A0A087WNV6_MOUSE Loading...

5'-3' exoribonuclease 1

AlphaFold DB , UniProt , Accession A0A087WNV6, Species MOUSE (Mus musculus, Mouse), Gene Xrn1, Length 969 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
1M43Very low77.4Confident101 Ų10139.5 Ų39.550%0.49819%0.187SC..  0-175.30-62.6176.2-81.400107.9R100 D206M1-R100 PolarHBondContact SD-NH1 3.03Å; M1-R100 PolarHBondContact SD-NH2 3.49Å; M1-R100 VanDerWaalsContact SD-NH2 3.42Å; M1-D206 WeakPolarHBondContact CA-OD1 3.32Å; M1-D206 VanDerWaalsContact CB-OD1 3.31Å; M1-D206 WeakPolarHBondContact CB-OD1 3.47Å; M1-D206 VanDerWaalsContact CE-OD2 3.28Å; M1-D206 WeakPolarHBondContact CE-OD2 3.41Å; M1-D206 PolarHBondContact N-OD1 3.14Å
2G61Low78.3Confident5 Ų546.1 Ų46.15%0.05222%0.218CC..  trans80.7-126.5-179.500000113.5P4 D208 D292G2-P4 WeakPolarHBondContact O-CD 3.16Å; G2-D208 WeakPolarHBondContact CA-OD1 3.32Å; G2-D208 WeakPolarHBondContact CA-OD2 3.24Å; G2-D292 WeakPolarHBondContact CA-OD1 3.46Å; G2-D292 PolarHBondContact N-OD1 3.05Å
3V70.9Confident79.1Confident4 Ų449.7 Ų49.72%0.02423%0.228CC..SBendtrans-87.4112177.5-165.90000111.8K5 F6 V289 G290 I302V3-K5 PolarHBondContact O-N 3.05Å; V3-F6 HydrophobicContact CB-CB 3.65Å; V3-F6 HydrophobicContact CB-CD2 4.39Å; V3-F6 HydrophobicContact CB-CG 4.07Å; V3-F6 HydrophobicContact CG1-CB 3.83Å; V3-F6 HydrophobicContact CG1-CD2 4.12Å; V3-F6 HydrophobicContact CG1-CG 4.23Å; V3-F6 VanDerWaalsContact O-CB 3.24Å; V3-F6 WeakPolarHBondContact O-CB 3.46Å; V3-F6 PolarHBondContact O-N 2.9Å; V3-V289 HydrophobicContact CG1-CB 4.49Å; V3-V289 HydrophobicContact CG1-CG1 3.97Å; V3-G290 VanDerWaalsContact CG2-O 3.29Å; V3-G290 WeakPolarHBondContact CG2-O 3.44Å; V3-I302 HydrophobicContact CG1-CD1 3.67Å; V3-I302 HydrophobicContact CG1-CG1 4.49Å
4P67.7Low80.1Confident42 Ų4246.6 Ų46.627%0.27321%0.213SC..THydrogen-bonded Turntrans-60.8134.9-176.2-23.634.3000112.9G2 F6 E561G2-P4 WeakPolarHBondContact O-CD 3.16Å; P4-F6 PolarHBondContact O-N 2.8Å; P4-E561 VanDerWaalsContact CB-OE1 3.26Å; P4-E561 WeakPolarHBondContact CB-OE1 3.34Å
5K79.9Confident80.6Confident91 Ų9146.5 Ų46.540%0.39622%0.219SC..THydrogen-bonded Turntrans60.95.8-179.2-55.5177.1-176-178.80115.7V3 Y7 R8 W9 N303V3-K5 PolarHBondContact O-N 3.05Å; K5-Y7 PolarHBondContact O-N 2.75Å; K5-R8 WeakPolarHBondContact O-CB 3.4Å; K5-R8 PolarHBondContact O-N 3.35Å; K5-W9 PolarHBondContact O-N 2.72Å; K5-N303 WeakPolarHBondContact CD-OD1 3.32Å; K5-N303 WeakPolarHBondContact CE-OD1 3.38Å; K5-N303 PolarHBondContact NZ-ND2 3.41Å; K5-N303 VanDerWaalsContact NZ-ND2 3.19Å; K5-N303 PolarHBondContact NZ-OD1 2.89Å
6F87.4Confident81.2Confident1 Ų145.8 Ų45.80%0.00422%0.22CC..Hα-helixtrans-59-49.3-176.9-175.9-105.3000113.5V3 P4 R8 W9 I10 A207 I210 M211 W282 I302 L307V3-F6 HydrophobicContact CB-CB 3.65Å; V3-F6 HydrophobicContact CB-CD2 4.39Å; V3-F6 HydrophobicContact CB-CG 4.07Å; V3-F6 HydrophobicContact CG1-CB 3.83Å; V3-F6 HydrophobicContact CG1-CD2 4.12Å; V3-F6 HydrophobicContact CG1-CG 4.23Å; V3-F6 VanDerWaalsContact O-CB 3.24Å; V3-F6 WeakPolarHBondContact O-CB 3.46Å; V3-F6 PolarHBondContact O-N 2.9Å; P4-F6 PolarHBondContact O-N 2.8Å; F6-R8 PolarHBondContact O-N 3.11Å; F6-W9 PolarHBondContact O-N 3.18Å; F6-W9 VanDerWaalsContact O-N 3.11Å; F6-I10 HydrophobicContact CD1-CD1 4.47Å; F6-I10 HydrophobicContact CD1-CG2 4.29Å; F6-I10 HydrophobicContact CD2-CG2 4.35Å; F6-I10 HydrophobicContact CE1-CD1 4.22Å; F6-I10 HydrophobicContact CE1-CG2 3.85Å; F6-I10 HydrophobicContact CE2-CG2 3.93Å; F6-I10 HydrophobicContact CZ-CG2 3.65Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 2.94Å; F6-A207 HydrophobicContact CB-CB 4.08Å; F6-A207 HydrophobicContact CD1-CB 4.16Å; F6-I210 HydrophobicContact CD1-CD1 4.28Å; F6-I210 HydrophobicContact CE1-CD1 4.34Å; F6-I210 HydrophobicContact CE1-CG2 4.41Å; F6-M211 HydrophobicContact CE1-CE 3.69Å; F6-M211 HydrophobicContact CE2-CE 3.88Å; F6-M211 HydrophobicContact CZ-CE 3.3Å; F6-W282 HydrophobicContact CE1-CH2 4.24Å; F6-W282 AromaticContact CZ-CH2 3.54Å; F6-W282 HydrophobicContact CZ-CH2 3.54Å; F6-W282 AromaticContact CZ-CZ2 3.85Å; F6-W282 HydrophobicContact CZ-CZ2 3.85Å; F6-I302 HydrophobicContact CB-CD1 3.88Å; F6-I302 HydrophobicContact CD2-CD1 3.76Å; F6-I302 HydrophobicContact CG-CD1 4.35Å; F6-L307 HydrophobicContact CD2-CD1 3.88Å; F6-L307 HydrophobicContact CE2-CD1 3.7Å; F6-L307 HydrophobicContact CE2-CD2 4.4Å
7Y87.8Confident81.7Confident28 Ų2843.1 Ų43.111%0.1121%0.207CC..Hα-helixtrans-53.9-41.5176.9171.9-99.1000112.6K5 I10 S11 I210 F230 L249K5-Y7 PolarHBondContact O-N 2.75Å; Y7-I10 WeakPolarHBondContact O-CG1 3.36Å; Y7-S11 VanDerWaalsContact O-CB 3.29Å; Y7-S11 WeakPolarHBondContact O-CB 3.47Å; Y7-S11 PolarHBondContact O-N 3.34Å; Y7-S11 PolarHBondContact O-OG 2.98Å; Y7-I210 HydrophobicContact CD2-CD1 4.38Å; Y7-F230 HydrophobicContact CD1-CZ 4.4Å; Y7-L249 HydrophobicContact CD2-CD1 3.96Å; Y7-L249 HydrophobicContact CE2-CD1 3.6Å
8R86.1Confident82.1Confident104 Ų10442.7 Ų42.739%0.39221%0.209SC..Hα-helixtrans-65.2-49.6178.2179.9179.1173.5177.5-3.7110.6K5 F6 I10 S11 E12 F230K5-R8 WeakPolarHBondContact O-CB 3.4Å; K5-R8 PolarHBondContact O-N 3.35Å; F6-R8 PolarHBondContact O-N 3.11Å; R8-I10 PolarHBondContact O-N 2.94Å; R8-S11 PolarHBondContact O-N 3.13Å; R8-E12 HydrophobicContact CG-CG 4.48Å; R8-E12 IonicContact CZ-OE1 2.83Å; R8-E12 IonicContact NE-OE1 3.29Å; R8-E12 PolarHBondContact NE-OE1 3.2Å; R8-E12 IonicContact NH2-OE1 3.71Å; R8-E12 PolarHBondContact NH2-OE1 3.33Å; R8-E12 WeakPolarHBondContact O-CG 3.45Å; R8-E12 PolarHBondContact O-N 2.98Å; R8-F230 HydrophobicContact CB-CE1 4.01Å; R8-F230 HydrophobicContact CB-CE2 4.35Å; R8-F230 HydrophobicContact CB-CZ 3.75Å; R8-F230 HydrophobicContact CG-CD2 4.45Å; R8-F230 HydrophobicContact CG-CE1 4.16Å; R8-F230 HydrophobicContact CG-CE2 4.07Å; R8-F230 HydrophobicContact CG-CZ 3.92Å
9W89Confident82.4Confident30 Ų3044.2 Ų44.211%0.11422%0.216CC..Hα-helixtrans-60.1-46.2-178.9-176.393.1000111.9K5 F6 S11 E12 R13 I302 L307 P308 Y311K5-W9 PolarHBondContact O-N 2.72Å; F6-W9 PolarHBondContact O-N 3.18Å; F6-W9 VanDerWaalsContact O-N 3.11Å; W9-S11 VanDerWaalsContact C-N 3.32Å; W9-S11 PolarHBondContact O-N 3.01Å; W9-E12 PolarHBondContact O-N 3.44Å; W9-R13 HydrophobicContact CH2-CG 4.45Å; W9-R13 HydrophobicContact CZ3-CB 4.48Å; W9-R13 WeakPolarHBondContact O-CB 3.35Å; W9-R13 PolarHBondContact O-N 3.01Å; W9-I302 HydrophobicContact CB-CG2 3.75Å; W9-I302 HydrophobicContact CG-CG2 3.66Å; W9-L307 HydrophobicContact CD2-CD1 3.76Å; W9-L307 HydrophobicContact CE3-CD1 3.42Å; W9-L307 VanDerWaalsContact CE3-CD1 3.42Å; W9-L307 HydrophobicContact CH2-CB 3.63Å; W9-L307 HydrophobicContact CH2-CD1 3.87Å; W9-L307 HydrophobicContact CH2-CG 4.39Å; W9-L307 HydrophobicContact CZ2-CB 3.75Å; W9-L307 HydrophobicContact CZ2-CD1 4.2Å; W9-L307 HydrophobicContact CZ3-CB 4.14Å; W9-L307 HydrophobicContact CZ3-CD1 3.49Å; W9-L307 VanDerWaalsContact CZ3-CD1 3.49Å; W9-L307 HydrophobicContact CZ3-CG 4.43Å; W9-P308 HydrophobicContact CZ2-CG 3.92Å; W9-Y311 AromaticContact CH2-CE2 3.95Å; W9-Y311 HydrophobicContact CH2-CE2 3.95Å
10I90.4Very high82.7Confident0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-66.3-34.6177.565171.1000112.1F6 Y7 R8 E12 R13 Y14 L17 I210 L249 M254F6-I10 HydrophobicContact CD1-CD1 4.47Å; F6-I10 HydrophobicContact CD1-CG2 4.29Å; F6-I10 HydrophobicContact CD2-CG2 4.35Å; F6-I10 HydrophobicContact CE1-CD1 4.22Å; F6-I10 HydrophobicContact CE1-CG2 3.85Å; F6-I10 HydrophobicContact CE2-CG2 3.93Å; F6-I10 HydrophobicContact CZ-CG2 3.65Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 2.94Å; Y7-I10 WeakPolarHBondContact O-CG1 3.36Å; R8-I10 PolarHBondContact O-N 2.94Å; I10-E12 VanDerWaalsContact C-N 3.35Å; I10-R13 PolarHBondContact O-N 3.18Å; I10-Y14 HydrophobicContact CB-CD2 4.26Å; I10-Y14 WeakPolarHBondContact O-CA 3.16Å; I10-Y14 WeakPolarHBondContact O-CB 3.31Å; I10-Y14 PolarHBondContact O-N 2.64Å; I10-L17 HydrophobicContact CB-CD1 4.41Å; I10-L17 HydrophobicContact CD1-CD1 4.4Å; I10-L17 HydrophobicContact CG1-CD1 4.47Å; I10-I210 HydrophobicContact CD1-CD1 3.48Å; I10-I210 VanDerWaalsContact CD1-CD1 3.48Å; I10-I210 HydrophobicContact CD1-CG1 4.43Å; I10-I210 HydrophobicContact CD1-CG2 4.41Å; I10-L249 HydrophobicContact CD1-CD1 4.33Å; I10-M254 HydrophobicContact CG2-CE 4.48Å
11S88.3Confident82.8Confident28 Ų2844.7 Ų44.720%0.19622%0.224CC..Hα-helixtrans-71.4-32.6179.2-60.40000111.7Y7 R8 W9 P15Y7-S11 VanDerWaalsContact O-CB 3.29Å; Y7-S11 WeakPolarHBondContact O-CB 3.47Å; Y7-S11 PolarHBondContact O-N 3.34Å; Y7-S11 PolarHBondContact O-OG 2.98Å; R8-S11 PolarHBondContact O-N 3.13Å; W9-S11 VanDerWaalsContact C-N 3.32Å; W9-S11 PolarHBondContact O-N 3.01Å; S11-P15 WeakPolarHBondContact O-CA 3.38Å
12E87.8Confident84.4Confident119 Ų11945.6 Ų45.656%0.55623%0.225SC*.Hα-helixtrans-75-40.1174.3-72.1173.517900111.3R8 W9 I10R8-E12 HydrophobicContact CG-CG 4.48Å; R8-E12 IonicContact CZ-OE1 2.83Å; R8-E12 IonicContact NE-OE1 3.29Å; R8-E12 PolarHBondContact NE-OE1 3.2Å; R8-E12 IonicContact NH2-OE1 3.71Å; R8-E12 PolarHBondContact NH2-OE1 3.33Å; R8-E12 WeakPolarHBondContact O-CG 3.45Å; R8-E12 PolarHBondContact O-N 2.98Å; W9-E12 PolarHBondContact O-N 3.44Å; I10-E12 VanDerWaalsContact C-N 3.35Å
13R89.4Confident84.6Confident93 Ų9352.1 Ų52.135%0.35125%0.254SS..Hα-helixtrans-70.9-39.9177.4-170.9176.2-172.488-0.1112.8W9 I10 P15 E261W9-R13 HydrophobicContact CH2-CG 4.45Å; W9-R13 HydrophobicContact CZ3-CB 4.48Å; W9-R13 WeakPolarHBondContact O-CB 3.35Å; W9-R13 PolarHBondContact O-N 3.01Å; I10-R13 PolarHBondContact O-N 3.18Å; R13-P15 WeakPolarHBondContact O-CD 3.46Å; R13-E261 IonicContact CZ-OE1 2.69Å; R13-E261 IonicContact CZ-OE2 3.98Å; R13-E261 IonicContact NE-OE1 2.68Å; R13-E261 IonicContact NE-OE2 3.03Å; R13-E261 PolarHBondContact NE-OE2 2.92Å; R13-E261 IonicContact NH2-OE1 2.7Å; R13-E261 PolarHBondContact NH2-OE1 3.42Å; R13-E261 IonicContact NH2-OE2 2.89Å; R13-E261 PolarHBondContact NH2-OE2 3.03Å
14Y92.8Very high84.3Confident6 Ų658.5 Ų58.52%0.02428%0.284CS..SBendtrans-121.876.9-175.8-49-53.3000109.8I10 C16 L17 M254 Y257 E261I10-Y14 HydrophobicContact CB-CD2 4.26Å; I10-Y14 WeakPolarHBondContact O-CA 3.16Å; I10-Y14 WeakPolarHBondContact O-CB 3.31Å; I10-Y14 PolarHBondContact O-N 2.64Å; Y14-C16 PolarHBondContact O-N 2.71Å; Y14-C16 VanDerWaalsContact O-N 3.1Å; Y14-L17 HydrophobicContact CD2-CD1 3.97Å; Y14-L17 HydrophobicContact CG-CD1 4.25Å; Y14-L17 VanDerWaalsContact O-CG 3.27Å; Y14-L17 WeakPolarHBondContact O-CG 3.05Å; Y14-L17 PolarHBondContact O-N 3.39Å; Y14-M254 HydrophobicContact CD2-CE 4.14Å; Y14-M254 HydrophobicContact CD2-SD 3.81Å; Y14-M254 HydrophobicContact CE2-CE 3.8Å; Y14-M254 HydrophobicContact CE2-SD 4.02Å; Y14-Y257 AromaticContact CD1-CD1 3.46Å; Y14-Y257 HydrophobicContact CD1-CD1 3.46Å; Y14-Y257 VanDerWaalsContact CD1-CD1 3.46Å; Y14-Y257 HydrophobicContact CD1-CD2 4.32Å; Y14-Y257 HydrophobicContact CD1-CE1 4.09Å; Y14-Y257 AromaticContact CD1-CG 3.6Å; Y14-Y257 HydrophobicContact CD1-CG 3.6Å; Y14-Y257 HydrophobicContact CE1-CD1 4.13Å; Y14-Y257 HydrophobicContact CE1-CG 4.27Å; Y14-Y257 HydrophobicContact CG-CD1 4.15Å; Y14-Y257 HydrophobicContact CG-CD2 4.2Å; Y14-Y257 AromaticContact CG-CG 3.89Å; Y14-Y257 HydrophobicContact CG-CG 3.89Å; Y14-E261 PolarHBondContact OH-OE2 2.86Å
15P86.9Confident84.4Confident45 Ų4561 Ų6129%0.29229%0.292SS..THydrogen-bonded Turntrans-68-13.7-166.826.8-37.9000115.5S11 R13 K677S11-P15 WeakPolarHBondContact O-CA 3.38Å; R13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-K677 VanDerWaalsContact CG-O 3.29Å; P15-K677 WeakPolarHBondContact CG-O 3.29Å
16C90.1Very high84.3Confident36 Ų3658.4 Ų58.424%0.24328%0.282CS..THydrogen-bonded Turntrans-93.42.9177.4-670000114.5Y14 S18 L253 Y257Y14-C16 PolarHBondContact O-N 2.71Å; Y14-C16 VanDerWaalsContact O-N 3.1Å; C16-S18 VanDerWaalsContact C-N 3.32Å; C16-S18 PolarHBondContact O-N 2.91Å; C16-L253 WeakPolarHBondContact O-CD1 3.45Å; C16-Y257 HydrophobicContact CB-CE2 4.36Å; C16-Y257 WeakPolarHBondContact CB-OH 3.31Å
17L90.1Very high84Confident0 Ų060.9 Ų60.90%030%0.298CS..SBendtrans-64.9-34.9-178.3-72.8-178.8000113.9I10 Y14 L249 H250 L253 M254 Y257I10-L17 HydrophobicContact CB-CD1 4.41Å; I10-L17 HydrophobicContact CD1-CD1 4.4Å; I10-L17 HydrophobicContact CG1-CD1 4.47Å; Y14-L17 HydrophobicContact CD2-CD1 3.97Å; Y14-L17 HydrophobicContact CG-CD1 4.25Å; Y14-L17 VanDerWaalsContact O-CG 3.27Å; Y14-L17 WeakPolarHBondContact O-CG 3.05Å; Y14-L17 PolarHBondContact O-N 3.39Å; L17-L249 HydrophobicContact CB-CG 4.44Å; L17-L249 CarbonylContact O-C 3.59Å; L17-L249 WeakPolarHBondContact O-CA 3.42Å; L17-H250 PolarHBondContact O-N 3.21Å; L17-L253 HydrophobicContact CD2-CB 4.13Å; L17-M254 HydrophobicContact CD1-SD 3.67Å; L17-M254 HydrophobicContact CD2-CB 3.78Å; L17-M254 HydrophobicContact CD2-SD 4.03Å; L17-M254 HydrophobicContact CG-SD 4.5Å; L17-Y257 HydrophobicContact CD2-CD2 3.8Å; L17-Y257 HydrophobicContact CD2-CE2 4.2Å; L17-Y257 HydrophobicContact CG-CD2 4.36Å; L17-Y257 HydrophobicContact CG-CE2 4.47Å
18S89.1Confident83.8Confident35 Ų3561.7 Ų61.725%0.24530%0.303CS..EExtended strand (participates in β ladder)trans-116.5134.9-168.3-48.90000110.8C16 L248C16-S18 VanDerWaalsContact C-N 3.32Å; C16-S18 PolarHBondContact O-N 2.91Å; S18-L248 WeakPolarHBondContact CA-O 3.4Å
19E88.6Confident84Confident71 Ų7157 Ų5733%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-123.214917270.2-179.5161.400112.2V21 H247 L248 H250E19-V21 PolarHBondContact O-N 3.36Å; E19-H247 CarbonylContact O-C 3.58Å; E19-H247 WeakPolarHBondContact O-CA 3.34Å; E19-L248 HydrophobicContact CG-CB 4.06Å; E19-L248 PolarHBondContact N-O 2.95Å; E19-L248 PolarHBondContact O-N 3.33Å; E19-H250 IonicContact OE1-CD2 3.95Å; E19-H250 IonicContact OE1-CE1 2.84Å; E19-H250 PolarHBondContact OE1-CE1 3.48Å; E19-H250 IonicContact OE1-NE2 3.46Å; E19-H250 PolarHBondContact OE1-NE2 2.93Å
20V87.9Confident84.1Confident69 Ų6956.1 Ų56.142%0.41828%0.283SS..EExtended strand (participates in β ladder)trans-74.5124.3174.3-176.90000109.6K22 T245V20-K22 PolarHBondContact O-N 2.94Å; V20-T245 HydrophobicContact CG1-CG2 3.74Å
21V84.1Confident84.4Confident30 Ų3056.7 Ų56.718%0.18229%0.286CS..  trans-63.8123.5178.4174.90000109.4E19 I26 I74 L224 F246 L248E19-V21 PolarHBondContact O-N 3.36Å; V21-I26 HydrophobicContact CG1-CD1 3.36Å; V21-I26 HydrophobicContact CG1-CG1 3.8Å; V21-I74 HydrophobicContact CG1-CG2 3.9Å; V21-L224 HydrophobicContact CG2-CD1 3.89Å; V21-F246 HydrophobicContact CB-CB 3.99Å; V21-F246 WeakPolarHBondContact CB-O 3.41Å; V21-F246 HydrophobicContact CG2-CB 3.86Å; V21-F246 WeakPolarHBondContact CG2-O 3.44Å; V21-F246 PolarHBondContact N-O 3.47Å; V21-L248 HydrophobicContact CG2-CB 4.11Å
22K77.1Confident84.9Confident120 Ų12055.4 Ų55.452%0.52228%0.276SS..  trans-127.5136.5170.3-62.1-177.8-170167.90108.2V20 H24 Q25 I26V20-K22 PolarHBondContact O-N 2.94Å; K22-H24 PolarHBondContact O-N 2.76Å; K22-Q25 HydrophobicContact CB-CB 4.34Å; K22-Q25 HydrophobicContact CB-CG 4.36Å; K22-Q25 PolarHBondContact O-N 2.8Å; K22-I26 WeakPolarHBondContact O-CG1 3.22Å
23E65.8Low85.3Confident143 Ų14349.7 Ų49.767%0.66825%0.25SC*.THydrogen-bonded Turntrans-52.2-28.4-167.7-160.7179.4-179.300115.1
24H65Low85.7Confident138 Ų13845.3 Ų45.364%0.63923%0.233SC*.THydrogen-bonded Turntrans-100.31-179-51.5-30.3000114.7K22K22-H24 PolarHBondContact O-N 2.76Å
25Q68.6Low85.8Confident95 Ų9545.5 Ų45.544%0.44424%0.235SC..THydrogen-bonded Turntrans-116.1-4.7-173.4-63.1-172.1-24.400113.6K22K22-Q25 HydrophobicContact CB-CB 4.34Å; K22-Q25 HydrophobicContact CB-CG 4.36Å; K22-Q25 PolarHBondContact O-N 2.8Å
26I78.8Confident86.2Confident36 Ų3643.3 Ų43.319%0.18522%0.221CC..PPolyproline II helixtrans-71.3130.4-178.7-45.4178.7000109.5V21 K22 F29 I74 I75V21-I26 HydrophobicContact CG1-CD1 3.36Å; V21-I26 HydrophobicContact CG1-CG1 3.8Å; K22-I26 WeakPolarHBondContact O-CG1 3.22Å; I26-F29 HydrophobicContact CG2-CE2 4.01Å; I26-I74 HydrophobicContact CD1-CG2 3.65Å; I26-I74 VanDerWaalsContact CD1-O 3.29Å; I26-I74 WeakPolarHBondContact CD1-O 3.41Å; I26-I75 HydrophobicContact CG2-CD1 4.31Å
27P79.7Confident86.3Confident52 Ų5242.2 Ų42.234%0.33821%0.212SC..PPolyproline II helixtrans-56.8150.8168.3-22.233.2000111.5F29 L248P27-F29 HydrophobicContact CB-CE2 4.32Å; P27-F29 HydrophobicContact CB-CZ 4.38Å; P27-F29 VanDerWaalsContact O-CD2 3.26Å; P27-F29 WeakPolarHBondContact O-CD2 3.44Å; P27-F29 WeakPolarHBondContact O-CE2 3.43Å; P27-L248 HydrophobicContact CG-CD2 4.18Å
28E83.8Confident86.2Confident46 Ų4643.9 Ų43.922%0.21523%0.23CC..PPolyproline II helixtrans-71.2138.1168-71.6178.6-157.700109.8R78 R199 S733 R734E28-R78 IonicContact OE2-CZ 3.33Å; E28-R78 IonicContact OE2-NH1 3.39Å; E28-R78 PolarHBondContact OE2-NH1 3.05Å; E28-R199 VanDerWaalsContact O-CD 3.29Å; E28-R199 WeakPolarHBondContact O-CD 3.49Å; E28-R199 PolarHBondContact O-NE 3.48Å; E28-R199 PolarHBondContact O-NH1 2.78Å; E28-R199 IonicContact OE2-NH2 2.64Å; E28-S733 PolarHBondContact OE2-OG 3.38Å; E28-R734 WeakPolarHBondContact OE1-CD 3.16Å; E28-R734 WeakPolarHBondContact OE1-CG 3.4Å; E28-R734 IonicContact OE1-CZ 2.84Å; E28-R734 IonicContact OE1-NE 3.83Å; E28-R734 PolarHBondContact OE1-NE 3.39Å
29F91.4Very high86.3Confident5 Ų542.2 Ų42.22%0.02222%0.218CC..  trans-115.9142.8176-69.7-79.4000111.1I26 P27 I75 R78 R199 C201 L248I26-F29 HydrophobicContact CG2-CE2 4.01Å; P27-F29 HydrophobicContact CB-CE2 4.32Å; P27-F29 HydrophobicContact CB-CZ 4.38Å; P27-F29 VanDerWaalsContact O-CD2 3.26Å; P27-F29 WeakPolarHBondContact O-CD2 3.44Å; P27-F29 WeakPolarHBondContact O-CE2 3.43Å; F29-I75 HydrophobicContact CB-CG2 4Å; F29-I75 HydrophobicContact CD2-CD1 4.34Å; F29-I75 HydrophobicContact CD2-CG2 3.81Å; F29-I75 HydrophobicContact CE2-CD1 4.26Å; F29-I75 HydrophobicContact CG-CG2 4.18Å; F29-R78 PolarHBondContact O-N 2.84Å; F29-R78 VanDerWaalsContact O-N 3.16Å; F29-R199 HydrophobicContact CD1-CB 4.14Å; F29-C201 HydrophobicContact CB-CB 4.26Å; F29-C201 HydrophobicContact CD1-CB 3.53Å; F29-C201 HydrophobicContact CD2-CB 4.05Å; F29-C201 HydrophobicContact CE1-CB 3.75Å; F29-C201 HydrophobicContact CE2-CB 4.24Å; F29-C201 HydrophobicContact CG-CB 3.67Å; F29-C201 HydrophobicContact CZ-CB 4.09Å; F29-L248 HydrophobicContact CE2-CD1 4.36Å; F29-L248 HydrophobicContact CE2-CD2 4.22Å; F29-L248 HydrophobicContact CZ-CD1 4Å; F29-L248 HydrophobicContact CZ-CD2 3.95Å
30D90.8Very high86.6Confident12 Ų1238.9 Ų38.96%0.06420%0.202CC..SBendtrans-83.7-43.4174.4-59.9-64.6000109.6R78 K79 V80 T198 R199D30-R78 PolarHBondContact O-N 3.26Å; D30-K79 HydrophobicContact CB-CD 4.05Å; D30-K79 HydrophobicContact CB-CG 4.18Å; D30-K79 WeakPolarHBondContact O-CA 3.47Å; D30-K79 PolarHBondContact O-N 2.57Å; D30-V80 PolarHBondContact O-N 3.29Å; D30-V80 VanDerWaalsContact O-N 3.11Å; D30-T198 HydrophobicContact CB-CG2 4.08Å; D30-R199 PolarHBondContact N-O 3.26Å; D30-R199 IonicContact OD1-NH2 2.94Å; D30-R199 PolarHBondContact OD1-NH2 3.43Å; D30-R199 WeakPolarHBondContact OD2-CB 3.42Å; D30-R199 IonicContact OD2-CZ 3.91Å; D30-R199 PolarHBondContact OD2-N 3.16Å; D30-R199 IonicContact OD2-NE 3.34Å; D30-R199 PolarHBondContact OD2-NE 3.08Å; D30-R199 IonicContact OD2-NH2 2.69Å
31N96.9Very high86.6Confident12 Ų1237.7 Ų37.76%0.06419%0.192CC..EExtended strand (participates in β ladder)trans-125132.1-175.2-56.1-14.3000111.2Y33 V80 T198 R199 C201N31-Y33 HydrophobicContact CB-CE1 4.33Å; N31-Y33 HydrophobicContact CB-CE2 3.67Å; N31-Y33 VanDerWaalsContact CB-CZ 3.5Å; N31-Y33 VanDerWaalsContact CB-OH 3.25Å; N31-Y33 WeakPolarHBondContact CB-OH 3.42Å; N31-Y33 PolarHBondContact ND2-OH 3.12Å; N31-V80 WeakPolarHBondContact CA-O 3.46Å; N31-V80 HydrophobicContact CB-CB 4.08Å; N31-V80 WeakPolarHBondContact OD1-CB 3.36Å; N31-T198 WeakPolarHBondContact ND2-CG2 3.43Å; N31-R199 PolarHBondContact N-O 3.46Å; N31-C201 PolarHBondContact O-N 2.98Å
32L97.7Very high86.8Confident0 Ų039.3 Ų39.30%020%0.198CC..EExtended strand (participates in β ladder)trans-115128.9169.9172.162.4000109.9L34 I75 P77 V80 F81 F82 C201L32-L34 HydrophobicContact CD1-CD2 3.86Å; L32-L34 HydrophobicContact CD2-CD2 4.25Å; L32-L34 HydrophobicContact CG-CD2 4.01Å; L32-I75 HydrophobicContact CB-CG2 4.13Å; L32-I75 HydrophobicContact CD1-CB 4.37Å; L32-I75 HydrophobicContact CD1-CG1 4.17Å; L32-I75 HydrophobicContact CD1-CG2 4.12Å; L32-I75 HydrophobicContact CD2-CB 4Å; L32-I75 HydrophobicContact CD2-CG1 4.42Å; L32-I75 HydrophobicContact CD2-CG2 4.13Å; L32-I75 HydrophobicContact CG-CG2 4.35Å; L32-P77 HydrophobicContact CB-CB 3.76Å; L32-P77 HydrophobicContact CB-CG 3.91Å; L32-P77 HydrophobicContact CD2-CG 4.28Å; L32-V80 PolarHBondContact N-O 2.84Å; L32-F81 HydrophobicContact CB-CD2 4.07Å; L32-F81 HydrophobicContact CD2-CD2 3.73Å; L32-F81 HydrophobicContact CD2-CE2 3.61Å; L32-F81 HydrophobicContact CG-CD2 3.87Å; L32-F81 HydrophobicContact CG-CE2 3.98Å; L32-F81 CarbonylContact O-C 3.58Å; L32-F81 WeakPolarHBondContact O-CA 3.47Å; L32-F82 PolarHBondContact O-N 2.96Å; L32-C201 CarbonylContact C-O 3.45Å; L32-C201 WeakPolarHBondContact CA-O 3.46Å; L32-C201 HydrophobicContact CD1-CB 4.18Å
33Y98.1Very high87.4Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-118.1131.8178.3-48.2-84.8000109.6N31 F82 I181 F184 I185 H200 C201 L202 Y203N31-Y33 HydrophobicContact CB-CE1 4.33Å; N31-Y33 HydrophobicContact CB-CE2 3.67Å; N31-Y33 VanDerWaalsContact CB-CZ 3.5Å; N31-Y33 VanDerWaalsContact CB-OH 3.25Å; N31-Y33 WeakPolarHBondContact CB-OH 3.42Å; N31-Y33 PolarHBondContact ND2-OH 3.12Å; Y33-F82 CarbonylContact C-O 3.57Å; Y33-F82 WeakPolarHBondContact CA-O 3.26Å; Y33-F82 HydrophobicContact CD1-CB 3.6Å; Y33-F82 HydrophobicContact CD1-CG 4.17Å; Y33-F82 HydrophobicContact CE1-CB 4.23Å; Y33-F82 HydrophobicContact CG-CB 4.5Å; Y33-I181 HydrophobicContact CD1-CG2 3.64Å; Y33-I181 HydrophobicContact CD2-CG2 4.47Å; Y33-I181 HydrophobicContact CE1-CG2 4.41Å; Y33-I181 HydrophobicContact CG-CG2 3.69Å; Y33-F184 AromaticContact CE1-CD1 3.73Å; Y33-F184 HydrophobicContact CE1-CD1 3.73Å; Y33-F184 AromaticContact CE1-CE1 3.83Å; Y33-F184 HydrophobicContact CE1-CE1 3.83Å; Y33-I185 HydrophobicContact CD2-CD1 4.45Å; Y33-I185 HydrophobicContact CE1-CD1 4.29Å; Y33-I185 HydrophobicContact CE1-CG1 3.99Å; Y33-I185 HydrophobicContact CE2-CD1 4.07Å; Y33-I185 HydrophobicContact CE2-CG1 4.36Å; Y33-H200 HydrophobicContact CE2-CB 3.91Å; Y33-H200 AromaticContact CE2-ND1 3.48Å; Y33-H200 WeakPolarHBondContact CE2-ND1 3.45Å; Y33-H200 AromaticContact CZ-ND1 3.59Å; Y33-H200 PolarHBondContact OH-CE1 3.06Å; Y33-H200 PolarHBondContact OH-ND1 2.56Å; Y33-C201 WeakPolarHBondContact CD2-O 3.36Å; Y33-C201 PolarHBondContact N-O 3.08Å; Y33-L202 WeakPolarHBondContact O-CA 3.38Å; Y33-Y203 PolarHBondContact O-N 3.36Å
34L97.1Very high88.4Confident0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-117.4119.2177.3-55.3-171.7000110.2L32 M36 L68 L71 F81 F82 M83 A84 Y203L32-L34 HydrophobicContact CD1-CD2 3.86Å; L32-L34 HydrophobicContact CD2-CD2 4.25Å; L32-L34 HydrophobicContact CG-CD2 4.01Å; L34-M36 HydrophobicContact CB-SD 4.24Å; L34-M36 HydrophobicContact CD1-SD 4.45Å; L34-M36 PolarHBondContact O-N 3.41Å; L34-L68 HydrophobicContact CD1-CD2 3.37Å; L34-L71 HydrophobicContact CD1-CD1 4.19Å; L34-L71 HydrophobicContact CD2-CD1 3.84Å; L34-F81 HydrophobicContact CD1-CE2 3.5Å; L34-F81 VanDerWaalsContact CD1-CE2 3.5Å; L34-F81 HydrophobicContact CD1-CZ 3.49Å; L34-F81 VanDerWaalsContact CD1-CZ 3.49Å; L34-F81 HydrophobicContact CD2-CE2 4.38Å; L34-F81 HydrophobicContact CG-CE2 3.67Å; L34-F81 HydrophobicContact CG-CZ 4.15Å; L34-F82 PolarHBondContact N-O 2.81Å; L34-M83 HydrophobicContact CD1-CG 4.38Å; L34-A84 PolarHBondContact O-N 2.99Å; L34-Y203 HydrophobicContact CD2-CD1 4.2Å; L34-Y203 HydrophobicContact CD2-CG 4.1Å
35D95.1Very high89Confident10 Ų1021.9 Ų21.95%0.05312%0.12CC..EExtended strand (participates in β ladder)trans-79109.6157.3176.711.7000109N37 Y203D35-N37 VanDerWaalsContact C-N 3.34Å; D35-N37 PolarHBondContact OD1-N 3.5Å; D35-Y203 PolarHBondContact N-O 2.76Å
36M94.7Very high89Confident0 Ų018.7 Ų18.70%011%0.107CC..Hα-helixtrans-75.9-22-171.6-68.2-65.7-59.300113.2L34 G38 I39 I40 I64 L68 M83 A84 V85 L147L34-M36 HydrophobicContact CB-SD 4.24Å; L34-M36 HydrophobicContact CD1-SD 4.45Å; L34-M36 PolarHBondContact O-N 3.41Å; M36-G38 VanDerWaalsContact C-N 3.32Å; M36-G38 PolarHBondContact O-N 3.46Å; M36-I39 WeakPolarHBondContact O-CB 3.48Å; M36-I39 PolarHBondContact O-N 3.27Å; M36-I39 HydrophobicContact SD-CD1 4.11Å; M36-I40 HydrophobicContact CB-CD1 4.22Å; M36-I40 WeakPolarHBondContact O-CG1 3.44Å; M36-I40 PolarHBondContact O-N 3.19Å; M36-I64 HydrophobicContact CE-CG2 3.99Å; M36-L68 HydrophobicContact CE-CD1 3.98Å; M36-L68 HydrophobicContact CE-CD2 3.79Å; M36-L68 HydrophobicContact CE-CG 4.24Å; M36-L68 HydrophobicContact SD-CD2 3.56Å; M36-L68 VanDerWaalsContact SD-CD2 3.56Å; M36-M83 HydrophobicContact CG-CB 4.33Å; M36-M83 HydrophobicContact SD-CB 4.31Å; M36-A84 WeakPolarHBondContact CB-O 3.5Å; M36-A84 VanDerWaalsContact CG-O 3.24Å; M36-A84 WeakPolarHBondContact CG-O 3.25Å; M36-A84 PolarHBondContact N-O 2.83Å; M36-V85 HydrophobicContact CB-CB 4.47Å; M36-V85 HydrophobicContact CB-CG2 3.73Å; M36-V85 HydrophobicContact CG-CG2 3.8Å; M36-L147 HydrophobicContact CE-CD1 4.44Å; M36-L147 HydrophobicContact CE-CD2 4.27Å
37N91.4Very high88.4Confident13 Ų1319.8 Ų19.87%0.0711%0.113CC..Hα-helixtrans-63.7-40-169.7-86.645.8000111.8D35 I39 I40 H41 D86D35-N37 VanDerWaalsContact C-N 3.34Å; D35-N37 PolarHBondContact OD1-N 3.5Å; N37-I39 VanDerWaalsContact C-N 3.34Å; N37-I39 PolarHBondContact O-N 2.75Å; N37-I40 PolarHBondContact O-N 3.1Å; N37-H41 PolarHBondContact O-CD2 2.89Å; N37-H41 PolarHBondContact O-N 3.47Å; N37-H41 VanDerWaalsContact O-N 3.08Å; N37-D86 VanDerWaalsContact CG-OD2 3.32Å; N37-D86 WeakPolarHBondContact ND2-CB 3.28Å; N37-D86 PolarHBondContact ND2-OD2 2.77Å; N37-D86 PolarHBondContact OD1-N 3.29Å
38G88.7Confident87.7Confident35 Ų3520.3 Ų20.336%0.36111%0.113SC..Hα-helixtrans-57.9-43.1172.200000113.3M36 H41 Q42M36-G38 VanDerWaalsContact C-N 3.32Å; M36-G38 PolarHBondContact O-N 3.46Å; G38-H41 PolarHBondContact O-N 2.85Å; G38-Q42 PolarHBondContact O-N 2.84Å
39I92.3Very high86.9Confident0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-65.1-46.5179.3-53.8178.1000110.4M36 N37 H41 Q42 C43 Y67 L68 L71 Y203M36-I39 WeakPolarHBondContact O-CB 3.48Å; M36-I39 PolarHBondContact O-N 3.27Å; M36-I39 HydrophobicContact SD-CD1 4.11Å; N37-I39 VanDerWaalsContact C-N 3.34Å; N37-I39 PolarHBondContact O-N 2.75Å; I39-H41 VanDerWaalsContact C-N 3.3Å; I39-H41 PolarHBondContact O-N 3.13Å; I39-Q42 PolarHBondContact O-N 3.43Å; I39-C43 WeakPolarHBondContact O-CB 3.37Å; I39-C43 PolarHBondContact O-N 3.22Å; I39-C43 PolarHBondContact O-SG 3.25Å; I39-C43 VanDerWaalsContact O-SG 3.41Å; I39-Y67 HydrophobicContact CD1-CD1 4.1Å; I39-Y67 HydrophobicContact CD1-CE1 4.43Å; I39-Y67 HydrophobicContact CG1-CD1 4.22Å; I39-Y67 HydrophobicContact CG1-CE1 4.32Å; I39-Y67 HydrophobicContact CG2-CD1 3.92Å; I39-Y67 HydrophobicContact CG2-CG 3.92Å; I39-L68 HydrophobicContact CD1-CD2 4.09Å; I39-L71 HydrophobicContact CD1-CD1 3.92Å; I39-Y203 HydrophobicContact CD1-CD1 4.14Å; I39-Y203 HydrophobicContact CD1-CE1 3.7Å; I39-Y203 HydrophobicContact CG1-CD1 4.37Å; I39-Y203 HydrophobicContact CG1-CE1 3.51Å
40I93.5Very high86.1Confident0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-60.1-43-179.9-62.3163.7000110.3M36 N37 S44 I64 V85 I133 F139 M140 L143M36-I40 HydrophobicContact CB-CD1 4.22Å; M36-I40 WeakPolarHBondContact O-CG1 3.44Å; M36-I40 PolarHBondContact O-N 3.19Å; N37-I40 PolarHBondContact O-N 3.1Å; I40-S44 VanDerWaalsContact O-CB 3.23Å; I40-S44 WeakPolarHBondContact O-CB 3.46Å; I40-S44 PolarHBondContact O-N 2.87Å; I40-S44 VanDerWaalsContact O-N 3.08Å; I40-S44 PolarHBondContact O-OG 2.84Å; I40-I64 HydrophobicContact CG1-CD1 4.12Å; I40-V85 HydrophobicContact CD1-CG1 4.18Å; I40-I133 HydrophobicContact CG2-CD1 3.99Å; I40-I133 HydrophobicContact CG2-CG1 3.99Å; I40-I133 HydrophobicContact CG2-CG2 3.91Å; I40-F139 HydrophobicContact CG2-CE1 4.18Å; I40-M140 HydrophobicContact CD1-CE 4.32Å; I40-L143 HydrophobicContact CD1-CD2 3.67Å; I40-L143 HydrophobicContact CG1-CD2 3.92Å; I40-L143 HydrophobicContact CG2-CD2 4.31Å
41H89.3Confident85.5Confident44 Ų4426.3 Ų26.320%0.20415%0.147CC..Hα-helixtrans-62.1-48.5176.3-85.7-79.6000111.9N37 G38 I39 C43 S44 H45N37-H41 PolarHBondContact O-CD2 2.89Å; N37-H41 PolarHBondContact O-N 3.47Å; N37-H41 VanDerWaalsContact O-N 3.08Å; G38-H41 PolarHBondContact O-N 2.85Å; I39-H41 VanDerWaalsContact C-N 3.3Å; I39-H41 PolarHBondContact O-N 3.13Å; H41-C43 PolarHBondContact O-N 2.97Å; H41-S44 PolarHBondContact O-N 2.9Å; H41-S44 PolarHBondContact O-OG 3.2Å; H41-H45 AromaticContact CE1-CE1 3.86Å; H41-H45 AromaticContact CE1-NE2 3.92Å; H41-H45 AromaticContact CG-CE1 3.79Å; H41-H45 AromaticContact CG-NE2 3.9Å; H41-H45 AromaticContact ND1-CE1 3Å; H41-H45 PolarHBondContact ND1-CE1 3.38Å; H41-H45 AromaticContact ND1-NE2 2.97Å; H41-H45 PolarHBondContact ND1-NE2 2.74Å; H41-H45 PolarHBondContact O-N 2.98Å; H41-H45 VanDerWaalsContact O-N 3.11Å; H41-H45 PolarHBondContact O-ND1 3.15Å
42Q86.4Confident84.6Confident65 Ų6529 Ų2930%0.30416%0.16SC..Hα-helixtrans-62.4-40.6-179.3-175.4171.710.200113.1G38 I39 E226G38-Q42 PolarHBondContact O-N 2.84Å; I39-Q42 PolarHBondContact O-N 3.43Å; Q42-E226 PolarHBondContact NE2-OE2 3.41Å; Q42-E226 PolarHBondContact OE1-OE1 3.33Å; Q42-E226 VanDerWaalsContact OE1-OE1 3.1Å
43C89.8Confident83.9Confident12 Ų1231.9 Ų31.98%0.08117%0.172CC..Hα-helixtrans-77.2-22.8179.7-66.20000113.5I39 H41 I60 D63 I64I39-C43 WeakPolarHBondContact O-CB 3.37Å; I39-C43 PolarHBondContact O-N 3.22Å; I39-C43 PolarHBondContact O-SG 3.25Å; I39-C43 VanDerWaalsContact O-SG 3.41Å; H41-C43 PolarHBondContact O-N 2.97Å; C43-I60 HydrophobicContact CB-CG2 4.37Å; C43-D63 HydrophobicContact CB-CB 4.05Å; C43-I64 HydrophobicContact CB-CG1 3.72Å
44S87.1Confident83.2Confident0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-95.7-31.5-175.558.90000114.9I40 H41 I55I40-S44 VanDerWaalsContact O-CB 3.23Å; I40-S44 WeakPolarHBondContact O-CB 3.46Å; I40-S44 PolarHBondContact O-N 2.87Å; I40-S44 VanDerWaalsContact O-N 3.08Å; I40-S44 PolarHBondContact O-OG 2.84Å; H41-S44 PolarHBondContact O-N 2.9Å; H41-S44 PolarHBondContact O-OG 3.2Å; S44-I55 VanDerWaalsContact O-CG2 3.29Å; S44-I55 WeakPolarHBondContact O-CG2 3.39Å
45H78.8Confident82.7Confident23 Ų2336.2 Ų36.211%0.10619%0.191CC..  trans-151.170.5179.749.1-75.5000111H41 N47 D48 F128H41-H45 AromaticContact CE1-CE1 3.86Å; H41-H45 AromaticContact CE1-NE2 3.92Å; H41-H45 AromaticContact CG-CE1 3.79Å; H41-H45 AromaticContact CG-NE2 3.9Å; H41-H45 AromaticContact ND1-CE1 3Å; H41-H45 PolarHBondContact ND1-CE1 3.38Å; H41-H45 AromaticContact ND1-NE2 2.97Å; H41-H45 PolarHBondContact ND1-NE2 2.74Å; H41-H45 PolarHBondContact O-N 2.98Å; H41-H45 VanDerWaalsContact O-N 3.11Å; H41-H45 PolarHBondContact O-ND1 3.15Å; H45-N47 PolarHBondContact O-N 3.47Å; H45-N47 VanDerWaalsContact O-N 3.12Å; H45-D48 WeakPolarHBondContact CB-OD1 3.48Å; H45-D48 VanDerWaalsContact CD2-CG 3.47Å; H45-D48 IonicContact CD2-OD1 3.81Å; H45-D48 PolarHBondContact CD2-OD1 2.88Å; H45-D48 IonicContact CD2-OD2 2.9Å; H45-D48 PolarHBondContact CD2-OD2 3.07Å; H45-D48 IonicContact CG-OD1 3.56Å; H45-D48 IonicContact NE2-OD2 3.7Å; H45-F128 AromaticContact ND1-CE1 3.98Å
46P67.6Low82.3Confident28 Ų2839 Ų3918%0.18221%0.211CC..THydrogen-bonded Turntrans-65.3-16.6-179.126.6-34.8000113.6F53 V238P46-F53 HydrophobicContact CG-CZ 4.2Å; P46-V238 HydrophobicContact CB-CG2 4.04Å; P46-V238 HydrophobicContact CG-CG2 3.82Å
47N67.4Low82Confident59 Ų5940.6 Ų40.632%0.31622%0.22SC..THydrogen-bonded Turntrans-138.177-179.6-170.114.5000112.5H45 D49 D50H45-N47 PolarHBondContact O-N 3.47Å; H45-N47 VanDerWaalsContact O-N 3.12Å; N47-D49 PolarHBondContact O-N 2.6Å; N47-D49 VanDerWaalsContact O-N 3.1Å; N47-D50 PolarHBondContact O-N 2.78Å
48D64.6Low81.8Confident63 Ų6343.2 Ų43.234%0.33723%0.233SC..THydrogen-bonded Turntrans-64.5-9.6179.2-97.7-15.7000115.6H45 K111 R127H45-D48 WeakPolarHBondContact CB-OD1 3.48Å; H45-D48 VanDerWaalsContact CD2-CG 3.47Å; H45-D48 IonicContact CD2-OD1 3.81Å; H45-D48 PolarHBondContact CD2-OD1 2.88Å; H45-D48 IonicContact CD2-OD2 2.9Å; H45-D48 PolarHBondContact CD2-OD2 3.07Å; H45-D48 IonicContact CG-OD1 3.56Å; H45-D48 IonicContact NE2-OD2 3.7Å; D48-K111 PolarHBondContact O-NZ 3.35Å; D48-R127 PolarHBondContact O-NH2 3.22Å; D48-R127 IonicContact OD1-NH2 2.72Å; D48-R127 PolarHBondContact OD1-NH2 3.39Å
49D67.1Low81.8Confident109 Ų10946.4 Ų46.458%0.58324%0.237SC*.THydrogen-bonded Turntrans-85.5-16.7178.4-70.2-30000113.1N47 K111N47-D49 PolarHBondContact O-N 2.6Å; N47-D49 VanDerWaalsContact O-N 3.1Å; D49-K111 IonicContact OD1-NZ 3.78Å; D49-K111 PolarHBondContact OD1-NZ 3.02Å
50D74.6Confident81.7Confident61 Ų6146.4 Ų46.433%0.32624%0.237SC..  trans-91.3110.3179.2-172.1-2.7000111.6N47 H52 F53N47-D50 PolarHBondContact O-N 2.78Å; D50-H52 PolarHBondContact O-N 2.88Å; D50-H52 WeakPolarHBondContact OD1-CB 3.43Å; D50-H52 IonicContact OD1-CD2 3.97Å; D50-H52 PolarHBondContact OD1-N 2.85Å; D50-F53 HydrophobicContact CB-CB 4Å; D50-F53 PolarHBondContact O-N 3.27Å
51V77.5Confident81.7Confident18 Ų1846.4 Ų46.411%0.10924%0.238CC..THydrogen-bonded Turntrans-70.2-19.4178.1-650000113.3R54 K111 A115 L122V51-R54 PolarHBondContact O-NH1 3.24Å; V51-K111 HydrophobicContact CG1-CB 3.77Å; V51-A115 HydrophobicContact CG2-CB 3.99Å; V51-L122 HydrophobicContact CB-CD2 4.25Å; V51-L122 HydrophobicContact CG2-CD2 4.01Å
52H78.9Confident81.8Confident69 Ų6946.7 Ų46.732%0.31924%0.242SC..THydrogen-bonded Turntrans-90.6-14.2179.6-64.5-79.8000112.7D50 R54 E120 T121 P123D50-H52 PolarHBondContact O-N 2.88Å; D50-H52 WeakPolarHBondContact OD1-CB 3.43Å; D50-H52 IonicContact OD1-CD2 3.97Å; D50-H52 PolarHBondContact OD1-N 2.85Å; H52-R54 PolarHBondContact O-N 3.27Å; H52-E120 IonicContact CD2-OE2 3.74Å; H52-E120 IonicContact CE1-OE2 3.16Å; H52-E120 IonicContact NE2-OE2 2.67Å; H52-E120 PolarHBondContact NE2-OE2 3.1Å; H52-T121 PolarHBondContact CE1-O 3.46Å; H52-P123 HydrophobicContact CB-CG 4.5Å
53F82.1Confident82Confident60 Ų6045.5 Ų45.526%0.26324%0.238SC..  trans-61.9130.4-178-179.2-101.8000111.9P46 D50 I55P46-F53 HydrophobicContact CG-CZ 4.2Å; D50-F53 HydrophobicContact CB-CB 4Å; D50-F53 PolarHBondContact O-N 3.27Å; F53-I55 HydrophobicContact CE1-CB 3.87Å; F53-I55 HydrophobicContact CE1-CG2 3.66Å; F53-I55 HydrophobicContact CZ-CB 3.85Å; F53-I55 HydrophobicContact CZ-CD1 4.21Å; F53-I55 HydrophobicContact CZ-CG2 4.12Å
54R83.4Confident82.2Confident55 Ų5544.9 Ų44.921%0.20823%0.234CC..  trans-133.7139.9175.2-62.6-61.8178.4-83.3-3.1109.5V51 H52 P123 E125 A126V51-R54 PolarHBondContact O-NH1 3.24Å; H52-R54 PolarHBondContact O-N 3.27Å; R54-P123 HydrophobicContact CG-CB 4.4Å; R54-E125 HydrophobicContact CG-CB 4.37Å; R54-E125 PolarHBondContact NE-O 3.36Å; R54-E125 PolarHBondContact NH2-O 3.37Å; R54-A126 VanDerWaalsContact CD-O 3.3Å; R54-A126 WeakPolarHBondContact CD-O 3.29Å; R54-A126 PolarHBondContact NE-O 3.46Å
55I85.5Confident82.6Confident37 Ų3745.5 Ų45.519%0.1924%0.237CC..  trans-146138.8177.7-171168.8000108.3S44 F53 K59 I60 F128S44-I55 VanDerWaalsContact O-CG2 3.29Å; S44-I55 WeakPolarHBondContact O-CG2 3.39Å; F53-I55 HydrophobicContact CE1-CB 3.87Å; F53-I55 HydrophobicContact CE1-CG2 3.66Å; F53-I55 HydrophobicContact CZ-CB 3.85Å; F53-I55 HydrophobicContact CZ-CD1 4.21Å; F53-I55 HydrophobicContact CZ-CG2 4.12Å; I55-K59 HydrophobicContact CD1-CB 4.33Å; I55-K59 HydrophobicContact CD1-CG 3.92Å; I55-K59 HydrophobicContact CG1-CB 3.93Å; I55-K59 HydrophobicContact CG1-CG 3.94Å; I55-I60 HydrophobicContact CD1-CG1 3.79Å; I55-I60 HydrophobicContact CG1-CG1 3.88Å; I55-I60 HydrophobicContact CG2-CD1 4.03Å; I55-I60 HydrophobicContact CG2-CG1 4.17Å; I55-F128 HydrophobicContact CG2-CB 4.42Å
56S88Confident83.2Confident67 Ų6747.6 Ų47.647%0.46925%0.247SC..  trans-86.9147.6175.2580000110.8D58 K59 I60S56-D58 PolarHBondContact O-N 3.47Å; S56-D58 VanDerWaalsContact O-N 3.09Å; S56-K59 PolarHBondContact O-N 3.42Å; S56-I60 WeakPolarHBondContact O-CG1 3.46Å; S56-I60 PolarHBondContact O-N 3.2Å; S56-I60 VanDerWaalsContact O-N 3.15Å
57D88.5Confident84.4Confident35 Ų3546.6 Ų46.619%0.18724%0.239CC..Hα-helixtrans-46-41.2172.1-73.617.2000112.2K59 I60 F61 R142D57-K59 VanDerWaalsContact C-N 3.33Å; D57-K59 PolarHBondContact O-N 3.06Å; D57-I60 WeakPolarHBondContact O-CB 3.12Å; D57-I60 PolarHBondContact O-N 3.41Å; D57-I60 VanDerWaalsContact O-N 3.13Å; D57-F61 HydrophobicContact CB-CE2 4.06Å; D57-F61 HydrophobicContact CB-CZ 4.03Å; D57-F61 WeakPolarHBondContact O-CD1 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.49Å; D57-F61 VanDerWaalsContact O-CG 3.23Å; D57-F61 WeakPolarHBondContact O-CG 3.44Å; D57-F61 PolarHBondContact O-N 2.86Å; D57-R142 IonicContact OD2-CZ 3.02Å; D57-R142 IonicContact OD2-NE 2.93Å; D57-R142 PolarHBondContact OD2-NE 3.22Å; D57-R142 IonicContact OD2-NH2 3.39Å; D57-R142 PolarHBondContact OD2-NH2 3.16Å
