%0.209SC..G310 helixtrans-63.2-18.6177.1-168.4167.1000113.4K202 K261K202-I204 HydrophobicContact CB-CG2 3.88Å; K202-I204 PolarHBondContact O-N 2.69Å; I204-K261 HydrophobicContact CD1-CG 3.89Å; I204-K261 HydrophobicContact CG1-CG 4.04Å
205D97.8Very high93.8Very high0 Ų042.7 Ų42.70%022%0.222CC..G310 helixtrans-88.7-2.2-179.8-65.2-43.3000112.9C200 K202 M203 R254 F264 V280 R281C200-D205 VanDerWaalsContact SG-CB 3.56Å; C200-D205 PolarHBondContact SG-O 3.12Å; C200-D205 VanDerWaalsContact SG-O 3.36Å; K202-D205 PolarHBondContact N-OD2 3.18Å; K202-D205 VanDerWaalsContact N-OD2 3.14Å; K202-D205 VanDerWaalsContact O-CB 3.25Å; K202-D205 WeakPolarHBondContact O-CB 3.26Å; K202-D205 PolarHBondContact O-N 3.08Å; M203-D205 PolarHBondContact O-N 3.44Å; M203-D205 VanDerWaalsContact O-N 3.16Å; D205-R254 IonicContact OD1-CZ 2.86Å; D205-R254 VanDerWaalsContact OD1-CZ 3.31Å; D205-R254 IonicContact OD1-NE 3.22Å; D205-R254 PolarHBondContact OD1-NE 2.86Å; D205-R254 VanDerWaalsContact OD1-NE 3.13Å; D205-R254 IonicContact OD1-NH2 3.41Å; D205-R254 PolarHBondContact OD1-NH2 2.89Å; D205-F264 WeakPolarHBondContact O-CD1 3.22Å; D205-F264 WeakPolarHBondContact O-CE1 3.06Å; D205-V280 CarbonylContact O-C 3.54Å; D205-V280 WeakPolarHBondContact O-CA 3.45Å; D205-R281 HydrophobicContact CB-CB 3.93Å; D205-R281 PolarHBondContact O-N 2.98Å; D205-R281 IonicContact OD1-NH1 3.53Å; D205-R281 IonicContact OD2-NH1 3.31Å
206H97.3Very high93.1Very high33 Ų3351.4 Ų51.415%0.15326%0.26CS..BIsolated β-bridgetrans-118.2134.8-178.8-155.3-91.2000111.8M203 A208 L212 V280M203-H206 PolarHBondContact O-N 3.08Å; M203-H206 VanDerWaalsContact O-N 3.14Å; H206-A208 PolarHBondContact CE1-O 2.78Å; H206-A208 VanDerWaalsContact ND1-C 3.26Å; H206-A208 PolarHBondContact ND1-N 3.31Å; H206-A208 VanDerWaalsContact ND1-N 3.14Å; H206-A208 PolarHBondContact ND1-O 3.22Å; H206-A208 PolarHBondContact O-N 3.05Å; H206-L212 HydrophobicContact CB-CB 4.32Å; H206-L212 HydrophobicContact CB-CD2 4.13Å; H206-V280 WeakPolarHBondContact CD2-CG1 3.48Å; H206-V280 WeakPolarHBondContact NE2-CG1 3.45Å
207C96.2Very high92.3Very high31 Ų3157.3 Ų57.321%0.20929%0.286CS..SBendtrans-66.8-18.4175.958.50000114.7F264 Y278 G279C207-F264 HydrophobicContact CB-CE1 4.5Å; C207-F264 HydrophobicContact CB-CE2 3.88Å; C207-F264 HydrophobicContact CB-CZ 3.82Å; C207-Y278 HydrophobicContact CB-CD1 4.3Å; C207-Y278 HydrophobicContact CB-CD2 3.73Å; C207-Y278 HydrophobicContact CB-CE1 4.42Å; C207-Y278 HydrophobicContact CB-CE2 3.89Å; C207-Y278 HydrophobicContact CB-CG 3.97Å; C207-Y278 VanDerWaalsContact SG-CD1 3.54Å; C207-Y278 WeakPolarHBondContact SG-CE1 3.26Å; C207-G279 WeakPolarHBondContact CB-O 3.36Å; C207-G279 PolarHBondContact N-O 3.23Å; C207-G279 PolarHBondContact SG-O 3.08Å
208A93.9Very high91.7Very high16 Ų1658.7 Ų58.713%0.13230%0.296CS..SBendtrans-133.480.6174.900000110H206 D210 E211H206-A208 PolarHBondContact CE1-O 2.78Å; H206-A208 VanDerWaalsContact ND1-C 3.26Å; H206-A208 PolarHBondContact ND1-N 3.31Å; H206-A208 VanDerWaalsContact ND1-N 3.14Å; H206-A208 PolarHBondContact ND1-O 3.22Å; H206-A208 PolarHBondContact O-N 3.05Å; A208-D210 PolarHBondContact O-N 3.36Å; A208-E211 HydrophobicContact CB-CB 4.24Å; A208-E211 HydrophobicContact CB-CG 3.85Å; A208-E211 WeakPolarHBondContact O-CB 3.42Å; A208-E211 PolarHBondContact O-N 3.22Å
209P91.6Very high91.4Very high52 Ų5260.1 Ų60.134%0.33830%0.303SS..Hα-helixtrans-53.7-37.5-173.1-30.537.5000114.5M203 E211 L212 M213M203-P209 HydrophobicContact CB-CB 4.05Å; M203-P209 HydrophobicContact CG-CB 4.44Å; M203-P209 HydrophobicContact SD-CB 3.93Å; P209-E211 PolarHBondContact O-N 2.99Å; P209-L212 WeakPolarHBondContact O-CB 3.34Å; P209-L212 PolarHBondContact O-N 3.02Å; P209-M213 PolarHBondContact O-N 2.73Å
210D91.1Very high91.1Very high132 Ų13261.8 Ų61.871%0.70632%0.315SS*.Hα-helixtrans-62.4-32.4179.3-58.8-28.6000112.4A208 L212 M213 M214A208-D210 PolarHBondContact O-N 3.36Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-M213 PolarHBondContact O-N 3.4Å; D210-M214 VanDerWaalsContact O-CG 3.23Å; D210-M214 WeakPolarHBondContact O-CG 3.42Å; D210-M214 PolarHBondContact O-N 2.74Å; D210-M214 VanDerWaalsContact O-N 3.16Å
211E88.6Confident91Very high123 Ų12361.3 Ų61.358%0.57531%0.312SS*.Hα-helixtrans-66.8-38175.1-65.1-176.8-177.300111.3A208 P209 M214 D215A208-E211 HydrophobicContact CB-CB 4.24Å; A208-E211 HydrophobicContact CB-CG 3.85Å; A208-E211 WeakPolarHBondContact O-CB 3.42Å; A208-E211 PolarHBondContact O-N 3.22Å; P209-E211 PolarHBondContact O-N 2.99Å; E211-M214 PolarHBondContact O-N 3.31Å; E211-D215 PolarHBondContact O-N 3.39Å
212L87.9Confident90.9Very high15 Ų1561.6 Ų61.68%0.07931%0.313CS..Hα-helixtrans-68.3-40.2177-177.963.7000111.3C200 M203 H206 P209 D210 M214 D215C200-L212 HydrophobicContact CB-CD1 4.19Å; C200-L212 HydrophobicContact CB-CD2 4.28Å; M203-L212 HydrophobicContact CE-CB 4.06Å; M203-L212 HydrophobicContact CE-CD2 3.78Å; M203-L212 HydrophobicContact CE-CG 3.74Å; M203-L212 HydrophobicContact SD-CB 4.01Å; M203-L212 HydrophobicContact SD-CD2 3.94Å; M203-L212 HydrophobicContact SD-CG 4.19Å; H206-L212 HydrophobicContact CB-CB 4.32Å; H206-L212 HydrophobicContact CB-CD2 4.13Å; P209-L212 WeakPolarHBondContact O-CB 3.34Å; P209-L212 PolarHBondContact O-N 3.02Å; D210-L212 VanDerWaalsContact C-N 3.34Å; L212-M214 VanDerWaalsContact C-N 3.29Å; L212-M214 PolarHBondContact O-N 3.27Å; L212-D215 PolarHBondContact O-N 3.08Å
213M86.1Confident90.8Very high102 Ų10261.2 Ų61.250%0.50231%0.312SS..Hα-helixtrans-60-39175.2-78.9-63.6-170.800112.5M203 P209 D210 D215M203-M213 HydrophobicContact CE-CB 4.3Å; M203-M213 HydrophobicContact CE-CE 3.57Å; M203-M213 HydrophobicContact CE-CG 3.46Å; M203-M213 VanDerWaalsContact CE-CG 3.46Å; M203-M213 HydrophobicContact CE-SD 3.26Å; M203-M213 WeakPolarHBondContact CE-SD 3.33Å; M203-M213 HydrophobicContact CG-CE 3.76Å; M203-M213 HydrophobicContact SD-CE 3.92Å; M203-M213 HydrophobicContact SD-CG 3.65Å; M203-M213 HydrophobicContact SD-SD 4.1Å; P209-M213 PolarHBondContact O-N 2.73Å; D210-M213 PolarHBondContact O-N 3.4Å; M213-D215 VanDerWaalsContact C-N 3.31Å
214M85.5Confident90.7Very high158 Ų15860.7 Ų60.778%0.77831%0.308SS*.Hα-helixtrans-80.9-11.9-177.3-64.5-66-77.900113.1D210 E211 L212 K216D210-M214 VanDerWaalsContact O-CG 3.23Å; D210-M214 WeakPolarHBondContact O-CG 3.42Å; D210-M214 PolarHBondContact O-N 2.74Å; D210-M214 VanDerWaalsContact O-N 3.16Å; E211-M214 PolarHBondContact O-N 3.31Å; L212-M214 VanDerWaalsContact C-N 3.29Å; L212-M214 PolarHBondContact O-N 3.27Å; M214-K216 PolarHBondContact O-N 2.85Å
215D84.3Confident90.7Very high50 Ų5058.3 Ų58.327%0.26730%0.296SS..  trans-8181.1-179-172.34.3000112.6E211 L212 M213 F217 S218 N219E211-D215 PolarHBondContact O-N 3.39Å; L212-D215 PolarHBondContact O-N 3.08Å; M213-D215 VanDerWaalsContact C-N 3.31Å; D215-F217 PolarHBondContact O-N 3.16Å; D215-F217 PolarHBondContact OD1-N 3.14Å; D215-F217 VanDerWaalsContact OD1-N 3.11Å; D215-S218 PolarHBondContact O-N 3.39Å; D215-S218 PolarHBondContact OD1-N 3Å; D215-S218 WeakPolarHBondContact OD2-CB 3.27Å; D215-S218 PolarHBondContact OD2-OG 3.39Å; D215-N219 PolarHBondContact O-N 3.16Å
216K83.9Confident90.6Very high182 Ų18258.3 Ų58.379%0.79130%0.296SS*.THydrogen-bonded Turntrans-62.5-25.4175.5-62.9-172.5179.4-173.70113.6M214 N219M214-K216 PolarHBondContact O-N 2.85Å; K216-N219 WeakPolarHBondContact O-CB 3.34Å; K216-N219 PolarHBondContact O-N 2.87Å
217F82.4Confident90.4Very high124 Ų12459 Ų5954%0.54430%0.299SS..THydrogen-bonded Turntrans-74.4-33.9-177.8-64.7-80.2000111.9L160 P162 D215 N219 F221L160-F217 HydrophobicContact CD2-CB 4.24Å; P162-F217 HydrophobicContact CB-CD2 4.34Å; P162-F217 HydrophobicContact CB-CG 4.25Å; D215-F217 PolarHBondContact O-N 3.16Å; D215-F217 PolarHBondContact OD1-N 3.14Å; D215-F217 VanDerWaalsContact OD1-N 3.11Å; F217-N219 VanDerWaalsContact C-N 3.33Å; F217-F221 WeakPolarHBondContact O-CE2 3.46Å
218S85.9Confident90.3Very high30 Ų3057.7 Ų57.721%0.2129%0.29CS..THydrogen-bonded Turntrans-80.5-14.4177-650000113.4L160 D215 S220 F221 R222L160-S218 VanDerWaalsContact CD2-OG 3.26Å; L160-S218 WeakPolarHBondContact CD2-OG 3.37Å; D215-S218 PolarHBondContact O-N 3.39Å; D215-S218 PolarHBondContact OD1-N 3Å; D215-S218 WeakPolarHBondContact OD2-CB 3.27Å; D215-S218 PolarHBondContact OD2-OG 3.39Å; S218-S220 PolarHBondContact O-N 3.03Å; S218-F221 PolarHBondContact O-N 3.31Å; S218-R222 PolarHBondContact O-N 3.11Å
219N90.1Very high90.4Very high54 Ų5457 Ų5729%0.28928%0.284SS..Hα-helixtrans-58.1-45.8-170.6-167.560.5000113.3D215 K216 F217 F221 R222 Q223 L238D215-N219 PolarHBondContact O-N 3.16Å; K216-N219 WeakPolarHBondContact O-CB 3.34Å; K216-N219 PolarHBondContact O-N 2.87Å; F217-N219 VanDerWaalsContact C-N 3.33Å; N219-F221 VanDerWaalsContact C-N 3.34Å; N219-F221 PolarHBondContact O-N 3.29Å; N219-R222 PolarHBondContact O-N 3.04Å; N219-Q223 PolarHBondContact ND2-NE2 3.31Å; N219-Q223 PolarHBondContact ND2-OE1 3.26Å; N219-Q223 WeakPolarHBondContact O-CG 3.42Å; N219-Q223 PolarHBondContact O-N 3.3Å; N219-L238 VanDerWaalsContact OD1-CD2 3.23Å; N219-L238 WeakPolarHBondContact OD1-CD2 3.48Å
220S91.6Very high90.5Very high44 Ų4455.5 Ų55.531%0.30827%0.273SS..Hα-helixtrans-63.8-37.2179.654.40000113H172 S218 W224H172-S220 PolarHBondContact CE1-OG 3.3Å; H172-S220 PolarHBondContact NE2-OG 3.02Å; S218-S220 PolarHBondContact O-N 3.03Å; S220-W224 PolarHBondContact O-N 3.32Å; S220-W224 VanDerWaalsContact O-N 3.08Å
221F94Very high90.6Very high2 Ų255.2 Ų55.21%0.00927%0.268CS..Hα-helixtrans-69-36.8175.1-56.5-73.9000111.9L160 L168 K171 H172 Q175 I199 F217 S218 N219 F225L160-F221 HydrophobicContact CD1-CE2 3.79Å; L160-F221 HydrophobicContact CD1-CZ 4.29Å; L160-F221 HydrophobicContact CD2-CE2 4.39Å; L168-F221 HydrophobicContact CD1-CE2 3.4Å; L168-F221 VanDerWaalsContact CD1-CE2 3.4Å; L168-F221 HydrophobicContact CD1-CZ 3.45Å; L168-F221 VanDerWaalsContact CD1-CZ 3.45Å; L168-F221 HydrophobicContact CG-CZ 4.22Å; K171-F221 HydrophobicContact CB-CD1 4.28Å; K171-F221 HydrophobicContact CB-CE1 3.55Å; K171-F221 HydrophobicContact CB-CZ 4.03Å; K171-F221 HydrophobicContact CD-CD1 3.46Å; K171-F221 VanDerWaalsContact CD-CD1 3.46Å; K171-F221 HydrophobicContact CD-CD2 4.35Å; K171-F221 HydrophobicContact CD-CE1 3.51Å; K171-F221 HydrophobicContact CD-CE2 4.35Å; K171-F221 HydrophobicContact CD-CG 3.94Å; K171-F221 HydrophobicContact CD-CZ 3.96Å; K171-F221 HydrophobicContact CG-CD1 3.6Å; K171-F221 HydrophobicContact CG-CE1 3.39Å; K171-F221 HydrophobicContact CG-CZ 4.17Å; H172-F221 HydrophobicContact CB-CE1 4.46Å; H172-F221 AromaticContact CD2-CE1 3.76Å; H172-F221 AromaticContact CD2-CZ 3.59Å; H172-F221 AromaticContact CE1-CD1 3.89Å; H172-F221 AromaticContact CE1-CE1 3.36Å; H172-F221 WeakPolarHBondContact CE1-CE1 3.16Å; H172-F221 AromaticContact CE1-CZ 3.51Å; H172-F221 AromaticContact CG-CE1 3.66Å; H172-F221 AromaticContact CG-CZ 3.99Å; H172-F221 AromaticContact ND1-CD1 4Å; H172-F221 AromaticContact ND1-CE1 3.42Å; H172-F221 WeakPolarHBondContact ND1-CE1 3.47Å; H172-F221 AromaticContact ND1-CZ 3.95Å; H172-F221 AromaticContact NE2-CE1 3.59Å; H172-F221 AromaticContact NE2-CE2 3.91Å; H172-F221 AromaticContact NE2-CZ 3.26Å; H172-F221 VanDerWaalsContact NE2-CZ 3.26Å; H172-F221 WeakPolarHBondContact NE2-CZ 3.39Å; Q175-F221 PolarHBondContact NE2-O 2.97Å; I199-F221 HydrophobicContact CD1-CB 4.24Å; I199-F221 HydrophobicContact CG1-CB 4.22Å; F217-F221 WeakPolarHBondContact O-CE2 3.46Å; S218-F221 PolarHBondContact O-N 3.31Å; N219-F221 VanDerWaalsContact C-N 3.34Å; N219-F221 PolarHBondContact O-N 3.29Å; F221-F225 PolarHBondContact O-N 3.35Å; F221-F225 VanDerWaalsContact O-N 3.12Å
222R93.9Very high90.7Very high10 Ų1056.7 Ų56.74%0.03828%0.275CS..Hα-helixtrans-68.9-41.7176.4-173178.8145.5-127.3-1111.1I199 H201 S218 N219 F225 D226 D235 S237 L238I199-R222 HydrophobicContact CG2-CB 4.32Å; H201-R222 VanDerWaalsContact O-CD 3.28Å; H201-R222 WeakPolarHBondContact O-CD 3.23Å; H201-R222 PolarHBondContact O-NE 3.18Å; S218-R222 PolarHBondContact O-N 3.11Å; N219-R222 PolarHBondContact O-N 3.04Å; R222-F225 PolarHBondContact O-N 3.4Å; R222-D226 WeakPolarHBondContact O-CB 3.4Å; R222-D226 PolarHBondContact O-N 3.1Å; R222-D235 IonicContact CZ-OD2 3.92Å; R222-D235 VanDerWaalsContact NH2-CG 3.26Å; R222-D235 IonicContact NH2-OD1 3.68Å; R222-D235 IonicContact NH2-OD2 3.81Å; R222-D235 PolarHBondContact NH2-OD2 3.19Å; R222-S237 PolarHBondContact NH2-OG 2.61Å; R222-L238 HydrophobicContact CG-CD1 3.93Å; R222-L238 HydrophobicContact CG-CD2 4.39Å
223Q93.1Very high91.1Very high45 Ų4556.7 Ų56.721%0.2127%0.274CS..Hα-helixtrans-59.1-44.8172.4-73.4171-45.100111.9N219 F225 D226 Q227 L238 D239N219-Q223 PolarHBondContact ND2-NE2 3.31Å; N219-Q223 PolarHBondContact ND2-OE1 3.26Å; N219-Q223 WeakPolarHBondContact O-CG 3.42Å; N219-Q223 PolarHBondContact O-N 3.3Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 3.08Å; Q223-D226 PolarHBondContact O-N 2.92Å; Q223-Q227 VanDerWaalsContact O-CG 3.32Å; Q223-Q227 WeakPolarHBondContact O-CG 3.38Å; Q223-Q227 PolarHBondContact O-N 3.49Å; Q223-L238 HydrophobicContact CG-CB 4.39Å; Q223-L238 HydrophobicContact CG-CD2 3.98Å; Q223-D239 PolarHBondContact NE2-O 3.29Å
224W93.7Very high91.4Very high22 Ų2253.2 Ų53.28%0.08326%0.257CS..Hα-helixtrans-58.6-44.8174.5173.584.8000112.2F157 Q175 Q179 F197 I199 S220 Q227 L228F157-W224 AromaticContact CE1-CH2 3.49Å; F157-W224 HydrophobicContact CE1-CH2 3.49Å; F157-W224 VanDerWaalsContact CE1-CH2 3.49Å; F157-W224 HydrophobicContact CE1-CZ2 4.44Å; F157-W224 AromaticContact CE1-CZ3 3.79Å; F157-W224 HydrophobicContact CE1-CZ3 3.79Å; F157-W224 AromaticContact CZ-CH2 3.71Å; F157-W224 HydrophobicContact CZ-CH2 3.71Å; F157-W224 HydrophobicContact CZ-CZ3 4.12Å; Q175-W224 HydrophobicContact CB-CD2 3.83Å; Q175-W224 HydrophobicContact CB-CE3 4.32Å; Q175-W224 HydrophobicContact CB-CG 4.2Å; Q175-W224 HydrophobicContact CB-CH2 4.48Å; Q175-W224 HydrophobicContact CB-CZ2 4.01Å; Q175-W224 VanDerWaalsContact CD-CE3 3.46Å; Q175-W224 HydrophobicContact CG-CD2 3.78Å; Q175-W224 HydrophobicContact CG-CE3 3.76Å; Q175-W224 HydrophobicContact CG-CG 4.4Å; Q175-W224 HydrophobicContact CG-CH2 4.19Å; Q175-W224 HydrophobicContact CG-CZ2 4.2Å; Q175-W224 HydrophobicContact CG-CZ3 3.97Å; Q175-W224 WeakPolarHBondContact O-CZ2 3.32Å; Q179-W224 HydrophobicContact CB-CZ2 4.4Å; Q179-W224 VanDerWaalsContact OE1-NE1 3.07Å; F197-W224 HydrophobicContact CD1-CZ3 4.34Å; F197-W224 HydrophobicContact CE1-CZ3 4.35Å; I199-W224 HydrophobicContact CD1-CE3 4.35Å; I199-W224 HydrophobicContact CD1-CZ3 4.48Å; S220-W224 PolarHBondContact O-N 3.32Å; S220-W224 VanDerWaalsContact O-N 3.08Å; W224-Q227 PolarHBondContact O-N 2.71Å; W224-L228 HydrophobicContact CH2-CD2 4.47Å; W224-L228 PolarHBondContact O-N 2.9Å
225F95.8Very high91.7Very high0 Ų046.6 Ų46.60%022%0.224CC..Hα-helixtrans-65.9-41.1178.1-177.8-109.9000111.7F197 I199 H201 F221 R222 Q223 Q227 L228 L229 Y284 L286F197-F225 AromaticContact CD1-CD2 3.43Å; F197-F225 HydrophobicContact CD1-CD2 3.43Å; F197-F225 VanDerWaalsContact CD1-CD2 3.43Å; F197-F225 AromaticContact CD1-CE2 3.4Å; F197-F225 HydrophobicContact CD1-CE2 3.4Å; F197-F225 AromaticContact CE1-CD2 3.62Å; F197-F225 HydrophobicContact CE1-CD2 3.62Å; F197-F225 AromaticContact CE1-CE2 3.4Å; F197-F225 HydrophobicContact CE1-CE2 3.4Å; F197-F225 VanDerWaalsContact CE1-CE2 3.4Å; F197-F225 HydrophobicContact CG-CD2 4.35Å; F197-F225 HydrophobicContact CG-CE2 4.03Å; F197-F225 HydrophobicContact CZ-CE2 4.03Å; I199-F225 HydrophobicContact CD1-CB 4.05Å; I199-F225 HydrophobicContact CG2-CB 4.08Å; I199-F225 HydrophobicContact CG2-CD1 4.35Å; I199-F225 HydrophobicContact CG2-CG 4.32Å; H201-F225 HydrophobicContact CB-CD1 3.76Å; H201-F225 HydrophobicContact CB-CE1 3.57Å; H201-F225 AromaticContact CD2-CD1 3.77Å; H201-F225 AromaticContact CG-CD1 3.66Å; H201-F225 AromaticContact CG-CE1 3.57Å; H201-F225 AromaticContact ND1-CE1 3.83Å; F221-F225 PolarHBondContact O-N 3.35Å; F221-F225 VanDerWaalsContact O-N 3.12Å; R222-F225 PolarHBondContact O-N 3.4Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 3.08Å; F225-Q227 VanDerWaalsContact C-N 3.33Å; F225-Q227 PolarHBondContact O-N 3.39Å; F225-L228 VanDerWaalsContact O-CB 3.25Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 2.8Å; F225-L228 VanDerWaalsContact O-N 3.14Å; F225-L229 HydrophobicContact CD1-CD1 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.72Å; F225-L229 HydrophobicContact CZ-CD1 4.1Å; F225-L229 HydrophobicContact CZ-CD2 4.49Å; F225-Y284 HydrophobicContact CE1-CD1 4.1Å; F225-Y284 AromaticContact CE1-CE1 3.73Å; F225-Y284 HydrophobicContact CE1-CE1 3.73Å; F225-Y284 HydrophobicContact CE2-CG 4.47Å; F225-Y284 AromaticContact CZ-CD1 3.56Å; F225-Y284 HydrophobicContact CZ-CD1 3.56Å; F225-Y284 HydrophobicContact CZ-CD2 4.2Å; F225-Y284 AromaticContact CZ-CE1 3.67Å; F225-Y284 HydrophobicContact CZ-CE1 3.67Å; F225-Y284 HydrophobicContact CZ-CE2 4.32Å; F225-Y284 AromaticContact CZ-CG 3.86Å; F225-Y284 HydrophobicContact CZ-CG 3.86Å; F225-L286 HydrophobicContact CE2-CD1 3.98Å; F225-L286 HydrophobicContact CZ-CD2 4.33Å
226D94.9Very high91.9Very high0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-60.4-41.8177.2-162.674.3000111.8H201 R222 Q223 L228 L229 Q234 D235 L238 N240H201-D226 IonicContact CD2-OD1 3.86Å; H201-D226 IonicContact CE1-OD1 3.8Å; H201-D226 IonicContact NE2-OD1 3.84Å; H201-D226 PolarHBondContact NE2-OD1 2.88Å; R222-D226 WeakPolarHBondContact O-CB 3.4Å; R222-D226 PolarHBondContact O-N 3.1Å; Q223-D226 PolarHBondContact O-N 2.92Å; D226-L228 PolarHBondContact O-N 3.32Å; D226-L229 PolarHBondContact O-N 2.88Å; D226-L229 VanDerWaalsContact O-N 3.1Å; D226-Q234 WeakPolarHBondContact O-CG 3.29Å; D226-Q234 PolarHBondContact O-NE2 3.45Å; D226-Q234 VanDerWaalsContact OD1-CA 3.3Å; D226-Q234 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q234 WeakPolarHBondContact OD2-CB 3.41Å; D226-Q234 WeakPolarHBondContact OD2-CG 3.36Å; D226-D235 PolarHBondContact OD1-N 3.08Å; D226-L238 HydrophobicContact CB-CD1 3.63Å; D226-N240 PolarHBondContact OD2-ND2 3.41Å
227Q93.4Very high92.1Very high46 Ų4645.6 Ų45.622%0.21524%0.238CC..Hα-helixtrans-67.9-19.5176.2-72.3177.6-9.300114.4Q223 W224 F225 L229 L246 R247Q223-Q227 VanDerWaalsContact O-CG 3.32Å; Q223-Q227 WeakPolarHBondContact O-CG 3.38Å; Q223-Q227 PolarHBondContact O-N 3.49Å; W224-Q227 PolarHBondContact O-N 2.71Å; F225-Q227 VanDerWaalsContact C-N 3.33Å; F225-Q227 PolarHBondContact O-N 3.39Å; Q227-L229 VanDerWaalsContact C-N 3.28Å; Q227-L246 PolarHBondContact O-N 3.43Å; Q227-R247 PolarHBondContact O-N 2.86Å
228L94.5Very high92.3Very high5 Ų540.2 Ų40.23%0.02621%0.214CC..Hα-helixtrans-71-31173.2-170.465.9000111.1I193 F197 W224 F225 D226 L246 R248 F249 L286I193-L228 HydrophobicContact CD1-CD2 4.47Å; F197-L228 HydrophobicContact CE1-CD2 4.37Å; W224-L228 HydrophobicContact CH2-CD2 4.47Å; W224-L228 PolarHBondContact O-N 2.9Å; F225-L228 VanDerWaalsContact O-CB 3.25Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 2.8Å; F225-L228 VanDerWaalsContact O-N 3.14Å; D226-L228 PolarHBondContact O-N 3.32Å; L228-L246 HydrophobicContact CD1-CB 4.31Å; L228-L246 HydrophobicContact CD1-CD2 3.46Å; L228-L246 VanDerWaalsContact CD1-CD2 3.46Å; L228-L246 HydrophobicContact CD1-CG 4.48Å; L228-R248 PolarHBondContact O-N 3.38Å; L228-F249 HydrophobicContact CD1-CD2 3.59Å; L228-F249 HydrophobicContact CD1-CE2 4.01Å; L228-F249 HydrophobicContact CD2-CD2 4.43Å; L228-F249 HydrophobicContact CG-CB 4.22Å; L228-F249 HydrophobicContact CG-CD2 3.77Å; L228-F249 HydrophobicContact CG-CG 4.24Å; L228-F249 PolarHBondContact O-N 3.29Å; L228-F249 VanDerWaalsContact O-N 3.08Å; L228-L286 HydrophobicContact CD2-CD1 3.66Å