58D86.4Confident85.7Confident67 Ų6743.8 Ų43.836%0.35822%0.224SC..Hα-helixtrans-54-45.5177.2-72.47.7000114S56 T62 W615S56-D58 PolarHBondContact O-N 3.47Å; S56-D58 VanDerWaalsContact O-N 3.09Å; D58-T62 PolarHBondContact O-N 3.19Å; D58-T62 PolarHBondContact O-OG1 2.93Å; D58-W615 HydrophobicContact CB-CH2 3.42Å; D58-W615 VanDerWaalsContact CB-CH2 3.42Å; D58-W615 HydrophobicContact CB-CZ2 3.53Å; D58-W615 WeakPolarHBondContact O-CH2 3.32Å; D58-W615 WeakPolarHBondContact OD1-CZ2 3.06Å; D58-W615 WeakPolarHBondContact OD2-CZ2 3.28Å
59K88.6Confident87.1Confident102 Ų10244 Ų4444%0.44322%0.223SC..Hα-helixtrans-70.7-41.7178.7178.255.5176.5151.70109.7I55 S56 D57 F61 T62 D63I55-K59 HydrophobicContact CD1-CB 4.33Å; I55-K59 HydrophobicContact CD1-CG 3.92Å; I55-K59 HydrophobicContact CG1-CB 3.93Å; I55-K59 HydrophobicContact CG1-CG 3.94Å; S56-K59 PolarHBondContact O-N 3.42Å; D57-K59 VanDerWaalsContact C-N 3.33Å; D57-K59 PolarHBondContact O-N 3.06Å; K59-F61 PolarHBondContact O-N 3.16Å; K59-T62 PolarHBondContact O-N 2.68Å; K59-D63 WeakPolarHBondContact CE-OD1 3.46Å; K59-D63 WeakPolarHBondContact CE-OD2 3.37Å; K59-D63 VanDerWaalsContact NZ-CG 3.35Å; K59-D63 IonicContact NZ-OD1 3.29Å; K59-D63 PolarHBondContact NZ-OD1 2.82Å; K59-D63 IonicContact NZ-OD2 2.65Å; K59-D63 PolarHBondContact NZ-OD2 3.35Å; K59-D63 WeakPolarHBondContact O-CB 3.33Å; K59-D63 VanDerWaalsContact O-CG 3.24Å; K59-D63 PolarHBondContact O-N 2.95Å
60I91.4Very high88.2Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-55.8-49.7175.7-56.8175000110.7C43 I55 S56 D57 T62 D63 I64 F128 F139C43-I60 HydrophobicContact CB-CG2 4.37Å; I55-I60 HydrophobicContact CD1-CG1 3.79Å; I55-I60 HydrophobicContact CG1-CG1 3.88Å; I55-I60 HydrophobicContact CG2-CD1 4.03Å; I55-I60 HydrophobicContact CG2-CG1 4.17Å; S56-I60 WeakPolarHBondContact O-CG1 3.46Å; S56-I60 PolarHBondContact O-N 3.2Å; S56-I60 VanDerWaalsContact O-N 3.15Å; D57-I60 WeakPolarHBondContact O-CB 3.12Å; D57-I60 PolarHBondContact O-N 3.41Å; D57-I60 VanDerWaalsContact O-N 3.13Å; I60-T62 PolarHBondContact O-N 3.42Å; I60-D63 PolarHBondContact O-N 2.88Å; I60-I64 HydrophobicContact CG2-CD1 3.88Å; I60-I64 HydrophobicContact CG2-CG1 4.47Å; I60-I64 VanDerWaalsContact O-CG1 3.31Å; I60-I64 WeakPolarHBondContact O-CG1 3.29Å; I60-I64 PolarHBondContact O-N 2.61Å; I60-F128 HydrophobicContact CD1-CD2 3.84Å; I60-F128 HydrophobicContact CD1-CE2 3.45Å; I60-F128 VanDerWaalsContact CD1-CE2 3.45Å; I60-F128 HydrophobicContact CD1-CZ 3.89Å; I60-F139 HydrophobicContact CD1-CE2 4.21Å; I60-F139 HydrophobicContact CG2-CZ 4.21Å
61F93.4Very high89.1Confident1 Ų136 Ų360%0.00418%0.181CC..Hα-helixtrans-64.9-39.7-177.4-60.6-19.5000112.5D57 K59 D63 I64 F65 F139 R142 L143 H146 W615D57-F61 HydrophobicContact CB-CE2 4.06Å; D57-F61 HydrophobicContact CB-CZ 4.03Å; D57-F61 WeakPolarHBondContact O-CD1 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.49Å; D57-F61 VanDerWaalsContact O-CG 3.23Å; D57-F61 WeakPolarHBondContact O-CG 3.44Å; D57-F61 PolarHBondContact O-N 2.86Å; K59-F61 PolarHBondContact O-N 3.16Å; F61-D63 VanDerWaalsContact C-N 3.34Å; F61-I64 PolarHBondContact O-N 3.42Å; F61-F65 WeakPolarHBondContact O-CD1 3.46Å; F61-F65 VanDerWaalsContact O-CG 3.23Å; F61-F65 WeakPolarHBondContact O-CG 3.26Å; F61-F65 PolarHBondContact O-N 3.13Å; F61-F139 HydrophobicContact CE1-CD2 4.32Å; F61-F139 AromaticContact CE1-CE2 3.64Å; F61-F139 HydrophobicContact CE1-CE2 3.64Å; F61-F139 AromaticContact CE1-CZ 3.84Å; F61-F139 HydrophobicContact CE1-CZ 3.84Å; F61-F139 HydrophobicContact CZ-CD2 4.36Å; F61-F139 HydrophobicContact CZ-CE2 4.07Å; F61-R142 HydrophobicContact CE2-CB 4.24Å; F61-R142 HydrophobicContact CZ-CB 4.08Å; F61-L143 HydrophobicContact CD1-CB 4.46Å; F61-L143 HydrophobicContact CD1-CD1 3.64Å; F61-L143 HydrophobicContact CE1-CB 3.8Å; F61-L143 HydrophobicContact CE1-CD1 3.84Å; F61-L143 HydrophobicContact CE1-CG 4.34Å; F61-L143 HydrophobicContact CZ-CB 4.25Å; F61-H146 AromaticContact CD2-CD2 3.38Å; F61-H146 WeakPolarHBondContact CD2-CD2 3.44Å; F61-H146 AromaticContact CD2-CG 3.98Å; F61-H146 AromaticContact CD2-NE2 3.78Å; F61-H146 AromaticContact CE2-CD2 3.3Å; F61-H146 WeakPolarHBondContact CE2-CD2 3.23Å; F61-H146 AromaticContact CE2-NE2 3.65Å; F61-W615 HydrophobicContact CB-CZ3 4.43Å
62T90.7Very high89.9Confident50 Ų5035.5 Ų35.531%0.30718%0.177SC..Hα-helixtrans-65.6-40.1176.8-55.80000111D58 K59 I60 F65 H66D58-T62 PolarHBondContact O-N 3.19Å; D58-T62 PolarHBondContact O-OG1 2.93Å; K59-T62 PolarHBondContact O-N 2.68Å; I60-T62 PolarHBondContact O-N 3.42Å; T62-F65 PolarHBondContact O-N 3.15Å; T62-H66 PolarHBondContact O-N 2.9Å
63D90.8Very high90.4Very high39 Ų3938 Ų3821%0.20918%0.184CC..Hα-helixtrans-67.2-38.1177.5-69.7-15.5000111.6C43 K59 I60 F61 H66 Y67C43-D63 HydrophobicContact CB-CB 4.05Å; K59-D63 WeakPolarHBondContact CE-OD1 3.46Å; K59-D63 WeakPolarHBondContact CE-OD2 3.37Å; K59-D63 VanDerWaalsContact NZ-CG 3.35Å; K59-D63 IonicContact NZ-OD1 3.29Å; K59-D63 PolarHBondContact NZ-OD1 2.82Å; K59-D63 IonicContact NZ-OD2 2.65Å; K59-D63 PolarHBondContact NZ-OD2 3.35Å; K59-D63 WeakPolarHBondContact O-CB 3.33Å; K59-D63 VanDerWaalsContact O-CG 3.24Å; K59-D63 PolarHBondContact O-N 2.95Å; I60-D63 PolarHBondContact O-N 2.88Å; F61-D63 VanDerWaalsContact C-N 3.34Å; D63-H66 PolarHBondContact O-N 3.27Å; D63-Y67 WeakPolarHBondContact O-CB 3.36Å; D63-Y67 PolarHBondContact O-N 3.41Å
64I94.4Very high90.8Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-61-47.8172.8-69166.6000110.6M36 I40 C43 I60 F61 H66 Y67 L68 L143 L147M36-I64 HydrophobicContact CE-CG2 3.99Å; I40-I64 HydrophobicContact CG1-CD1 4.12Å; C43-I64 HydrophobicContact CB-CG1 3.72Å; I60-I64 HydrophobicContact CG2-CD1 3.88Å; I60-I64 HydrophobicContact CG2-CG1 4.47Å; I60-I64 VanDerWaalsContact O-CG1 3.31Å; I60-I64 WeakPolarHBondContact O-CG1 3.29Å; I60-I64 PolarHBondContact O-N 2.61Å; F61-I64 PolarHBondContact O-N 3.42Å; I64-H66 VanDerWaalsContact C-N 3.35Å; I64-H66 PolarHBondContact O-N 2.77Å; I64-Y67 PolarHBondContact O-N 3.41Å; I64-L68 HydrophobicContact CG2-CD1 4.15Å; I64-L68 HydrophobicContact CG2-CG 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 2.77Å; I64-L143 HydrophobicContact CD1-CD1 3.76Å; I64-L143 HydrophobicContact CD1-CD2 4.33Å; I64-L147 HydrophobicContact CG2-CD2 4.2Å
65F94.8Very high91.2Very high13 Ų1334.7 Ų34.76%0.05717%0.172CC..Hα-helixtrans-60.8-44.1179.8-65.7-12.7000112.4F61 T62 Y67 L68 E69 H146 L147 F150 F619F61-F65 WeakPolarHBondContact O-CD1 3.46Å; F61-F65 VanDerWaalsContact O-CG 3.23Å; F61-F65 WeakPolarHBondContact O-CG 3.26Å; F61-F65 PolarHBondContact O-N 3.13Å; T62-F65 PolarHBondContact O-N 3.15Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; F65-Y67 PolarHBondContact O-N 3.44Å; F65-L68 PolarHBondContact O-N 3.21Å; F65-E69 PolarHBondContact O-N 2.81Å; F65-E69 VanDerWaalsContact O-N 3.09Å; F65-H146 HydrophobicContact CE1-CB 4.47Å; F65-H146 HydrophobicContact CZ-CB 3.85Å; F65-H146 VanDerWaalsContact CZ-O 3.31Å; F65-H146 WeakPolarHBondContact CZ-O 3.49Å; F65-L147 HydrophobicContact CD1-CD2 4.31Å; F65-L147 HydrophobicContact CE1-CD2 4Å; F65-L147 HydrophobicContact CE1-CG 4.48Å; F65-F150 HydrophobicContact CB-CD2 3.77Å; F65-F150 HydrophobicContact CB-CE2 3.67Å; F65-F150 HydrophobicContact CB-CZ 4.36Å; F65-F150 HydrophobicContact CD1-CB 3.91Å; F65-F150 HydrophobicContact CD1-CD1 4.3Å; F65-F150 AromaticContact CD1-CD2 3.81Å; F65-F150 HydrophobicContact CD1-CD2 3.81Å; F65-F150 HydrophobicContact CD1-CE2 4.4Å; F65-F150 AromaticContact CD1-CG 3.75Å; F65-F150 HydrophobicContact CD1-CG 3.75Å; F65-F150 AromaticContact CD2-CD2 3.95Å; F65-F150 HydrophobicContact CD2-CD2 3.95Å; F65-F150 HydrophobicContact CE1-CB 3.59Å; F65-F150 HydrophobicContact CE1-CD2 4.35Å; F65-F150 AromaticContact CE1-CG 3.98Å; F65-F150 HydrophobicContact CE1-CG 3.98Å; F65-F150 HydrophobicContact CE2-CB 4.22Å; F65-F150 HydrophobicContact CE2-CD2 4.45Å; F65-F150 HydrophobicContact CG-CB 4.35Å; F65-F150 AromaticContact CG-CD2 3.58Å; F65-F150 HydrophobicContact CG-CD2 3.58Å; F65-F150 HydrophobicContact CG-CE2 4.02Å; F65-F150 HydrophobicContact CG-CG 4.02Å; F65-F150 HydrophobicContact CZ-CB 3.74Å; F65-F150 HydrophobicContact CZ-CG 4.42Å; F65-F619 HydrophobicContact CD2-CZ 4.33Å; F65-F619 HydrophobicContact CE2-CE2 4.21Å; F65-F619 HydrophobicContact CE2-CZ 4.42Å
66H92.3Very high91.5Very high67 Ų6738.6 Ų38.631%0.3119%0.188SC..Hα-helixtrans-60.7-44176.2-173.858.8000111.4T62 D63 I64 L68 E69 V70 E242T62-H66 PolarHBondContact O-N 2.9Å; D63-H66 PolarHBondContact O-N 3.27Å; I64-H66 VanDerWaalsContact C-N 3.35Å; I64-H66 PolarHBondContact O-N 2.77Å; H66-L68 PolarHBondContact O-N 3.48Å; H66-E69 PolarHBondContact O-N 2.84Å; H66-V70 VanDerWaalsContact O-CG2 3.26Å; H66-V70 WeakPolarHBondContact O-CG2 3.19Å; H66-V70 PolarHBondContact O-N 3.48Å; H66-E242 IonicContact CE1-OE1 3.76Å; H66-E242 PolarHBondContact CE1-OE1 3.15Å; H66-E242 IonicContact CE1-OE2 3.02Å; H66-E242 IonicContact NE2-OE1 3.34Å; H66-E242 PolarHBondContact NE2-OE1 2.88Å; H66-E242 IonicContact NE2-OE2 3.2Å; H66-E242 PolarHBondContact NE2-OE2 2.74Å
67Y93.1Very high91.7Very high6 Ų635.8 Ų35.82%0.02417%0.168CC..Hα-helixtrans-61.4-45178.1-155.4-73.1000112I39 D63 I64 F65 E69 V70 L71 Y203 E226 P241I39-Y67 HydrophobicContact CD1-CD1 4.1Å; I39-Y67 HydrophobicContact CD1-CE1 4.43Å; I39-Y67 HydrophobicContact CG1-CD1 4.22Å; I39-Y67 HydrophobicContact CG1-CE1 4.32Å; I39-Y67 HydrophobicContact CG2-CD1 3.92Å; I39-Y67 HydrophobicContact CG2-CG 3.92Å; D63-Y67 WeakPolarHBondContact O-CB 3.36Å; D63-Y67 PolarHBondContact O-N 3.41Å; I64-Y67 PolarHBondContact O-N 3.41Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; F65-Y67 PolarHBondContact O-N 3.44Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; Y67-E69 PolarHBondContact O-N 3.39Å; Y67-V70 PolarHBondContact O-N 3.36Å; Y67-L71 HydrophobicContact CD1-CD1 3.82Å; Y67-L71 HydrophobicContact CD1-CD2 4.49Å; Y67-L71 HydrophobicContact CD1-CG 3.83Å; Y67-L71 HydrophobicContact CE1-CD1 3.69Å; Y67-L71 HydrophobicContact CE1-CD2 3.9Å; Y67-L71 HydrophobicContact CE1-CG 3.71Å; Y67-L71 WeakPolarHBondContact O-CG 3.42Å; Y67-L71 PolarHBondContact O-N 2.85Å; Y67-Y203 HydrophobicContact CE1-CE2 4.39Å; Y67-Y203 AromaticContact CE1-CZ 3.91Å; Y67-Y203 PolarHBondContact OH-OH 3.05Å; Y67-Y203 VanDerWaalsContact OH-OH 3.06Å; Y67-E226 PolarHBondContact OH-OE1 3.03Å; Y67-P241 HydrophobicContact CD2-CB 4.17Å; Y67-P241 HydrophobicContact CD2-CG 3.77Å; Y67-P241 HydrophobicContact CE2-CB 4.4Å; Y67-P241 HydrophobicContact CE2-CG 4.32Å; Y67-P241 HydrophobicContact CG-CG 4.44Å
68L94.4Very high91.7Very high0 Ų039.6 Ų39.60%018%0.18CC..Hα-helixtrans-61-42.3177.5-69174.7000112.6L34 M36 I39 I64 F65 H66 V70 L71 F72 M83 L147 F150L34-L68 HydrophobicContact CD1-CD2 3.37Å; M36-L68 HydrophobicContact CE-CD1 3.98Å; M36-L68 HydrophobicContact CE-CD2 3.79Å; M36-L68 HydrophobicContact CE-CG 4.24Å; M36-L68 HydrophobicContact SD-CD2 3.56Å; M36-L68 VanDerWaalsContact SD-CD2 3.56Å; I39-L68 HydrophobicContact CD1-CD2 4.09Å; I64-L68 HydrophobicContact CG2-CD1 4.15Å; I64-L68 HydrophobicContact CG2-CG 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 2.77Å; F65-L68 PolarHBondContact O-N 3.21Å; H66-L68 PolarHBondContact O-N 3.48Å; L68-V70 VanDerWaalsContact C-N 3.34Å; L68-L71 PolarHBondContact O-N 3.12Å; L68-F72 WeakPolarHBondContact O-CB 3.41Å; L68-F72 PolarHBondContact O-N 3.45Å; L68-M83 HydrophobicContact CD1-SD 4.26Å; L68-M83 HydrophobicContact CD2-SD 4.47Å; L68-L147 HydrophobicContact CD1-CD2 3.77Å; L68-F150 HydrophobicContact CB-CE1 4.04Å; L68-F150 HydrophobicContact CB-CZ 4.17Å; L68-F150 HydrophobicContact CD1-CD1 4.22Å; L68-F150 HydrophobicContact CD1-CE1 3.85Å
69E92.6Very high91.8Very high67 Ų6740.8 Ų40.831%0.31318%0.182SC..Hα-helixtrans-62.3-43177.2176.1166.4-172.600111.9F65 H66 Y67 F72 R73 K154F65-E69 PolarHBondContact O-N 2.81Å; F65-E69 VanDerWaalsContact O-N 3.09Å; H66-E69 PolarHBondContact O-N 2.84Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; Y67-E69 PolarHBondContact O-N 3.39Å; E69-F72 PolarHBondContact O-N 2.77Å; E69-R73 VanDerWaalsContact O-CB 3.29Å; E69-R73 WeakPolarHBondContact O-CB 3.27Å; E69-R73 PolarHBondContact O-N 2.62Å; E69-K154 IonicContact OE1-NZ 3.97Å; E69-K154 PolarHBondContact OE1-NZ 2.93Å; E69-K154 IonicContact OE2-NZ 3.36Å; E69-K154 PolarHBondContact OE2-NZ 2.69Å
70V91.6Very high92.1Very high4 Ų436.7 Ų36.72%0.02417%0.165CC..Hα-helixtrans-62-48.4177.1173.20000110.6H66 Y67 L68 F72 R73 I74 P241 E242H66-V70 VanDerWaalsContact O-CG2 3.26Å; H66-V70 WeakPolarHBondContact O-CG2 3.19Å; H66-V70 PolarHBondContact O-N 3.48Å; Y67-V70 PolarHBondContact O-N 3.36Å; L68-V70 VanDerWaalsContact C-N 3.34Å; V70-F72 PolarHBondContact O-N 3.37Å; V70-R73 PolarHBondContact O-N 3.28Å; V70-I74 HydrophobicContact CG1-CD1 3.76Å; V70-I74 HydrophobicContact CG1-CG1 4.46Å; V70-I74 VanDerWaalsContact O-CG1 3.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 3.44Å; V70-P241 HydrophobicContact CB-CB 4.09Å; V70-P241 HydrophobicContact CG1-CB 3.98Å; V70-P241 HydrophobicContact CG2-CB 3.88Å; V70-E242 HydrophobicContact CG2-CG 4.48Å
71L92.9Very high92.3Very high0 Ų036.7 Ų36.70%017%0.165CC..Hα-helixtrans-61.2-45.2178.3-69.2-174.7000112.5L34 I39 Y67 L68 R73 I74 I75 Y203 L224 F246L34-L71 HydrophobicContact CD1-CD1 4.19Å; L34-L71 HydrophobicContact CD2-CD1 3.84Å; I39-L71 HydrophobicContact CD1-CD1 3.92Å; Y67-L71 HydrophobicContact CD1-CD1 3.82Å; Y67-L71 HydrophobicContact CD1-CD2 4.49Å; Y67-L71 HydrophobicContact CD1-CG 3.83Å; Y67-L71 HydrophobicContact CE1-CD1 3.69Å; Y67-L71 HydrophobicContact CE1-CD2 3.9Å; Y67-L71 HydrophobicContact CE1-CG 3.71Å; Y67-L71 WeakPolarHBondContact O-CG 3.42Å; Y67-L71 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 3.12Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.26Å; L71-I74 PolarHBondContact O-N 2.92Å; L71-I75 PolarHBondContact O-N 2.94Å; L71-I75 VanDerWaalsContact O-N 3.12Å; L71-Y203 HydrophobicContact CD1-CD1 3.87Å; L71-Y203 HydrophobicContact CD1-CD2 3.99Å; L71-Y203 HydrophobicContact CD1-CE1 4.01Å; L71-Y203 HydrophobicContact CD1-CE2 4.11Å; L71-Y203 HydrophobicContact CD1-CG 3.86Å; L71-Y203 HydrophobicContact CD2-CD2 3.97Å; L71-Y203 HydrophobicContact CD2-CE2 3.97Å; L71-L224 HydrophobicContact CD2-CD2 3.87Å; L71-F246 HydrophobicContact CD2-CE1 3.79Å; L71-F246 HydrophobicContact CD2-CZ 4Å
72F93.9Very high92.5Very high6 Ų637 Ų373%0.02617%0.166CC..Hα-helixtrans-61-43177.8-171.9-84.6000111.1L68 E69 V70 I74 I75 K76 P77 F81 W161 V164L68-F72 WeakPolarHBondContact O-CB 3.41Å; L68-F72 PolarHBondContact O-N 3.45Å; E69-F72 PolarHBondContact O-N 2.77Å; V70-F72 PolarHBondContact O-N 3.37Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.15Å; F72-I75 PolarHBondContact O-N 3.43Å; F72-K76 WeakPolarHBondContact O-CA 3.43Å; F72-K76 PolarHBondContact O-N 2.9Å; F72-P77 HydrophobicContact CD2-CG 4.04Å; F72-P77 HydrophobicContact CE2-CG 3.63Å; F72-P77 HydrophobicContact CZ-CG 4.16Å; F72-F81 AromaticContact CD2-CD1 3.99Å; F72-F81 HydrophobicContact CD2-CD1 3.99Å; F72-F81 HydrophobicContact CD2-CD2 4.07Å; F72-F81 HydrophobicContact CD2-CE1 4.13Å; F72-F81 HydrophobicContact CD2-CE2 4.18Å; F72-F81 AromaticContact CD2-CG 3.96Å; F72-F81 HydrophobicContact CD2-CG 3.96Å; F72-F81 HydrophobicContact CD2-CZ 4.22Å; F72-F81 HydrophobicContact CE2-CB 4.16Å; F72-F81 HydrophobicContact CE2-CD1 4.13Å; F72-F81 HydrophobicContact CE2-CD2 4.46Å; F72-F81 HydrophobicContact CE2-CG 4.01Å; F72-W161 HydrophobicContact CB-CZ2 4.03Å; F72-W161 AromaticContact CD1-CE2 3.86Å; F72-W161 HydrophobicContact CD1-CZ2 4.25Å; F72-W161 AromaticContact CD1-NE1 3.42Å; F72-W161 HydrophobicContact CD2-CD2 4.45Å; F72-W161 AromaticContact CD2-CE2 3.92Å; F72-W161 HydrophobicContact CD2-CH2 4.28Å; F72-W161 AromaticContact CD2-CZ2 3.82Å; F72-W161 HydrophobicContact CD2-CZ2 3.82Å; F72-W161 AromaticContact CE1-CD1 3.6Å; F72-W161 HydrophobicContact CE1-CD2 4.4Å; F72-W161 HydrophobicContact CE1-CG 4.16Å; F72-W161 AromaticContact CE1-NE1 3.48Å; F72-W161 HydrophobicContact CE2-CD2 4.16Å; F72-W161 HydrophobicContact CE2-CZ2 4.35Å; F72-W161 AromaticContact CG-CE2 3.83Å; F72-W161 AromaticContact CG-CZ2 3.77Å; F72-W161 HydrophobicContact CG-CZ2 3.77Å; F72-W161 AromaticContact CG-NE1 3.86Å; F72-W161 AromaticContact CZ-CD1 3.93Å; F72-W161 HydrophobicContact CZ-CD2 4.13Å; F72-W161 HydrophobicContact CZ-CG 4.02Å; F72-W161 AromaticContact CZ-NE1 3.96Å; F72-V164 HydrophobicContact CZ-CG2 4.34Å
73R90.3Very high92.8Very high123 Ų12334.6 Ų34.646%0.46415%0.152SC..Hα-helixtrans-66.9-31.7178.1-172.8175.769-163.2-1.9113E69 V70 L71 K76E69-R73 VanDerWaalsContact O-CB 3.29Å; E69-R73 WeakPolarHBondContact O-CB 3.27Å; E69-R73 PolarHBondContact O-N 2.62Å; V70-R73 PolarHBondContact O-N 3.28Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.26Å; R73-K76 WeakPolarHBondContact O-CE 3.44Å; R73-K76 VanDerWaalsContact O-CG 3.32Å; R73-K76 WeakPolarHBondContact O-CG 3.42Å
74I90Very high93Very high38 Ų3832.8 Ų32.820%0.19514%0.142CC..Hα-helixtrans-68.6-50.7176.5-71.6166.4000110.2V21 I26 V70 L71 F72 F246V21-I74 HydrophobicContact CG1-CG2 3.9Å; I26-I74 HydrophobicContact CD1-CG2 3.65Å; I26-I74 VanDerWaalsContact CD1-O 3.29Å; I26-I74 WeakPolarHBondContact CD1-O 3.41Å; V70-I74 HydrophobicContact CG1-CD1 3.76Å; V70-I74 HydrophobicContact CG1-CG1 4.46Å; V70-I74 VanDerWaalsContact O-CG1 3.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 3.44Å; L71-I74 PolarHBondContact O-N 2.92Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 PolarHBondContact O-N 3.15Å; I74-F246 HydrophobicContact CD1-CD2 3.77Å; I74-F246 HydrophobicContact CD1-CE2 3.7Å; I74-F246 HydrophobicContact CD1-CZ 4.4Å
75I92.3Very high93.1Very high6 Ų633 Ų333%0.03114%0.143CC..Hα-helixtrans-87.9-35.2-170.2-64-59.7000113.6I26 F29 L32 L71 F72 C201 L224I26-I75 HydrophobicContact CG2-CD1 4.31Å; F29-I75 HydrophobicContact CB-CG2 4Å; F29-I75 HydrophobicContact CD2-CD1 4.34Å; F29-I75 HydrophobicContact CD2-CG2 3.81Å; F29-I75 HydrophobicContact CE2-CD1 4.26Å; F29-I75 HydrophobicContact CG-CG2 4.18Å; L32-I75 HydrophobicContact CB-CG2 4.13Å; L32-I75 HydrophobicContact CD1-CB 4.37Å; L32-I75 HydrophobicContact CD1-CG1 4.17Å; L32-I75 HydrophobicContact CD1-CG2 4.12Å; L32-I75 HydrophobicContact CD2-CB 4Å; L32-I75 HydrophobicContact CD2-CG1 4.42Å; L32-I75 HydrophobicContact CD2-CG2 4.13Å; L32-I75 HydrophobicContact CG-CG2 4.35Å; L71-I75 PolarHBondContact O-N 2.94Å; L71-I75 VanDerWaalsContact O-N 3.12Å; F72-I75 PolarHBondContact O-N 3.43Å; I75-C201 HydrophobicContact CG2-CB 4.23Å; I75-L224 HydrophobicContact CD1-CD1 4.27Å; I75-L224 HydrophobicContact CD1-CD2 3.97Å; I75-L224 HydrophobicContact CG1-CD2 3.83Å
76K91Very high93.1Very high120 Ų12033.8 Ų33.852%0.52215%0.148SC..  trans51.662.3-179.6-55.4176.6-174.6171.50112.4F72 R73F72-K76 WeakPolarHBondContact O-CA 3.43Å; F72-K76 PolarHBondContact O-N 2.9Å; R73-K76 WeakPolarHBondContact O-CE 3.44Å; R73-K76 VanDerWaalsContact O-CG 3.32Å; R73-K76 WeakPolarHBondContact O-CG 3.42Å
77P93.3Very high93.2Very high8 Ų830.6 Ų30.65%0.05213%0.134CC..  trans-59.8149.6179.528.4-35.5000111.3L32 F72 V80 F81 V164L32-P77 HydrophobicContact CB-CB 3.76Å; L32-P77 HydrophobicContact CB-CG 3.91Å; L32-P77 HydrophobicContact CD2-CG 4.28Å; F72-P77 HydrophobicContact CD2-CG 4.04Å; F72-P77 HydrophobicContact CE2-CG 3.63Å; F72-P77 HydrophobicContact CZ-CG 4.16Å; P77-V80 WeakPolarHBondContact CB-O 3.45Å; P77-F81 HydrophobicContact CG-CB 4.29Å; P77-V164 HydrophobicContact CG-CG1 4.47Å; P77-V164 VanDerWaalsContact O-CG2 3.23Å; P77-V164 WeakPolarHBondContact O-CG2 3.25Å
78R87.1Confident93.3Very high115 Ų11530.3 Ų30.343%0.43413%0.133SC..SBendtrans-107-21.9-173.2-64.9-173.266.1-161.6-7.3115.3E28 F29 D30 S733E28-R78 IonicContact OE2-CZ 3.33Å; E28-R78 IonicContact OE2-NH1 3.39Å; E28-R78 PolarHBondContact OE2-NH1 3.05Å; F29-R78 PolarHBondContact O-N 2.84Å; F29-R78 VanDerWaalsContact O-N 3.16Å; D30-R78 PolarHBondContact O-N 3.26Å; R78-S733 PolarHBondContact NH1-OG 3.06Å
79K88.9Confident93.2Very high92 Ų9230.5 Ų30.540%0.413%0.134SC..SBendtrans-123.2-56.6-177.2-59.2-174-170.6173.20110.8D30 T165D30-K79 HydrophobicContact CB-CD 4.05Å; D30-K79 HydrophobicContact CB-CG 4.18Å; D30-K79 WeakPolarHBondContact O-CA 3.47Å; D30-K79 PolarHBondContact O-N 2.57Å; K79-T165 PolarHBondContact O-N 2.81Å
80V94.2Very high93.4Very high15 Ų1527.3 Ų27.39%0.09112%0.119CC..EExtended strand (participates in β ladder)trans-125.9135.8-171.5176.70000112.1D30 N31 L32 P77 F82 T165 Y167 F184D30-V80 PolarHBondContact O-N 3.29Å; D30-V80 VanDerWaalsContact O-N 3.11Å; N31-V80 WeakPolarHBondContact CA-O 3.46Å; N31-V80 HydrophobicContact CB-CB 4.08Å; N31-V80 WeakPolarHBondContact OD1-CB 3.36Å; L32-V80 PolarHBondContact N-O 2.84Å; P77-V80 WeakPolarHBondContact CB-O 3.45Å; V80-F82 HydrophobicContact CG1-CB 4.32Å; V80-T165 WeakPolarHBondContact CA-O 3.43Å; V80-Y167 HydrophobicContact CG1-CD2 3.82Å; V80-Y167 HydrophobicContact CG1-CE2 4.07Å; V80-Y167 HydrophobicContact CG2-CE2 4.4Å; V80-F184 HydrophobicContact CG1-CE1 4.08Å; V80-F184 HydrophobicContact CG1-CZ 4.04Å; V80-F184 HydrophobicContact CG2-CZ 4.39Å
81F97.2Very high93.5Very high0 Ų028.6 Ų28.60%012%0.123CC..EExtended strand (participates in β ladder)trans-122.7109.6164.2-179.9-128.1000109.8L32 L34 F72 P77 M83 W161 V164 T165 I166 Y167L32-F81 HydrophobicContact CB-CD2 4.07Å; L32-F81 HydrophobicContact CD2-CD2 3.73Å; L32-F81 HydrophobicContact CD2-CE2 3.61Å; L32-F81 HydrophobicContact CG-CD2 3.87Å; L32-F81 HydrophobicContact CG-CE2 3.98Å; L32-F81 CarbonylContact O-C 3.58Å; L32-F81 WeakPolarHBondContact O-CA 3.47Å; L34-F81 HydrophobicContact CD1-CE2 3.5Å; L34-F81 VanDerWaalsContact CD1-CE2 3.5Å; L34-F81 HydrophobicContact CD1-CZ 3.49Å; L34-F81 VanDerWaalsContact CD1-CZ 3.49Å; L34-F81 HydrophobicContact CD2-CE2 4.38Å; L34-F81 HydrophobicContact CG-CE2 3.67Å; L34-F81 HydrophobicContact CG-CZ 4.15Å; F72-F81 AromaticContact CD2-CD1 3.99Å; F72-F81 HydrophobicContact CD2-CD1 3.99Å; F72-F81 HydrophobicContact CD2-CD2 4.07Å; F72-F81 HydrophobicContact CD2-CE1 4.13Å; F72-F81 HydrophobicContact CD2-CE2 4.18Å; F72-F81 AromaticContact CD2-CG 3.96Å; F72-F81 HydrophobicContact CD2-CG 3.96Å; F72-F81 HydrophobicContact CD2-CZ 4.22Å; F72-F81 HydrophobicContact CE2-CB 4.16Å; F72-F81 HydrophobicContact CE2-CD1 4.13Å; F72-F81 HydrophobicContact CE2-CD2 4.46Å; F72-F81 HydrophobicContact CE2-CG 4.01Å; P77-F81 HydrophobicContact CG-CB 4.29Å; F81-M83 HydrophobicContact CD1-CG 4.31Å; F81-M83 HydrophobicContact CE1-CE 4.32Å; F81-M83 HydrophobicContact CE1-CG 3.65Å; F81-M83 HydrophobicContact CE1-SD 3.58Å; F81-M83 VanDerWaalsContact CE1-SD 3.58Å; F81-M83 HydrophobicContact CE2-CG 4.3Å; F81-M83 HydrophobicContact CZ-CG 3.67Å; F81-M83 HydrophobicContact CZ-SD 3.9Å; F81-W161 AromaticContact CD1-CH2 4Å; F81-W161 HydrophobicContact CD1-CH2 4Å; F81-W161 AromaticContact CD1-CZ3 3.83Å; F81-W161 HydrophobicContact CD1-CZ3 3.83Å; F81-W161 AromaticContact CE1-CH2 3.45Å; F81-W161 HydrophobicContact CE1-CH2 3.45Å; F81-W161 VanDerWaalsContact CE1-CH2 3.45Å; F81-W161 HydrophobicContact CE1-CZ2 4.36Å; F81-W161 AromaticContact CE1-CZ3 3.7Å; F81-W161 HydrophobicContact CE1-CZ3 3.7Å; F81-W161 HydrophobicContact CZ-CH2 4.32Å; F81-V164 HydrophobicContact CB-CG1 3.73Å; F81-T165 PolarHBondContact N-O 3.13Å; F81-I166 HydrophobicContact CB-CG1 4.21Å; F81-I166 HydrophobicContact CD1-CG1 4.22Å; F81-I166 HydrophobicContact CD1-CG2 4.18Å; F81-I166 CarbonylContact O-C 3.49Å; F81-I166 VanDerWaalsContact O-CA 3.27Å; F81-I166 WeakPolarHBondContact O-CA 3.35Å; F81-Y167 PolarHBondContact O-N 3.41Å
82F96.8Very high93.4Very high7 Ų728.8 Ų28.83%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-110.6123.2-175.7-164.3-69.4000110.1L32 Y33 L34 V80 A84 Y167 I181 F184L32-F82 PolarHBondContact O-N 2.96Å; Y33-F82 CarbonylContact C-O 3.57Å; Y33-F82 WeakPolarHBondContact CA-O 3.26Å; Y33-F82 HydrophobicContact CD1-CB 3.6Å; Y33-F82 HydrophobicContact CD1-CG 4.17Å; Y33-F82 HydrophobicContact CE1-CB 4.23Å; Y33-F82 HydrophobicContact CG-CB 4.5Å; L34-F82 PolarHBondContact N-O 2.81Å; V80-F82 HydrophobicContact CG1-CB 4.32Å; F82-A84 HydrophobicContact CD1-CB 4.15Å; F82-A84 HydrophobicContact CE1-CB 3.81Å; F82-Y167 CarbonylContact C-O 3.35Å; F82-Y167 WeakPolarHBondContact CA-O 3.27Å; F82-Y167 HydrophobicContact CD2-CD2 4.27Å; F82-Y167 AromaticContact CD2-CG 3.88Å; F82-Y167 HydrophobicContact CD2-CG 3.88Å; F82-Y167 HydrophobicContact CE2-CG 4.18Å; F82-I181 HydrophobicContact CD1-CG1 3.7Å; F82-I181 HydrophobicContact CE1-CG1 3.87Å; F82-F184 HydrophobicContact CD2-CB 4.22Å; F82-F184 AromaticContact CD2-CD1 3.93Å; F82-F184 HydrophobicContact CD2-CD1 3.93Å; F82-F184 HydrophobicContact CD2-CD2 4.01Å; F82-F184 HydrophobicContact CD2-CE1 4.3Å; F82-F184 HydrophobicContact CD2-CE2 4.37Å; F82-F184 AromaticContact CD2-CG 3.76Å; F82-F184 HydrophobicContact CD2-CG 3.76Å; F82-F184 HydrophobicContact CE2-CB 3.67Å; F82-F184 HydrophobicContact CE2-CD1 4.22Å; F82-F184 AromaticContact CE2-CD2 3.72Å; F82-F184 HydrophobicContact CE2-CD2 3.72Å; F82-F184 HydrophobicContact CE2-CE2 4.43Å; F82-F184 AromaticContact CE2-CG 3.59Å; F82-F184 HydrophobicContact CE2-CG 3.59Å; F82-F184 HydrophobicContact CZ-CB 4.25Å
83M97.1Very high93.4Very high1 Ų128.9 Ų28.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-113122.7174.1-55.8178.8-69.800109.6L34 M36 L68 F81 V151 I166 Y167 F168 S169L34-M83 HydrophobicContact CD1-CG 4.38Å; M36-M83 HydrophobicContact CG-CB 4.33Å; M36-M83 HydrophobicContact SD-CB 4.31Å; L68-M83 HydrophobicContact CD1-SD 4.26Å; L68-M83 HydrophobicContact CD2-SD 4.47Å; F81-M83 HydrophobicContact CD1-CG 4.31Å; F81-M83 HydrophobicContact CE1-CE 4.32Å; F81-M83 HydrophobicContact CE1-CG 3.65Å; F81-M83 HydrophobicContact CE1-SD 3.58Å; F81-M83 VanDerWaalsContact CE1-SD 3.58Å; F81-M83 HydrophobicContact CE2-CG 4.3Å; F81-M83 HydrophobicContact CZ-CG 3.67Å; F81-M83 HydrophobicContact CZ-SD 3.9Å; M83-V151 HydrophobicContact CE-CG2 3.24Å; M83-I166 HydrophobicContact CE-CG2 4.14Å; M83-Y167 PolarHBondContact N-O 3.28Å; M83-F168 HydrophobicContact CB-CD2 4.18Å; M83-F168 HydrophobicContact CE-CB 4.12Å; M83-F168 HydrophobicContact CE-CD2 4Å; M83-F168 HydrophobicContact CE-CG 4.31Å; M83-S169 PolarHBondContact O-N 2.79Å
84A95.3Very high93.5Very high0 Ų023.4 Ų23.40%011%0.105CC..EExtended strand (participates in β ladder)trans-118.4125.6-178.700000110.7L34 M36 F82 G177 I181L34-A84 PolarHBondContact O-N 2.99Å; M36-A84 WeakPolarHBondContact CB-O 3.5Å; M36-A84 VanDerWaalsContact CG-O 3.24Å; M36-A84 WeakPolarHBondContact CG-O 3.25Å; M36-A84 PolarHBondContact N-O 2.83Å; F82-A84 HydrophobicContact CD1-CB 4.15Å; F82-A84 HydrophobicContact CE1-CB 3.81Å; A84-G177 WeakPolarHBondContact CB-O 3.3Å; A84-I181 HydrophobicContact CB-CD1 3.71Å; A84-I181 HydrophobicContact CB-CG1 3.75Å
85V95.9Very high93.5Very high4 Ų423.4 Ų23.42%0.02411%0.105CC..  trans-109.4139.8171.9-178.20000108.2M36 I40 G87 M140 L147 F168 S169 H171 K180M36-V85 HydrophobicContact CB-CB 4.47Å; M36-V85 HydrophobicContact CB-CG2 3.73Å; M36-V85 HydrophobicContact CG-CG2 3.8Å; I40-V85 HydrophobicContact CD1-CG1 4.18Å; V85-G87 PolarHBondContact O-N 2.76Å; V85-M140 HydrophobicContact CG1-CE 3.3Å; V85-L147 HydrophobicContact CG2-CD1 4.44Å; V85-F168 HydrophobicContact CG2-CE2 4.11Å; V85-S169 PolarHBondContact N-O 2.85Å; V85-H171 HydrophobicContact CG1-CB 4.11Å; V85-K180 PolarHBondContact O-NZ 3.33Å
86D95.6Very high93.4Very high30 Ų3025.5 Ų25.516%0.1612%0.115CC..  trans-57.7128.5177.7-73.4-10.8000111.3N37 H171 G177N37-D86 VanDerWaalsContact CG-OD2 3.32Å; N37-D86 WeakPolarHBondContact ND2-CB 3.28Å; N37-D86 PolarHBondContact ND2-OD2 2.77Å; N37-D86 PolarHBondContact OD1-N 3.29Å; D86-H171 WeakPolarHBondContact O-CA 3.44Å; D86-H171 WeakPolarHBondContact O-CB 3.38Å; D86-G177 PolarHBondContact OD1-N 3.33Å
87G94.3Very high93.5Very high1 Ų120.6 Ų20.61%0.019%0.094CC..  trans-100.9-156166.800000112V85 A89 H171 T173 G175V85-G87 PolarHBondContact O-N 2.76Å; G87-A89 PolarHBondContact O-N 3.3Å; G87-H171 WeakPolarHBondContact CA-O 3.28Å; G87-T173 VanDerWaalsContact CA-O 3.32Å; G87-T173 WeakPolarHBondContact CA-O 3.35Å; G87-G175 WeakPolarHBondContact CA-O 3.3Å; G87-G175 PolarHBondContact N-O 2.82Å
88V93.9Very high93.5Very high0 Ų020.4 Ų20.40%09%0.092CC..SBendtrans-65.8124.1176.9173.90000109.6P135 G175 W477 P507 F508 P510 Q513V88-P135 HydrophobicContact CG2-CB 4.44Å; V88-P135 HydrophobicContact CG2-CG 4.2Å; V88-G175 PolarHBondContact O-N 3.38Å; V88-W477 WeakPolarHBondContact O-CZ3 3.42Å; V88-P507 HydrophobicContact CG1-CB 4.32Å; V88-F508 HydrophobicContact CG1-CB 3.95Å; V88-F508 WeakPolarHBondContact CG1-O 3.29Å; V88-F508 WeakPolarHBondContact CG2-O 3.46Å; V88-P510 HydrophobicContact CG2-CG 4.34Å; V88-Q513 HydrophobicContact CG1-CB 4.2Å; V88-Q513 HydrophobicContact CG2-CB 4.37Å
89A94.1Very high93.8Very high3 Ų315.3 Ų15.33%0.0258%0.075CC..PPolyproline II helixtrans-91.9158.2-176.500000111.8G87 K93 E176G87-A89 PolarHBondContact O-N 3.3Å; A89-K93 HydrophobicContact CB-CB 4.14Å; A89-K93 HydrophobicContact CB-CG 4.26Å; A89-E176 HydrophobicContact CB-CG 4.19Å
90P94.7Very high93.9Very high0 Ų014.5 Ų14.50%07%0.07CC..PPolyproline II helixtrans-61152.3170.9-21.132.8000112.5A92 K93 M94 W465 Y469 V474 W477P90-A92 PolarHBondContact O-N 3.4Å; P90-A92 VanDerWaalsContact O-N 3.14Å; P90-K93 WeakPolarHBondContact O-CB 3.43Å; P90-K93 PolarHBondContact O-N 3.1Å; P90-M94 WeakPolarHBondContact O-CG 3.37Å; P90-M94 PolarHBondContact O-N 3.24Å; P90-M94 VanDerWaalsContact O-N 3.14Å; P90-W465 HydrophobicContact CB-CH2 4.07Å; P90-W465 HydrophobicContact CB-CZ2 3.77Å; P90-W465 HydrophobicContact CG-CH2 4.36Å; P90-W465 HydrophobicContact CG-CZ2 4.26Å; P90-Y469 HydrophobicContact CG-CE2 4.2Å; P90-V474 HydrophobicContact CG-CG1 4.15Å; P90-V474 HydrophobicContact CG-CG2 3.76Å; P90-W477 HydrophobicContact CB-CE3 4.23Å; P90-W477 HydrophobicContact CG-CE3 3.96Å; P90-W477 HydrophobicContact CG-CZ3 3.93Å
91R93.8Very high93.9Very high32 Ų3214.7 Ų14.712%0.1217%0.069CC..Hα-helixtrans-57.5-33.1-176.7-166.5171172.2-164.2-6.7113.6K93 M94 W477 S478 Y480 I569 E571R91-K93 PolarHBondContact O-N 2.98Å; R91-M94 HydrophobicContact CB-SD 4.35Å; R91-M94 PolarHBondContact O-N 2.93Å; R91-M94 VanDerWaalsContact O-N 3.17Å; R91-W477 VanDerWaalsContact CB-O 3.29Å; R91-W477 WeakPolarHBondContact CB-O 3.44Å; R91-W477 PolarHBondContact N-O 3.11Å; R91-S478 VanDerWaalsContact CD-O 3.31Å; R91-S478 WeakPolarHBondContact CD-O 3.47Å; R91-Y480 HydrophobicContact CG-CD1 4.15Å; R91-Y480 HydrophobicContact CG-CG 4.33Å; R91-I569 PolarHBondContact NH2-O 3.02Å; R91-E571 IonicContact CZ-OE2 2.87Å; R91-E571 IonicContact NH1-OE2 2.87Å; R91-E571 PolarHBondContact NH1-OE2 3.44Å
92A92.2Very high93.8Very high4 Ų414.9 Ų14.93%0.0337%0.07CC..Hα-helixtrans-52.9-39.9172.100000112.7P90 F293 W465 W479P90-A92 PolarHBondContact O-N 3.4Å; P90-A92 VanDerWaalsContact O-N 3.14Å; A92-F293 HydrophobicContact CB-CB 4.48Å; A92-F293 HydrophobicContact CB-CD1 4.23Å; A92-W465 HydrophobicContact CB-CD2 4.46Å; A92-W465 HydrophobicContact CB-CE3 4.16Å; A92-W465 HydrophobicContact CB-CH2 3.57Å; A92-W465 HydrophobicContact CB-CZ2 3.85Å; A92-W465 HydrophobicContact CB-CZ3 3.73Å; A92-W479 HydrophobicContact CB-CE3 4.14Å; A92-W479 HydrophobicContact CB-CZ3 4.01Å; A92-W479 PolarHBondContact N-O 3.21Å; A92-W479 VanDerWaalsContact N-O 3.13Å
93K92.8Very high93.5Very high7 Ų716.3 Ų16.33%0.038%0.075CC..Hα-helixtrans-83.2-32.3177.5-171.468.2179.8-119.40112.7A89 P90 R91 N95 Q96 Q97 E176 D292 F293A89-K93 HydrophobicContact CB-CB 4.14Å; A89-K93 HydrophobicContact CB-CG 4.26Å; P90-K93 WeakPolarHBondContact O-CB 3.43Å; P90-K93 PolarHBondContact O-N 3.1Å; R91-K93 PolarHBondContact O-N 2.98Å; K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 2.94Å; K93-Q96 WeakPolarHBondContact O-CB 3.27Å; K93-Q96 PolarHBondContact O-N 2.97Å; K93-Q97 HydrophobicContact CG-CG 4.2Å; K93-Q97 PolarHBondContact O-N 3.38Å; K93-E176 WeakPolarHBondContact CD-OE2 3.5Å; K93-E176 WeakPolarHBondContact CE-OE2 3.48Å; K93-E176 WeakPolarHBondContact CG-OE2 3.36Å; K93-E176 IonicContact NZ-OE2 2.65Å; K93-E176 PolarHBondContact NZ-OE2 2.92Å; K93-D292 HydrophobicContact CD-CB 3.97Å; K93-D292 IonicContact NZ-OD2 3.43Å; K93-D292 PolarHBondContact NZ-OD2 2.8Å; K93-F293 HydrophobicContact CB-CD1 4.15Å; K93-F293 HydrophobicContact CB-CE1 4.02Å; K93-F293 HydrophobicContact CD-CD1 4.19Å; K93-F293 HydrophobicContact CD-CE1 3.84Å; K93-F293 HydrophobicContact CG-CE1 4.4Å
94M92.6Very high93.1Very high9 Ų917.7 Ų17.74%0.0449%0.085CC..Hα-helixtrans-57.2-36.7-175.5-69.5177.675.300113.6P90 R91 Q96 Q97 R98 F508 Q513 A516 V517P90-M94 WeakPolarHBondContact O-CG 3.37Å; P90-M94 PolarHBondContact O-N 3.24Å; P90-M94 VanDerWaalsContact O-N 3.14Å; R91-M94 HydrophobicContact CB-SD 4.35Å; R91-M94 PolarHBondContact O-N 2.93Å; R91-M94 VanDerWaalsContact O-N 3.17Å; M94-Q96 VanDerWaalsContact C-N 3.34Å; M94-Q96 PolarHBondContact O-N 2.95Å; M94-Q97 PolarHBondContact O-N 3.47Å; M94-R98 VanDerWaalsContact O-CB 3.27Å; M94-R98 WeakPolarHBondContact O-CB 3.47Å; M94-R98 PolarHBondContact O-N 3.19Å; M94-F508 HydrophobicContact CE-CD2 3.44Å; M94-F508 VanDerWaalsContact CE-CD2 3.44Å; M94-F508 HydrophobicContact CE-CE2 3.72Å; M94-F508 HydrophobicContact SD-CD2 3.82Å; M94-F508 HydrophobicContact SD-CE2 4.06Å; M94-Q513 HydrophobicContact CE-CB 4.03Å; M94-Q513 HydrophobicContact CE-CG 3.96Å; M94-A516 HydrophobicContact CE-CB 3.37Å; M94-V517 HydrophobicContact CB-CG1 4.3Å; M94-V517 HydrophobicContact CE-CG1 4.06Å
95N90.3Very high92.9Very high37 Ų3718.2 Ų18.220%0.1989%0.089CC..Hα-helixtrans-63.7-40.7177.5-71.9-33.5000112K93 R98 G99 Y480 F568K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 2.94Å; N95-R98 PolarHBondContact O-N 2.86Å; N95-G99 PolarHBondContact O-N 3.49Å; N95-Y480 VanDerWaalsContact ND2-CD2 3.26Å; N95-Y480 WeakPolarHBondContact ND2-CD2 3.31Å; N95-F568 HydrophobicContact CB-CD1 4.47Å; N95-F568 HydrophobicContact CB-CE1 4.24Å
96Q90.3Very high92.6Very high51 Ų5120.9 Ų20.924%0.23810%0.101CC..Hα-helixtrans-65.7-44.9174.9-173.3-92.820.500110.9K93 M94 R98 G99 R100 D292K93-Q96 WeakPolarHBondContact O-CB 3.27Å; K93-Q96 PolarHBondContact O-N 2.97Å; M94-Q96 VanDerWaalsContact C-N 3.34Å; M94-Q96 PolarHBondContact O-N 2.95Å; Q96-R98 PolarHBondContact O-N 3.02Å; Q96-G99 PolarHBondContact O-N 3.02Å; Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.9Å; Q96-R100 VanDerWaalsContact O-N 3.1Å; Q96-D292 WeakPolarHBondContact CB-O 3.32Å
97Q92.8Very high92.3Very high16 Ų1623 Ų238%0.07511%0.109CC..Hα-helixtrans-59.2-48.7176.3-70.6-175.51.100110.5K93 M94 G99 R100 R101 V517K93-Q97 HydrophobicContact CG-CG 4.2Å; K93-Q97 PolarHBondContact O-N 3.38Å; M94-Q97 PolarHBondContact O-N 3.47Å; Q97-G99 PolarHBondContact O-N 3.25Å; Q97-R100 WeakPolarHBondContact O-CB 3.33Å; Q97-R100 PolarHBondContact O-N 3Å; Q97-R100 VanDerWaalsContact O-N 3.1Å; Q97-R101 WeakPolarHBondContact O-CG 3.46Å; Q97-R101 PolarHBondContact O-N 3Å; Q97-V517 HydrophobicContact CB-CG1 4.44Å
98R94.6Very high91.9Very high4 Ų424 Ų242%0.01512%0.118CC..Hα-helixtrans-57-48.5178.2-172.6-172.8178.9-156.5-5.7112.2M94 N95 Q96 R100 R101 F102 A516 V517 Y544 I566 P567M94-R98 VanDerWaalsContact O-CB 3.27Å; M94-R98 WeakPolarHBondContact O-CB 3.47Å; M94-R98 PolarHBondContact O-N 3.19Å; N95-R98 PolarHBondContact O-N 2.86Å; Q96-R98 PolarHBondContact O-N 3.02Å; R98-R100 VanDerWaalsContact C-N 3.26Å; R98-R100 PolarHBondContact O-N 2.98Å; R98-R101 PolarHBondContact O-N 3.36Å; R98-R101 VanDerWaalsContact O-N 3.12Å; R98-F102 HydrophobicContact CG-CD2 3.83Å; R98-F102 HydrophobicContact CG-CE2 3.76Å; R98-F102 WeakPolarHBondContact O-CD2 3.29Å; R98-F102 PolarHBondContact O-N 2.85Å; R98-A516 WeakPolarHBondContact CD-O 3.39Å; R98-V517 WeakPolarHBondContact CA-O 3.5Å; R98-V517 HydrophobicContact CB-CB 4.37Å; R98-Y544 PolarHBondContact NH2-O 3.13Å; R98-I566 HydrophobicContact CB-CD1 4.43Å; R98-I566 HydrophobicContact CG-CD1 3.68Å; R98-P567 VanDerWaalsContact CZ-O 3.29Å; R98-P567 PolarHBondContact NH1-O 3.27Å; R98-P567 PolarHBondContact NH2-O 3.4Å
99G92.6Very high91.6Very high8 Ų829.2 Ų29.28%0.08214%0.142CC..Hα-helixtrans-55.5-42.2175.900000112.3N95 Q96 Q97 R103N95-G99 PolarHBondContact O-N 3.49Å; Q96-G99 PolarHBondContact O-N 3.02Å; Q97-G99 PolarHBondContact O-N 3.25Å; G99-R103 WeakPolarHBondContact O-CB 3.44Å; G99-R103 PolarHBondContact O-N 3.37Å; G99-R103 VanDerWaalsContact O-N 3.08Å
100R91.5Very high91.4Very high75 Ų7532.2 Ų32.228%0.28316%0.158SC..Hα-helixtrans-64.9-42175.4-70173.562.8-156.94.6113M1 Q96 Q97 R98 R103 S104M1-R100 PolarHBondContact SD-NH1 3.03Å; M1-R100 PolarHBondContact SD-NH2 3.49Å; M1-R100 VanDerWaalsContact SD-NH2 3.42Å; Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.9Å; Q96-R100 VanDerWaalsContact O-N 3.1Å; Q97-R100 WeakPolarHBondContact O-CB 3.33Å; Q97-R100 PolarHBondContact O-N 3Å; Q97-R100 VanDerWaalsContact O-N 3.1Å; R98-R100 VanDerWaalsContact C-N 3.26Å; R98-R100 PolarHBondContact O-N 2.98Å; R100-R103 PolarHBondContact O-N 2.95Å; R100-S104 PolarHBondContact O-N 3.07Å; R100-S104 PolarHBondContact O-OG 3.46Å
101R93.9Very high91Very high19 Ų1934.9 Ų34.97%0.07217%0.17CC..Hα-helixtrans-67.3-39.4179.5-59.9-57.4175.3-144.65.4112.5Q97 R98 R103 S104 A105 N131 I133 V517Q97-R101 WeakPolarHBondContact O-CG 3.46Å; Q97-R101 PolarHBondContact O-N 3Å; R98-R101 PolarHBondContact O-N 3.36Å; R98-R101 VanDerWaalsContact O-N 3.12Å; R101-R103 VanDerWaalsContact C-N 3.35Å; R101-S104 WeakPolarHBondContact CA-OG 3.36Å; R101-S104 PolarHBondContact O-OG 3.04Å; R101-A105 WeakPolarHBondContact O-CB 3.5Å; R101-A105 PolarHBondContact O-N 3.42Å; R101-A105 VanDerWaalsContact O-N 3.16Å; R101-N131 WeakPolarHBondContact CD-OD1 3.36Å; R101-N131 PolarHBondContact O-ND2 3.05Å; R101-I133 PolarHBondContact NH2-O 3.34Å; R101-V517 WeakPolarHBondContact CB-O 3.42Å
102F94.4Very high90.6Very high4 Ų436.1 Ų36.12%0.01818%0.178CC..Hα-helixtrans-63.6-42.9173.4-89.5-106.7000111.3R98 K106 P519 Y545 F549 I566R98-F102 HydrophobicContact CG-CD2 3.83Å; R98-F102 HydrophobicContact CG-CE2 3.76Å; R98-F102 WeakPolarHBondContact O-CD2 3.29Å; R98-F102 PolarHBondContact O-N 2.85Å; F102-K106 WeakPolarHBondContact O-CB 3.35Å; F102-K106 PolarHBondContact O-N 2.84Å; F102-K106 VanDerWaalsContact O-N 3.07Å; F102-P519 HydrophobicContact CD1-CB 4Å; F102-P519 HydrophobicContact CD2-CB 3.86Å; F102-P519 HydrophobicContact CE1-CB 4.04Å; F102-P519 HydrophobicContact CE2-CB 3.91Å; F102-P519 HydrophobicContact CG-CB 3.93Å; F102-P519 HydrophobicContact CZ-CB 4.01Å; F102-Y545 HydrophobicContact CZ-CD1 4.18Å; F102-F549 HydrophobicContact CB-CE1 3.95Å; F102-F549 HydrophobicContact CB-CZ 3.96Å; F102-F549 HydrophobicContact CD1-CD1 4.01Å; F102-F549 AromaticContact CD1-CE1 3.93Å; F102-F549 HydrophobicContact CD1-CE1 3.93Å; F102-F549 HydrophobicContact CG-CE1 4.46Å; F102-I566 HydrophobicContact CD1-CG2 4.23Å; F102-I566 HydrophobicContact CD2-CD1 4.05Å; F102-I566 HydrophobicContact CE2-CD1 4.34Å; F102-I566 HydrophobicContact CG-CD1 4.21Å
103R90.7Very high90.4Very high37 Ų3741.8 Ų41.814%0.1420%0.202CC..Hα-helixtrans-65.1-48.6178-163.3-168.6-59.3143.8-8.6112.2G99 R100 R101 A105 K106 E107 W560 A562G99-R103 WeakPolarHBondContact O-CB 3.44Å; G99-R103 PolarHBondContact O-N 3.37Å; G99-R103 VanDerWaalsContact O-N 3.08Å; R100-R103 PolarHBondContact O-N 2.95Å; R101-R103 VanDerWaalsContact C-N 3.35Å; R103-A105 VanDerWaalsContact C-N 3.28Å; R103-A105 PolarHBondContact O-N 3.05Å; R103-K106 PolarHBondContact O-N 2.99Å; R103-E107 WeakPolarHBondContact CD-OE1 3.4Å; R103-E107 HydrophobicContact CG-CG 4.25Å; R103-E107 VanDerWaalsContact CG-OE1 3.27Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 WeakPolarHBondContact O-CG 3.26Å; R103-E107 PolarHBondContact O-N 3.01Å; R103-W560 VanDerWaalsContact CZ-O 3.32Å; R103-W560 VanDerWaalsContact NH1-C 3.29Å; R103-W560 VanDerWaalsContact NH1-CA 3.32Å; R103-W560 PolarHBondContact NH1-O 2.83Å; R103-W560 PolarHBondContact NH2-O 3.29Å; R103-A562 PolarHBondContact NH2-O 2.89Å
104S89.8Confident90.2Very high31 Ų3147.3 Ų47.322%0.21723%0.226CC..Hα-helixtrans-59.4-40.1179.957.50000112R100 R101 A108 N131R100-S104 PolarHBondContact O-N 3.07Å; R100-S104 PolarHBondContact O-OG 3.46Å; R101-S104 WeakPolarHBondContact CA-OG 3.36Å; R101-S104 PolarHBondContact O-OG 3.04Å; S104-A108 WeakPolarHBondContact O-CB 3.07Å; S104-A108 PolarHBondContact O-N 2.86Å; S104-N131 PolarHBondContact OG-OD1 3.14Å
105A90.9Very high89.9Confident11 Ų1147 Ų479%0.09123%0.225CC..Hα-helixtrans-63.7-49.1175.400000111.9R101 R103 E107 A108 E109 P519 A521R101-A105 WeakPolarHBondContact O-CB 3.5Å; R101-A105 PolarHBondContact O-N 3.42Å; R101-A105 VanDerWaalsContact O-N 3.16Å; R103-A105 VanDerWaalsContact C-N 3.28Å; R103-A105 PolarHBondContact O-N 3.05Å; A105-E107 PolarHBondContact O-N 3.19Å; A105-A108 PolarHBondContact O-N 3.1Å; A105-E109 WeakPolarHBondContact O-CG 3.37Å; A105-E109 PolarHBondContact O-N 2.98Å; A105-P519 HydrophobicContact CB-CB 4.36Å; A105-P519 HydrophobicContact CB-CG 3.62Å; A105-A521 HydrophobicContact CB-CB 3.99Å
106K89.7Confident89.8Confident60 Ų6050.1 Ų50.126%0.26124%0.24SC..Hα-helixtrans-62.1-44.1178.6-175.8168.9176.6171.90112.2F102 R103 A108 E109 D110 D548 F549F102-K106 WeakPolarHBondContact O-CB 3.35Å; F102-K106 PolarHBondContact O-N 2.84Å; F102-K106 VanDerWaalsContact O-N 3.07Å; R103-K106 PolarHBondContact O-N 2.99Å; K106-A108 VanDerWaalsContact C-N 3.32Å; K106-A108 PolarHBondContact O-N 3.09Å; K106-E109 PolarHBondContact O-N 3.01Å; K106-D110 WeakPolarHBondContact O-CB 3.49Å; K106-D110 PolarHBondContact O-N 3.1Å; K106-D548 IonicContact NZ-OD1 2.66Å; K106-D548 PolarHBondContact NZ-OD1 3.11Å; K106-F549 HydrophobicContact CB-CE1 4.15Å; K106-F549 HydrophobicContact CB-CZ 3.95Å; K106-F549 HydrophobicContact CD-CD1 4.46Å; K106-F549 HydrophobicContact CD-CE1 3.74Å; K106-F549 HydrophobicContact CD-CE2 4.19Å; K106-F549 HydrophobicContact CD-CZ 3.58Å; K106-F549 HydrophobicContact CG-CZ 4.41Å; K106-F549 PolarHBondContact NZ-O 3.29Å
107E88Confident89.8Confident74 Ų7454 Ų5435%0.34626%0.259SS..Hα-helixtrans-61.8-39.1175.9-74.3175.8-167.300112.1R103 A105 K111R103-E107 WeakPolarHBondContact CD-OE1 3.4Å; R103-E107 HydrophobicContact CG-CG 4.25Å; R103-E107 VanDerWaalsContact CG-OE1 3.27Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 WeakPolarHBondContact O-CG 3.26Å; R103-E107 PolarHBondContact O-N 3.01Å; A105-E107 PolarHBondContact O-N 3.19Å; E107-K111 WeakPolarHBondContact O-CB 3.27Å; E107-K111 VanDerWaalsContact O-CG 3.23Å; E107-K111 WeakPolarHBondContact O-CG 3.38Å; E107-K111 PolarHBondContact O-N 2.91Å
108A86.8Confident89.5Confident23 Ų2360.8 Ų60.819%0.1929%0.288CS..Hα-helixtrans-66.3-44.7176.200000111.8S104 A105 K106 K111 I112S104-A108 WeakPolarHBondContact O-CB 3.07Å; S104-A108 PolarHBondContact O-N 2.86Å; A105-A108 PolarHBondContact O-N 3.1Å; K106-A108 VanDerWaalsContact C-N 3.32Å; K106-A108 PolarHBondContact O-N 3.09Å; A108-K111 PolarHBondContact O-N 2.94Å; A108-I112 WeakPolarHBondContact O-CD1 3.28Å; A108-I112 VanDerWaalsContact O-CG1 3.26Å; A108-I112 WeakPolarHBondContact O-CG1 3.24Å; A108-I112 PolarHBondContact O-N 3.4Å
109E88Confident89Confident108 Ų10863.6 Ų63.651%0.50532%0.318SS..Hα-helixtrans-61.3-46.3175.6-74.1179.8-179.200111.8A105 K106 K111 I112 K113 A521A105-E109 WeakPolarHBondContact O-CG 3.37Å; A105-E109 PolarHBondContact O-N 2.98Å; K106-E109 PolarHBondContact O-N 3.01Å; E109-K111 PolarHBondContact O-N 3.47Å; E109-I112 PolarHBondContact O-N 2.92Å; E109-K113 WeakPolarHBondContact O-CB 3.34Å; E109-K113 PolarHBondContact O-N 3.49Å; E109-A521 VanDerWaalsContact OE1-CB 3.3Å; E109-A521 WeakPolarHBondContact OE1-CB 3.36Å
110D88.2Confident88.6Confident67 Ų6766.8 Ų66.836%0.35833%0.331SS..Hα-helixtrans-62.8-40.4178.4-78.5-22.4000112.1K106 K114K106-D110 WeakPolarHBondContact O-CB 3.49Å; K106-D110 PolarHBondContact O-N 3.1Å; D110-K114 WeakPolarHBondContact O-CB 3.36Å; D110-K114 VanDerWaalsContact O-CG 3.22Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 3.35Å
111K86.6Confident88.2Confident56 Ų5669.3 Ų69.324%0.24336%0.355CS..Hα-helixtrans-64-43.3175.3-76.4176.5-178.7-179.70111.2D48 D49 V51 E107 A108 E109 K114 A115D48-K111 PolarHBondContact O-NZ 3.35Å; D49-K111 IonicContact OD1-NZ 3.78Å; D49-K111 PolarHBondContact OD1-NZ 3.02Å; V51-K111 HydrophobicContact CG1-CB 3.77Å; E107-K111 WeakPolarHBondContact O-CB 3.27Å; E107-K111 VanDerWaalsContact O-CG 3.23Å; E107-K111 WeakPolarHBondContact O-CG 3.38Å; E107-K111 PolarHBondContact O-N 2.91Å; A108-K111 PolarHBondContact O-N 2.94Å; E109-K111 PolarHBondContact O-N 3.47Å; K111-K114 PolarHBondContact O-N 3.2Å; K111-A115 PolarHBondContact O-N 3.31Å
112I86.7Confident87.7Confident58 Ų5870.9 Ų70.930%0.29736%0.364SS..Hα-helixtrans-63.4-47.9177.2-72.8166.3000110.6A108 E109 K114 A115 I116 L122A108-I112 WeakPolarHBondContact O-CD1 3.28Å; A108-I112 VanDerWaalsContact O-CG1 3.26Å; A108-I112 WeakPolarHBondContact O-CG1 3.24Å; A108-I112 PolarHBondContact O-N 3.4Å; E109-I112 PolarHBondContact O-N 2.92Å; I112-K114 PolarHBondContact O-N 3.42Å; I112-A115 PolarHBondContact O-N 2.71Å; I112-A115 VanDerWaalsContact O-N 3.13Å; I112-I116 HydrophobicContact CG2-CD1 3.77Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.33Å; I112-L122 HydrophobicContact CG2-CD1 3.82Å
113K88.3Confident87.1Confident123 Ų12373 Ų7354%0.53538%0.379SS..Hα-helixtrans-58.6-47178.3-175.1178.2176.2-177.20111.3E109 A115 I116 E117E109-K113 WeakPolarHBondContact O-CB 3.34Å; E109-K113 PolarHBondContact O-N 3.49Å; K113-A115 VanDerWaalsContact C-N 3.3Å; K113-A115 PolarHBondContact O-N 3.35Å; K113-I116 PolarHBondContact O-N 3.32Å; K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.5Å; K113-E117 WeakPolarHBondContact O-CB 3.32Å; K113-E117 VanDerWaalsContact O-CG 3.31Å; K113-E117 WeakPolarHBondContact O-CG 3.14Å; K113-E117 PolarHBondContact O-N 2.79Å
114K88.2Confident86.6Confident122 Ų12278.5 Ų78.553%0.5342%0.417SS..Hα-helixtrans-61.3-34.3176-75.1170.8-176.4169.60113.1D110 K111 I112 K118D110-K114 WeakPolarHBondContact O-CB 3.36Å; D110-K114 VanDerWaalsContact O-CG 3.22Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 3.35Å; K111-K114 PolarHBondContact O-N 3.2Å; I112-K114 PolarHBondContact O-N 3.42Å; K114-K118 WeakPolarHBondContact O-CD 3.25Å; K114-K118 WeakPolarHBondContact O-CG 3.47Å; K114-K118 PolarHBondContact O-N 3.24Å
115A85.7Confident86.2Confident4 Ų483.3 Ų83.33%0.03344%0.436CS..Hα-helixtrans-71.2-43.1176.900000111.6V51 K111 I112 K113 K118 G119 E120 L122V51-A115 HydrophobicContact CG2-CB 3.99Å; K111-A115 PolarHBondContact O-N 3.31Å; I112-A115 PolarHBondContact O-N 2.71Å; I112-A115 VanDerWaalsContact O-N 3.13Å; K113-A115 VanDerWaalsContact C-N 3.3Å; K113-A115 PolarHBondContact O-N 3.35Å; A115-K118 WeakPolarHBondContact O-CB 3.4Å; A115-K118 PolarHBondContact O-N 3.17Å; A115-G119 PolarHBondContact O-N 2.88Å; A115-E120 HydrophobicContact CB-CB 4.36Å; A115-E120 WeakPolarHBondContact O-CB 3.38Å; A115-E120 PolarHBondContact O-N 3.34Å; A115-L122 HydrophobicContact CB-CD2 4.26Å
116I87.8Confident85.6Confident101 Ų10187.2 Ų87.252%0.51847%0.468SS..Hα-helixtrans-64.6-42.7176.4-65167.7000110.9I112 K113 K118 G119 L122I112-I116 HydrophobicContact CG2-CD1 3.77Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.33Å; K113-I116 PolarHBondContact O-N 3.32Å; I116-K118 PolarHBondContact O-N 3.43Å; I116-G119 WeakPolarHBondContact O-CA 3.26Å; I116-G119 PolarHBondContact O-N 2.87Å; I116-L122 HydrophobicContact CD1-CD1 4.11Å; I116-L122 HydrophobicContact CG1-CD1 3.91Å
117E90.2Very high85.4Confident134 Ų13487.2 Ų87.263%0.62647%0.467SS*.Hα-helixtrans-61.4-29.2175.9-75.5172.7177.900112.6K113 G119K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.5Å; K113-E117 WeakPolarHBondContact O-CB 3.32Å; K113-E117 VanDerWaalsContact O-CG 3.31Å; K113-E117 WeakPolarHBondContact O-CG 3.14Å; K113-E117 PolarHBondContact O-N 2.79Å; E117-G119 PolarHBondContact O-N 2.9Å
118K87.1Confident85.3Confident157 Ų15785.2 Ų85.268%0.68346%0.457SS*.THydrogen-bonded Turntrans-79.2-1172.4-72.2170.9-175.91790113.9K114 A115 I116 E120K114-K118 WeakPolarHBondContact O-CD 3.25Å; K114-K118 WeakPolarHBondContact O-CG 3.47Å; K114-K118 PolarHBondContact O-N 3.24Å; A115-K118 WeakPolarHBondContact O-CB 3.4Å; A115-K118 PolarHBondContact O-N 3.17Å; I116-K118 PolarHBondContact O-N 3.43Å; K118-E120 HydrophobicContact CB-CG 4.28Å
119G83.6Confident85.5Confident64 Ų6486.7 Ų86.766%0.6646%0.461SS*.THydrogen-bonded Turntrans78.116.7-178.100000114.6A115 I116 E117A115-G119 PolarHBondContact O-N 2.88Å; I116-G119 WeakPolarHBondContact O-CA 3.26Å; I116-G119 PolarHBondContact O-N 2.87Å; E117-G119 PolarHBondContact O-N 2.9Å
120E85.6Confident85.6Confident74 Ų7482.4 Ų82.435%0.34644%0.443SS..  trans-75.4131.6178.4-61.1-178.9-148.300110.9H52 A115 K118 L122H52-E120 IonicContact CD2-OE2 3.74Å; H52-E120 IonicContact CE1-OE2 3.16Å; H52-E120 IonicContact NE2-OE2 2.67Å; H52-E120 PolarHBondContact NE2-OE2 3.1Å; A115-E120 HydrophobicContact CB-CB 4.36Å; A115-E120 WeakPolarHBondContact O-CB 3.38Å; A115-E120 PolarHBondContact O-N 3.34Å; K118-E120 HydrophobicContact CB-CG 4.28Å; E120-L122 PolarHBondContact O-N 3.47Å
121T82.3Confident85.9Confident128 Ų12879.2 Ų79.279%0.78543%0.426SS*.  trans-84.2113.1173.253.20000109.6H52H52-T121 PolarHBondContact CE1-O 3.46Å
122L82.8Confident86.2Confident52 Ų5276.9 Ų76.927%0.27242%0.417SS..  trans-78.4150.6178.5-63.9173.5000111.7V51 I112 A115 I116 E120V51-L122 HydrophobicContact CB-CD2 4.25Å; V51-L122 HydrophobicContact CG2-CD2 4.01Å; I112-L122 HydrophobicContact CG2-CD1 3.82Å; A115-L122 HydrophobicContact CB-CD2 4.26Å; I116-L122 HydrophobicContact CD1-CD1 4.11Å; I116-L122 HydrophobicContact CG1-CD1 3.91Å; E120-L122 PolarHBondContact O-N 3.47Å
123P82.9Confident86.6Confident49 Ų4974.3 Ų74.332%0.31840%0.404SS..  trans-56.6145.9172.9-23.432.6000112.1H52 R54 E125H52-P123 HydrophobicContact CB-CG 4.5Å; R54-P123 HydrophobicContact CG-CB 4.4Å; P123-E125 VanDerWaalsContact C-N 3.26Å; P123-E125 PolarHBondContact O-N 3.1Å
124T80.3Confident86.9Confident153 Ų15368.6 Ų68.694%0.93938%0.379SS*.SBendtrans-67.1-27.8176.7450000112.9
125E81Confident87.2Confident132 Ų13263 Ų6362%0.61736%0.356SS*.SBendtrans-68.8140174.3-66.8179.3-179.500110.8R54 P123R54-E125 HydrophobicContact CG-CB 4.37Å; R54-E125 PolarHBondContact NE-O 3.36Å; R54-E125 PolarHBondContact NH2-O 3.37Å; P123-E125 VanDerWaalsContact C-N 3.26Å; P123-E125 PolarHBondContact O-N 3.1Å
126A78.5Confident87.6Confident93 Ų9362.9 Ų62.977%0.76935%0.354SS*.PPolyproline II helixtrans-65.7142.1176.800000110.8R54R54-A126 VanDerWaalsContact CD-O 3.3Å; R54-A126 WeakPolarHBondContact CD-O 3.29Å; R54-A126 PolarHBondContact NE-O 3.46Å
127R84.1Confident88Confident60 Ų6058.1 Ų58.123%0.22633%0.33CS..PPolyproline II helixtrans-65.3145.1171.2-177-177.4170.4179.62.7109.3D48 D129D48-R127 PolarHBondContact O-NH2 3.22Å; D48-R127 IonicContact OD1-NH2 2.72Å; D48-R127 PolarHBondContact OD1-NH2 3.39Å; R127-D129 PolarHBondContact O-N 3.07Å
128F87.9Confident88.2Confident31 Ų3157 Ų5714%0.13633%0.325CS..PPolyproline II helixtrans-61.3120.1170.7-175.4-97.2000110.6H45 I55 I60 S130 C132 I133 F139H45-F128 AromaticContact ND1-CE1 3.98Å; I55-F128 HydrophobicContact CG2-CB 4.42Å; I60-F128 HydrophobicContact CD1-CD2 3.84Å; I60-F128 HydrophobicContact CD1-CE2 3.45Å; I60-F128 VanDerWaalsContact CD1-CE2 3.45Å; I60-F128 HydrophobicContact CD1-CZ 3.89Å; F128-S130 PolarHBondContact O-N 3.22Å; F128-C132 WeakPolarHBondContact CZ-SG 3.01Å; F128-I133 HydrophobicContact CE1-CD1 4.47Å; F128-F139 HydrophobicContact CE2-CD2 4.19Å; F128-F139 AromaticContact CE2-CE2 3.89Å; F128-F139 HydrophobicContact CE2-CE2 3.89Å; F128-F139 HydrophobicContact CE2-CZ 4.39Å; F128-F139 HydrophobicContact CZ-CD2 4.49Å; F128-F139 HydrophobicContact CZ-CE2 4.07Å; F128-F139 HydrophobicContact CZ-CZ 4.11Å
129D89.3Confident88.6Confident55 Ų5550 Ų5029%0.29429%0.294SS..  trans-86105.9175.1-176.9-4.5000109.5R127 N131 C132 S522R127-D129 PolarHBondContact O-N 3.07Å; D129-N131 PolarHBondContact O-N 3.24Å; D129-N131 VanDerWaalsContact O-N 3.14Å; D129-N131 WeakPolarHBondContact OD1-CB 3.28Å; D129-N131 PolarHBondContact OD1-N 3.34Å; D129-C132 WeakPolarHBondContact O-CB 3.35Å; D129-C132 PolarHBondContact O-N 3.45Å; D129-C132 PolarHBondContact O-SG 3.4Å; D129-S522 WeakPolarHBondContact OD2-CB 3.46Å; D129-S522 PolarHBondContact OD2-OG 3.43Å
130S90.8Very high89.2Confident17 Ų1747.1 Ų47.112%0.11926%0.263CS..G310 helixtrans-64.9-15.1-179.362.60000113.7F128 C132 I133F128-S130 PolarHBondContact O-N 3.22Å; S130-C132 PolarHBondContact O-N 2.69Å; S130-I133 PolarHBondContact O-N 3.32Å
131N93.9Very high89.6Confident0 Ų044.9 Ų44.90%026%0.258CS..G310 helixtrans-67.2-13.9172.6-64.9-21.6000112.3R101 S104 D129 I133 T134 L518 S522 L525R101-N131 WeakPolarHBondContact CD-OD1 3.36Å; R101-N131 PolarHBondContact O-ND2 3.05Å; S104-N131 PolarHBondContact OG-OD1 3.14Å; D129-N131 PolarHBondContact O-N 3.24Å; D129-N131 VanDerWaalsContact O-N 3.14Å; D129-N131 WeakPolarHBondContact OD1-CB 3.28Å; D129-N131 PolarHBondContact OD1-N 3.34Å; N131-I133 PolarHBondContact O-N 3.36Å; N131-T134 PolarHBondContact O-OG1 2.73Å; N131-L518 HydrophobicContact CB-CD2 3.82Å; N131-S522 PolarHBondContact ND2-OG 2.99Å; N131-L525 HydrophobicContact CB-CD1 3.99Å
132C93.6Very high90.2Very high8 Ų843.1 Ų43.15%0.05424%0.237CC..G310 helixtrans-65.3-17172.678.50000113.7F128 D129 S130 T134 T137 F139 L525F128-C132 WeakPolarHBondContact CZ-SG 3.01Å; D129-C132 WeakPolarHBondContact O-CB 3.35Å; D129-C132 PolarHBondContact O-N 3.45Å; D129-C132 PolarHBondContact O-SG 3.4Å; S130-C132 PolarHBondContact O-N 2.69Å; C132-T134 PolarHBondContact O-N 3.33Å; C132-T137 WeakPolarHBondContact O-CB 3.35Å; C132-T137 WeakPolarHBondContact O-CG2 3.21Å; C132-T137 PolarHBondContact O-OG1 2.81Å; C132-F139 HydrophobicContact CB-CB 4.08Å; C132-F139 HydrophobicContact CB-CG 4.46Å; C132-L525 HydrophobicContact CB-CD1 4.07Å; C132-L525 HydrophobicContact CB-CD2 3.7Å
133I94.8Very high90.8Very high3 Ų340.8 Ų40.82%0.01522%0.224CC..  trans-79.763.3172.7-49.7165.3000108.8I40 R101 F128 S130 N131 F139 M140I40-I133 HydrophobicContact CG2-CD1 3.99Å; I40-I133 HydrophobicContact CG2-CG1 3.99Å; I40-I133 HydrophobicContact CG2-CG2 3.91Å; R101-I133 PolarHBondContact NH2-O 3.34Å; F128-I133 HydrophobicContact CE1-CD1 4.47Å; S130-I133 PolarHBondContact O-N 3.32Å; N131-I133 PolarHBondContact O-N 3.36Å; I133-F139 HydrophobicContact CG1-CE1 4.33Å; I133-M140 HydrophobicContact CG2-SD 4.29Å
134T94.9Very high91.3Very high3 Ų338.8 Ų38.82%0.01821%0.211CC..SBendtrans-144.2138.1178.7-55.50000107.1N131 C132 T137 M140 L514 V517N131-T134 PolarHBondContact O-OG1 2.73Å; C132-T134 PolarHBondContact O-N 3.33Å; T134-T137 VanDerWaalsContact O-CG2 3.3Å; T134-T137 WeakPolarHBondContact O-CG2 3.48Å; T134-T137 PolarHBondContact O-N 2.71Å; T134-T137 PolarHBondContact O-OG1 3.04Å; T134-T137 VanDerWaalsContact O-OG1 3.13Å; T134-M140 VanDerWaalsContact O-CG 3.31Å; T134-M140 WeakPolarHBondContact O-CG 3Å; T134-L514 HydrophobicContact CG2-CD2 3.49Å; T134-L514 VanDerWaalsContact CG2-CD2 3.49Å; T134-V517 HydrophobicContact CG2-CG2 3.89Å
135P94.8Very high91.9Very high6 Ų634.9 Ų34.94%0.03918%0.182CC..THydrogen-bonded Turntrans-56.2142.5179.626.7-40.5000112V88 H171 L514V88-P135 HydrophobicContact CG2-CB 4.44Å; V88-P135 HydrophobicContact CG2-CG 4.2Å; P135-H171 HydrophobicContact CB-CB 4.17Å; P135-L514 WeakPolarHBondContact O-CG 3.12Å
136G93.5Very high92.5Very high0 Ų029.5 Ų29.50%016%0.157CC..THydrogen-bonded Turntrans92.2-10.1178.900000115F511 R592G136-F511 WeakPolarHBondContact O-CE1 3.39Å; G136-R592 WeakPolarHBondContact O-CD 3.02Å; G136-R592 PolarHBondContact O-NE 2.9Å
137T96.3Very high93.2Very high1 Ų125.1 Ų25.11%0.00612%0.12CC..SBendtrans-72.6160.5173.665.40000111.1C132 T134 F139 M140 A141 L514 L525C132-T137 WeakPolarHBondContact O-CB 3.35Å; C132-T137 WeakPolarHBondContact O-CG2 3.21Å; C132-T137 PolarHBondContact O-OG1 2.81Å; T134-T137 VanDerWaalsContact O-CG2 3.3Å; T134-T137 WeakPolarHBondContact O-CG2 3.48Å; T134-T137 PolarHBondContact O-N 2.71Å; T134-T137 PolarHBondContact O-OG1 3.04Å; T134-T137 VanDerWaalsContact O-OG1 3.13Å; T137-F139 VanDerWaalsContact C-N 3.33Å; T137-M140 WeakPolarHBondContact OG1-CG 3.35Å; T137-M140 PolarHBondContact OG1-N 3.43Å; T137-A141 PolarHBondContact O-N 2.88Å; T137-L514 HydrophobicContact CG2-CD1 4.23Å; T137-L514 HydrophobicContact CG2-CD2 3.6Å; T137-L525 HydrophobicContact CG2-CB 4.33Å
138E94.9Very high93.5Very high112 Ų11224.5 Ų24.552%0.52312%0.119SC..Hα-helixtrans-66.2-37.4175.6-161.7177.6148.600112.8M140 A141 R142 R592E138-M140 PolarHBondContact O-N 3.34Å; E138-A141 PolarHBondContact O-N 2.85Å; E138-R142 PolarHBondContact O-N 3.14Å; E138-R142 IonicContact OE1-NH1 3.81Å; E138-R142 PolarHBondContact OE1-NH1 2.76Å; E138-R592 VanDerWaalsContact CB-NH1 3.28Å
139F95.4Very high93.6Very high9 Ų923.3 Ų23.34%0.03911%0.114CC..Hα-helixtrans-56.7-50.3175.6175.6-94.6000111.6I40 I60 F61 F128 C132 I133 T137 A141 R142 L143I40-F139 HydrophobicContact CG2-CE1 4.18Å; I60-F139 HydrophobicContact CD1-CE2 4.21Å; I60-F139 HydrophobicContact CG2-CZ 4.21Å; F61-F139 HydrophobicContact CE1-CD2 4.32Å; F61-F139 AromaticContact CE1-CE2 3.64Å; F61-F139 HydrophobicContact CE1-CE2 3.64Å; F61-F139 AromaticContact CE1-CZ 3.84Å; F61-F139 HydrophobicContact CE1-CZ 3.84Å; F61-F139 HydrophobicContact CZ-CD2 4.36Å; F61-F139 HydrophobicContact CZ-CE2 4.07Å; F128-F139 HydrophobicContact CE2-CD2 4.19Å; F128-F139 AromaticContact CE2-CE2 3.89Å; F128-F139 HydrophobicContact CE2-CE2 3.89Å; F128-F139 HydrophobicContact CE2-CZ 4.39Å; F128-F139 HydrophobicContact CZ-CD2 4.49Å; F128-F139 HydrophobicContact CZ-CE2 4.07Å; F128-F139 HydrophobicContact CZ-CZ 4.11Å; C132-F139 HydrophobicContact CB-CB 4.08Å; C132-F139 HydrophobicContact CB-CG 4.46Å; I133-F139 HydrophobicContact CG1-CE1 4.33Å; T137-F139 VanDerWaalsContact C-N 3.33Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.47Å; F139-R142 PolarHBondContact O-N 3.07Å; F139-L143 HydrophobicContact CE1-CD2 4.27Å; F139-L143 WeakPolarHBondContact O-CB 3.4Å; F139-L143 PolarHBondContact O-N 2.83Å
140M95.7Very high93.8Very high3 Ų320.9 Ų20.92%0.01510%0.101CC..Hα-helixtrans-66.2-36.2-178.8-68.1-59.3-70.200112.3I40 V85 I133 T134 T137 E138 L143 H144 H171I40-M140 HydrophobicContact CD1-CE 4.32Å; V85-M140 HydrophobicContact CG1-CE 3.3Å; I133-M140 HydrophobicContact CG2-SD 4.29Å; T134-M140 VanDerWaalsContact O-CG 3.31Å; T134-M140 WeakPolarHBondContact O-CG 3Å; T137-M140 WeakPolarHBondContact OG1-CG 3.35Å; T137-M140 PolarHBondContact OG1-N 3.43Å; E138-M140 PolarHBondContact O-N 3.34Å; M140-L143 HydrophobicContact CE-CD2 4.49Å; M140-L143 PolarHBondContact O-N 3.28Å; M140-L143 HydrophobicContact SD-CD2 4.18Å; M140-H144 WeakPolarHBondContact O-CB 3.47Å; M140-H144 PolarHBondContact O-N 3.03Å; M140-H171 VanDerWaalsContact C-CD2 3.5Å; M140-H171 VanDerWaalsContact C-NE2 3.34Å; M140-H171 HydrophobicContact CB-CB 4.5Å; M140-H171 HydrophobicContact CE-CB 3.93Å; M140-H171 PolarHBondContact O-CD2 3.4Å; M140-H171 PolarHBondContact O-NE2 3.43Å
141A94.4Very high93.8Very high27 Ų2720.2 Ų20.222%0.22310%0.096CC..Hα-helixtrans-65.3-41175.700000112.2T137 E138 F139 H144 E145 H171 R592T137-A141 PolarHBondContact O-N 2.88Å; E138-A141 PolarHBondContact O-N 2.85Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.47Å; A141-H144 PolarHBondContact O-N 3.15Å; A141-E145 PolarHBondContact O-N 2.87Å; A141-H171 WeakPolarHBondContact CA-NE2 3.32Å; A141-H171 PolarHBondContact N-NE2 3.49Å; A141-R592 HydrophobicContact CB-CG 4.43Å
142R94.4Very high93.4Very high92 Ų9220.3 Ų20.335%0.34710%0.096SC..Hα-helixtrans-62.8-50.4172.5-72.3-166-67.4-99.52.1110.9D57 F61 E138 F139 H144 E145 H146D57-R142 IonicContact OD2-CZ 3.02Å; D57-R142 IonicContact OD2-NE 2.93Å; D57-R142 PolarHBondContact OD2-NE 3.22Å; D57-R142 IonicContact OD2-NH2 3.39Å; D57-R142 PolarHBondContact OD2-NH2 3.16Å; F61-R142 HydrophobicContact CE2-CB 4.24Å; F61-R142 HydrophobicContact CZ-CB 4.08Å; E138-R142 PolarHBondContact O-N 3.14Å; E138-R142 IonicContact OE1-NH1 3.81Å; E138-R142 PolarHBondContact OE1-NH1 2.76Å; F139-R142 PolarHBondContact O-N 3.07Å; R142-H144 PolarHBondContact O-N 3.44Å; R142-E145 PolarHBondContact O-N 2.94Å; R142-H146 PolarHBondContact O-CD2 2.99Å; R142-H146 PolarHBondContact O-N 3.48Å
143L94.9Very high93.3Very high2 Ų221.7 Ų21.71%0.0110%0.103CC..Hα-helixtrans-55.3-41.3178.917760.8000111.7I40 F61 I64 F139 M140 H146 L147I40-L143 HydrophobicContact CD1-CD2 3.67Å; I40-L143 HydrophobicContact CG1-CD2 3.92Å; I40-L143 HydrophobicContact CG2-CD2 4.31Å; F61-L143 HydrophobicContact CD1-CB 4.46Å; F61-L143 HydrophobicContact CD1-CD1 3.64Å; F61-L143 HydrophobicContact CE1-CB 3.8Å; F61-L143 HydrophobicContact CE1-CD1 3.84Å; F61-L143 HydrophobicContact CE1-CG 4.34Å; F61-L143 HydrophobicContact CZ-CB 4.25Å; I64-L143 HydrophobicContact CD1-CD1 3.76Å; I64-L143 HydrophobicContact CD1-CD2 4.33Å; F139-L143 HydrophobicContact CE1-CD2 4.27Å; F139-L143 WeakPolarHBondContact O-CB 3.4Å; F139-L143 PolarHBondContact O-N 2.83Å; M140-L143 HydrophobicContact CE-CD2 4.49Å; M140-L143 PolarHBondContact O-N 3.28Å; M140-L143 HydrophobicContact SD-CD2 4.18Å; L143-H146 PolarHBondContact O-N 3.2Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.03Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.38Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.12Å
144H93.6Very high93.1Very high8 Ų822.5 Ų22.54%0.03711%0.106CC..Hα-helixtrans-58.7-48.6177.5-178.685.8000112.8M140 A141 R142 L147 K148 F168 E172M140-H144 WeakPolarHBondContact O-CB 3.47Å; M140-H144 PolarHBondContact O-N 3.03Å; A141-H144 PolarHBondContact O-N 3.15Å; R142-H144 PolarHBondContact O-N 3.44Å; H144-L147 PolarHBondContact O-N 3.02Å; H144-K148 VanDerWaalsContact NE2-CD 3.3Å; H144-K148 WeakPolarHBondContact NE2-CD 3.43Å; H144-K148 PolarHBondContact O-N 3.3Å; H144-F168 AromaticContact CE1-CE1 3.42Å; H144-F168 VanDerWaalsContact CE1-CE1 3.42Å; H144-F168 WeakPolarHBondContact CE1-CE1 3.39Å; H144-F168 AromaticContact ND1-CE1 3.39Å; H144-F168 WeakPolarHBondContact ND1-CE1 3.38Å; H144-F168 AromaticContact ND1-CZ 3.58Å; H144-E172 IonicContact NE2-OE2 3.94Å
145E92.8Very high92.8Very high71 Ų7122.4 Ų22.433%0.33211%0.105SC..Hα-helixtrans-67.3-36.8178.4-70.3-57.7136.600112.4A141 R142 K148 Y149A141-E145 PolarHBondContact O-N 2.87Å; R142-E145 PolarHBondContact O-N 2.94Å; E145-K148 PolarHBondContact O-N 2.88Å; E145-K148 IonicContact OE1-NZ 3.92Å; E145-K148 PolarHBondContact OE1-NZ 3.21Å; E145-K148 IonicContact OE2-NZ 3.94Å; E145-K148 PolarHBondContact OE2-NZ 3.16Å; E145-Y149 PolarHBondContact O-N 2.85Å
146H94Very high92.3Very high18 Ų1823.1 Ų23.18%0.08311%0.11CC..Hα-helixtrans-64.8-42.4174-74.5-60.8000112.2F61 F65 R142 L143 Y149 F150 W615F61-H146 AromaticContact CD2-CD2 3.38Å; F61-H146 WeakPolarHBondContact CD2-CD2 3.44Å; F61-H146 AromaticContact CD2-CG 3.98Å; F61-H146 AromaticContact CD2-NE2 3.78Å; F61-H146 AromaticContact CE2-CD2 3.3Å; F61-H146 WeakPolarHBondContact CE2-CD2 3.23Å; F61-H146 AromaticContact CE2-NE2 3.65Å; F65-H146 HydrophobicContact CE1-CB 4.47Å; F65-H146 HydrophobicContact CZ-CB 3.85Å; F65-H146 VanDerWaalsContact CZ-O 3.31Å; F65-H146 WeakPolarHBondContact CZ-O 3.49Å; R142-H146 PolarHBondContact O-CD2 2.99Å; R142-H146 PolarHBondContact O-N 3.48Å; L143-H146 PolarHBondContact O-N 3.2Å; H146-Y149 PolarHBondContact O-N 3.46Å; H146-F150 WeakPolarHBondContact O-CB 3.33Å; H146-F150 PolarHBondContact O-N 3.45Å; H146-W615 AromaticContact CE1-CE3 3.88Å
147L93.9Very high91.9Very high1 Ų127.8 Ų27.81%0.00514%0.139CC..Hα-helixtrans-64.2-40.3175.1-75.3168.8000111.9M36 I64 F65 L68 V85 L143 H144 Y149 F150 V151 F168M36-L147 HydrophobicContact CE-CD1 4.44Å; M36-L147 HydrophobicContact CE-CD2 4.27Å; I64-L147 HydrophobicContact CG2-CD2 4.2Å; F65-L147 HydrophobicContact CD1-CD2 4.31Å; F65-L147 HydrophobicContact CE1-CD2 4Å; F65-L147 HydrophobicContact CE1-CG 4.48Å; L68-L147 HydrophobicContact CD1-CD2 3.77Å; V85-L147 HydrophobicContact CG2-CD1 4.44Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.03Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.38Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.12Å; H144-L147 PolarHBondContact O-N 3.02Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 2.87Å; L147-F150 WeakPolarHBondContact O-CB 3.5Å; L147-F150 PolarHBondContact O-N 3.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.5Å; L147-F168 HydrophobicContact CB-CE1 4.31Å; L147-F168 HydrophobicContact CB-CE2 4.09Å; L147-F168 HydrophobicContact CB-CZ 3.74Å; L147-F168 HydrophobicContact CD1-CE2 3.85Å; L147-F168 HydrophobicContact CD1-CZ 3.89Å; L147-F168 HydrophobicContact CG-CZ 4.48Å
148K89.1Confident91.5Very high47 Ų4729.8 Ų29.820%0.20415%0.15CC..Hα-helixtrans-59.2-45.9173.2-79.216760.9-169.60111.9H144 E145 V151 N152 F168 L599H144-K148 VanDerWaalsContact NE2-CD 3.3Å; H144-K148 WeakPolarHBondContact NE2-CD 3.43Å; H144-K148 PolarHBondContact O-N 3.3Å; E145-K148 PolarHBondContact O-N 2.88Å; E145-K148 IonicContact OE1-NZ 3.92Å; E145-K148 PolarHBondContact OE1-NZ 3.21Å; E145-K148 IonicContact OE2-NZ 3.94Å; E145-K148 PolarHBondContact OE2-NZ 3.16Å; K148-V151 PolarHBondContact O-N 2.91Å; K148-N152 PolarHBondContact O-N 3.26Å; K148-N152 VanDerWaalsContact O-N 3.12Å; K148-N152 PolarHBondContact O-ND2 2.96Å; K148-F168 HydrophobicContact CD-CE1 4.42Å; K148-F168 HydrophobicContact CG-CD1 3.96Å; K148-F168 HydrophobicContact CG-CE1 3.79Å; K148-L599 HydrophobicContact CD-CD1 3.66Å; K148-L599 HydrophobicContact CG-CD1 3.84Å
149Y91.1Very high91Very high7 Ų732.1 Ų32.13%0.02716%0.158CC..Hα-helixtrans-59.7-47.5174.9173.1-92.3000111.4E145 H146 L147 V151 N152 M153 Y611 P614 F619 P620 I622E145-Y149 PolarHBondContact O-N 2.85Å; H146-Y149 PolarHBondContact O-N 3.46Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 2.87Å; Y149-V151 PolarHBondContact O-N 2.81Å; Y149-N152 PolarHBondContact O-N 2.95Å; Y149-M153 HydrophobicContact CE1-CB 4.3Å; Y149-M153 HydrophobicContact CE1-SD 4.29Å; Y149-M153 WeakPolarHBondContact O-CB 3.33Å; Y149-M153 PolarHBondContact O-N 2.86Å; Y149-Y611 HydrophobicContact CD2-CD1 4.01Å; Y149-Y611 HydrophobicContact CD2-CE1 4.12Å; Y149-P614 HydrophobicContact CG-CG 4.34Å; Y149-F619 HydrophobicContact CE1-CB 3.65Å; Y149-F619 HydrophobicContact CE1-CD1 4.36Å; Y149-F619 AromaticContact CE1-CG 3.98Å; Y149-F619 HydrophobicContact CE1-CG 3.98Å; Y149-F619 WeakPolarHBondContact OH-CB 3.28Å; Y149-P620 PolarHBondContact OH-O 2.91Å; Y149-I622 HydrophobicContact CD2-CD1 4.27Å; Y149-I622 HydrophobicContact CE2-CD1 3.94Å; Y149-I622 HydrophobicContact CE2-CG1 3.82Å
150F93.1Very high90.6Very high4 Ų434.7 Ų34.72%0.01818%0.177CC..Hα-helixtrans-57-45.7179.1172.1-100.7000112.4F65 L68 H146 L147 M153 K154 W161F65-F150 HydrophobicContact CB-CD2 3.77Å; F65-F150 HydrophobicContact CB-CE2 3.67Å; F65-F150 HydrophobicContact CB-CZ 4.36Å; F65-F150 HydrophobicContact CD1-CB 3.91Å; F65-F150 HydrophobicContact CD1-CD1 4.3Å; F65-F150 AromaticContact CD1-CD2 3.81Å; F65-F150 HydrophobicContact CD1-CD2 3.81Å; F65-F150 HydrophobicContact CD1-CE2 4.4Å; F65-F150 AromaticContact CD1-CG 3.75Å; F65-F150 HydrophobicContact CD1-CG 3.75Å; F65-F150 AromaticContact CD2-CD2 3.95Å; F65-F150 HydrophobicContact CD2-CD2 3.95Å; F65-F150 HydrophobicContact CE1-CB 3.59Å; F65-F150 HydrophobicContact CE1-CD2 4.35Å; F65-F150 AromaticContact CE1-CG 3.98Å; F65-F150 HydrophobicContact CE1-CG 3.98Å; F65-F150 HydrophobicContact CE2-CB 4.22Å; F65-F150 HydrophobicContact CE2-CD2 4.45Å; F65-F150 HydrophobicContact CG-CB 4.35Å; F65-F150 AromaticContact CG-CD2 3.58Å; F65-F150 HydrophobicContact CG-CD2 3.58Å; F65-F150 HydrophobicContact CG-CE2 4.02Å; F65-F150 HydrophobicContact CG-CG 4.02Å; F65-F150 HydrophobicContact CZ-CB 3.74Å; F65-F150 HydrophobicContact CZ-CG 4.42Å; L68-F150 HydrophobicContact CB-CE1 4.04Å; L68-F150 HydrophobicContact CB-CZ 4.17Å; L68-F150 HydrophobicContact CD1-CD1 4.22Å; L68-F150 HydrophobicContact CD1-CE1 3.85Å; H146-F150 WeakPolarHBondContact O-CB 3.33Å; H146-F150 PolarHBondContact O-N 3.45Å; L147-F150 WeakPolarHBondContact O-CB 3.5Å; L147-F150 PolarHBondContact O-N 3.21Å; F150-M153 HydrophobicContact CD2-CE 3.89Å; F150-M153 HydrophobicContact CE2-CE 4.2Å; F150-M153 PolarHBondContact O-N 3.45Å; F150-K154 HydrophobicContact CD1-CG 4.48Å; F150-K154 HydrophobicContact CD2-CG 4.2Å; F150-K154 HydrophobicContact CE1-CG 4.11Å; F150-K154 HydrophobicContact CE2-CD 4.22Å; F150-K154 HydrophobicContact CE2-CG 3.8Å; F150-K154 HydrophobicContact CZ-CD 4.33Å; F150-K154 HydrophobicContact CZ-CG 3.77Å; F150-K154 WeakPolarHBondContact O-CB 3.27Å; F150-K154 WeakPolarHBondContact O-CG 3.2Å; F150-K154 PolarHBondContact O-N 3.47Å; F150-W161 AromaticContact CE1-CH2 3.96Å; F150-W161 HydrophobicContact CE1-CH2 3.96Å; F150-W161 HydrophobicContact CE1-CZ2 4.48Å; F150-W161 HydrophobicContact CZ-CH2 4.5Å
151V90Very high90.3Very high2 Ų234.6 Ų34.61%0.01218%0.177CC..Hα-helixtrans-60.5-49.1176.6171.70000111.2M83 L147 K148 Y149 M153 K154 I155 I166 C601M83-V151 HydrophobicContact CE-CG2 3.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.5Å; K148-V151 PolarHBondContact O-N 2.91Å; Y149-V151 PolarHBondContact O-N 2.81Å; V151-M153 VanDerWaalsContact C-N 3.3Å; V151-M153 PolarHBondContact O-N 3.18Å; V151-K154 PolarHBondContact O-N 3.19Å; V151-I155 HydrophobicContact CG1-CD1 3.65Å; V151-I155 HydrophobicContact CG1-CG1 4.33Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.29Å; V151-I155 PolarHBondContact O-N 2.8Å; V151-I166 HydrophobicContact CG1-CD1 4.48Å; V151-I166 HydrophobicContact CG1-CG2 3.88Å; V151-I166 HydrophobicContact CG2-CG2 4.48Å; V151-C601 HydrophobicContact CG1-CB 4.21Å
152N86.1Confident89.8Confident3 Ų335.9 Ų35.92%0.01618%0.178CC..Hα-helixtrans-60.8-41.4178.9-79.9-74.4000112.1K148 Y149 S156 Y611 I622 T627K148-N152 PolarHBondContact O-N 3.26Å; K148-N152 VanDerWaalsContact O-N 3.12Å; K148-N152 PolarHBondContact O-ND2 2.96Å; Y149-N152 PolarHBondContact O-N 2.95Å; N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.95Å; N152-S156 VanDerWaalsContact O-N 3.1Å; N152-S156 PolarHBondContact O-OG 3.42Å; N152-Y611 HydrophobicContact CB-CD2 4.43Å; N152-I622 HydrophobicContact CB-CD1 3.91Å; N152-T627 WeakPolarHBondContact OD1-CB 3.43Å; N152-T627 WeakPolarHBondContact OD1-CG2 3.45Å; N152-T627 PolarHBondContact OD1-OG1 3.27Å
153M91Very high89.1Confident37 Ų3734.5 Ų34.518%0.18219%0.193CC..Hα-helixtrans-61.7-49.5176-177.8-155.167.500110.5Y149 F150 V151 S156 T157 I622Y149-M153 HydrophobicContact CE1-CB 4.3Å; Y149-M153 HydrophobicContact CE1-SD 4.29Å; Y149-M153 WeakPolarHBondContact O-CB 3.33Å; Y149-M153 PolarHBondContact O-N 2.86Å; F150-M153 HydrophobicContact CD2-CE 3.89Å; F150-M153 HydrophobicContact CE2-CE 4.2Å; F150-M153 PolarHBondContact O-N 3.45Å; V151-M153 VanDerWaalsContact C-N 3.3Å; V151-M153 PolarHBondContact O-N 3.18Å; M153-S156 PolarHBondContact O-N 3.34Å; M153-T157 WeakPolarHBondContact O-CB 3Å; M153-T157 WeakPolarHBondContact O-CG2 3.32Å; M153-T157 PolarHBondContact O-N 2.87Å; M153-T157 PolarHBondContact O-OG1 3.32Å; M153-I622 HydrophobicContact CB-CD1 3.88Å; M153-I622 HydrophobicContact CB-CG1 4.49Å
154K92Very high88.7Confident20 Ų2034.8 Ų34.89%0.08719%0.194CC..Hα-helixtrans-64.7-45.1-178.7-72.6-64.6-173.2-179.30112.5E69 F150 V151 S156 T157 D158 W161E69-K154 IonicContact OE1-NZ 3.97Å; E69-K154 PolarHBondContact OE1-NZ 2.93Å; E69-K154 IonicContact OE2-NZ 3.36Å; E69-K154 PolarHBondContact OE2-NZ 2.69Å; F150-K154 HydrophobicContact CD1-CG 4.48Å; F150-K154 HydrophobicContact CD2-CG 4.2Å; F150-K154 HydrophobicContact CE1-CG 4.11Å; F150-K154 HydrophobicContact CE2-CD 4.22Å; F150-K154 HydrophobicContact CE2-CG 3.8Å; F150-K154 HydrophobicContact CZ-CD 4.33Å; F150-K154 HydrophobicContact CZ-CG 3.77Å; F150-K154 WeakPolarHBondContact O-CB 3.27Å; F150-K154 WeakPolarHBondContact O-CG 3.2Å; F150-K154 PolarHBondContact O-N 3.47Å; V151-K154 PolarHBondContact O-N 3.19Å; K154-S156 VanDerWaalsContact C-N 3.27Å; K154-S156 PolarHBondContact O-N 2.88Å; K154-T157 PolarHBondContact O-N 3.25Å; K154-D158 WeakPolarHBondContact O-CA 3.3Å; K154-D158 VanDerWaalsContact O-CB 3.32Å; K154-D158 WeakPolarHBondContact O-CB 3.41Å; K154-D158 PolarHBondContact O-N 3.02Å; K154-W161 HydrophobicContact CB-CD2 3.6Å; K154-W161 HydrophobicContact CB-CE3 3.68Å; K154-W161 HydrophobicContact CB-CG 4.04Å; K154-W161 HydrophobicContact CB-CH2 4.34Å; K154-W161 HydrophobicContact CB-CZ2 4.25Å; K154-W161 HydrophobicContact CB-CZ3 4.07Å; K154-W161 HydrophobicContact CG-CD2 4.38Å; K154-W161 HydrophobicContact CG-CH2 4.38Å; K154-W161 HydrophobicContact CG-CZ2 4.16Å
155I88.1Confident88.4Confident0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-56.7-43174.8-68.1171.4000111.4V151 Q162 I166 C601 Y603 T627V151-I155 HydrophobicContact CG1-CD1 3.65Å; V151-I155 HydrophobicContact CG1-CG1 4.33Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.29Å; V151-I155 PolarHBondContact O-N 2.8Å; I155-Q162 VanDerWaalsContact O-CG 3.28Å; I155-Q162 WeakPolarHBondContact O-CG 3.47Å; I155-Q162 PolarHBondContact O-NE2 2.81Å; I155-I166 HydrophobicContact CD1-CD1 3.47Å; I155-I166 VanDerWaalsContact CD1-CD1 3.47Å; I155-I166 HydrophobicContact CG1-CD1 3.32Å; I155-C601 HydrophobicContact CD1-CB 3.59Å; I155-Y603 HydrophobicContact CG2-CD2 4.2Å; I155-T627 HydrophobicContact CD1-CG2 3.87Å
156S84.8Confident88.4Confident21 Ų2133.2 Ų33.215%0.14719%0.19CC..Hα-helixtrans-76.8-28.3-175.2-57.50000113.2N152 M153 K154 C626N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.95Å; N152-S156 VanDerWaalsContact O-N 3.1Å; N152-S156 PolarHBondContact O-OG 3.42Å; M153-S156 PolarHBondContact O-N 3.34Å; K154-S156 VanDerWaalsContact C-N 3.27Å; K154-S156 PolarHBondContact O-N 2.88Å; S156-C626 PolarHBondContact OG-N 3.44Å
157T85.1Confident88.2Confident98 Ų9834.4 Ų34.460%0.60119%0.194SC*.Hα-helixtrans-109.9-28.4-170.759.70000114.5M153 K154M153-T157 WeakPolarHBondContact O-CB 3Å; M153-T157 WeakPolarHBondContact O-CG2 3.32Å; M153-T157 PolarHBondContact O-N 2.87Å; M153-T157 PolarHBondContact O-OG1 3.32Å; K154-T157 PolarHBondContact O-N 3.25Å