229L96.1Very high92.1Very high0 Ų044.7 Ų44.70%024%0.236CC..BIsolated β-bridgetrans-88.8156-172.5-58.5175.5000112.9H201 F225 D226 Q227 Q233 Q234 R247 F249 D251 L286H201-L229 WeakPolarHBondContact CE1-CD1 3.34Å; F225-L229 HydrophobicContact CD1-CD1 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.72Å; F225-L229 HydrophobicContact CZ-CD1 4.1Å; F225-L229 HydrophobicContact CZ-CD2 4.49Å; D226-L229 PolarHBondContact O-N 2.88Å; D226-L229 VanDerWaalsContact O-N 3.1Å; Q227-L229 VanDerWaalsContact C-N 3.28Å; L229-Q233 HydrophobicContact CB-CB 4.38Å; L229-Q234 PolarHBondContact O-NE2 3.44Å; L229-R247 WeakPolarHBondContact O-CA 3.21Å; L229-F249 CarbonylContact C-O 3.56Å; L229-F249 VanDerWaalsContact CA-O 3.23Å; L229-F249 WeakPolarHBondContact CA-O 3.16Å; L229-F249 HydrophobicContact CD2-CB 4.27Å; L229-D251 HydrophobicContact CD2-CB 4.36Å; L229-L286 HydrophobicContact CD2-CD1 4.28Å; L229-L286 HydrophobicContact CD2-CD2 3.94Å
230I94.3Very high91.2Very high21 Ų2144 Ų4411%0.10823%0.232CC..  trans-59.4154.5172.358.6168.7000112.5E232 Q233 Q234 F249 V250 M289I230-E232 VanDerWaalsContact C-N 3.28Å; I230-E232 HydrophobicContact CD1-CB 4.3Å; I230-E232 WeakPolarHBondContact CD1-OE2 3.36Å; I230-E232 PolarHBondContact O-N 3.13Å; I230-Q233 HydrophobicContact CD1-CG 4.12Å; I230-Q233 HydrophobicContact CG1-CB 3.99Å; I230-Q233 HydrophobicContact CG1-CG 3.89Å; I230-Q233 PolarHBondContact O-N 2.89Å; I230-Q234 WeakPolarHBondContact O-CG 3.13Å; I230-Q234 PolarHBondContact O-N 2.73Å; I230-F249 PolarHBondContact N-O 3.46Å; I230-V250 HydrophobicContact CD1-CG1 4.16Å; I230-V250 HydrophobicContact CD1-CG2 3.72Å; I230-V250 HydrophobicContact CG1-CG2 4.04Å; I230-V250 HydrophobicContact CG2-CG2 3.81Å; I230-M289 HydrophobicContact CG2-CE 4.34Å; I230-M289 HydrophobicContact CG2-CG 4.11Å; I230-M289 HydrophobicContact CG2-SD 3.27Å; I230-M289 WeakPolarHBondContact CG2-SD 3.23Å
231E91.8Very high89.8Confident126 Ų12649 Ų4959%0.58925%0.251SS*.G310 helixtrans-56.9-40-174.2-175164.1171.200112.8Q233 Q234 R247E231-Q233 PolarHBondContact O-N 3.34Å; E231-Q234 WeakPolarHBondContact O-CB 3.38Å; E231-Q234 PolarHBondContact O-N 2.69Å; E231-Q234 VanDerWaalsContact O-N 3.08Å; E231-R247 IonicContact OE2-CZ 2.88Å; E231-R247 IonicContact OE2-NH1 3.79Å; E231-R247 PolarHBondContact OE2-NH1 2.87Å
232E92.5Very high87.9Confident154 Ų15454.8 Ų54.872%0.7229%0.292SS*.G310 helixtrans-63.4-25.3179-60.381.5177.700112.9I230I230-E232 VanDerWaalsContact C-N 3.28Å; I230-E232 HydrophobicContact CD1-CB 4.3Å; I230-E232 WeakPolarHBondContact CD1-OE2 3.36Å; I230-E232 PolarHBondContact O-N 3.13Å
233Q94.7Very high86Confident16 Ų1657.5 Ų57.58%0.07531%0.312CS..G310 helixtrans-98.4-3178.3-69.9-168.3-25.200113.3H201 K202 L229 I230 E231 D251H201-Q233 PolarHBondContact CE1-O 2.8Å; K202-Q233 WeakPolarHBondContact CE-O 3.49Å; K202-Q233 PolarHBondContact NZ-O 3.34Å; L229-Q233 HydrophobicContact CB-CB 4.38Å; I230-Q233 HydrophobicContact CD1-CG 4.12Å; I230-Q233 HydrophobicContact CG1-CB 3.99Å; I230-Q233 HydrophobicContact CG1-CG 3.89Å; I230-Q233 PolarHBondContact O-N 2.89Å; E231-Q233 PolarHBondContact O-N 3.34Å; Q233-D251 PolarHBondContact NE2-O 2.88Å
234Q93.4Very high84.2Confident28 Ų2862.5 Ų62.513%0.13135%0.346CS..SBendtrans-68.8159.6177.9-73.6175.95.500112.2K202 D226 L229 I230 E231K202-Q234 WeakPolarHBondContact CE-O 3.46Å; K202-Q234 PolarHBondContact NZ-O 2.96Å; D226-Q234 WeakPolarHBondContact O-CG 3.29Å; D226-Q234 PolarHBondContact O-NE2 3.45Å; D226-Q234 VanDerWaalsContact OD1-CA 3.3Å; D226-Q234 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q234 WeakPolarHBondContact OD2-CB 3.41Å; D226-Q234 WeakPolarHBondContact OD2-CG 3.36Å; L229-Q234 PolarHBondContact O-NE2 3.44Å; I230-Q234 WeakPolarHBondContact O-CG 3.13Å; I230-Q234 PolarHBondContact O-N 2.73Å; E231-Q234 WeakPolarHBondContact O-CB 3.38Å; E231-Q234 PolarHBondContact O-N 2.69Å; E231-Q234 VanDerWaalsContact O-N 3.08Å
235D91.8Very high82.7Confident19 Ų1962 Ų6210%0.10235%0.348CS..  trans-100.7106.6176.3-168.8-27.4000110.1K202 R222 D226 S237 L238K202-D235 HydrophobicContact CG-CB 4.28Å; R222-D235 IonicContact CZ-OD2 3.92Å; R222-D235 VanDerWaalsContact NH2-CG 3.26Å; R222-D235 IonicContact NH2-OD1 3.68Å; R222-D235 IonicContact NH2-OD2 3.81Å; R222-D235 PolarHBondContact NH2-OD2 3.19Å; D226-D235 PolarHBondContact OD1-N 3.08Å; D235-S237 PolarHBondContact O-N 2.93Å; D235-S237 VanDerWaalsContact OD1-CB 3.3Å; D235-S237 WeakPolarHBondContact OD1-CB 3.47Å; D235-S237 PolarHBondContact OD1-N 3.01Å; D235-S237 PolarHBondContact OD1-OG 3.22Å; D235-S237 PolarHBondContact OD2-OG 3.2Å; D235-L238 HydrophobicContact CB-CD1 3.96Å; D235-L238 HydrophobicContact CB-CG 4.21Å; D235-L238 WeakPolarHBondContact O-CB 3.29Å; D235-L238 PolarHBondContact O-N 2.97Å
236V88.9Confident81.6Confident150 Ų15063.2 Ų63.291%0.90935%0.354SS*.THydrogen-bonded Turntrans-58.4-16.6-179.5-60.80000114.2L238V236-L238 VanDerWaalsContact C-N 3.28Å
237S87.3Confident81.2Confident61 Ų6168.3 Ų68.343%0.42737%0.373SS..THydrogen-bonded Turntrans-77.3-13.9175.369.40000113.6R222 D235R222-S237 PolarHBondContact NH2-OG 2.61Å; D235-S237 PolarHBondContact O-N 2.93Å; D235-S237 VanDerWaalsContact OD1-CB 3.3Å; D235-S237 WeakPolarHBondContact OD1-CB 3.47Å; D235-S237 PolarHBondContact OD1-N 3.01Å; D235-S237 PolarHBondContact OD1-OG 3.22Å; D235-S237 PolarHBondContact OD2-OG 3.2Å
238L87.5Confident81.1Confident11 Ų1172.3 Ų72.36%0.05839%0.386CS..SBendtrans-85.7122.6175.6-68.5171.8000109.6N219 R222 Q223 D226 D235 V236 N240N219-L238 VanDerWaalsContact OD1-CD2 3.23Å; N219-L238 WeakPolarHBondContact OD1-CD2 3.48Å; R222-L238 HydrophobicContact CG-CD1 3.93Å; R222-L238 HydrophobicContact CG-CD2 4.39Å; Q223-L238 HydrophobicContact CG-CB 4.39Å; Q223-L238 HydrophobicContact CG-CD2 3.98Å; D226-L238 HydrophobicContact CB-CD1 3.63Å; D235-L238 HydrophobicContact CB-CD1 3.96Å; D235-L238 HydrophobicContact CB-CG 4.21Å; D235-L238 WeakPolarHBondContact O-CB 3.29Å; D235-L238 PolarHBondContact O-N 2.97Å; V236-L238 VanDerWaalsContact C-N 3.28Å; L238-N240 PolarHBondContact O-N 2.86Å
239D80.4Confident81.3Confident124 Ų12472.1 Ų72.166%0.66339%0.385SS*.  trans-70.683.1167.8-176.721.9000109Q223 Q241Q223-D239 PolarHBondContact NE2-O 3.29Å; D239-Q241 PolarHBondContact O-N 2.88Å
240N70.7Confident81.3Confident39 Ų3972.1 Ų72.121%0.20939%0.385CS..  trans-82.7108.1172-70.1-26.8000107.6D226 L238 S242D226-N240 PolarHBondContact OD2-ND2 3.41Å; L238-N240 PolarHBondContact O-N 2.86Å; N240-S242 PolarHBondContact O-N 2.86Å
241Q64.1Low81.5Confident149 Ų14971.1 Ų71.170%0.69638%0.38SS*.  trans-52.1136.2166.4-65.6-175.64.900108.2D239 S243D239-Q241 PolarHBondContact O-N 2.88Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact O-OG 3.37Å
242S52.8Low81.8Confident124 Ų12465.1 Ų65.187%0.86735%0.352SS*.SBendtrans-61.720.4-173.4470000115.6N240 V244N240-S242 PolarHBondContact O-N 2.86Å; S242-V244 PolarHBondContact O-N 3.08Å
243S54.3Low82.1Confident68 Ų6858.7 Ų58.748%0.47632%0.322SS..  trans-56.3130.4164.540.70000110Q241 G245Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact O-OG 3.37Å; S243-G245 PolarHBondContact O-N 3.34Å
244V55.4Low82.2Confident150 Ų15058.8 Ų58.891%0.90932%0.321SS*.  trans-55.784.7172.1-176.30000108.6S242S242-V244 PolarHBondContact O-N 3.08Å
245G61.8Low82.3Confident12 Ų1260.8 Ų60.812%0.12433%0.332CS..  trans-64.4166.2175.100000110.5S243 R247S243-G245 PolarHBondContact O-N 3.34Å; G245-R247 VanDerWaalsContact C-N 3.28Å; G245-R247 PolarHBondContact O-N 3.19Å
246L73.8Confident82.4Confident25 Ų2563.2 Ų63.213%0.13135%0.345CS..  trans-55.3-50.3178.3-158.467.4000109.2I182 E183 L186 Q227 L228 R248 F249I182-L246 HydrophobicContact CG2-CD2 3.72Å; E183-L246 HydrophobicContact CG-CD1 3.3Å; L186-L246 HydrophobicContact CD1-CD2 4.04Å; Q227-L246 PolarHBondContact O-N 3.43Å; L228-L246 HydrophobicContact CD1-CB 4.31Å; L228-L246 HydrophobicContact CD1-CD2 3.46Å; L228-L246 VanDerWaalsContact CD1-CD2 3.46Å; L228-L246 HydrophobicContact CD1-CG 4.48Å; L246-R248 HydrophobicContact CD1-CG 4.46Å; L246-R248 HydrophobicContact CD2-CB 4.32Å; L246-R248 HydrophobicContact CG-CB 4.02Å; L246-R248 HydrophobicContact CG-CG 3.89Å; L246-R248 WeakPolarHBondContact O-CG 3.23Å; L246-R248 PolarHBondContact O-N 2.78Å; L246-F249 HydrophobicContact CD2-CD2 4.12Å; L246-F249 HydrophobicContact CD2-CE2 3.81Å
247R84.7Confident82.8Confident107 Ų10758.4 Ų58.440%0.40431%0.313SS..  trans47.139.6-177.5-57.7-172.6178.4-163.2-4.7112.8Q227 L229 E231 G245Q227-R247 PolarHBondContact O-N 2.86Å; L229-R247 WeakPolarHBondContact O-CA 3.21Å; E231-R247 IonicContact OE2-CZ 2.88Å; E231-R247 IonicContact OE2-NH1 3.79Å; E231-R247 PolarHBondContact OE2-NH1 2.87Å; G245-R247 VanDerWaalsContact C-N 3.28Å; G245-R247 PolarHBondContact O-N 3.19Å
248R92.4Very high83.3Confident130 Ų13058.8 Ų58.849%0.49131%0.314SS..  trans-111.6-5.6-174-65.6-170.3-173.7-144.31.9114.2L186 L228 L246 D288 M289L186-R248 HydrophobicContact CD1-CB 4.04Å; L186-R248 HydrophobicContact CD1-CG 4.39Å; L228-R248 PolarHBondContact O-N 3.38Å; L246-R248 HydrophobicContact CD1-CG 4.46Å; L246-R248 HydrophobicContact CD2-CB 4.32Å; L246-R248 HydrophobicContact CG-CB 4.02Å; L246-R248 HydrophobicContact CG-CG 3.89Å; L246-R248 WeakPolarHBondContact O-CG 3.23Å; L246-R248 PolarHBondContact O-N 2.78Å; R248-D288 CarbonylContact O-C 3.53Å; R248-D288 WeakPolarHBondContact O-CA 3.49Å; R248-M289 PolarHBondContact O-N 3.5Å
249F97.8Very high83.8Confident0 Ų065.9 Ų65.90%035%0.346CS..EExtended strand (participates in β ladder)trans-117.8152.2-175.2-73.5-88.2000112.9I182 L186 V191 I193 L228 L229 I230 L246 L286 F287 D288I182-F249 HydrophobicContact CG2-CE2 3.34Å; I182-F249 HydrophobicContact CG2-CZ 3.55Å; L186-F249 HydrophobicContact CD1-CE2 3.85Å; L186-F249 HydrophobicContact CD1-CZ 4.12Å; L186-F249 HydrophobicContact CD2-CZ 4.17Å; L186-F249 HydrophobicContact CG-CZ 4.47Å; V191-F249 HydrophobicContact CB-CE1 4.33Å; V191-F249 HydrophobicContact CB-CZ 4.18Å; V191-F249 HydrophobicContact CG1-CE1 4.21Å; V191-F249 HydrophobicContact CG1-CZ 4.06Å; I193-F249 HydrophobicContact CD1-CD1 4.07Å; I193-F249 HydrophobicContact CD1-CD2 4.47Å; I193-F249 HydrophobicContact CD1-CE1 3.6Å; I193-F249 HydrophobicContact CD1-CE2 4.05Å; I193-F249 HydrophobicContact CD1-CG 4.49Å; I193-F249 HydrophobicContact CD1-CZ 3.59Å; I193-F249 HydrophobicContact CG1-CD1 4.45Å; I193-F249 HydrophobicContact CG1-CE1 3.83Å; I193-F249 HydrophobicContact CG1-CZ 4.17Å; L228-F249 HydrophobicContact CD1-CD2 3.59Å; L228-F249 HydrophobicContact CD1-CE2 4.01Å; L228-F249 HydrophobicContact CD2-CD2 4.43Å; L228-F249 HydrophobicContact CG-CB 4.22Å; L228-F249 HydrophobicContact CG-CD2 3.77Å; L228-F249 HydrophobicContact CG-CG 4.24Å; L228-F249 PolarHBondContact O-N 3.29Å; L228-F249 VanDerWaalsContact O-N 3.08Å; L229-F249 CarbonylContact C-O 3.56Å; L229-F249 VanDerWaalsContact CA-O 3.23Å; L229-F249 WeakPolarHBondContact CA-O 3.16Å; L229-F249 HydrophobicContact CD2-CB 4.27Å; I230-F249 PolarHBondContact N-O 3.46Å; L246-F249 HydrophobicContact CD2-CD2 4.12Å; L246-F249 HydrophobicContact CD2-CE2 3.81Å; F249-L286 HydrophobicContact CB-CB 4.11Å; F249-L286 HydrophobicContact CB-CD1 4.23Å; F249-L286 HydrophobicContact CD1-CB 3.76Å; F249-L286 HydrophobicContact CG-CB 4.27Å; F249-F287 CarbonylContact C-O 3.51Å; F249-F287 VanDerWaalsContact CA-O 3.28Å; F249-F287 WeakPolarHBondContact CA-O 3.43Å; F249-F287 WeakPolarHBondContact CD1-O 3.37Å; F249-D288 HydrophobicContact CD1-CB 4.45Å; F249-D288 HydrophobicContact CE1-CB 4.07Å; F249-D288 HydrophobicContact CZ-CB 4.36Å
250V97.7Very high84.7Confident0 Ų064.2 Ų64.20%033%0.331CS..EExtended strand (participates in β ladder)trans-124.2126.4175.1-174.40000108.3I230 I252 L255 L286 F287 M289 V292I230-V250 HydrophobicContact CD1-CG1 4.16Å; I230-V250 HydrophobicContact CD1-CG2 3.72Å; I230-V250 HydrophobicContact CG1-CG2 4.04Å; I230-V250 HydrophobicContact CG2-CG2 3.81Å; V250-I252 HydrophobicContact CB-CD1 4.19Å; V250-I252 HydrophobicContact CG1-CD1 4.17Å; V250-I252 PolarHBondContact O-N 2.99Å; V250-L255 HydrophobicContact CG1-CB 4.06Å; V250-L255 HydrophobicContact CG1-CD1 4.34Å; V250-L255 HydrophobicContact CG1-CD2 4.18Å; V250-L255 HydrophobicContact CG1-CG 4.43Å; V250-L286 VanDerWaalsContact O-CA 3.31Å; V250-L286 WeakPolarHBondContact O-CA 3.48Å; V250-F287 PolarHBondContact N-O 2.99Å; V250-F287 PolarHBondContact O-N 3.43Å; V250-F287 VanDerWaalsContact O-N 3.11Å; V250-M289 HydrophobicContact CG2-SD 3.86Å; V250-V292 HydrophobicContact CB-CG2 3.77Å; V250-V292 HydrophobicContact CG1-CG2 4.38Å; V250-V292 HydrophobicContact CG2-CB 4.32Å; V250-V292 HydrophobicContact CG2-CG1 4.35Å; V250-V292 HydrophobicContact CG2-CG2 3.71Å
251D98.1Very high85.9Confident0 Ų069.9 Ų69.90%035%0.354CS..EExtended strand (participates in β ladder)trans-70102.5165.8176.62.6000109.2L229 Q233 F253 R254 L255 R281 L286L229-D251 HydrophobicContact CD2-CB 4.36Å; Q233-D251 PolarHBondContact NE2-O 2.88Å; D251-F253 VanDerWaalsContact C-N 3.28Å; D251-F253 PolarHBondContact O-N 2.83Å; D251-F253 PolarHBondContact OD1-N 3.33Å; D251-R254 HydrophobicContact CB-CB 4.26Å; D251-R254 PolarHBondContact O-N 3.37Å; D251-R254 VanDerWaalsContact O-N 3.13Å; D251-R254 PolarHBondContact OD1-N 2.87Å; D251-R254 WeakPolarHBondContact OD2-CG 3.14Å; D251-L255 PolarHBondContact O-N 3.34Å; D251-R281 IonicContact OD1-CZ 2.69Å; D251-R281 IonicContact OD1-NH2 2.92Å; D251-R281 PolarHBondContact OD1-NH2 2.75Å; D251-R281 IonicContact OD2-CZ 3.24Å; D251-R281 IonicContact OD2-NH1 3.84Å; D251-R281 PolarHBondContact OD2-NH1 3.25Å; D251-R281 IonicContact OD2-NH2 3.98Å; D251-R281 PolarHBondContact OD2-NH2 2.84Å; D251-L286 HydrophobicContact CB-CD2 3.91Å
252I97.2Very high87.5Confident1 Ų167.8 Ų67.81%0.00535%0.347CS..Hα-helixtrans-66-32.7-172.6-57.1-53.7000112V250 R254 L255 L256 I285 F287 V292 A305 A321V250-I252 HydrophobicContact CB-CD1 4.19Å; V250-I252 HydrophobicContact CG1-CD1 4.17Å; V250-I252 PolarHBondContact O-N 2.99Å; I252-R254 PolarHBondContact O-N 3.16Å; I252-L255 HydrophobicContact CD1-CD2 4.26Å; I252-L255 WeakPolarHBondContact O-CB 3.46Å; I252-L255 PolarHBondContact O-N 2.95Å; I252-L256 HydrophobicContact CG2-CD1 4.49Å; I252-L256 PolarHBondContact O-N 2.91Å; I252-L256 VanDerWaalsContact O-N 3.13Å; I252-I285 PolarHBondContact N-O 2.97Å; I252-F287 HydrophobicContact CD1-CB 3.9Å; I252-F287 HydrophobicContact CD1-CD2 3.51Å; I252-F287 HydrophobicContact CD1-CE2 4.16Å; I252-F287 HydrophobicContact CD1-CG 3.75Å; I252-F287 HydrophobicContact CG1-CB 4.14Å; I252-F287 HydrophobicContact CG1-CD1 3.96Å; I252-F287 HydrophobicContact CG1-CD2 3.5Å; I252-F287 VanDerWaalsContact CG1-CD2 3.5Å; I252-F287 HydrophobicContact CG1-CE1 4.23Å; I252-F287 HydrophobicContact CG1-CE2 3.79Å; I252-F287 HydrophobicContact CG1-CG 3.57Å; I252-F287 HydrophobicContact CG1-CZ 4.14Å; I252-V292 HydrophobicContact CD1-CG2 3.92Å; I252-A305 HydrophobicContact CB-CB 4.43Å; I252-A305 HydrophobicContact CG2-CB 3.67Å; I252-A321 HydrophobicContact CG2-CB 4.25Å
253F98.3Very high89.7Confident18 Ų1861.9 Ų61.98%0.07931%0.306CS..Hα-helixtrans-63-45.1174.8174.6-96.5000110.8D251 L255 L256 H257 A263 L307D251-F253 VanDerWaalsContact C-N 3.28Å; D251-F253 PolarHBondContact O-N 2.83Å; D251-F253 PolarHBondContact OD1-N 3.33Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-L256 PolarHBondContact O-N 3.32Å; F253-H257 AromaticContact CD2-CD2 3.69Å; F253-H257 HydrophobicContact CE1-CB 4.27Å; F253-H257 HydrophobicContact CE2-CB 4.11Å; F253-H257 AromaticContact CE2-CD2 3.58Å; F253-H257 AromaticContact CE2-CG 3.98Å; F253-H257 HydrophobicContact CZ-CB 3.92Å; F253-H257 WeakPolarHBondContact O-CA 3.28Å; F253-H257 WeakPolarHBondContact O-CB 3.21Å; F253-H257 PolarHBondContact O-CD2 2.71Å; F253-H257 PolarHBondContact O-N 3.45Å; F253-A263 HydrophobicContact CE1-CB 3.7Å; F253-A263 HydrophobicContact CZ-CB 3.42Å; F253-A263 VanDerWaalsContact CZ-CB 3.42Å; F253-L307 HydrophobicContact CE2-CD2 3.99Å; F253-L307 HydrophobicContact CZ-CD2 4Å
254R97.6Very high91.8Very high18 Ų1858.9 Ų58.97%0.06828%0.284CS..Hα-helixtrans-77.2-18.9178.9-73.1-65.7175.3-154.43.2113.9D205 D251 I252 H257 P258 R260D205-R254 IonicContact OD1-CZ 2.86Å; D205-R254 VanDerWaalsContact OD1-CZ 3.31Å; D205-R254 IonicContact OD1-NE 3.22Å; D205-R254 PolarHBondContact OD1-NE 2.86Å; D205-R254 VanDerWaalsContact OD1-NE 3.13Å; D205-R254 IonicContact OD1-NH2 3.41Å; D205-R254 PolarHBondContact OD1-NH2 2.89Å; D251-R254 HydrophobicContact CB-CB 4.26Å; D251-R254 PolarHBondContact O-N 3.37Å; D251-R254 VanDerWaalsContact O-N 3.13Å; D251-R254 PolarHBondContact OD1-N 2.87Å; D251-R254 WeakPolarHBondContact OD2-CG 3.14Å; I252-R254 PolarHBondContact O-N 3.16Å; R254-H257 PolarHBondContact NH1-O 2.92Å; R254-P258 VanDerWaalsContact O-CA 3.29Å; R254-P258 WeakPolarHBondContact O-CA 3.19Å; R254-R260 PolarHBondContact NH1-O 2.72Å; R254-R260 PolarHBondContact NH2-O 2.71Å
255L95.3Very high93.9Very high70 Ų7051.8 Ų51.837%0.36624%0.241SC..Hα-helixtrans-64.4-47.6166.7-178.367.9000110.9V250 D251 I252 F253 V292V250-L255 HydrophobicContact CG1-CB 4.06Å; V250-L255 HydrophobicContact CG1-CD1 4.34Å; V250-L255 HydrophobicContact CG1-CD2 4.18Å; V250-L255 HydrophobicContact CG1-CG 4.43Å; D251-L255 PolarHBondContact O-N 3.34Å; I252-L255 HydrophobicContact CD1-CD2 4.26Å; I252-L255 WeakPolarHBondContact O-CB 3.46Å; I252-L255 PolarHBondContact O-N 2.95Å; F253-L255 VanDerWaalsContact C-N 3.34Å; L255-V292 HydrophobicContact CD2-CG1 4.4Å
256L95.2Very high95.6Very high71 Ų7152 Ų5237%0.37224%0.241SC..Hα-helixtrans-84.2-29-177.4-59.6-176.2000113.7I252 F253 P258 I303 A305I252-L256 HydrophobicContact CG2-CD1 4.49Å; I252-L256 PolarHBondContact O-N 2.91Å; I252-L256 VanDerWaalsContact O-N 3.13Å; F253-L256 PolarHBondContact O-N 3.32Å; L256-P258 VanDerWaalsContact C-CD 3.41Å; L256-P258 WeakPolarHBondContact O-CD 3.18Å; L256-I303 WeakPolarHBondContact CD1-O 3.46Å; L256-A305 HydrophobicContact CD1-CB 3.87Å
257H97.2Very high96.8Very high49 Ų4951.2 Ų51.223%0.22724%0.236CC..  trans-126.459.8-176.1-55.2-82.3000112F253 R254 H259 R260 A305F253-H257 AromaticContact CD2-CD2 3.69Å; F253-H257 HydrophobicContact CE1-CB 4.27Å; F253-H257 HydrophobicContact CE2-CB 4.11Å; F253-H257 AromaticContact CE2-CD2 3.58Å; F253-H257 AromaticContact CE2-CG 3.98Å; F253-H257 HydrophobicContact CZ-CB 3.92Å; F253-H257 WeakPolarHBondContact O-CA 3.28Å; F253-H257 WeakPolarHBondContact O-CB 3.21Å; F253-H257 PolarHBondContact O-CD2 2.71Å; F253-H257 PolarHBondContact O-N 3.45Å; R254-H257 PolarHBondContact NH1-O 2.92Å; H257-H259 VanDerWaalsContact C-N 3.26Å; H257-H259 PolarHBondContact O-N 2.67Å; H257-R260 HydrophobicContact CB-CB 3.85Å; H257-R260 PolarHBondContact O-N 2.68Å; H257-A305 PolarHBondContact CD2-O 3.47Å; H257-A305 PolarHBondContact NE2-O 3.15Å
258P97Very high97.3Very high69 Ų6948.3 Ų48.345%0.44823%0.232SC..THydrogen-bonded Turntrans-61.4-31.5-170.823.1-34.3000113.6R254 L256R254-P258 VanDerWaalsContact O-CA 3.29Å; R254-P258 WeakPolarHBondContact O-CA 3.19Å; L256-P258 VanDerWaalsContact C-CD 3.41Å; L256-P258 WeakPolarHBondContact O-CD 3.18Å
259H97.8Very high97.4Very high159 Ų15945.6 Ų45.674%0.73623%0.233SC*.THydrogen-bonded Turntrans-1134.3-174.8-55.3-52.6000114.4H257 K261H257-H259 VanDerWaalsContact C-N 3.26Å; H257-H259 PolarHBondContact O-N 2.67Å; H259-K261 PolarHBondContact O-N 3.46Å