158D87Confident88.1Confident44 Ų4434.6 Ų34.624%0.23520%0.195CC..  trans-108.6114.3-174-170.1-27.5000111.2K154 S160 W161K154-D158 WeakPolarHBondContact O-CA 3.3Å; K154-D158 VanDerWaalsContact O-CB 3.32Å; K154-D158 WeakPolarHBondContact O-CB 3.41Å; K154-D158 PolarHBondContact O-N 3.02Å; D158-S160 VanDerWaalsContact CG-OG 3.22Å; D158-S160 PolarHBondContact O-N 3Å; D158-S160 VanDerWaalsContact O-N 3.16Å; D158-S160 WeakPolarHBondContact OD1-CB 3.36Å; D158-S160 PolarHBondContact OD1-N 3.21Å; D158-S160 PolarHBondContact OD1-OG 3.08Å; D158-S160 PolarHBondContact OD2-OG 3.29Å; D158-W161 HydrophobicContact CB-CG 4.34Å; D158-W161 VanDerWaalsContact CG-CD1 3.5Å; D158-W161 PolarHBondContact O-N 3.28Å
159K84.8Confident88.2Confident160 Ų16032.4 Ų32.470%0.69619%0.186SC*.THydrogen-bonded Turntrans-59.4-27.7179.4-69.4-173.6177.7-178.40113.4W161 Q162K159-W161 PolarHBondContact O-N 2.94Å; K159-Q162 PolarHBondContact O-N 3.17Å
160S86.1Confident88.1Confident63 Ų6332.2 Ų32.244%0.44119%0.186SC..THydrogen-bonded Turntrans-69.5-20.517967.90000112.9D158D158-S160 VanDerWaalsContact CG-OG 3.22Å; D158-S160 PolarHBondContact O-N 3Å; D158-S160 VanDerWaalsContact O-N 3.16Å; D158-S160 WeakPolarHBondContact OD1-CB 3.36Å; D158-S160 PolarHBondContact OD1-N 3.21Å; D158-S160 PolarHBondContact OD1-OG 3.08Å; D158-S160 PolarHBondContact OD2-OG 3.29Å
161W89.6Confident88.2Confident2 Ų232.2 Ų32.21%0.00819%0.186CC..THydrogen-bonded Turntrans-89.6-16.6177.1-70.462.4000113F72 F81 F150 K154 D158 K159 G163 V164 I166F72-W161 HydrophobicContact CB-CZ2 4.03Å; F72-W161 AromaticContact CD1-CE2 3.86Å; F72-W161 HydrophobicContact CD1-CZ2 4.25Å; F72-W161 AromaticContact CD1-NE1 3.42Å; F72-W161 HydrophobicContact CD2-CD2 4.45Å; F72-W161 AromaticContact CD2-CE2 3.92Å; F72-W161 HydrophobicContact CD2-CH2 4.28Å; F72-W161 AromaticContact CD2-CZ2 3.82Å; F72-W161 HydrophobicContact CD2-CZ2 3.82Å; F72-W161 AromaticContact CE1-CD1 3.6Å; F72-W161 HydrophobicContact CE1-CD2 4.4Å; F72-W161 HydrophobicContact CE1-CG 4.16Å; F72-W161 AromaticContact CE1-NE1 3.48Å; F72-W161 HydrophobicContact CE2-CD2 4.16Å; F72-W161 HydrophobicContact CE2-CZ2 4.35Å; F72-W161 AromaticContact CG-CE2 3.83Å; F72-W161 AromaticContact CG-CZ2 3.77Å; F72-W161 HydrophobicContact CG-CZ2 3.77Å; F72-W161 AromaticContact CG-NE1 3.86Å; F72-W161 AromaticContact CZ-CD1 3.93Å; F72-W161 HydrophobicContact CZ-CD2 4.13Å; F72-W161 HydrophobicContact CZ-CG 4.02Å; F72-W161 AromaticContact CZ-NE1 3.96Å; F81-W161 AromaticContact CD1-CH2 4Å; F81-W161 HydrophobicContact CD1-CH2 4Å; F81-W161 AromaticContact CD1-CZ3 3.83Å; F81-W161 HydrophobicContact CD1-CZ3 3.83Å; F81-W161 AromaticContact CE1-CH2 3.45Å; F81-W161 HydrophobicContact CE1-CH2 3.45Å; F81-W161 VanDerWaalsContact CE1-CH2 3.45Å; F81-W161 HydrophobicContact CE1-CZ2 4.36Å; F81-W161 AromaticContact CE1-CZ3 3.7Å; F81-W161 HydrophobicContact CE1-CZ3 3.7Å; F81-W161 HydrophobicContact CZ-CH2 4.32Å; F150-W161 AromaticContact CE1-CH2 3.96Å; F150-W161 HydrophobicContact CE1-CH2 3.96Å; F150-W161 HydrophobicContact CE1-CZ2 4.48Å; F150-W161 HydrophobicContact CZ-CH2 4.5Å; K154-W161 HydrophobicContact CB-CD2 3.6Å; K154-W161 HydrophobicContact CB-CE3 3.68Å; K154-W161 HydrophobicContact CB-CG 4.04Å; K154-W161 HydrophobicContact CB-CH2 4.34Å; K154-W161 HydrophobicContact CB-CZ2 4.25Å; K154-W161 HydrophobicContact CB-CZ3 4.07Å; K154-W161 HydrophobicContact CG-CD2 4.38Å; K154-W161 HydrophobicContact CG-CH2 4.38Å; K154-W161 HydrophobicContact CG-CZ2 4.16Å; D158-W161 HydrophobicContact CB-CG 4.34Å; D158-W161 VanDerWaalsContact CG-CD1 3.5Å; D158-W161 PolarHBondContact O-N 3.28Å; K159-W161 PolarHBondContact O-N 2.94Å; W161-G163 VanDerWaalsContact C-N 3.33Å; W161-G163 PolarHBondContact O-N 3.32Å; W161-V164 PolarHBondContact O-N 3.2Å; W161-I166 HydrophobicContact CE3-CD1 3.55Å; W161-I166 HydrophobicContact CE3-CG1 4.32Å; W161-I166 HydrophobicContact CZ3-CD1 4.13Å
162Q85Confident88Confident54 Ų5434.3 Ų34.325%0.25220%0.195SC..THydrogen-bonded Turntrans-75.1-19.3-172.7-65.7178.2-9.200114.2I155 K159 Y603I155-Q162 VanDerWaalsContact O-CG 3.28Å; I155-Q162 WeakPolarHBondContact O-CG 3.47Å; I155-Q162 PolarHBondContact O-NE2 2.81Å; K159-Q162 PolarHBondContact O-N 3.17Å; Q162-Y603 HydrophobicContact CB-CD1 3.89Å; Q162-Y603 HydrophobicContact CB-CD2 4.31Å; Q162-Y603 HydrophobicContact CB-CG 3.73Å; Q162-Y603 HydrophobicContact CG-CD1 4.04Å; Q162-Y603 HydrophobicContact CG-CD2 3.62Å; Q162-Y603 HydrophobicContact CG-CE2 4.15Å; Q162-Y603 HydrophobicContact CG-CG 3.56Å
163G78.3Confident88Confident63 Ų6335.2 Ų35.265%0.64920%0.201SC*.THydrogen-bonded Turntrans-96.97.1178.500000114.8W161W161-G163 VanDerWaalsContact C-N 3.33Å; W161-G163 PolarHBondContact O-N 3.32Å
164V87.1Confident87.9Confident7 Ų735 Ų354%0.04220%0.202CC..SBendtrans-124.3135.5-171.5-1770000109.5F72 P77 F81 W161F72-V164 HydrophobicContact CZ-CG2 4.34Å; P77-V164 HydrophobicContact CG-CG1 4.47Å; P77-V164 VanDerWaalsContact O-CG2 3.23Å; P77-V164 WeakPolarHBondContact O-CG2 3.25Å; F81-V164 HydrophobicContact CB-CG1 3.73Å; W161-V164 PolarHBondContact O-N 3.2Å
165T87.6Confident87.8Confident47 Ų4734.4 Ų34.429%0.28820%0.202SC..EExtended strand (participates in β ladder)trans-81.5125.1170.5-52.90000109.3K79 V80 F81 Y167 M600K79-T165 PolarHBondContact O-N 2.81Å; V80-T165 WeakPolarHBondContact CA-O 3.43Å; F81-T165 PolarHBondContact N-O 3.13Å; T165-Y167 HydrophobicContact CG2-CD2 4.26Å; T165-Y167 HydrophobicContact CG2-CE2 3.57Å; T165-M600 HydrophobicContact CG2-CG 3.84Å; T165-M600 HydrophobicContact CG2-SD 4.14Å
166I91.8Very high88.1Confident0 Ų034.6 Ų34.60%020%0.203CC..EExtended strand (participates in β ladder)trans-107.1124.8-174.6-62.4147.5000109.4F81 M83 V151 I155 W161 M600 C601F81-I166 HydrophobicContact CB-CG1 4.21Å; F81-I166 HydrophobicContact CD1-CG1 4.22Å; F81-I166 HydrophobicContact CD1-CG2 4.18Å; F81-I166 CarbonylContact O-C 3.49Å; F81-I166 VanDerWaalsContact O-CA 3.27Å; F81-I166 WeakPolarHBondContact O-CA 3.35Å; M83-I166 HydrophobicContact CE-CG2 4.14Å; V151-I166 HydrophobicContact CG1-CD1 4.48Å; V151-I166 HydrophobicContact CG1-CG2 3.88Å; V151-I166 HydrophobicContact CG2-CG2 4.48Å; I155-I166 HydrophobicContact CD1-CD1 3.47Å; I155-I166 VanDerWaalsContact CD1-CD1 3.47Å; I155-I166 HydrophobicContact CG1-CD1 3.32Å; W161-I166 HydrophobicContact CE3-CD1 3.55Å; W161-I166 HydrophobicContact CE3-CG1 4.32Å; W161-I166 HydrophobicContact CZ3-CD1 4.13Å; I166-M600 CarbonylContact O-C 3.55Å; I166-M600 WeakPolarHBondContact O-CA 3.47Å; I166-C601 HydrophobicContact CB-CB 4.43Å; I166-C601 PolarHBondContact N-O 2.88Å; I166-C601 PolarHBondContact O-N 3.14Å
167Y90.6Very high88.4Confident42 Ų4233.6 Ų33.617%0.16520%0.196CC..EExtended strand (participates in β ladder)trans-109.4126.5173.3-66.7-93.5000109V80 F81 F82 M83 T165 F184 L599 M600V80-Y167 HydrophobicContact CG1-CD2 3.82Å; V80-Y167 HydrophobicContact CG1-CE2 4.07Å; V80-Y167 HydrophobicContact CG2-CE2 4.4Å; F81-Y167 PolarHBondContact O-N 3.41Å; F82-Y167 CarbonylContact C-O 3.35Å; F82-Y167 WeakPolarHBondContact CA-O 3.27Å; F82-Y167 HydrophobicContact CD2-CD2 4.27Å; F82-Y167 AromaticContact CD2-CG 3.88Å; F82-Y167 HydrophobicContact CD2-CG 3.88Å; F82-Y167 HydrophobicContact CE2-CG 4.18Å; M83-Y167 PolarHBondContact N-O 3.28Å; T165-Y167 HydrophobicContact CG2-CD2 4.26Å; T165-Y167 HydrophobicContact CG2-CE2 3.57Å; Y167-F184 HydrophobicContact CD1-CE2 4.3Å; Y167-F184 HydrophobicContact CD2-CE2 4.19Å; Y167-F184 HydrophobicContact CD2-CZ 4.24Å; Y167-F184 HydrophobicContact CE1-CE2 4Å; Y167-F184 AromaticContact CE2-CE2 3.87Å; Y167-F184 HydrophobicContact CE2-CE2 3.87Å; Y167-F184 AromaticContact CE2-CZ 3.91Å; Y167-F184 HydrophobicContact CE2-CZ 3.91Å; Y167-F184 HydrophobicContact CG-CE2 4.38Å; Y167-F184 AromaticContact CZ-CE2 3.77Å; Y167-L599 CarbonylContact C-O 3.48Å; Y167-L599 WeakPolarHBondContact CA-O 2.95Å; Y167-M600 HydrophobicContact CD1-CB 4.12Å; Y167-M600 HydrophobicContact CD1-CG 4.02Å; Y167-M600 HydrophobicContact CE1-CB 4Å; Y167-M600 HydrophobicContact CE1-CG 3.58Å; Y167-M600 HydrophobicContact CE1-SD 3.57Å; Y167-M600 VanDerWaalsContact CE1-SD 3.57Å; Y167-M600 PolarHBondContact OH-SD 3.14Å; Y167-M600 VanDerWaalsContact OH-SD 3.36Å
168F91.4Very high88.7Confident5 Ų529.4 Ų29.42%0.02217%0.169CC..EExtended strand (participates in β ladder)trans-119.1105.1175.1176.7-127.6000109.4M83 V85 H144 L147 K148 C598 L599M83-F168 HydrophobicContact CB-CD2 4.18Å; M83-F168 HydrophobicContact CE-CB 4.12Å; M83-F168 HydrophobicContact CE-CD2 4Å; M83-F168 HydrophobicContact CE-CG 4.31Å; V85-F168 HydrophobicContact CG2-CE2 4.11Å; H144-F168 AromaticContact CE1-CE1 3.42Å; H144-F168 VanDerWaalsContact CE1-CE1 3.42Å; H144-F168 WeakPolarHBondContact CE1-CE1 3.39Å; H144-F168 AromaticContact ND1-CE1 3.39Å; H144-F168 WeakPolarHBondContact ND1-CE1 3.38Å; H144-F168 AromaticContact ND1-CZ 3.58Å; L147-F168 HydrophobicContact CB-CE1 4.31Å; L147-F168 HydrophobicContact CB-CE2 4.09Å; L147-F168 HydrophobicContact CB-CZ 3.74Å; L147-F168 HydrophobicContact CD1-CE2 3.85Å; L147-F168 HydrophobicContact CD1-CZ 3.89Å; L147-F168 HydrophobicContact CG-CZ 4.48Å; K148-F168 HydrophobicContact CD-CE1 4.42Å; K148-F168 HydrophobicContact CG-CD1 3.96Å; K148-F168 HydrophobicContact CG-CE1 3.79Å; F168-C598 VanDerWaalsContact C-SG 3.57Å; F168-C598 PolarHBondContact O-SG 2.72Å; F168-L599 HydrophobicContact CB-CB 4.42Å; F168-L599 HydrophobicContact CD1-CD1 4.14Å; F168-L599 PolarHBondContact N-O 3.18Å; F168-L599 PolarHBondContact O-N 3.4Å
169S91.6Very high89Confident2 Ų227.7 Ų27.71%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-99.896.3172.5-172.30000109.2M83 V85 K180M83-S169 PolarHBondContact O-N 2.79Å; V85-S169 PolarHBondContact N-O 2.85Å; S169-K180 WeakPolarHBondContact OG-CD 3.2Å
170G90.1Very high89.3Confident2 Ų220.6 Ų20.62%0.02113%0.129CC..  trans-76.3-176.9-178.500000114.1E172 T173 K180G170-E172 PolarHBondContact O-N 3.44Å; G170-E172 VanDerWaalsContact O-N 3.15Å; G170-T173 PolarHBondContact O-N 2.96Å; G170-K180 PolarHBondContact O-NZ 2.94Å
171H93.2Very high89.7Confident4 Ų417.6 Ų17.62%0.01911%0.108CC..THydrogen-bonded Turntrans-65.5-14177.177.674.9000113.8V85 D86 G87 P135 M140 A141V85-H171 HydrophobicContact CG1-CB 4.11Å; D86-H171 WeakPolarHBondContact O-CA 3.44Å; D86-H171 WeakPolarHBondContact O-CB 3.38Å; G87-H171 WeakPolarHBondContact CA-O 3.28Å; P135-H171 HydrophobicContact CB-CB 4.17Å; M140-H171 VanDerWaalsContact C-CD2 3.5Å; M140-H171 VanDerWaalsContact C-NE2 3.34Å; M140-H171 HydrophobicContact CB-CB 4.5Å; M140-H171 HydrophobicContact CE-CB 3.93Å; M140-H171 PolarHBondContact O-CD2 3.4Å; M140-H171 PolarHBondContact O-NE2 3.43Å; A141-H171 WeakPolarHBondContact CA-NE2 3.32Å; A141-H171 PolarHBondContact N-NE2 3.49Å
172E86.6Confident89.9Confident46 Ų4617.7 Ų17.722%0.21511%0.108CC..THydrogen-bonded Turntrans-75.9-28.4178.8-61.2-173.3151.100112.1H144 G170 H595 S596H144-E172 IonicContact NE2-OE2 3.94Å; G170-E172 PolarHBondContact O-N 3.44Å; G170-E172 VanDerWaalsContact O-N 3.15Å; E172-H595 VanDerWaalsContact O-CA 3.31Å; E172-H595 WeakPolarHBondContact O-CA 3.41Å; E172-H595 PolarHBondContact O-ND1 2.9Å; E172-S596 WeakPolarHBondContact CB-OG 3.4Å; E172-S596 PolarHBondContact O-N 3.11Å; E172-S596 WeakPolarHBondContact OE2-CB 3.37Å; E172-S596 PolarHBondContact OE2-OG 2.76Å
173T87.2Confident90Very high23 Ų2320.9 Ų20.914%0.14112%0.124CC..SBendtrans-78.1127.3173.6-50.70000109.2G87 G170 K180 S596G87-T173 VanDerWaalsContact CA-O 3.32Å; G87-T173 WeakPolarHBondContact CA-O 3.35Å; G170-T173 PolarHBondContact O-N 2.96Å; T173-K180 WeakPolarHBondContact O-CE 3.33Å; T173-K180 PolarHBondContact O-NZ 3.25Å; T173-S596 VanDerWaalsContact CA-O 3.26Å; T173-S596 WeakPolarHBondContact CA-O 3.32Å; T173-S596 WeakPolarHBondContact CB-O 3.41Å; T173-S596 PolarHBondContact OG1-O 2.88Å
174P88.6Confident90.7Very high32 Ų3218.8 Ų18.821%0.20810%0.096CC..SBendtrans-59.9155.6175.3-23.133.3000113.3K180 W477 P507 H595P174-K180 WeakPolarHBondContact O-CE 3.43Å; P174-W477 HydrophobicContact CB-CH2 3.65Å; P174-W477 HydrophobicContact CB-CZ2 4.25Å; P174-W477 HydrophobicContact CB-CZ3 4.22Å; P174-P507 HydrophobicContact CB-CB 4.06Å; P174-P507 HydrophobicContact CB-CG 4.16Å; P174-P507 HydrophobicContact CG-CB 4.29Å; P174-P507 HydrophobicContact CG-CG 3.97Å; P174-H595 HydrophobicContact CG-CB 4.23Å
175G89.6Confident90.9Very high7 Ų718.5 Ų18.57%0.07210%0.095CC..SBendtrans103.2157.9177.500000114.1G87 V88 K180G87-G175 WeakPolarHBondContact CA-O 3.3Å; G87-G175 PolarHBondContact N-O 2.82Å; V88-G175 PolarHBondContact O-N 3.38Å; G175-K180 WeakPolarHBondContact O-CE 3.3Å
176E93.4Very high91Very high5 Ų519.1 Ų19.12%0.0239%0.092CC..  trans-72148.2171.7-65.2174.4-89.300110.3A89 K93 E178 H179 K180 Y469A89-E176 HydrophobicContact CB-CG 4.19Å; K93-E176 WeakPolarHBondContact CD-OE2 3.5Å; K93-E176 WeakPolarHBondContact CE-OE2 3.48Å; K93-E176 WeakPolarHBondContact CG-OE2 3.36Å; K93-E176 IonicContact NZ-OE2 2.65Å; K93-E176 PolarHBondContact NZ-OE2 2.92Å; E176-E178 VanDerWaalsContact C-N 3.34Å; E176-E178 HydrophobicContact CB-CG 4.44Å; E176-E178 PolarHBondContact O-N 2.62Å; E176-H179 PolarHBondContact O-N 3.43Å; E176-H179 VanDerWaalsContact O-N 3.11Å; E176-K180 WeakPolarHBondContact O-CG 3.39Å; E176-K180 PolarHBondContact O-N 3.02Å; E176-Y469 WeakPolarHBondContact OE1-CE1 3.23Å; E176-Y469 PolarHBondContact OE1-OH 2.98Å
177G91.3Very high90.8Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-55.2-47.9-176.500000112.5A84 D86 H179 K180 I181A84-G177 WeakPolarHBondContact CB-O 3.3Å; D86-G177 PolarHBondContact OD1-N 3.33Å; G177-H179 VanDerWaalsContact C-N 3.33Å; G177-H179 PolarHBondContact O-N 2.82Å; G177-K180 PolarHBondContact O-N 3.43Å; G177-I181 WeakPolarHBondContact O-CD1 3.36Å; G177-I181 WeakPolarHBondContact O-CG1 3.5Å; G177-I181 PolarHBondContact O-N 3.4Å; G177-I181 VanDerWaalsContact O-N 3.07Å
178E92.9Very high90.6Very high10 Ų1022.3 Ų22.35%0.04712%0.115CC..Hα-helixtrans-61.5-37.2177.467.3-174.6-175.700113E176 I181 M182 L209 L212E176-E178 VanDerWaalsContact C-N 3.34Å; E176-E178 HydrophobicContact CB-CG 4.44Å; E176-E178 PolarHBondContact O-N 2.62Å; E178-I181 PolarHBondContact O-N 2.99Å; E178-M182 WeakPolarHBondContact O-CG 3.27Å; E178-M182 PolarHBondContact O-N 2.92Å; E178-L209 HydrophobicContact CB-CD2 3.59Å; E178-L209 VanDerWaalsContact OE2-CD2 3.26Å; E178-L209 WeakPolarHBondContact OE2-CD2 3.32Å; E178-L212 HydrophobicContact CB-CD1 3.79Å; E178-L212 HydrophobicContact CG-CD1 3.7Å
179H92.1Very high90.5Very high7 Ų725.6 Ų25.63%0.03213%0.129CC..Hα-helixtrans-77.9-32.7179.3-82.1-90.1000112.8E176 G177 I181 M182 E183 Y469 Y470E176-H179 PolarHBondContact O-N 3.43Å; E176-H179 VanDerWaalsContact O-N 3.11Å; G177-H179 VanDerWaalsContact C-N 3.33Å; G177-H179 PolarHBondContact O-N 2.82Å; H179-I181 VanDerWaalsContact C-N 3.33Å; H179-M182 PolarHBondContact O-N 2.96Å; H179-E183 WeakPolarHBondContact O-CB 3.07Å; H179-E183 PolarHBondContact O-N 3.36Å; H179-Y469 HydrophobicContact CB-CE2 4.06Å; H179-Y469 AromaticContact CD2-CE1 3.33Å; H179-Y469 WeakPolarHBondContact CD2-CE1 3.26Å; H179-Y469 AromaticContact CD2-CZ 3.35Å; H179-Y469 PolarHBondContact CD2-OH 3.34Å; H179-Y469 AromaticContact CE1-CD1 3.22Å; H179-Y469 WeakPolarHBondContact CE1-CD1 3.38Å; H179-Y469 AromaticContact CE1-CD2 3.9Å; H179-Y469 AromaticContact CE1-CE1 3.27Å; H179-Y469 WeakPolarHBondContact CE1-CE1 3.34Å; H179-Y469 AromaticContact CE1-CE2 3.91Å; H179-Y469 AromaticContact CE1-CG 3.57Å; H179-Y469 AromaticContact CE1-CZ 3.64Å; H179-Y469 PolarHBondContact CE1-O 3.03Å; H179-Y469 AromaticContact CG-CE1 3.69Å; H179-Y469 AromaticContact CG-CE2 3.62Å; H179-Y469 AromaticContact CG-CZ 3.29Å; H179-Y469 AromaticContact ND1-CD1 3.81Å; H179-Y469 AromaticContact ND1-CD2 3.68Å; H179-Y469 AromaticContact ND1-CE1 3.64Å; H179-Y469 AromaticContact ND1-CE2 3.46Å; H179-Y469 WeakPolarHBondContact ND1-CE2 3.45Å; H179-Y469 AromaticContact ND1-CG 3.84Å; H179-Y469 AromaticContact ND1-CZ 3.47Å; H179-Y469 PolarHBondContact ND1-O 2.92Å; H179-Y469 VanDerWaalsContact ND1-O 3.17Å; H179-Y469 AromaticContact NE2-CD1 3.42Å; H179-Y469 WeakPolarHBondContact NE2-CD1 3.4Å; H179-Y469 AromaticContact NE2-CE1 3.07Å; H179-Y469 WeakPolarHBondContact NE2-CE1 3.46Å; H179-Y469 AromaticContact NE2-CZ 3.59Å; H179-Y470 AromaticContact CE1-CD2 3.73Å; H179-Y470 AromaticContact CE1-CE2 3.89Å; H179-Y470 AromaticContact NE2-CE2 3.85Å
180K90.6Very high90.2Very high12 Ų1229.5 Ų29.55%0.05216%0.161CC..Hα-helixtrans-61.1-43169.8-71.2162.1166.2-175.10111.4V85 S169 G170 T173 P174 G175 E176 G177 E183 F184V85-K180 PolarHBondContact O-NZ 3.33Å; S169-K180 WeakPolarHBondContact OG-CD 3.2Å; G170-K180 PolarHBondContact O-NZ 2.94Å; T173-K180 WeakPolarHBondContact O-CE 3.33Å; T173-K180 PolarHBondContact O-NZ 3.25Å; P174-K180 WeakPolarHBondContact O-CE 3.43Å; G175-K180 WeakPolarHBondContact O-CE 3.3Å; E176-K180 WeakPolarHBondContact O-CG 3.39Å; E176-K180 PolarHBondContact O-N 3.02Å; G177-K180 PolarHBondContact O-N 3.43Å; K180-E183 PolarHBondContact O-N 2.9Å; K180-F184 PolarHBondContact O-N 2.96Å
181I94.8Very high89.9Confident0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-61.4-46.4175-72160.6000110.4Y33 F82 A84 G177 E178 H179 E183 F184 I185 L202Y33-I181 HydrophobicContact CD1-CG2 3.64Å; Y33-I181 HydrophobicContact CD2-CG2 4.47Å; Y33-I181 HydrophobicContact CE1-CG2 4.41Å; Y33-I181 HydrophobicContact CG-CG2 3.69Å; F82-I181 HydrophobicContact CD1-CG1 3.7Å; F82-I181 HydrophobicContact CE1-CG1 3.87Å; A84-I181 HydrophobicContact CB-CD1 3.71Å; A84-I181 HydrophobicContact CB-CG1 3.75Å; G177-I181 WeakPolarHBondContact O-CD1 3.36Å; G177-I181 WeakPolarHBondContact O-CG1 3.5Å; G177-I181 PolarHBondContact O-N 3.4Å; G177-I181 VanDerWaalsContact O-N 3.07Å; E178-I181 PolarHBondContact O-N 2.99Å; H179-I181 VanDerWaalsContact C-N 3.33Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.6Å; I181-F184 WeakPolarHBondContact O-CB 3.41Å; I181-F184 PolarHBondContact O-N 3.11Å; I181-I185 HydrophobicContact CG2-CD1 3.81Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 2.91Å; I181-L202 HydrophobicContact CD1-CD1 3.82Å; I181-L202 HydrophobicContact CG2-CD1 4.27Å
182M93.5Very high89.4Confident3 Ų339.4 Ų39.42%0.01522%0.218CC..Hα-helixtrans-68.2-33.3-179.5-68-70.3160.100112.3E178 H179 I185 R186 L202 L212 F221E178-M182 WeakPolarHBondContact O-CG 3.27Å; E178-M182 PolarHBondContact O-N 2.92Å; H179-M182 PolarHBondContact O-N 2.96Å; M182-I185 HydrophobicContact CE-CD1 4.26Å; M182-I185 PolarHBondContact O-N 2.85Å; M182-I185 HydrophobicContact SD-CD1 4.07Å; M182-R186 WeakPolarHBondContact O-CB 3.39Å; M182-R186 VanDerWaalsContact O-CG 3.32Å; M182-R186 WeakPolarHBondContact O-CG 3.24Å; M182-R186 PolarHBondContact O-N 3.46Å; M182-L202 HydrophobicContact CE-CD2 3.65Å; M182-L212 HydrophobicContact CE-CB 3.54Å; M182-L212 HydrophobicContact CG-CB 3.94Å; M182-L212 HydrophobicContact CG-CD1 4.39Å; M182-L212 HydrophobicContact CG-CD2 3.97Å; M182-L212 HydrophobicContact CG-CG 4.33Å; M182-L212 HydrophobicContact SD-CB 3.91Å; M182-F221 HydrophobicContact CE-CE2 4.46Å; M182-F221 HydrophobicContact CE-CZ 3.95Å
183E88.2Confident89.2Confident122 Ų12241.4 Ų41.457%0.5723%0.23SC*.Hα-helixtrans-62.7-44.6171.1-173.7170.1-164.200112H179 K180 I181 R186 S187H179-E183 WeakPolarHBondContact O-CB 3.07Å; H179-E183 PolarHBondContact O-N 3.36Å; K180-E183 PolarHBondContact O-N 2.9Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.6Å; E183-R186 VanDerWaalsContact CA-NH2 3.31Å; E183-R186 PolarHBondContact O-N 3.29Å; E183-S187 PolarHBondContact O-N 3.49Å; E183-S187 PolarHBondContact O-OG 2.8Å
184F91.7Very high89Confident18 Ų1842.5 Ų42.58%0.07923%0.234CC..Hα-helixtrans-60.3-45.1172.6174.1-93.3000112.2Y33 V80 F82 Y167 K180 I181 R186 S187 E188Y33-F184 AromaticContact CE1-CD1 3.73Å; Y33-F184 HydrophobicContact CE1-CD1 3.73Å; Y33-F184 AromaticContact CE1-CE1 3.83Å; Y33-F184 HydrophobicContact CE1-CE1 3.83Å; V80-F184 HydrophobicContact CG1-CE1 4.08Å; V80-F184 HydrophobicContact CG1-CZ 4.04Å; V80-F184 HydrophobicContact CG2-CZ 4.39Å; F82-F184 HydrophobicContact CD2-CB 4.22Å; F82-F184 AromaticContact CD2-CD1 3.93Å; F82-F184 HydrophobicContact CD2-CD1 3.93Å; F82-F184 HydrophobicContact CD2-CD2 4.01Å; F82-F184 HydrophobicContact CD2-CE1 4.3Å; F82-F184 HydrophobicContact CD2-CE2 4.37Å; F82-F184 AromaticContact CD2-CG 3.76Å; F82-F184 HydrophobicContact CD2-CG 3.76Å; F82-F184 HydrophobicContact CE2-CB 3.67Å; F82-F184 HydrophobicContact CE2-CD1 4.22Å; F82-F184 AromaticContact CE2-CD2 3.72Å; F82-F184 HydrophobicContact CE2-CD2 3.72Å; F82-F184 HydrophobicContact CE2-CE2 4.43Å; F82-F184 AromaticContact CE2-CG 3.59Å; F82-F184 HydrophobicContact CE2-CG 3.59Å; F82-F184 HydrophobicContact CZ-CB 4.25Å; Y167-F184 HydrophobicContact CD1-CE2 4.3Å; Y167-F184 HydrophobicContact CD2-CE2 4.19Å; Y167-F184 HydrophobicContact CD2-CZ 4.24Å; Y167-F184 HydrophobicContact CE1-CE2 4Å; Y167-F184 AromaticContact CE2-CE2 3.87Å; Y167-F184 HydrophobicContact CE2-CE2 3.87Å; Y167-F184 AromaticContact CE2-CZ 3.91Å; Y167-F184 HydrophobicContact CE2-CZ 3.91Å; Y167-F184 HydrophobicContact CG-CE2 4.38Å; Y167-F184 AromaticContact CZ-CE2 3.77Å; K180-F184 PolarHBondContact O-N 2.96Å; I181-F184 WeakPolarHBondContact O-CB 3.41Å; I181-F184 PolarHBondContact O-N 3.11Å; F184-R186 VanDerWaalsContact C-N 3.35Å; F184-R186 PolarHBondContact O-N 3.16Å; F184-S187 PolarHBondContact O-N 2.79Å; F184-S187 PolarHBondContact O-OG 3.26Å; F184-E188 HydrophobicContact CD1-CG 4.23Å; F184-E188 HydrophobicContact CD2-CG 4.41Å; F184-E188 HydrophobicContact CE1-CG 3.75Å; F184-E188 HydrophobicContact CE2-CG 3.95Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 WeakPolarHBondContact O-CG 3.4Å; F184-E188 PolarHBondContact O-N 3.27Å
185I92.8Very high88.7Confident1 Ų144.2 Ų44.21%0.00524%0.241CC..Hα-helixtrans-61.4-45.7177.9-67.6164.6000110.2Y33 I181 M182 S187 E188 K189 F221Y33-I185 HydrophobicContact CD2-CD1 4.45Å; Y33-I185 HydrophobicContact CE1-CD1 4.29Å; Y33-I185 HydrophobicContact CE1-CG1 3.99Å; Y33-I185 HydrophobicContact CE2-CD1 4.07Å; Y33-I185 HydrophobicContact CE2-CG1 4.36Å; I181-I185 HydrophobicContact CG2-CD1 3.81Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 2.91Å; M182-I185 HydrophobicContact CE-CD1 4.26Å; M182-I185 PolarHBondContact O-N 2.85Å; M182-I185 HydrophobicContact SD-CD1 4.07Å; I185-S187 VanDerWaalsContact C-N 3.35Å; I185-S187 PolarHBondContact O-N 3.36Å; I185-E188 PolarHBondContact O-N 3.42Å; I185-K189 HydrophobicContact CG2-CD 4.16Å; I185-K189 HydrophobicContact CG2-CG 4.34Å; I185-K189 WeakPolarHBondContact O-CB 3.4Å; I185-K189 VanDerWaalsContact O-CG 3.24Å; I185-K189 WeakPolarHBondContact O-CG 3.28Å; I185-K189 PolarHBondContact O-N 2.76Å; I185-F221 HydrophobicContact CD1-CE2 3.98Å; I185-F221 HydrophobicContact CD1-CZ 4.24Å
186R89.5Confident88.5Confident61 Ų6147.9 Ų47.923%0.2326%0.263CS..Hα-helixtrans-61.3-41.2177.3-72.9-173.4-57.6-95.2-2.9112.4M182 E183 F184 K189 A190 Y470 Y471M182-R186 WeakPolarHBondContact O-CB 3.39Å; M182-R186 VanDerWaalsContact O-CG 3.32Å; M182-R186 WeakPolarHBondContact O-CG 3.24Å; M182-R186 PolarHBondContact O-N 3.46Å; E183-R186 VanDerWaalsContact CA-NH2 3.31Å; E183-R186 PolarHBondContact O-N 3.29Å; F184-R186 VanDerWaalsContact C-N 3.35Å; F184-R186 PolarHBondContact O-N 3.16Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.34Å; R186-Y470 PolarHBondContact NH1-O 3.04Å; R186-Y471 WeakPolarHBondContact CD-O 3.38Å
187S87.1Confident88.1Confident59 Ų5952 Ų5241%0.41329%0.286SS..Hα-helixtrans-66.9-41.4178.869.60000111.7E183 F184 I185 A190E183-S187 PolarHBondContact O-N 3.49Å; E183-S187 PolarHBondContact O-OG 2.8Å; F184-S187 PolarHBondContact O-N 2.79Å; F184-S187 PolarHBondContact O-OG 3.26Å; I185-S187 VanDerWaalsContact C-N 3.35Å; I185-S187 PolarHBondContact O-N 3.36Å; S187-A190 PolarHBondContact O-N 3.27Å
188E87.2Confident87.9Confident49 Ų4952.4 Ų52.423%0.22929%0.288CS..Hα-helixtrans-63.4-41.2174.1-70.1-53.3118.500111.9F184 I185 A190 K191 H194F184-E188 HydrophobicContact CD1-CG 4.23Å; F184-E188 HydrophobicContact CD2-CG 4.41Å; F184-E188 HydrophobicContact CE1-CG 3.75Å; F184-E188 HydrophobicContact CE2-CG 3.95Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 WeakPolarHBondContact O-CG 3.4Å; F184-E188 PolarHBondContact O-N 3.27Å; I185-E188 PolarHBondContact O-N 3.42Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 3.3Å; E188-K191 WeakPolarHBondContact O-CB 3.27Å; E188-K191 PolarHBondContact O-N 2.96Å; E188-K191 VanDerWaalsContact OE1-CE 3.27Å; E188-K191 WeakPolarHBondContact OE1-CE 3.48Å; E188-K191 IonicContact OE1-NZ 2.61Å; E188-K191 PolarHBondContact OE1-NZ 3.19Å; E188-K191 IonicContact OE2-NZ 2.94Å; E188-K191 PolarHBondContact OE2-NZ 3.42Å; E188-H194 WeakPolarHBondContact O-CB 3.34Å
189K88.2Confident87.9Confident75 Ų7554.2 Ų54.233%0.32630%0.295SS..Hα-helixtrans-65.3-31.3177-76.5-170.179.1-170.80114.1I185 R186 K191 S216 E218I185-K189 HydrophobicContact CG2-CD 4.16Å; I185-K189 HydrophobicContact CG2-CG 4.34Å; I185-K189 WeakPolarHBondContact O-CB 3.4Å; I185-K189 VanDerWaalsContact O-CG 3.24Å; I185-K189 WeakPolarHBondContact O-CG 3.28Å; I185-K189 PolarHBondContact O-N 2.76Å; R186-K189 PolarHBondContact O-N 3.22Å; K189-K191 PolarHBondContact O-N 2.62Å; K189-S216 PolarHBondContact NZ-O 2.94Å; K189-E218 HydrophobicContact CD-CG 4.21Å; K189-E218 WeakPolarHBondContact CD-OE1 3.22Å; K189-E218 WeakPolarHBondContact CE-OE1 3.23Å; K189-E218 WeakPolarHBondContact CG-OE1 3.48Å; K189-E218 IonicContact NZ-OE1 2.83Å
190A85.3Confident88.1Confident84 Ų8454 Ų5469%0.69429%0.294SS*.Hα-helixtrans-71.5-15.817900000112.4R186 S187 E188R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.34Å; S187-A190 PolarHBondContact O-N 3.27Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 3.3Å
191K84.4Confident88.4Confident75 Ų7553.5 Ų53.533%0.32629%0.291SS..SBendtrans-69.5139.6177.7-61.4179.5-178.3171.10110.9E188 K189 D193 H194E188-K191 WeakPolarHBondContact O-CB 3.27Å; E188-K191 PolarHBondContact O-N 2.96Å; E188-K191 VanDerWaalsContact OE1-CE 3.27Å; E188-K191 WeakPolarHBondContact OE1-CE 3.48Å; E188-K191 IonicContact OE1-NZ 2.61Å; E188-K191 PolarHBondContact OE1-NZ 3.19Å; E188-K191 IonicContact OE2-NZ 2.94Å; E188-K191 PolarHBondContact OE2-NZ 3.42Å; K189-K191 PolarHBondContact O-N 2.62Å; K191-D193 WeakPolarHBondContact CB-OD1 3.25Å; K191-D193 PolarHBondContact O-N 3.41Å; K191-H194 WeakPolarHBondContact O-CB 3.41Å; K191-H194 PolarHBondContact O-N 3.21Å
192P82.8Confident88.6Confident139 Ų13953.5 Ų53.590%0.90329%0.291SS*.THydrogen-bonded Turntrans-67.9-19.1-175.627.7-35.3000114.1
193D82.9Confident88.7Confident88 Ų8853.5 Ų53.547%0.47129%0.291SS..THydrogen-bonded Turntrans-1017.3-179.165.5-41.8000113.5K191 D195 P635K191-D193 WeakPolarHBondContact CB-OD1 3.25Å; K191-D193 PolarHBondContact O-N 3.41Å; D193-D195 PolarHBondContact O-N 2.87Å; D193-P635 WeakPolarHBondContact OD2-CB 3.38Å; D193-P635 WeakPolarHBondContact OD2-CG 3.3Å
194H82.9Confident88.8Confident46 Ų4647.9 Ų47.921%0.21327%0.266CS..  trans-56.3128.5176.5176.179.4000111.5E188 K191 P196 E218E188-H194 WeakPolarHBondContact O-CB 3.34Å; K191-H194 WeakPolarHBondContact O-CB 3.41Å; K191-H194 PolarHBondContact O-N 3.21Å; H194-P196 WeakPolarHBondContact O-CD 3.36Å; H194-E218 IonicContact CE1-OE1 3.86Å; H194-E218 PolarHBondContact CE1-OE1 2.83Å; H194-E218 IonicContact NE2-OE1 3.25Å; H194-E218 PolarHBondContact NE2-OE1 2.97Å; H194-E218 VanDerWaalsContact NE2-OE1 3.14Å
195D82Confident88.4Confident68 Ų6850.6 Ų50.636%0.36428%0.281SS..  trans-82.6112.4174.7177.48.9000109.7D193 N197 T198D193-D195 PolarHBondContact O-N 2.87Å; D195-N197 PolarHBondContact O-N 2.84Å; D195-N197 PolarHBondContact OD1-N 2.83Å; D195-N197 PolarHBondContact OD1-ND2 3.35Å; D195-T198 WeakPolarHBondContact O-CB 3.45Å; D195-T198 PolarHBondContact O-N 2.63Å; D195-T198 PolarHBondContact O-OG1 2.91Å
196P84.3Confident88Confident83 Ų8351.6 Ų51.654%0.53929%0.286SS..THydrogen-bonded Turntrans-67.6-5.6-178.330.4-37.3000113.7H194H194-P196 WeakPolarHBondContact O-CD 3.36Å
197N85.6Confident87.6Confident92 Ų9249 Ų4949%0.49228%0.278SS..THydrogen-bonded Turntrans-103.215.1174-50.3-81000112.4D195 R199D195-N197 PolarHBondContact O-N 2.84Å; D195-N197 PolarHBondContact OD1-N 2.83Å; D195-N197 PolarHBondContact OD1-ND2 3.35Å; N197-R199 PolarHBondContact O-N 2.89Å
198T87.8Confident87.6Confident9 Ų946.3 Ų46.36%0.05526%0.259CS..  trans-57.4131.6173.8-61.60000109.6D30 N31 D195 H200D30-T198 HydrophobicContact CB-CG2 4.08Å; N31-T198 WeakPolarHBondContact ND2-CG2 3.43Å; D195-T198 WeakPolarHBondContact O-CB 3.45Å; D195-T198 PolarHBondContact O-N 2.63Å; D195-T198 PolarHBondContact O-OG1 2.91Å; T198-H200 WeakPolarHBondContact CG2-NE2 3.34Å; T198-H200 PolarHBondContact O-CD2 3.12Å; T198-H200 PolarHBondContact O-NE2 3.41Å
199R91.6Very high87.8Confident47 Ų4744 Ų4418%0.17725%0.248CC..EExtended strand (participates in β ladder)trans-99.3116.7-177.6-62.9167.1-67.5174.92.7110.5E28 F29 D30 N31 N197 H220E28-R199 VanDerWaalsContact O-CD 3.29Å; E28-R199 WeakPolarHBondContact O-CD 3.49Å; E28-R199 PolarHBondContact O-NE 3.48Å; E28-R199 PolarHBondContact O-NH1 2.78Å; E28-R199 IonicContact OE2-NH2 2.64Å; F29-R199 HydrophobicContact CD1-CB 4.14Å; D30-R199 PolarHBondContact N-O 3.26Å; D30-R199 IonicContact OD1-NH2 2.94Å; D30-R199 PolarHBondContact OD1-NH2 3.43Å; D30-R199 WeakPolarHBondContact OD2-CB 3.42Å; D30-R199 IonicContact OD2-CZ 3.91Å; D30-R199 PolarHBondContact OD2-N 3.16Å; D30-R199 IonicContact OD2-NE 3.34Å; D30-R199 PolarHBondContact OD2-NE 3.08Å; D30-R199 IonicContact OD2-NH2 2.69Å; N31-R199 PolarHBondContact N-O 3.46Å; N197-R199 PolarHBondContact O-N 2.89Å; R199-H220 WeakPolarHBondContact CA-O 3.44Å; R199-H220 HydrophobicContact CB-CB 4.29Å; R199-H220 HydrophobicContact CG-CB 3.73Å
200H96.9Very high88.1Confident4 Ų440.4 Ų40.42%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-104.1131-174.6-59.6-90000110.8Y33 T198 E218 H220 F221 S222Y33-H200 HydrophobicContact CE2-CB 3.91Å; Y33-H200 AromaticContact CE2-ND1 3.48Å; Y33-H200 WeakPolarHBondContact CE2-ND1 3.45Å; Y33-H200 AromaticContact CZ-ND1 3.59Å; Y33-H200 PolarHBondContact OH-CE1 3.06Å; Y33-H200 PolarHBondContact OH-ND1 2.56Å; T198-H200 WeakPolarHBondContact CG2-NE2 3.34Å; T198-H200 PolarHBondContact O-CD2 3.12Å; T198-H200 PolarHBondContact O-NE2 3.41Å; H200-E218 IonicContact NE2-OE1 2.93Å; H200-E218 IonicContact NE2-OE2 3.93Å; H200-H220 PolarHBondContact N-O 2.76Å; H200-F221 HydrophobicContact CB-CB 4.49Å; H200-F221 HydrophobicContact CB-CD1 4.38Å; H200-F221 HydrophobicContact CB-CD2 3.6Å; H200-F221 HydrophobicContact CB-CE2 3.82Å; H200-F221 HydrophobicContact CB-CG 3.91Å; H200-F221 HydrophobicContact CB-CZ 4.28Å; H200-F221 WeakPolarHBondContact O-CA 3.42Å; H200-S222 PolarHBondContact O-N 3.17Å
201C97.4Very high88.5Confident0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-122.2120.5169.2-173.70000109.5F29 N31 L32 Y33 I75 S222F29-C201 HydrophobicContact CB-CB 4.26Å; F29-C201 HydrophobicContact CD1-CB 3.53Å; F29-C201 HydrophobicContact CD2-CB 4.05Å; F29-C201 HydrophobicContact CE1-CB 3.75Å; F29-C201 HydrophobicContact CE2-CB 4.24Å; F29-C201 HydrophobicContact CG-CB 3.67Å; F29-C201 HydrophobicContact CZ-CB 4.09Å; N31-C201 PolarHBondContact O-N 2.98Å; L32-C201 CarbonylContact C-O 3.45Å; L32-C201 WeakPolarHBondContact CA-O 3.46Å; L32-C201 HydrophobicContact CD1-CB 4.18Å; Y33-C201 WeakPolarHBondContact CD2-O 3.36Å; Y33-C201 PolarHBondContact N-O 3.08Å; I75-C201 HydrophobicContact CG2-CB 4.23Å; C201-S222 WeakPolarHBondContact CA-O 3.48Å
202L97.6Very high88.9Confident0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-114.3123.9176.9171.859.7000109.9Y33 I181 M182 L209 F221 S222 L223 L224Y33-L202 WeakPolarHBondContact O-CA 3.38Å; I181-L202 HydrophobicContact CD1-CD1 3.82Å; I181-L202 HydrophobicContact CG2-CD1 4.27Å; M182-L202 HydrophobicContact CE-CD2 3.65Å; L202-L209 HydrophobicContact CD2-CB 4.24Å; L202-L209 HydrophobicContact CD2-CD2 4.04Å; L202-L209 HydrophobicContact CG-CD1 4.43Å; L202-F221 HydrophobicContact CB-CE1 3.73Å; L202-F221 HydrophobicContact CB-CZ 4.05Å; L202-F221 HydrophobicContact CD2-CE1 4.24Å; L202-F221 HydrophobicContact CD2-CZ 4.15Å; L202-S222 PolarHBondContact N-O 3.25Å; L202-L223 HydrophobicContact CB-CD2 3.78Å; L202-L223 HydrophobicContact CD2-CD2 4.05Å; L202-L223 HydrophobicContact CG-CD2 4.1Å; L202-L223 CarbonylContact O-C 3.57Å; L202-L223 WeakPolarHBondContact O-CA 3.21Å; L202-L224 PolarHBondContact O-N 3.49Å
203Y96.2Very high89.5Confident3 Ų326.3 Ų26.31%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-91.4132.1175.4170-93.1000111.1Y33 L34 D35 I39 Y67 L71 L224 E226 F246Y33-Y203 PolarHBondContact O-N 3.36Å; L34-Y203 HydrophobicContact CD2-CD1 4.2Å; L34-Y203 HydrophobicContact CD2-CG 4.1Å; D35-Y203 PolarHBondContact N-O 2.76Å; I39-Y203 HydrophobicContact CD1-CD1 4.14Å; I39-Y203 HydrophobicContact CD1-CE1 3.7Å; I39-Y203 HydrophobicContact CG1-CD1 4.37Å; I39-Y203 HydrophobicContact CG1-CE1 3.51Å; Y67-Y203 HydrophobicContact CE1-CE2 4.39Å; Y67-Y203 AromaticContact CE1-CZ 3.91Å; Y67-Y203 PolarHBondContact OH-OH 3.05Å; Y67-Y203 VanDerWaalsContact OH-OH 3.06Å; L71-Y203 HydrophobicContact CD1-CD1 3.87Å; L71-Y203 HydrophobicContact CD1-CD2 3.99Å; L71-Y203 HydrophobicContact CD1-CE1 4.01Å; L71-Y203 HydrophobicContact CD1-CE2 4.11Å; L71-Y203 HydrophobicContact CD1-CG 3.86Å; L71-Y203 HydrophobicContact CD2-CD2 3.97Å; L71-Y203 HydrophobicContact CD2-CE2 3.97Å; Y203-L224 WeakPolarHBondContact CA-O 3.5Å; Y203-L224 HydrophobicContact CD2-CB 4.28Å; Y203-L224 HydrophobicContact CD2-CD2 4.01Å; Y203-L224 HydrophobicContact CD2-CG 4.08Å; Y203-L224 WeakPolarHBondContact CD2-O 3.31Å; Y203-E226 PolarHBondContact OH-OE1 3.39Å; Y203-F246 HydrophobicContact CE2-CE1 4.23Å
204G90.3Very high90.1Very high4 Ų422.2 Ų22.24%0.04112%0.12CC..  trans165.7160.5168.500000113.5L209 L224 R225G204-L209 VanDerWaalsContact CA-CD1 3.46Å; G204-L224 PolarHBondContact N-O 3.36Å; G204-R225 WeakPolarHBondContact O-CG 3.26Å
205L83.6Confident90.7Very high75 Ų7520.7 Ų20.739%0.39311%0.114SC..SBendtrans-97.6-3.7-174.2-64179.5000114R225 E226L205-R225 VanDerWaalsContact C-NH2 3.27Å; L205-R225 HydrophobicContact CD2-CB 4.35Å; L205-R225 PolarHBondContact O-NH2 3.06Å; L205-E226 HydrophobicContact CD2-CB 4.07Å
206D83.8Confident91.2Very high22 Ų2217.9 Ų17.912%0.11810%0.099CC..  trans-77.8148.7-177.7-70.7-45.5000112.6M1 D208 L209 R225M1-D206 WeakPolarHBondContact CA-OD1 3.32Å; M1-D206 VanDerWaalsContact CB-OD1 3.31Å; M1-D206 WeakPolarHBondContact CB-OD1 3.47Å; M1-D206 VanDerWaalsContact CE-OD2 3.28Å; M1-D206 WeakPolarHBondContact CE-OD2 3.41Å; M1-D206 PolarHBondContact N-OD1 3.14Å; D206-D208 VanDerWaalsContact C-N 3.29Å; D206-L209 HydrophobicContact CB-CG 4.27Å; D206-R225 PolarHBondContact O-NH1 2.91Å; D206-R225 PolarHBondContact O-NH2 2.88Å
207A81.3Confident91.7Very high7 Ų716 Ų166%0.0588%0.083CC..SBendtrans-73.1-29.2177.900000111F6 L209 I210F6-A207 HydrophobicContact CB-CB 4.08Å; F6-A207 HydrophobicContact CD1-CB 4.16Å; A207-L209 PolarHBondContact O-N 3.39Å; A207-I210 WeakPolarHBondContact O-CB 3.5Å; A207-I210 PolarHBondContact O-N 2.82Å; A207-I210 VanDerWaalsContact O-N 3.08Å
208D86.5Confident92Very high2 Ų212 Ų121%0.0116%0.062CC..Hα-helixtrans-64.9-27.7-177.5-68.1-2.1000112.1G2 D206 I210 M211 L212 Y470G2-D208 WeakPolarHBondContact CA-OD1 3.32Å; G2-D208 WeakPolarHBondContact CA-OD2 3.24Å; D206-D208 VanDerWaalsContact C-N 3.29Å; D208-I210 PolarHBondContact O-N 3.19Å; D208-I210 VanDerWaalsContact O-N 3.16Å; D208-M211 CarbonylContact O-C 3.46Å; D208-M211 WeakPolarHBondContact O-CA 3.34Å; D208-M211 WeakPolarHBondContact O-CB 3.45Å; D208-M211 PolarHBondContact O-N 2.86Å; D208-L212 PolarHBondContact O-N 3.35Å; D208-Y470 PolarHBondContact OD2-OH 3.49Å
209L92.8Very high92Very high0 Ų013.6 Ų13.60%08%0.076CC..Hα-helixtrans-59.2-27.4173.5-55.5-176.9000113.4E178 L202 G204 D206 A207 L212 G213 L223E178-L209 HydrophobicContact CB-CD2 3.59Å; E178-L209 VanDerWaalsContact OE2-CD2 3.26Å; E178-L209 WeakPolarHBondContact OE2-CD2 3.32Å; L202-L209 HydrophobicContact CD2-CB 4.24Å; L202-L209 HydrophobicContact CD2-CD2 4.04Å; L202-L209 HydrophobicContact CG-CD1 4.43Å; G204-L209 VanDerWaalsContact CA-CD1 3.46Å; D206-L209 HydrophobicContact CB-CG 4.27Å; A207-L209 PolarHBondContact O-N 3.39Å; L209-L212 HydrophobicContact CD2-CD1 4.25Å; L209-G213 PolarHBondContact O-N 3.12Å; L209-L223 HydrophobicContact CB-CD1 4.11Å; L209-L223 HydrophobicContact CB-CD2 4.31Å
210I94.1Very high92.1Very high0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-69.2-45.8174-62.8153.7000109.6F6 Y7 I10 A207 D208 L214 L223 L249 L251F6-I210 HydrophobicContact CD1-CD1 4.28Å; F6-I210 HydrophobicContact CE1-CD1 4.34Å; F6-I210 HydrophobicContact CE1-CG2 4.41Å; Y7-I210 HydrophobicContact CD2-CD1 4.38Å; I10-I210 HydrophobicContact CD1-CD1 3.48Å; I10-I210 VanDerWaalsContact CD1-CD1 3.48Å; I10-I210 HydrophobicContact CD1-CG1 4.43Å; I10-I210 HydrophobicContact CD1-CG2 4.41Å; A207-I210 WeakPolarHBondContact O-CB 3.5Å; A207-I210 PolarHBondContact O-N 2.82Å; A207-I210 VanDerWaalsContact O-N 3.08Å; D208-I210 PolarHBondContact O-N 3.19Å; D208-I210 VanDerWaalsContact O-N 3.16Å; I210-L214 HydrophobicContact CG2-CD1 4.16Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 VanDerWaalsContact O-CG 3.32Å; I210-L214 WeakPolarHBondContact O-CG 3.29Å; I210-L214 PolarHBondContact O-N 2.99Å; I210-L223 HydrophobicContact CB-CD1 4.24Å; I210-L223 HydrophobicContact CG1-CD1 3.44Å; I210-L223 VanDerWaalsContact CG1-CD1 3.44Å; I210-L249 HydrophobicContact CD1-CD1 4.5Å; I210-L251 HydrophobicContact CG2-CD2 3.95Å
211M93.6Very high92.1Very high1 Ų115 Ų151%0.0059%0.085CC..Hα-helixtrans-63.9-50.5177-60.2-60.9-174.600110.2F6 D208 G213 L214 T215 W282 I283 Y470F6-M211 HydrophobicContact CE1-CE 3.69Å; F6-M211 HydrophobicContact CE2-CE 3.88Å; F6-M211 HydrophobicContact CZ-CE 3.3Å; D208-M211 CarbonylContact O-C 3.46Å; D208-M211 WeakPolarHBondContact O-CA 3.34Å; D208-M211 WeakPolarHBondContact O-CB 3.45Å; D208-M211 PolarHBondContact O-N 2.86Å; M211-G213 PolarHBondContact O-N 3.04Å; M211-L214 PolarHBondContact O-N 3.45Å; M211-L214 VanDerWaalsContact O-N 3.12Å; M211-T215 VanDerWaalsContact O-CG2 3.27Å; M211-T215 WeakPolarHBondContact O-CG2 3.41Å; M211-T215 PolarHBondContact O-N 3.48Å; M211-W282 HydrophobicContact CE-CH2 3.91Å; M211-W282 HydrophobicContact CE-CZ3 3.82Å; M211-W282 HydrophobicContact SD-CE3 4.05Å; M211-W282 HydrophobicContact SD-CH2 3.99Å; M211-W282 HydrophobicContact SD-CZ3 3.34Å; M211-W282 WeakPolarHBondContact SD-CZ3 3.01Å; M211-I283 HydrophobicContact SD-CG1 4.17Å; M211-Y470 HydrophobicContact CB-CE1 4.08Å
212L93.8Very high92Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-58.5-45.9178.2-70.7166.7000111.6E178 M182 D208 L209 L214 T215 S216 Y470E178-L212 HydrophobicContact CB-CD1 3.79Å; E178-L212 HydrophobicContact CG-CD1 3.7Å; M182-L212 HydrophobicContact CE-CB 3.54Å; M182-L212 HydrophobicContact CG-CB 3.94Å; M182-L212 HydrophobicContact CG-CD1 4.39Å; M182-L212 HydrophobicContact CG-CD2 3.97Å; M182-L212 HydrophobicContact CG-CG 4.33Å; M182-L212 HydrophobicContact SD-CB 3.91Å; D208-L212 PolarHBondContact O-N 3.35Å; L209-L212 HydrophobicContact CD2-CD1 4.25Å; L212-L214 VanDerWaalsContact C-N 3.3Å; L212-L214 PolarHBondContact O-N 2.95Å; L212-T215 WeakPolarHBondContact CA-OG1 3.26Å; L212-T215 PolarHBondContact O-N 3.46Å; L212-T215 PolarHBondContact O-OG1 3.25Å; L212-S216 PolarHBondContact O-N 3.44Å; L212-Y470 HydrophobicContact CD1-CE1 4.42Å; L212-Y470 HydrophobicContact CD2-CD1 3.17Å; L212-Y470 HydrophobicContact CD2-CD2 4.44Å; L212-Y470 HydrophobicContact CD2-CE1 3.44Å; L212-Y470 VanDerWaalsContact CD2-CE1 3.44Å; L212-Y470 HydrophobicContact CD2-CG 3.75Å; L212-Y470 HydrophobicContact CG-CD1 3.7Å; L212-Y470 HydrophobicContact CG-CE1 3.51Å
213G94.9Very high92Very high1 Ų115.4 Ų15.41%0.019%0.087CC..Hα-helixtrans-59.5-39.2175.900000112.8L209 M211 S216L209-G213 PolarHBondContact O-N 3.12Å; M211-G213 PolarHBondContact O-N 3.04Å; G213-S216 WeakPolarHBondContact O-CB 3.31Å; G213-S216 PolarHBondContact O-N 2.94Å; G213-S216 PolarHBondContact O-OG 3.49Å
214L95.8Very high91.9Very high3 Ų315.3 Ų15.32%0.0169%0.087CC..Hα-helixtrans-70.9-36.8175.2-71.9168.4000112.9I210 M211 L212 S216 H217 L251 M254 R255 I258 I279 W282 I283I210-L214 HydrophobicContact CG2-CD1 4.16Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 VanDerWaalsContact O-CG 3.32Å; I210-L214 WeakPolarHBondContact O-CG 3.29Å; I210-L214 PolarHBondContact O-N 2.99Å; M211-L214 PolarHBondContact O-N 3.45Å; M211-L214 VanDerWaalsContact O-N 3.12Å; L212-L214 VanDerWaalsContact C-N 3.3Å; L212-L214 PolarHBondContact O-N 2.95Å; L214-S216 PolarHBondContact O-N 3.29Å; L214-H217 PolarHBondContact O-N 3.34Å; L214-L251 HydrophobicContact CD2-CB 4.34Å; L214-L251 HydrophobicContact CG-CD2 4.44Å; L214-M254 HydrophobicContact CD1-CG 4.12Å; L214-M254 HydrophobicContact CD2-CG 4.44Å; L214-R255 HydrophobicContact CD2-CG 3.64Å; L214-I258 HydrophobicContact CD1-CD1 4.19Å; L214-I279 HydrophobicContact CB-CG2 4.01Å; L214-W282 HydrophobicContact CD1-CE3 4.12Å; L214-W282 HydrophobicContact CD1-CH2 4.18Å; L214-W282 HydrophobicContact CD1-CZ3 3.48Å; L214-W282 VanDerWaalsContact CD1-CZ3 3.48Å; L214-I283 HydrophobicContact CB-CD1 4.19Å
215T94.6Very high91.9Very high14 Ų1415.5 Ų15.59%0.0869%0.086CC..Hα-helixtrans-61.8-24.9175.5650000112.7M211 L212 H217 I283 Y470 Y471M211-T215 VanDerWaalsContact O-CG2 3.27Å; M211-T215 WeakPolarHBondContact O-CG2 3.41Å; M211-T215 PolarHBondContact O-N 3.48Å; L212-T215 WeakPolarHBondContact CA-OG1 3.26Å; L212-T215 PolarHBondContact O-N 3.46Å; L212-T215 PolarHBondContact O-OG1 3.25Å; T215-H217 PolarHBondContact O-CD2 2.83Å; T215-H217 VanDerWaalsContact O-CD2 3.27Å; T215-H217 PolarHBondContact O-N 3.38Å; T215-I283 HydrophobicContact CG2-CD1 3.58Å; T215-I283 HydrophobicContact CG2-CG1 4.46Å; T215-I283 HydrophobicContact CG2-CG2 4.23Å; T215-Y470 HydrophobicContact CG2-CD1 4.25Å; T215-Y471 HydrophobicContact CG2-CD2 4.25Å; T215-Y471 HydrophobicContact CG2-CE2 3.73Å
216S92.8Very high92.1Very high8 Ų813 Ų136%0.0567%0.073CC..THydrogen-bonded Turntrans-66.3-21.1175.2810000112K189 L212 G213 L214 E218K189-S216 PolarHBondContact NZ-O 2.94Å; L212-S216 PolarHBondContact O-N 3.44Å; G213-S216 WeakPolarHBondContact O-CB 3.31Å; G213-S216 PolarHBondContact O-N 2.94Å; G213-S216 PolarHBondContact O-OG 3.49Å; L214-S216 PolarHBondContact O-N 3.29Å; S216-E218 PolarHBondContact O-N 2.94Å; S216-E218 WeakPolarHBondContact OG-CB 3.34Å; S216-E218 PolarHBondContact OG-N 3.31Å
217H93.8Very high92Very high44 Ų4415.5 Ų15.520%0.2048%0.084CC..THydrogen-bonded Turntrans55.116.5-174.8-65.9-62.6000114.6L214 T215 R255 E276 D280L214-H217 PolarHBondContact O-N 3.34Å; T215-H217 PolarHBondContact O-CD2 2.83Å; T215-H217 VanDerWaalsContact O-CD2 3.27Å; T215-H217 PolarHBondContact O-N 3.38Å; H217-R255 PolarHBondContact O-NH1 3.49Å; H217-R255 PolarHBondContact O-NH2 3.02Å; H217-E276 PolarHBondContact CE1-O 2.89Å; H217-E276 IonicContact CE1-OE2 2.96Å; H217-E276 IonicContact CG-OE2 2.77Å; H217-E276 IonicContact ND1-OE2 2.71Å; H217-E276 PolarHBondContact ND1-OE2 2.89Å; H217-D280 IonicContact CE1-OD1 2.65Å; H217-D280 PolarHBondContact CE1-OD1 3.01Å; H217-D280 IonicContact NE2-OD1 3.24Å; H217-D280 PolarHBondContact NE2-OD1 3.25Å
218E92.2Very high91.5Very high7 Ų718.6 Ų18.63%0.03310%0.102CC..  trans-72.4131.2175.6-74.8-63.7163.200112.4K189 H194 H200 S216 H220 F221 R255K189-E218 HydrophobicContact CD-CG 4.21Å; K189-E218 WeakPolarHBondContact CD-OE1 3.22Å; K189-E218 WeakPolarHBondContact CE-OE1 3.23Å; K189-E218 WeakPolarHBondContact CG-OE1 3.48Å; K189-E218 IonicContact NZ-OE1 2.83Å; H194-E218 IonicContact CE1-OE1 3.86Å; H194-E218 PolarHBondContact CE1-OE1 2.83Å; H194-E218 IonicContact NE2-OE1 3.25Å; H194-E218 PolarHBondContact NE2-OE1 2.97Å; H194-E218 VanDerWaalsContact NE2-OE1 3.14Å; H200-E218 IonicContact NE2-OE1 2.93Å; H200-E218 IonicContact NE2-OE2 3.93Å; S216-E218 PolarHBondContact O-N 2.94Å; S216-E218 WeakPolarHBondContact OG-CB 3.34Å; S216-E218 PolarHBondContact OG-N 3.31Å; E218-H220 VanDerWaalsContact C-N 3.32Å; E218-H220 PolarHBondContact O-N 3.3Å; E218-F221 HydrophobicContact CB-CB 4.48Å; E218-F221 HydrophobicContact CB-CD2 4.06Å; E218-R255 PolarHBondContact O-NH1 2.89Å
219A88.9Confident90.5Very high44 Ų4427.4 Ų27.436%0.36414%0.135SC..SBendtrans-68.6-32.7-174.400000112.6S252A219-S252 WeakPolarHBondContact O-CB 3.47Å
220H92.7Very high88.7Confident80 Ų8032.5 Ų32.537%0.3716%0.157SC..EExtended strand (participates in β ladder)trans-116.778.7-176.2-58.7-48.4000111.3R199 H200 E218R199-H220 WeakPolarHBondContact CA-O 3.44Å; R199-H220 HydrophobicContact CB-CB 4.29Å; R199-H220 HydrophobicContact CG-CB 3.73Å; H200-H220 PolarHBondContact N-O 2.76Å; E218-H220 VanDerWaalsContact C-N 3.32Å; E218-H220 PolarHBondContact O-N 3.3Å
221F96.5Very high86.1Confident1 Ų136.4 Ų36.40%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-125.6129.7179.8-152.7-60.7000110.5M182 I185 H200 L202 E218 L223 L251M182-F221 HydrophobicContact CE-CE2 4.46Å; M182-F221 HydrophobicContact CE-CZ 3.95Å; I185-F221 HydrophobicContact CD1-CE2 3.98Å; I185-F221 HydrophobicContact CD1-CZ 4.24Å; H200-F221 HydrophobicContact CB-CB 4.49Å; H200-F221 HydrophobicContact CB-CD1 4.38Å; H200-F221 HydrophobicContact CB-CD2 3.6Å; H200-F221 HydrophobicContact CB-CE2 3.82Å; H200-F221 HydrophobicContact CB-CG 3.91Å; H200-F221 HydrophobicContact CB-CZ 4.28Å; H200-F221 WeakPolarHBondContact O-CA 3.42Å; L202-F221 HydrophobicContact CB-CE1 3.73Å; L202-F221 HydrophobicContact CB-CZ 4.05Å; L202-F221 HydrophobicContact CD2-CE1 4.24Å; L202-F221 HydrophobicContact CD2-CZ 4.15Å; E218-F221 HydrophobicContact CB-CB 4.48Å; E218-F221 HydrophobicContact CB-CD2 4.06Å; F221-L223 HydrophobicContact CD1-CD2 4.21Å; F221-L223 HydrophobicContact CE1-CD2 3.73Å; F221-L251 HydrophobicContact CB-CB 4.25Å; F221-L251 HydrophobicContact CB-CD1 4.13Å; F221-L251 HydrophobicContact CD1-CD1 3.62Å; F221-L251 HydrophobicContact CD1-CG 4.44Å; F221-L251 HydrophobicContact CE1-CD1 4.29Å; F221-L251 HydrophobicContact CG-CD1 4.01Å; F221-L251 WeakPolarHBondContact O-CB 3.16Å; F221-L251 PolarHBondContact O-N 3.07Å
222S96.4Very high83.8Confident8 Ų840 Ų406%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-129.2150.8174.9-55.70000111.2H200 C201 L202 L249 H250H200-S222 PolarHBondContact O-N 3.17Å; C201-S222 WeakPolarHBondContact CA-O 3.48Å; L202-S222 PolarHBondContact N-O 3.25Å; S222-L249 CarbonylContact C-O 3.38Å; S222-L249 WeakPolarHBondContact CA-O 3.48Å; S222-H250 PolarHBondContact OG-ND1 3.05Å
223L96.3Very high81.2Confident0 Ų048.6 Ų48.60%027%0.272CS..EExtended strand (participates in β ladder)trans-108.8126.3172.7-54.8-178.4000110.2L202 L209 I210 F221 R225 L248 L249 L251L202-L223 HydrophobicContact CB-CD2 3.78Å; L202-L223 HydrophobicContact CD2-CD2 4.05Å; L202-L223 HydrophobicContact CG-CD2 4.1Å; L202-L223 CarbonylContact O-C 3.57Å; L202-L223 WeakPolarHBondContact O-CA 3.21Å; L209-L223 HydrophobicContact CB-CD1 4.11Å; L209-L223 HydrophobicContact CB-CD2 4.31Å; I210-L223 HydrophobicContact CB-CD1 4.24Å; I210-L223 HydrophobicContact CG1-CD1 3.44Å; I210-L223 VanDerWaalsContact CG1-CD1 3.44Å; F221-L223 HydrophobicContact CD1-CD2 4.21Å; F221-L223 HydrophobicContact CE1-CD2 3.73Å; L223-R225 HydrophobicContact CB-CG 4.29Å; L223-L248 WeakPolarHBondContact O-CA 3.34Å; L223-L249 HydrophobicContact CB-CB 4.3Å; L223-L249 HydrophobicContact CD1-CD2 4.21Å; L223-L249 HydrophobicContact CG-CD2 4.38Å; L223-L249 PolarHBondContact N-O 3.43Å; L223-L249 PolarHBondContact O-N 3.05Å; L223-L251 HydrophobicContact CD1-CD2 4.47Å; L223-L251 HydrophobicContact CG-CD1 4.42Å; L223-L251 HydrophobicContact CG-CG 4.48Å
224L94.8Very high78.7Confident0 Ų056.3 Ų56.30%031%0.305CS..EExtended strand (participates in β ladder)trans-90.4125.9171.7-176.769.5000109.5V21 L71 I75 L202 Y203 G204 F246V21-L224 HydrophobicContact CG2-CD1 3.89Å; L71-L224 HydrophobicContact CD2-CD2 3.87Å; I75-L224 HydrophobicContact CD1-CD1 4.27Å; I75-L224 HydrophobicContact CD1-CD2 3.97Å; I75-L224 HydrophobicContact CG1-CD2 3.83Å; L202-L224 PolarHBondContact O-N 3.49Å; Y203-L224 WeakPolarHBondContact CA-O 3.5Å; Y203-L224 HydrophobicContact CD2-CB 4.28Å; Y203-L224 HydrophobicContact CD2-CD2 4.01Å; Y203-L224 HydrophobicContact CD2-CG 4.08Å; Y203-L224 WeakPolarHBondContact CD2-O 3.31Å; G204-L224 PolarHBondContact N-O 3.36Å; L224-F246 HydrophobicContact CD1-CB 3.96Å; L224-F246 HydrophobicContact CD1-CD1 4.41Å; L224-F246 HydrophobicContact CD1-CG 4.47Å; L224-F246 HydrophobicContact CG-CD1 4.37Å
225R91.3Very high76Confident9 Ų962.6 Ų62.63%0.03434%0.344CS..EExtended strand (participates in β ladder)trans-139.4153.8-174-51.7-179.369.1115.7-2110.7G204 L205 D206 L223 F246 H247G204-R225 WeakPolarHBondContact O-CG 3.26Å; L205-R225 VanDerWaalsContact C-NH2 3.27Å; L205-R225 HydrophobicContact CD2-CB 4.35Å; L205-R225 PolarHBondContact O-NH2 3.06Å; D206-R225 PolarHBondContact O-NH1 2.91Å; D206-R225 PolarHBondContact O-NH2 2.88Å; L223-R225 HydrophobicContact CB-CG 4.29Å; R225-F246 CarbonylContact O-C 3.58Å; R225-F246 WeakPolarHBondContact O-CA 3.37Å; R225-H247 PolarHBondContact N-O 2.91Å; R225-H247 PolarHBondContact O-N 3.47Å
226E87.3Confident73.6Confident22 Ų2267.2 Ų67.210%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-78.9154170.6-65.6164.6-125.600111.4Q42 Y67 Y203 L205 V228 T244 F246Q42-E226 PolarHBondContact NE2-OE2 3.41Å; Q42-E226 PolarHBondContact OE1-OE1 3.33Å; Q42-E226 VanDerWaalsContact OE1-OE1 3.1Å; Y67-E226 PolarHBondContact OH-OE1 3.03Å; Y203-E226 PolarHBondContact OH-OE1 3.39Å; L205-E226 HydrophobicContact CD2-CB 4.07Å; E226-V228 PolarHBondContact O-N 2.95Å; E226-T244 HydrophobicContact CB-CG2 4.28Å; E226-T244 HydrophobicContact CG-CG2 3.86Å; E226-F246 HydrophobicContact CG-CD1 4.01Å; E226-F246 HydrophobicContact CG-CE1 3.65Å; E226-F246 HydrophobicContact CG-CZ 4.47Å
227E82.5Confident71.3Confident75 Ų7572 Ų7235%0.3538%0.381SS..  trans-63.6117.8172.5-178.1-175.8-143.500110.4R229 T245E227-R229 HydrophobicContact CG-CG 4.16Å; E227-R229 IonicContact OE1-NE 2.7Å; E227-R229 IonicContact OE2-CZ 3.93Å; E227-R229 IonicContact OE2-NE 3.76Å; E227-R229 PolarHBondContact OE2-NE 2.85Å; E227-R229 IonicContact OE2-NH2 3.85Å; E227-R229 PolarHBondContact OE2-NH2 3.48Å; E227-T245 HydrophobicContact CB-CG2 4.2Å; E227-T245 WeakPolarHBondContact CB-O 3.46Å; E227-T245 PolarHBondContact N-O 3.18Å
228V70.7Confident69.2Low71 Ų7175.4 Ų75.443%0.4341%0.405SS..  trans-98.8109170.5-175.80000109.1E226 F230E226-V228 PolarHBondContact O-N 2.95Å; V228-F230 HydrophobicContact CB-CE1 4.48Å; V228-F230 HydrophobicContact CB-CZ 4.32Å; V228-F230 HydrophobicContact CG1-CD1 4.34Å; V228-F230 HydrophobicContact CG1-CE1 3.84Å; V228-F230 HydrophobicContact CG1-CZ 4.18Å
229R65.2Low67.3Low188 Ų18878.1 Ų78.171%0.70942%0.424SS*.  trans-82.7120.6175.7-65.2-173.3-178.2-179.42.7111.1E227E227-R229 HydrophobicContact CG-CG 4.16Å; E227-R229 IonicContact OE1-NE 2.7Å; E227-R229 IonicContact OE2-CZ 3.93Å; E227-R229 IonicContact OE2-NE 3.76Å; E227-R229 PolarHBondContact OE2-NE 2.85Å; E227-R229 IonicContact OE2-NH2 3.85Å; E227-R229 PolarHBondContact OE2-NH2 3.48Å
230F53.7Low66.3Low106 Ų10678 Ų7847%0.46542%0.422SS..  trans-88.1121.6179.1-55.4-69.8000111.1Y7 R8 V228Y7-F230 HydrophobicContact CD1-CZ 4.4Å; R8-F230 HydrophobicContact CB-CE1 4.01Å; R8-F230 HydrophobicContact CB-CE2 4.35Å; R8-F230 HydrophobicContact CB-CZ 3.75Å; R8-F230 HydrophobicContact CG-CD2 4.45Å; R8-F230 HydrophobicContact CG-CE1 4.16Å; R8-F230 HydrophobicContact CG-CE2 4.07Å; R8-F230 HydrophobicContact CG-CZ 3.92Å; V228-F230 HydrophobicContact CB-CE1 4.48Å; V228-F230 HydrophobicContact CB-CZ 4.32Å; V228-F230 HydrophobicContact CG1-CD1 4.34Å; V228-F230 HydrophobicContact CG1-CE1 3.84Å; V228-F230 HydrophobicContact CG1-CZ 4.18Å
231G41.1Very low65.4Low82 Ų8275 Ų7585%0.84541%0.411SS*.SBendtrans98.2121.7175.400000114.8
232G43.8Very low64.4Low76 Ų7679.4 Ų79.478%0.78443%0.431SS*.SBendtrans121.5142.6178.800000113.1K234G232-K234 PolarHBondContact O-N 3.21Å
233K40.1Very low63.3Low182 Ų18285.4 Ų85.479%0.79146%0.458SS*.  trans-61.1127.3174.5-85.1-172.5177.2-174.40109.5T235K233-T235 PolarHBondContact O-N 2.92Å
234K42.1Very low62.5Low162 Ų16286.8 Ų86.870%0.70447%0.467SS*.  trans-51.5102.3173-73.1178.6171.7-171.70109.7G232 Q236G232-K234 PolarHBondContact O-N 3.21Å; K234-Q236 VanDerWaalsContact C-N 3.31Å
235T39Very low62Low136 Ų13689.2 Ų89.283%0.83448%0.482SS*.  trans-99.576.4147.8-8.70000104.1K233 R237K233-T235 PolarHBondContact O-N 2.92Å; T235-R237 PolarHBondContact O-N 3.47Å
236Q43.5Very low62Low110 Ų11089.3 Ų89.351%0.51448%0.482SS..  trans-66.688.8171.5-106.4172.7-45.700106K234K234-Q236 VanDerWaalsContact C-N 3.31Å
237R46.5Very low62.1Low110 Ų11089.7 Ų89.742%0.41548%0.484SS..  trans-67.6135.3158.9-88.8-175.1172-178.6-4.3106.4T235 C239 S932 L934T235-R237 PolarHBondContact O-N 3.47Å; R237-C239 VanDerWaalsContact C-N 3.3Å; R237-C239 PolarHBondContact O-N 3.46Å; R237-S932 PolarHBondContact NH2-O 2.86Å; R237-S932 VanDerWaalsContact NH2-O 3.12Å; R237-L934 PolarHBondContact NH1-O 3.43Å; R237-L934 PolarHBondContact NH2-O 3.25Å
238V49Very low62.6Low115 Ų11586.2 Ų86.270%0.69747%0.468SS*.  trans-60.499.3164.7-178.30000106P46P46-V238 HydrophobicContact CB-CG2 4.04Å; P46-V238 HydrophobicContact CG-CG2 3.82Å
239C52.9Low63.7Low63 Ų6382.9 Ų82.943%0.42645%0.448SS..  trans-82.8142.9171-127.50000107.2R237 E243R237-C239 VanDerWaalsContact C-N 3.3Å; R237-C239 PolarHBondContact O-N 3.46Å; C239-E243 HydrophobicContact CB-CB 4.45Å; C239-E243 VanDerWaalsContact SG-CB 3.53Å; C239-E243 PolarHBondContact SG-OE2 2.91Å
240A67.2Low65.1Low41 Ų4175.1 Ų75.134%0.33942%0.419SS..  trans-59144.8167.900000109.2E242 E243 T244A240-E242 PolarHBondContact O-N 2.85Å; A240-E243 HydrophobicContact CB-CG 4.36Å; A240-E243 PolarHBondContact O-N 3.33Å; A240-T244 PolarHBondContact O-N 3.06Å; A240-T244 PolarHBondContact O-OG1 3.36Å
241P72.8Confident67.1Low19 Ų1970.1 Ų70.112%0.12340%0.398CS..G310 helixtrans-52.5-30.7177-29.337.3000113.4Y67 V70 E243 T244Y67-P241 HydrophobicContact CD2-CB 4.17Å; Y67-P241 HydrophobicContact CD2-CG 3.77Å; Y67-P241 HydrophobicContact CE2-CB 4.4Å; Y67-P241 HydrophobicContact CE2-CG 4.32Å; Y67-P241 HydrophobicContact CG-CG 4.44Å; V70-P241 HydrophobicContact CB-CB 4.09Å; V70-P241 HydrophobicContact CG1-CB 3.98Å; V70-P241 HydrophobicContact CG2-CB 3.88Å; P241-E243 VanDerWaalsContact C-N 3.31Å; P241-E243 PolarHBondContact O-N 3.39Å; P241-T244 WeakPolarHBondContact O-CB 3.25Å; P241-T244 PolarHBondContact O-N 2.97Å
242E76.4Confident69.6Low93 Ų9367.9 Ų67.944%0.43537%0.369SS..G310 helixtrans-66-27.6175.9-66.686.9168.400114.7H66 V70 A240 T244H66-E242 IonicContact CE1-OE1 3.76Å; H66-E242 PolarHBondContact CE1-OE1 3.15Å; H66-E242 IonicContact CE1-OE2 3.02Å; H66-E242 IonicContact NE2-OE1 3.34Å; H66-E242 PolarHBondContact NE2-OE1 2.88Å; H66-E242 IonicContact NE2-OE2 3.2Å; H66-E242 PolarHBondContact NE2-OE2 2.74Å; V70-E242 HydrophobicContact CG2-CG 4.48Å; A240-E242 PolarHBondContact O-N 2.85Å; E242-T244 VanDerWaalsContact C-N 3.34Å
243E73.9Confident71.9Confident133 Ų13366.9 Ų66.962%0.62135%0.345SS*.G310 helixtrans-89.6-9178.1-62.2179.215800111.7C239 A240 P241C239-E243 HydrophobicContact CB-CB 4.45Å; C239-E243 VanDerWaalsContact SG-CB 3.53Å; C239-E243 PolarHBondContact SG-OE2 2.91Å; A240-E243 HydrophobicContact CB-CG 4.36Å; A240-E243 PolarHBondContact O-N 3.33Å; P241-E243 VanDerWaalsContact C-N 3.31Å; P241-E243 PolarHBondContact O-N 3.39Å
244T79.8Confident74.5Confident30 Ų3058.2 Ų58.218%0.18431%0.308CS..SBendtrans-74.7128.1-179.5-58.10000109.7E226 A240 P241 E242 F246E226-T244 HydrophobicContact CB-CG2 4.28Å; E226-T244 HydrophobicContact CG-CG2 3.86Å; A240-T244 PolarHBondContact O-N 3.06Å; A240-T244 PolarHBondContact O-OG1 3.36Å; P241-T244 WeakPolarHBondContact O-CB 3.25Å; P241-T244 PolarHBondContact O-N 2.97Å; E242-T244 VanDerWaalsContact C-N 3.34Å; T244-F246 HydrophobicContact CG2-CE1 4.42Å; T244-F246 HydrophobicContact CG2-CE2 4.19Å; T244-F246 HydrophobicContact CG2-CZ 4.06Å; T244-F246 VanDerWaalsContact O-CD2 3.31Å; T244-F246 WeakPolarHBondContact O-CD2 3.29Å; T244-F246 WeakPolarHBondContact O-CE2 3.42Å
245T84Confident77.1Confident51 Ų5152 Ų5231%0.31328%0.28SS..PPolyproline II helixtrans-81.8122.4175.8-59.20000109.1V20 E227V20-T245 HydrophobicContact CG1-CG2 3.74Å; E227-T245 HydrophobicContact CB-CG2 4.2Å; E227-T245 WeakPolarHBondContact CB-O 3.46Å; E227-T245 PolarHBondContact N-O 3.18Å
246F89.6Confident79.7Confident10 Ų1051.7 Ų51.74%0.04427%0.269CS..EExtended strand (participates in β ladder)trans-101.4147.6175.8-65.5-85.7000111.3V21 L71 I74 Y203 L224 R225 E226 T244V21-F246 HydrophobicContact CB-CB 3.99Å; V21-F246 WeakPolarHBondContact CB-O 3.41Å; V21-F246 HydrophobicContact CG2-CB 3.86Å; V21-F246 WeakPolarHBondContact CG2-O 3.44Å; V21-F246 PolarHBondContact N-O 3.47Å; L71-F246 HydrophobicContact CD2-CE1 3.79Å; L71-F246 HydrophobicContact CD2-CZ 4Å; I74-F246 HydrophobicContact CD1-CD2 3.77Å; I74-F246 HydrophobicContact CD1-CE2 3.7Å; I74-F246 HydrophobicContact CD1-CZ 4.4Å; Y203-F246 HydrophobicContact CE2-CE1 4.23Å; L224-F246 HydrophobicContact CD1-CB 3.96Å; L224-F246 HydrophobicContact CD1-CD1 4.41Å; L224-F246 HydrophobicContact CD1-CG 4.47Å; L224-F246 HydrophobicContact CG-CD1 4.37Å; R225-F246 CarbonylContact O-C 3.58Å; R225-F246 WeakPolarHBondContact O-CA 3.37Å; E226-F246 HydrophobicContact CG-CD1 4.01Å; E226-F246 HydrophobicContact CG-CE1 3.65Å; E226-F246 HydrophobicContact CG-CZ 4.47Å; T244-F246 HydrophobicContact CG2-CE1 4.42Å; T244-F246 HydrophobicContact CG2-CE2 4.19Å; T244-F246 HydrophobicContact CG2-CZ 4.06Å; T244-F246 VanDerWaalsContact O-CD2 3.31Å; T244-F246 WeakPolarHBondContact O-CD2 3.29Å; T244-F246 WeakPolarHBondContact O-CE2 3.42Å
247H90.8Very high82.2Confident30 Ų3049.2 Ų49.214%0.13926%0.255CS..EExtended strand (participates in β ladder)trans-116.2141.7172-65.8159.6000110.4E19 R225E19-H247 CarbonylContact O-C 3.58Å; E19-H247 WeakPolarHBondContact O-CA 3.34Å; R225-H247 PolarHBondContact N-O 2.91Å; R225-H247 PolarHBondContact O-N 3.47Å
248L92.8Very high84.6Confident2 Ų244 Ų441%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-106.6114.9170.5-167.967.5000108.2S18 E19 V21 P27 F29 L223 H250S18-L248 WeakPolarHBondContact CA-O 3.4Å; E19-L248 HydrophobicContact CG-CB 4.06Å; E19-L248 PolarHBondContact N-O 2.95Å; E19-L248 PolarHBondContact O-N 3.33Å; V21-L248 HydrophobicContact CG2-CB 4.11Å; P27-L248 HydrophobicContact CG-CD2 4.18Å; F29-L248 HydrophobicContact CE2-CD1 4.36Å; F29-L248 HydrophobicContact CE2-CD2 4.22Å; F29-L248 HydrophobicContact CZ-CD1 4Å; F29-L248 HydrophobicContact CZ-CD2 3.95Å; L223-L248 WeakPolarHBondContact O-CA 3.34Å; L248-H250 VanDerWaalsContact CD2-CE1 3.43Å; L248-H250 WeakPolarHBondContact CD2-CE1 3.46Å
249L94.4Very high86.8Confident1 Ų140.8 Ų40.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-95.1124.6175.9-179.7152.1000109.3Y7 I10 L17 I210 S222 L223 L251Y7-L249 HydrophobicContact CD2-CD1 3.96Å; Y7-L249 HydrophobicContact CE2-CD1 3.6Å; I10-L249 HydrophobicContact CD1-CD1 4.33Å; L17-L249 HydrophobicContact CB-CG 4.44Å; L17-L249 CarbonylContact O-C 3.59Å; L17-L249 WeakPolarHBondContact O-CA 3.42Å; I210-L249 HydrophobicContact CD1-CD1 4.5Å; S222-L249 CarbonylContact C-O 3.38Å; S222-L249 WeakPolarHBondContact CA-O 3.48Å; L223-L249 HydrophobicContact CB-CB 4.3Å; L223-L249 HydrophobicContact CD1-CD2 4.21Å; L223-L249 HydrophobicContact CG-CD2 4.38Å; L223-L249 PolarHBondContact N-O 3.43Å; L223-L249 PolarHBondContact O-N 3.05Å; L249-L251 HydrophobicContact CD2-CD2 3.42Å; L249-L251 VanDerWaalsContact CD2-CD2 3.42Å; L249-L251 HydrophobicContact CD2-CG 4.22Å
250H94.5Very high88.8Confident25 Ų2546.2 Ų46.212%0.11623%0.227CC..EExtended strand (participates in β ladder)trans-96.9109.2-174.2-66.7-72.1000111.6L17 E19 S222 L248 S252 L253 M254L17-H250 PolarHBondContact O-N 3.21Å; E19-H250 IonicContact OE1-CD2 3.95Å; E19-H250 IonicContact OE1-CE1 2.84Å; E19-H250 PolarHBondContact OE1-CE1 3.48Å; E19-H250 IonicContact OE1-NE2 3.46Å; E19-H250 PolarHBondContact OE1-NE2 2.93Å; S222-H250 PolarHBondContact OG-ND1 3.05Å; L248-H250 VanDerWaalsContact CD2-CE1 3.43Å; L248-H250 WeakPolarHBondContact CD2-CE1 3.46Å; H250-S252 VanDerWaalsContact C-N 3.26Å; H250-S252 PolarHBondContact O-N 2.73Å; H250-L253 HydrophobicContact CB-CB 4.26Å; H250-L253 HydrophobicContact CB-CD1 4.15Å; H250-L253 HydrophobicContact CB-CG 4.17Å; H250-L253 PolarHBondContact O-N 2.92Å; H250-M254 PolarHBondContact O-N 3.23Å; H250-M254 VanDerWaalsContact O-N 3.16Å
251L95.8Very high90.2Very high2 Ų246.7 Ų46.71%0.0122%0.222CC..Hα-helixtrans-72.7-22.8176.6-59.3-176.5000112.1I210 L214 F221 L223 L249 L253 M254 R255I210-L251 HydrophobicContact CG2-CD2 3.95Å; L214-L251 HydrophobicContact CD2-CB 4.34Å; L214-L251 HydrophobicContact CG-CD2 4.44Å; F221-L251 HydrophobicContact CB-CB 4.25Å; F221-L251 HydrophobicContact CB-CD1 4.13Å; F221-L251 HydrophobicContact CD1-CD1 3.62Å; F221-L251 HydrophobicContact CD1-CG 4.44Å; F221-L251 HydrophobicContact CE1-CD1 4.29Å; F221-L251 HydrophobicContact CG-CD1 4.01Å; F221-L251 WeakPolarHBondContact O-CB 3.16Å; F221-L251 PolarHBondContact O-N 3.07Å; L223-L251 HydrophobicContact CD1-CD2 4.47Å; L223-L251 HydrophobicContact CG-CD1 4.42Å; L223-L251 HydrophobicContact CG-CG 4.48Å; L249-L251 HydrophobicContact CD2-CD2 3.42Å; L249-L251 VanDerWaalsContact CD2-CD2 3.42Å; L249-L251 HydrophobicContact CD2-CG 4.22Å; L251-L253 VanDerWaalsContact C-N 3.35Å; L251-L253 PolarHBondContact O-N 3.46Å; L251-M254 HydrophobicContact CD2-CB 4.42Å; L251-M254 WeakPolarHBondContact O-CB 3.22Å; L251-M254 PolarHBondContact O-N 2.79Å; L251-R255 VanDerWaalsContact O-CG 3.28Å; L251-R255 WeakPolarHBondContact O-CG 3.35Å; L251-R255 PolarHBondContact O-N 2.98Å
252S91.8Very high91.3Very high35 Ų3545.8 Ų45.825%0.24522%0.216CC..Hα-helixtrans-56-49169.453.70000111.7A219 H250 R255 E256A219-S252 WeakPolarHBondContact O-CB 3.47Å; H250-S252 VanDerWaalsContact C-N 3.26Å; H250-S252 PolarHBondContact O-N 2.73Å; S252-R255 PolarHBondContact O-N 2.82Å; S252-E256 PolarHBondContact O-N 3.22Å
253L93.1Very high92.2Very high54 Ų5443.6 Ų43.628%0.28321%0.211SC..Hα-helixtrans-68.5-34.7175.7-68.2179.1000112.1C16 L17 H250 L251 R255 E256 Y257C16-L253 WeakPolarHBondContact O-CD1 3.45Å; L17-L253 HydrophobicContact CD2-CB 4.13Å; H250-L253 HydrophobicContact CB-CB 4.26Å; H250-L253 HydrophobicContact CB-CD1 4.15Å; H250-L253 HydrophobicContact CB-CG 4.17Å; H250-L253 PolarHBondContact O-N 2.92Å; L251-L253 VanDerWaalsContact C-N 3.35Å; L251-L253 PolarHBondContact O-N 3.46Å; L253-R255 VanDerWaalsContact C-N 3.28Å; L253-R255 PolarHBondContact O-N 3.23Å; L253-E256 PolarHBondContact O-N 2.9Å; L253-Y257 VanDerWaalsContact O-CD2 3.25Å; L253-Y257 WeakPolarHBondContact O-CD2 3.38Å; L253-Y257 PolarHBondContact O-N 2.68Å
254M95.3Very high93.2Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-58.3-42.4174.2-173.563.1-176.200111.6I10 Y14 L17 L214 H250 L251 E256 Y257 I258 W282I10-M254 HydrophobicContact CG2-CE 4.48Å; Y14-M254 HydrophobicContact CD2-CE 4.14Å; Y14-M254 HydrophobicContact CD2-SD 3.81Å; Y14-M254 HydrophobicContact CE2-CE 3.8Å; Y14-M254 HydrophobicContact CE2-SD 4.02Å; L17-M254 HydrophobicContact CD1-SD 3.67Å; L17-M254 HydrophobicContact CD2-CB 3.78Å; L17-M254 HydrophobicContact CD2-SD 4.03Å; L17-M254 HydrophobicContact CG-SD 4.5Å; L214-M254 HydrophobicContact CD1-CG 4.12Å; L214-M254 HydrophobicContact CD2-CG 4.44Å; H250-M254 PolarHBondContact O-N 3.23Å; H250-M254 VanDerWaalsContact O-N 3.16Å; L251-M254 HydrophobicContact CD2-CB 4.42Å; L251-M254 WeakPolarHBondContact O-CB 3.22Å; L251-M254 PolarHBondContact O-N 2.79Å; M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 2.9Å; M254-Y257 PolarHBondContact O-N 2.87Å; M254-I258 HydrophobicContact CE-CD1 4.01Å; M254-I258 HydrophobicContact CE-CG1 4.12Å; M254-I258 HydrophobicContact CG-CD1 4.09Å; M254-I258 VanDerWaalsContact O-CG1 3.3Å; M254-I258 WeakPolarHBondContact O-CG1 3.39Å; M254-I258 PolarHBondContact O-N 3.2Å; M254-W282 HydrophobicContact CE-CH2 3.36Å; M254-W282 HydrophobicContact CE-CZ2 3.32Å; M254-W282 HydrophobicContact CE-CZ3 4.29Å
255R96Very high93.9Very high33 Ų3338 Ų3813%0.12519%0.191CC..Hα-helixtrans-62.2-41.2176.3-65.716976.4156.40.9111.8L214 H217 E218 L251 S252 L253 I258 D259 E276 I279L214-R255 HydrophobicContact CD2-CG 3.64Å; H217-R255 PolarHBondContact O-NH1 3.49Å; H217-R255 PolarHBondContact O-NH2 3.02Å; E218-R255 PolarHBondContact O-NH1 2.89Å; L251-R255 VanDerWaalsContact O-CG 3.28Å; L251-R255 WeakPolarHBondContact O-CG 3.35Å; L251-R255 PolarHBondContact O-N 2.98Å; S252-R255 PolarHBondContact O-N 2.82Å; L253-R255 VanDerWaalsContact C-N 3.28Å; L253-R255 PolarHBondContact O-N 3.23Å; R255-I258 PolarHBondContact O-N 2.97Å; R255-D259 PolarHBondContact O-N 2.83Å; R255-E276 IonicContact CZ-OE1 3.19Å; R255-E276 IonicContact CZ-OE2 2.68Å; R255-E276 IonicContact NE-OE2 3.48Å; R255-E276 IonicContact NH2-OE1 2.82Å; R255-E276 PolarHBondContact NH2-OE1 2.94Å; R255-E276 IonicContact NH2-OE2 3.05Å; R255-E276 PolarHBondContact NH2-OE2 3.45Å; R255-I279 HydrophobicContact CB-CD1 4.25Å; R255-I279 HydrophobicContact CG-CD1 3.78Å
256E94.1Very high94.4Very high128 Ų12840.1 Ų40.160%0.59820%0.196SC*.Hα-helixtrans-64.2-41.1175-66.6179.2-15700112.2S252 L253 M254 D259 Y260S252-E256 PolarHBondContact O-N 3.22Å; L253-E256 PolarHBondContact O-N 2.9Å; M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 2.9Å; E256-D259 PolarHBondContact O-N 2.96Å; E256-Y260 WeakPolarHBondContact O-CB 3.44Å; E256-Y260 PolarHBondContact O-N 3.1Å
257Y95.9Very high94.6Very high58 Ų5848.5 Ų48.523%0.22724%0.235CC..Hα-helixtrans-64.3-40.6174.7-84.8-65.7000112.3Y14 C16 L17 L253 M254 Y260 E261Y14-Y257 AromaticContact CD1-CD1 3.46Å; Y14-Y257 HydrophobicContact CD1-CD1 3.46Å; Y14-Y257 VanDerWaalsContact CD1-CD1 3.46Å; Y14-Y257 HydrophobicContact CD1-CD2 4.32Å; Y14-Y257 HydrophobicContact CD1-CE1 4.09Å; Y14-Y257 AromaticContact CD1-CG 3.6Å; Y14-Y257 HydrophobicContact CD1-CG 3.6Å; Y14-Y257 HydrophobicContact CE1-CD1 4.13Å; Y14-Y257 HydrophobicContact CE1-CG 4.27Å; Y14-Y257 HydrophobicContact CG-CD1 4.15Å; Y14-Y257 HydrophobicContact CG-CD2 4.2Å; Y14-Y257 AromaticContact CG-CG 3.89Å; Y14-Y257 HydrophobicContact CG-CG 3.89Å; C16-Y257 HydrophobicContact CB-CE2 4.36Å; C16-Y257 WeakPolarHBondContact CB-OH 3.31Å; L17-Y257 HydrophobicContact CD2-CD2 3.8Å; L17-Y257 HydrophobicContact CD2-CE2 4.2Å; L17-Y257 HydrophobicContact CG-CD2 4.36Å; L17-Y257 HydrophobicContact CG-CE2 4.47Å; L253-Y257 VanDerWaalsContact O-CD2 3.25Å; L253-Y257 WeakPolarHBondContact O-CD2 3.38Å; L253-Y257 PolarHBondContact O-N 2.68Å; M254-Y257 PolarHBondContact O-N 2.87Å; Y257-Y260 PolarHBondContact O-N 3.3Å; Y257-E261 WeakPolarHBondContact O-CB 3.48Å; Y257-E261 PolarHBondContact O-N 2.75Å
258I96.2Very high94.7Very high0 Ų052.5 Ų52.50%025%0.252CS..Hα-helixtrans-62.4-47.1174.1-67.9167.6000110L214 M254 R255 Y260 E261 F262 I275 I278 I279 W282L214-I258 HydrophobicContact CD1-CD1 4.19Å; M254-I258 HydrophobicContact CE-CD1 4.01Å; M254-I258 HydrophobicContact CE-CG1 4.12Å; M254-I258 HydrophobicContact CG-CD1 4.09Å; M254-I258 VanDerWaalsContact O-CG1 3.3Å; M254-I258 WeakPolarHBondContact O-CG1 3.39Å; M254-I258 PolarHBondContact O-N 3.2Å; R255-I258 PolarHBondContact O-N 2.97Å; I258-Y260 VanDerWaalsContact C-N 3.25Å; I258-Y260 PolarHBondContact O-N 3.41Å; I258-E261 PolarHBondContact O-N 3.45Å; I258-F262 HydrophobicContact CG2-CD2 3.81Å; I258-F262 HydrophobicContact CG2-CE2 4.1Å; I258-F262 VanDerWaalsContact O-CD2 3.27Å; I258-F262 WeakPolarHBondContact O-CD2 3.47Å; I258-F262 PolarHBondContact O-N 3.26Å; I258-I275 HydrophobicContact CG2-CD1 4.15Å; I258-I278 HydrophobicContact CG2-CG2 3.96Å; I258-I279 HydrophobicContact CD1-CG1 4.26Å; I258-I279 HydrophobicContact CG2-CG1 4.13Å; I258-W282 HydrophobicContact CD1-CD2 3.94Å; I258-W282 HydrophobicContact CD1-CE3 4.04Å; I258-W282 HydrophobicContact CD1-CG 4.36Å; I258-W282 HydrophobicContact CD1-CZ3 4.36Å; I258-W282 HydrophobicContact CG1-CD2 4.47Å
259D96.3Very high94.8Very high48 Ų4853.3 Ų53.326%0.25726%0.256SS..Hα-helixtrans-58.3-39.6176.9-174.448.5000111.9R255 E256 S263 K266 Y273 I275R255-D259 PolarHBondContact O-N 2.83Å; E256-D259 PolarHBondContact O-N 2.96Å; D259-S263 WeakPolarHBondContact O-CA 3.45Å; D259-S263 WeakPolarHBondContact O-CB 3.22Å; D259-S263 PolarHBondContact O-N 2.78Å; D259-K266 WeakPolarHBondContact OD1-CE 3.36Å; D259-K266 IonicContact OD1-NZ 2.9Å; D259-K266 PolarHBondContact OD1-NZ 2.86Å; D259-K266 IonicContact OD2-NZ 3.05Å; D259-K266 PolarHBondContact OD2-NZ 2.75Å; D259-Y273 WeakPolarHBondContact OD1-CE1 3.26Å; D259-Y273 PolarHBondContact OD1-OH 3.46Å; D259-Y273 VanDerWaalsContact OD1-OH 3.1Å; D259-I275 HydrophobicContact CB-CD1 3.69Å; D259-I275 HydrophobicContact CB-CG1 4.28Å
260Y95Very high94.7Very high177 Ų17759.1 Ų59.169%0.69429%0.292SS*.Hα-helixtrans-66.3-47.3175.9-176.8-100.7000112.4E256 Y257 I258 F262 S263E256-Y260 WeakPolarHBondContact O-CB 3.44Å; E256-Y260 PolarHBondContact O-N 3.1Å; Y257-Y260 PolarHBondContact O-N 3.3Å; I258-Y260 VanDerWaalsContact C-N 3.25Å; I258-Y260 PolarHBondContact O-N 3.41Å; Y260-F262 VanDerWaalsContact C-N 3.28Å; Y260-F262 PolarHBondContact O-N 2.84Å; Y260-S263 VanDerWaalsContact O-CB 3.26Å; Y260-S263 WeakPolarHBondContact O-CB 3.23Å; Y260-S263 PolarHBondContact O-N 3.3Å; Y260-S263 PolarHBondContact O-OG 2.89Å
261E95.1Very high94.7Very high51 Ų5160.1 Ų60.124%0.23830%0.297CS..Hα-helixtrans-58.3-39.8179.7-170.176.9-13000111.6R13 Y14 Y257 I258 Y311R13-E261 IonicContact CZ-OE1 2.69Å; R13-E261 IonicContact CZ-OE2 3.98Å; R13-E261 IonicContact NE-OE1 2.68Å; R13-E261 IonicContact NE-OE2 3.03Å; R13-E261 PolarHBondContact NE-OE2 2.92Å; R13-E261 IonicContact NH2-OE1 2.7Å; R13-E261 PolarHBondContact NH2-OE1 3.42Å; R13-E261 IonicContact NH2-OE2 2.89Å; R13-E261 PolarHBondContact NH2-OE2 3.03Å; Y14-E261 PolarHBondContact OH-OE2 2.86Å; Y257-E261 WeakPolarHBondContact O-CB 3.48Å; Y257-E261 PolarHBondContact O-N 2.75Å; I258-E261 PolarHBondContact O-N 3.45Å; E261-Y311 HydrophobicContact CG-CD2 4.08Å; E261-Y311 HydrophobicContact CG-CE2 4.45Å
262F96.9Very high94.6Very high0 Ų068.1 Ų68.10%033%0.331CS..THydrogen-bonded Turntrans-98.610.1-179.5-66.2-74.8000113.8I258 Y260 A264 L265 I278 W282 M285 Y311 Y314 I315I258-F262 HydrophobicContact CG2-CD2 3.81Å; I258-F262 HydrophobicContact CG2-CE2 4.1Å; I258-F262 VanDerWaalsContact O-CD2 3.27Å; I258-F262 WeakPolarHBondContact O-CD2 3.47Å; I258-F262 PolarHBondContact O-N 3.26Å; Y260-F262 VanDerWaalsContact C-N 3.28Å; Y260-F262 PolarHBondContact O-N 2.84Å; F262-A264 PolarHBondContact O-N 3.13Å; F262-L265 HydrophobicContact CB-CD1 4.17Å; F262-L265 HydrophobicContact CD1-CD1 3.97Å; F262-L265 WeakPolarHBondContact O-CB 3.37Å; F262-L265 PolarHBondContact O-N 2.78Å; F262-I278 HydrophobicContact CB-CG2 3.88Å; F262-I278 HydrophobicContact CD2-CG2 3.61Å; F262-I278 HydrophobicContact CE2-CG2 4.35Å; F262-I278 HydrophobicContact CG-CG2 3.76Å; F262-W282 AromaticContact CE2-CD1 3.65Å; F262-W282 HydrophobicContact CE2-CG 4.47Å; F262-W282 AromaticContact CZ-CD1 3.97Å; F262-M285 HydrophobicContact CE1-CE 4.17Å; F262-M285 HydrophobicContact CZ-CE 3.74Å; F262-Y311 HydrophobicContact CE1-CG 4.35Å; F262-Y311 AromaticContact CZ-CD1 3.87Å; F262-Y311 HydrophobicContact CZ-CD1 3.87Å; F262-Y311 HydrophobicContact CZ-CD2 4.25Å; F262-Y311 HydrophobicContact CZ-CE1 4.47Å; F262-Y311 AromaticContact CZ-CG 3.78Å; F262-Y311 HydrophobicContact CZ-CG 3.78Å; F262-Y314 HydrophobicContact CD1-CD1 4Å; F262-Y314 HydrophobicContact CD1-CE1 4.27Å; F262-Y314 AromaticContact CE1-CD1 3.73Å; F262-Y314 HydrophobicContact CE1-CD1 3.73Å; F262-Y314 HydrophobicContact CE1-CE1 4.31Å; F262-I315 HydrophobicContact CD1-CD1 4.01Å; F262-I315 HydrophobicContact CD1-CG1 3.75Å; F262-I315 HydrophobicContact CE1-CD1 4.16Å; F262-I315 HydrophobicContact CE1-CG1 4Å
263S94.5Very high94.9Very high47 Ų4768.5 Ų68.533%0.32933%0.328SS..THydrogen-bonded Turntrans-59.9-32-175.159.70000113.5D259 Y260 L265 K266D259-S263 WeakPolarHBondContact O-CA 3.45Å; D259-S263 WeakPolarHBondContact O-CB 3.22Å; D259-S263 PolarHBondContact O-N 2.78Å; Y260-S263 VanDerWaalsContact O-CB 3.26Å; Y260-S263 WeakPolarHBondContact O-CB 3.23Å; Y260-S263 PolarHBondContact O-N 3.3Å; Y260-S263 PolarHBondContact O-OG 2.89Å; S263-L265 PolarHBondContact O-N 2.79Å; S263-L265 VanDerWaalsContact O-N 3.1Å; S263-K266 VanDerWaalsContact O-CB 3.28Å; S263-K266 WeakPolarHBondContact O-CB 3.41Å; S263-K266 WeakPolarHBondContact O-CG 3.35Å; S263-K266 PolarHBondContact O-N 3.09Å
264A94.7Very high95Very high47 Ų4768.5 Ų68.539%0.38833%0.328SS..THydrogen-bonded Turntrans-60-20.9176.600000113.4F262 K266 K268F262-A264 PolarHBondContact O-N 3.13Å; A264-K266 VanDerWaalsContact C-N 3.32Å; A264-K268 WeakPolarHBondContact O-CG 3.46Å
265L94.9Very high95Very high0 Ų070.3 Ų70.30%034%0.337CS..Hα-helixtrans-72-25.9176-73.3168.5000112.6F262 S263 E267 K268 I269 Y273 I278 Y314 I315 L318 P319F262-L265 HydrophobicContact CB-CD1 4.17Å; F262-L265 HydrophobicContact CD1-CD1 3.97Å; F262-L265 WeakPolarHBondContact O-CB 3.37Å; F262-L265 PolarHBondContact O-N 2.78Å; S263-L265 PolarHBondContact O-N 2.79Å; S263-L265 VanDerWaalsContact O-N 3.1Å; L265-E267 PolarHBondContact O-N 2.85Å; L265-E267 VanDerWaalsContact O-N 3.09Å; L265-K268 PolarHBondContact O-N 2.82Å; L265-I269 HydrophobicContact CB-CG2 4.23Å; L265-I269 HydrophobicContact CD2-CG2 3.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.36Å; L265-I269 PolarHBondContact O-N 3.11Å; L265-Y273 HydrophobicContact CB-CD2 4.41Å; L265-Y273 HydrophobicContact CB-CE2 4.17Å; L265-I278 HydrophobicContact CD1-CD1 4.05Å; L265-Y314 HydrophobicContact CD1-CD1 4.2Å; L265-Y314 HydrophobicContact CD1-CE1 3.86Å; L265-I315 HydrophobicContact CD1-CG1 4.25Å; L265-I315 HydrophobicContact CD2-CG2 4.34Å; L265-I315 HydrophobicContact CG-CG1 4.36Å; L265-L318 HydrophobicContact CD1-CD2 3.62Å; L265-L318 HydrophobicContact CD2-CB 4.18Å; L265-L318 HydrophobicContact CD2-CD2 4.04Å; L265-L318 HydrophobicContact CG-CD2 4.35Å; L265-P319 HydrophobicContact CD2-CG 4.3Å