260R98.4Very high97.1Very high90 Ų9053.7 Ų53.734%0.3426%0.263SS..  trans-69.1108.4-177.8-174.9174.7172.3-176.5-5.5110.6R254 H257 A263 D306R254-R260 PolarHBondContact NH1-O 2.72Å; R254-R260 PolarHBondContact NH2-O 2.71Å; H257-R260 HydrophobicContact CB-CB 3.85Å; H257-R260 PolarHBondContact O-N 2.68Å; R260-A263 HydrophobicContact CG-CB 4.27Å; R260-D306 IonicContact CZ-OD1 3.28Å; R260-D306 IonicContact CZ-OD2 2.67Å; R260-D306 IonicContact NH1-OD1 2.98Å; R260-D306 PolarHBondContact NH1-OD1 2.83Å; R260-D306 IonicContact NH1-OD2 3.13Å; R260-D306 PolarHBondContact NH1-OD2 3.13Å; R260-D306 IonicContact NH2-OD1 2.75Å
261K97.8Very high96.9Very high158 Ų15853.9 Ų53.969%0.68727%0.265SS*.  trans-76.1162.9172.6-61.2-176.6179.6-179.40110.8I204 H259 A263I204-K261 HydrophobicContact CD1-CG 3.89Å; I204-K261 HydrophobicContact CG1-CG 4.04Å; H259-K261 PolarHBondContact O-N 3.46Å; K261-A263 PolarHBondContact O-N 2.83Å
262N97.1Very high96.7Very high105 Ų10557.7 Ų57.756%0.56129%0.285SS*.SBendtrans59.724.1175.9-53-36.1000114.4F264 N277N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 HydrophobicContact CB-CE2 4.19Å; N262-F264 PolarHBondContact O-N 3.25Å; N262-N277 PolarHBondContact O-ND2 3.17Å
263A98.3Very high96.7Very high0 Ų057.7 Ų57.70%029%0.285CS..  trans-88.760.1179.200000111.3F253 R260 K261 L307F253-A263 HydrophobicContact CE1-CB 3.7Å; F253-A263 HydrophobicContact CZ-CB 3.42Å; F253-A263 VanDerWaalsContact CZ-CB 3.42Å; R260-A263 HydrophobicContact CG-CB 4.27Å; K261-A263 PolarHBondContact O-N 2.83Å; A263-L307 HydrophobicContact CB-CD2 3.59Å
264F98.7Very high96.7Very high4 Ų459.2 Ų59.22%0.01829%0.291CS..  trans-85.6150.3-177-51.7-47.4000111.4D205 C207 N262 W267 N277 G279D205-F264 WeakPolarHBondContact O-CD1 3.22Å; D205-F264 WeakPolarHBondContact O-CE1 3.06Å; C207-F264 HydrophobicContact CB-CE1 4.5Å; C207-F264 HydrophobicContact CB-CE2 3.88Å; C207-F264 HydrophobicContact CB-CZ 3.82Å; N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 HydrophobicContact CB-CE2 4.19Å; N262-F264 PolarHBondContact O-N 3.25Å; F264-W267 HydrophobicContact CB-CZ2 4.03Å; F264-W267 WeakPolarHBondContact O-CH2 3.37Å; F264-W267 WeakPolarHBondContact O-CZ2 3.46Å; F264-N277 WeakPolarHBondContact CD2-O 3.36Å; F264-N277 WeakPolarHBondContact CD2-OD1 3.35Å; F264-N277 WeakPolarHBondContact CE2-O 3.49Å; F264-G279 WeakPolarHBondContact CD1-O 3.25Å; F264-G279 VanDerWaalsContact CG-C 3.4Å
265T98.7Very high96.6Very high1 Ų165.1 Ų65.11%0.00632%0.319CS..SBendtrans-115.7-17.217964.20000112.7W267 V280 R281 L282 D283 H316 C317 I319T265-W267 WeakPolarHBondContact O-CZ3 3.27Å; T265-V280 PolarHBondContact N-O 3.27Å; T265-R281 HydrophobicContact CG2-CG 3.96Å; T265-L282 PolarHBondContact OG1-N 3.24Å; T265-D283 WeakPolarHBondContact CB-OD2 3.35Å; T265-D283 HydrophobicContact CG2-CB 4.24Å; T265-D283 PolarHBondContact OG1-N 2.93Å; T265-D283 PolarHBondContact OG1-OD2 3.25Å; T265-H316 CarbonylContact O-C 3.59Å; T265-H316 WeakPolarHBondContact O-CA 3.17Å; T265-C317 PolarHBondContact O-N 3.06Å; T265-I319 HydrophobicContact CG2-CG2 3.59Å
266C98.6Very high96.7Very high18 Ų1862.6 Ų62.612%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-131.2134.7-178.11800000111.5G279 V280 L282 D315 H316C266-G279 CarbonylContact O-C 3.53Å; C266-G279 WeakPolarHBondContact O-CA 3.22Å; C266-V280 HydrophobicContact CB-CG2 4.11Å; C266-V280 PolarHBondContact N-O 3.19Å; C266-V280 PolarHBondContact O-N 3.25Å; C266-L282 HydrophobicContact CB-CD1 3.9Å; C266-L282 HydrophobicContact CB-CG 4.28Å; C266-D315 CarbonylContact C-O 3.51Å; C266-D315 WeakPolarHBondContact CA-O 3.2Å; C266-H316 VanDerWaalsContact SG-CE1 3.56Å; C266-H316 PolarHBondContact SG-NE2 3.23Å
267W98.4Very high96.9Very high8 Ų862 Ų623%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-136.1144.9178.7-56.1-93.5000111.8F264 T265 S269 A273 R274 N277 G279 D315 C317F264-W267 HydrophobicContact CB-CZ2 4.03Å; F264-W267 WeakPolarHBondContact O-CH2 3.37Å; F264-W267 WeakPolarHBondContact O-CZ2 3.46Å; T265-W267 WeakPolarHBondContact O-CZ3 3.27Å; W267-S269 PolarHBondContact O-N 3.43Å; W267-A273 HydrophobicContact CB-CB 4.38Å; W267-R274 HydrophobicContact CB-CB 3.75Å; W267-R274 HydrophobicContact CB-CG 4.42Å; W267-R274 HydrophobicContact CD2-CB 4.04Å; W267-R274 HydrophobicContact CD2-CG 3.75Å; W267-R274 HydrophobicContact CE3-CB 4.38Å; W267-R274 HydrophobicContact CE3-CG 3.82Å; W267-R274 HydrophobicContact CG-CB 3.77Å; W267-R274 HydrophobicContact CG-CG 4.04Å; W267-R274 HydrophobicContact CZ3-CG 4.37Å; W267-N277 WeakPolarHBondContact CZ2-OD1 3.49Å; W267-N277 PolarHBondContact NE1-OD1 3.17Å; W267-G279 VanDerWaalsContact CD1-CA 3.48Å; W267-D315 PolarHBondContact N-O 3.47Å; W267-D315 WeakPolarHBondContact O-CB 3.34Å; W267-C317 HydrophobicContact CH2-CB 3.99Å; W267-C317 HydrophobicContact CZ3-CB 3.79Å
268S96Very high96.9Very high46 Ų4661.6 Ų61.632%0.32230%0.3SS..  trans-70.3109.5177.9-168.20000112.4R270 T271 N272 A273S268-R270 PolarHBondContact O-N 3.31Å; S268-T271 WeakPolarHBondContact CB-OG1 3.39Å; S268-T271 PolarHBondContact O-N 2.69Å; S268-T271 PolarHBondContact O-OG1 2.96Å; S268-N272 PolarHBondContact O-N 3.33Å; S268-N272 VanDerWaalsContact O-N 3.13Å; S268-A273 PolarHBondContact O-N 2.91Å; S268-A273 VanDerWaalsContact O-N 3.17Å
269S93.9Very high96.9Very high72 Ų7258.5 Ų58.550%0.50328%0.281SS..G310 helixtrans-58.1-32171.4-63.30000112.8W267 T271 N272 D315W267-S269 PolarHBondContact O-N 3.43Å; S269-T271 PolarHBondContact O-N 3.12Å; S269-N272 PolarHBondContact O-N 3.23Å; S269-N272 PolarHBondContact O-OD1 3.16Å; S269-D315 WeakPolarHBondContact OG-CB 3.45Å
270R91.5Very high96.9Very high170 Ų17052.2 Ų52.264%0.64225%0.254SS*.G310 helixtrans-63.2-29.8179.7179.8177.656.472.45.1113S268 R469S268-R270 PolarHBondContact O-N 3.31Å; R270-R469 PolarHBondContact O-NH1 3.45Å
271T93.4Very high97Very high4 Ų448.1 Ų48.13%0.02524%0.238CC..G310 helixtrans-111.68.4-178.459.80000112.8S268 S269 A273 P492 Q493S268-T271 WeakPolarHBondContact CB-OG1 3.39Å; S268-T271 PolarHBondContact O-N 2.69Å; S268-T271 PolarHBondContact O-OG1 2.96Å; S269-T271 PolarHBondContact O-N 3.12Å; T271-A273 PolarHBondContact O-N 3.44Å; T271-P492 CarbonylContact O-C 3.57Å; T271-P492 WeakPolarHBondContact O-CA 3.46Å; T271-Q493 HydrophobicContact CG2-CB 4.46Å; T271-Q493 PolarHBondContact O-N 2.8Å; T271-Q493 PolarHBondContact OG1-OE1 2.98Å
272N95.2Very high97Very high81 Ų8141.6 Ų41.643%0.43321%0.211SC..THydrogen-bonded Turntrans51.631-175.9-66-16000113S268 S269 R274 Q275 P492S268-N272 PolarHBondContact O-N 3.33Å; S268-N272 VanDerWaalsContact O-N 3.13Å; S269-N272 PolarHBondContact O-N 3.23Å; S269-N272 PolarHBondContact O-OD1 3.16Å; N272-R274 PolarHBondContact O-N 3.46Å; N272-Q275 PolarHBondContact O-N 3.05Å; N272-Q275 VanDerWaalsContact O-N 3.11Å; N272-P492 HydrophobicContact CB-CB 3.93Å; N272-P492 WeakPolarHBondContact O-CB 3.26Å
273A97.2Very high97.1Very high1 Ų136.6 Ų36.61%0.00818%0.184CC..G310 helixtrans-65.2-15.2-169.500000113.7W267 S268 T271 Q275 T276 N277 Y278 Q493W267-A273 HydrophobicContact CB-CB 4.38Å; S268-A273 PolarHBondContact O-N 2.91Å; S268-A273 VanDerWaalsContact O-N 3.17Å; T271-A273 PolarHBondContact O-N 3.44Å; A273-Q275 VanDerWaalsContact C-N 3.31Å; A273-Q275 PolarHBondContact O-N 3.49Å; A273-T276 PolarHBondContact O-N 3.07Å; A273-T276 PolarHBondContact O-OG1 3.22Å; A273-T276 VanDerWaalsContact O-OG1 3.06Å; A273-N277 PolarHBondContact O-N 3.12Å; A273-Y278 WeakPolarHBondContact CB-O 3.42Å; A273-Y278 PolarHBondContact O-N 3.04Å; A273-Q493 HydrophobicContact CB-CB 4.41Å
274R97.5Very high97.1Very high50 Ų5036.6 Ų36.619%0.18918%0.184CC..G310 helixtrans-62.3-35.9174-167.4167.3-178.1162.71.5112.9W267 N272 T276 N277 S309 I311 S314W267-R274 HydrophobicContact CB-CB 3.75Å; W267-R274 HydrophobicContact CB-CG 4.42Å; W267-R274 HydrophobicContact CD2-CB 4.04Å; W267-R274 HydrophobicContact CD2-CG 3.75Å; W267-R274 HydrophobicContact CE3-CB 4.38Å; W267-R274 HydrophobicContact CE3-CG 3.82Å; W267-R274 HydrophobicContact CG-CB 3.77Å; W267-R274 HydrophobicContact CG-CG 4.04Å; W267-R274 HydrophobicContact CZ3-CG 4.37Å; N272-R274 PolarHBondContact O-N 3.46Å; R274-T276 PolarHBondContact O-N 3.32Å; R274-N277 PolarHBondContact O-N 3.22Å; R274-N277 VanDerWaalsContact O-N 3.11Å; R274-S309 PolarHBondContact NH2-O 3.05Å; R274-I311 PolarHBondContact NH1-O 2.98Å; R274-I311 PolarHBondContact NH2-O 3.2Å; R274-S314 PolarHBondContact NH1-O 3.37Å
275Q96.4Very high97.1Very high142 Ų14236.7 Ų36.766%0.66419%0.185SC*.G310 helixtrans-64.6-26.7-176.3-67.7179-14.700113.4N272 A273 P492N272-Q275 PolarHBondContact O-N 3.05Å; N272-Q275 VanDerWaalsContact O-N 3.11Å; A273-Q275 VanDerWaalsContact C-N 3.31Å; A273-Q275 PolarHBondContact O-N 3.49Å; Q275-P492 HydrophobicContact CB-CB 4.07Å; Q275-P492 HydrophobicContact CB-CG 4.03Å
276T97.3Very high97.1Very high17 Ų1736.7 Ų36.710%0.10418%0.184CC..G310 helixtrans-108.66.3-179.947.40000111.7A273 R274 Y278 P492 Q493 A501A273-T276 PolarHBondContact O-N 3.07Å; A273-T276 PolarHBondContact O-OG1 3.22Å; A273-T276 VanDerWaalsContact O-OG1 3.06Å; R274-T276 PolarHBondContact O-N 3.32Å; T276-Y278 VanDerWaalsContact C-N 3.27Å; T276-Y278 PolarHBondContact O-N 2.82Å; T276-P492 HydrophobicContact CG2-CB 3.96Å; T276-P492 HydrophobicContact CG2-CG 3.54Å; T276-Q493 PolarHBondContact OG1-O 3.28Å; T276-A501 HydrophobicContact CG2-CB 4.21Å
277N97.7Very high97.1Very high59 Ų5935.8 Ų35.832%0.31618%0.179SC..THydrogen-bonded Turntrans49.643.6-172.9-164.525.8000113.7N262 F264 W267 A273 R274 G279N262-N277 PolarHBondContact O-ND2 3.17Å; F264-N277 WeakPolarHBondContact CD2-O 3.36Å; F264-N277 WeakPolarHBondContact CD2-OD1 3.35Å; F264-N277 WeakPolarHBondContact CE2-O 3.49Å; W267-N277 WeakPolarHBondContact CZ2-OD1 3.49Å; W267-N277 PolarHBondContact NE1-OD1 3.17Å; A273-N277 PolarHBondContact O-N 3.12Å; R274-N277 PolarHBondContact O-N 3.22Å; R274-N277 VanDerWaalsContact O-N 3.11Å; N277-G279 PolarHBondContact O-N 3.41Å
278Y97.7Very high97Very high40 Ų4035.6 Ų35.616%0.15718%0.178CC..  trans-99.385.3177.4-166.4-93.4000109.8C207 A273 T276 Q493 G494 A495C207-Y278 HydrophobicContact CB-CD1 4.3Å; C207-Y278 HydrophobicContact CB-CD2 3.73Å; C207-Y278 HydrophobicContact CB-CE1 4.42Å; C207-Y278 HydrophobicContact CB-CE2 3.89Å; C207-Y278 HydrophobicContact CB-CG 3.97Å; C207-Y278 VanDerWaalsContact SG-CD1 3.54Å; C207-Y278 WeakPolarHBondContact SG-CE1 3.26Å; A273-Y278 WeakPolarHBondContact CB-O 3.42Å; A273-Y278 PolarHBondContact O-N 3.04Å; T276-Y278 VanDerWaalsContact C-N 3.27Å; T276-Y278 PolarHBondContact O-N 2.82Å; Y278-Q493 HydrophobicContact CD1-CG 3.82Å; Y278-Q493 HydrophobicContact CE1-CG 4.03Å; Y278-G494 VanDerWaalsContact CD2-C 3.41Å; Y278-A495 HydrophobicContact CD2-CB 4.35Å; Y278-A495 VanDerWaalsContact CD2-N 3.26Å; Y278-A495 HydrophobicContact CE2-CB 4.41Å
279G98Very high96.8Very high4 Ų436.7 Ų36.74%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-141.2-164.6-169.400000113.7C207 F264 C266 W267 N277C207-G279 WeakPolarHBondContact CB-O 3.36Å; C207-G279 PolarHBondContact N-O 3.23Å; C207-G279 PolarHBondContact SG-O 3.08Å; F264-G279 WeakPolarHBondContact CD1-O 3.25Å; F264-G279 VanDerWaalsContact CG-C 3.4Å; C266-G279 CarbonylContact O-C 3.53Å; C266-G279 WeakPolarHBondContact O-CA 3.22Å; W267-G279 VanDerWaalsContact CD1-CA 3.48Å; N277-G279 PolarHBondContact O-N 3.41Å
280V98.1Very high96.6Very high26 Ų2636.7 Ų36.716%0.15817%0.17CC..EExtended strand (participates in β ladder)trans-138.6154177.5-64.60000109.5D205 H206 T265 C266 L282D205-V280 CarbonylContact O-C 3.54Å; D205-V280 WeakPolarHBondContact O-CA 3.45Å; H206-V280 WeakPolarHBondContact CD2-CG1 3.48Å; H206-V280 WeakPolarHBondContact NE2-CG1 3.45Å; T265-V280 PolarHBondContact N-O 3.27Å; C266-V280 HydrophobicContact CB-CG2 4.11Å; C266-V280 PolarHBondContact N-O 3.19Å; C266-V280 PolarHBondContact O-N 3.25Å; V280-L282 HydrophobicContact CB-CD2 4.44Å; V280-L282 HydrophobicContact CB-CG 4.43Å; V280-L282 HydrophobicContact CG2-CD1 3.74Å; V280-L282 HydrophobicContact CG2-CD2 3.99Å; V280-L282 HydrophobicContact CG2-CG 3.66Å
281R98.6Very high96.6Very high4 Ų428.6 Ų28.62%0.01514%0.139CC..  trans-96.3115.9170.9179.6173.2172.3-104.2-5.5109.8D205 D251 T265 Y284D205-R281 HydrophobicContact CB-CB 3.93Å; D205-R281 PolarHBondContact O-N 2.98Å; D205-R281 IonicContact OD1-NH1 3.53Å; D205-R281 IonicContact OD2-NH1 3.31Å; D251-R281 IonicContact OD1-CZ 2.69Å; D251-R281 IonicContact OD1-NH2 2.92Å; D251-R281 PolarHBondContact OD1-NH2 2.75Å; D251-R281 IonicContact OD2-CZ 3.24Å; D251-R281 IonicContact OD2-NH1 3.84Å; D251-R281 PolarHBondContact OD2-NH1 3.25Å; D251-R281 IonicContact OD2-NH2 3.98Å; D251-R281 PolarHBondContact OD2-NH2 2.84Å; T265-R281 HydrophobicContact CG2-CG 3.96Å; R281-Y284 VanDerWaalsContact CZ-CE1 3.49Å; R281-Y284 PolarHBondContact O-OH 2.71Å; R281-Y284 VanDerWaalsContact O-OH 3.07Å
282L98.6Very high96.5Very high22 Ų2229 Ų2912%0.11514%0.142CC..  trans-124.6-13.7-177.7-57.7178.2000112.7F197 C200 T265 C266 V280 Y284F197-L282 PolarHBondContact N-O 3.17Å; C200-L282 HydrophobicContact CB-CD2 4.22Å; T265-L282 PolarHBondContact OG1-N 3.24Å; C266-L282 HydrophobicContact CB-CD1 3.9Å; C266-L282 HydrophobicContact CB-CG 4.28Å; V280-L282 HydrophobicContact CB-CD2 4.44Å; V280-L282 HydrophobicContact CB-CG 4.43Å; V280-L282 HydrophobicContact CG2-CD1 3.74Å; V280-L282 HydrophobicContact CG2-CD2 3.99Å; V280-L282 HydrophobicContact CG2-CG 3.66Å; L282-Y284 WeakPolarHBondContact O-CD2 3.3Å; L282-Y284 WeakPolarHBondContact O-CE2 3.37Å
283D98.9Very high96.2Very high0 Ų030.2 Ų30.20%015%0.145CC..EExtended strand (participates in β ladder)trans-101130.9-177.3-53.8-94.6000109.1G195 T265 H316 I319G195-D283 WeakPolarHBondContact O-CA 3.38Å; T265-D283 WeakPolarHBondContact CB-OD2 3.35Å; T265-D283 HydrophobicContact CG2-CB 4.24Å; T265-D283 PolarHBondContact OG1-N 2.93Å; T265-D283 PolarHBondContact OG1-OD2 3.25Å; D283-H316 IonicContact OD1-ND1 2.71Å; D283-H316 PolarHBondContact OD1-ND1 3.2Å; D283-H316 IonicContact OD2-CE1 3.74Å; D283-H316 IonicContact OD2-CG 3.16Å; D283-H316 IonicContact OD2-ND1 3.71Å; D283-H316 PolarHBondContact OD2-ND1 3.19Å; D283-I319 HydrophobicContact CB-CD1 3.77Å; D283-I319 HydrophobicContact CB-CG1 4.24Å; D283-I319 HydrophobicContact CB-CG2 4.45Å; D283-I319 WeakPolarHBondContact O-CD1 3.2Å
284Y98.9Very high95.6Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-135.6146.9-175.7-56.1-101.6000110.8A194 G195 F197 I199 H201 F225 R281 L282A194-Y284 WeakPolarHBondContact CA-O 3.48Å; G195-Y284 PolarHBondContact N-O 3.13Å; G195-Y284 PolarHBondContact O-N 2.67Å; F197-Y284 HydrophobicContact CB-CD2 3.83Å; F197-Y284 HydrophobicContact CB-CE2 3.98Å; F197-Y284 AromaticContact CD2-CD2 3.66Å; F197-Y284 HydrophobicContact CD2-CD2 3.66Å; F197-Y284 HydrophobicContact CD2-CG 4.2Å; F197-Y284 HydrophobicContact CE2-CD2 4.46Å; F197-Y284 AromaticContact CG-CD2 3.88Å; F197-Y284 HydrophobicContact CG-CD2 3.88Å; F197-Y284 HydrophobicContact CG-CE2 4.45Å; I199-Y284 VanDerWaalsContact O-CE2 3.28Å; I199-Y284 WeakPolarHBondContact O-CE2 3.31Å; I199-Y284 PolarHBondContact O-OH 3.14Å; H201-Y284 HydrophobicContact CB-CE1 4.19Å; H201-Y284 PolarHBondContact N-OH 3.19Å; H201-Y284 VanDerWaalsContact N-OH 3.08Å; F225-Y284 HydrophobicContact CE1-CD1 4.1Å; F225-Y284 AromaticContact CE1-CE1 3.73Å; F225-Y284 HydrophobicContact CE1-CE1 3.73Å; F225-Y284 HydrophobicContact CE2-CG 4.47Å; F225-Y284 AromaticContact CZ-CD1 3.56Å; F225-Y284 HydrophobicContact CZ-CD1 3.56Å; F225-Y284 HydrophobicContact CZ-CD2 4.2Å; F225-Y284 AromaticContact CZ-CE1 3.67Å; F225-Y284 HydrophobicContact CZ-CE1 3.67Å; F225-Y284 HydrophobicContact CZ-CE2 4.32Å; F225-Y284 AromaticContact CZ-CG 3.86Å; F225-Y284 HydrophobicContact CZ-CG 3.86Å; R281-Y284 VanDerWaalsContact CZ-CE1 3.49Å; R281-Y284 PolarHBondContact O-OH 2.71Å; R281-Y284 VanDerWaalsContact O-OH 3.07Å; L282-Y284 WeakPolarHBondContact O-CD2 3.3Å; L282-Y284 WeakPolarHBondContact O-CE2 3.37Å
285I98.8Very high94.9Very high6 Ų629.7 Ų29.73%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-120.3113.6163.3-64.3166000106.4I6 V192 I193 A194 I252 F287 I319 A321I6-I285 HydrophobicContact CG2-CD1 4.31Å; I6-I285 HydrophobicContact CG2-CG2 4Å; V192-I285 HydrophobicContact CG1-CG2 4.14Å; I193-I285 CarbonylContact O-C 3.41Å; I193-I285 WeakPolarHBondContact O-CA 3.3Å; A194-I285 HydrophobicContact CB-CG1 4.06Å; I252-I285 PolarHBondContact N-O 2.97Å; I285-F287 HydrophobicContact CG2-CD1 4.08Å; I285-F287 HydrophobicContact CG2-CE1 3.5Å; I285-F287 VanDerWaalsContact CG2-CE1 3.5Å; I285-F287 HydrophobicContact CG2-CZ 4.36Å; I285-I319 HydrophobicContact CD1-CD1 4.18Å; I285-I319 HydrophobicContact CD1-CG1 3.98Å; I285-I319 HydrophobicContact CG1-CD1 3.85Å; I285-I319 HydrophobicContact CG1-CG1 4.16Å; I285-A321 HydrophobicContact CB-CB 4.27Å; I285-A321 HydrophobicContact CD1-CB 4.09Å; I285-A321 HydrophobicContact CG2-CB 3.85Å
286L98.6Very high94.2Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-109.2131.4-177.8-49.8-175.8000109.5V192 I193 F197 F225 L228 L229 F249 V250 D251V192-L286 CarbonylContact C-O 3.39Å; V192-L286 WeakPolarHBondContact CA-O 3.47Å; I193-L286 HydrophobicContact CB-CB 4.32Å; I193-L286 PolarHBondContact N-O 3.3Å; I193-L286 PolarHBondContact O-N 3.1Å; F197-L286 HydrophobicContact CE1-CD1 4.15Å; F197-L286 HydrophobicContact CE2-CD1 4.47Å; F197-L286 HydrophobicContact CZ-CD1 3.65Å; F197-L286 HydrophobicContact CZ-CG 4.24Å; F225-L286 HydrophobicContact CE2-CD1 3.98Å; F225-L286 HydrophobicContact CZ-CD2 4.33Å; L228-L286 HydrophobicContact CD2-CD1 3.66Å; L229-L286 HydrophobicContact CD2-CD1 4.28Å; L229-L286 HydrophobicContact CD2-CD2 3.94Å; F249-L286 HydrophobicContact CB-CB 4.11Å; F249-L286 HydrophobicContact CB-CD1 4.23Å; F249-L286 HydrophobicContact CD1-CB 3.76Å; F249-L286 HydrophobicContact CG-CB 4.27Å; V250-L286 VanDerWaalsContact O-CA 3.31Å; V250-L286 WeakPolarHBondContact O-CA 3.48Å; D251-L286 HydrophobicContact CB-CD2 3.91Å
287F97.6Very high93Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-106.1147.2168.8-60.2-11.7000109.6I6 V192 F249 V250 I252 I285 L291 V292 I295 A321 D322 L323I6-F287 HydrophobicContact CG2-CE1 4.31Å; V192-F287 HydrophobicContact CB-CD1 4.29Å; V192-F287 HydrophobicContact CG1-CD1 3.83Å; V192-F287 HydrophobicContact CG1-CE1 3.79Å; V192-F287 HydrophobicContact CG2-CD1 3.73Å; V192-F287 HydrophobicContact CG2-CE1 4.02Å; F249-F287 CarbonylContact C-O 3.51Å; F249-F287 VanDerWaalsContact CA-O 3.28Å; F249-F287 WeakPolarHBondContact CA-O 3.43Å; F249-F287 WeakPolarHBondContact CD1-O 3.37Å; V250-F287 PolarHBondContact N-O 2.99Å; V250-F287 PolarHBondContact O-N 3.43Å; V250-F287 VanDerWaalsContact O-N 3.11Å; I252-F287 HydrophobicContact CD1-CB 3.9Å; I252-F287 HydrophobicContact CD1-CD2 3.51Å; I252-F287 HydrophobicContact CD1-CE2 4.16Å; I252-F287 HydrophobicContact CD1-CG 3.75Å; I252-F287 HydrophobicContact CG1-CB 4.14Å; I252-F287 HydrophobicContact CG1-CD1 3.96Å; I252-F287 HydrophobicContact CG1-CD2 3.5Å; I252-F287 VanDerWaalsContact CG1-CD2 3.5Å; I252-F287 HydrophobicContact CG1-CE1 4.23Å; I252-F287 HydrophobicContact CG1-CE2 3.79Å; I252-F287 HydrophobicContact CG1-CG 3.57Å; I252-F287 HydrophobicContact CG1-CZ 4.14Å; I285-F287 HydrophobicContact CG2-CD1 4.08Å; I285-F287 HydrophobicContact CG2-CE1 3.5Å; I285-F287 VanDerWaalsContact CG2-CE1 3.5Å; I285-F287 HydrophobicContact CG2-CZ 4.36Å; F287-L291 HydrophobicContact CB-CB 3.93Å; F287-L291 HydrophobicContact CB-CD1 4.07Å; F287-L291 HydrophobicContact CG-CB 4.47Å; F287-L291 HydrophobicContact CG-CD1 4.36Å; F287-V292 HydrophobicContact CB-CG2 4.06Å; F287-I295 HydrophobicContact CD2-CD1 3.74Å; F287-I295 HydrophobicContact CE2-CD1 3.88Å; F287-A321 HydrophobicContact CE1-CB 4.28Å; F287-A321 HydrophobicContact CZ-CB 3.81Å; F287-D322 WeakPolarHBondContact CE2-O 3.25Å; F287-D322 WeakPolarHBondContact CZ-O 3.35Å; F287-L323 HydrophobicContact CD1-CD2 4.21Å; F287-L323 HydrophobicContact CE1-CD2 3.55Å; F287-L323 HydrophobicContact CE1-CG 4.5Å; F287-L323 HydrophobicContact CE2-CD2 4.02Å; F287-L323 HydrophobicContact CZ-CD2 3.46Å; F287-L323 VanDerWaalsContact CZ-CD2 3.46Å; F287-L323 HydrophobicContact CZ-CG 4.15Å