266K94.6Very high95Very high95 Ų9571.4 Ų71.441%0.41334%0.343SS..Hα-helixtrans-56.1-30-178.8-66.6175.5179.7173.80112.6D259 S263 A264 Y273D259-K266 WeakPolarHBondContact OD1-CE 3.36Å; D259-K266 IonicContact OD1-NZ 2.9Å; D259-K266 PolarHBondContact OD1-NZ 2.86Å; D259-K266 IonicContact OD2-NZ 3.05Å; D259-K266 PolarHBondContact OD2-NZ 2.75Å; S263-K266 VanDerWaalsContact O-CB 3.28Å; S263-K266 WeakPolarHBondContact O-CB 3.41Å; S263-K266 WeakPolarHBondContact O-CG 3.35Å; S263-K266 PolarHBondContact O-N 3.09Å; A264-K266 VanDerWaalsContact C-N 3.32Å; K266-Y273 HydrophobicContact CB-CD2 4.48Å; K266-Y273 HydrophobicContact CD-CD1 4.43Å; K266-Y273 HydrophobicContact CD-CE1 4.37Å; K266-Y273 HydrophobicContact CG-CD1 3.96Å; K266-Y273 HydrophobicContact CG-CD2 3.62Å; K266-Y273 HydrophobicContact CG-CE1 4.13Å; K266-Y273 HydrophobicContact CG-CE2 3.79Å; K266-Y273 HydrophobicContact CG-CG 3.71Å
267E93.3Very high95.2Very high185 Ų18567.7 Ų67.786%0.86433%0.325SS*.Hα-helixtrans-96.3-18.9178.4-60.8-177.1173.700113.6L265L265-E267 PolarHBondContact O-N 2.85Å; L265-E267 VanDerWaalsContact O-N 3.09Å
268K93.4Very high95.3Very high114 Ų11464.9 Ų64.950%0.49632%0.315SS..Hα-helixtrans-95.4-33-172.8-68.3179.7180-176.40114.1A264 L265 P319A264-K268 WeakPolarHBondContact O-CG 3.46Å; L265-K268 PolarHBondContact O-N 2.82Å; K268-P319 HydrophobicContact CB-CG 3.84Å
269I94.8Very high95.3Very high19 Ų1964.9 Ų64.910%0.09732%0.315CS..  trans-80.5148.4-175.166.9178.5000111.6L265 F271 Y273 L318 P319L265-I269 HydrophobicContact CB-CG2 4.23Å; L265-I269 HydrophobicContact CD2-CG2 3.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.36Å; L265-I269 PolarHBondContact O-N 3.11Å; I269-F271 HydrophobicContact CB-CD1 4.29Å; I269-F271 HydrophobicContact CB-CE1 4.03Å; I269-F271 HydrophobicContact CB-CZ 4.23Å; I269-F271 HydrophobicContact CD1-CD2 4.11Å; I269-F271 HydrophobicContact CD1-CE2 3.91Å; I269-F271 HydrophobicContact CD1-CZ 4.27Å; I269-F271 WeakPolarHBondContact CD1-O 3.4Å; I269-F271 WeakPolarHBondContact CG1-O 3.21Å; I269-F271 HydrophobicContact CG2-CE1 4.3Å; I269-F271 HydrophobicContact CG2-CZ 4.23Å; I269-Y273 HydrophobicContact CD1-CD2 4Å; I269-Y273 HydrophobicContact CD1-CG 4.45Å; I269-L318 HydrophobicContact CG2-CD2 4Å; I269-L318 HydrophobicContact CG2-CG 4.21Å; I269-P319 HydrophobicContact CG2-CG 4.33Å
270T91.9Very high95.4Very high124 Ų12462.7 Ų62.776%0.76130%0.303SS*.SBendtrans-91.9-4.6-179.554.30000113.6
271F94.6Very high95.5Very high46 Ų4654.3 Ų54.320%0.20227%0.27CS..SBendtrans-116.9169.8179.457-89.2000111.3I269 Y273 L318 G323 Y324I269-F271 HydrophobicContact CB-CD1 4.29Å; I269-F271 HydrophobicContact CB-CE1 4.03Å; I269-F271 HydrophobicContact CB-CZ 4.23Å; I269-F271 HydrophobicContact CD1-CD2 4.11Å; I269-F271 HydrophobicContact CD1-CE2 3.91Å; I269-F271 HydrophobicContact CD1-CZ 4.27Å; I269-F271 WeakPolarHBondContact CD1-O 3.4Å; I269-F271 WeakPolarHBondContact CG1-O 3.21Å; I269-F271 HydrophobicContact CG2-CE1 4.3Å; I269-F271 HydrophobicContact CG2-CZ 4.23Å; F271-Y273 PolarHBondContact O-N 2.96Å; F271-L318 HydrophobicContact CZ-CD1 4.07Å; F271-L318 HydrophobicContact CZ-CD2 4.32Å; F271-L318 HydrophobicContact CZ-CG 4Å; F271-G323 VanDerWaalsContact CE1-N 3.27Å; F271-Y324 HydrophobicContact CD2-CE2 4.06Å; F271-Y324 HydrophobicContact CE2-CD1 4.4Å; F271-Y324 HydrophobicContact CE2-CD2 4.1Å; F271-Y324 AromaticContact CE2-CE1 3.99Å; F271-Y324 HydrophobicContact CE2-CE1 3.99Å; F271-Y324 AromaticContact CE2-CE2 3.65Å; F271-Y324 HydrophobicContact CE2-CE2 3.65Å; F271-Y324 HydrophobicContact CE2-CG 4.44Å; F271-Y324 AromaticContact CE2-CZ 3.6Å
272K94.8Very high95.6Very high170 Ų17052 Ų5274%0.73926%0.259SS*.  trans-62.6124.2-176.6-177.3-170.7173.3-160.80110.8Y324K272-Y324 PolarHBondContact O-OH 3.44Å; K272-Y324 VanDerWaalsContact O-OH 3.13Å
273Y96.8Very high95.6Very high43 Ų4352 Ų5217%0.16926%0.259CS..  trans-68128.5169.5-172.7-86.7000111D259 L265 K266 I269 F271 I275 I278 Y324D259-Y273 WeakPolarHBondContact OD1-CE1 3.26Å; D259-Y273 PolarHBondContact OD1-OH 3.46Å; D259-Y273 VanDerWaalsContact OD1-OH 3.1Å; L265-Y273 HydrophobicContact CB-CD2 4.41Å; L265-Y273 HydrophobicContact CB-CE2 4.17Å; K266-Y273 HydrophobicContact CB-CD2 4.48Å; K266-Y273 HydrophobicContact CD-CD1 4.43Å; K266-Y273 HydrophobicContact CD-CE1 4.37Å; K266-Y273 HydrophobicContact CG-CD1 3.96Å; K266-Y273 HydrophobicContact CG-CD2 3.62Å; K266-Y273 HydrophobicContact CG-CE1 4.13Å; K266-Y273 HydrophobicContact CG-CE2 3.79Å; K266-Y273 HydrophobicContact CG-CG 3.71Å; I269-Y273 HydrophobicContact CD1-CD2 4Å; I269-Y273 HydrophobicContact CD1-CG 4.45Å; F271-Y273 PolarHBondContact O-N 2.96Å; Y273-I275 HydrophobicContact CE1-CB 4.46Å; Y273-I278 HydrophobicContact CE2-CD1 4.12Å; Y273-I278 HydrophobicContact CE2-CG1 3.87Å; Y273-Y324 WeakPolarHBondContact CA-OH 3.48Å
274D96.4Very high95.7Very high53 Ų5349.9 Ų49.928%0.28324%0.244SC..  trans-137118.7177.7-165.8-33.1000109.4E276 K277 I278 Y324D274-E276 VanDerWaalsContact C-N 3.31Å; D274-E276 PolarHBondContact O-N 3.37Å; D274-E276 PolarHBondContact OD1-N 2.84Å; D274-K277 HydrophobicContact CB-CB 4.24Å; D274-K277 HydrophobicContact CB-CG 4.01Å; D274-K277 PolarHBondContact O-N 3.29Å; D274-I278 WeakPolarHBondContact O-CG1 3.32Å; D274-I278 PolarHBondContact O-N 3.44Å; D274-I278 VanDerWaalsContact O-N 3.15Å; D274-Y324 HydrophobicContact CB-CE2 4.44Å; D274-Y324 PolarHBondContact N-OH 3.06Å
275I95.8Very high95.8Very high39 Ų3947.8 Ų47.820%0.223%0.226CC..Hα-helixtrans-65.2-33.9-177.7-178.755.8000112I258 D259 Y273 K277 I278 I279I258-I275 HydrophobicContact CG2-CD1 4.15Å; D259-I275 HydrophobicContact CB-CD1 3.69Å; D259-I275 HydrophobicContact CB-CG1 4.28Å; Y273-I275 HydrophobicContact CE1-CB 4.46Å; I275-K277 PolarHBondContact O-N 2.91Å; I275-I278 HydrophobicContact CD1-CB 4.38Å; I275-I278 HydrophobicContact CD1-CG2 4.48Å; I275-I278 PolarHBondContact O-N 3.36Å; I275-I279 HydrophobicContact CD1-CD1 4.28Å; I275-I279 HydrophobicContact CD1-CG1 4.22Å; I275-I279 HydrophobicContact CG1-CD1 3.94Å; I275-I279 HydrophobicContact CG1-CG1 4.38Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 3.16Å
276E95.9Very high95.7Very high55 Ų5547.9 Ų47.926%0.25723%0.227SC..Hα-helixtrans-66.3-35.3-179.2-49.8-48.115800110.6H217 R255 D274 I279 D280H217-E276 PolarHBondContact CE1-O 2.89Å; H217-E276 IonicContact CE1-OE2 2.96Å; H217-E276 IonicContact CG-OE2 2.77Å; H217-E276 IonicContact ND1-OE2 2.71Å; H217-E276 PolarHBondContact ND1-OE2 2.89Å; R255-E276 IonicContact CZ-OE1 3.19Å; R255-E276 IonicContact CZ-OE2 2.68Å; R255-E276 IonicContact NE-OE2 3.48Å; R255-E276 IonicContact NH2-OE1 2.82Å; R255-E276 PolarHBondContact NH2-OE1 2.94Å; R255-E276 IonicContact NH2-OE2 3.05Å; R255-E276 PolarHBondContact NH2-OE2 3.45Å; D274-E276 VanDerWaalsContact C-N 3.31Å; D274-E276 PolarHBondContact O-N 3.37Å; D274-E276 PolarHBondContact OD1-N 2.84Å; E276-I279 PolarHBondContact O-N 2.81Å; E276-D280 VanDerWaalsContact O-CG 3.27Å; E276-D280 PolarHBondContact O-N 3.18Å
277K97Very high95.7Very high50 Ų5043.4 Ų43.422%0.21721%0.208CC..Hα-helixtrans-74.9-31.9176-59.9-60.9-178.4178.40113.2D274 I275 D280 D281 Y324 S328D274-K277 HydrophobicContact CB-CB 4.24Å; D274-K277 HydrophobicContact CB-CG 4.01Å; D274-K277 PolarHBondContact O-N 3.29Å; I275-K277 PolarHBondContact O-N 2.91Å; K277-D280 IonicContact NZ-OD2 2.77Å; K277-D280 WeakPolarHBondContact O-CB 3.33Å; K277-D280 PolarHBondContact O-N 3.1Å; K277-D281 PolarHBondContact O-N 3.34Å; K277-Y324 HydrophobicContact CB-CD1 3.6Å; K277-Y324 HydrophobicContact CB-CD2 3.48Å; K277-Y324 VanDerWaalsContact CB-CD2 3.48Å; K277-Y324 HydrophobicContact CB-CE1 3.63Å; K277-Y324 HydrophobicContact CB-CE2 3.51Å; K277-Y324 HydrophobicContact CB-CG 3.52Å; K277-Y324 HydrophobicContact CD-CD2 4.49Å; K277-Y324 HydrophobicContact CG-CD2 3.79Å; K277-Y324 HydrophobicContact CG-CE2 3.82Å; K277-Y324 HydrophobicContact CG-CG 4.27Å; K277-S328 PolarHBondContact NZ-OG 3.11Å
278I97.6Very high95.7Very high0 Ų034.6 Ų34.60%017%0.167CC..Hα-helixtrans-66-41.3170.1-65.8-69.5000110.4I258 F262 L265 Y273 D274 I275 D280 D281 W282 Y314 L318 Y324I258-I278 HydrophobicContact CG2-CG2 3.96Å; F262-I278 HydrophobicContact CB-CG2 3.88Å; F262-I278 HydrophobicContact CD2-CG2 3.61Å; F262-I278 HydrophobicContact CE2-CG2 4.35Å; F262-I278 HydrophobicContact CG-CG2 3.76Å; L265-I278 HydrophobicContact CD1-CD1 4.05Å; Y273-I278 HydrophobicContact CE2-CD1 4.12Å; Y273-I278 HydrophobicContact CE2-CG1 3.87Å; D274-I278 WeakPolarHBondContact O-CG1 3.32Å; D274-I278 PolarHBondContact O-N 3.44Å; D274-I278 VanDerWaalsContact O-N 3.15Å; I275-I278 HydrophobicContact CD1-CB 4.38Å; I275-I278 HydrophobicContact CD1-CG2 4.48Å; I275-I278 PolarHBondContact O-N 3.36Å; I278-D280 VanDerWaalsContact C-N 3.33Å; I278-D281 PolarHBondContact O-N 2.92Å; I278-W282 VanDerWaalsContact O-CB 3.24Å; I278-W282 WeakPolarHBondContact O-CB 3.35Å; I278-W282 PolarHBondContact O-N 2.85Å; I278-Y314 HydrophobicContact CD1-CE1 3.98Å; I278-L318 HydrophobicContact CD1-CD2 4.13Å; I278-Y324 HydrophobicContact CD1-CD1 4.5Å; I278-Y324 HydrophobicContact CD1-CE1 3.8Å; I278-Y324 HydrophobicContact CG1-CE1 4.09Å
279I97.6Very high95.6Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-61.9-43.3173.8-69.8163.2000110.1L214 R255 I258 I275 E276 D281 W282 I283L214-I279 HydrophobicContact CB-CG2 4.01Å; R255-I279 HydrophobicContact CB-CD1 4.25Å; R255-I279 HydrophobicContact CG-CD1 3.78Å; I258-I279 HydrophobicContact CD1-CG1 4.26Å; I258-I279 HydrophobicContact CG2-CG1 4.13Å; I275-I279 HydrophobicContact CD1-CD1 4.28Å; I275-I279 HydrophobicContact CD1-CG1 4.22Å; I275-I279 HydrophobicContact CG1-CD1 3.94Å; I275-I279 HydrophobicContact CG1-CG1 4.38Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 3.16Å; E276-I279 PolarHBondContact O-N 2.81Å; I279-D281 VanDerWaalsContact C-N 3.34Å; I279-D281 PolarHBondContact O-N 3.37Å; I279-W282 WeakPolarHBondContact O-CB 3.42Å; I279-W282 PolarHBondContact O-N 3.5Å; I279-W282 VanDerWaalsContact O-N 3.14Å; I279-I283 HydrophobicContact CG2-CD1 3.73Å; I279-I283 HydrophobicContact CG2-CG1 4.42Å; I279-I283 WeakPolarHBondContact O-CD1 3.39Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 2.95Å
280D97.8Very high95.2Very high1 Ų128.6 Ų28.61%0.00514%0.141CC..Hα-helixtrans-56.4-46.5176.3-73.4-9000111.7H217 E276 K277 I278 L284 N326 S328 Y471H217-D280 IonicContact CE1-OD1 2.65Å; H217-D280 PolarHBondContact CE1-OD1 3.01Å; H217-D280 IonicContact NE2-OD1 3.24Å; H217-D280 PolarHBondContact NE2-OD1 3.25Å; E276-D280 VanDerWaalsContact O-CG 3.27Å; E276-D280 PolarHBondContact O-N 3.18Å; K277-D280 IonicContact NZ-OD2 2.77Å; K277-D280 WeakPolarHBondContact O-CB 3.33Å; K277-D280 PolarHBondContact O-N 3.1Å; I278-D280 VanDerWaalsContact C-N 3.33Å; D280-L284 PolarHBondContact O-N 3.02Å; D280-N326 HydrophobicContact CB-CB 4.25Å; D280-N326 PolarHBondContact O-ND2 3.07Å; D280-S328 PolarHBondContact OD2-N 3.44Å; D280-Y471 WeakPolarHBondContact CA-OH 3.07Å; D280-Y471 VanDerWaalsContact OD1-CE1 3.27Å; D280-Y471 WeakPolarHBondContact OD1-CE1 3.4Å; D280-Y471 PolarHBondContact OD1-OH 3.47Å
281D98.1Very high95.2Very high2 Ų223.1 Ų23.11%0.01111%0.107CC..Hα-helixtrans-69.9-33.5176.4-77.7-13000112.4K277 I278 I279 L284 M285 Y314 I325 N326K277-D281 PolarHBondContact O-N 3.34Å; I278-D281 PolarHBondContact O-N 2.92Å; I279-D281 VanDerWaalsContact C-N 3.34Å; I279-D281 PolarHBondContact O-N 3.37Å; D281-L284 WeakPolarHBondContact O-CB 3.35Å; D281-L284 PolarHBondContact O-N 2.87Å; D281-M285 WeakPolarHBondContact O-CG 3.08Å; D281-M285 PolarHBondContact O-N 3.32Å; D281-Y314 HydrophobicContact CB-CE2 3.71Å; D281-Y314 WeakPolarHBondContact CB-OH 3.32Å; D281-Y314 VanDerWaalsContact OD2-CE2 3.26Å; D281-Y314 WeakPolarHBondContact OD2-CE2 2.97Å; D281-Y314 VanDerWaalsContact OD2-CZ 3.28Å; D281-Y314 PolarHBondContact OD2-OH 2.85Å; D281-I325 WeakPolarHBondContact OD1-CA 3.41Å; D281-I325 WeakPolarHBondContact OD1-CB 3.47Å; D281-I325 PolarHBondContact OD1-N 2.69Å; D281-I325 VanDerWaalsContact OD1-N 3.08Å; D281-I325 PolarHBondContact OD2-N 2.91Å; D281-N326 VanDerWaalsContact OD1-CB 3.32Å; D281-N326 WeakPolarHBondContact OD1-CB 3.31Å; D281-N326 PolarHBondContact OD1-N 3.1Å
282W97.2Very high94.9Very high2 Ų221.7 Ų21.71%0.00810%0.101CC..Hα-helixtrans-66.3-38.9175.8-176.887.5000112.6F6 M211 L214 M254 I258 F262 I278 I279 L284 M285 G286 Y311F6-W282 HydrophobicContact CE1-CH2 4.24Å; F6-W282 AromaticContact CZ-CH2 3.54Å; F6-W282 HydrophobicContact CZ-CH2 3.54Å; F6-W282 AromaticContact CZ-CZ2 3.85Å; F6-W282 HydrophobicContact CZ-CZ2 3.85Å; M211-W282 HydrophobicContact CE-CH2 3.91Å; M211-W282 HydrophobicContact CE-CZ3 3.82Å; M211-W282 HydrophobicContact SD-CE3 4.05Å; M211-W282 HydrophobicContact SD-CH2 3.99Å; M211-W282 HydrophobicContact SD-CZ3 3.34Å; M211-W282 WeakPolarHBondContact SD-CZ3 3.01Å; L214-W282 HydrophobicContact CD1-CE3 4.12Å; L214-W282 HydrophobicContact CD1-CH2 4.18Å; L214-W282 HydrophobicContact CD1-CZ3 3.48Å; L214-W282 VanDerWaalsContact CD1-CZ3 3.48Å; M254-W282 HydrophobicContact CE-CH2 3.36Å; M254-W282 HydrophobicContact CE-CZ2 3.32Å; M254-W282 HydrophobicContact CE-CZ3 4.29Å; I258-W282 HydrophobicContact CD1-CD2 3.94Å; I258-W282 HydrophobicContact CD1-CE3 4.04Å; I258-W282 HydrophobicContact CD1-CG 4.36Å; I258-W282 HydrophobicContact CD1-CZ3 4.36Å; I258-W282 HydrophobicContact CG1-CD2 4.47Å; F262-W282 AromaticContact CE2-CD1 3.65Å; F262-W282 HydrophobicContact CE2-CG 4.47Å; F262-W282 AromaticContact CZ-CD1 3.97Å; I278-W282 VanDerWaalsContact O-CB 3.24Å; I278-W282 WeakPolarHBondContact O-CB 3.35Å; I278-W282 PolarHBondContact O-N 2.85Å; I279-W282 WeakPolarHBondContact O-CB 3.42Å; I279-W282 PolarHBondContact O-N 3.5Å; I279-W282 VanDerWaalsContact O-N 3.14Å; W282-L284 VanDerWaalsContact C-N 3.35Å; W282-M285 HydrophobicContact CB-CE 4.17Å; W282-M285 WeakPolarHBondContact O-CB 3.15Å; W282-M285 PolarHBondContact O-N 3.29Å; W282-G286 PolarHBondContact O-N 2.94Å; W282-Y311 AromaticContact CD1-CE1 3.59Å; W282-Y311 AromaticContact CD1-CZ 3.8Å; W282-Y311 AromaticContact NE1-CE1 3.41Å; W282-Y311 AromaticContact NE1-CZ 3.17Å; W282-Y311 PolarHBondContact NE1-OH 3.36Å
283I96.4Very high94.7Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-63.1-42.8173-69.4155.7000110.5M211 L214 T215 I279 M285 G286 F287 Y471M211-I283 HydrophobicContact SD-CG1 4.17Å; L214-I283 HydrophobicContact CB-CD1 4.19Å; T215-I283 HydrophobicContact CG2-CD1 3.58Å; T215-I283 HydrophobicContact CG2-CG1 4.46Å; T215-I283 HydrophobicContact CG2-CG2 4.23Å; I279-I283 HydrophobicContact CG2-CD1 3.73Å; I279-I283 HydrophobicContact CG2-CG1 4.42Å; I279-I283 WeakPolarHBondContact O-CD1 3.39Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 2.95Å; I283-M285 PolarHBondContact O-N 3.1Å; I283-G286 WeakPolarHBondContact O-CA 3.32Å; I283-G286 PolarHBondContact O-N 2.82Å; I283-G286 VanDerWaalsContact O-N 3.09Å; I283-F287 HydrophobicContact CG2-CD2 4.21Å; I283-F287 HydrophobicContact CG2-CE1 4.23Å; I283-F287 HydrophobicContact CG2-CE2 3.54Å; I283-F287 HydrophobicContact CG2-CZ 3.54Å; I283-F287 PolarHBondContact O-N 3.24Å; I283-Y471 WeakPolarHBondContact CD1-OH 3.12Å; I283-Y471 HydrophobicContact CG2-CE2 4.49Å
284L96.9Very high94.5Very high2 Ų212.6 Ų12.61%0.016%0.063CC..Hα-helixtrans-58.4-45.7174.2169.762000111.5D280 D281 W282 G286 F287 L288 I325 N326 L331 F336 I463 L467D280-L284 PolarHBondContact O-N 3.02Å; D281-L284 WeakPolarHBondContact O-CB 3.35Å; D281-L284 PolarHBondContact O-N 2.87Å; W282-L284 VanDerWaalsContact C-N 3.35Å; L284-G286 VanDerWaalsContact C-N 3.26Å; L284-G286 PolarHBondContact O-N 3.33Å; L284-F287 PolarHBondContact O-N 2.84Å; L284-F287 VanDerWaalsContact O-N 3.14Å; L284-L288 PolarHBondContact O-N 3.25Å; L284-I325 HydrophobicContact CD2-CB 4.18Å; L284-I325 HydrophobicContact CD2-CG2 3.53Å; L284-N326 HydrophobicContact CD2-CB 4.38Å; L284-L331 HydrophobicContact CD1-CD2 4.12Å; L284-L331 HydrophobicContact CD2-CD2 3.76Å; L284-F336 HydrophobicContact CD1-CE2 4.29Å; L284-F336 HydrophobicContact CD1-CZ 4.42Å; L284-F336 HydrophobicContact CD2-CD2 4.14Å; L284-F336 HydrophobicContact CD2-CE2 4.07Å; L284-F336 HydrophobicContact CG-CE2 4.47Å; L284-I463 HydrophobicContact CD1-CG2 3.49Å; L284-I463 VanDerWaalsContact CD1-CG2 3.49Å; L284-L467 HydrophobicContact CD1-CD1 4.28Å
285M95.7Very high94.3Very high3 Ų311.3 Ų11.32%0.0156%0.058CC..Hα-helixtrans-58.6-39.7174.5-70.2-173.9-76.800111.6F262 D281 W282 I283 F287 L288 V289 L310 Y311 Y314F262-M285 HydrophobicContact CE1-CE 4.17Å; F262-M285 HydrophobicContact CZ-CE 3.74Å; D281-M285 WeakPolarHBondContact O-CG 3.08Å; D281-M285 PolarHBondContact O-N 3.32Å; W282-M285 HydrophobicContact CB-CE 4.17Å; W282-M285 WeakPolarHBondContact O-CB 3.15Å; W282-M285 PolarHBondContact O-N 3.29Å; I283-M285 PolarHBondContact O-N 3.1Å; M285-F287 PolarHBondContact O-N 2.64Å; M285-L288 PolarHBondContact O-N 3.3Å; M285-V289 PolarHBondContact O-N 3.49Å; M285-L310 HydrophobicContact CB-CB 4.3Å; M285-L310 HydrophobicContact CB-CD1 4.36Å; M285-L310 HydrophobicContact CG-CB 4.29Å; M285-L310 WeakPolarHBondContact O-CD1 3.36Å; M285-L310 HydrophobicContact SD-CB 4.01Å; M285-Y311 HydrophobicContact CE-CD1 3.9Å; M285-Y311 HydrophobicContact CE-CE1 4.33Å; M285-Y311 HydrophobicContact SD-CD1 3.86Å; M285-Y314 HydrophobicContact CE-CD1 4.23Å; M285-Y314 HydrophobicContact CE-CG 4.14Å; M285-Y314 HydrophobicContact SD-CG 4.12Å
286G93.8Very high93.9Very high2 Ų211.5 Ų11.52%0.0216%0.057CC..Hα-helixtrans-56.7-47172.400000113.3W282 I283 L284 L288 V289 G290W282-G286 PolarHBondContact O-N 2.94Å; I283-G286 WeakPolarHBondContact O-CA 3.32Å; I283-G286 PolarHBondContact O-N 2.82Å; I283-G286 VanDerWaalsContact O-N 3.09Å; L284-G286 VanDerWaalsContact C-N 3.26Å; L284-G286 PolarHBondContact O-N 3.33Å; G286-L288 VanDerWaalsContact C-N 3.29Å; G286-L288 PolarHBondContact O-N 2.82Å; G286-V289 WeakPolarHBondContact O-CB 3.48Å; G286-V289 PolarHBondContact O-N 2.84Å; G286-V289 VanDerWaalsContact O-N 3.15Å; G286-G290 PolarHBondContact O-N 2.82Å; G286-G290 VanDerWaalsContact O-N 3.16Å
287F94.1Very high93.7Very high2 Ų28.9 Ų8.91%0.0095%0.045CC..Hα-helixtrans-64.7-29.6179.1-64.3-29.5000114I283 L284 M285 G290 N291 I466 L467 Y470I283-F287 HydrophobicContact CG2-CD2 4.21Å; I283-F287 HydrophobicContact CG2-CE1 4.23Å; I283-F287 HydrophobicContact CG2-CE2 3.54Å; I283-F287 HydrophobicContact CG2-CZ 3.54Å; I283-F287 PolarHBondContact O-N 3.24Å; L284-F287 PolarHBondContact O-N 2.84Å; L284-F287 VanDerWaalsContact O-N 3.14Å; M285-F287 PolarHBondContact O-N 2.64Å; F287-G290 PolarHBondContact O-N 2.97Å; F287-N291 HydrophobicContact CD1-CB 4.33Å; F287-N291 PolarHBondContact O-ND2 3.39Å; F287-I466 HydrophobicContact CD1-CG2 4.12Å; F287-I466 HydrophobicContact CD2-CG2 3.78Å; F287-I466 HydrophobicContact CE1-CG2 4.12Å; F287-I466 HydrophobicContact CE2-CG2 3.76Å; F287-I466 HydrophobicContact CG-CG2 3.98Å; F287-I466 HydrophobicContact CZ-CG2 3.95Å; F287-L467 HydrophobicContact CD2-CD2 4.12Å; F287-L467 HydrophobicContact CD2-CG 4.44Å; F287-L467 HydrophobicContact CE2-CD2 3.93Å; F287-L467 HydrophobicContact CE2-CG 4.46Å; F287-Y470 HydrophobicContact CE1-CD1 4.09Å; F287-Y470 HydrophobicContact CE1-CD2 4.38Å; F287-Y470 AromaticContact CE1-CE1 3.67Å; F287-Y470 HydrophobicContact CE1-CE1 3.67Å; F287-Y470 HydrophobicContact CE1-CE2 4.05Å; F287-Y470 HydrophobicContact CE1-CG 4.42Å; F287-Y470 AromaticContact CE1-CZ 3.68Å; F287-Y470 HydrophobicContact CE2-CG 4.37Å; F287-Y470 AromaticContact CZ-CD1 3.51Å; F287-Y470 HydrophobicContact CZ-CD1 3.51Å; F287-Y470 AromaticContact CZ-CD2 3.78Å; F287-Y470 HydrophobicContact CZ-CD2 3.78Å; F287-Y470 AromaticContact CZ-CE1 3.6Å; F287-Y470 HydrophobicContact CZ-CE1 3.6Å; F287-Y470 AromaticContact CZ-CE2 3.92Å; F287-Y470 HydrophobicContact CZ-CE2 3.92Å; F287-Y470 AromaticContact CZ-CG 3.6Å; F287-Y470 HydrophobicContact CZ-CG 3.6Å; F287-Y470 AromaticContact CZ-CZ 3.84Å
288L92.9Very high93.2Very high0 Ų06.8 Ų6.80%04%0.037CC..Hα-helixtrans-68.4-34.9174.2-66.4175.7000112.3L284 M285 G286 L297 L310 F336 Y339 L340 I463L284-L288 PolarHBondContact O-N 3.25Å; M285-L288 PolarHBondContact O-N 3.3Å; G286-L288 VanDerWaalsContact C-N 3.29Å; G286-L288 PolarHBondContact O-N 2.82Å; L288-L297 HydrophobicContact CB-CD1 4.36Å; L288-L297 HydrophobicContact CD2-CD1 4.28Å; L288-L310 HydrophobicContact CD1-CD2 4.29Å; L288-F336 HydrophobicContact CD1-CE2 4.34Å; L288-F336 HydrophobicContact CD2-CZ 4.22Å; L288-Y339 HydrophobicContact CD1-CE1 3.92Å; L288-L340 HydrophobicContact CD1-CD2 4.47Å; L288-I463 HydrophobicContact CD2-CD1 4.04Å; L288-I463 HydrophobicContact CD2-CG1 4.49Å
289V90.5Very high92.5Very high4 Ų49.3 Ų9.32%0.0245%0.049CC..Hα-helixtrans-68.5-41.3174.2178.90000110.7V3 M285 G286 H296 I302 A306 L307 L310V3-V289 HydrophobicContact CG1-CB 4.49Å; V3-V289 HydrophobicContact CG1-CG1 3.97Å; M285-V289 PolarHBondContact O-N 3.49Å; G286-V289 WeakPolarHBondContact O-CB 3.48Å; G286-V289 PolarHBondContact O-N 2.84Å; G286-V289 VanDerWaalsContact O-N 3.15Å; V289-H296 PolarHBondContact O-ND1 3.07Å; V289-I302 HydrophobicContact CG1-CD1 4.15Å; V289-I302 HydrophobicContact CG1-CG1 3.53Å; V289-A306 HydrophobicContact CG2-CB 4.28Å; V289-L307 HydrophobicContact CG2-CD2 3.72Å; V289-L307 HydrophobicContact CG2-CG 4.15Å; V289-L310 HydrophobicContact CG2-CD1 3.25Å
290G88.1Confident91.9Very high2 Ų29.3 Ų9.32%0.0215%0.049CC..  trans177.8159.4177.500000113.8V3 G286 F287 H296V3-G290 VanDerWaalsContact CG2-O 3.29Å; V3-G290 WeakPolarHBondContact CG2-O 3.44Å; G286-G290 PolarHBondContact O-N 2.82Å; G286-G290 VanDerWaalsContact O-N 3.16Å; F287-G290 PolarHBondContact O-N 2.97Å; G290-H296 VanDerWaalsContact CA-CE1 3.43Å; G290-H296 WeakPolarHBondContact CA-CE1 3.33Å; G290-H296 VanDerWaalsContact CA-ND1 3.25Å; G290-H296 WeakPolarHBondContact CA-ND1 3.36Å
291N90.6Very high91.1Very high9 Ų910 Ų105%0.0485%0.052CC..  trans-166.1175.317260.982.5000108.4F287 F293 I294 I466F287-N291 HydrophobicContact CD1-CB 4.33Å; F287-N291 PolarHBondContact O-ND2 3.39Å; N291-F293 HydrophobicContact CB-CD2 4.31Å; N291-F293 PolarHBondContact OD1-N 2.65Å; N291-I294 VanDerWaalsContact ND2-CG1 3.29Å; N291-I294 WeakPolarHBondContact ND2-CG1 3.27Å; N291-I294 WeakPolarHBondContact OD1-CG1 3.29Å; N291-I294 PolarHBondContact OD1-N 3.31Å; N291-I466 WeakPolarHBondContact OD1-CD1 3.2Å
292D88.8Confident90.2Very high17 Ų1710.6 Ų10.69%0.0916%0.055CC..SBendtrans-84.2-5.7-176.3-84.5-10.7000115.1G2 K93 Q96G2-D292 WeakPolarHBondContact CA-OD1 3.46Å; G2-D292 PolarHBondContact N-OD1 3.05Å; K93-D292 HydrophobicContact CD-CB 3.97Å; K93-D292 IonicContact NZ-OD2 3.43Å; K93-D292 PolarHBondContact NZ-OD2 2.8Å; Q96-D292 WeakPolarHBondContact CB-O 3.32Å
293F91.6Very high89.1Confident12 Ų1214.4 Ų14.45%0.0538%0.075CC..SBendtrans-107.2-27.2-167.6-48-80.3000113.9A92 K93 N291 W465 I466 Y469 Y470A92-F293 HydrophobicContact CB-CB 4.48Å; A92-F293 HydrophobicContact CB-CD1 4.23Å; K93-F293 HydrophobicContact CB-CD1 4.15Å; K93-F293 HydrophobicContact CB-CE1 4.02Å; K93-F293 HydrophobicContact CD-CD1 4.19Å; K93-F293 HydrophobicContact CD-CE1 3.84Å; K93-F293 HydrophobicContact CG-CE1 4.4Å; N291-F293 HydrophobicContact CB-CD2 4.31Å; N291-F293 PolarHBondContact OD1-N 2.65Å; F293-W465 HydrophobicContact CB-CZ3 4.28Å; F293-W465 AromaticContact CD1-CH2 3.97Å; F293-W465 HydrophobicContact CD1-CH2 3.97Å; F293-W465 AromaticContact CD1-CZ3 3.52Å; F293-W465 HydrophobicContact CD1-CZ3 3.52Å; F293-W465 HydrophobicContact CD2-CZ3 4.37Å; F293-W465 HydrophobicContact CE1-CH2 4.14Å; F293-W465 AromaticContact CE1-CZ3 3.93Å; F293-W465 HydrophobicContact CE1-CZ3 3.93Å; F293-W465 AromaticContact CG-CZ3 3.78Å; F293-W465 HydrophobicContact CG-CZ3 3.78Å; F293-I466 HydrophobicContact CB-CD1 4.14Å; F293-I466 HydrophobicContact CB-CG1 4.03Å; F293-I466 HydrophobicContact CD2-CD1 4.27Å; F293-I466 HydrophobicContact CD2-CG1 3.83Å; F293-I466 HydrophobicContact CD2-CG2 4.21Å; F293-I466 HydrophobicContact CE2-CG2 4.47Å; F293-I466 HydrophobicContact CG-CG1 4.18Å; F293-Y469 AromaticContact CE1-CD1 3.83Å; F293-Y469 HydrophobicContact CE1-CD1 3.83Å; F293-Y469 AromaticContact CE1-CE1 3.56Å; F293-Y469 HydrophobicContact CE1-CE1 3.56Å; F293-Y469 HydrophobicContact CE2-CD1 4.22Å; F293-Y469 HydrophobicContact CE2-CE1 4.47Å; F293-Y469 AromaticContact CZ-CD1 3.55Å; F293-Y469 HydrophobicContact CZ-CD1 3.55Å; F293-Y469 AromaticContact CZ-CE1 3.42Å; F293-Y469 HydrophobicContact CZ-CE1 3.42Å; F293-Y469 VanDerWaalsContact CZ-CE1 3.42Å; F293-Y470 AromaticContact CE2-CE2 3.87Å; F293-Y470 HydrophobicContact CE2-CE2 3.87Å; F293-Y470 HydrophobicContact CZ-CE2 4.4Å
294I92.5Very high88.1Confident9 Ų919.8 Ų19.85%0.04610%0.1CC..SBendtrans-132153.3178.359.7176.8000112.1N291 Y459 A462 I463 I466 Y481N291-I294 VanDerWaalsContact ND2-CG1 3.29Å; N291-I294 WeakPolarHBondContact ND2-CG1 3.27Å; N291-I294 WeakPolarHBondContact OD1-CG1 3.29Å; N291-I294 PolarHBondContact OD1-N 3.31Å; I294-Y459 HydrophobicContact CD1-CD2 4.31Å; I294-Y459 HydrophobicContact CD1-CE2 3.65Å; I294-Y459 HydrophobicContact CG1-CE2 4.48Å; I294-A462 HydrophobicContact CD1-CB 4.18Å; I294-A462 HydrophobicContact CG2-CB 3.4Å; I294-A462 VanDerWaalsContact CG2-CB 3.4Å; I294-I463 HydrophobicContact CD1-CD1 3.54Å; I294-I463 HydrophobicContact CD1-CG1 4.28Å; I294-I466 HydrophobicContact CD1-CD1 3.85Å; I294-I466 HydrophobicContact CG1-CD1 3.89Å; I294-I466 HydrophobicContact CG2-CD1 4.42Å; I294-Y481 HydrophobicContact CG2-CD1 4.37Å; I294-Y481 HydrophobicContact CG2-CD2 4.31Å; I294-Y481 HydrophobicContact CG2-CG 3.89Å
295P90.6Very high87.4Confident27 Ų2724.6 Ų24.618%0.17513%0.126CC..PPolyproline II helixtrans-61.8148.8174.124.9-33.6000111.8Y481 H484 A486P295-Y481 VanDerWaalsContact CD-CD1 3.48Å; P295-Y481 HydrophobicContact CG-CD1 3.98Å; P295-Y481 HydrophobicContact CG-CE1 3.53Å; P295-H484 WeakPolarHBondContact CB-O 3.36Å; P295-A486 HydrophobicContact CB-CB 4.46Å; P295-A486 HydrophobicContact CG-CB 4.16Å
296H88.5Confident87Confident42 Ų4224.5 Ų24.519%0.19413%0.125CC..PPolyproline II helixtrans-61.6144.2174.5-60.4-76.8000111.1V289 G290 A486 K556V289-H296 PolarHBondContact O-ND1 3.07Å; G290-H296 VanDerWaalsContact CA-CE1 3.43Å; G290-H296 WeakPolarHBondContact CA-CE1 3.33Å; G290-H296 VanDerWaalsContact CA-ND1 3.25Å; G290-H296 WeakPolarHBondContact CA-ND1 3.36Å; H296-A486 WeakPolarHBondContact O-CB 3.47Å; H296-K556 PolarHBondContact CD2-NZ 2.88Å
297L90.7Very high86.8Confident1 Ų124.5 Ų24.51%0.00513%0.125CC..PPolyproline II helixtrans-56.1142.3166.6-72.2165.5000109.9L288 H299 L300 Y459 A486 P487 L489 I492L288-L297 HydrophobicContact CB-CD1 4.36Å; L288-L297 HydrophobicContact CD2-CD1 4.28Å; L297-H299 PolarHBondContact O-N 3.45Å; L297-L300 HydrophobicContact CB-CB 4.03Å; L297-L300 HydrophobicContact CB-CD2 4.23Å; L297-L300 HydrophobicContact CD1-CD2 3.73Å; L297-Y459 HydrophobicContact CD2-CE1 4.04Å; L297-Y459 HydrophobicContact CD2-CE2 4.24Å; L297-Y459 WeakPolarHBondContact CG-OH 3.34Å; L297-A486 HydrophobicContact CD2-CB 4.3Å; L297-P487 WeakPolarHBondContact CD2-O 3.07Å; L297-L489 HydrophobicContact CD1-CD2 3.76Å; L297-L489 HydrophobicContact CD1-CG 4.21Å; L297-L489 HydrophobicContact CD2-CD2 4.34Å; L297-L489 HydrophobicContact CD2-CG 4.4Å; L297-I492 HydrophobicContact CD2-CD1 4.23Å
298P87.6Confident86.7Confident6 Ų626.4 Ų26.44%0.03914%0.138CC..SBendtrans-53.9133.4177.1-25.635.3000111.1L300 Y437 P487 F488P298-L300 PolarHBondContact O-N 3.32Å; P298-Y437 HydrophobicContact CG-CE2 4.48Å; P298-P487 VanDerWaalsContact CD-O 3.29Å; P298-P487 WeakPolarHBondContact CD-O 3.31Å; P298-F488 HydrophobicContact CB-CD1 4.35Å; P298-F488 HydrophobicContact CB-CE1 4.07Å; P298-F488 HydrophobicContact CB-CZ 4.32Å; P298-F488 HydrophobicContact CG-CD1 4.43Å; P298-F488 HydrophobicContact CG-CE1 4.48Å; P298-F488 HydrophobicContact CG-CG 4.48Å
299H82.6Confident86.7Confident53 Ų5328.9 Ų28.925%0.24515%0.15CC..SBendtrans65.1-15.8173.1-45.3-76.8000116.8L297 H301 H304 F346 H350L297-H299 PolarHBondContact O-N 3.45Å; H299-H301 PolarHBondContact O-N 2.68Å; H299-H301 VanDerWaalsContact O-N 3.09Å; H299-H304 PolarHBondContact O-ND1 2.85Å; H299-F346 HydrophobicContact CB-CE1 4Å; H299-F346 HydrophobicContact CB-CZ 4.16Å; H299-H350 AromaticContact CD2-CD2 3.61Å; H299-H350 AromaticContact CD2-NE2 3.89Å; H299-H350 AromaticContact CE1-CD2 3.84Å; H299-H350 AromaticContact CE1-NE2 3.37Å; H299-H350 PolarHBondContact CE1-NE2 3.26Å; H299-H350 AromaticContact CG-CD2 3.37Å; H299-H350 AromaticContact CG-NE2 3.34Å; H299-H350 VanDerWaalsContact CG-NE2 3.34Å; H299-H350 AromaticContact ND1-CD2 3.54Å; H299-H350 AromaticContact ND1-CE1 3.82Å; H299-H350 AromaticContact ND1-NE2 2.98Å; H299-H350 PolarHBondContact ND1-NE2 3.49Å; H299-H350 AromaticContact NE2-CD2 3.94Å; H299-H350 AromaticContact NE2-NE2 3.95Å
300L85Confident87Confident0 Ų028.7 Ų28.70%015%0.149CC..  trans-80.788.7-179.5-166.972000111.3L297 P298 A306 L309 F346L297-L300 HydrophobicContact CB-CB 4.03Å; L297-L300 HydrophobicContact CB-CD2 4.23Å; L297-L300 HydrophobicContact CD1-CD2 3.73Å; P298-L300 PolarHBondContact O-N 3.32Å; L300-A306 HydrophobicContact CD1-CB 3.68Å; L300-A306 HydrophobicContact CG-CB 3.88Å; L300-L309 HydrophobicContact CD1-CD2 4.22Å; L300-F346 HydrophobicContact CB-CE1 4.26Å; L300-F346 HydrophobicContact CD1-CD1 4.36Å; L300-F346 HydrophobicContact CD1-CE1 4.17Å; L300-F346 HydrophobicContact CD1-CZ 4.37Å
301H81.1Confident87.4Confident15 Ų1528.7 Ų28.77%0.06915%0.149CC..  trans-133.1153.2-177.3-60.1-30000112.6H299 N303 H304 A306 K556H299-H301 PolarHBondContact O-N 2.68Å; H299-H301 VanDerWaalsContact O-N 3.09Å; H301-N303 PolarHBondContact O-N 3.08Å; H301-H304 CarbonylContact O-C 3.05Å; H301-H304 WeakPolarHBondContact O-CA 3.17Å; H301-H304 PolarHBondContact O-N 2.82Å; H301-A306 VanDerWaalsContact O-CB 3.28Å; H301-A306 WeakPolarHBondContact O-CB 3.18Å; H301-A306 PolarHBondContact O-N 3.44Å; H301-K556 PolarHBondContact CE1-NZ 3.42Å; H301-K556 PolarHBondContact ND1-NZ 2.86Å; H301-K556 VanDerWaalsContact ND1-NZ 3.12Å; H301-K556 PolarHBondContact NE2-NZ 3.25Å
302I79.3Confident87.6Confident15 Ų1530.2 Ų30.28%0.07717%0.166CC..G310 helixtrans-58.8-33.1178-59.6-173.5000112.3V3 F6 W9 V289 H304 D305 L307V3-I302 HydrophobicContact CG1-CD1 3.67Å; V3-I302 HydrophobicContact CG1-CG1 4.49Å; F6-I302 HydrophobicContact CB-CD1 3.88Å; F6-I302 HydrophobicContact CD2-CD1 3.76Å; F6-I302 HydrophobicContact CG-CD1 4.35Å; W9-I302 HydrophobicContact CB-CG2 3.75Å; W9-I302 HydrophobicContact CG-CG2 3.66Å; V289-I302 HydrophobicContact CG1-CD1 4.15Å; V289-I302 HydrophobicContact CG1-CG1 3.53Å; I302-H304 PolarHBondContact O-N 3.3Å; I302-D305 PolarHBondContact O-N 3.09Å; I302-L307 HydrophobicContact CD1-CD1 4.05Å; I302-L307 HydrophobicContact CG1-CD1 4.23Å
303N74.3Confident88Confident81 Ų8130.1 Ų30.143%0.43317%0.167SC..G310 helixtrans-65.6-16176.5-61.7-34.1000113.4K5 H301K5-N303 WeakPolarHBondContact CD-OD1 3.32Å; K5-N303 WeakPolarHBondContact CE-OD1 3.38Å; K5-N303 PolarHBondContact NZ-ND2 3.41Å; K5-N303 VanDerWaalsContact NZ-ND2 3.19Å; K5-N303 PolarHBondContact NZ-OD1 2.89Å; H301-N303 PolarHBondContact O-N 3.08Å
304H75Confident88.3Confident114 Ų11429.6 Ų29.653%0.52816%0.164SC..G310 helixtrans-115.232.4179-52.5138.7000110.6H299 H301 I302 A306H299-H304 PolarHBondContact O-ND1 2.85Å; H301-H304 CarbonylContact O-C 3.05Å; H301-H304 WeakPolarHBondContact O-CA 3.17Å; H301-H304 PolarHBondContact O-N 2.82Å; I302-H304 PolarHBondContact O-N 3.3Å; H304-A306 VanDerWaalsContact C-N 3.27Å; H304-A306 PolarHBondContact O-N 3.34Å; H304-A306 VanDerWaalsContact O-N 3.14Å
305D81.5Confident88.5Confident102 Ų10230.6 Ų30.655%0.54517%0.169SC..THydrogen-bonded Turntrans53.337.3176.2-71.5-45.2000115.4I302 L307 P308 L309I302-D305 PolarHBondContact O-N 3.09Å; D305-L307 PolarHBondContact O-N 3.42Å; D305-P308 HydrophobicContact CB-CG 4.42Å; D305-P308 VanDerWaalsContact O-CD 3.31Å; D305-P308 WeakPolarHBondContact O-CD 3.46Å; D305-L309 PolarHBondContact O-N 2.69Å
306A87.6Confident88.8Confident1 Ų132.2 Ų32.21%0.00819%0.185CC..Hα-helixtrans-60.1-37.9178.200000114.1V289 L300 H301 H304 L309 L310V289-A306 HydrophobicContact CG2-CB 4.28Å; L300-A306 HydrophobicContact CD1-CB 3.68Å; L300-A306 HydrophobicContact CG-CB 3.88Å; H301-A306 VanDerWaalsContact O-CB 3.28Å; H301-A306 WeakPolarHBondContact O-CB 3.18Å; H301-A306 PolarHBondContact O-N 3.44Å; H304-A306 VanDerWaalsContact C-N 3.27Å; H304-A306 PolarHBondContact O-N 3.34Å; H304-A306 VanDerWaalsContact O-N 3.14Å; A306-L309 WeakPolarHBondContact O-CB 3.49Å; A306-L309 PolarHBondContact O-N 3.25Å; A306-L310 WeakPolarHBondContact O-CB 3.38Å; A306-L310 WeakPolarHBondContact O-CD1 3.39Å; A306-L310 WeakPolarHBondContact O-CG 3.21Å; A306-L310 PolarHBondContact O-N 3.24Å
307L90.4Very high89.1Confident2 Ų230.9 Ų30.91%0.0118%0.179CC..Hα-helixtrans-67.5-49.3-177.1-73.2167.5000112.7F6 W9 V289 I302 D305 L309 L310 Y311F6-L307 HydrophobicContact CD2-CD1 3.88Å; F6-L307 HydrophobicContact CE2-CD1 3.7Å; F6-L307 HydrophobicContact CE2-CD2 4.4Å; W9-L307 HydrophobicContact CD2-CD1 3.76Å; W9-L307 HydrophobicContact CE3-CD1 3.42Å; W9-L307 VanDerWaalsContact CE3-CD1 3.42Å; W9-L307 HydrophobicContact CH2-CB 3.63Å; W9-L307 HydrophobicContact CH2-CD1 3.87Å; W9-L307 HydrophobicContact CH2-CG 4.39Å; W9-L307 HydrophobicContact CZ2-CB 3.75Å; W9-L307 HydrophobicContact CZ2-CD1 4.2Å; W9-L307 HydrophobicContact CZ3-CB 4.14Å; W9-L307 HydrophobicContact CZ3-CD1 3.49Å; W9-L307 VanDerWaalsContact CZ3-CD1 3.49Å; W9-L307 HydrophobicContact CZ3-CG 4.43Å; V289-L307 HydrophobicContact CG2-CD2 3.72Å; V289-L307 HydrophobicContact CG2-CG 4.15Å; I302-L307 HydrophobicContact CD1-CD1 4.05Å; I302-L307 HydrophobicContact CG1-CD1 4.23Å; D305-L307 PolarHBondContact O-N 3.42Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 3.1Å; L307-L310 HydrophobicContact CD2-CD1 4.47Å; L307-L310 PolarHBondContact O-N 3.19Å; L307-Y311 HydrophobicContact CB-CE1 4.34Å; L307-Y311 HydrophobicContact CD2-CE1 4.07Å; L307-Y311 WeakPolarHBondContact O-CD1 3.49Å; L307-Y311 PolarHBondContact O-N 3.19Å
308P92Very high89.4Confident43 Ų4330.9 Ų30.928%0.27918%0.179SC..Hα-helixtrans-55-41171.5-28.135.5000113.6W9 D305 Y311 G312W9-P308 HydrophobicContact CZ2-CG 3.92Å; D305-P308 HydrophobicContact CB-CG 4.42Å; D305-P308 VanDerWaalsContact O-CD 3.31Å; D305-P308 WeakPolarHBondContact O-CD 3.46Å; P308-Y311 PolarHBondContact O-N 3.37Å; P308-G312 PolarHBondContact O-N 3.09Å
309L93.3Very high89.8Confident51 Ų5132.1 Ų32.127%0.26719%0.187SC..Hα-helixtrans-60.8-47.7176.2173.767000111.8L300 D305 A306 L307 Y311 G312 T313 L343 F346L300-L309 HydrophobicContact CD1-CD2 4.22Å; D305-L309 PolarHBondContact O-N 2.69Å; A306-L309 WeakPolarHBondContact O-CB 3.49Å; A306-L309 PolarHBondContact O-N 3.25Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 3.1Å; L309-Y311 VanDerWaalsContact C-N 3.34Å; L309-Y311 PolarHBondContact O-N 2.99Å; L309-G312 PolarHBondContact O-N 3.29Å; L309-T313 VanDerWaalsContact O-CB 3.32Å; L309-T313 WeakPolarHBondContact O-CB 3.39Å; L309-T313 PolarHBondContact O-N 2.99Å; L309-T313 PolarHBondContact O-OG1 3Å; L309-L343 HydrophobicContact CD2-CD1 4.42Å; L309-L343 HydrophobicContact CG-CD1 4.27Å; L309-F346 HydrophobicContact CD2-CB 4.05Å; L309-F346 HydrophobicContact CD2-CD2 3.26Å; L309-F346 HydrophobicContact CD2-CE2 3.85Å; L309-F346 HydrophobicContact CD2-CG 3.77Å
310L95.6Very high90.5Very high0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-60.3-44.1177.7-72.4165.3000111.5M285 L288 V289 A306 L307 Y314 Y339 L343M285-L310 HydrophobicContact CB-CB 4.3Å; M285-L310 HydrophobicContact CB-CD1 4.36Å; M285-L310 HydrophobicContact CG-CB 4.29Å; M285-L310 WeakPolarHBondContact O-CD1 3.36Å; M285-L310 HydrophobicContact SD-CB 4.01Å; L288-L310 HydrophobicContact CD1-CD2 4.29Å; V289-L310 HydrophobicContact CG2-CD1 3.25Å; A306-L310 WeakPolarHBondContact O-CB 3.38Å; A306-L310 WeakPolarHBondContact O-CD1 3.39Å; A306-L310 WeakPolarHBondContact O-CG 3.21Å; A306-L310 PolarHBondContact O-N 3.24Å; L307-L310 HydrophobicContact CD2-CD1 4.47Å; L307-L310 PolarHBondContact O-N 3.19Å; L310-Y314 VanDerWaalsContact O-CB 3.31Å; L310-Y314 WeakPolarHBondContact O-CB 3.45Å; L310-Y314 PolarHBondContact O-N 2.99Å; L310-Y339 HydrophobicContact CD2-CE1 4.44Å; L310-Y339 WeakPolarHBondContact CD2-OH 3.2Å; L310-Y339 PolarHBondContact O-OH 3.18Å; L310-Y339 VanDerWaalsContact O-OH 3.04Å; L310-L343 HydrophobicContact CD2-CD1 3.83Å; L310-L343 HydrophobicContact CD2-CD2 3.49Å; L310-L343 VanDerWaalsContact CD2-CD2 3.49Å; L310-L343 HydrophobicContact CD2-CG 4.32Å