288D96.2Very high91.5Very high4 Ų427.5 Ų27.52%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-66.3166.8168.773.851.8000112.4L186 N190 V191 R248 F249 K290 L291 V292L186-D288 HydrophobicContact CD2-CB 3.7Å; N190-D288 VanDerWaalsContact C-OD2 3.32Å; N190-D288 WeakPolarHBondContact CA-OD2 2.99Å; V191-D288 PolarHBondContact N-OD2 2.73Å; V191-D288 PolarHBondContact O-N 3.36Å; V191-D288 VanDerWaalsContact O-N 3.15Å; R248-D288 CarbonylContact O-C 3.53Å; R248-D288 WeakPolarHBondContact O-CA 3.49Å; F249-D288 HydrophobicContact CD1-CB 4.45Å; F249-D288 HydrophobicContact CE1-CB 4.07Å; F249-D288 HydrophobicContact CZ-CB 4.36Å; D288-K290 PolarHBondContact O-N 3.24Å; D288-K290 WeakPolarHBondContact OD1-CA 3.33Å; D288-K290 WeakPolarHBondContact OD1-CB 3.46Å; D288-K290 PolarHBondContact OD1-N 3.33Å; D288-L291 WeakPolarHBondContact O-CB 3.33Å; D288-L291 PolarHBondContact O-N 2.87Å; D288-L291 PolarHBondContact OD1-N 2.92Å; D288-V292 WeakPolarHBondContact O-CG2 3.29Å; D288-V292 PolarHBondContact O-N 3.11Å; D288-V292 VanDerWaalsContact O-N 3.15Å
289M92.6Very high89.5Confident68 Ų6830.8 Ų30.834%0.33517%0.172SC..Hα-helixtrans-58.9-39.7179.6-78.7-60.7-73.600114.4I230 R248 V250 L291 V292 E293I230-M289 HydrophobicContact CG2-CE 4.34Å; I230-M289 HydrophobicContact CG2-CG 4.11Å; I230-M289 HydrophobicContact CG2-SD 3.27Å; I230-M289 WeakPolarHBondContact CG2-SD 3.23Å; R248-M289 PolarHBondContact O-N 3.5Å; V250-M289 HydrophobicContact CG2-SD 3.86Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 3.49Å; M289-V292 PolarHBondContact O-N 3.26Å; M289-V292 VanDerWaalsContact O-N 3.14Å; M289-E293 WeakPolarHBondContact O-CG 3.49Å; M289-E293 PolarHBondContact O-N 2.88Å
290K90.6Very high87.7Confident73 Ų7336.3 Ų36.332%0.31720%0.201SC..Hα-helixtrans-65-39.5-179.7-67.2-166.3171.2-134.60110.9E146 D288 V292 E293 I294E146-K290 IonicContact OE2-NZ 2.69Å; E146-K290 PolarHBondContact OE2-NZ 3.06Å; D288-K290 PolarHBondContact O-N 3.24Å; D288-K290 WeakPolarHBondContact OD1-CA 3.33Å; D288-K290 WeakPolarHBondContact OD1-CB 3.46Å; D288-K290 PolarHBondContact OD1-N 3.33Å; K290-V292 VanDerWaalsContact C-N 3.34Å; K290-E293 PolarHBondContact O-N 2.88Å; K290-I294 VanDerWaalsContact O-CG1 3.31Å; K290-I294 WeakPolarHBondContact O-CG1 2.94Å; K290-I294 PolarHBondContact O-N 3.36Å; K290-I294 VanDerWaalsContact O-N 3.16Å
291L91.2Very high86Confident0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-61.7-43.4173-73.6173.7000111.3L150 N190 V192 F287 D288 M289 I294 I295 P324 Y325L150-L291 HydrophobicContact CD1-CD1 4.2Å; N190-L291 HydrophobicContact CB-CD1 4.19Å; N190-L291 HydrophobicContact CB-CD2 3.94Å; N190-L291 HydrophobicContact CB-CG 3.9Å; V192-L291 HydrophobicContact CG2-CD1 3.52Å; F287-L291 HydrophobicContact CB-CB 3.93Å; F287-L291 HydrophobicContact CB-CD1 4.07Å; F287-L291 HydrophobicContact CG-CB 4.47Å; F287-L291 HydrophobicContact CG-CD1 4.36Å; D288-L291 WeakPolarHBondContact O-CB 3.33Å; D288-L291 PolarHBondContact O-N 2.87Å; D288-L291 PolarHBondContact OD1-N 2.92Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-L291 PolarHBondContact O-N 3.49Å; L291-I294 WeakPolarHBondContact O-CB 3.3Å; L291-I294 PolarHBondContact O-N 3.07Å; L291-I295 WeakPolarHBondContact O-CG1 3.5Å; L291-I295 PolarHBondContact O-N 2.8Å; L291-I295 VanDerWaalsContact O-N 3.11Å; L291-P324 HydrophobicContact CD2-CG 4.07Å; L291-Y325 HydrophobicContact CD2-CE2 3.62Å; L291-Y325 WeakPolarHBondContact CD2-OH 3.41Å
292V91.3Very high85.1Confident13 Ų1344.6 Ų44.68%0.07925%0.245CC..Hα-helixtrans-68.2-36.6179.5176.70000112.6V250 I252 L255 F287 D288 M289 K290 I294 I295 T296V250-V292 HydrophobicContact CB-CG2 3.77Å; V250-V292 HydrophobicContact CG1-CG2 4.38Å; V250-V292 HydrophobicContact CG2-CB 4.32Å; V250-V292 HydrophobicContact CG2-CG1 4.35Å; V250-V292 HydrophobicContact CG2-CG2 3.71Å; I252-V292 HydrophobicContact CD1-CG2 3.92Å; L255-V292 HydrophobicContact CD2-CG1 4.4Å; F287-V292 HydrophobicContact CB-CG2 4.06Å; D288-V292 WeakPolarHBondContact O-CG2 3.29Å; D288-V292 PolarHBondContact O-N 3.11Å; D288-V292 VanDerWaalsContact O-N 3.15Å; M289-V292 PolarHBondContact O-N 3.26Å; M289-V292 VanDerWaalsContact O-N 3.14Å; K290-V292 VanDerWaalsContact C-N 3.34Å; V292-I294 VanDerWaalsContact C-N 3.28Å; V292-I294 PolarHBondContact O-N 3.08Å; V292-I295 WeakPolarHBondContact O-CA 3.36Å; V292-I295 VanDerWaalsContact O-CB 3.28Å; V292-I295 WeakPolarHBondContact O-CB 3.47Å; V292-I295 PolarHBondContact O-N 3.14Å; V292-T296 HydrophobicContact CG1-CG2 4.4Å; V292-T296 PolarHBondContact O-N 3.43Å; V292-T296 PolarHBondContact O-OG1 3.28Å
293E88Confident84.6Confident105 Ų10544.3 Ų44.349%0.49124%0.243SC..Hα-helixtrans-60.2-39171.6-72.5165.4-170.200111.5M289 K290 I295 T296 T297M289-E293 WeakPolarHBondContact O-CG 3.49Å; M289-E293 PolarHBondContact O-N 2.88Å; K290-E293 PolarHBondContact O-N 2.88Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.31Å; E293-T296 PolarHBondContact O-N 2.95Å; E293-T296 PolarHBondContact O-OG1 2.83Å; E293-T297 WeakPolarHBondContact O-CG2 2.9Å; E293-T297 PolarHBondContact O-N 3.43Å; E293-T297 PolarHBondContact O-OG1 3.22Å
294I84.8Confident84.5Confident29 Ų2948.2 Ų48.215%0.14926%0.261CS..Hα-helixtrans-62.4-41172.6-61163.9000109.9K290 L291 V292 T297 I298 P324K290-I294 VanDerWaalsContact O-CG1 3.31Å; K290-I294 WeakPolarHBondContact O-CG1 2.94Å; K290-I294 PolarHBondContact O-N 3.36Å; K290-I294 VanDerWaalsContact O-N 3.16Å; L291-I294 WeakPolarHBondContact O-CB 3.3Å; L291-I294 PolarHBondContact O-N 3.07Å; V292-I294 VanDerWaalsContact C-N 3.28Å; V292-I294 PolarHBondContact O-N 3.08Å; I294-T297 PolarHBondContact O-OG1 3.12Å; I294-T297 VanDerWaalsContact O-OG1 3.06Å; I294-I298 HydrophobicContact CG2-CD1 4.22Å; I294-I298 WeakPolarHBondContact O-CD1 3.43Å; I294-I298 WeakPolarHBondContact O-CG1 3.2Å; I294-P324 HydrophobicContact CB-CB 4.25Å; I294-P324 HydrophobicContact CB-CG 4.29Å; I294-P324 HydrophobicContact CG2-CB 3.7Å; I294-P324 HydrophobicContact CG2-CG 4.16Å
295I83.5Confident84.4Confident12 Ų1248.4 Ų48.46%0.06226%0.263CS..Hα-helixtrans-57.9-56.5175.9-59.8-179.6000111F287 L291 V292 E293 T297 I298 N301 I303 P324F287-I295 HydrophobicContact CD2-CD1 3.74Å; F287-I295 HydrophobicContact CE2-CD1 3.88Å; L291-I295 WeakPolarHBondContact O-CG1 3.5Å; L291-I295 PolarHBondContact O-N 2.8Å; L291-I295 VanDerWaalsContact O-N 3.11Å; V292-I295 WeakPolarHBondContact O-CA 3.36Å; V292-I295 VanDerWaalsContact O-CB 3.28Å; V292-I295 WeakPolarHBondContact O-CB 3.47Å; V292-I295 PolarHBondContact O-N 3.14Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.31Å; I295-T297 PolarHBondContact O-N 3.44Å; I295-I298 PolarHBondContact O-N 3.33Å; I295-I298 VanDerWaalsContact O-N 3.13Å; I295-N301 PolarHBondContact O-OD1 3.18Å; I295-I303 HydrophobicContact CB-CD1 3.88Å; I295-I303 HydrophobicContact CD1-CD1 3.51Å; I295-I303 HydrophobicContact CD1-CG2 4.46Å; I295-I303 HydrophobicContact CG1-CD1 3.28Å; I295-I303 HydrophobicContact CG2-CB 4.5Å; I295-I303 HydrophobicContact CG2-CD1 3.57Å; I295-I303 HydrophobicContact CG2-CG1 4.34Å; I295-P324 HydrophobicContact CG1-CB 4.03Å; I295-P324 HydrophobicContact CG1-CG 4.16Å
296T80.5Confident84.4Confident89 Ų8949.8 Ų49.855%0.54627%0.27SS..Hα-helixtrans-66.9-23-171.255.80000113.6V292 E293V292-T296 HydrophobicContact CG1-CG2 4.4Å; V292-T296 PolarHBondContact O-N 3.43Å; V292-T296 PolarHBondContact O-OG1 3.28Å; E293-T296 PolarHBondContact O-N 2.95Å; E293-T296 PolarHBondContact O-OG1 2.83Å
297T73.1Confident84.4Confident73 Ų7350.6 Ų50.645%0.44828%0.275SS..THydrogen-bonded Turntrans-83.6-8177.1550000114.7E293 I294 I295E293-T297 WeakPolarHBondContact O-CG2 2.9Å; E293-T297 PolarHBondContact O-N 3.43Å; E293-T297 PolarHBondContact O-OG1 3.22Å; I294-T297 PolarHBondContact O-OG1 3.12Å; I294-T297 VanDerWaalsContact O-OG1 3.06Å; I295-T297 PolarHBondContact O-N 3.44Å
298I67Low84.4Confident10 Ų1051.2 Ų51.25%0.05128%0.277CS..  trans-84.3120.4178.8-64.4153.9000109.9F141 I294 I295 D300 N301 P324F141-I298 HydrophobicContact CB-CD1 4.28Å; F141-I298 HydrophobicContact CB-CG1 3.78Å; F141-I298 HydrophobicContact CB-CG2 4.43Å; F141-I298 HydrophobicContact CD1-CG2 3.86Å; F141-I298 HydrophobicContact CD2-CB 4.39Å; F141-I298 HydrophobicContact CD2-CD1 3.14Å; F141-I298 HydrophobicContact CD2-CG1 3.53Å; F141-I298 HydrophobicContact CD2-CG2 3.92Å; F141-I298 HydrophobicContact CE1-CG2 3.83Å; F141-I298 HydrophobicContact CE2-CD1 3.44Å; F141-I298 VanDerWaalsContact CE2-CD1 3.44Å; F141-I298 HydrophobicContact CE2-CG1 4.08Å; F141-I298 HydrophobicContact CE2-CG2 3.86Å; F141-I298 HydrophobicContact CG-CD1 3.93Å; F141-I298 HydrophobicContact CG-CG1 3.77Å; F141-I298 HydrophobicContact CG-CG2 3.85Å; F141-I298 HydrophobicContact CZ-CD1 4.43Å; F141-I298 HydrophobicContact CZ-CG2 3.77Å; I294-I298 HydrophobicContact CG2-CD1 4.22Å; I294-I298 WeakPolarHBondContact O-CD1 3.43Å; I294-I298 WeakPolarHBondContact O-CG1 3.2Å; I295-I298 PolarHBondContact O-N 3.33Å; I295-I298 VanDerWaalsContact O-N 3.13Å; I298-D300 VanDerWaalsContact C-N 3.26Å; I298-D300 HydrophobicContact CG2-CB 4.21Å; I298-D300 PolarHBondContact O-N 3.02Å; I298-N301 PolarHBondContact O-ND2 3.11Å; I298-N301 PolarHBondContact O-OD1 3.45Å; I298-P324 HydrophobicContact CD1-CB 4.22Å
299S54.4Low84.4Confident109 Ų10953.6 Ų53.676%0.76229%0.294SS*.SBendtrans-58.6-38.5176.2-24.80000112.3N301S299-N301 VanDerWaalsContact C-N 3.29Å; S299-N301 PolarHBondContact O-N 3.17Å; S299-N301 VanDerWaalsContact O-N 3.13Å
300D61.2Low84.6Confident120 Ų12056.8 Ų56.864%0.64231%0.308SS*.SBendtrans-87.165.4176.8-67-23.9000110.8I298 N302I298-D300 VanDerWaalsContact C-N 3.26Å; I298-D300 HydrophobicContact CG2-CB 4.21Å; I298-D300 PolarHBondContact O-N 3.02Å; D300-N302 PolarHBondContact O-N 2.93Å
301N61.8Low84.8Confident95 Ų9554.3 Ų54.351%0.50830%0.298SS..  trans-68.431.7-169.9-112.2-20.1000115.9I295 I298 S299 I303I295-N301 PolarHBondContact O-OD1 3.18Å; I298-N301 PolarHBondContact O-ND2 3.11Å; I298-N301 PolarHBondContact O-OD1 3.45Å; S299-N301 VanDerWaalsContact C-N 3.29Å; S299-N301 PolarHBondContact O-N 3.17Å; S299-N301 VanDerWaalsContact O-N 3.13Å; N301-I303 PolarHBondContact O-N 3.15Å
302N80.1Confident84.8Confident109 Ų10959.7 Ų59.758%0.58333%0.327SS*.  trans-86.947.1-175.3-161.923.4000113.2D300D300-N302 PolarHBondContact O-N 2.93Å
303I88.8Confident84.8Confident15 Ų1561.3 Ų61.38%0.07735%0.346CS..  trans-75.2132.9168.3-73-170000108.8L256 I295 N301 D322 P324L256-I303 WeakPolarHBondContact CD1-O 3.46Å; I295-I303 HydrophobicContact CB-CD1 3.88Å; I295-I303 HydrophobicContact CD1-CD1 3.51Å; I295-I303 HydrophobicContact CD1-CG2 4.46Å; I295-I303 HydrophobicContact CG1-CD1 3.28Å; I295-I303 HydrophobicContact CG2-CB 4.5Å; I295-I303 HydrophobicContact CG2-CD1 3.57Å; I295-I303 HydrophobicContact CG2-CG1 4.34Å; N301-I303 PolarHBondContact O-N 3.15Å; I303-D322 HydrophobicContact CB-CB 4.47Å; I303-D322 HydrophobicContact CG1-CB 4.48Å; I303-D322 HydrophobicContact CG2-CB 4.01Å; I303-P324 HydrophobicContact CD1-CB 4.35Å
304Q94.7Very high85.2Confident82 Ų8256.9 Ų56.938%0.38333%0.327SS..  trans-111.8142.3176.8-55-173.5-40.200110.6Y320 A321 D322Q304-Y320 HydrophobicContact CB-CE2 3.98Å; Q304-A321 CarbonylContact O-C 3.54Å; Q304-A321 WeakPolarHBondContact O-CA 3.14Å; Q304-D322 WeakPolarHBondContact CB-OD2 3.3Å; Q304-D322 PolarHBondContact N-OD2 2.96Å; Q304-D322 PolarHBondContact O-N 2.8Å
305A97.5Very high85.8Confident4 Ų457 Ų573%0.03333%0.328CS..EExtended strand (participates in β ladder)trans-146.8132.2164.600000108.7I252 L256 H257 Y320 A321I252-A305 HydrophobicContact CB-CB 4.43Å; I252-A305 HydrophobicContact CG2-CB 3.67Å; L256-A305 HydrophobicContact CD1-CB 3.87Å; H257-A305 PolarHBondContact CD2-O 3.47Å; H257-A305 PolarHBondContact NE2-O 3.15Å; A305-Y320 WeakPolarHBondContact CA-O 3.13Å; A305-Y320 WeakPolarHBondContact CB-O 3.48Å; A305-A321 HydrophobicContact CB-CB 3.81Å
306D98.4Very high86.5Confident35 Ų3556.8 Ų56.819%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-160.5173.1179.3-146.9-21.4000111.8R260 I319 Y320R260-D306 IonicContact CZ-OD1 3.28Å; R260-D306 IonicContact CZ-OD2 2.67Å; R260-D306 IonicContact NH1-OD1 2.98Å; R260-D306 PolarHBondContact NH1-OD1 2.83Å; R260-D306 IonicContact NH1-OD2 3.13Å; R260-D306 PolarHBondContact NH1-OD2 3.13Å; R260-D306 IonicContact NH2-OD1 2.75Å; D306-I319 WeakPolarHBondContact O-CA 3.5Å; D306-Y320 HydrophobicContact CB-CE1 3.73Å; D306-Y320 WeakPolarHBondContact CB-OH 3.23Å; D306-Y320 PolarHBondContact N-O 2.79Å; D306-Y320 VanDerWaalsContact N-O 3.15Å; D306-Y320 VanDerWaalsContact O-CD1 3.3Å; D306-Y320 WeakPolarHBondContact O-CD1 3.26Å; D306-Y320 PolarHBondContact O-N 3.3Å
307L98.6Very high87.3Confident18 Ų1852.6 Ų52.69%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-91.9141.1172.453.298.1000111.7F253 A263 S309 I319F253-L307 HydrophobicContact CE2-CD2 3.99Å; F253-L307 HydrophobicContact CZ-CD2 4Å; A263-L307 HydrophobicContact CB-CD2 3.59Å; L307-S309 PolarHBondContact O-N 3.25Å; L307-I319 HydrophobicContact CB-CG2 4.16Å
308M98.1Very high88.5Confident12 Ų1249.1 Ų49.16%0.05928%0.279CS..  trans-10155177.7-53.6-178.684.500110.3L28 H310 I311 P318 Y320L28-M308 HydrophobicContact CD2-SD 4.2Å; M308-H310 PolarHBondContact O-N 3.45Å; M308-I311 HydrophobicContact CB-CB 4.48Å; M308-I311 HydrophobicContact CB-CD1 3.94Å; M308-I311 HydrophobicContact CB-CG1 4.09Å; M308-I311 HydrophobicContact CE-CD1 3.44Å; M308-I311 VanDerWaalsContact CE-CD1 3.44Å; M308-I311 WeakPolarHBondContact O-CB 3.4Å; M308-I311 PolarHBondContact O-N 3.2Å; M308-I311 HydrophobicContact SD-CD1 3.89Å; M308-P318 HydrophobicContact CB-CB 4.1Å; M308-P318 HydrophobicContact CB-CG 4.24Å; M308-P318 HydrophobicContact CG-CB 4.31Å; M308-P318 PolarHBondContact N-O 3.18Å; M308-P318 HydrophobicContact SD-CB 3.95Å; M308-P318 HydrophobicContact SD-CG 4.49Å; M308-Y320 HydrophobicContact CG-CD1 3.76Å; M308-Y320 HydrophobicContact CG-CE1 4.15Å; M308-Y320 HydrophobicContact SD-CD1 4.11Å
309S97.1Very high90Very high54 Ų5449.2 Ų49.238%0.37828%0.28SS..THydrogen-bonded Turntrans-61-15.8-173.958.90000115.1R274 L307 I311R274-S309 PolarHBondContact NH2-O 3.05Å; L307-S309 PolarHBondContact O-N 3.25Å; S309-I311 VanDerWaalsContact C-N 3.35Å
310H95.6Very high92.2Very high135 Ų13545.9 Ų45.963%0.62525%0.251SS*.THydrogen-bonded Turntrans-76.4-19.1173.362-83.3000113.2M308 N312M308-H310 PolarHBondContact O-N 3.45Å; H310-N312 PolarHBondContact O-N 3.25Å; H310-N312 PolarHBondContact O-ND2 2.84Å
311I95.1Very high93.9Very high21 Ų2140.2 Ų40.211%0.10822%0.221CC..  trans-80.9110.2178.6-63.1-172.7000110.3W9 L28 R274 M308 S309 P318W9-I311 HydrophobicContact CH2-CG2 4.25Å; W9-I311 HydrophobicContact CZ2-CG2 4.3Å; L28-I311 HydrophobicContact CD2-CD1 3.78Å; R274-I311 PolarHBondContact NH1-O 2.98Å; R274-I311 PolarHBondContact NH2-O 3.2Å; M308-I311 HydrophobicContact CB-CB 4.48Å; M308-I311 HydrophobicContact CB-CD1 3.94Å; M308-I311 HydrophobicContact CB-CG1 4.09Å; M308-I311 HydrophobicContact CE-CD1 3.44Å; M308-I311 VanDerWaalsContact CE-CD1 3.44Å; M308-I311 WeakPolarHBondContact O-CB 3.4Å; M308-I311 PolarHBondContact O-N 3.2Å; M308-I311 HydrophobicContact SD-CD1 3.89Å; S309-I311 VanDerWaalsContact C-N 3.35Å; I311-P318 HydrophobicContact CB-CG 4Å; I311-P318 HydrophobicContact CD1-CG 4.13Å; I311-P318 HydrophobicContact CG2-CG 3.84Å
312N92.3Very high95.5Very high114 Ų11435.9 Ų35.961%0.6120%0.198SC*.  trans-88.8176.8178.3-62-64000112H310H310-N312 PolarHBondContact O-N 3.25Å; H310-N312 PolarHBondContact O-ND2 2.84Å
313G91.2Very high96.1Very high46 Ų4630.7 Ų30.747%0.47417%0.17SC..SBendtrans118.7-17.1176.600000114.3
314S95.8Very high96.1Very high13 Ų1330 Ų309%0.09117%0.166CC..SBendtrans-137161.6175.6176.20000110.4N10 R274 H316N10-S314 WeakPolarHBondContact O-CB 3.4Å; N10-S314 PolarHBondContact O-OG 3.14Å; R274-S314 PolarHBondContact NH1-O 3.37Å; S314-H316 WeakPolarHBondContact CB-O 3.17Å; S314-H316 PolarHBondContact O-N 3.41Å; S314-H316 PolarHBondContact OG-N 3.01Å; S314-H316 VanDerWaalsContact OG-N 3.08Å
315D96.7Very high95.8Very high32 Ų3226.6 Ų26.617%0.17115%0.15CC..SBendtrans-64.5-14.3163.941.6-22.7000112.6N12 C266 W267 S269N12-D315 WeakPolarHBondContact CB-OD1 3.17Å; N12-D315 PolarHBondContact ND2-OD1 3.31Å; C266-D315 CarbonylContact C-O 3.51Å; C266-D315 WeakPolarHBondContact CA-O 3.2Å; W267-D315 PolarHBondContact N-O 3.47Å; W267-D315 WeakPolarHBondContact O-CB 3.34Å; S269-D315 WeakPolarHBondContact OG-CB 3.45Å
316H98.3Very high95.3Very high7 Ų727.8 Ų27.83%0.03216%0.155CC..BIsolated β-bridgetrans-104.7152.3168.9-60.7-123000112.3W9 N10 D196 T265 C266 D283 S314W9-H316 PolarHBondContact NE1-O 2.92Å; N10-H316 HydrophobicContact CB-CB 4.16Å; N10-H316 WeakPolarHBondContact O-CB 3.38Å; D196-H316 IonicContact OD2-CE1 3.77Å; D196-H316 PolarHBondContact OD2-CE1 3.36Å; T265-H316 CarbonylContact O-C 3.59Å; T265-H316 WeakPolarHBondContact O-CA 3.17Å; C266-H316 VanDerWaalsContact SG-CE1 3.56Å; C266-H316 PolarHBondContact SG-NE2 3.23Å; D283-H316 IonicContact OD1-ND1 2.71Å; D283-H316 PolarHBondContact OD1-ND1 3.2Å; D283-H316 IonicContact OD2-CE1 3.74Å; D283-H316 IonicContact OD2-CG 3.16Å; D283-H316 IonicContact OD2-ND1 3.71Å; D283-H316 PolarHBondContact OD2-ND1 3.19Å; S314-H316 WeakPolarHBondContact CB-O 3.17Å; S314-H316 PolarHBondContact O-N 3.41Å; S314-H316 PolarHBondContact OG-N 3.01Å; S314-H316 VanDerWaalsContact OG-N 3.08Å
317C98.2Very high94.8Very high0 Ų026.7 Ų26.70%015%0.148CC..  trans-98.1153.8163.571.90000110.9T265 W267T265-C317 PolarHBondContact O-N 3.06Å; W267-C317 HydrophobicContact CH2-CB 3.99Å; W267-C317 HydrophobicContact CZ3-CB 3.79Å
318P98.6Very high94.1Very high0 Ų029.5 Ų29.50%016%0.163CC..  trans-63.3154.2169.2-13.625.9000111.7S8 W9 L28 M308 I311S8-P318 WeakPolarHBondContact O-CA 3.42Å; W9-P318 HydrophobicContact CB-CB 4.07Å; W9-P318 HydrophobicContact CB-CG 4.28Å; W9-P318 HydrophobicContact CD2-CB 4.45Å; W9-P318 HydrophobicContact CD2-CG 3.7Å; W9-P318 HydrophobicContact CE3-CG 4.16Å; W9-P318 HydrophobicContact CG-CB 4.05Å; W9-P318 HydrophobicContact CG-CG 3.75Å; L28-P318 HydrophobicContact CD2-CB 3.69Å; L28-P318 HydrophobicContact CD2-CG 3.43Å; L28-P318 VanDerWaalsContact CD2-CG 3.43Å; M308-P318 HydrophobicContact CB-CB 4.1Å; M308-P318 HydrophobicContact CB-CG 4.24Å; M308-P318 HydrophobicContact CG-CB 4.31Å; M308-P318 PolarHBondContact N-O 3.18Å; M308-P318 HydrophobicContact SD-CB 3.95Å; M308-P318 HydrophobicContact SD-CG 4.49Å; I311-P318 HydrophobicContact CB-CG 4Å; I311-P318 HydrophobicContact CD1-CG 4.13Å; I311-P318 HydrophobicContact CG2-CG 3.84Å
319I98.8Very high93.4Very high13 Ų1332.1 Ų32.17%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-128.1151.8167.360.1169.5000109.1C7 S8 T265 D283 I285 D306 L307C7-I319 CarbonylContact C-O 3.55Å; C7-I319 VanDerWaalsContact CA-O 3.24Å; C7-I319 WeakPolarHBondContact CA-O 3.24Å; C7-I319 PolarHBondContact SG-O 3.43Å; C7-I319 VanDerWaalsContact SG-O 3.4Å; S8-I319 PolarHBondContact N-O 3.06Å; S8-I319 PolarHBondContact O-N 3Å; T265-I319 HydrophobicContact CG2-CG2 3.59Å; D283-I319 HydrophobicContact CB-CD1 3.77Å; D283-I319 HydrophobicContact CB-CG1 4.24Å; D283-I319 HydrophobicContact CB-CG2 4.45Å; D283-I319 WeakPolarHBondContact O-CD1 3.2Å; I285-I319 HydrophobicContact CD1-CD1 4.18Å; I285-I319 HydrophobicContact CD1-CG1 3.98Å; I285-I319 HydrophobicContact CG1-CD1 3.85Å; I285-I319 HydrophobicContact CG1-CG1 4.16Å; D306-I319 WeakPolarHBondContact O-CA 3.5Å; L307-I319 HydrophobicContact CB-CG2 4.16Å