311Y95.9Very high90.9Very high3 Ų335.8 Ų35.81%0.01221%0.205CC..Hα-helixtrans-66.9-46.1179.6-58.7-5.9000111.3W9 E261 F262 W282 M285 L307 P308 L309 T313 Y314 I315W9-Y311 AromaticContact CH2-CE2 3.95Å; W9-Y311 HydrophobicContact CH2-CE2 3.95Å; E261-Y311 HydrophobicContact CG-CD2 4.08Å; E261-Y311 HydrophobicContact CG-CE2 4.45Å; F262-Y311 HydrophobicContact CE1-CG 4.35Å; F262-Y311 AromaticContact CZ-CD1 3.87Å; F262-Y311 HydrophobicContact CZ-CD1 3.87Å; F262-Y311 HydrophobicContact CZ-CD2 4.25Å; F262-Y311 HydrophobicContact CZ-CE1 4.47Å; F262-Y311 AromaticContact CZ-CG 3.78Å; F262-Y311 HydrophobicContact CZ-CG 3.78Å; W282-Y311 AromaticContact CD1-CE1 3.59Å; W282-Y311 AromaticContact CD1-CZ 3.8Å; W282-Y311 AromaticContact NE1-CE1 3.41Å; W282-Y311 AromaticContact NE1-CZ 3.17Å; W282-Y311 PolarHBondContact NE1-OH 3.36Å; M285-Y311 HydrophobicContact CE-CD1 3.9Å; M285-Y311 HydrophobicContact CE-CE1 4.33Å; M285-Y311 HydrophobicContact SD-CD1 3.86Å; L307-Y311 HydrophobicContact CB-CE1 4.34Å; L307-Y311 HydrophobicContact CD2-CE1 4.07Å; L307-Y311 WeakPolarHBondContact O-CD1 3.49Å; L307-Y311 PolarHBondContact O-N 3.19Å; P308-Y311 PolarHBondContact O-N 3.37Å; L309-Y311 VanDerWaalsContact C-N 3.34Å; L309-Y311 PolarHBondContact O-N 2.99Å; Y311-T313 VanDerWaalsContact C-N 3.34Å; Y311-T313 PolarHBondContact O-N 3.46Å; Y311-Y314 PolarHBondContact O-N 3.16Å; Y311-I315 WeakPolarHBondContact O-CB 3.42Å; Y311-I315 VanDerWaalsContact O-CG1 3.25Å; Y311-I315 WeakPolarHBondContact O-CG1 3.33Å; Y311-I315 PolarHBondContact O-N 3.21Å
312G96.2Very high91.4Very high40 Ų4037.2 Ų37.241%0.41222%0.224SC..Hα-helixtrans-60.4-44.1177.900000111.9P308 L309 Y314 I315 A316P308-G312 PolarHBondContact O-N 3.09Å; L309-G312 PolarHBondContact O-N 3.29Å; G312-Y314 VanDerWaalsContact C-N 3.34Å; G312-Y314 PolarHBondContact O-N 3.08Å; G312-I315 PolarHBondContact O-N 3.03Å; G312-A316 WeakPolarHBondContact O-CB 3.27Å; G312-A316 PolarHBondContact O-N 3.28Å
313T96.4Very high92.1Very high16 Ų1636.8 Ų36.810%0.09822%0.223CC..Hα-helixtrans-61.1-44.1175-57.70000111.2L309 Y311 A316 I317 Y339 K342 L343L309-T313 VanDerWaalsContact O-CB 3.32Å; L309-T313 WeakPolarHBondContact O-CB 3.39Å; L309-T313 PolarHBondContact O-N 2.99Å; L309-T313 PolarHBondContact O-OG1 3Å; Y311-T313 VanDerWaalsContact C-N 3.34Å; Y311-T313 PolarHBondContact O-N 3.46Å; T313-A316 PolarHBondContact O-N 3.07Å; T313-I317 WeakPolarHBondContact O-CG2 3.44Å; T313-I317 PolarHBondContact O-N 3.48Å; T313-Y339 HydrophobicContact CG2-CD2 4.17Å; T313-Y339 HydrophobicContact CG2-CE2 3.82Å; T313-K342 HydrophobicContact CG2-CB 4.18Å; T313-K342 HydrophobicContact CG2-CG 3.87Å; T313-L343 HydrophobicContact CG2-CB 4.28Å; T313-L343 HydrophobicContact CG2-CD1 4.34Å
314Y97.8Very high93.3Very high1 Ų133.9 Ų33.90%0.00421%0.206CC..Hα-helixtrans-64.4-46.3179179.9-100.9000111.7F262 L265 I278 D281 M285 L310 Y311 G312 A316 I317 L318 I325 Y339F262-Y314 HydrophobicContact CD1-CD1 4Å; F262-Y314 HydrophobicContact CD1-CE1 4.27Å; F262-Y314 AromaticContact CE1-CD1 3.73Å; F262-Y314 HydrophobicContact CE1-CD1 3.73Å; F262-Y314 HydrophobicContact CE1-CE1 4.31Å; L265-Y314 HydrophobicContact CD1-CD1 4.2Å; L265-Y314 HydrophobicContact CD1-CE1 3.86Å; I278-Y314 HydrophobicContact CD1-CE1 3.98Å; D281-Y314 HydrophobicContact CB-CE2 3.71Å; D281-Y314 WeakPolarHBondContact CB-OH 3.32Å; D281-Y314 VanDerWaalsContact OD2-CE2 3.26Å; D281-Y314 WeakPolarHBondContact OD2-CE2 2.97Å; D281-Y314 VanDerWaalsContact OD2-CZ 3.28Å; D281-Y314 PolarHBondContact OD2-OH 2.85Å; M285-Y314 HydrophobicContact CE-CD1 4.23Å; M285-Y314 HydrophobicContact CE-CG 4.14Å; M285-Y314 HydrophobicContact SD-CG 4.12Å; L310-Y314 VanDerWaalsContact O-CB 3.31Å; L310-Y314 WeakPolarHBondContact O-CB 3.45Å; L310-Y314 PolarHBondContact O-N 2.99Å; Y311-Y314 PolarHBondContact O-N 3.16Å; G312-Y314 VanDerWaalsContact C-N 3.34Å; G312-Y314 PolarHBondContact O-N 3.08Å; Y314-A316 PolarHBondContact O-N 3.29Å; Y314-I317 PolarHBondContact O-N 3.39Å; Y314-L318 HydrophobicContact CE1-CB 4.49Å; Y314-L318 HydrophobicContact CE1-CD2 3.73Å; Y314-L318 HydrophobicContact CE1-CG 4.48Å; Y314-L318 HydrophobicContact CE2-CB 4.49Å; Y314-L318 HydrophobicContact CE2-CD1 3.85Å; Y314-L318 HydrophobicContact CE2-CD2 4.47Å; Y314-L318 HydrophobicContact CE2-CG 4.48Å; Y314-L318 VanDerWaalsContact O-CB 3.26Å; Y314-L318 WeakPolarHBondContact O-CB 3.44Å; Y314-L318 PolarHBondContact O-N 2.98Å; Y314-L318 WeakPolarHBondContact OH-CD1 3.45Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.41Å; Y314-I325 HydrophobicContact CD2-CD1 3.9Å; Y314-I325 HydrophobicContact CE2-CD1 3.82Å; Y314-I325 HydrophobicContact CE2-CG1 4.28Å; Y314-Y339 HydrophobicContact CD2-CD2 4.47Å; Y314-Y339 HydrophobicContact CD2-CE2 4.29Å
315I97Very high94.4Very high30 Ų3028.6 Ų28.615%0.15418%0.181CC..Hα-helixtrans-60.7-35.2177.7-69.4164.8000111.5F262 L265 Y311 G312F262-I315 HydrophobicContact CD1-CD1 4.01Å; F262-I315 HydrophobicContact CD1-CG1 3.75Å; F262-I315 HydrophobicContact CE1-CD1 4.16Å; F262-I315 HydrophobicContact CE1-CG1 4Å; L265-I315 HydrophobicContact CD1-CG1 4.25Å; L265-I315 HydrophobicContact CD2-CG2 4.34Å; L265-I315 HydrophobicContact CG-CG1 4.36Å; Y311-I315 WeakPolarHBondContact O-CB 3.42Å; Y311-I315 VanDerWaalsContact O-CG1 3.25Å; Y311-I315 WeakPolarHBondContact O-CG1 3.33Å; Y311-I315 PolarHBondContact O-N 3.21Å; G312-I315 PolarHBondContact O-N 3.03Å
316A96.4Very high95.1Very high60 Ų6023.7 Ų23.750%0.49616%0.155SC..Hα-helixtrans-71.4-45178.500000112.3G312 T313 Y314G312-A316 WeakPolarHBondContact O-CB 3.27Å; G312-A316 PolarHBondContact O-N 3.28Å; T313-A316 PolarHBondContact O-N 3.07Å; Y314-A316 PolarHBondContact O-N 3.29Å
317I96.5Very high95.5Very high15 Ų1527.6 Ų27.68%0.07717%0.173CC..Hα-helixtrans-91.3-29.3-170-157.472.4000114T313 Y314 P319 E320 L321 Y339 K342T313-I317 WeakPolarHBondContact O-CG2 3.44Å; T313-I317 PolarHBondContact O-N 3.48Å; Y314-I317 PolarHBondContact O-N 3.39Å; I317-P319 VanDerWaalsContact C-N 3.33Å; I317-E320 WeakPolarHBondContact O-CB 3.49Å; I317-E320 PolarHBondContact O-N 2.83Å; I317-L321 HydrophobicContact CG1-CD2 4.04Å; I317-L321 HydrophobicContact CG1-CG 4.42Å; I317-L321 HydrophobicContact CG2-CD1 4.12Å; I317-L321 HydrophobicContact CG2-CG 4.43Å; I317-L321 PolarHBondContact O-N 3.44Å; I317-Y339 HydrophobicContact CG2-CD2 3.82Å; I317-K342 HydrophobicContact CD1-CB 4.49Å
318L96.7Very high95.6Very high0 Ų030 Ų300%019%0.19CC..Hα-helixtrans-52-40.9-174.1-17470000114.2L265 I269 F271 I278 Y314 E320 L321 G323L265-L318 HydrophobicContact CD1-CD2 3.62Å; L265-L318 HydrophobicContact CD2-CB 4.18Å; L265-L318 HydrophobicContact CD2-CD2 4.04Å; L265-L318 HydrophobicContact CG-CD2 4.35Å; I269-L318 HydrophobicContact CG2-CD2 4Å; I269-L318 HydrophobicContact CG2-CG 4.21Å; F271-L318 HydrophobicContact CZ-CD1 4.07Å; F271-L318 HydrophobicContact CZ-CD2 4.32Å; F271-L318 HydrophobicContact CZ-CG 4Å; I278-L318 HydrophobicContact CD1-CD2 4.13Å; Y314-L318 HydrophobicContact CE1-CB 4.49Å; Y314-L318 HydrophobicContact CE1-CD2 3.73Å; Y314-L318 HydrophobicContact CE1-CG 4.48Å; Y314-L318 HydrophobicContact CE2-CB 4.49Å; Y314-L318 HydrophobicContact CE2-CD1 3.85Å; Y314-L318 HydrophobicContact CE2-CD2 4.47Å; Y314-L318 HydrophobicContact CE2-CG 4.48Å; Y314-L318 VanDerWaalsContact O-CB 3.26Å; Y314-L318 WeakPolarHBondContact O-CB 3.44Å; Y314-L318 PolarHBondContact O-N 2.98Å; Y314-L318 WeakPolarHBondContact OH-CD1 3.45Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.41Å; L318-E320 PolarHBondContact O-N 2.93Å; L318-E320 VanDerWaalsContact O-N 3.12Å; L318-L321 HydrophobicContact CD1-CD1 4.25Å; L318-L321 PolarHBondContact O-N 3.15Å; L318-L321 VanDerWaalsContact O-N 3.08Å; L318-G323 WeakPolarHBondContact CD1-O 3.41Å
319P96.3Very high95.7Very high33 Ų3327.9 Ų27.921%0.21418%0.177CC..Hα-helixtrans-56.4-27.7176-27.237.5000114.2L265 K268 I269 I317L265-P319 HydrophobicContact CD2-CG 4.3Å; K268-P319 HydrophobicContact CB-CG 3.84Å; I269-P319 HydrophobicContact CG2-CG 4.33Å; I317-P319 VanDerWaalsContact C-N 3.33Å
320E95.4Very high95.9Very high116 Ų11630.2 Ų30.254%0.54219%0.186SC..Hα-helixtrans-89.4-14.1-179.1-52.1-178.8-171.700113.6I317 L318 R338I317-E320 WeakPolarHBondContact O-CB 3.49Å; I317-E320 PolarHBondContact O-N 2.83Å; L318-E320 PolarHBondContact O-N 2.93Å; L318-E320 VanDerWaalsContact O-N 3.12Å; E320-R338 PolarHBondContact O-NH1 3.39Å; E320-R338 IonicContact OE2-NH2 3.48Å; E320-R338 PolarHBondContact OE2-NH2 3.18Å
321L94.6Very high96Very high14 Ų1431 Ų317%0.07319%0.19CC..Hα-helixtrans-81.6-19-174.2-61.7-173.5000113.5I317 L318 G323 I325 R335 R338I317-L321 HydrophobicContact CG1-CD2 4.04Å; I317-L321 HydrophobicContact CG1-CG 4.42Å; I317-L321 HydrophobicContact CG2-CD1 4.12Å; I317-L321 HydrophobicContact CG2-CG 4.43Å; I317-L321 PolarHBondContact O-N 3.44Å; L318-L321 HydrophobicContact CD1-CD1 4.25Å; L318-L321 PolarHBondContact O-N 3.15Å; L318-L321 VanDerWaalsContact O-N 3.08Å; L321-G323 PolarHBondContact O-N 3.04Å; L321-I325 HydrophobicContact CD1-CD1 4.03Å; L321-I325 HydrophobicContact CD1-CG1 3.84Å; L321-R335 HydrophobicContact CB-CB 4.45Å; L321-R335 HydrophobicContact CB-CG 4.1Å; L321-R335 HydrophobicContact CD1-CB 4.24Å; L321-R335 HydrophobicContact CD2-CB 4.49Å; L321-R335 PolarHBondContact O-NE 3.11Å; L321-R338 HydrophobicContact CD2-CB 3.71Å; L321-R338 HydrophobicContact CD2-CG 4.49Å
322G90.8Very high96Very high45 Ų4532.6 Ų32.646%0.46420%0.199SC..THydrogen-bonded Turntrans67.315-178.200000114.7R335G322-R335 PolarHBondContact O-NH2 2.78Å
323G95.4Very high96.1Very high6 Ų631.6 Ų31.66%0.06218%0.184CC..SBendtrans166.2-175.9175.100000112F271 L318 L321 R335F271-G323 VanDerWaalsContact CE1-N 3.27Å; L318-G323 WeakPolarHBondContact CD1-O 3.41Å; L321-G323 PolarHBondContact O-N 3.04Å; G323-R335 VanDerWaalsContact CA-CZ 3.5Å
324Y97.8Very high96.1Very high19 Ų1934.1 Ų34.18%0.07520%0.2CC..  trans-78.1159.9-177.8-59.1-76.6000113.1F271 K272 Y273 D274 K277 I278 R335F271-Y324 HydrophobicContact CD2-CE2 4.06Å; F271-Y324 HydrophobicContact CE2-CD1 4.4Å; F271-Y324 HydrophobicContact CE2-CD2 4.1Å; F271-Y324 AromaticContact CE2-CE1 3.99Å; F271-Y324 HydrophobicContact CE2-CE1 3.99Å; F271-Y324 AromaticContact CE2-CE2 3.65Å; F271-Y324 HydrophobicContact CE2-CE2 3.65Å; F271-Y324 HydrophobicContact CE2-CG 4.44Å; F271-Y324 AromaticContact CE2-CZ 3.6Å; K272-Y324 PolarHBondContact O-OH 3.44Å; K272-Y324 VanDerWaalsContact O-OH 3.13Å; Y273-Y324 WeakPolarHBondContact CA-OH 3.48Å; D274-Y324 HydrophobicContact CB-CE2 4.44Å; D274-Y324 PolarHBondContact N-OH 3.06Å; K277-Y324 HydrophobicContact CB-CD1 3.6Å; K277-Y324 HydrophobicContact CB-CD2 3.48Å; K277-Y324 VanDerWaalsContact CB-CD2 3.48Å; K277-Y324 HydrophobicContact CB-CE1 3.63Å; K277-Y324 HydrophobicContact CB-CE2 3.51Å; K277-Y324 HydrophobicContact CB-CG 3.52Å; K277-Y324 HydrophobicContact CD-CD2 4.49Å; K277-Y324 HydrophobicContact CG-CD2 3.79Å; K277-Y324 HydrophobicContact CG-CE2 3.82Å; K277-Y324 HydrophobicContact CG-CG 4.27Å; I278-Y324 HydrophobicContact CD1-CD1 4.5Å; I278-Y324 HydrophobicContact CD1-CE1 3.8Å; I278-Y324 HydrophobicContact CG1-CE1 4.09Å; Y324-R335 WeakPolarHBondContact O-CD 3.26Å; Y324-R335 PolarHBondContact O-NH1 3.07Å
325I97.9Very high96.1Very high3 Ų336.3 Ų36.32%0.01521%0.209CC..SBendtrans-86.7-42.8-176.6-57175.8000111D281 L284 Y314 L321 L331 N332 R335 F336 Y339D281-I325 WeakPolarHBondContact OD1-CA 3.41Å; D281-I325 WeakPolarHBondContact OD1-CB 3.47Å; D281-I325 PolarHBondContact OD1-N 2.69Å; D281-I325 VanDerWaalsContact OD1-N 3.08Å; D281-I325 PolarHBondContact OD2-N 2.91Å; L284-I325 HydrophobicContact CD2-CB 4.18Å; L284-I325 HydrophobicContact CD2-CG2 3.53Å; Y314-I325 HydrophobicContact CD2-CD1 3.9Å; Y314-I325 HydrophobicContact CE2-CD1 3.82Å; Y314-I325 HydrophobicContact CE2-CG1 4.28Å; L321-I325 HydrophobicContact CD1-CD1 4.03Å; L321-I325 HydrophobicContact CD1-CG1 3.84Å; I325-L331 HydrophobicContact CG2-CD2 4.45Å; I325-N332 PolarHBondContact O-N 2.93Å; I325-R335 HydrophobicContact CG1-CB 4.46Å; I325-F336 HydrophobicContact CG2-CB 3.68Å; I325-F336 HydrophobicContact CG2-CD2 3.71Å; I325-F336 HydrophobicContact CG2-CG 4.04Å; I325-Y339 HydrophobicContact CD1-CD1 4.29Å; I325-Y339 HydrophobicContact CD1-CD2 4.05Å; I325-Y339 HydrophobicContact CD1-CG 3.76Å
326N97.7Very high96.1Very high0 Ų034.9 Ų34.90%020%0.202CC..EExtended strand (participates in β ladder)trans-107.1111.1179.5178.519.2000109.4D280 D281 L284 S328 G329 L467 Y471D280-N326 HydrophobicContact CB-CB 4.25Å; D280-N326 PolarHBondContact O-ND2 3.07Å; D281-N326 VanDerWaalsContact OD1-CB 3.32Å; D281-N326 WeakPolarHBondContact OD1-CB 3.31Å; D281-N326 PolarHBondContact OD1-N 3.1Å; L284-N326 HydrophobicContact CD2-CB 4.38Å; N326-S328 PolarHBondContact O-N 2.65Å; N326-G329 WeakPolarHBondContact OD1-CA 3.43Å; N326-G329 PolarHBondContact OD1-N 2.71Å; N326-L467 WeakPolarHBondContact ND2-CD2 3.36Å; N326-Y471 PolarHBondContact ND2-OH 3.22Å
327E95.2Very high96.1Very high83 Ų8333.7 Ų33.739%0.38819%0.185SC..EExtended strand (participates in β ladder)trans-102.280.7179.6-67.5177.5156.200108.9G329 H330 R335E327-G329 PolarHBondContact O-N 3.42Å; E327-H330 PolarHBondContact N-O 3.22Å; E327-H330 PolarHBondContact O-N 3.05Å; E327-R335 IonicContact OE1-CZ 3.79Å; E327-R335 IonicContact OE1-NH1 3.15Å; E327-R335 PolarHBondContact OE1-NH1 3.45Å
328S92.5Very high96.1Very high51 Ų5138 Ų3836%0.35720%0.201SC..THydrogen-bonded Turntrans55.350.4-179.8-61.20000113K277 D280 N326 H472K277-S328 PolarHBondContact NZ-OG 3.11Å; D280-S328 PolarHBondContact OD2-N 3.44Å; N326-S328 PolarHBondContact O-N 2.65Å; S328-H472 PolarHBondContact O-CE1 2.96Å; S328-H472 PolarHBondContact O-NE2 2.93Å
329G94.6Very high96.1Very high0 Ų038 Ų380%020%0.201CC..THydrogen-bonded Turntrans87.7-0.5179.700000114.4N326 E327 Q464 H468N326-G329 WeakPolarHBondContact OD1-CA 3.43Å; N326-G329 PolarHBondContact OD1-N 2.71Å; E327-G329 PolarHBondContact O-N 3.42Å; G329-Q464 PolarHBondContact O-NE2 3Å; G329-H468 PolarHBondContact O-CE1 3.03Å; G329-H468 VanDerWaalsContact O-CE1 3.26Å; G329-H468 PolarHBondContact O-ND1 3.42Å; G329-H468 VanDerWaalsContact O-ND1 3.11Å
330H96.9Very high96.1Very high99 Ų9936.6 Ų36.646%0.45819%0.191SC..EExtended strand (participates in β ladder)trans-104.9124.1172.6-66.2-83.7000110.9E327 H468 H472E327-H330 PolarHBondContact N-O 3.22Å; E327-H330 PolarHBondContact O-N 3.05Å; H330-H468 AromaticContact CE1-CE1 3.37Å; H330-H468 PolarHBondContact CE1-CE1 3.33Å; H330-H468 AromaticContact ND1-CE1 3.37Å; H330-H468 PolarHBondContact ND1-CE1 3.49Å; H330-H472 AromaticContact CD2-CE1 3.72Å; H330-H472 AromaticContact NE2-CE1 3.38Å; H330-H472 PolarHBondContact NE2-CE1 2.7Å
331L97.1Very high96Very high17 Ų1734.8 Ų34.89%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-75.9130176.7-72173.8000111.4L284 I325 L333 F336 V460 I463 Q464 L467L284-L331 HydrophobicContact CD1-CD2 4.12Å; L284-L331 HydrophobicContact CD2-CD2 3.76Å; I325-L331 HydrophobicContact CG2-CD2 4.45Å; L331-L333 HydrophobicContact CB-CD2 3.96Å; L331-L333 HydrophobicContact CD1-CD2 4.3Å; L331-L333 PolarHBondContact O-N 3.35Å; L331-F336 HydrophobicContact CD1-CD1 4.06Å; L331-F336 HydrophobicContact CD1-CE1 4.1Å; L331-F336 HydrophobicContact CD2-CD1 4.37Å; L331-F336 HydrophobicContact CD2-CG 4.36Å; L331-V460 HydrophobicContact CD1-CG1 4.5Å; L331-I463 HydrophobicContact CD1-CB 4.4Å; L331-I463 HydrophobicContact CD1-CG2 3.97Å; L331-Q464 HydrophobicContact CD1-CB 4.17Å; L331-L467 HydrophobicContact CD1-CD1 4.16Å; L331-L467 HydrophobicContact CD2-CD1 3.45Å; L331-L467 VanDerWaalsContact CD2-CD1 3.45Å; L331-L467 HydrophobicContact CG-CD1 3.5Å
332N97.6Very high96.1Very high36 Ų3638.6 Ų38.619%0.19320%0.204CC..  trans-82.190.9161.6-167.7-61.4000109.1I325 P334 R335 F336I325-N332 PolarHBondContact O-N 2.93Å; N332-P334 WeakPolarHBondContact OD1-CD 3.49Å; N332-R335 HydrophobicContact CB-CB 4.17Å; N332-R335 HydrophobicContact CB-CG 4.32Å; N332-R335 PolarHBondContact ND2-NH1 3.23Å; N332-R335 PolarHBondContact O-N 2.95Å; N332-R335 VanDerWaalsContact OD1-CG 3.32Å; N332-R335 WeakPolarHBondContact OD1-CG 3.49Å; N332-R335 PolarHBondContact OD1-N 3.41Å; N332-F336 WeakPolarHBondContact O-CB 3.39Å; N332-F336 PolarHBondContact O-N 3.35Å
333L96.9Very high96.3Very high19 Ų1936.6 Ų36.610%0.09918%0.183CC..Hα-helixtrans-55.8-40.9-172.7-59.1176.5000114.5L331 R335 F336 E337 V460 L498 I500L331-L333 HydrophobicContact CB-CD2 3.96Å; L331-L333 HydrophobicContact CD1-CD2 4.3Å; L331-L333 PolarHBondContact O-N 3.35Å; L333-R335 PolarHBondContact O-N 3.35Å; L333-F336 PolarHBondContact O-N 3.18Å; L333-E337 VanDerWaalsContact O-CB 3.3Å; L333-E337 WeakPolarHBondContact O-CB 3.47Å; L333-E337 PolarHBondContact O-N 3.23Å; L333-V460 HydrophobicContact CD2-CG1 3.69Å; L333-L498 HydrophobicContact CD1-CB 4.03Å; L333-L498 VanDerWaalsContact CD1-O 3.26Å; L333-L498 WeakPolarHBondContact CD1-O 3.38Å; L333-I500 HydrophobicContact CD1-CD1 4.34Å; L333-I500 HydrophobicContact CD2-CD1 4.27Å
334P97.1Very high96.2Very high69 Ų6936.9 Ų36.945%0.44818%0.184SC..Hα-helixtrans-59.6-41.6173.7-26.435000113.9N332 R338N332-P334 WeakPolarHBondContact OD1-CD 3.49Å; P334-R338 PolarHBondContact O-N 3.38Å
335R97.3Very high95.9Very high47 Ų4738.7 Ų38.718%0.17720%0.195CC..Hα-helixtrans-71.1-41.4177.3-68.2177.1-174.2147.95.4111.4L321 G322 G323 Y324 I325 E327 N332 L333 R338 Y339L321-R335 HydrophobicContact CB-CB 4.45Å; L321-R335 HydrophobicContact CB-CG 4.1Å; L321-R335 HydrophobicContact CD1-CB 4.24Å; L321-R335 HydrophobicContact CD2-CB 4.49Å; L321-R335 PolarHBondContact O-NE 3.11Å; G322-R335 PolarHBondContact O-NH2 2.78Å; G323-R335 VanDerWaalsContact CA-CZ 3.5Å; Y324-R335 WeakPolarHBondContact O-CD 3.26Å; Y324-R335 PolarHBondContact O-NH1 3.07Å; I325-R335 HydrophobicContact CG1-CB 4.46Å; E327-R335 IonicContact OE1-CZ 3.79Å; E327-R335 IonicContact OE1-NH1 3.15Å; E327-R335 PolarHBondContact OE1-NH1 3.45Å; N332-R335 HydrophobicContact CB-CB 4.17Å; N332-R335 HydrophobicContact CB-CG 4.32Å; N332-R335 PolarHBondContact ND2-NH1 3.23Å; N332-R335 PolarHBondContact O-N 2.95Å; N332-R335 VanDerWaalsContact OD1-CG 3.32Å; N332-R335 WeakPolarHBondContact OD1-CG 3.49Å; N332-R335 PolarHBondContact OD1-N 3.41Å; L333-R335 PolarHBondContact O-N 3.35Å; R335-R338 PolarHBondContact O-N 3.14Å; R335-Y339 PolarHBondContact O-N 3.32Å; R335-Y339 VanDerWaalsContact O-N 3.07Å
336F97.3Very high95.5Very high1 Ų139.7 Ų39.70%0.00420%0.199CC..Hα-helixtrans-64.2-41.6178.6-172.7-137000112L284 L288 I325 L331 N332 L333 R338 Y339 L340 V460 I463 I495L284-F336 HydrophobicContact CD1-CE2 4.29Å; L284-F336 HydrophobicContact CD1-CZ 4.42Å; L284-F336 HydrophobicContact CD2-CD2 4.14Å; L284-F336 HydrophobicContact CD2-CE2 4.07Å; L284-F336 HydrophobicContact CG-CE2 4.47Å; L288-F336 HydrophobicContact CD1-CE2 4.34Å; L288-F336 HydrophobicContact CD2-CZ 4.22Å; I325-F336 HydrophobicContact CG2-CB 3.68Å; I325-F336 HydrophobicContact CG2-CD2 3.71Å; I325-F336 HydrophobicContact CG2-CG 4.04Å; L331-F336 HydrophobicContact CD1-CD1 4.06Å; L331-F336 HydrophobicContact CD1-CE1 4.1Å; L331-F336 HydrophobicContact CD2-CD1 4.37Å; L331-F336 HydrophobicContact CD2-CG 4.36Å; N332-F336 WeakPolarHBondContact O-CB 3.39Å; N332-F336 PolarHBondContact O-N 3.35Å; L333-F336 PolarHBondContact O-N 3.18Å; F336-R338 PolarHBondContact O-N 2.95Å; F336-Y339 HydrophobicContact CD2-CD1 4.36Å; F336-Y339 HydrophobicContact CE2-CD1 4.37Å; F336-Y339 WeakPolarHBondContact O-CB 3.5Å; F336-Y339 PolarHBondContact O-N 3.3Å; F336-L340 HydrophobicContact CD1-CD1 4.06Å; F336-L340 HydrophobicContact CD2-CD1 4.44Å; F336-L340 HydrophobicContact CD2-CG 4.16Å; F336-L340 HydrophobicContact CE1-CD1 3.68Å; F336-L340 HydrophobicContact CE1-CG 4.36Å; F336-L340 HydrophobicContact CE2-CD1 4.09Å; F336-L340 HydrophobicContact CE2-CD2 3.92Å; F336-L340 HydrophobicContact CE2-CG 3.86Å; F336-L340 HydrophobicContact CG-CD1 4.43Å; F336-L340 HydrophobicContact CZ-CD1 3.7Å; F336-L340 HydrophobicContact CZ-CD2 4.01Å; F336-L340 HydrophobicContact CZ-CG 3.97Å; F336-L340 WeakPolarHBondContact O-CG 3.49Å; F336-L340 PolarHBondContact O-N 3.11Å; F336-V460 HydrophobicContact CE1-CG1 4.47Å; F336-V460 HydrophobicContact CE1-CG2 4.42Å; F336-I463 HydrophobicContact CZ-CG2 4.48Å; F336-I495 HydrophobicContact CD1-CD1 3.96Å; F336-I495 HydrophobicContact CE1-CD1 4.48Å
337E96.4Very high95.2Very high34 Ų3439.9 Ų39.916%0.15920%0.2CC..Hα-helixtrans-57.6-47.5174.2179.2164.7-105.100111.5L333 Y339 L340 V341 S494 I495 S496L333-E337 VanDerWaalsContact O-CB 3.3Å; L333-E337 WeakPolarHBondContact O-CB 3.47Å; L333-E337 PolarHBondContact O-N 3.23Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-Y339 PolarHBondContact O-N 2.9Å; E337-L340 PolarHBondContact O-N 3.32Å; E337-V341 HydrophobicContact CG-CG2 4.34Å; E337-V341 WeakPolarHBondContact O-CB 3.49Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.24Å; E337-V341 PolarHBondContact O-N 2.95Å; E337-S494 WeakPolarHBondContact OE1-CA 3.34Å; E337-S494 PolarHBondContact OE1-N 2.85Å; E337-I495 HydrophobicContact CB-CD1 4.14Å; E337-I495 HydrophobicContact CB-CG1 3.75Å; E337-I495 HydrophobicContact CG-CG1 4.12Å; E337-I495 PolarHBondContact OE1-N 3.31Å; E337-S496 WeakPolarHBondContact OE2-CB 3.33Å; E337-S496 PolarHBondContact OE2-OG 2.95Å
338R96.4Very high95Very high106 Ų10639.6 Ų39.640%0.420%0.196SC..Hα-helixtrans-61.1-39177.1-71.5-174.768.2-167.7-2.4112.5E320 L321 P334 R335 F336 K342E320-R338 PolarHBondContact O-NH1 3.39Å; E320-R338 IonicContact OE2-NH2 3.48Å; E320-R338 PolarHBondContact OE2-NH2 3.18Å; L321-R338 HydrophobicContact CD2-CB 3.71Å; L321-R338 HydrophobicContact CD2-CG 4.49Å; P334-R338 PolarHBondContact O-N 3.38Å; R335-R338 PolarHBondContact O-N 3.14Å; F336-R338 PolarHBondContact O-N 2.95Å; R338-K342 PolarHBondContact O-N 3.44Å
339Y96.9Very high94.8Very high1 Ų143 Ų430%0.00421%0.206CC..Hα-helixtrans-63-48.5174.2177.2-104000111.8L288 L310 T313 Y314 I317 I325 R335 F336 E337 V341 K342 L343L288-Y339 HydrophobicContact CD1-CE1 3.92Å; L310-Y339 HydrophobicContact CD2-CE1 4.44Å; L310-Y339 WeakPolarHBondContact CD2-OH 3.2Å; L310-Y339 PolarHBondContact O-OH 3.18Å; L310-Y339 VanDerWaalsContact O-OH 3.04Å; T313-Y339 HydrophobicContact CG2-CD2 4.17Å; T313-Y339 HydrophobicContact CG2-CE2 3.82Å; Y314-Y339 HydrophobicContact CD2-CD2 4.47Å; Y314-Y339 HydrophobicContact CD2-CE2 4.29Å; I317-Y339 HydrophobicContact CG2-CD2 3.82Å; I325-Y339 HydrophobicContact CD1-CD1 4.29Å; I325-Y339 HydrophobicContact CD1-CD2 4.05Å; I325-Y339 HydrophobicContact CD1-CG 3.76Å; R335-Y339 PolarHBondContact O-N 3.32Å; R335-Y339 VanDerWaalsContact O-N 3.07Å; F336-Y339 HydrophobicContact CD2-CD1 4.36Å; F336-Y339 HydrophobicContact CE2-CD1 4.37Å; F336-Y339 WeakPolarHBondContact O-CB 3.5Å; F336-Y339 PolarHBondContact O-N 3.3Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-Y339 PolarHBondContact O-N 2.9Å; Y339-V341 PolarHBondContact O-N 3.31Å; Y339-K342 PolarHBondContact O-N 3.18Å; Y339-L343 HydrophobicContact CE1-CD2 4.12Å; Y339-L343 WeakPolarHBondContact O-CB 3.32Å; Y339-L343 PolarHBondContact O-N 3.23Å
340L95.8Very high94.4Very high2 Ų245 Ų451%0.0122%0.215CC..Hα-helixtrans-65.1-38.5179.1-70.2179.7000112.8L288 F336 E337 K342 L343 S344 L489 I492 I495L288-L340 HydrophobicContact CD1-CD2 4.47Å; F336-L340 HydrophobicContact CD1-CD1 4.06Å; F336-L340 HydrophobicContact CD2-CD1 4.44Å; F336-L340 HydrophobicContact CD2-CG 4.16Å; F336-L340 HydrophobicContact CE1-CD1 3.68Å; F336-L340 HydrophobicContact CE1-CG 4.36Å; F336-L340 HydrophobicContact CE2-CD1 4.09Å; F336-L340 HydrophobicContact CE2-CD2 3.92Å; F336-L340 HydrophobicContact CE2-CG 3.86Å; F336-L340 HydrophobicContact CG-CD1 4.43Å; F336-L340 HydrophobicContact CZ-CD1 3.7Å; F336-L340 HydrophobicContact CZ-CD2 4.01Å; F336-L340 HydrophobicContact CZ-CG 3.97Å; F336-L340 WeakPolarHBondContact O-CG 3.49Å; F336-L340 PolarHBondContact O-N 3.11Å; E337-L340 PolarHBondContact O-N 3.32Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 3.33Å; L340-L343 HydrophobicContact CD2-CD2 4.41Å; L340-L343 CarbonylContact O-C 3.47Å; L340-L343 PolarHBondContact O-N 2.86Å; L340-S344 WeakPolarHBondContact O-CB 3.22Å; L340-S344 PolarHBondContact O-N 3.13Å; L340-L489 HydrophobicContact CD2-CD2 3.9Å; L340-I492 HydrophobicContact CD1-CB 4.34Å; L340-I492 HydrophobicContact CD1-CG2 3.72Å; L340-I495 HydrophobicContact CD1-CD1 4Å
341V94.8Very high94Very high79 Ų7940.4 Ų40.448%0.47919%0.194SC..Hα-helixtrans-58.9-46.7174.8167.40000110E337 Y339 S344E337-V341 HydrophobicContact CG-CG2 4.34Å; E337-V341 WeakPolarHBondContact O-CB 3.49Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.24Å; E337-V341 PolarHBondContact O-N 2.95Å; Y339-V341 PolarHBondContact O-N 3.31Å; V341-S344 WeakPolarHBondContact O-CB 3.49Å; V341-S344 PolarHBondContact O-N 3.12Å; V341-S344 PolarHBondContact O-OG 3.25Å
342K95.3Very high93.5Very high94 Ų9442.1 Ų42.141%0.40921%0.207SC..Hα-helixtrans-67.2-39.8177.2-174.960.5-171.7156.70112.2T313 I317 R338 Y339 L340 S344 D345T313-K342 HydrophobicContact CG2-CB 4.18Å; T313-K342 HydrophobicContact CG2-CG 3.87Å; I317-K342 HydrophobicContact CD1-CB 4.49Å; R338-K342 PolarHBondContact O-N 3.44Å; Y339-K342 PolarHBondContact O-N 3.18Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 3.33Å; K342-S344 PolarHBondContact O-N 3.33Å; K342-D345 WeakPolarHBondContact CE-OD2 3.45Å; K342-D345 IonicContact NZ-OD2 3.94Å; K342-D345 PolarHBondContact NZ-OD2 2.68Å; K342-D345 WeakPolarHBondContact O-CB 3.34Å; K342-D345 PolarHBondContact O-N 2.77Å
343L94.3Very high92.8Very high2 Ų246.6 Ų46.61%0.0123%0.227CC..Hα-helixtrans-64.8-26.6176.6-17164000112.1L309 L310 T313 Y339 L340 D345 F346 L489L309-L343 HydrophobicContact CD2-CD1 4.42Å; L309-L343 HydrophobicContact CG-CD1 4.27Å; L310-L343 HydrophobicContact CD2-CD1 3.83Å; L310-L343 HydrophobicContact CD2-CD2 3.49Å; L310-L343 VanDerWaalsContact CD2-CD2 3.49Å; L310-L343 HydrophobicContact CD2-CG 4.32Å; T313-L343 HydrophobicContact CG2-CB 4.28Å; T313-L343 HydrophobicContact CG2-CD1 4.34Å; Y339-L343 HydrophobicContact CE1-CD2 4.12Å; Y339-L343 WeakPolarHBondContact O-CB 3.32Å; Y339-L343 PolarHBondContact O-N 3.23Å; L340-L343 HydrophobicContact CD2-CD2 4.41Å; L340-L343 CarbonylContact O-C 3.47Å; L340-L343 PolarHBondContact O-N 2.86Å; L343-D345 PolarHBondContact O-N 3.21Å; L343-D345 VanDerWaalsContact O-N 3.17Å; L343-F346 WeakPolarHBondContact O-CB 3.49Å; L343-F346 PolarHBondContact O-N 3.46Å; L343-L489 HydrophobicContact CD2-CD1 4.1Å; L343-L489 HydrophobicContact CD2-CD2 3.91Å; L343-L489 HydrophobicContact CG-CD1 3.92Å; L343-L489 HydrophobicContact CG-CD2 4.39Å
344S93.8Very high92Very high12 Ų1247.5 Ų47.58%0.08423%0.233CC..THydrogen-bonded Turntrans-67.6-11.1-18081.30000114.8L340 V341 K342 F346 D347L340-S344 WeakPolarHBondContact O-CB 3.22Å; L340-S344 PolarHBondContact O-N 3.13Å; V341-S344 WeakPolarHBondContact O-CB 3.49Å; V341-S344 PolarHBondContact O-N 3.12Å; V341-S344 PolarHBondContact O-OG 3.25Å; K342-S344 PolarHBondContact O-N 3.33Å; S344-F346 PolarHBondContact O-N 2.78Å; S344-D347 PolarHBondContact O-N 3.38Å; S344-D347 VanDerWaalsContact O-N 3.15Å
345D91.5Very high91.1Very high57 Ų5745.5 Ų45.531%0.30522%0.217SC..Hα-helixtrans-57.4-31.3167.8-67.3-15.7000110.5K342 L343 D347 R348 E349K342-D345 WeakPolarHBondContact CE-OD2 3.45Å; K342-D345 IonicContact NZ-OD2 3.94Å; K342-D345 PolarHBondContact NZ-OD2 2.68Å; K342-D345 WeakPolarHBondContact O-CB 3.34Å; K342-D345 PolarHBondContact O-N 2.77Å; L343-D345 PolarHBondContact O-N 3.21Å; L343-D345 VanDerWaalsContact O-N 3.17Å; D345-D347 VanDerWaalsContact C-N 3.31Å; D345-D347 PolarHBondContact O-N 3.39Å; D345-R348 WeakPolarHBondContact O-CB 3.28Å; D345-R348 PolarHBondContact O-N 3.09Å; D345-E349 PolarHBondContact O-N 3.1Å
346F90.9Very high90.1Very high25 Ų2547.5 Ų47.511%0.1124%0.235CC..Hα-helixtrans-54.9-42.2174175.7-106.2000113.4H299 L300 L309 L343 S344 R348 E349 H350 L489H299-F346 HydrophobicContact CB-CE1 4Å; H299-F346 HydrophobicContact CB-CZ 4.16Å; L300-F346 HydrophobicContact CB-CE1 4.26Å; L300-F346 HydrophobicContact CD1-CD1 4.36Å; L300-F346 HydrophobicContact CD1-CE1 4.17Å; L300-F346 HydrophobicContact CD1-CZ 4.37Å; L309-F346 HydrophobicContact CD2-CB 4.05Å; L309-F346 HydrophobicContact CD2-CD2 3.26Å; L309-F346 HydrophobicContact CD2-CE2 3.85Å; L309-F346 HydrophobicContact CD2-CG 3.77Å; L343-F346 WeakPolarHBondContact O-CB 3.49Å; L343-F346 PolarHBondContact O-N 3.46Å; S344-F346 PolarHBondContact O-N 2.78Å; F346-R348 PolarHBondContact O-N 2.55Å; F346-E349 PolarHBondContact O-N 3.17Å; F346-H350 WeakPolarHBondContact O-CB 3.47Å; F346-H350 PolarHBondContact O-N 2.98Å; F346-L489 HydrophobicContact CD1-CD1 4.22Å
347D91.1Very high89Confident4 Ų452 Ų522%0.02126%0.259CS..Hα-helixtrans-62.6-34.4-180-69.7-14.7000110.9S344 D345 F351 F430 F488 L489 S490S344-D347 PolarHBondContact O-N 3.38Å; S344-D347 VanDerWaalsContact O-N 3.15Å; D345-D347 VanDerWaalsContact C-N 3.31Å; D345-D347 PolarHBondContact O-N 3.39Å; D347-F351 VanDerWaalsContact O-CB 3.29Å; D347-F351 WeakPolarHBondContact O-CB 3.31Å; D347-F351 PolarHBondContact O-N 2.63Å; D347-F430 HydrophobicContact CB-CE2 4.17Å; D347-F430 HydrophobicContact CB-CZ 3.68Å; D347-F488 HydrophobicContact CB-CD1 4.4Å; D347-L489 PolarHBondContact OD2-N 3.31Å; D347-S490 VanDerWaalsContact OD2-CB 3.27Å; D347-S490 WeakPolarHBondContact OD2-CB 3.24Å; D347-S490 PolarHBondContact OD2-N 2.68Å; D347-S490 PolarHBondContact OD2-OG 3.12Å
348R89.6Confident87.8Confident77 Ų7754 Ų5429%0.29127%0.27SS..Hα-helixtrans-75.1-44.9179.3-70.7173.1172.464.98.2111.4D345 F346 H350 F351 S352 E427 F430D345-R348 WeakPolarHBondContact O-CB 3.28Å; D345-R348 PolarHBondContact O-N 3.09Å; F346-R348 PolarHBondContact O-N 2.55Å; R348-H350 VanDerWaalsContact C-N 3.32Å; R348-H350 PolarHBondContact O-N 3.46Å; R348-F351 PolarHBondContact O-N 2.89Å; R348-S352 WeakPolarHBondContact O-CB 3.47Å; R348-S352 PolarHBondContact O-N 2.62Å; R348-E427 IonicContact NE-OE2 4Å; R348-E427 IonicContact NH2-OE2 3.42Å; R348-E427 PolarHBondContact NH2-OE2 3.31Å; R348-F430 HydrophobicContact CG-CD1 4.48Å; R348-F430 HydrophobicContact CG-CE1 4.09Å; R348-F430 HydrophobicContact CG-CZ 4.38Å
349E88.9Confident86.7Confident122 Ų12253 Ų5357%0.5727%0.269SS*.Hα-helixtrans-58.6-47175.3-70.4177.5178.800110.5D345 F346 F351 S352 E353D345-E349 PolarHBondContact O-N 3.1Å; F346-E349 PolarHBondContact O-N 3.17Å; E349-F351 PolarHBondContact O-N 3.14Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.19Å; E349-E353 PolarHBondContact O-N 3.16Å
350H86.9Confident85.4Confident41 Ų4159.1 Ų59.119%0.1929%0.292CS..Hα-helixtrans-62.9-44.5176.7-173.859.7000112.4H299 F346 R348 S352 E353 V354H299-H350 AromaticContact CD2-CD2 3.61Å; H299-H350 AromaticContact CD2-NE2 3.89Å; H299-H350 AromaticContact CE1-CD2 3.84Å; H299-H350 AromaticContact CE1-NE2 3.37Å; H299-H350 PolarHBondContact CE1-NE2 3.26Å; H299-H350 AromaticContact CG-CD2 3.37Å; H299-H350 AromaticContact CG-NE2 3.34Å; H299-H350 VanDerWaalsContact CG-NE2 3.34Å; H299-H350 AromaticContact ND1-CD2 3.54Å; H299-H350 AromaticContact ND1-CE1 3.82Å; H299-H350 AromaticContact ND1-NE2 2.98Å; H299-H350 PolarHBondContact ND1-NE2 3.49Å; H299-H350 AromaticContact NE2-CD2 3.94Å; H299-H350 AromaticContact NE2-NE2 3.95Å; F346-H350 WeakPolarHBondContact O-CB 3.47Å; F346-H350 PolarHBondContact O-N 2.98Å; R348-H350 VanDerWaalsContact C-N 3.32Å; R348-H350 PolarHBondContact O-N 3.46Å; H350-S352 VanDerWaalsContact C-N 3.28Å; H350-S352 PolarHBondContact O-N 2.87Å; H350-E353 IonicContact ND1-OE2 3.14Å; H350-E353 PolarHBondContact O-N 3.12Å; H350-V354 WeakPolarHBondContact O-CG2 3.46Å; H350-V354 PolarHBondContact O-N 2.92Å
351F87.8Confident83.9Confident4 Ų464.5 Ų64.52%0.01832%0.315CS..Hα-helixtrans-63.7-35.4176.8-179.9-112.4000111.9D347 R348 E349 E353 V354 F355 F426 E429 F430 Y433D347-F351 VanDerWaalsContact O-CB 3.29Å; D347-F351 WeakPolarHBondContact O-CB 3.31Å; D347-F351 PolarHBondContact O-N 2.63Å; R348-F351 PolarHBondContact O-N 2.89Å; E349-F351 PolarHBondContact O-N 3.14Å; F351-E353 VanDerWaalsContact C-N 3.3Å; F351-E353 PolarHBondContact O-N 2.99Å; F351-V354 PolarHBondContact O-N 3.46Å; F351-F355 HydrophobicContact CD1-CB 4.48Å; F351-F355 HydrophobicContact CE1-CB 4.17Å; F351-F355 HydrophobicContact CE1-CD2 4.12Å; F351-F355 HydrophobicContact CE1-CG 4.29Å; F351-F355 HydrophobicContact CZ-CB 4.23Å; F351-F355 AromaticContact CZ-CD2 3.9Å; F351-F355 HydrophobicContact CZ-CD2 3.9Å; F351-F355 HydrophobicContact CZ-CG 4.38Å; F351-F355 WeakPolarHBondContact O-CB 3.46Å; F351-F355 PolarHBondContact O-N 2.82Å; F351-F426 HydrophobicContact CD1-CD2 4.18Å; F351-F426 HydrophobicContact CD1-CE1 4.3Å; F351-F426 AromaticContact CD1-CE2 3.47Å; F351-F426 HydrophobicContact CD1-CE2 3.47Å; F351-F426 VanDerWaalsContact CD1-CE2 3.47Å; F351-F426 AromaticContact CD1-CZ 3.56Å; F351-F426 HydrophobicContact CD1-CZ 3.56Å; F351-F426 HydrophobicContact CE1-CD2 4.08Å; F351-F426 AromaticContact CE1-CE2 3.82Å; F351-F426 HydrophobicContact CE1-CE2 3.82Å; F351-F426 HydrophobicContact CE1-CZ 4.25Å; F351-E429 HydrophobicContact CE1-CB 4.21Å; F351-E429 HydrophobicContact CZ-CB 3.95Å; F351-F430 HydrophobicContact CB-CD2 3.58Å; F351-F430 HydrophobicContact CB-CE2 3.85Å; F351-F430 HydrophobicContact CD1-CB 3.59Å; F351-F430 AromaticContact CD1-CD2 3.59Å; F351-F430 HydrophobicContact CD1-CD2 3.59Å; F351-F430 AromaticContact CD1-CG 3.95Å; F351-F430 HydrophobicContact CD1-CG 3.95Å; F351-F430 HydrophobicContact CD2-CD2 4.1Å; F351-F430 VanDerWaalsContact CE1-CA 3.45Å; F351-F430 HydrophobicContact CE1-CB 3.61Å; F351-F430 HydrophobicContact CE1-CD2 4.31Å; F351-F430 HydrophobicContact CE1-CG 4.43Å; F351-F430 HydrophobicContact CG-CB 4.33Å; F351-F430 AromaticContact CG-CD2 3.47Å; F351-F430 HydrophobicContact CG-CD2 3.47Å; F351-F430 VanDerWaalsContact CG-CD2 3.47Å; F351-F430 HydrophobicContact CG-CE2 4.23Å; F351-F430 HydrophobicContact CG-CG 4.3Å; F351-F430 HydrophobicContact CZ-CB 4.35Å; F351-Y433 AromaticContact CD2-CD1 3.77Å; F351-Y433 HydrophobicContact CD2-CD1 3.77Å; F351-Y433 HydrophobicContact CD2-CD2 4.14Å; F351-Y433 HydrophobicContact CD2-CE1 4.26Å; F351-Y433 AromaticContact CD2-CG 3.71Å; F351-Y433 HydrophobicContact CD2-CG 3.71Å; F351-Y433 HydrophobicContact CE2-CD1 4.14Å; F351-Y433 AromaticContact CE2-CD2 3.89Å; F351-Y433 HydrophobicContact CE2-CD2 3.89Å; F351-Y433 AromaticContact CE2-CG 3.59Å; F351-Y433 HydrophobicContact CE2-CG 3.59Å
352S86Confident82.8Confident53 Ų5363.1 Ų63.137%0.37130%0.303SS..Hα-helixtrans-58.7-41.1175.6-173.20000112.2R348 E349 H350 F355 V356R348-S352 WeakPolarHBondContact O-CB 3.47Å; R348-S352 PolarHBondContact O-N 2.62Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.19Å; H350-S352 VanDerWaalsContact C-N 3.28Å; H350-S352 PolarHBondContact O-N 2.87Å; S352-F355 PolarHBondContact O-N 3.31Å; S352-V356 VanDerWaalsContact O-CG2 3.31Å; S352-V356 WeakPolarHBondContact O-CG2 3.29Å; S352-V356 PolarHBondContact O-N 2.82Å; S352-V356 VanDerWaalsContact O-N 3.07Å
353E83Confident81.6Confident130 Ų13063.6 Ų63.661%0.60732%0.319SS*.Hα-helixtrans-62.8-48.5175.4-64.1178.6164.300111.3E349 H350 F351 F355 V356 D357E349-E353 PolarHBondContact O-N 3.16Å; H350-E353 IonicContact ND1-OE2 3.14Å; H350-E353 PolarHBondContact O-N 3.12Å; F351-E353 VanDerWaalsContact C-N 3.3Å; F351-E353 PolarHBondContact O-N 2.99Å; E353-F355 VanDerWaalsContact C-N 3.3Å; E353-F355 PolarHBondContact O-N 3.5Å; E353-V356 PolarHBondContact O-N 3.29Å; E353-D357 PolarHBondContact O-N 3.2Å
354V80.3Confident80.3Confident37 Ų3770.2 Ų70.222%0.22435%0.348CS..Hα-helixtrans-64-37.8178.7179.90000111.4H350 F351 D357 L358 Y433H350-V354 WeakPolarHBondContact O-CG2 3.46Å; H350-V354 PolarHBondContact O-N 2.92Å; F351-V354 PolarHBondContact O-N 3.46Å; V354-D357 PolarHBondContact O-N 3.37Å; V354-L358 HydrophobicContact CG1-CD1 3.93Å; V354-L358 HydrophobicContact CG1-CG 4.27Å; V354-L358 WeakPolarHBondContact O-CB 3.35Å; V354-L358 VanDerWaalsContact O-CG 3.3Å; V354-L358 WeakPolarHBondContact O-CG 3.49Å; V354-L358 PolarHBondContact O-N 3.17Å; V354-Y433 HydrophobicContact CG1-CE2 4.49Å
355F78.4Confident78.9Confident28 Ų2874 Ų7412%0.12337%0.37CS..Hα-helixtrans-67.1-39.5-178.9-176.5-114.3000112F351 S352 E353 D357 L358 K359 F426 E429F351-F355 HydrophobicContact CD1-CB 4.48Å; F351-F355 HydrophobicContact CE1-CB 4.17Å; F351-F355 HydrophobicContact CE1-CD2 4.12Å; F351-F355 HydrophobicContact CE1-CG 4.29Å; F351-F355 HydrophobicContact CZ-CB 4.23Å; F351-F355 AromaticContact CZ-CD2 3.9Å; F351-F355 HydrophobicContact CZ-CD2 3.9Å; F351-F355 HydrophobicContact CZ-CG 4.38Å; F351-F355 WeakPolarHBondContact O-CB 3.46Å; F351-F355 PolarHBondContact O-N 2.82Å; S352-F355 PolarHBondContact O-N 3.31Å; E353-F355 VanDerWaalsContact C-N 3.3Å; E353-F355 PolarHBondContact O-N 3.5Å; F355-D357 VanDerWaalsContact C-N 3.34Å; F355-L358 PolarHBondContact O-N 2.9Å; F355-K359 HydrophobicContact CD1-CD 4.26Å; F355-K359 HydrophobicContact CE1-CD 3.72Å; F355-K359 VanDerWaalsContact CE1-CE 3.46Å; F355-K359 HydrophobicContact CE1-CG 4.47Å; F355-K359 HydrophobicContact CE2-CD 4.41Å; F355-K359 HydrophobicContact CE2-CG 4.43Å; F355-K359 HydrophobicContact CZ-CD 3.84Å; F355-K359 HydrophobicContact CZ-CG 4.35Å; F355-K359 WeakPolarHBondContact O-CB 3.18Å; F355-K359 PolarHBondContact O-N 3.31Å; F355-F426 AromaticContact CD1-CD2 3.99Å; F355-F426 HydrophobicContact CD1-CD2 3.99Å; F355-F426 HydrophobicContact CD1-CE2 4.39Å; F355-F426 HydrophobicContact CE1-CD2 4.15Å; F355-F426 HydrophobicContact CG-CD2 4.41Å; F355-E429 HydrophobicContact CE2-CB 3.99Å; F355-E429 HydrophobicContact CE2-CG 3.95Å