320Y98.8Very high92.5Very high38 Ų3835.7 Ų35.715%0.14920%0.198CC..EExtended strand (participates in β ladder)trans-135.4158.4177.771.4-88.6000112.1R5 I6 Q304 A305 D306 M308R5-Y320 HydrophobicContact CG-CD2 4.31Å; I6-Y320 CarbonylContact O-C 3.57Å; I6-Y320 WeakPolarHBondContact O-CA 3.28Å; I6-Y320 WeakPolarHBondContact O-CB 3.29Å; Q304-Y320 HydrophobicContact CB-CE2 3.98Å; A305-Y320 WeakPolarHBondContact CA-O 3.13Å; A305-Y320 WeakPolarHBondContact CB-O 3.48Å; D306-Y320 HydrophobicContact CB-CE1 3.73Å; D306-Y320 WeakPolarHBondContact CB-OH 3.23Å; D306-Y320 PolarHBondContact N-O 2.79Å; D306-Y320 VanDerWaalsContact N-O 3.15Å; D306-Y320 VanDerWaalsContact O-CD1 3.3Å; D306-Y320 WeakPolarHBondContact O-CD1 3.26Å; D306-Y320 PolarHBondContact O-N 3.3Å; M308-Y320 HydrophobicContact CG-CD1 3.76Å; M308-Y320 HydrophobicContact CG-CE1 4.15Å; M308-Y320 HydrophobicContact SD-CD1 4.11Å
321A98.1Very high91.5Very high1 Ų131.5 Ų31.51%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-145.9143.7168.100000109.9I6 I252 I285 F287 Q304 A305I6-A321 HydrophobicContact CG2-CB 4.25Å; I6-A321 WeakPolarHBondContact CG2-O 3.43Å; I6-A321 PolarHBondContact N-O 2.66Å; I6-A321 PolarHBondContact O-N 3.12Å; I252-A321 HydrophobicContact CG2-CB 4.25Å; I285-A321 HydrophobicContact CB-CB 4.27Å; I285-A321 HydrophobicContact CD1-CB 4.09Å; I285-A321 HydrophobicContact CG2-CB 3.85Å; F287-A321 HydrophobicContact CE1-CB 4.28Å; F287-A321 HydrophobicContact CZ-CB 3.81Å; Q304-A321 CarbonylContact O-C 3.54Å; Q304-A321 WeakPolarHBondContact O-CA 3.14Å; A305-A321 HydrophobicContact CB-CB 3.81Å
322D95.4Very high90.5Very high4 Ų438.2 Ų38.22%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-80.2132.8170.7-72.5-28.6000110.5R3 R5 F287 I303 Q304R3-D322 VanDerWaalsContact CD-CG 3.4Å; R3-D322 WeakPolarHBondContact CD-OD2 3.36Å; R3-D322 HydrophobicContact CG-CB 4.35Å; R5-D322 IonicContact CZ-OD1 3.01Å; R5-D322 VanDerWaalsContact CZ-OD1 3.24Å; R5-D322 IonicContact NE-OD1 2.9Å; R5-D322 PolarHBondContact NE-OD1 3.3Å; R5-D322 VanDerWaalsContact NH2-CG 3.34Å; R5-D322 IonicContact NH2-OD1 2.57Å; R5-D322 PolarHBondContact NH2-OD1 3.33Å; R5-D322 IonicContact NH2-OD2 2.94Å; R5-D322 PolarHBondContact NH2-OD2 3.4Å; F287-D322 WeakPolarHBondContact CE2-O 3.25Å; F287-D322 WeakPolarHBondContact CZ-O 3.35Å; I303-D322 HydrophobicContact CB-CB 4.47Å; I303-D322 HydrophobicContact CG1-CB 4.48Å; I303-D322 HydrophobicContact CG2-CB 4.01Å; Q304-D322 WeakPolarHBondContact CB-OD2 3.3Å; Q304-D322 PolarHBondContact N-OD2 2.96Å; Q304-D322 PolarHBondContact O-N 2.8Å
323L92.7Very high89.6Confident0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-83.9153.6170.4-71166.2000110.1V4 I6 L150 V192 F287 Y325V4-L323 HydrophobicContact CB-CB 4.23Å; V4-L323 HydrophobicContact CB-CD1 4.38Å; V4-L323 HydrophobicContact CG1-CB 4.5Å; V4-L323 HydrophobicContact CG1-CD1 3.75Å; V4-L323 PolarHBondContact O-N 3.11Å; I6-L323 HydrophobicContact CG2-CG 4.29Å; L150-L323 HydrophobicContact CD2-CD1 3.98Å; V192-L323 HydrophobicContact CG2-CD2 3.55Å; F287-L323 HydrophobicContact CD1-CD2 4.21Å; F287-L323 HydrophobicContact CE1-CD2 3.55Å; F287-L323 HydrophobicContact CE1-CG 4.5Å; F287-L323 HydrophobicContact CE2-CD2 4.02Å; F287-L323 HydrophobicContact CZ-CD2 3.46Å; F287-L323 VanDerWaalsContact CZ-CD2 3.46Å; F287-L323 HydrophobicContact CZ-CG 4.15Å; L323-Y325 HydrophobicContact CB-CD2 3.92Å; L323-Y325 PolarHBondContact O-N 2.8Å
324P88.3Confident89Confident0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-75.336.1174.233.3-36.2000112.7L291 I294 I295 I298 I303L291-P324 HydrophobicContact CD2-CG 4.07Å; I294-P324 HydrophobicContact CB-CB 4.25Å; I294-P324 HydrophobicContact CB-CG 4.29Å; I294-P324 HydrophobicContact CG2-CB 3.7Å; I294-P324 HydrophobicContact CG2-CG 4.16Å; I295-P324 HydrophobicContact CG1-CB 4.03Å; I295-P324 HydrophobicContact CG1-CG 4.16Å; I298-P324 HydrophobicContact CD1-CB 4.22Å; I303-P324 HydrophobicContact CD1-CB 4.35Å
325Y88.4Confident88.5Confident11 Ų1140.3 Ų40.34%0.04322%0.217CC..EExtended strand (participates in β ladder)trans-127.9146.8-176.3-63.1-57.2000110.9V4 F138 T140 L150 N190 L291 L323V4-Y325 PolarHBondContact N-O 3.32Å; F138-Y325 HydrophobicContact CB-CD1 3.65Å; F138-Y325 HydrophobicContact CB-CE1 4.37Å; F138-Y325 HydrophobicContact CB-CG 3.98Å; F138-Y325 HydrophobicContact CD1-CG 4.18Å; F138-Y325 HydrophobicContact CD2-CD1 4.31Å; F138-Y325 HydrophobicContact CD2-CD2 4.39Å; F138-Y325 HydrophobicContact CD2-CG 4.2Å; F138-Y325 AromaticContact CG-CD1 4Å; F138-Y325 HydrophobicContact CG-CD1 4Å; F138-Y325 HydrophobicContact CG-CD2 4.43Å; F138-Y325 AromaticContact CG-CG 3.86Å; F138-Y325 HydrophobicContact CG-CG 3.86Å; T140-Y325 HydrophobicContact CG2-CD1 3.54Å; T140-Y325 HydrophobicContact CG2-CE1 3.5Å; T140-Y325 VanDerWaalsContact CG2-CE1 3.5Å; L150-Y325 HydrophobicContact CB-CE2 4.4Å; L150-Y325 HydrophobicContact CD1-CE2 4.07Å; L150-Y325 HydrophobicContact CD2-CD2 3.98Å; L150-Y325 HydrophobicContact CD2-CE2 3.84Å; L150-Y325 HydrophobicContact CG-CE2 4.32Å; N190-Y325 PolarHBondContact ND2-OH 3.16Å; L291-Y325 HydrophobicContact CD2-CE2 3.62Å; L291-Y325 WeakPolarHBondContact CD2-OH 3.41Å; L323-Y325 HydrophobicContact CB-CD2 3.92Å; L323-Y325 PolarHBondContact O-N 2.8Å
326F87.8Confident88.2Confident30 Ų3042.8 Ų42.813%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-121.6157.8165.9-57.3-94.8000111.1M1 N2 R3 F138 T139 F141M1-F326 HydrophobicContact CB-CB 4.05Å; M1-F326 HydrophobicContact CB-CD1 4.37Å; M1-F326 HydrophobicContact CB-CG 4.43Å; M1-F326 HydrophobicContact SD-CB 4.46Å; N2-F326 CarbonylContact O-C 3.52Å; N2-F326 WeakPolarHBondContact O-CA 3.36Å; N2-F326 WeakPolarHBondContact O-CB 3.49Å; R3-F326 HydrophobicContact CB-CD1 4.05Å; R3-F326 HydrophobicContact CB-CE1 3.91Å; R3-F326 HydrophobicContact CG-CE1 4.4Å; F138-F326 CarbonylContact C-O 3.57Å; F138-F326 VanDerWaalsContact CA-O 3.31Å; F138-F326 WeakPolarHBondContact CA-O 3.15Å; T139-F326 PolarHBondContact N-O 2.77Å; T139-F326 PolarHBondContact O-N 2.96Å; T139-F326 PolarHBondContact OG1-O 3.19Å; F141-F326 AromaticContact CD1-CE2 3.92Å; F141-F326 HydrophobicContact CD1-CE2 3.92Å; F141-F326 HydrophobicContact CD1-CZ 4.47Å; F141-F326 HydrophobicContact CD2-CD2 4.43Å; F141-F326 AromaticContact CD2-CE2 3.59Å; F141-F326 HydrophobicContact CD2-CE2 3.59Å; F141-F326 HydrophobicContact CD2-CZ 4.42Å; F141-F326 AromaticContact CE1-CE2 3.49Å; F141-F326 HydrophobicContact CE1-CE2 3.49Å; F141-F326 VanDerWaalsContact CE1-CE2 3.49Å; F141-F326 AromaticContact CE1-CZ 3.61Å; F141-F326 HydrophobicContact CE1-CZ 3.61Å; F141-F326 HydrophobicContact CE2-CD2 4.25Å; F141-F326 AromaticContact CE2-CE2 3.15Å; F141-F326 HydrophobicContact CE2-CE2 3.15Å; F141-F326 AromaticContact CE2-CZ 3.58Å; F141-F326 HydrophobicContact CE2-CZ 3.58Å; F141-F326 HydrophobicContact CG-CE2 4Å; F141-F326 HydrophobicContact CZ-CD2 4.48Å; F141-F326 HydrophobicContact CZ-CE1 4.49Å; F141-F326 AromaticContact CZ-CE2 3.14Å; F141-F326 HydrophobicContact CZ-CE2 3.14Å; F141-F326 AromaticContact CZ-CZ 3.14Å; F141-F326 HydrophobicContact CZ-CZ 3.14Å
327Y87.3Confident87.9Confident12 Ų1244.6 Ų44.65%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-130.3157.9171.867.6-85.5000110.5M1 N2 V4 D31 P77 L78M1-Y327 WeakPolarHBondContact CA-O 3.43Å; N2-Y327 HydrophobicContact CB-CD1 4.15Å; N2-Y327 HydrophobicContact CB-CD2 4.49Å; N2-Y327 HydrophobicContact CB-CE1 3.7Å; N2-Y327 HydrophobicContact CB-CE2 4Å; N2-Y327 PolarHBondContact N-O 3.42Å; N2-Y327 WeakPolarHBondContact ND2-CE2 3.42Å; N2-Y327 WeakPolarHBondContact O-CD1 3.33Å; N2-Y327 PolarHBondContact O-N 3.25Å; V4-Y327 HydrophobicContact CG2-CD1 3.59Å; V4-Y327 HydrophobicContact CG2-CE1 4.23Å; D31-Y327 PolarHBondContact OD1-OH 3.14Å; P77-Y327 HydrophobicContact CG-CD2 4.03Å; P77-Y327 HydrophobicContact CG-CE2 4.18Å; L78-Y327 HydrophobicContact CD1-CD1 4.44Å; L78-Y327 HydrophobicContact CD1-CE1 4.31Å; L78-Y327 HydrophobicContact CD2-CD1 3.97Å; L78-Y327 HydrophobicContact CD2-CD2 4.22Å; L78-Y327 HydrophobicContact CD2-CE1 4.49Å; L78-Y327 HydrophobicContact CD2-CG 3.78Å; L78-Y327 HydrophobicContact CG-CD1 4.36Å; L78-Y327 HydrophobicContact CG-CE1 4.39Å; L78-Y327 HydrophobicContact CG-CG 4.42Å
328N84.2Confident87.7Confident76 Ų7645 Ų4541%0.40625%0.247SC..  trans-90.3131.8171.5-174.11.5000110.1D330 L331N328-D330 PolarHBondContact O-N 2.66Å; N328-D330 PolarHBondContact OD1-N 3.38Å; N328-D330 VanDerWaalsContact OD1-N 3.13Å; N328-L331 HydrophobicContact CB-CD1 4.3Å; N328-L331 HydrophobicContact CB-CG 4.09Å; N328-L331 WeakPolarHBondContact O-CB 3.11Å; N328-L331 VanDerWaalsContact O-CD1 3.23Å; N328-L331 WeakPolarHBondContact O-CD1 3.2Å; N328-L331 VanDerWaalsContact O-CG 3.31Å; N328-L331 WeakPolarHBondContact O-CG 3.43Å; N328-L331 PolarHBondContact O-N 3.43Å; N328-L331 VanDerWaalsContact O-N 3.17Å
329S82.3Confident87.4Confident68 Ų6850.5 Ų50.548%0.47628%0.283SS..THydrogen-bonded Turntrans-57.2-32174.4-64.40000112.7N2 L331N2-S329 PolarHBondContact ND2-OG 2.81Å; S329-L331 PolarHBondContact O-N 2.67Å
330D79.9Confident87.1Confident129 Ų12955 Ų5569%0.6930%0.302SS*.THydrogen-bonded Turntrans-85.411.3-177.1-54.1-37.5000112.9N328 I332N328-D330 PolarHBondContact O-N 2.66Å; N328-D330 PolarHBondContact OD1-N 3.38Å; N328-D330 VanDerWaalsContact OD1-N 3.13Å; D330-I332 PolarHBondContact O-N 2.68Å; D330-I332 VanDerWaalsContact O-N 3.11Å
331L74.3Confident86.9Confident46 Ų4653.2 Ų53.224%0.24130%0.295CS..  trans-58.8115.2177.3-88158.5000110.8P77 I137 N328 S329 F333P77-L331 HydrophobicContact CB-CB 4.38Å; P77-L331 HydrophobicContact CG-CB 4.12Å; I137-L331 HydrophobicContact CG2-CD1 4.45Å; N328-L331 HydrophobicContact CB-CD1 4.3Å; N328-L331 HydrophobicContact CB-CG 4.09Å; N328-L331 WeakPolarHBondContact O-CB 3.11Å; N328-L331 VanDerWaalsContact O-CD1 3.23Å; N328-L331 WeakPolarHBondContact O-CD1 3.2Å; N328-L331 VanDerWaalsContact O-CG 3.31Å; N328-L331 WeakPolarHBondContact O-CG 3.43Å; N328-L331 PolarHBondContact O-N 3.43Å; N328-L331 VanDerWaalsContact O-N 3.17Å; S329-L331 PolarHBondContact O-N 2.67Å; L331-F333 HydrophobicContact CB-CE2 4.11Å; L331-F333 HydrophobicContact CB-CZ 3.93Å; L331-F333 HydrophobicContact CD1-CZ 4.17Å; L331-F333 HydrophobicContact CD2-CE1 4.25Å; L331-F333 HydrophobicContact CD2-CZ 4.36Å; L331-F333 HydrophobicContact CG-CZ 4.38Å
332I73.5Confident86.7Confident162 Ų16253.2 Ų53.283%0.83130%0.295SS*.  trans-102.2110.2169.3-57.8174.9000107.7D330D330-I332 PolarHBondContact O-N 2.68Å; D330-I332 VanDerWaalsContact O-N 3.11Å
333F73.7Confident86.4Confident33 Ų3356.4 Ų56.415%0.14531%0.31CS..  trans-80.7132.3176.8-64.2-67.1000111.4P77 K79 I137 L331 Y335P77-F333 HydrophobicContact CB-CE2 3.99Å; P77-F333 WeakPolarHBondContact O-CE2 3.28Å; K79-F333 HydrophobicContact CB-CD2 4.03Å; K79-F333 HydrophobicContact CB-CE2 4.24Å; K79-F333 HydrophobicContact CB-CG 4.5Å; I137-F333 HydrophobicContact CB-CE1 4.28Å; I137-F333 HydrophobicContact CB-CZ 4.49Å; I137-F333 HydrophobicContact CD1-CE1 4.08Å; I137-F333 HydrophobicContact CD1-CZ 4.41Å; I137-F333 HydrophobicContact CG1-CE1 3.68Å; I137-F333 HydrophobicContact CG1-CZ 4.23Å; I137-F333 HydrophobicContact CG2-CE1 4.12Å; I137-F333 HydrophobicContact CG2-CZ 3.84Å; L331-F333 HydrophobicContact CB-CE2 4.11Å; L331-F333 HydrophobicContact CB-CZ 3.93Å; L331-F333 HydrophobicContact CD1-CZ 4.17Å; L331-F333 HydrophobicContact CD2-CE1 4.25Å; L331-F333 HydrophobicContact CD2-CZ 4.36Å; L331-F333 HydrophobicContact CG-CZ 4.38Å; F333-Y335 HydrophobicContact CB-CD1 4.16Å; F333-Y335 HydrophobicContact CB-CE1 3.93Å; F333-Y335 AromaticContact CD1-CE1 3.57Å; F333-Y335 HydrophobicContact CD1-CE1 3.57Å; F333-Y335 AromaticContact CD1-CZ 3.84Å; F333-Y335 HydrophobicContact CG-CE1 4.04Å
334S77.4Confident86.3Confident124 Ų12461 Ų6187%0.86733%0.328SS*.SBendtrans-75.5-20177.658.30000114.3
335Y85.8Confident86.5Confident61 Ų6162.8 Ų62.824%0.23934%0.335CS..SBendtrans-92.6170-178.156.7-81.1000112.8K79 T81 I137 F333K79-Y335 HydrophobicContact CB-CE2 4.5Å; K79-Y335 HydrophobicContact CD-CD2 4.48Å; K79-Y335 HydrophobicContact CD-CE2 4.14Å; K79-Y335 HydrophobicContact CG-CE2 4.11Å; K79-Y335 PolarHBondContact NZ-O 2.93Å; K79-Y335 PolarHBondContact O-OH 3.46Å; T81-Y335 HydrophobicContact CG2-CD2 4.39Å; T81-Y335 HydrophobicContact CG2-CE1 4.26Å; T81-Y335 HydrophobicContact CG2-CE2 3.71Å; I137-Y335 VanDerWaalsContact CD1-OH 3.25Å; I137-Y335 WeakPolarHBondContact CD1-OH 3.35Å; F333-Y335 HydrophobicContact CB-CD1 4.16Å; F333-Y335 HydrophobicContact CB-CE1 3.93Å; F333-Y335 AromaticContact CD1-CE1 3.57Å; F333-Y335 HydrophobicContact CD1-CE1 3.57Å; F333-Y335 AromaticContact CD1-CZ 3.84Å; F333-Y335 HydrophobicContact CG-CE1 4.04Å
336S89.8Confident86.6Confident84 Ų8467.5 Ų67.559%0.58737%0.367SS*.  trans-86.7174.3173550000112K79K79-S336 VanDerWaalsContact CE-O 3.3Å; K79-S336 WeakPolarHBondContact CE-O 3.37Å
337F91.9Very high86.5Confident45 Ų4569.1 Ų69.120%0.19738%0.375CS..  trans-69153.6168.4-65.2-80.9000110N55 K79 C341 Y344N55-F337 HydrophobicContact CB-CD1 4.34Å; N55-F337 HydrophobicContact CB-CE1 4.08Å; N55-F337 VanDerWaalsContact ND2-CE1 3.34Å; N55-F337 WeakPolarHBondContact ND2-CE1 3.47Å; N55-F337 WeakPolarHBondContact OD1-CE1 3.42Å; N55-F337 WeakPolarHBondContact OD1-CZ 3.32Å; K79-F337 HydrophobicContact CB-CE1 4.35Å; K79-F337 HydrophobicContact CD-CB 4.49Å; K79-F337 HydrophobicContact CD-CD1 3.34Å; K79-F337 HydrophobicContact CD-CE1 3.45Å; K79-F337 VanDerWaalsContact CD-CE1 3.45Å; K79-F337 HydrophobicContact CD-CG 3.88Å; K79-F337 HydrophobicContact CD-CZ 4.13Å; K79-F337 HydrophobicContact CG-CD1 3.47Å; K79-F337 VanDerWaalsContact CG-CD1 3.47Å; K79-F337 HydrophobicContact CG-CE1 3.65Å; K79-F337 HydrophobicContact CG-CG 4.39Å; F337-C341 HydrophobicContact CB-CB 3.87Å; F337-Y344 HydrophobicContact CB-CE2 3.63Å; F337-Y344 PolarHBondContact N-OH 2.7Å; F337-Y344 VanDerWaalsContact N-OH 3.17Å; F337-Y344 WeakPolarHBondContact O-CE2 3.45Å
338P94.2Very high86.5Confident7 Ų768.7 Ų68.75%0.04537%0.374CS..  trans-55.8148.1171.5-27.635.9000112.1Y57 P80 T83 K340 C341Y57-P338 HydrophobicContact CE1-CB 4.19Å; Y57-P338 HydrophobicContact CE1-CG 4.16Å; P80-P338 HydrophobicContact CG-CG 4.07Å; P80-P338 VanDerWaalsContact O-CD 3.31Å; P80-P338 WeakPolarHBondContact O-CD 3.32Å; P80-P338 VanDerWaalsContact O-CG 3.24Å; P80-P338 WeakPolarHBondContact O-CG 3.48Å; T83-P338 HydrophobicContact CG2-CB 3.8Å; T83-P338 HydrophobicContact CG2-CG 3.89Å; P338-K340 PolarHBondContact O-N 2.89Å; P338-C341 VanDerWaalsContact O-CB 3.27Å; P338-C341 WeakPolarHBondContact O-CB 3.41Å; P338-C341 PolarHBondContact O-N 3.15Å
339P92.5Very high86.4Confident117 Ų11768.7 Ų68.776%0.7637%0.371SS*.THydrogen-bonded Turntrans-56.9-29.7-168.3-28.134.7000115.8C341P339-C341 VanDerWaalsContact C-N 3.35Å
340K93.3Very high85.7Confident107 Ų10774.1 Ų74.147%0.46539%0.386SS..THydrogen-bonded Turntrans-90.78.4-177.7-71.9177.1176.41750113.9H85 P338 W345H85-K340 WeakPolarHBondContact CD2-CD 3.28Å; H85-K340 WeakPolarHBondContact NE2-CB 3.32Å; H85-K340 VanDerWaalsContact NE2-CD 3.3Å; H85-K340 WeakPolarHBondContact NE2-CD 3.33Å; P338-K340 PolarHBondContact O-N 2.89Å; K340-W345 PolarHBondContact O-NE1 2.89Å
341C95.3Very high84.6Confident0 Ų076.4 Ų76.40%039%0.39CS..  trans-58137.4174.9-172.90000111.2Y57 F337 P338 P339 H343 Y344Y57-C341 HydrophobicContact CD1-CB 4.32Å; Y57-C341 HydrophobicContact CE1-CB 3.67Å; F337-C341 HydrophobicContact CB-CB 3.87Å; P338-C341 VanDerWaalsContact O-CB 3.27Å; P338-C341 WeakPolarHBondContact O-CB 3.41Å; P338-C341 PolarHBondContact O-N 3.15Å; P339-C341 VanDerWaalsContact C-N 3.35Å; C341-H343 PolarHBondContact O-N 3.06Å; C341-H343 VanDerWaalsContact O-N 3.13Å; C341-Y344 HydrophobicContact CB-CD2 3.99Å; C341-Y344 HydrophobicContact CB-CE2 4.23Å; C341-Y344 PolarHBondContact O-N 2.82Å
342S93.4Very high83.7Confident1 Ų183 Ų831%0.00742%0.419CS..G310 helixtrans-60.5-23.4177.669.10000112.7A49 G56 Y344 W345 C348A49-S342 VanDerWaalsContact O-CB 3.31Å; A49-S342 WeakPolarHBondContact O-CB 3.23Å; A49-S342 PolarHBondContact O-OG 3.42Å; G56-S342 WeakPolarHBondContact CA-OG 3.45Å; G56-S342 PolarHBondContact N-OG 3.15Å; G56-S342 WeakPolarHBondContact O-CB 3.48Å; G56-S342 PolarHBondContact O-N 2.55Å; G56-S342 PolarHBondContact O-OG 3.06Å; S342-Y344 PolarHBondContact O-N 3.14Å; S342-Y344 VanDerWaalsContact O-N 3.16Å; S342-W345 WeakPolarHBondContact O-CB 3.43Å; S342-W345 PolarHBondContact O-N 3.27Å; S342-C348 WeakPolarHBondContact O-CB 3.38Å
343H88.8Confident82.8Confident72 Ų7281.1 Ų81.133%0.33341%0.409SS..G310 helixtrans-57.5-25.1170.5-168.388.5000112.7C341 Q349C341-H343 PolarHBondContact O-N 3.06Å; C341-H343 VanDerWaalsContact O-N 3.13Å; H343-Q349 PolarHBondContact O-NE2 2.99Å
344Y91.3Very high82Confident96 Ų9684 Ų8438%0.37643%0.426SS..G310 helixtrans-95.8-1.5177.8-59.3-50.2000113.9F337 C341 S342F337-Y344 HydrophobicContact CB-CE2 3.63Å; F337-Y344 PolarHBondContact N-OH 2.7Å; F337-Y344 VanDerWaalsContact N-OH 3.17Å; F337-Y344 WeakPolarHBondContact O-CE2 3.45Å; C341-Y344 HydrophobicContact CB-CD2 3.99Å; C341-Y344 HydrophobicContact CB-CE2 4.23Å; C341-Y344 PolarHBondContact O-N 2.82Å; S342-Y344 PolarHBondContact O-N 3.14Å; S342-Y344 VanDerWaalsContact O-N 3.16Å
345W91.5Very high81.3Confident38 Ų3884.5 Ų84.514%0.14442%0.418CS..SBendtrans-71.2137.2-177.3-664.5000111.1I44 A49 F58 H60 K340 S342 Q347 C348 Q349I44-W345 HydrophobicContact CG2-CZ3 3.94Å; A49-W345 HydrophobicContact CB-CE3 3.83Å; A49-W345 HydrophobicContact CB-CZ3 3.6Å; F58-W345 HydrophobicContact CB-CH2 3.84Å; F58-W345 HydrophobicContact CB-CZ2 4.06Å; F58-W345 HydrophobicContact CD1-CH2 4.31Å; F58-W345 AromaticContact CD2-CH2 3.24Å; F58-W345 HydrophobicContact CD2-CH2 3.24Å; F58-W345 AromaticContact CD2-CZ2 3.63Å; F58-W345 HydrophobicContact CD2-CZ2 3.63Å; F58-W345 HydrophobicContact CD2-CZ3 4.11Å; F58-W345 AromaticContact CE2-CH2 3.83Å; F58-W345 HydrophobicContact CE2-CH2 3.83Å; F58-W345 HydrophobicContact CE2-CZ2 4.44Å; F58-W345 HydrophobicContact CE2-CZ3 4.26Å; F58-W345 AromaticContact CG-CH2 3.54Å; F58-W345 HydrophobicContact CG-CH2 3.54Å; F58-W345 HydrophobicContact CG-CZ2 4.09Å; H60-W345 AromaticContact NE2-CH2 3.77Å; K340-W345 PolarHBondContact O-NE1 2.89Å; S342-W345 WeakPolarHBondContact O-CB 3.43Å; S342-W345 PolarHBondContact O-N 3.27Å; W345-Q347 VanDerWaalsContact C-N 3.28Å; W345-Q347 PolarHBondContact O-N 2.76Å; W345-C348 HydrophobicContact CB-CB 4.26Å; W345-C348 CarbonylContact O-C 3.45Å; W345-C348 WeakPolarHBondContact O-CA 3.35Å; W345-C348 PolarHBondContact O-N 3.01Å; W345-Q349 PolarHBondContact O-N 3.22Å; W345-Q349 VanDerWaalsContact O-N 3.13Å
346P89.6Confident80.2Confident110 Ų11088.3 Ų88.371%0.71444%0.438SS*.G310 helixtrans-52.5-42.6-176.6-28.735.2000113.9C348 Q349P346-C348 VanDerWaalsContact C-N 3.28Å; P346-C348 PolarHBondContact O-N 2.72Å; P346-Q349 WeakPolarHBondContact O-CB 3.26Å; P346-Q349 PolarHBondContact O-N 3.39Å
347Q87.4Confident79Confident64 Ų6487.3 Ų87.330%0.29943%0.431SS..G310 helixtrans-72.1-19.5179.270.2-86.531.500113.8P42 I44 W345P42-Q347 PolarHBondContact O-NE2 2.84Å; P42-Q347 VanDerWaalsContact O-NE2 3.13Å; I44-Q347 WeakPolarHBondContact O-CG 3.19Å; I44-Q347 PolarHBondContact O-NE2 3.38Å; W345-Q347 VanDerWaalsContact C-N 3.28Å; W345-Q347 PolarHBondContact O-N 2.76Å
348C85.9Confident77.5Confident3 Ų393.1 Ų93.12%0.0246%0.456CS..G310 helixtrans-91.4-9.5175.2-62.80000112.3R46 F50 S342 W345 P346R46-C348 VanDerWaalsContact NH1-C 3.33Å; R46-C348 PolarHBondContact NH1-O 2.88Å; R46-C348 PolarHBondContact NH2-O 3.28Å; F50-C348 HydrophobicContact CB-CB 4.4Å; F50-C348 HydrophobicContact CD2-CB 4.36Å; S342-C348 WeakPolarHBondContact O-CB 3.38Å; W345-C348 HydrophobicContact CB-CB 4.26Å; W345-C348 CarbonylContact O-C 3.45Å; W345-C348 WeakPolarHBondContact O-CA 3.35Å; W345-C348 PolarHBondContact O-N 3.01Å; P346-C348 VanDerWaalsContact C-N 3.28Å; P346-C348 PolarHBondContact O-N 2.72Å
349Q82.8Confident76.3Confident76 Ų7697.9 Ų97.936%0.35549%0.485SS..SBendtrans-74.7129.8169.2-63-55.6-82.300109.8H343 W345 P346 K351H343-Q349 PolarHBondContact O-NE2 2.99Å; W345-Q349 PolarHBondContact O-N 3.22Å; W345-Q349 VanDerWaalsContact O-N 3.13Å; P346-Q349 WeakPolarHBondContact O-CB 3.26Å; P346-Q349 PolarHBondContact O-N 3.39Å; Q349-K351 HydrophobicContact CB-CG 4.48Å; Q349-K351 PolarHBondContact O-N 2.9Å
350K66.5Low74.4Confident182 Ų18299.7 Ų99.779%0.79149%0.485SS*.  trans-75.255.2165-66.2-174-179.4177.40109.2R46 Q352R46-K350 VanDerWaalsContact NH1-CG 3.32Å; K350-Q352 PolarHBondContact O-N 2.72Å
351K58Low72Confident177 Ų17798.8 Ų98.877%0.7749%0.492SS*.  trans-82.4100.9164.4-84.6-170.2175.9-1760106.3Q349 M353Q349-K351 HydrophobicContact CB-CG 4.48Å; Q349-K351 PolarHBondContact O-N 2.9Å; K351-M353 PolarHBondContact O-N 3.01Å
352Q55.2Low69.6Low183 Ų183109.4 Ų109.486%0.85554%0.538SS*.  trans-52.9114.9156.4179.7173.6-23.600105.9K350 D354K350-Q352 PolarHBondContact O-N 2.72Å; Q352-D354 PolarHBondContact O-N 3.35Å
353M54.7Low66.9Low124 Ų124113.1 Ų113.161%0.61156%0.564SS**  trans-63.4127.6168.3-72.3-173.86200106.4K351 L355K351-M353 PolarHBondContact O-N 3.01Å; M353-L355 PolarHBondContact O-N 3.18Å
354D56.7Low64.5Low94 Ų94118.8 Ų118.850%0.50359%0.59SS.*  trans-58.2134.7168.5-161.8-19.3000108.2Q352 E356 S357Q352-D354 PolarHBondContact O-N 3.35Å; D354-E356 PolarHBondContact O-N 3.41Å; D354-E356 VanDerWaalsContact O-N 3.13Å; D354-E356 PolarHBondContact OD1-N 3.18Å; D354-S357 PolarHBondContact O-N 3.31Å; D354-S357 PolarHBondContact O-OG 3.44Å
355L63.5Low61.6Low134 Ų134119.7 Ų119.770%0.70261%0.611SS**Hα-helixtrans-54.7-33.3178.4-111.5118.7000110.2M353 S357 F358 V359M353-L355 PolarHBondContact O-N 3.18Å; L355-S357 VanDerWaalsContact C-N 3.3Å; L355-S357 PolarHBondContact O-N 3.42Å; L355-F358 WeakPolarHBondContact O-CB 3.26Å; L355-F358 PolarHBondContact O-N 3.36Å; L355-V359 WeakPolarHBondContact O-CG2 3.46Å; L355-V359 PolarHBondContact O-N 3.08Å
356E61.3Low58.8Low141 Ų141127.2 Ų127.266%0.65965%0.645SS**Hα-helixtrans-57-40.6176.9-65.6-179.4171.500112.5D354 F358 V359 M360D354-E356 PolarHBondContact O-N 3.41Å; D354-E356 VanDerWaalsContact O-N 3.13Å; D354-E356 PolarHBondContact OD1-N 3.18Å; E356-F358 VanDerWaalsContact C-N 3.26Å; E356-F358 PolarHBondContact O-N 2.85Å; E356-V359 PolarHBondContact O-N 2.55Å; E356-M360 WeakPolarHBondContact O-CG 3.36Å; E356-M360 PolarHBondContact O-N 3.14Å; E356-M360 VanDerWaalsContact O-N 3.13Å
357S66.3Low56.1Low62 Ų62128.2 Ų128.243%0.43465%0.648SS.*Hα-helixtrans-69.1-23.1177.671.80000113.8D354 L355D354-S357 PolarHBondContact O-N 3.31Å; D354-S357 PolarHBondContact O-OG 3.44Å; L355-S357 VanDerWaalsContact C-N 3.3Å; L355-S357 PolarHBondContact O-N 3.42Å
358F59.9Low53.3Low168 Ų168130.9 Ų130.974%0.73767%0.669SS**Hα-helixtrans-85.5-34177.4-164.7-92.5000111.9L355 E356L355-F358 WeakPolarHBondContact O-CB 3.26Å; L355-F358 PolarHBondContact O-N 3.36Å; E356-F358 VanDerWaalsContact C-N 3.26Å; E356-F358 PolarHBondContact O-N 2.85Å
359V67.6Low50.8Low106 Ų106139.7 Ų139.764%0.64271%0.707SS**Hα-helixtrans-78.4-23.4179.7177.80000112.3L355 E356 S361L355-V359 WeakPolarHBondContact O-CG2 3.46Å; L355-V359 PolarHBondContact O-N 3.08Å; E356-V359 PolarHBondContact O-N 2.55Å; V359-S361 VanDerWaalsContact C-N 3.27Å; V359-S361 PolarHBondContact O-N 3.42Å
360M52.7Low48.2Very low156 Ų156144.9 Ų144.977%0.76873%0.732SS**  trans-65.287.8171.3-72-170.681.600110.8E356 K362E356-M360 WeakPolarHBondContact O-CG 3.36Å; E356-M360 PolarHBondContact O-N 3.14Å; E356-M360 VanDerWaalsContact O-N 3.13Å; M360-K362 PolarHBondContact O-N 3.2Å
361S44.3Very low46.3Very low88 Ų88139.6 Ų139.662%0.61572%0.722SS**  trans-51.6136.9165.562.10000108.7V359 S363V359-S361 VanDerWaalsContact C-N 3.27Å; V359-S361 PolarHBondContact O-N 3.42Å; S361-S363 PolarHBondContact O-N 2.94Å; S361-S363 PolarHBondContact O-OG 3.12Å
362K44.7Very low44.9Very low222 Ų222141.2 Ų141.297%0.96573%0.729SS**SBendtrans-59.373.6174.8-74.5177.8174.5174.70111.5M360M360-K362 PolarHBondContact O-N 3.2Å
363S36.3Very low43.6Very low80 Ų80138.3 Ų138.356%0.55972%0.724SS**  trans-115.6107.7168.453.20000107.2S361S361-S363 PolarHBondContact O-N 2.94Å; S361-S363 PolarHBondContact O-OG 3.12Å
364H37.6Very low42.4Very low190 Ų190137.8 Ų137.888%0.8873%0.733SS**  trans64.174.3166.1-59.1-38.9000118
365S32.1Very low41.1Very low115 Ų115141.6 Ų141.680%0.80475%0.747SS**  trans-112.3101.3144.5-49.20000107.9V367S365-V367 PolarHBondContact O-N 3.13Å
366K31.5Very low39.3Very low197 Ų197141.8 Ų141.886%0.85775%0.749SS**  trans-51.3124.6164.9-80.2176.6176.6174.40106.9T368K366-T368 VanDerWaalsContact C-N 3.27Å; K366-T368 PolarHBondContact O-N 3.2Å
367V32.8Very low37.7Very low130 Ų130141.9 Ų141.979%0.78876%0.759SS**  trans-63.390.5175.1177.40000107.8S365 K369S365-V367 PolarHBondContact O-N 3.13Å; V367-K369 HydrophobicContact CG1-CG 4.27Å; V367-K369 PolarHBondContact O-N 3.45Å
368T28.8Very low35.6Very low120 Ų120145 Ų14574%0.73678%0.776SS**  trans-77.599.9163.2-45.50000105.6K366 Q370K366-T368 VanDerWaalsContact C-N 3.27Å; K366-T368 PolarHBondContact O-N 3.2Å; T368-Q370 VanDerWaalsContact C-N 3.31Å; T368-Q370 PolarHBondContact O-N 2.9Å
369K32.8Very low33.9Very low188 Ų188143.7 Ų143.782%0.81778%0.782SS**  trans-58.897.5167.5-75.9-179.3175179.70107.5V367 A371V367-K369 HydrophobicContact CG1-CG 4.27Å; V367-K369 PolarHBondContact O-N 3.45Å; K369-A371 VanDerWaalsContact C-N 3.29Å; K369-A371 PolarHBondContact O-N 2.99Å
370Q28.4Very low31.8Very low186 Ų186144.1 Ų144.187%0.86979%0.79SS**  trans-68.599.9161.6-90.2178.5-2000107.5T368 F372T368-Q370 VanDerWaalsContact C-N 3.31Å; T368-Q370 PolarHBondContact O-N 2.9Å; Q370-F372 PolarHBondContact O-N 3.48Å
371A27.5Very low30.6Very low71 Ų71142.9 Ų142.959%0.58779%0.791SS**  trans-29116.2158.300000113.8K369 T373K369-A371 VanDerWaalsContact C-N 3.29Å; K369-A371 PolarHBondContact O-N 2.99Å; A371-T373 VanDerWaalsContact C-N 3.34Å; A371-T373 HydrophobicContact CB-CG2 3.82Å; A371-T373 PolarHBondContact O-N 3.04Å
372F28.8Very low29.5Very low211 Ų211144.2 Ų144.293%0.92580%0.8SS**  trans-82.289.8138.5-89.5-91.7000106.4Q370 S374Q370-F372 PolarHBondContact O-N 3.48Å; F372-S374 PolarHBondContact O-N 3.1Å
373T26.7Very low28.6Very low121 Ų121139.1 Ų139.174%0.74279%0.791SS**  trans-84.799.2169.1400000108.8A371A371-T373 VanDerWaalsContact C-N 3.34Å; A371-T373 HydrophobicContact CB-CG2 3.82Å; A371-T373 PolarHBondContact O-N 3.04Å
374S31.2Very low28Very low114 Ų114141.8 Ų141.880%0.79780%0.803SS**  trans-92.7127150.643.20000107.9F372F372-S374 PolarHBondContact O-N 3.1Å
375H28Very low27.3Very low174 Ų174143.6 Ų143.681%0.80680%0.802SS**  trans-56.2134.7-170.6-78.7-86000115.2
376N25.9Very low26.9Very low137 Ų137146 Ų14673%0.73381%0.806SS**  trans33.4113.3140.7-63.9-11.9000119.8
377T27.1Very low26.5Very low143 Ų143141.6 Ų141.688%0.87780%0.795SS**  -158135.2107.63.40000111.5
378T22Very low26.2Very low128 Ų128143.8 Ų143.879%0.78580%0.797SS**  trans-78.5129.4-174-6.80000110.8
379T26.1Very low26.3Very low140 Ų140143.5 Ų143.586%0.85980%0.8SS**  trans-151.9106.3142.218.30000108.6
380S22.9Very low26Very low116 Ų116144.2 Ų144.281%0.81180%0.803SS**  trans-71.1118170.547.90000109.9
381V26.7Very low26Very low130 Ų130144 Ų14479%0.78880%0.802SS**  trans-126.3112.1155.8-176.60000107.9
382S21Very low25.9Very low115 Ų115150.3 Ų150.380%0.80482%0.816SS**  trans-72.8127172.546.70000110.9
383C25.4Very low25.9Very low116 Ų116151.4 Ų151.478%0.78481%0.814SS**  trans-140.6100.4158.946.20000111.2
384V25.7Very low26.1Very low135 Ų135151.6 Ų151.682%0.81882%0.817SS**  trans27.9118.8142.6-170.30000118.8N386V384-N386 PolarHBondContact O-N 3.4Å
385R21.9Very low26.2Very low229 Ų229150.6 Ų150.686%0.86482%0.816SS**PPolyproline II helixtrans-59.8121.3165.3-69170.1174.3162.2-1.9111
386N24.4Very low26.2Very low166 Ų166151.9 Ų151.989%0.88882%0.819SS**PPolyproline II helixtrans-90.6117.6156.8-99.4-18.7000109.4V384V384-N386 PolarHBondContact O-N 3.4Å
387V22.4Very low26.5Very low103 Ų103156.3 Ų156.362%0.62483%0.826SS**PPolyproline II helixtrans-101143.3172.4176.70000107.2
388H26.5Very low26.6Very low177 Ų177157.9 Ų157.982%0.81982%0.823SS**  trans86.2123.6-174.3-52.4-60.7000113
389S30.3Very low27Very low114 Ų114158.2 Ų158.280%0.79783%0.825SS**  cis-147.8141.632.535.40000111.5E391S389-E391 PolarHBondContact O-N 3.13Å
390K27.4Very low27.2Very low203 Ų203160.2 Ų160.288%0.88382%0.822SS**  trans-79.7103.7173.1-75.5172.6174.8170.80108.8
391E27Very low27.5Very low182 Ų182162.2 Ų162.285%0.8582%0.822SS**  trans-117.8103155.4-79.3-167.1167.700109.5S389 R393S389-E391 PolarHBondContact O-N 3.13Å; E391-R393 PolarHBondContact O-N 3.33Å
392K27.4Very low27.7Very low203 Ų203161.8 Ų161.888%0.88382%0.82SS**  trans-73.4101.7172.7-74.3-179.3176179.50108.5
393R27.8Very low28.1Very low234 Ų234165.7 Ų165.788%0.88382%0.823SS**PPolyproline II helixtrans-68.6136.4160-77-176.6174.4-175.2-1.5109.3E391 A395E391-R393 PolarHBondContact O-N 3.33Å; R393-A395 PolarHBondContact O-N 2.84Å
394P31.1Very low28.5Very low125 Ų125171.6 Ų171.681%0.81283%0.829SS**PPolyproline II helixtrans-71.3131.2-173.328.2-31.6000110.3F396P394-F396 PolarHBondContact O-N 2.9Å
395A32.5Very low28.8Very low92 Ų92173.9 Ų173.976%0.7683%0.83SS**PPolyproline II helixtrans-62.8123.917200000109.3R393 R397R393-A395 PolarHBondContact O-N 2.84Å; A395-R397 PolarHBondContact O-N 3.48Å
396F28.7Very low29.2Very low201 Ų201173.7 Ų173.788%0.88283%0.831SS**  trans-57.299.1172.7-160.2-98.8000108.6P394 Q398P394-F396 PolarHBondContact O-N 2.9Å; F396-Q398 PolarHBondContact O-N 3.27Å; F396-Q398 VanDerWaalsContact O-N 3.1Å
397R32.2Very low29.7Very low230 Ų230173.1 Ų173.187%0.86883%0.827SS**  trans-68.2107.7175.1-82.3-176.4173.9-175.5-1.7107.7A395 T399A395-R397 PolarHBondContact O-N 3.48Å; R397-T399 PolarHBondContact O-N 3.42Å; R397-T399 VanDerWaalsContact O-N 3.08Å
398Q29.8Very low30.1Very low176 Ų176173.4 Ų173.482%0.82283%0.83SS**  trans-53.5113.4161.3-85.3175.6-11.600108.3F396 K400F396-Q398 PolarHBondContact O-N 3.27Å; F396-Q398 VanDerWaalsContact O-N 3.1Å; Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 3.2Å
399T29.6Very low30.2Very low136 Ų136172.6 Ų172.683%0.83483%0.831SS**  trans-64.396.3166.414.90000107.7R397 I401R397-T399 PolarHBondContact O-N 3.42Å; R397-T399 VanDerWaalsContact O-N 3.08Å; T399-I401 PolarHBondContact O-N 2.92Å; T399-I401 VanDerWaalsContact O-N 3.15Å
400K30.9Very low30.3Very low181 Ų181176.1 Ų176.179%0.78783%0.834SS**  trans-60.8114.2160.8-81.3-174.3174.7-178.10106.8Q398 T402Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 3.2Å; K400-T402 VanDerWaalsContact C-N 3.29Å; K400-T402 PolarHBondContact O-N 2.92Å
401I28.3Very low30.4Very low158 Ų158172.4 Ų172.481%0.8183%0.829SS**  trans-66.794.6166.6-62.5168.9000105.6T399T399-I401 PolarHBondContact O-N 2.92Å; T399-I401 VanDerWaalsContact O-N 3.15Å
402T30.6Very low30.4Very low121 Ų121169.6 Ų169.674%0.74283%0.829SS**  trans-78.2126.4169.138.60000108.2K400 R404K400-T402 VanDerWaalsContact C-N 3.29Å; K400-T402 PolarHBondContact O-N 2.92Å; T402-R404 PolarHBondContact O-N 2.82Å
403F31.1Very low30.5Very low197 Ų197165.9 Ų165.986%0.86482%0.824SS**  trans-57.4130.9173-84.3-97.4000109.3E405F403-E405 PolarHBondContact O-N 2.74Å
404R32.4Very low30.4Very low241 Ų241159.7 Ų159.791%0.90982%0.815SS**  trans-31.2114.2178.4-85.9172164.8165-5.6113.1T402T402-R404 PolarHBondContact O-N 2.82Å
405E32.4Very low30.5Very low182 Ų182160.8 Ų160.885%0.8581%0.813SS**  trans-69.2127.4154.9-76.8173.4160.900108.1F403 I407F403-E405 PolarHBondContact O-N 2.74Å; E405-I407 PolarHBondContact O-N 3.39Å
406Y30Very low30.2Very low226 Ų226165.7 Ų165.789%0.88681%0.813SS**  trans-59.3118.2173.9-104.6-105.9000109.1P408Y406-P408 WeakPolarHBondContact O-CD 3.42Å
407I34.2Very low30.3Very low154 Ų154162.7 Ų162.779%0.7981%0.806SS**  trans-86.6114.3165.4-59.8173.2000106.3E405 I409E405-I407 PolarHBondContact O-N 3.39Å; I407-I409 PolarHBondContact O-N 2.83Å
408P31.1Very low30.3Very low108 Ų108161.3 Ų161.370%0.70181%0.81SS**  trans-66.9132.1175.6-13.729.1000109.7Y406 E410Y406-P408 WeakPolarHBondContact O-CD 3.42Å; P408-E410 PolarHBondContact O-N 3.08Å
409I30.3Very low30.3Very low161 Ų161158.7 Ų158.783%0.82681%0.81SS**  trans-77.2103.2172-61170000106.6I407 T411I407-I409 PolarHBondContact O-N 2.83Å; I409-T411 PolarHBondContact O-N 3.36Å
410E31.2Very low30.4Very low187 Ų187157.2 Ų157.287%0.87481%0.806SS**  trans-70.9110.4169.8-82.2-178.6166.300109.5P408P408-E410 PolarHBondContact O-N 3.08Å
411T30.1Very low30.4Very low125 Ų125153.9 Ų153.977%0.76781%0.805SS**  trans-65139.2170.438.30000111.3I409I409-T411 PolarHBondContact O-N 3.36Å
412S26.4Very low30.9Very low123 Ų123154.5 Ų154.586%0.8681%0.808SS**  trans-40.2129.9177.8-52.10000115.2
413T30.4Very low31Very low125 Ų125157 Ų15777%0.76781%0.812SS**  trans-117.4114.4153.5430000109.7
414C26Very low30.9Very low105 Ų105154.9 Ų154.971%0.70981%0.809SS**  trans-56.1125.1166.7-174.30000109.8
415I32.5Very low31Very low148 Ų148149.8 Ų149.876%0.75981%0.805SS**  trans-128.496.6164.6-59.1-179.5000106.7
416Y25.9Very low30.9Very low195 Ų195147.5 Ų147.577%0.76580%0.804SS**  trans-69.9153.7151-87.5-92.4000108.7
417D30.2Very low31.3Very low138 Ų138145 Ų14574%0.73880%0.8SS**  trans77.993.2167.1-57.2-22.5000117.4
418Q33.5Very low31.4Very low201 Ų201143.5 Ų143.594%0.93980%0.799SS**  -154.1110.5121.5-105.6167.437.900110.9
419S29.1Very low31.9Very low120 Ų120146.6 Ų146.684%0.83981%0.808SS**  trans-71.9120169.2460000111.6
420S32.8Very low32.4Very low106 Ų106147.1 Ų147.174%0.74181%0.807SS**  trans-172.4102.8141.9560000111.3
421S30.5Very low33.1Very low111 Ų111149.5 Ų149.578%0.77681%0.808SS**  trans36.497.2136.557.70000119.5
422I37.3Very low34Very low170 Ų170153.4 Ų153.487%0.87282%0.815SS**  trans-139.3139.6139.5-59.4-176.2000108.3
423E33.4Very low35.3Very low174 Ų174155 Ų15581%0.81381%0.812SS**  trans-64.3135.4-159.9-65.7164.3145.800116.5T425E423-T425 PolarHBondContact O-N 3.28Å
424N29.4Very low36.3Very low152 Ų152157.4 Ų157.481%0.81381%0.808SS**  trans20.588.1141.4-67.2-22000118.1
425T33.6Very low38.4Very low134 Ų134155.1 Ų155.182%0.82279%0.789SS**  trans-121.895.514019.60000107.9E423 E427E423-T425 PolarHBondContact O-N 3.28Å; T425-E427 PolarHBondContact O-N 2.93Å
426T30.9Very low40Very low134 Ų134152.1 Ų152.182%0.82278%0.779SS**  trans-67.872170.314.70000109.8T428T426-T428 PolarHBondContact O-N 2.58Å
427E38.4Very low42.2Very low174 Ų174145.8 Ų145.881%0.81376%0.763SS**  trans-84.596.6154-78.2-168.9167.600107.1T425 L429T425-E427 PolarHBondContact O-N 2.93Å; E427-L429 PolarHBondContact O-N 3.05Å
428T37.2Very low44Very low123 Ų123146 Ų14676%0.75576%0.758SS**  trans-49.2100169.5-35.20000108.5T426 Q430T426-T428 PolarHBondContact O-N 2.58Å; T428-Q430 PolarHBondContact O-N 2.97Å
429L40.3Very low45.8Very low172 Ų172139.2 Ų139.290%0.90173%0.73SS**  trans-59.888.9167.3-90.5153.4000107.1E427 R431E427-L429 PolarHBondContact O-N 3.05Å; L429-R431 PolarHBondContact O-N 2.98Å
430Q42.1Very low47.7Very low173 Ų173136.4 Ų136.481%0.80871%0.714SS**  trans-56.7108.3170.5-75.3-179.8-13.500106.7T428 K432T428-Q430 PolarHBondContact O-N 2.97Å; Q430-K432 PolarHBondContact O-N 2.85Å
431R44.4Very low49.6Very low236 Ų236137.9 Ų137.989%0.89171%0.709SS**  trans-42.8110.7162.9-120.6175.4175166.6-1.6106.3L429 I433L429-R431 PolarHBondContact O-N 2.98Å; R431-I433 PolarHBondContact O-N 3.05Å
432K50.7Low51.8Low208 Ų208135.3 Ų135.390%0.90469%0.691SS**  trans-55.7105.1178-78.5-178.6179.5174.70107.2Q430 Y434Q430-K432 PolarHBondContact O-N 2.85Å; K432-Y434 PolarHBondContact O-N 3.32Å
433I52.5Low53.5Low156 Ų156130.2 Ų130.280%0.867%0.668SS**  trans-58.7122.7175.2-62.4172.5000105.9R431 D435R431-I433 PolarHBondContact O-N 3.05Å; I433-D435 PolarHBondContact O-N 3.19Å
434Y51.5Low55.4Low175 Ų175127.2 Ų127.269%0.68665%0.654SS**  trans-56.4111.9170.2171.7-98.4000107.7K432 P436K432-Y434 PolarHBondContact O-N 3.32Å; Y434-P436 HydrophobicContact CD1-CG 4.34Å; Y434-P436 HydrophobicContact CE1-CG 4.08Å; Y434-P436 WeakPolarHBondContact O-CD 3.35Å
435D71Confident57.6Low57 Ų57122.2 Ų122.231%0.30563%0.634SS.*  trans-102.2106.8-179.3-176.9-8.6000108.6I433 S437 K438 T439I433-D435 PolarHBondContact O-N 3.19Å; D435-S437 PolarHBondContact O-N 3.28Å; D435-S437 VanDerWaalsContact OD1-CB 3.26Å; D435-S437 WeakPolarHBondContact OD1-CB 3.44Å; D435-S437 PolarHBondContact OD1-N 3.04Å; D435-S437 PolarHBondContact OD1-OG 3.02Å; D435-S437 PolarHBondContact OD2-OG 3.49Å; D435-K438 HydrophobicContact CB-CB 4.22Å; D435-K438 HydrophobicContact CB-CD 4.2Å; D435-K438 HydrophobicContact CB-CG 4.23Å; D435-K438 PolarHBondContact O-N 3.45Å; D435-K438 WeakPolarHBondContact OD2-CG 3.43Å; D435-T439 PolarHBondContact O-N 3.41Å; D435-T439 PolarHBondContact O-OG1 3.41Å; D435-T439 VanDerWaalsContact O-OG1 3.09Å
436P66.3Low59.4Low85 Ų85122.5 Ų122.555%0.55262%0.62SS**Hα-helixtrans-57.7-29.9177.9-2131.6000112.3Y434 T439 A440Y434-P436 HydrophobicContact CD1-CG 4.34Å; Y434-P436 HydrophobicContact CE1-CG 4.08Å; Y434-P436 WeakPolarHBondContact O-CD 3.35Å; P436-T439 PolarHBondContact O-N 3.28Å; P436-A440 PolarHBondContact O-N 3.2Å
437S71.7Confident61.1Low63 Ų63123.9 Ų123.944%0.44161%0.61SS.*Hα-helixtrans-70.6-39.6-178.178.70000112.3D435 T439 A440 Q441D435-S437 PolarHBondContact O-N 3.28Å; D435-S437 VanDerWaalsContact OD1-CB 3.26Å; D435-S437 WeakPolarHBondContact OD1-CB 3.44Å; D435-S437 PolarHBondContact OD1-N 3.04Å; D435-S437 PolarHBondContact OD1-OG 3.02Å; D435-S437 PolarHBondContact OD2-OG 3.49Å; S437-T439 VanDerWaalsContact C-N 3.32Å; S437-T439 PolarHBondContact O-N 3.49Å; S437-A440 PolarHBondContact O-N 3.42Å; S437-Q441 PolarHBondContact O-N 3.32Å
438K67.5Low62.6Low143 Ų143119 Ų11962%0.62260%0.595SS**Hα-helixtrans-66.5-35.4173.8-75.2-179.1-176.1179.10112.1D435 Q441 S442D435-K438 HydrophobicContact CB-CB 4.22Å; D435-K438 HydrophobicContact CB-CD 4.2Å; D435-K438 HydrophobicContact CB-CG 4.23Å; D435-K438 PolarHBondContact O-N 3.45Å; D435-K438 WeakPolarHBondContact OD2-CG 3.43Å; K438-Q441 PolarHBondContact O-N 3.43Å; K438-S442 WeakPolarHBondContact O-CB 3.5Å; K438-S442 PolarHBondContact O-N 3.46Å
439T70.2Confident64.2Low58 Ų58119.3 Ų119.336%0.35659%0.592SS.*Hα-helixtrans-66-43.4175.4-42.50000110.6D435 P436 S437 S442 T443D435-T439 PolarHBondContact O-N 3.41Å; D435-T439 PolarHBondContact O-OG1 3.41Å; D435-T439 VanDerWaalsContact O-OG1 3.09Å; P436-T439 PolarHBondContact O-N 3.28Å; S437-T439 VanDerWaalsContact C-N 3.32Å; S437-T439 PolarHBondContact O-N 3.49Å; T439-S442 PolarHBondContact O-N 2.8Å; T439-T443 WeakPolarHBondContact O-CB 3.08Å; T439-T443 PolarHBondContact O-N 3.13Å; T439-T443 PolarHBondContact O-OG1 3.38Å
440A70.9Confident65.5Low60 Ų60118.3 Ų118.350%0.49658%0.58SS.*Hα-helixtrans-62-45175.200000112.3P436 S437 S442 T443 E444P436-A440 PolarHBondContact O-N 3.2Å; S437-A440 PolarHBondContact O-N 3.42Å; A440-S442 PolarHBondContact O-N 3.03Å; A440-T443 PolarHBondContact O-N 3.26Å; A440-E444 PolarHBondContact O-N 3.27Å
441Q72.6Confident66.6Low137 Ų137114.2 Ų114.264%0.6457%0.57SS**Hα-helixtrans-61.8-41.3175.3-75.7179.71.700112.6S437 K438 E444 A445S437-Q441 PolarHBondContact O-N 3.32Å; K438-Q441 PolarHBondContact O-N 3.43Å; Q441-E444 PolarHBondContact O-N 3.48Å; Q441-A445 WeakPolarHBondContact O-CB 3.11Å; Q441-A445 PolarHBondContact O-N 3.14Å
442S76.4Confident67.6Low57 Ų57105.6 Ų105.640%0.39956%0.555SS.*Hα-helixtrans-64.6-42.9175.5-177.80000111.4K438 T439 A440 E444 A445 W446K438-S442 WeakPolarHBondContact O-CB 3.5Å; K438-S442 PolarHBondContact O-N 3.46Å; T439-S442 PolarHBondContact O-N 2.8Å; A440-S442 PolarHBondContact O-N 3.03Å; S442-E444 VanDerWaalsContact C-N 3.32Å; S442-E444 PolarHBondContact O-N 3.49Å; S442-A445 PolarHBondContact O-N 2.83Å; S442-W446 WeakPolarHBondContact O-CB 3.4Å; S442-W446 PolarHBondContact O-N 3.37Å
443T72.1Confident68.6Low64 Ų64101.9 Ų101.939%0.39355%0.552SS.*Hα-helixtrans-63.1-40.6179-44.40000111.2T439 A440 W446 R447T439-T443 WeakPolarHBondContact O-CB 3.08Å; T439-T443 PolarHBondContact O-N 3.13Å; T439-T443 PolarHBondContact O-OG1 3.38Å; A440-T443 PolarHBondContact O-N 3.26Å; T443-W446 PolarHBondContact O-N 3.49Å; T443-R447 WeakPolarHBondContact O-CB 3.43Å; T443-R447 WeakPolarHBondContact O-CG 3.42Å; T443-R447 PolarHBondContact O-N 3.48Å
444E74.3Confident69.7Low110 Ų110100.9 Ų100.951%0.51454%0.542SS..Hα-helixtrans-69.7-39.9176.2-166.457.9-152.800112.2A440 Q441 S442 W446 R447 S448A440-E444 PolarHBondContact O-N 3.27Å; Q441-E444 PolarHBondContact O-N 3.48Å; S442-E444 VanDerWaalsContact C-N 3.32Å; S442-E444 PolarHBondContact O-N 3.49Å; E444-W446 VanDerWaalsContact C-N 3.34Å; E444-W446 PolarHBondContact O-N 3.17Å; E444-R447 PolarHBondContact O-N 2.95Å; E444-R447 IonicContact OE2-NH1 3.59Å; E444-S448 PolarHBondContact O-N 2.84Å
445A74.3Confident71.2Confident47 Ų4798.7 Ų98.739%0.38854%0.536SS..Hα-helixtrans-59.2-45.9173.500000111.2Q441 S442 S448 L449Q441-A445 WeakPolarHBondContact O-CB 3.11Å; Q441-A445 PolarHBondContact O-N 3.14Å; S442-A445 PolarHBondContact O-N 2.83Å; A445-S448 PolarHBondContact O-N 3.19Å; A445-S448 PolarHBondContact O-OG 3.11Å; A445-L449 WeakPolarHBondContact O-CG 3.3Å; A445-L449 PolarHBondContact O-N 2.83Å
446W71.4Confident72.2Confident140 Ų14098 Ų9853%0.5353%0.534SS..Hα-helixtrans-63.6-41.4174.6-78.1115.6000112.5S442 T443 E444 S448 L449 F450S442-W446 WeakPolarHBondContact O-CB 3.4Å; S442-W446 PolarHBondContact O-N 3.37Å; T443-W446 PolarHBondContact O-N 3.49Å; E444-W446 VanDerWaalsContact C-N 3.34Å; E444-W446 PolarHBondContact O-N 3.17Å; W446-S448 VanDerWaalsContact C-N 3.31Å; W446-S448 PolarHBondContact O-N 2.79Å; W446-L449 HydrophobicContact CE3-CD1 4.4Å; W446-L449 PolarHBondContact O-N 3.33Å; W446-F450 HydrophobicContact CB-CD2 4.36Å; W446-F450 HydrophobicContact CB-CE2 4.45Å; W446-F450 HydrophobicContact CD2-CE2 4.1Å; W446-F450 AromaticContact CE3-CD2 3.97Å; W446-F450 HydrophobicContact CE3-CD2 3.97Å; W446-F450 AromaticContact CE3-CE2 3.16Å; W446-F450 HydrophobicContact CE3-CE2 3.16Å; W446-F450 AromaticContact CE3-CZ 3.66Å; W446-F450 HydrophobicContact CE3-CZ 3.66Å; W446-F450 AromaticContact CZ3-CE2 3.63Å; W446-F450 HydrophobicContact CZ3-CE2 3.63Å; W446-F450 AromaticContact CZ3-CZ 3.62Å; W446-F450 HydrophobicContact CZ3-CZ 3.62Å; W446-F450 WeakPolarHBondContact O-CB 3.23Å; W446-F450 WeakPolarHBondContact O-CD2 3.35Å; W446-F450 PolarHBondContact O-N 2.97Å
447R67Low73.5Confident164 Ų16493.9 Ų93.962%0.61951%0.508SS*.Hα-helixtrans-61.2-37.6173.6-78.5177.8-179163-0.3112.5T443 E444 F450 S451T443-R447 WeakPolarHBondContact O-CB 3.43Å; T443-R447 WeakPolarHBondContact O-CG 3.42Å; T443-R447 PolarHBondContact O-N 3.48Å; E444-R447 PolarHBondContact O-N 2.95Å; E444-R447 IonicContact OE2-NH1 3.59Å; R447-F450 CarbonylContact O-C 3.43Å; R447-S451 WeakPolarHBondContact O-CB 3.27Å; R447-S451 PolarHBondContact O-N 3.27Å
448S69.7Low74.5Confident72 Ų7292 Ų9250%0.50349%0.494SS..Hα-helixtrans-69.3-39.5176.186.70000111.9E444 A445 W446 F450 S451E444-S448 PolarHBondContact O-N 2.84Å; A445-S448 PolarHBondContact O-N 3.19Å; A445-S448 PolarHBondContact O-OG 3.11Å; W446-S448 VanDerWaalsContact C-N 3.31Å; W446-S448 PolarHBondContact O-N 2.79Å; S448-F450 VanDerWaalsContact C-N 3.32Å; S448-F450 PolarHBondContact O-N 3.35Å; S448-S451 PolarHBondContact O-N 2.78Å; S448-S451 PolarHBondContact O-OG 3.07Å
449L70.8Confident75.8Confident129 Ų12985.2 Ų85.268%0.67546%0.464SS*.Hα-helixtrans-68.5-32.3177.5-72.3170.4000112.2A445 W446A445-L449 WeakPolarHBondContact O-CG 3.3Å; A445-L449 PolarHBondContact O-N 2.83Å; W446-L449 HydrophobicContact CE3-CD1 4.4Å; W446-L449 PolarHBondContact O-N 3.33Å
450F68.8Low76.8Confident151 Ų15186.7 Ų86.766%0.66247%0.469SS*.THydrogen-bonded Turntrans-99.32.8178-65.6-56.9000114.5W446 R447 S448 G452W446-F450 HydrophobicContact CB-CD2 4.36Å; W446-F450 HydrophobicContact CB-CE2 4.45Å; W446-F450 HydrophobicContact CD2-CE2 4.1Å; W446-F450 AromaticContact CE3-CD2 3.97Å; W446-F450 HydrophobicContact CE3-CD2 3.97Å; W446-F450 AromaticContact CE3-CE2 3.16Å; W446-F450 HydrophobicContact CE3-CE2 3.16Å; W446-F450 AromaticContact CE3-CZ 3.66Å; W446-F450 HydrophobicContact CE3-CZ 3.66Å; W446-F450 AromaticContact CZ3-CE2 3.63Å; W446-F450 HydrophobicContact CZ3-CE2 3.63Å; W446-F450 AromaticContact CZ3-CZ 3.62Å; W446-F450 HydrophobicContact CZ3-CZ 3.62Å; W446-F450 WeakPolarHBondContact O-CB 3.23Å; W446-F450 WeakPolarHBondContact O-CD2 3.35Å; W446-F450 PolarHBondContact O-N 2.97Å; R447-F450 CarbonylContact O-C 3.43Å; S448-F450 VanDerWaalsContact C-N 3.32Å; S448-F450 PolarHBondContact O-N 3.35Å; F450-G452 PolarHBondContact O-N 2.92Å
451S63.9Low77.8Confident86 Ų8686 Ų8660%0.60147%0.469SS*.SBendtrans-60.4106.516959.80000106.3R447 S448R447-S451 WeakPolarHBondContact O-CB 3.27Å; R447-S451 PolarHBondContact O-N 3.27Å; S448-S451 PolarHBondContact O-N 2.78Å; S448-S451 PolarHBondContact O-OG 3.07Å
452G66.5Low78.8Confident55 Ų5581.1 Ų81.157%0.56745%0.446SS*.  trans-53.6163.3-171.900000111.3F450 K454F450-G452 PolarHBondContact O-N 2.92Å; G452-K454 PolarHBondContact O-N 2.88Å
453P71.9Confident79.7Confident130 Ų13086.7 Ų86.784%0.84446%0.463SS*.SBendtrans-49.5137.5-179.419.9-30.9000110.7K455P453-K455 PolarHBondContact O-N 3.3Å
454K75.3Confident80.7Confident135 Ų13586.7 Ų86.759%0.58746%0.458SS*.  trans-43.4131.3177.7-68.8-178.9-176.8171.80109.8G452 D509G452-K454 PolarHBondContact O-N 2.88Å; K454-D509 IonicContact NZ-OD2 3.39Å; K454-D509 PolarHBondContact NZ-OD2 3.47Å
455K83.5Confident81.7Confident129 Ų12984.8 Ų84.856%0.56146%0.455SS*.PPolyproline II helixtrans-56.7134.3175.8-71.8-176.5-177.7-178.10109.8P453 L518P453-K455 PolarHBondContact O-N 3.3Å; K455-L518 HydrophobicContact CD-CB 4.44Å; K455-L518 WeakPolarHBondContact CD-O 3.34Å; K455-L518 PolarHBondContact NZ-O 2.85Å
456P90.4Very high82.7Confident42 Ų4283 Ų8327%0.27344%0.44SS..PPolyproline II helixtrans-64.9139.6179.527.3-35.2000110.8P465 C466 W487P456-P465 HydrophobicContact CB-CB 4.27Å; P456-P465 HydrophobicContact CG-CB 3.82Å; P456-C466 WeakPolarHBondContact CB-O 3.42Å; P456-W487 HydrophobicContact CB-CE3 4.09Å; P456-W487 HydrophobicContact CB-CH2 3.93Å; P456-W487 HydrophobicContact CB-CZ3 3.45Å; P456-W487 VanDerWaalsContact CB-CZ3 3.45Å
457P93.4Very high83.7Confident0 Ų078.6 Ų78.60%043%0.429CS..BIsolated β-bridgetrans-66.9152169.728.7-32.6000110.8C466 W487 F507 I512 K516P457-C466 HydrophobicContact CG-CB 4.2Å; P457-C466 WeakPolarHBondContact O-CB 3.31Å; P457-C466 PolarHBondContact O-N 2.9Å; P457-C466 PolarHBondContact O-SG 3.01Å; P457-W487 HydrophobicContact CG-CB 3.76Å; P457-W487 HydrophobicContact CG-CD2 3.85Å; P457-W487 HydrophobicContact CG-CE3 4.32Å; P457-W487 HydrophobicContact CG-CG 3.59Å; P457-F507 HydrophobicContact CB-CD2 3.98Å; P457-F507 HydrophobicContact CB-CE2 4.19Å; P457-F507 HydrophobicContact CG-CD2 3.87Å; P457-F507 HydrophobicContact CG-CE2 4.49Å; P457-I512 HydrophobicContact CB-CG2 3.77Å; P457-I512 HydrophobicContact CG-CD1 4.34Å; P457-I512 HydrophobicContact CG-CG2 4.24Å; P457-K516 WeakPolarHBondContact CA-O 3.47Å
458V94.1Very high85Confident22 Ų2273.8 Ų73.813%0.13341%0.414CS..BIsolated β-bridgetrans-81.1142.7173.2-680000111.6E464 K516 L518V458-E464 CarbonylContact C-O 3.6Å; V458-E464 WeakPolarHBondContact CA-O 3.13Å; V458-K516 HydrophobicContact CG2-CD 4.27Å; V458-K516 PolarHBondContact N-O 2.9Å; V458-L518 HydrophobicContact CG1-CD1 3.7Å; V458-L518 HydrophobicContact CG1-CD2 3.88Å; V458-L518 HydrophobicContact CG1-CG 3.64Å
459C94.5Very high86Confident1 Ų174.3 Ų74.31%0.00741%0.405CS..PPolyproline II helixtrans-71148.4175.9690000111.8K463 E464 C466 C489 T505C459-K463 VanDerWaalsContact O-CA 3.27Å; C459-K463 WeakPolarHBondContact O-CA 3.5Å; C459-K463 PolarHBondContact O-N 2.86Å; C459-E464 PolarHBondContact N-O 3.42Å; C459-E464 PolarHBondContact SG-N 2.72Å; C459-E464 VanDerWaalsContact SG-N 3.42Å; C459-E464 PolarHBondContact SG-O 2.73Å; C459-C466 PolarHBondContact N-SG 2.87Å; C459-C489 HydrophobicContact CB-CB 3.75Å; C459-T505 HydrophobicContact CB-CG2 4.09Å; C459-T505 WeakPolarHBondContact CB-OG1 3.49Å
460L92Very high87Confident89 Ų8971.4 Ų71.447%0.46639%0.393SS..THydrogen-bonded Turntrans-65-40-177.2-60.6177.1000112.7T505 F507 K516L460-T505 WeakPolarHBondContact CB-OG1 3.35Å; L460-T505 HydrophobicContact CG-CG2 4.22Å; L460-T505 PolarHBondContact N-OG1 3.17Å; L460-F507 HydrophobicContact CD1-CZ 4.44Å; L460-F507 HydrophobicContact CD2-CZ 3.93Å; L460-F507 HydrophobicContact CG-CZ 4.02Å; L460-K516 HydrophobicContact CD2-CD 4.26Å
461G91.2Very high88Confident47 Ų4765.4 Ų65.449%0.48537%0.368SS..THydrogen-bonded Turntrans-79.7-42.8-174.800000114.1C503G461-C503 PolarHBondContact N-SG 2.9Å
462H93.8Very high88.9Confident34 Ų3470.3 Ų70.316%0.15738%0.379CS..THydrogen-bonded Turntrans-112.9-8-170.7-40.8121.3000113.9E464 C489 R491 A501H462-E464 HydrophobicContact CB-CB 4.34Å; H462-E464 HydrophobicContact CB-CG 3.85Å; H462-E464 IonicContact ND1-OE2 2.73Å; H462-E464 PolarHBondContact O-N 2.82Å; H462-C489 PolarHBondContact ND1-SG 3.31Å; H462-R491 PolarHBondContact CD2-NH1 3.28Å; H462-R491 VanDerWaalsContact CE1-CD 3.48Å; H462-R491 WeakPolarHBondContact CE1-CD 3.39Å; H462-R491 WeakPolarHBondContact ND1-CD 3.43Å; H462-R491 PolarHBondContact ND1-NE 2.76Å; H462-A501 PolarHBondContact CE1-O 3.48Å
463K94Very high89.3Confident174 Ų17473.7 Ų73.776%0.75738%0.378SS*.  trans57.426.2-173.1-52.2-173-178.4-1800113.7C459C459-K463 VanDerWaalsContact O-CA 3.27Å; C459-K463 WeakPolarHBondContact O-CA 3.5Å; C459-K463 PolarHBondContact O-N 2.86Å
464E94.5Very high88.8Confident63 Ų6372.9 Ų72.929%0.29437%0.366SS..PPolyproline II helixtrans-96151177.9-67.7167.3171.900111.5V458 C459 H462 C466 R491V458-E464 CarbonylContact C-O 3.6Å; V458-E464 WeakPolarHBondContact CA-O 3.13Å; C459-E464 PolarHBondContact N-O 3.42Å; C459-E464 PolarHBondContact SG-N 2.72Å; C459-E464 VanDerWaalsContact SG-N 3.42Å; C459-E464 PolarHBondContact SG-O 2.73Å; H462-E464 HydrophobicContact CB-CB 4.34Å; H462-E464 HydrophobicContact CB-CG 3.85Å; H462-E464 IonicContact ND1-OE2 2.73Å; H462-E464 PolarHBondContact O-N 2.82Å; E464-C466 PolarHBondContact O-N 3.48Å; E464-R491 IonicContact OE1-CZ 2.71Å; E464-R491 IonicContact OE1-NE 3.67Å; E464-R491 PolarHBondContact OE1-NE 3.02Å; E464-R491 IonicContact OE1-NH2 2.72Å; E464-R491 PolarHBondContact OE1-NH2 2.74Å; E464-R491 WeakPolarHBondContact OE2-CG 3.24Å; E464-R491 IonicContact OE2-CZ 3.46Å; E464-R491 IonicContact OE2-NE 2.71Å; E464-R491 PolarHBondContact OE2-NE 3.05Å; E464-R491 IonicContact OE2-NH2 3.13Å
465P94.2Very high88.1Confident70 Ų7074.7 Ų74.746%0.45537%0.374SS..BIsolated β-bridgetrans-51.5128.4173-28.336.4000113P456 L518P456-P465 HydrophobicContact CB-CB 4.27Å; P456-P465 HydrophobicContact CG-CB 3.82Å; P465-L518 HydrophobicContact CG-CD1 4.39Å
466C95Very high86.9Confident9 Ų971.4 Ų71.46%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-73.1156.1174.6-68.70000111.7P456 P457 C459 E464 W487 V488P456-C466 WeakPolarHBondContact CB-O 3.42Å; P457-C466 HydrophobicContact CG-CB 4.2Å; P457-C466 WeakPolarHBondContact O-CB 3.31Å; P457-C466 PolarHBondContact O-N 2.9Å; P457-C466 PolarHBondContact O-SG 3.01Å; C459-C466 PolarHBondContact N-SG 2.87Å; E464-C466 PolarHBondContact O-N 3.48Å; C466-W487 HydrophobicContact CB-CB 3.92Å; C466-W487 HydrophobicContact CB-CE3 3.98Å; C466-W487 WeakPolarHBondContact O-CZ3 3.49Å; C466-V488 CarbonylContact C-O 3.59Å; C466-V488 VanDerWaalsContact CA-O 3.31Å; C466-V488 WeakPolarHBondContact CA-O 3.48Å; C466-V488 VanDerWaalsContact CB-O 3.24Å; C466-V488 WeakPolarHBondContact CB-O 3.34Å
467V93.4Very high85.4Confident49 Ų4976.7 Ų76.730%0.29740%0.396SS..EExtended strand (participates in β ladder)trans-98.6135.3168.267.40000109.9V488 A490V467-V488 HydrophobicContact CG1-CG2 3.81Å; V467-V488 PolarHBondContact N-O 3.28Å; V467-V488 PolarHBondContact O-N 3.49Å; V467-A490 HydrophobicContact CB-CB 4.22Å; V467-A490 HydrophobicContact CG1-CB 4.34Å
468M93.7Very high83.9Confident63 Ų6385.2 Ų85.231%0.3143%0.434SS..EExtended strand (participates in β ladder)trans-84.4143176.1-175.9179.673.100111.6R485 F486 W487M468-R485 VanDerWaalsContact CE-CZ 3.46Å; M468-R485 HydrophobicContact CG-CB 4.37Å; M468-R485 PolarHBondContact SD-NE 3.27Å; M468-R485 PolarHBondContact SD-NH2 2.89Å; M468-F486 CarbonylContact C-O 3.51Å; M468-F486 WeakPolarHBondContact CA-O 3.37Å; M468-W487 HydrophobicContact CB-CD2 3.97Å; M468-W487 HydrophobicContact CB-CE3 3.65Å; M468-W487 HydrophobicContact CB-CH2 3.83Å; M468-W487 HydrophobicContact CB-CZ2 4.11Å; M468-W487 HydrophobicContact CB-CZ3 3.57Å; M468-W487 HydrophobicContact CG-CD2 4.4Å; M468-W487 HydrophobicContact CG-CH2 4.46Å; M468-W487 HydrophobicContact CG-CZ2 4.29Å; M468-W487 HydrophobicContact SD-CH2 4.16Å; M468-W487 HydrophobicContact SD-CZ2 3.9Å
469R91.9Very high82.7Confident82 Ų8286 Ų8631%0.30945%0.446SS..EExtended strand (participates in β ladder)trans-135.5160.3177-60.9-66.6178.1120.3-1109.6R270 R485 F486 V488R270-R469 PolarHBondContact O-NH1 3.45Å; R469-R485 CarbonylContact O-C 3.56Å; R469-R485 VanDerWaalsContact O-CA 3.27Å; R469-R485 WeakPolarHBondContact O-CA 3.22Å; R469-F486 HydrophobicContact CB-CD1 4.46Å; R469-F486 HydrophobicContact CB-CD2 4.31Å; R469-F486 HydrophobicContact CB-CE1 3.91Å; R469-F486 HydrophobicContact CB-CE2 3.74Å; R469-F486 HydrophobicContact CB-CZ 3.52Å; R469-F486 HydrophobicContact CG-CE2 4.32Å; R469-F486 HydrophobicContact CG-CZ 4.4Å; R469-F486 PolarHBondContact N-O 3.37Å; R469-F486 PolarHBondContact O-N 3.23Å; R469-V488 HydrophobicContact CG-CG2 4.2Å
470T91.7Very high81.6Confident69 Ų6990 Ų9042%0.42347%0.473SS..EExtended strand (participates in β ladder)trans-122.2135.5179.4-54.10000109.8K472 G483 R484 R485T470-K472 PolarHBondContact O-N 2.65Å; T470-G483 WeakPolarHBondContact CG2-O 3.35Å; T470-R484 WeakPolarHBondContact CA-O 3.35Å; T470-R485 HydrophobicContact CG2-CG 4.43Å
471V88.7Confident80.9Confident24 Ų2489.2 Ų89.215%0.14546%0.464CS..  trans-68.4118.4174.9178.40000109.4R481 G483 R484 F486 W508V471-R481 VanDerWaalsContact CB-O 3.28Å; V471-R481 WeakPolarHBondContact CB-O 3.45Å; V471-R481 HydrophobicContact CG1-CB 4.35Å; V471-R481 WeakPolarHBondContact CG1-O 3.27Å; V471-G483 PolarHBondContact O-N 3.46Å; V471-R484 PolarHBondContact N-O 3.44Å; V471-F486 HydrophobicContact CG2-CD1 3.94Å; V471-F486 HydrophobicContact CG2-CE1 3.8Å; V471-W508 HydrophobicContact CG2-CH2 4.18Å; V471-W508 HydrophobicContact CG2-CZ3 4.13Å
472K82.3Confident80.4Confident190 Ų19090.9 Ų90.983%0.82646%0.462SS*.  trans-100.5-17177.5-66.3-172.2177.1-174.20114.3T470 L482T470-K472 PolarHBondContact O-N 2.65Å; K472-L482 VanDerWaalsContact C-CD1 3.46Å; K472-L482 WeakPolarHBondContact O-CD1 3.42Å
473K74.9Confident80Confident126 Ų12691.5 Ų91.555%0.54848%0.477SS..  trans-81.1136.7179-78.1-162.9172.9-164.50110.7E163E163-K473 IonicContact OE1-NZ 3.43Å; E163-K473 PolarHBondContact OE1-NZ 2.95Å; E163-K473 IonicContact OE2-NZ 2.96Å
474L62.5Low79.8Confident113 Ų11386.5 Ų86.559%0.59245%0.454SS*.SBendtrans-70.5-28.9-174.4-148.689.1000113.3S480 L482L474-S480 WeakPolarHBondContact O-CA 3.45Å; L474-S480 VanDerWaalsContact O-CB 3.28Å; L474-S480 WeakPolarHBondContact O-CB 3.15Å; L474-S480 PolarHBondContact O-OG 3.27Å; L474-S480 VanDerWaalsContact O-OG 3.08Å; L474-L482 HydrophobicContact CD1-CD1 4.47Å; L474-L482 HydrophobicContact CD1-CD2 3.54Å
475K60Low79.7Confident172 Ų17289 Ų8975%0.74846%0.46SS*.  trans-137.6132.3-173.8-68.2-174.9179.3-179.20111.5
476T58.6Low79.6Confident61 Ų6187.4 Ų87.437%0.37445%0.447SS..BIsolated β-bridgetrans-110.7165.2157.666.70000108K478 G479T476-K478 PolarHBondContact O-N 2.91Å; T476-K478 PolarHBondContact OG1-N 3.47Å; T476-G479 PolarHBondContact N-O 2.9Å; T476-G479 PolarHBondContact O-N 2.9Å; T476-G479 VanDerWaalsContact O-N 3.07Å; T476-G479 PolarHBondContact OG1-O 3.28Å
477T59Low79.6Confident153 Ų15387.8 Ų87.894%0.93945%0.447SS*.THydrogen-bonded Turntrans-54.8-19.3171.939.80000113.5
478K62.2Low79.7Confident179 Ų17986.1 Ų86.178%0.77844%0.436SS*.THydrogen-bonded Turntrans-106.821.1-179.7-60.6-173.7177.6-176.20113.7T476T476-K478 PolarHBondContact O-N 2.91Å; T476-K478 PolarHBondContact OG1-N 3.47Å
479G69.2Low79.7Confident38 Ų3883.1 Ų83.139%0.39242%0.422SS..BIsolated β-bridgetrans104-177.1-18000000114.8T476T476-G479 PolarHBondContact N-O 2.9Å; T476-G479 PolarHBondContact O-N 2.9Å; T476-G479 VanDerWaalsContact O-N 3.07Å; T476-G479 PolarHBondContact OG1-O 3.28Å
480S71.7Confident79.9Confident84 Ų8481.6 Ų81.659%0.58743%0.427SS*.  trans-80.4121.1177.7-179.20000110.4L474 L482L474-S480 WeakPolarHBondContact O-CA 3.45Å; L474-S480 VanDerWaalsContact O-CB 3.28Å; L474-S480 WeakPolarHBondContact O-CB 3.15Å; L474-S480 PolarHBondContact O-OG 3.27Å; L474-S480 VanDerWaalsContact O-OG 3.08Å; S480-L482 PolarHBondContact OG-N 3.34Å
481R75.5Confident80.1Confident73 Ų7381.2 Ų81.228%0.27542%0.417SS..  trans-11218.1168.2-64.7-168.7-177.1-147.70.5111.3V471 G483 R484V471-R481 VanDerWaalsContact CB-O 3.28Å; V471-R481 WeakPolarHBondContact CB-O 3.45Å; V471-R481 HydrophobicContact CG1-CB 4.35Å; V471-R481 WeakPolarHBondContact CG1-O 3.27Å; R481-G483 PolarHBondContact O-N 3Å; R481-R484 HydrophobicContact CB-CB 4.46Å; R481-R484 HydrophobicContact CB-CG 4.33Å; R481-R484 VanDerWaalsContact O-CB 3.3Å; R481-R484 WeakPolarHBondContact O-CB 3.5Å; R481-R484 PolarHBondContact O-N 3.34Å
482L81.7Confident80.4Confident82 Ų8280.8 Ų80.843%0.42942%0.415SS..THydrogen-bonded Turntrans-52.1132.2-178-175.472.6000110.3K472 L474 S480 R484K472-L482 VanDerWaalsContact C-CD1 3.46Å; K472-L482 WeakPolarHBondContact O-CD1 3.42Å; L474-L482 HydrophobicContact CD1-CD1 4.47Å; L474-L482 HydrophobicContact CD1-CD2 3.54Å; S480-L482 PolarHBondContact OG-N 3.34Å; L482-R484 PolarHBondContact O-N 3.09Å
483G84.7Confident81Confident47 Ų4774.8 Ų74.849%0.48539%0.39SS..THydrogen-bonded Turntrans80.4-12179.700000115T470 V471 R481T470-G483 WeakPolarHBondContact CG2-O 3.35Å; V471-G483 PolarHBondContact O-N 3.46Å; R481-G483 PolarHBondContact O-N 3Å
484R90.5Very high82Confident69 Ų6969.5 Ų69.526%0.2637%0.372SS..  trans-63.8140.3173.9-69.9-168.666.2-179.40.5110.9T470 V471 R481 L482 W508 D510T470-R484 WeakPolarHBondContact CA-O 3.35Å; V471-R484 PolarHBondContact N-O 3.44Å; R481-R484 HydrophobicContact CB-CB 4.46Å; R481-R484 HydrophobicContact CB-CG 4.33Å; R481-R484 VanDerWaalsContact O-CB 3.3Å; R481-R484 WeakPolarHBondContact O-CB 3.5Å; R481-R484 PolarHBondContact O-N 3.34Å; L482-R484 PolarHBondContact O-N 3.09Å; R484-W508 HydrophobicContact CB-CE3 4.22Å; R484-W508 HydrophobicContact CB-CZ3 3.73Å; R484-D510 IonicContact CZ-OD1 3.86Å; R484-D510 IonicContact CZ-OD2 3.98Å; R484-D510 IonicContact NH2-OD1 2.85Å; R484-D510 PolarHBondContact NH2-OD1 2.91Å; R484-D510 IonicContact NH2-OD2 3Å; R484-D510 PolarHBondContact NH2-OD2 3.22Å
485R91.9Very high83.5Confident115 Ų11565.8 Ų65.843%0.43436%0.357SS..EExtended strand (participates in β ladder)trans-101144.7179.5-70.1162.668.7167.3-7110.7M468 R469 T470 D509M468-R485 VanDerWaalsContact CE-CZ 3.46Å; M468-R485 HydrophobicContact CG-CB 4.37Å; M468-R485 PolarHBondContact SD-NE 3.27Å; M468-R485 PolarHBondContact SD-NH2 2.89Å; R469-R485 CarbonylContact O-C 3.56Å; R469-R485 VanDerWaalsContact O-CA 3.27Å; R469-R485 WeakPolarHBondContact O-CA 3.22Å; T470-R485 HydrophobicContact CG2-CG 4.43Å; R485-D509 HydrophobicContact CB-CB 3.77Å; R485-D509 WeakPolarHBondContact O-CB 3.28Å; R485-D509 PolarHBondContact O-N 3.1Å
486F93.7Very high84.9Confident38 Ų3864.1 Ų64.117%0.16737%0.367CS..EExtended strand (participates in β ladder)trans-147.5157.8178.164.1-87.9000110.5M468 R469 V471 V488 F506 F507 W508M468-F486 CarbonylContact C-O 3.51Å; M468-F486 WeakPolarHBondContact CA-O 3.37Å; R469-F486 HydrophobicContact CB-CD1 4.46Å; R469-F486 HydrophobicContact CB-CD2 4.31Å; R469-F486 HydrophobicContact CB-CE1 3.91Å; R469-F486 HydrophobicContact CB-CE2 3.74Å; R469-F486 HydrophobicContact CB-CZ 3.52Å; R469-F486 HydrophobicContact CG-CE2 4.32Å; R469-F486 HydrophobicContact CG-CZ 4.4Å; R469-F486 PolarHBondContact N-O 3.37Å; R469-F486 PolarHBondContact O-N 3.23Å; V471-F486 HydrophobicContact CG2-CD1 3.94Å; V471-F486 HydrophobicContact CG2-CE1 3.8Å; F486-V488 HydrophobicContact CD2-CG1 3.77Å; F486-V488 HydrophobicContact CE2-CG1 3.72Å; F486-F506 HydrophobicContact CB-CE1 4.35Å; F486-F506 HydrophobicContact CB-CE2 4.01Å; F486-F506 HydrophobicContact CB-CZ 3.72Å; F486-F506 HydrophobicContact CD1-CE2 4.49Å; F486-F506 AromaticContact CD2-CD2 3.86Å; F486-F506 HydrophobicContact CD2-CD2 3.86Å; F486-F506 AromaticContact CD2-CE2 3.23Å; F486-F506 HydrophobicContact CD2-CE2 3.23Å; F486-F506 AromaticContact CD2-CZ 3.86Å; F486-F506 HydrophobicContact CD2-CZ 3.86Å; F486-F506 HydrophobicContact CE2-CD2 4.34Å; F486-F506 AromaticContact CE2-CE2 3.73Å; F486-F506 HydrophobicContact CE2-CE2 3.73Å; F486-F506 AromaticContact CG-CE2 3.68Å; F486-F506 HydrophobicContact CG-CE2 3.68Å; F486-F506 AromaticContact CG-CZ 3.8Å; F486-F506 HydrophobicContact CG-CZ 3.8Å; F486-F507 CarbonylContact C-O 3.54Å; F486-F507 WeakPolarHBondContact CA-O 3.28Å; F486-F507 WeakPolarHBondContact CB-O 3.3Å; F486-W508 HydrophobicContact CB-CD2 4.49Å; F486-W508 HydrophobicContact CB-CE3 3.93Å; F486-W508 HydrophobicContact CB-CZ3 4.13Å; F486-W508 HydrophobicContact CD1-CZ3 4.22Å
487W94.4Very high86.4Confident17 Ų1767.9 Ų67.96%0.06439%0.385CS..EExtended strand (participates in β ladder)trans-109.9135.2-178.6-62.191.7000110P456 P457 C466 M468 F506 F507 D509P456-W487 HydrophobicContact CB-CE3 4.09Å; P456-W487 HydrophobicContact CB-CH2 3.93Å; P456-W487 HydrophobicContact CB-CZ3 3.45Å; P456-W487 VanDerWaalsContact CB-CZ3 3.45Å; P457-W487 HydrophobicContact CG-CB 3.76Å; P457-W487 HydrophobicContact CG-CD2 3.85Å; P457-W487 HydrophobicContact CG-CE3 4.32Å; P457-W487 HydrophobicContact CG-CG 3.59Å; C466-W487 HydrophobicContact CB-CB 3.92Å; C466-W487 HydrophobicContact CB-CE3 3.98Å; C466-W487 WeakPolarHBondContact O-CZ3 3.49Å; M468-W487 HydrophobicContact CB-CD2 3.97Å; M468-W487 HydrophobicContact CB-CE3 3.65Å; M468-W487 HydrophobicContact CB-CH2 3.83Å; M468-W487 HydrophobicContact CB-CZ2 4.11Å; M468-W487 HydrophobicContact CB-CZ3 3.57Å; M468-W487 HydrophobicContact CG-CD2 4.4Å; M468-W487 HydrophobicContact CG-CH2 4.46Å; M468-W487 HydrophobicContact CG-CZ2 4.29Å; M468-W487 HydrophobicContact SD-CH2 4.16Å; M468-W487 HydrophobicContact SD-CZ2 3.9Å; W487-F506 WeakPolarHBondContact O-CA 3.47Å; W487-F507 HydrophobicContact CB-CB 4.32Å; W487-F507 PolarHBondContact N-O 3.15Å; W487-F507 PolarHBondContact O-N 2.61Å; W487-D509 PolarHBondContact NE1-OD1 3.4Å
488V94.3Very high88.1Confident13 Ų1363.1 Ų63.18%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-133.5158.6173.9-66.80000110.4C466 V467 R469 F486 A490 T505 F506C466-V488 CarbonylContact C-O 3.59Å; C466-V488 VanDerWaalsContact CA-O 3.31Å; C466-V488 WeakPolarHBondContact CA-O 3.48Å; C466-V488 VanDerWaalsContact CB-O 3.24Å; C466-V488 WeakPolarHBondContact CB-O 3.34Å; V467-V488 HydrophobicContact CG1-CG2 3.81Å; V467-V488 PolarHBondContact N-O 3.28Å; V467-V488 PolarHBondContact O-N 3.49Å; R469-V488 HydrophobicContact CG-CG2 4.2Å; F486-V488 HydrophobicContact CD2-CG1 3.77Å; F486-V488 HydrophobicContact CE2-CG1 3.72Å; V488-A490 PolarHBondContact O-N 3.05Å; V488-T505 WeakPolarHBondContact CA-O 3.39Å; V488-F506 HydrophobicContact CG1-CD2 3.86Å
489C95Very high89.5Confident0 Ų061.4 Ų61.40%035%0.349CS..EExtended strand (participates in β ladder)trans-55.6133.9172.8170.40000111C459 H462 R491 R502C459-C489 HydrophobicContact CB-CB 3.75Å; H462-C489 PolarHBondContact ND1-SG 3.31Å; C489-R491 VanDerWaalsContact C-N 3.29Å; C489-R491 PolarHBondContact O-N 2.82Å; C489-R502 HydrophobicContact CB-CG 3.66Å; C489-R502 PolarHBondContact O-NE 2.94Å
490A94.6Very high90.7Very high50 Ų5062 Ų6241%0.41335%0.35SS..SBendtrans-74.2-17.7-174.300000113.8V467 V488V467-A490 HydrophobicContact CB-CB 4.22Å; V467-A490 HydrophobicContact CG1-CB 4.34Å; V488-A490 PolarHBondContact O-N 3.05Å
491R96.1Very high91.8Very high61 Ų6158.2 Ų58.223%0.2332%0.324CS..SBendtrans-58.7154.1176.5-67.7-160.3-172.8-171.4-11.4112.4H462 E464 C489 Q499 A500 R502H462-R491 PolarHBondContact CD2-NH1 3.28Å; H462-R491 VanDerWaalsContact CE1-CD 3.48Å; H462-R491 WeakPolarHBondContact CE1-CD 3.39Å; H462-R491 WeakPolarHBondContact ND1-CD 3.43Å; H462-R491 PolarHBondContact ND1-NE 2.76Å; E464-R491 IonicContact OE1-CZ 2.71Å; E464-R491 IonicContact OE1-NE 3.67Å; E464-R491 PolarHBondContact OE1-NE 3.02Å; E464-R491 IonicContact OE1-NH2 2.72Å; E464-R491 PolarHBondContact OE1-NH2 2.74Å; E464-R491 WeakPolarHBondContact OE2-CG 3.24Å; E464-R491 IonicContact OE2-CZ 3.46Å; E464-R491 IonicContact OE2-NE 2.71Å; E464-R491 PolarHBondContact OE2-NE 3.05Å; E464-R491 IonicContact OE2-NH2 3.13Å; C489-R491 VanDerWaalsContact C-N 3.29Å; C489-R491 PolarHBondContact O-N 2.82Å; R491-Q499 PolarHBondContact NH1-O 2.86Å; R491-A500 WeakPolarHBondContact CD-O 3.22Å; R491-R502 PolarHBondContact O-NE 3.16Å; R491-R502 PolarHBondContact O-NH2 3.43Å
492P96.1Very high92.7Very high15 Ų1557.9 Ų57.910%0.09732%0.323CS..PPolyproline II helixtrans-59.5148.1176.725-36.7000112.1T271 N272 Q275 T276 A501 R502T271-P492 CarbonylContact O-C 3.57Å; T271-P492 WeakPolarHBondContact O-CA 3.46Å; N272-P492 HydrophobicContact CB-CB 3.93Å; N272-P492 WeakPolarHBondContact O-CB 3.26Å; Q275-P492 HydrophobicContact CB-CB 4.07Å; Q275-P492 HydrophobicContact CB-CG 4.03Å; T276-P492 HydrophobicContact CG2-CB 3.96Å; T276-P492 HydrophobicContact CG2-CG 3.54Å; P492-A501 CarbonylContact O-C 3.52Å; P492-A501 WeakPolarHBondContact O-CA 3.19Å; P492-R502 WeakPolarHBondContact O-CB 3.23Å; P492-R502 PolarHBondContact O-N 2.96Å
493Q95.3Very high93.3Very high64 Ų6455.2 Ų55.230%0.29931%0.311SS..PPolyproline II helixtrans-63.9137.8171.6175.2176.7900109.8T271 A273 T276 Y278T271-Q493 HydrophobicContact CG2-CB 4.46Å; T271-Q493 PolarHBondContact O-N 2.8Å; T271-Q493 PolarHBondContact OG1-OE1 2.98Å; A273-Q493 HydrophobicContact CB-CB 4.41Å; T276-Q493 PolarHBondContact OG1-O 3.28Å; Y278-Q493 HydrophobicContact CD1-CG 3.82Å; Y278-Q493 HydrophobicContact CE1-CG 4.03Å
494G95.6Very high93.7Very high16 Ų1658.6 Ų58.617%0.16533%0.327CS..  trans-160.1-179177.900000111.8Y278 A501Y278-G494 VanDerWaalsContact CD2-C 3.41Å; G494-A501 VanDerWaalsContact CA-CB 3.49Å
495A93.4Very high93.9Very high35 Ų3555.5 Ų55.529%0.28932%0.315SS..  trans-59.9150.8173.500000110.4Y278 D497 N498Y278-A495 HydrophobicContact CD2-CB 4.35Å; Y278-A495 VanDerWaalsContact CD2-N 3.26Å; Y278-A495 HydrophobicContact CE2-CB 4.41Å; A495-D497 WeakPolarHBondContact CB-OD1 3.39Å; A495-D497 PolarHBondContact O-N 3.39Å; A495-N498 WeakPolarHBondContact O-CB 3.34Å; A495-N498 PolarHBondContact O-N 3.26Å; A495-N498 VanDerWaalsContact O-N 3.08Å
496S89.4Confident94Very high136 Ų13654.3 Ų54.395%0.95131%0.314SS*.THydrogen-bonded Turntrans-65.9-24.5-173.546.30000113.8
497D90.6Very high94Very high140 Ų14053.5 Ų53.575%0.74931%0.31SS*.THydrogen-bonded Turntrans-84.7-12.1176.163.4-24.9000113.2A495 Q499A495-D497 WeakPolarHBondContact CB-OD1 3.39Å; A495-D497 PolarHBondContact O-N 3.39Å; D497-Q499 PolarHBondContact O-N 3.01Å
498N93.3Very high93.9Very high54 Ų5454.6 Ų54.629%0.28931%0.314SS..  trans-81.5109.1179-175.4-22.2000110.6A495 A500 A501A495-N498 WeakPolarHBondContact O-CB 3.34Å; A495-N498 PolarHBondContact O-N 3.26Å; A495-N498 VanDerWaalsContact O-N 3.08Å; N498-A500 VanDerWaalsContact O-N 3.15Å; N498-A500 WeakPolarHBondContact OD1-CA 3.46Å; N498-A500 WeakPolarHBondContact OD1-CB 3.02Å; N498-A500 PolarHBondContact OD1-N 3.43Å; N498-A500 PolarHBondContact O-N 3.34Å; N498-A501 HydrophobicContact CB-CB 3.93Å; N498-A501 WeakPolarHBondContact O-CB 3.32Å; N498-A501 PolarHBondContact O-N 3.08Å
499Q92.4Very high93.7Very high142 Ų14255.2 Ų55.266%0.66432%0.317SS*.THydrogen-bonded Turntrans-60.4-26.5180-169.361.529.800113.7R491 D497 A501R491-Q499 PolarHBondContact NH1-O 2.86Å; D497-Q499 PolarHBondContact O-N 3.01Å; Q499-A501 VanDerWaalsContact C-N 3.27Å
500A94.3Very high93.4Very high52 Ų5260.2 Ų60.243%0.4334%0.344SS..THydrogen-bonded Turntrans-79.4-10.9175.600000112.9R491 N498R491-A500 WeakPolarHBondContact CD-O 3.22Å; N498-A500 VanDerWaalsContact O-N 3.15Å; N498-A500 WeakPolarHBondContact OD1-CA 3.46Å; N498-A500 WeakPolarHBondContact OD1-CB 3.02Å; N498-A500 PolarHBondContact OD1-N 3.43Å; N498-A500 PolarHBondContact O-N 3.34Å
501A95.7Very high93.1Very high4 Ų463.3 Ų63.33%0.03335%0.35CS..SBendtrans-79.1165.9-179.600000113.1T276 H462 P492 G494 N498 Q499 C503T276-A501 HydrophobicContact CG2-CB 4.21Å; H462-A501 PolarHBondContact CE1-O 3.48Å; P492-A501 CarbonylContact O-C 3.52Å; P492-A501 WeakPolarHBondContact O-CA 3.19Å; G494-A501 VanDerWaalsContact CA-CB 3.49Å; N498-A501 HydrophobicContact CB-CB 3.93Å; N498-A501 WeakPolarHBondContact O-CB 3.32Å; N498-A501 PolarHBondContact O-N 3.08Å; Q499-A501 VanDerWaalsContact C-N 3.27Å; A501-C503 PolarHBondContact O-N 2.99Å
502R94.4Very high92.5Very high66 Ų6661.8 Ų61.825%0.24935%0.346CS..PPolyproline II helixtrans-62.4122.9175.9-173.2-178-71.3152.79.9110.7C489 R491 P492C489-R502 HydrophobicContact CB-CG 3.66Å; C489-R502 PolarHBondContact O-NE 2.94Å; R491-R502 PolarHBondContact O-NE 3.16Å; R491-R502 PolarHBondContact O-NH2 3.43Å; P492-R502 WeakPolarHBondContact O-CB 3.23Å; P492-R502 PolarHBondContact O-N 2.96Å
503C94.7Very high91.8Very high26 Ų2663.9 Ų63.918%0.17636%0.36CS..PPolyproline II helixtrans-72.7166.7169.967.90000111.7G461 A501 T505G461-C503 PolarHBondContact N-SG 2.9Å; A501-C503 PolarHBondContact O-N 2.99Å; C503-T505 PolarHBondContact SG-OG1 3.18Å; C503-T505 PolarHBondContact O-N 3.27Å
504S92.4Very high90.8Very high118 Ų11869.7 Ų69.783%0.82538%0.384SS*.SBendtrans-67.212.7-176.8580000115.9F506S504-F506 PolarHBondContact O-N 3.15Å
505T93.6Very high89.8Confident3 Ų376.3 Ų76.32%0.01842%0.415CS..  trans-67.1125.3-177.4-55.80000111.9C459 L460 V488 C503 F507C459-T505 HydrophobicContact CB-CG2 4.09Å; C459-T505 WeakPolarHBondContact CB-OG1 3.49Å; L460-T505 WeakPolarHBondContact CB-OG1 3.35Å; L460-T505 HydrophobicContact CG-CG2 4.22Å; L460-T505 PolarHBondContact N-OG1 3.17Å; V488-T505 WeakPolarHBondContact CA-O 3.39Å; C503-T505 PolarHBondContact SG-OG1 3.18Å; C503-T505 PolarHBondContact O-N 3.27Å; T505-F507 HydrophobicContact CG2-CD2 3.84Å; T505-F507 HydrophobicContact CG2-CE1 4.41Å; T505-F507 HydrophobicContact CG2-CE2 3.3Å; T505-F507 HydrophobicContact CG2-CZ 3.64Å
506F94.1Very high88.4Confident91 Ų9178 Ų7840%0.39942%0.416SS..EExtended strand (participates in β ladder)trans-144.5125172.9-177.8-81000109.6F486 W487 V488 S504 W508F486-F506 HydrophobicContact CB-CE1 4.35Å; F486-F506 HydrophobicContact CB-CE2 4.01Å; F486-F506 HydrophobicContact CB-CZ 3.72Å; F486-F506 HydrophobicContact CD1-CE2 4.49Å; F486-F506 AromaticContact CD2-CD2 3.86Å; F486-F506 HydrophobicContact CD2-CD2 3.86Å; F486-F506 AromaticContact CD2-CE2 3.23Å; F486-F506 HydrophobicContact CD2-CE2 3.23Å; F486-F506 AromaticContact CD2-CZ 3.86Å; F486-F506 HydrophobicContact CD2-CZ 3.86Å; F486-F506 HydrophobicContact CE2-CD2 4.34Å; F486-F506 AromaticContact CE2-CE2 3.73Å; F486-F506 HydrophobicContact CE2-CE2 3.73Å; F486-F506 AromaticContact CG-CE2 3.68Å; F486-F506 HydrophobicContact CG-CE2 3.68Å; F486-F506 AromaticContact CG-CZ 3.8Å; F486-F506 HydrophobicContact CG-CZ 3.8Å; W487-F506 WeakPolarHBondContact O-CA 3.47Å; V488-F506 HydrophobicContact CG1-CD2 3.86Å; S504-F506 PolarHBondContact O-N 3.15Å; F506-W508 HydrophobicContact CZ-CH2 4.1Å; F506-W508 HydrophobicContact CZ-CZ2 3.71Å; F506-W508 AromaticContact CZ-CZ2 3.71Å; F506-W508 AromaticContact CZ-CE2 3.82Å; F506-W508 HydrophobicContact CZ-CD2 4.25Å; F506-W508 AromaticContact CE1-NE1 3.59Å; F506-W508 AromaticContact CE1-CZ2 3.94Å; F506-W508 HydrophobicContact CE1-CG 4.22Å; F506-W508 AromaticContact CE1-CE2 3.6Å; F506-W508 HydrophobicContact CE1-CD2 4.05Å; F506-W508 AromaticContact CE1-CD1 3.99Å; F506-W508 HydrophobicContact CE1-CZ2 3.94Å
507F93.6Very high87.1Confident21 Ų2175.6 Ų75.69%0.09239%0.392CS..EExtended strand (participates in β ladder)trans-130.3136.9172.7-53.8-56.2000110.1P457 L460 F486 W487 T505 P513 K516P457-F507 HydrophobicContact CB-CD2 3.98Å; P457-F507 HydrophobicContact CB-CE2 4.19Å; P457-F507 HydrophobicContact CG-CD2 3.87Å; P457-F507 HydrophobicContact CG-CE2 4.49Å; L460-F507 HydrophobicContact CD1-CZ 4.44Å; L460-F507 HydrophobicContact CD2-CZ 3.93Å; L460-F507 HydrophobicContact CG-CZ 4.02Å; F486-F507 CarbonylContact C-O 3.54Å; F486-F507 WeakPolarHBondContact CA-O 3.28Å; F486-F507 WeakPolarHBondContact CB-O 3.3Å; W487-F507 HydrophobicContact CB-CB 4.32Å; W487-F507 PolarHBondContact N-O 3.15Å; W487-F507 PolarHBondContact O-N 2.61Å; T505-F507 HydrophobicContact CG2-CD2 3.84Å; T505-F507 HydrophobicContact CG2-CE1 4.41Å; T505-F507 HydrophobicContact CG2-CE2 3.3Å; T505-F507 HydrophobicContact CG2-CZ 3.64Å; F507-P513 HydrophobicContact CD1-CG 4.33Å; F507-P513 HydrophobicContact CE1-CG 4.13Å; F507-K516 HydrophobicContact CZ-CG 4.46Å
508W92.8Very high85.6Confident39 Ų3975.3 Ų75.315%0.14839%0.39CS..EExtended strand (participates in β ladder)trans-70.3143.5164.4-69104.7000109.5V471 R484 F486 F506 D510 Q511 I512V471-W508 HydrophobicContact CG2-CH2 4.18Å; V471-W508 HydrophobicContact CG2-CZ3 4.13Å; R484-W508 HydrophobicContact CB-CE3 4.22Å; R484-W508 HydrophobicContact CB-CZ3 3.73Å; F486-W508 HydrophobicContact CB-CD2 4.49Å; F486-W508 HydrophobicContact CB-CE3 3.93Å; F486-W508 HydrophobicContact CB-CZ3 4.13Å; F486-W508 HydrophobicContact CD1-CZ3 4.22Å; F506-W508 HydrophobicContact CZ-CH2 4.1Å; F506-W508 HydrophobicContact CZ-CZ2 3.71Å; F506-W508 AromaticContact CZ-CZ2 3.71Å; F506-W508 AromaticContact CZ-CE2 3.82Å; F506-W508 HydrophobicContact CZ-CD2 4.25Å; F506-W508 AromaticContact CE1-NE1 3.59Å; F506-W508 AromaticContact CE1-CZ2 3.94Å; F506-W508 HydrophobicContact CE1-CG 4.22Å; F506-W508 AromaticContact CE1-CE2 3.6Å; F506-W508 HydrophobicContact CE1-CD2 4.05Å; F506-W508 AromaticContact CE1-CD1 3.99Å; F506-W508 HydrophobicContact CE1-CZ2 3.94Å; W508-D510 WeakPolarHBondContact CB-OD1 3.47Å; W508-D510 PolarHBondContact O-N 2.99Å; W508-Q511 PolarHBondContact O-N 3.4Å; W508-Q511 CarbonylContact O-C 3.38Å; W508-Q511 HydrophobicContact CB-CG 3.98Å; W508-Q511 HydrophobicContact CB-CB 3.98Å; W508-I512 PolarHBondContact O-N 3.01Å
509D90.8Very high85.3Confident27 Ų2776.4 Ų76.414%0.14440%0.395CS..THydrogen-bonded Turntrans-60.3-30.1-179.1-174.963.2000112.8K454 R485 W487K454-D509 IonicContact NZ-OD2 3.39Å; K454-D509 PolarHBondContact NZ-OD2 3.47Å; R485-D509 HydrophobicContact CB-CB 3.77Å; R485-D509 WeakPolarHBondContact O-CB 3.28Å; R485-D509 PolarHBondContact O-N 3.1Å; W487-D509 PolarHBondContact NE1-OD1 3.4Å
510D88.6Confident84.9Confident104 Ų10472.9 Ų72.956%0.55638%0.381SS*.THydrogen-bonded Turntrans-84.8-4.2175.157.6-50.9000113.8R484 W508R484-D510 IonicContact CZ-OD1 3.86Å; R484-D510 IonicContact CZ-OD2 3.98Å; R484-D510 IonicContact NH2-OD1 2.85Å; R484-D510 PolarHBondContact NH2-OD1 2.91Å; R484-D510 IonicContact NH2-OD2 3Å; R484-D510 PolarHBondContact NH2-OD2 3.22Å; W508-D510 WeakPolarHBondContact CB-OD1 3.47Å; W508-D510 PolarHBondContact O-N 2.99Å
511Q88.1Confident84.4Confident116 Ų11674.1 Ų74.154%0.54238%0.378SS..  trans-133.842-173.7-50.4178.5-8.300111.8W508 P513W508-Q511 PolarHBondContact O-N 3.4Å; W508-Q511 CarbonylContact O-C 3.38Å; W508-Q511 HydrophobicContact CB-CG 3.98Å; W508-Q511 HydrophobicContact CB-CB 3.98Å; Q511-P513 WeakPolarHBondContact O-CD 3.26Å
512I83.8Confident83.7Confident29 Ų2978.2 Ų78.215%0.14940%0.398CS..  trans-79.4124.1177.3-54.9172.9000109.1P457 W508 K514 L517P457-I512 HydrophobicContact CB-CG2 3.77Å; P457-I512 HydrophobicContact CG-CD1 4.34Å; P457-I512 HydrophobicContact CG-CG2 4.24Å; W508-I512 PolarHBondContact O-N 3.01Å; I512-K514 PolarHBondContact O-N 2.75Å; I512-L517 HydrophobicContact CD1-CD2 4.3Å; I512-L517 HydrophobicContact CG2-CD2 3.84Å; I512-L517 HydrophobicContact CG2-CG 3.96Å
513P80.2Confident83Confident59 Ų5978.9 Ų78.938%0.38341%0.408SS..  trans-60132.4173.9-21.732.8000111.1F507 Q511 N515 K516F507-P513 HydrophobicContact CD1-CG 4.33Å; F507-P513 HydrophobicContact CE1-CG 4.13Å; Q511-P513 WeakPolarHBondContact O-CD 3.26Å; P513-N515 PolarHBondContact O-N 3.02Å; P513-N515 VanDerWaalsContact O-N 3.1Å; P513-K516 HydrophobicContact CB-CB 4.47Å; P513-K516 HydrophobicContact CB-CG 4.1Å; P513-K516 HydrophobicContact CG-CG 4.4Å; P513-K516 PolarHBondContact O-N 3Å
514K74.3Confident82.2Confident186 Ų18682.5 Ų82.581%0.80942%0.423SS*.G310 helixtrans-52.4-37.3-178.2-69.7-175.9178.4-179.70112.9I512 K516I512-K514 PolarHBondContact O-N 2.75Å; K514-K516 PolarHBondContact O-N 3.07Å; K514-K516 VanDerWaalsContact O-N 3.15Å
515N75.3Confident81.5Confident154 Ų15479.9 Ų79.982%0.82439%0.394SS*.G310 helixtrans-76.95.5-177-49.80.9000113.9P513P513-N515 PolarHBondContact O-N 3.02Å; P513-N515 VanDerWaalsContact O-N 3.1Å
516K64.2Low80.6Confident70 Ų7085.8 Ų85.830%0.30442%0.423SS..G310 helixtrans-119.2-1.6-177.6-64.1-65.4-179.5-1770113.7P457 V458 L460 F507 P513 K514P457-K516 WeakPolarHBondContact CA-O 3.47Å; V458-K516 HydrophobicContact CG2-CD 4.27Å; V458-K516 PolarHBondContact N-O 2.9Å; L460-K516 HydrophobicContact CD2-CD 4.26Å; F507-K516 HydrophobicContact CZ-CG 4.46Å; P513-K516 HydrophobicContact CB-CB 4.47Å; P513-K516 HydrophobicContact CB-CG 4.1Å; P513-K516 HydrophobicContact CG-CG 4.4Å; P513-K516 PolarHBondContact O-N 3Å; K514-K516 PolarHBondContact O-N 3.07Å; K514-K516 VanDerWaalsContact O-N 3.15Å
517L63.2Low79.5Confident86 Ų8685.4 Ų85.445%0.4543%0.425SS..BIsolated β-bridgetrans-81.1134.3169.6-67.7166.7000108.8I512I512-L517 HydrophobicContact CD1-CD2 4.3Å; I512-L517 HydrophobicContact CG2-CD2 3.84Å; I512-L517 HydrophobicContact CG2-CG 3.96Å
518L58.8Low78.2Confident134 Ų13491.3 Ų91.370%0.70246%0.456SS*.  trans-730175.8-80.4163.9000113.7K455 V458 P465K455-L518 HydrophobicContact CD-CB 4.44Å; K455-L518 WeakPolarHBondContact CD-O 3.34Å; K455-L518 PolarHBondContact NZ-O 2.85Å; V458-L518 HydrophobicContact CG1-CD1 3.7Å; V458-L518 HydrophobicContact CG1-CD2 3.88Å; V458-L518 HydrophobicContact CG1-CG 3.64Å; P465-L518 HydrophobicContact CG-CD1 4.39Å

Retrieved 518 of 518 residues in 1106.8 ms (Link to these results)

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