356V76.4Confident76.7Confident89 Ų8974.7 Ų74.754%0.53939%0.391SS..Hα-helixtrans-61.2-44.8172.8170.30000110.6S352 E353 K359 W360S352-V356 VanDerWaalsContact O-CG2 3.31Å; S352-V356 WeakPolarHBondContact O-CG2 3.29Å; S352-V356 PolarHBondContact O-N 2.82Å; S352-V356 VanDerWaalsContact O-N 3.07Å; E353-V356 PolarHBondContact O-N 3.29Å; V356-K359 PolarHBondContact O-N 2.89Å; V356-W360 WeakPolarHBondContact O-CB 3.04Å; V356-W360 PolarHBondContact O-N 3.13Å
357D74.3Confident74.7Confident95 Ų9579 Ų7951%0.50842%0.415SS..Hα-helixtrans-63-46.6176.5-77.4-17.1000111.6E353 V354 F355 K359 W360 F361E353-D357 PolarHBondContact O-N 3.2Å; V354-D357 PolarHBondContact O-N 3.37Å; F355-D357 VanDerWaalsContact C-N 3.34Å; D357-K359 PolarHBondContact O-N 3.29Å; D357-W360 WeakPolarHBondContact O-CB 3.38Å; D357-W360 PolarHBondContact O-N 3.35Å; D357-F361 WeakPolarHBondContact O-CD2 3.47Å; D357-F361 PolarHBondContact O-N 2.99Å
358L71.5Confident72.8Confident76 Ų7686.3 Ų86.340%0.39845%0.447SS..Hα-helixtrans-57.1-49.9176.9-75.3168.8000111.3V354 F355 W360 F361 E362V354-L358 HydrophobicContact CG1-CD1 3.93Å; V354-L358 HydrophobicContact CG1-CG 4.27Å; V354-L358 WeakPolarHBondContact O-CB 3.35Å; V354-L358 VanDerWaalsContact O-CG 3.3Å; V354-L358 WeakPolarHBondContact O-CG 3.49Å; V354-L358 PolarHBondContact O-N 3.17Å; F355-L358 PolarHBondContact O-N 2.9Å; L358-W360 VanDerWaalsContact C-N 3.33Å; L358-W360 PolarHBondContact O-N 2.97Å; L358-F361 PolarHBondContact O-N 3.44Å; L358-E362 WeakPolarHBondContact O-CG 3.45Å; L358-E362 PolarHBondContact O-N 2.92Å
359K72.9Confident70.8Confident85 Ų8590.9 Ų90.937%0.3747%0.465SS..Hα-helixtrans-62.1-38.5176.7-81.2-170.6163.6175.90112.4F355 V356 D357 E362 S363F355-K359 HydrophobicContact CD1-CD 4.26Å; F355-K359 HydrophobicContact CE1-CD 3.72Å; F355-K359 VanDerWaalsContact CE1-CE 3.46Å; F355-K359 HydrophobicContact CE1-CG 4.47Å; F355-K359 HydrophobicContact CE2-CD 4.41Å; F355-K359 HydrophobicContact CE2-CG 4.43Å; F355-K359 HydrophobicContact CZ-CD 3.84Å; F355-K359 HydrophobicContact CZ-CG 4.35Å; F355-K359 WeakPolarHBondContact O-CB 3.18Å; F355-K359 PolarHBondContact O-N 3.31Å; V356-K359 PolarHBondContact O-N 2.89Å; D357-K359 PolarHBondContact O-N 3.29Å; K359-E362 PolarHBondContact O-N 3.16Å; K359-S363 WeakPolarHBondContact O-CB 3.43Å; K359-S363 PolarHBondContact O-N 3.09Å
360W70.5Confident68.8Low130 Ų13088.5 Ų88.549%0.49246%0.456SS..Hα-helixtrans-64.2-42.1175-178.794000112V356 D357 L358 S363 K364V356-W360 WeakPolarHBondContact O-CB 3.04Å; V356-W360 PolarHBondContact O-N 3.13Å; D357-W360 WeakPolarHBondContact O-CB 3.38Å; D357-W360 PolarHBondContact O-N 3.35Å; L358-W360 VanDerWaalsContact C-N 3.33Å; L358-W360 PolarHBondContact O-N 2.97Å; W360-S363 PolarHBondContact O-N 3.16Å; W360-K364 HydrophobicContact CD2-CD 4.47Å; W360-K364 HydrophobicContact CE3-CD 4.45Å; W360-K364 HydrophobicContact CH2-CD 3.74Å; W360-K364 HydrophobicContact CZ2-CD 3.75Å; W360-K364 HydrophobicContact CZ3-CD 4.08Å; W360-K364 PolarHBondContact O-N 3.43Å
361F63.1Low66.9Low114 Ų11492.7 Ų92.750%0.548%0.479SS..Hα-helixtrans-65.5-44.3175.3-87.8-72.9000111.8D357 L358 S363 K364 V365D357-F361 WeakPolarHBondContact O-CD2 3.47Å; D357-F361 PolarHBondContact O-N 2.99Å; L358-F361 PolarHBondContact O-N 3.44Å; F361-S363 VanDerWaalsContact C-N 3.29Å; F361-S363 PolarHBondContact O-N 3.36Å; F361-K364 PolarHBondContact O-N 3.07Å; F361-V365 WeakPolarHBondContact O-CG2 3.36Å; F361-V365 PolarHBondContact O-N 3.14Å
362E71.8Confident65.1Low50 Ų5099.5 Ų99.523%0.23451%0.512CS..Hα-helixtrans-58.2-42174.5-73-172.8147.600111.7L358 K359 K364 V365 G366 Y369L358-E362 WeakPolarHBondContact O-CG 3.45Å; L358-E362 PolarHBondContact O-N 2.92Å; K359-E362 PolarHBondContact O-N 3.16Å; E362-K364 PolarHBondContact O-N 2.79Å; E362-V365 PolarHBondContact O-N 2.82Å; E362-G366 PolarHBondContact O-N 2.93Å; E362-Y369 PolarHBondContact OE1-N 3.43Å
363S69.8Low62.9Low105 Ų105100.5 Ų100.573%0.73452%0.523SS*.Hα-helixtrans-63.2-24.8175.6-179.50000113.6K359 W360 F361K359-S363 WeakPolarHBondContact O-CB 3.43Å; K359-S363 PolarHBondContact O-N 3.09Å; W360-S363 PolarHBondContact O-N 3.16Å; F361-S363 VanDerWaalsContact C-N 3.29Å; F361-S363 PolarHBondContact O-N 3.36Å
364K68.9Low60.9Low141 Ų14195.8 Ų95.861%0.61351%0.506SS*.Hα-helixtrans-94.9-29.9179.8-75-153.8173.7-176.20114.6W360 F361 E362W360-K364 HydrophobicContact CD2-CD 4.47Å; W360-K364 HydrophobicContact CE3-CD 4.45Å; W360-K364 HydrophobicContact CH2-CD 3.74Å; W360-K364 HydrophobicContact CZ2-CD 3.75Å; W360-K364 HydrophobicContact CZ3-CD 4.08Å; W360-K364 PolarHBondContact O-N 3.43Å; F361-K364 PolarHBondContact O-N 3.07Å; E362-K364 PolarHBondContact O-N 2.79Å
365V62.3Low59.1Low91 Ų9195.6 Ų95.655%0.55251%0.511SS*.Hα-helixtrans-98.8-14.8-175.3-172.80000111.6F361 E362 N367F361-V365 WeakPolarHBondContact O-CG2 3.36Å; F361-V365 PolarHBondContact O-N 3.14Å; E362-V365 PolarHBondContact O-N 2.82Å; V365-N367 HydrophobicContact CG1-CB 4.45Å; V365-N367 PolarHBondContact O-N 3.19Å
366G46.2Very low57.4Low72 Ų7296.9 Ų96.974%0.74253%0.528SS*.  trans68.69.7175.800000114.3E362E362-G366 PolarHBondContact O-N 2.93Å
367N48.9Very low55.9Low115 Ų11595.4 Ų95.462%0.61552%0.524SS*.  trans-117.5121.1-179.4-134.510.1000107.9V365 Y369V365-N367 HydrophobicContact CG1-CB 4.45Å; V365-N367 PolarHBondContact O-N 3.19Å; N367-Y369 PolarHBondContact O-N 3.38Å
368K51.4Low54.4Low158 Ų15892.5 Ų92.569%0.68751%0.514SS*.  trans-63.9119.5172.2-81.2-175.8172.5-173.90108.4L370K368-L370 PolarHBondContact O-N 3.37Å; K368-L370 VanDerWaalsContact O-N 3.07Å
369Y48.2Very low53.4Low172 Ų17295.6 Ų95.668%0.67553%0.526SS*.  trans-84.464.9172.5-95.8-85.5000108.8E362 N367E362-Y369 PolarHBondContact OE1-N 3.43Å; N367-Y369 PolarHBondContact O-N 3.38Å
370L47.3Very low52.2Low72 Ų7298.3 Ų98.338%0.37754%0.54SS..  trans-127.8121.6175.3-79.6166.4000111.4K368 E372 E429K368-L370 PolarHBondContact O-N 3.37Å; K368-L370 VanDerWaalsContact O-N 3.07Å; L370-E372 PolarHBondContact O-N 3.37Å; L370-E429 WeakPolarHBondContact CD2-OE1 3.4Å; L370-E429 WeakPolarHBondContact CD2-OE2 3.46Å
371N46.6Very low51Low129 Ų12994.9 Ų94.969%0.6954%0.54SS*.  trans-74.671.2170.3-139-3.1000107.8A373 A374N371-A373 PolarHBondContact O-N 3.11Å; N371-A374 PolarHBondContact O-N 3.26Å
372E48.6Very low50.2Low148 Ų14896.4 Ų96.469%0.69255%0.546SS*.Hα-helixtrans-50.5-27.8180-72.6180162.800112.3L370 A374 A376L370-E372 PolarHBondContact O-N 3.37Å; E372-A374 VanDerWaalsContact C-N 3.33Å; E372-A374 PolarHBondContact O-N 3.45Å; E372-A376 PolarHBondContact O-N 3.11Å
373A41.5Very low48.8Very low74 Ų7498.3 Ų98.361%0.61256%0.558SS**Hα-helixtrans-62.3-31.7178.800000114.3N371 A377N371-A373 PolarHBondContact O-N 3.11Å; A373-A377 PolarHBondContact O-N 2.75Å
374A39.8Very low47.5Very low30 Ų3097.4 Ų97.425%0.24855%0.551CS.*Hα-helixtrans-83.4-33.5-177.400000112.8N371 E372 A378N371-A374 PolarHBondContact O-N 3.26Å; E372-A374 VanDerWaalsContact C-N 3.33Å; E372-A374 PolarHBondContact O-N 3.45Å; A374-A378 PolarHBondContact O-N 3.28Å
375G43.2Very low46.2Very low33 Ų3398.9 Ų98.934%0.3456%0.557SS.*Hα-helixtrans-67.4-43.4174.200000112A377 A378 E379G375-A377 PolarHBondContact O-N 3.38Å; G375-A378 PolarHBondContact O-N 3Å; G375-E379 PolarHBondContact O-N 3.44Å; G375-E379 VanDerWaalsContact O-N 3.17Å
376A42Very low45.3Very low56 Ų56101.6 Ų101.646%0.46356%0.564SS.*Hα-helixtrans-61.3-40.7176.700000112.7E372 A378 E379 E380E372-A376 PolarHBondContact O-N 3.11Å; A376-A378 VanDerWaalsContact C-N 3.33Å; A376-A378 PolarHBondContact O-N 3.05Å; A376-E379 PolarHBondContact O-N 3.49Å; A376-E380 PolarHBondContact O-N 2.96Å; A376-E380 VanDerWaalsContact O-N 3.12Å
377A45.3Very low45Very low57 Ų57106.9 Ų106.947%0.47157%0.566SS.*Hα-helixtrans-66.7-32178.600000113.2A373 G375 A381A373-A377 PolarHBondContact O-N 2.75Å; G375-A377 PolarHBondContact O-N 3.38Å; A377-A381 PolarHBondContact O-N 2.84Å
378A43.5Very low44.4Very low35 Ų35112.1 Ų112.129%0.28958%0.577SS.*Hα-helixtrans-77-36.6178.500000112.7A374 G375 A376 A381 K382A374-A378 PolarHBondContact O-N 3.28Å; G375-A378 PolarHBondContact O-N 3Å; A376-A378 VanDerWaalsContact C-N 3.33Å; A376-A378 PolarHBondContact O-N 3.05Å; A378-A381 PolarHBondContact O-N 3.46Å; A378-K382 PolarHBondContact O-N 3.42Å; A378-K382 VanDerWaalsContact O-N 3.09Å
379E48.9Very low43.4Very low141 Ų141113.1 Ų113.166%0.65958%0.582SS**Hα-helixtrans-65.2-39.8171.7-80.6-153.4145.100112.2G375 A376 A381 K382 N383G375-E379 PolarHBondContact O-N 3.44Å; G375-E379 VanDerWaalsContact O-N 3.17Å; A376-E379 PolarHBondContact O-N 3.49Å; E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.39Å; E379-K382 PolarHBondContact O-N 2.87Å; E379-N383 WeakPolarHBondContact O-CB 3.18Å; E379-N383 PolarHBondContact O-N 3.47Å
380E47.8Very low42.6Very low142 Ų142110.8 Ų110.866%0.66459%0.588SS**Hα-helixtrans-62.4-38.7174.2-85.1-171143.800112.7A376 C384A376-E380 PolarHBondContact O-N 2.96Å; A376-E380 VanDerWaalsContact O-N 3.12Å; E380-C384 PolarHBondContact O-N 2.8Å; E380-C384 PolarHBondContact O-SG 3.12Å
381A47.2Very low42Very low58 Ų58117.8 Ų117.848%0.47962%0.615SS.*Hα-helixtrans-68.7-35176.900000112.8A377 A378 E379 K385A377-A381 PolarHBondContact O-N 2.84Å; A378-A381 PolarHBondContact O-N 3.46Å; E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.39Å; A381-K385 PolarHBondContact O-N 2.87Å
382K44.4Very low41.2Very low145 Ų145115 Ų11563%0.6362%0.617SS**Hα-helixtrans-69.8-44.7174.9-128.6-178.2179.6-172.30111.3A378 E379 C384 K385 E386A378-K382 PolarHBondContact O-N 3.42Å; A378-K382 VanDerWaalsContact O-N 3.09Å; E379-K382 PolarHBondContact O-N 2.87Å; K382-C384 VanDerWaalsContact C-N 3.25Å; K382-C384 PolarHBondContact O-N 2.81Å; K382-K385 PolarHBondContact O-N 3.35Å; K382-E386 PolarHBondContact O-N 3.39Å
383N43.2Very low40.3Very low90 Ų90117.7 Ų117.748%0.48163%0.629SS.*Hα-helixtrans-62.5-28.8175.2-86.7-32.1000113.3E379E379-N383 WeakPolarHBondContact O-CB 3.18Å; E379-N383 PolarHBondContact O-N 3.47Å
384C42.3Very low39.7Very low87 Ų87123.1 Ų123.159%0.58864%0.642SS**Hα-helixtrans-73.4-28.8172.5-79.10000113.8E380 K382E380-C384 PolarHBondContact O-N 2.8Å; E380-C384 PolarHBondContact O-SG 3.12Å; K382-C384 VanDerWaalsContact C-N 3.25Å; K382-C384 PolarHBondContact O-N 2.81Å
385K42.3Very low39.3Very low172 Ų172129.8 Ų129.875%0.74867%0.674SS**Hα-helixtrans-78.3-35.2176.9-77.8-176.3177.7179.30112.5A381 K382 K387 R388A381-K385 PolarHBondContact O-N 2.87Å; K382-K385 PolarHBondContact O-N 3.35Å; K385-K387 VanDerWaalsContact C-N 3.31Å; K385-K387 PolarHBondContact O-N 3.21Å; K385-R388 PolarHBondContact O-N 3.22Å
386E42Very low38.6Very low147 Ų147133.9 Ų133.969%0.68770%0.697SS**Hα-helixtrans-68.7-27.6177.6-72.5-174172.800113.3K382 R388K382-E386 PolarHBondContact O-N 3.39Å; E386-R388 PolarHBondContact O-N 2.9Å
387K40.6Very low37.9Very low183 Ų183138.7 Ų138.780%0.79671%0.714SS**THydrogen-bonded Turntrans-72.4-3.3174.9-73.5178.3-179.4173.30114.9K385K385-K387 VanDerWaalsContact C-N 3.31Å; K385-K387 PolarHBondContact O-N 3.21Å
388R36.3Very low37Very low225 Ų225140.9 Ų140.985%0.84973%0.726SS**THydrogen-bonded Turntrans-1126-175.7-78.6-171.8174.2-175.50.7116.3K385 E386K385-R388 PolarHBondContact O-N 3.22Å; E386-R388 PolarHBondContact O-N 2.9Å
389K30.6Very low36.1Very low180 Ų180151.2 Ų151.278%0.78376%0.758SS**PPolyproline II helixtrans-94.2128.6170.9-83.1-174.4175.2-179.20111.8
390P31.2Very low35.2Very low123 Ų123148.7 Ų148.780%0.79976%0.761SS**PPolyproline II helixtrans-75140169.330.8-29.9000110.1G392P390-G392 PolarHBondContact O-N 2.85Å
391K34.6Very low34.3Very low219 Ų219146.3 Ų146.395%0.95277%0.766SS**PPolyproline II helixtrans-61.9123.9178.1-76.2177.7172.7178.80111.2
392G30.1Very low33.5Very low71 Ų71151.1 Ų151.173%0.73278%0.782SS**  trans172.7102.6166.100000115P390P390-G392 PolarHBondContact O-N 2.85Å
393Q30.3Very low32.6Very low203 Ų203151.9 Ų151.995%0.94979%0.793SS**  trans60.7100.5160.5-81.3174-34.200119.7
394E28.3Very low32.1Very low188 Ų188155.7 Ų155.788%0.87981%0.806SS**  trans-100.1120.6155.8-78.6-176.7168.100110.1
395N31.5Very low31.4Very low170 Ų170157.3 Ų157.391%0.90982%0.818SS**  trans-115.4115.4149-104.4-5.4000105
396S27.9Very low30.8Very low120 Ų120157.9 Ų157.984%0.83982%0.823SS**  trans-142.3132.3159.4-169.10000110.2
397L27.9Very low30.1Very low156 Ų156154.5 Ų154.582%0.81783%0.828SS**  trans-74.1132.3-168.2-72.9132.3000111.7
398S25.5Very low29.7Very low103 Ų103155.7 Ų155.772%0.7284%0.836SS**  trans-77131.5162.61670000109.6
399W25.1Very low29.3Very low253 Ų253148.7 Ų148.796%0.95883%0.834SS**  trans-103.294.4164.2-80.4110.4000109
400A29.8Very low29.7Very low87 Ų87147.5 Ų147.572%0.71984%0.842SS**  trans-139.1112.9164.700000109.2
401A28.4Very low29.7Very low93 Ų93145.6 Ų145.677%0.76984%0.837SS**  trans172130.6165.500000107
402L31.1Very low29.6Very low158 Ų158140.3 Ų140.383%0.82783%0.827SS**  cis-156.715017.6-88.7139.8000106.1
403D25.9Very low29.8Very low161 Ų161148.5 Ų148.586%0.86184%0.836SS**  -157.6146.683.8-149.50.2000113.1
404K32.4Very low30Very low170 Ų170146.3 Ų146.374%0.73983%0.831SS**  trans-109.4135.7176.2-86.9-172.5173.5-169.30109.2
405S27.1Very low30.4Very low121 Ų121143 Ų14385%0.84682%0.819SS**  trans-147.4124.3140.664.40000110.2
406E30.2Very low30.7Very low184 Ų184142.6 Ų142.686%0.8681%0.81SS**  trans-72.9142.6-179.8-68.1175.1164.800112.3
407G26.7Very low31.2Very low76 Ų76144.7 Ų144.778%0.78481%0.806SS**  trans-162.4115.4164.300000109.1
408E33.6Very low32Very low208 Ų208143.2 Ų143.297%0.97280%0.799SS**  trans-60142.7-171.9-64.6172.5140.700114.4
409G26.8Very low32.9Very low78 Ų78144.6 Ų144.680%0.80479%0.794SS**  trans-179.7105.7168.600000112.8
410V39.3Very low34.3Very low155 Ų155136.1 Ų136.194%0.93977%0.77SS**  trans-68.1125.4179.9173.10000111.8
411A31.1Very low35.6Very low84 Ų84138.5 Ų138.569%0.69477%0.767SS**  trans-169130.214900000113.9
412S31.8Very low37.3Very low107 Ų107138.9 Ų138.975%0.74876%0.756SS**  trans47.8108.4153.7520000120.3
413R34.3Very low39.3Very low243 Ų243136.8 Ų136.892%0.91775%0.745SS**SBendtrans-110.634.9179-156.5179.6173.7169.9-1.6113
414D36.3Very low41.8Very low157 Ų157134.7 Ų134.784%0.8473%0.734SS**SBendtrans-127.513.1-175.3-89.9-13.4000115
415N36Very low44.1Very low120 Ų120130.1 Ų130.164%0.64272%0.717SS**SBendtrans-117.6-0.4178.3-85.118.2000115.2
416F36.8Very low46.9Very low161 Ų161126.1 Ų126.171%0.70669%0.685SS**Hα-helixtrans-88.4-17.9-173.3-92.9-84.3000114.7T420F416-T420 PolarHBondContact O-OG1 2.75Å
417E40.3Very low49.5Very low163 Ų163119.4 Ų119.476%0.76265%0.654SS**Hα-helixtrans-83.5-35.1-179.5-68.6-178.1171.300112T420 E421E417-T420 PolarHBondContact O-OG1 2.98Å; E417-E421 PolarHBondContact O-N 3.37Å
418D43.4Very low52.4Low125 Ų125119.9 Ų119.967%0.66864%0.641SS**Hα-helixtrans-71.5-38.2-179.2-126.7-0.3000112.5T420 D422D418-T420 PolarHBondContact O-N 3.06Å; D418-D422 PolarHBondContact O-N 3.09Å
419E45.4Very low54.9Low132 Ų132112 Ų11262%0.61760%0.604SS**Hα-helixtrans-68-33.3177.2-73.8-176.4174.200112.3D423E419-D423 PolarHBondContact O-N 3.24Å
420T53Low57.8Low76 Ų76108.3 Ų108.347%0.46657%0.566SS.*Hα-helixtrans-74.1-33.1179.946.90000113.7F416 E417 D418 D424F416-T420 PolarHBondContact O-OG1 2.75Å; E417-T420 PolarHBondContact O-OG1 2.98Å; D418-T420 PolarHBondContact O-N 3.06Å; T420-D424 PolarHBondContact O-N 2.96Å
421E58.1Low60.2Low137 Ų137107 Ų10764%0.6454%0.544SS*.Hα-helixtrans-71.7-37.3177.8-72.1-171.3176.600112E417 L425E417-E421 PolarHBondContact O-N 3.37Å; E421-L425 WeakPolarHBondContact O-CB 2.84Å; E421-L425 PolarHBondContact O-N 3.17Å
422D64.8Low62.8Low100 Ų100104.6 Ų104.654%0.53552%0.519SS..Hα-helixtrans-68.4-37.3176.6-98.4-18.8000112.4D418 L425 F426D418-D422 PolarHBondContact O-N 3.09Å; D422-L425 PolarHBondContact O-N 2.93Å; D422-F426 WeakPolarHBondContact O-CB 3.46Å; D422-F426 PolarHBondContact O-N 3.39Å
423D71.7Confident65.5Low114 Ų114102.8 Ų102.861%0.6150%0.496SS*.Hα-helixtrans-66.7-41.8175.2-88.6-5000112.3E419 F426 E427E419-D423 PolarHBondContact O-N 3.24Å; D423-F426 PolarHBondContact O-N 3.03Å; D423-E427 PolarHBondContact O-N 3.44Å
424D79Confident68.2Low118 Ų11891.9 Ų91.963%0.63146%0.455SS*.Hα-helixtrans-66.6-36.8176.7-86.6-16.7000112T420 T428T420-D424 PolarHBondContact O-N 2.96Å; D424-T428 WeakPolarHBondContact O-CB 3.38Å; D424-T428 PolarHBondContact O-N 3.09Å; D424-T428 VanDerWaalsContact O-N 3.12Å; D424-T428 PolarHBondContact O-OG1 3.39Å
425L80.8Confident70.7Confident73 Ų7388.6 Ų88.638%0.38243%0.431SS..Hα-helixtrans-64-47.3172.5-179.864.8000111E421 D422 E427 T428 E429E421-L425 WeakPolarHBondContact O-CB 2.84Å; E421-L425 PolarHBondContact O-N 3.17Å; D422-L425 PolarHBondContact O-N 2.93Å; L425-E427 PolarHBondContact O-N 3.4Å; L425-T428 PolarHBondContact O-N 3.07Å; L425-E429 HydrophobicContact CD1-CG 4.35Å; L425-E429 WeakPolarHBondContact O-CG 3.46Å; L425-E429 PolarHBondContact O-N 2.91Å
426F85.1Confident73.3Confident38 Ų3886 Ų8617%0.16742%0.42CS..Hα-helixtrans-57.3-48.2178.4176.3-94.6000112.2F351 F355 D422 D423 T428 E429 F430F351-F426 HydrophobicContact CD1-CD2 4.18Å; F351-F426 HydrophobicContact CD1-CE1 4.3Å; F351-F426 AromaticContact CD1-CE2 3.47Å; F351-F426 HydrophobicContact CD1-CE2 3.47Å; F351-F426 VanDerWaalsContact CD1-CE2 3.47Å; F351-F426 AromaticContact CD1-CZ 3.56Å; F351-F426 HydrophobicContact CD1-CZ 3.56Å; F351-F426 HydrophobicContact CE1-CD2 4.08Å; F351-F426 AromaticContact CE1-CE2 3.82Å; F351-F426 HydrophobicContact CE1-CE2 3.82Å; F351-F426 HydrophobicContact CE1-CZ 4.25Å; F355-F426 AromaticContact CD1-CD2 3.99Å; F355-F426 HydrophobicContact CD1-CD2 3.99Å; F355-F426 HydrophobicContact CD1-CE2 4.39Å; F355-F426 HydrophobicContact CE1-CD2 4.15Å; F355-F426 HydrophobicContact CG-CD2 4.41Å; D422-F426 WeakPolarHBondContact O-CB 3.46Å; D422-F426 PolarHBondContact O-N 3.39Å; D423-F426 PolarHBondContact O-N 3.03Å; F426-T428 VanDerWaalsContact C-N 3.3Å; F426-T428 PolarHBondContact O-N 2.9Å; F426-E429 PolarHBondContact O-N 3.35Å; F426-F430 WeakPolarHBondContact O-CB 3.16Å; F426-F430 PolarHBondContact O-N 3.11Å
427E86.2Confident75.9Confident43 Ų4379.4 Ų79.420%0.20139%0.39CS..Hα-helixtrans-67.3-32-179.6177.963.2-156.600111.9R348 D423 L425 R431R348-E427 IonicContact NE-OE2 4Å; R348-E427 IonicContact NH2-OE2 3.42Å; R348-E427 PolarHBondContact NH2-OE2 3.31Å; D423-E427 PolarHBondContact O-N 3.44Å; L425-E427 PolarHBondContact O-N 3.4Å; E427-R431 VanDerWaalsContact O-CG 3.25Å; E427-R431 WeakPolarHBondContact O-CG 3.36Å; E427-R431 PolarHBondContact O-N 3.5Å; E427-R431 VanDerWaalsContact O-N 3.08Å; E427-R431 IonicContact OE1-CZ 3.97Å; E427-R431 IonicContact OE1-NE 3.88Å; E427-R431 PolarHBondContact OE1-NE 2.84Å; E427-R431 IonicContact OE1-NH2 2.71Å; E427-R431 PolarHBondContact OE1-NH2 3.38Å
428T85.9Confident78.3Confident85 Ų8571.7 Ų71.752%0.52135%0.354SS..Hα-helixtrans-66.6-46.1174-60.30000111.5D424 L425 F426 R431 Q432D424-T428 WeakPolarHBondContact O-CB 3.38Å; D424-T428 PolarHBondContact O-N 3.09Å; D424-T428 VanDerWaalsContact O-N 3.12Å; D424-T428 PolarHBondContact O-OG1 3.39Å; L425-T428 PolarHBondContact O-N 3.07Å; F426-T428 VanDerWaalsContact C-N 3.3Å; F426-T428 PolarHBondContact O-N 2.9Å; T428-R431 PolarHBondContact O-N 2.94Å; T428-Q432 PolarHBondContact O-N 3.24Å
429E86Confident80.5Confident42 Ų4269.2 Ų69.220%0.19634%0.34CS..Hα-helixtrans-65.4-41.1177-71-66.1166.900111.7F351 F355 L370 L425 F426 R431 Q432 Y433F351-E429 HydrophobicContact CE1-CB 4.21Å; F351-E429 HydrophobicContact CZ-CB 3.95Å; F355-E429 HydrophobicContact CE2-CB 3.99Å; F355-E429 HydrophobicContact CE2-CG 3.95Å; L370-E429 WeakPolarHBondContact CD2-OE1 3.4Å; L370-E429 WeakPolarHBondContact CD2-OE2 3.46Å; L425-E429 HydrophobicContact CD1-CG 4.35Å; L425-E429 WeakPolarHBondContact O-CG 3.46Å; L425-E429 PolarHBondContact O-N 2.91Å; F426-E429 PolarHBondContact O-N 3.35Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.35Å; E429-Q432 PolarHBondContact O-N 3.48Å; E429-Q432 VanDerWaalsContact O-N 3.09Å; E429-Y433 WeakPolarHBondContact O-CB 3.34Å; E429-Y433 PolarHBondContact O-N 3.46Å
430F89.8Confident82.6Confident1 Ų167.7 Ų67.70%0.00434%0.339CS..Hα-helixtrans-60.1-42.6175.7179.7-128.1000111.9D347 R348 F351 F426 Q432 Y433 K434D347-F430 HydrophobicContact CB-CE2 4.17Å; D347-F430 HydrophobicContact CB-CZ 3.68Å; R348-F430 HydrophobicContact CG-CD1 4.48Å; R348-F430 HydrophobicContact CG-CE1 4.09Å; R348-F430 HydrophobicContact CG-CZ 4.38Å; F351-F430 HydrophobicContact CB-CD2 3.58Å; F351-F430 HydrophobicContact CB-CE2 3.85Å; F351-F430 HydrophobicContact CD1-CB 3.59Å; F351-F430 AromaticContact CD1-CD2 3.59Å; F351-F430 HydrophobicContact CD1-CD2 3.59Å; F351-F430 AromaticContact CD1-CG 3.95Å; F351-F430 HydrophobicContact CD1-CG 3.95Å; F351-F430 HydrophobicContact CD2-CD2 4.1Å; F351-F430 VanDerWaalsContact CE1-CA 3.45Å; F351-F430 HydrophobicContact CE1-CB 3.61Å; F351-F430 HydrophobicContact CE1-CD2 4.31Å; F351-F430 HydrophobicContact CE1-CG 4.43Å; F351-F430 HydrophobicContact CG-CB 4.33Å; F351-F430 AromaticContact CG-CD2 3.47Å; F351-F430 HydrophobicContact CG-CD2 3.47Å; F351-F430 VanDerWaalsContact CG-CD2 3.47Å; F351-F430 HydrophobicContact CG-CE2 4.23Å; F351-F430 HydrophobicContact CG-CG 4.3Å; F351-F430 HydrophobicContact CZ-CB 4.35Å; F426-F430 WeakPolarHBondContact O-CB 3.16Å; F426-F430 PolarHBondContact O-N 3.11Å; F430-Q432 VanDerWaalsContact C-N 3.32Å; F430-Q432 PolarHBondContact O-N 3.2Å; F430-Y433 WeakPolarHBondContact O-CB 3.2Å; F430-Y433 PolarHBondContact O-N 3.37Å; F430-K434 HydrophobicContact CD2-CG 4.46Å; F430-K434 HydrophobicContact CE1-CD 4.15Å; F430-K434 HydrophobicContact CE2-CD 4.06Å; F430-K434 HydrophobicContact CE2-CG 4.09Å; F430-K434 HydrophobicContact CZ-CD 3.73Å; F430-K434 HydrophobicContact CZ-CG 4.28Å; F430-K434 WeakPolarHBondContact O-CG 3.45Å; F430-K434 PolarHBondContact O-N 3.49Å
431R88.4Confident84.3Confident129 Ų12967.2 Ų67.249%0.48733%0.331SS..Hα-helixtrans-63.1-39.4174.2-73.6170.8-173.1179.55.3111.9E427 T428 E429 R435E427-R431 VanDerWaalsContact O-CG 3.25Å; E427-R431 WeakPolarHBondContact O-CG 3.36Å; E427-R431 PolarHBondContact O-N 3.5Å; E427-R431 VanDerWaalsContact O-N 3.08Å; E427-R431 IonicContact OE1-CZ 3.97Å; E427-R431 IonicContact OE1-NE 3.88Å; E427-R431 PolarHBondContact OE1-NE 2.84Å; E427-R431 IonicContact OE1-NH2 2.71Å; E427-R431 PolarHBondContact OE1-NH2 3.38Å; T428-R431 PolarHBondContact O-N 2.94Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.35Å; R431-R435 WeakPolarHBondContact O-CG 3.36Å; R431-R435 PolarHBondContact O-N 3.46Å
432Q85.9Confident85.7Confident33 Ų3362.3 Ų62.315%0.15431%0.308CS..Hα-helixtrans-69.9-38.5179.2-171.257.921.900112T428 E429 F430 R435 T436T428-Q432 PolarHBondContact O-N 3.24Å; E429-Q432 PolarHBondContact O-N 3.48Å; E429-Q432 VanDerWaalsContact O-N 3.09Å; F430-Q432 VanDerWaalsContact C-N 3.32Å; F430-Q432 PolarHBondContact O-N 3.2Å; Q432-R435 PolarHBondContact O-N 2.84Å; Q432-T436 WeakPolarHBondContact O-CB 3.49Å; Q432-T436 PolarHBondContact O-N 3.23Å; Q432-T436 PolarHBondContact O-OG1 2.89Å
433Y88.7Confident86.6Confident68 Ų6860.4 Ų60.427%0.26731%0.312SS..Hα-helixtrans-57-51.4171.9177.5-100.3000111.5F351 V354 E429 F430 R435 T436 Y437 F488F351-Y433 AromaticContact CD2-CD1 3.77Å; F351-Y433 HydrophobicContact CD2-CD1 3.77Å; F351-Y433 HydrophobicContact CD2-CD2 4.14Å; F351-Y433 HydrophobicContact CD2-CE1 4.26Å; F351-Y433 AromaticContact CD2-CG 3.71Å; F351-Y433 HydrophobicContact CD2-CG 3.71Å; F351-Y433 HydrophobicContact CE2-CD1 4.14Å; F351-Y433 AromaticContact CE2-CD2 3.89Å; F351-Y433 HydrophobicContact CE2-CD2 3.89Å; F351-Y433 AromaticContact CE2-CG 3.59Å; F351-Y433 HydrophobicContact CE2-CG 3.59Å; V354-Y433 HydrophobicContact CG1-CE2 4.49Å; E429-Y433 WeakPolarHBondContact O-CB 3.34Å; E429-Y433 PolarHBondContact O-N 3.46Å; F430-Y433 WeakPolarHBondContact O-CB 3.2Å; F430-Y433 PolarHBondContact O-N 3.37Å; Y433-R435 PolarHBondContact O-N 3.5Å; Y433-T436 WeakPolarHBondContact O-CB 3.06Å; Y433-T436 PolarHBondContact O-N 2.88Å; Y433-Y437 PolarHBondContact O-N 3.28Å; Y433-F488 HydrophobicContact CD1-CZ 4.37Å; Y433-F488 HydrophobicContact CE1-CE1 4.33Å; Y433-F488 AromaticContact CE1-CZ 3.86Å; Y433-F488 HydrophobicContact CE1-CZ 3.86Å
434K91.6Very high87.2Confident14 Ų1456.5 Ų56.56%0.06129%0.292CS..Hα-helixtrans-62-41.9176.1-68.1-164.9-65.9172.90112.7F430 T436 Y437 Y438 F488 S490 D491F430-K434 HydrophobicContact CD2-CG 4.46Å; F430-K434 HydrophobicContact CE1-CD 4.15Å; F430-K434 HydrophobicContact CE2-CD 4.06Å; F430-K434 HydrophobicContact CE2-CG 4.09Å; F430-K434 HydrophobicContact CZ-CD 3.73Å; F430-K434 HydrophobicContact CZ-CG 4.28Å; F430-K434 WeakPolarHBondContact O-CG 3.45Å; F430-K434 PolarHBondContact O-N 3.49Å; K434-T436 VanDerWaalsContact C-N 3.29Å; K434-T436 PolarHBondContact O-N 3.38Å; K434-Y437 VanDerWaalsContact O-CB 3.31Å; K434-Y437 WeakPolarHBondContact O-CB 3.38Å; K434-Y437 PolarHBondContact O-N 3.03Å; K434-Y438 HydrophobicContact CB-CE2 4.23Å; K434-Y438 WeakPolarHBondContact O-CD2 3.38Å; K434-Y438 PolarHBondContact O-N 3.35Å; K434-F488 HydrophobicContact CB-CD2 4.2Å; K434-F488 HydrophobicContact CB-CE2 4.26Å; K434-F488 HydrophobicContact CD-CB 3.89Å; K434-F488 HydrophobicContact CD-CD1 4.21Å; K434-F488 HydrophobicContact CD-CD2 3.87Å; K434-F488 HydrophobicContact CD-CE2 4.45Å; K434-F488 HydrophobicContact CD-CG 3.73Å; K434-F488 HydrophobicContact CG-CD1 4.37Å; K434-F488 HydrophobicContact CG-CD2 3.76Å; K434-F488 HydrophobicContact CG-CE1 4.46Å; K434-F488 HydrophobicContact CG-CE2 3.85Å; K434-F488 HydrophobicContact CG-CG 4.02Å; K434-F488 HydrophobicContact CG-CZ 4.22Å; K434-S490 PolarHBondContact NZ-OG 2.78Å; K434-D491 VanDerWaalsContact NZ-CG 3.34Å; K434-D491 IonicContact NZ-OD1 3.84Å; K434-D491 PolarHBondContact NZ-OD1 2.88Å; K434-D491 IonicContact NZ-OD2 3.79Å; K434-D491 PolarHBondContact NZ-OD2 3.47Å
435R88.8Confident87.3Confident89 Ų8958.1 Ų58.134%0.33630%0.301SS..Hα-helixtrans-58.4-43.5175.2-79.9178.3-177.8153.61.1112R431 Q432 Y433 Y437 Y438 M439 V447R431-R435 WeakPolarHBondContact O-CG 3.36Å; R431-R435 PolarHBondContact O-N 3.46Å; Q432-R435 PolarHBondContact O-N 2.84Å; Y433-R435 PolarHBondContact O-N 3.5Å; R435-Y437 VanDerWaalsContact C-N 3.29Å; R435-Y437 PolarHBondContact O-N 3.17Å; R435-Y438 PolarHBondContact O-N 3.35Å; R435-M439 WeakPolarHBondContact O-CG 3.46Å; R435-M439 PolarHBondContact O-N 3.14Å; R435-V447 HydrophobicContact CG-CB 4.3Å; R435-V447 HydrophobicContact CG-CG2 4.43Å
436T88.9Confident87.5Confident66 Ų6659.8 Ų59.841%0.40531%0.314SS..Hα-helixtrans-61.8-40.9178.3-56.90000110.5Q432 Y433 K434 M439 T440Q432-T436 WeakPolarHBondContact O-CB 3.49Å; Q432-T436 PolarHBondContact O-N 3.23Å; Q432-T436 PolarHBondContact O-OG1 2.89Å; Y433-T436 WeakPolarHBondContact O-CB 3.06Å; Y433-T436 PolarHBondContact O-N 2.88Å; K434-T436 VanDerWaalsContact C-N 3.29Å; K434-T436 PolarHBondContact O-N 3.38Å; T436-M439 PolarHBondContact O-N 3.5Å; T436-T440 HydrophobicContact CG2-CG2 4.08Å; T436-T440 VanDerWaalsContact O-CB 3.31Å; T436-T440 WeakPolarHBondContact O-CB 3.25Å; T436-T440 VanDerWaalsContact O-CG2 3.25Å; T436-T440 WeakPolarHBondContact O-CG2 3.47Å; T436-T440 PolarHBondContact O-N 3.06Å; T436-T440 PolarHBondContact O-OG1 2.89Å
437Y91.6Very high87.7Confident22 Ų2259 Ų599%0.08631%0.312CS..Hα-helixtrans-56.5-53172170.7-93.7000112.2P298 Y433 K434 R435 M439 T440 K441 M442 A486 F488P298-Y437 HydrophobicContact CG-CE2 4.48Å; Y433-Y437 PolarHBondContact O-N 3.28Å; K434-Y437 VanDerWaalsContact O-CB 3.31Å; K434-Y437 WeakPolarHBondContact O-CB 3.38Å; K434-Y437 PolarHBondContact O-N 3.03Å; R435-Y437 VanDerWaalsContact C-N 3.29Å; R435-Y437 PolarHBondContact O-N 3.17Å; Y437-M439 PolarHBondContact O-N 2.75Å; Y437-T440 PolarHBondContact O-N 3.43Å; Y437-T440 PolarHBondContact O-OG1 3.31Å; Y437-K441 HydrophobicContact CD2-CB 4.45Å; Y437-K441 HydrophobicContact CD2-CG 3.72Å; Y437-K441 HydrophobicContact CE2-CB 4.32Å; Y437-K441 HydrophobicContact CE2-CG 3.77Å; Y437-K441 HydrophobicContact CG-CG 4.38Å; Y437-K441 VanDerWaalsContact O-CB 3.23Å; Y437-K441 WeakPolarHBondContact O-CB 3.49Å; Y437-K441 WeakPolarHBondContact O-CG 3.44Å; Y437-K441 PolarHBondContact O-N 3.05Å; Y437-M442 HydrophobicContact CE1-CE 3.66Å; Y437-A486 PolarHBondContact OH-O 3.41Å; Y437-F488 AromaticContact CD1-CD2 3.94Å; Y437-F488 HydrophobicContact CD1-CD2 3.94Å; Y437-F488 AromaticContact CD1-CE2 3.51Å; Y437-F488 HydrophobicContact CD1-CE2 3.51Å; Y437-F488 HydrophobicContact CD2-CE2 4.12Å; Y437-F488 HydrophobicContact CE1-CD2 4.28Å; Y437-F488 HydrophobicContact CE1-CE2 4.08Å; Y437-F488 HydrophobicContact CG-CD2 4.41Å; Y437-F488 AromaticContact CG-CE2 3.54Å; Y437-F488 HydrophobicContact CG-CE2 3.54Å; Y437-F488 HydrophobicContact CG-CZ 4.3Å
438Y92Very high87.8Confident1 Ų159.3 Ų59.30%0.00432%0.319CS..Hα-helixtrans-63.6-41.2-178.9-65.7-64.7000112.7K434 R435 M442 G443 V447 F451 L452 F488 D491K434-Y438 HydrophobicContact CB-CE2 4.23Å; K434-Y438 WeakPolarHBondContact O-CD2 3.38Å; K434-Y438 PolarHBondContact O-N 3.35Å; R435-Y438 PolarHBondContact O-N 3.35Å; Y438-M442 HydrophobicContact CD1-CE 3.89Å; Y438-M442 HydrophobicContact CD1-CG 4.47Å; Y438-M442 HydrophobicContact CD1-SD 4.16Å; Y438-M442 HydrophobicContact CE1-CE 4Å; Y438-M442 WeakPolarHBondContact O-CA 3.06Å; Y438-M442 VanDerWaalsContact O-CB 3.27Å; Y438-M442 WeakPolarHBondContact O-CB 3.42Å; Y438-M442 PolarHBondContact O-N 2.98Å; Y438-G443 PolarHBondContact O-N 3.44Å; Y438-V447 HydrophobicContact CD2-CG1 3.95Å; Y438-V447 HydrophobicContact CG-CG1 4.37Å; Y438-F451 HydrophobicContact CD1-CE1 4Å; Y438-F451 HydrophobicContact CG-CE1 4.34Å; Y438-L452 HydrophobicContact CD2-CD2 3.98Å; Y438-L452 HydrophobicContact CE1-CD2 4.11Å; Y438-L452 HydrophobicContact CE2-CD2 3.51Å; Y438-L452 HydrophobicContact CG-CD2 4.47Å; Y438-F488 HydrophobicContact CE2-CD2 4.35Å; Y438-F488 PolarHBondContact OH-N 3.02Å; Y438-F488 VanDerWaalsContact OH-N 3.11Å; Y438-D491 WeakPolarHBondContact CE2-OD2 3.33Å; Y438-D491 PolarHBondContact OH-OD2 3.12Å
439M89.5Confident87.9Confident73 Ų7360.9 Ų60.936%0.3632%0.324SS..Hα-helixtrans-64.8-45.7177.8-70.2177.1169.900111.9R435 T436 Y437 G443 V444 V447R435-M439 WeakPolarHBondContact O-CG 3.46Å; R435-M439 PolarHBondContact O-N 3.14Å; T436-M439 PolarHBondContact O-N 3.5Å; Y437-M439 PolarHBondContact O-N 2.75Å; M439-G443 VanDerWaalsContact O-CA 3.31Å; M439-G443 WeakPolarHBondContact O-CA 3.31Å; M439-G443 PolarHBondContact O-N 3.47Å; M439-V444 WeakPolarHBondContact CA-O 3.46Å; M439-V444 WeakPolarHBondContact CG-O 3.33Å; M439-V447 HydrophobicContact CE-CG2 4.33Å; M439-V447 HydrophobicContact CG-CG2 4.03Å
440T88.2Confident88.1Confident99 Ų9965.6 Ų65.661%0.60735%0.346SS*.Hα-helixtrans-80.7-41.4-173.9580000113.3T436 Y437T436-T440 HydrophobicContact CG2-CG2 4.08Å; T436-T440 VanDerWaalsContact O-CB 3.31Å; T436-T440 WeakPolarHBondContact O-CB 3.25Å; T436-T440 VanDerWaalsContact O-CG2 3.25Å; T436-T440 WeakPolarHBondContact O-CG2 3.47Å; T436-T440 PolarHBondContact O-N 3.06Å; T436-T440 PolarHBondContact O-OG1 2.89Å; Y437-T440 PolarHBondContact O-N 3.43Å; Y437-T440 PolarHBondContact O-OG1 3.31Å
441K89.4Confident88.1Confident66 Ų6667 Ų6729%0.28735%0.353SS..Hα-helixtrans-84.4-42.3-177.3-61.8-63.7-169.5176.20111.9Y437 Y485 D552Y437-K441 HydrophobicContact CD2-CB 4.45Å; Y437-K441 HydrophobicContact CD2-CG 3.72Å; Y437-K441 HydrophobicContact CE2-CB 4.32Å; Y437-K441 HydrophobicContact CE2-CG 3.77Å; Y437-K441 HydrophobicContact CG-CG 4.38Å; Y437-K441 VanDerWaalsContact O-CB 3.23Å; Y437-K441 WeakPolarHBondContact O-CB 3.49Å; Y437-K441 WeakPolarHBondContact O-CG 3.44Å; Y437-K441 PolarHBondContact O-N 3.05Å; K441-Y485 HydrophobicContact CB-CD1 4.44Å; K441-Y485 HydrophobicContact CB-CD2 3.96Å; K441-Y485 HydrophobicContact CB-CE1 4.43Å; K441-Y485 HydrophobicContact CB-CE2 3.98Å; K441-Y485 HydrophobicContact CB-CG 4.21Å; K441-Y485 HydrophobicContact CD-CE1 4.17Å; K441-Y485 WeakPolarHBondContact O-CD2 3.49Å; K441-Y485 WeakPolarHBondContact O-CE2 3.15Å; K441-D552 VanDerWaalsContact NZ-CG 3.34Å; K441-D552 IonicContact NZ-OD1 2.69Å; K441-D552 PolarHBondContact NZ-OD1 3.23Å; K441-D552 IonicContact NZ-OD2 3.69Å; K441-D552 PolarHBondContact NZ-OD2 3.15Å
442M87.2Confident88.3Confident35 Ų3561.8 Ų61.817%0.17233%0.334CS..Hα-helixtrans-98-4.5-175.1-48.4-150.5-170.400113.6Y437 Y438 V444 F451 Q455 Y485 A486Y437-M442 HydrophobicContact CE1-CE 3.66Å; Y438-M442 HydrophobicContact CD1-CE 3.89Å; Y438-M442 HydrophobicContact CD1-CG 4.47Å; Y438-M442 HydrophobicContact CD1-SD 4.16Å; Y438-M442 HydrophobicContact CE1-CE 4Å; Y438-M442 WeakPolarHBondContact O-CA 3.06Å; Y438-M442 VanDerWaalsContact O-CB 3.27Å; Y438-M442 WeakPolarHBondContact O-CB 3.42Å; Y438-M442 PolarHBondContact O-N 2.98Å; M442-V444 VanDerWaalsContact C-N 3.25Å; M442-V444 HydrophobicContact CB-CG2 3.98Å; M442-V444 PolarHBondContact O-N 3.02Å; M442-F451 HydrophobicContact SD-CZ 4.24Å; M442-Q455 PolarHBondContact SD-NE2 3.04Å; M442-Y485 VanDerWaalsContact CE-CB 3.48Å; M442-Y485 HydrophobicContact CG-CD2 4.35Å; M442-A486 WeakPolarHBondContact CE-O 3.37Å
443G83.9Confident88.5Confident60 Ų6062.8 Ų62.862%0.61935%0.348SS*.  trans6528.9176.600000113.4Y438 M439Y438-G443 PolarHBondContact O-N 3.44Å; M439-G443 VanDerWaalsContact O-CA 3.31Å; M439-G443 WeakPolarHBondContact O-CA 3.31Å; M439-G443 PolarHBondContact O-N 3.47Å
444V85.5Confident88.7Confident32 Ų3263.5 Ų63.519%0.19436%0.356CS..  trans-92.3124.1-178.2-1790000109.8M439 M442 V446 F451M439-V444 WeakPolarHBondContact CA-O 3.46Å; M439-V444 WeakPolarHBondContact CG-O 3.33Å; M442-V444 VanDerWaalsContact C-N 3.25Å; M442-V444 HydrophobicContact CB-CG2 3.98Å; M442-V444 PolarHBondContact O-N 3.02Å; V444-V446 VanDerWaalsContact CG1-O 3.3Å; V444-V446 WeakPolarHBondContact CG1-O 3.44Å; V444-F451 HydrophobicContact CG2-CD2 4.36Å; V444-F451 HydrophobicContact CG2-CE1 4.31Å; V444-F451 HydrophobicContact CG2-CE2 3.68Å; V444-F451 HydrophobicContact CG2-CZ 3.66Å
445D80.8Confident88.7Confident152 Ų15262.8 Ų62.881%0.81335%0.353SS*.SBendtrans-68.3-35.9-179-63.2-39.3000112.9
446V84.3Confident89Confident107 Ų10758.6 Ų58.665%0.64834%0.338SS*.  trans-135.2115.2-178.5-177.40000110.7V444 S448V444-V446 VanDerWaalsContact CG1-O 3.3Å; V444-V446 WeakPolarHBondContact CG1-O 3.44Å; V446-S448 PolarHBondContact O-N 3.36Å; V446-S448 VanDerWaalsContact O-N 3.16Å
447V88.8Confident89.3Confident23 Ų2356.7 Ų56.714%0.13933%0.328CS..  trans-8193.7175.5-172.70000109.2R435 Y438 M439 F451 L452R435-V447 HydrophobicContact CG-CB 4.3Å; R435-V447 HydrophobicContact CG-CG2 4.43Å; Y438-V447 HydrophobicContact CD2-CG1 3.95Å; Y438-V447 HydrophobicContact CG-CG1 4.37Å; M439-V447 HydrophobicContact CE-CG2 4.33Å; M439-V447 HydrophobicContact CG-CG2 4.03Å; V447-F451 HydrophobicContact CG1-CD1 4.4Å; V447-L452 HydrophobicContact CG1-CD1 4.17Å; V447-L452 HydrophobicContact CG1-CD2 3.92Å; V447-L452 HydrophobicContact CG1-CG 4.04Å
448S89.4Confident89.5Confident49 Ų4957 Ų5734%0.34333%0.334SS..  trans-92.1157.117771.60000112.1V446 E450 F451 L452V446-S448 PolarHBondContact O-N 3.36Å; V446-S448 VanDerWaalsContact O-N 3.16Å; S448-E450 PolarHBondContact O-N 3.46Å; S448-F451 WeakPolarHBondContact O-CB 3.39Å; S448-F451 PolarHBondContact O-N 3.26Å; S448-F451 VanDerWaalsContact O-N 3.15Å; S448-F451 WeakPolarHBondContact OG-CB 3.42Å; S448-F451 PolarHBondContact OG-N 2.83Å; S448-F451 VanDerWaalsContact OG-N 3.08Å; S448-L452 PolarHBondContact O-N 3.25Å; S448-L452 VanDerWaalsContact O-N 3.11Å
449D87.4Confident89.7Confident117 Ų11757.2 Ų57.263%0.62633%0.334SS*.Hα-helixtrans-60.4-31.1173.8-66.1-46.1000112.1A453 R493D449-A453 VanDerWaalsContact O-CB 3.29Å; D449-A453 WeakPolarHBondContact O-CB 3.45Å; D449-A453 PolarHBondContact O-N 3.33Å; D449-R493 IonicContact OD1-NH2 2.73Å
450E89.4Confident90Very high142 Ų14253.7 Ų53.766%0.66432%0.317SS*.Hα-helixtrans-67.1-42.8175.3-176.6179.8178.500111.7S448 A453 N454S448-E450 PolarHBondContact O-N 3.46Å; E450-A453 PolarHBondContact O-N 2.67Å; E450-N454 WeakPolarHBondContact O-CB 3.48Å; E450-N454 VanDerWaalsContact O-CG 3.23Å; E450-N454 PolarHBondContact O-N 3.16Å; E450-N454 PolarHBondContact O-ND2 3.41Å
451F90.9Very high90.5Very high30 Ų3051.2 Ų51.213%0.13230%0.299CS..Hα-helixtrans-59.9-48174.5169.3-97.3000111.2Y438 M442 V444 V447 S448 A453 N454 Q455 Y483Y438-F451 HydrophobicContact CD1-CE1 4Å; Y438-F451 HydrophobicContact CG-CE1 4.34Å; M442-F451 HydrophobicContact SD-CZ 4.24Å; V444-F451 HydrophobicContact CG2-CD2 4.36Å; V444-F451 HydrophobicContact CG2-CE1 4.31Å; V444-F451 HydrophobicContact CG2-CE2 3.68Å; V444-F451 HydrophobicContact CG2-CZ 3.66Å; V447-F451 HydrophobicContact CG1-CD1 4.4Å; S448-F451 WeakPolarHBondContact O-CB 3.39Å; S448-F451 PolarHBondContact O-N 3.26Å; S448-F451 VanDerWaalsContact O-N 3.15Å; S448-F451 WeakPolarHBondContact OG-CB 3.42Å; S448-F451 PolarHBondContact OG-N 2.83Å; S448-F451 VanDerWaalsContact OG-N 3.08Å; F451-A453 PolarHBondContact O-N 3.35Å; F451-N454 PolarHBondContact O-N 3.25Å; F451-Q455 WeakPolarHBondContact O-CB 3.37Å; F451-Q455 PolarHBondContact O-N 2.72Å; F451-Y483 HydrophobicContact CE2-CE1 4.3Å
452L91.7Very high90.8Very high20 Ų2048.1 Ų48.111%0.10529%0.285CS..Hα-helixtrans-62.8-42.4178.6-65175.8000111.9Y438 V447 S448 Q455 A456 D491Y438-L452 HydrophobicContact CD2-CD2 3.98Å; Y438-L452 HydrophobicContact CE1-CD2 4.11Å; Y438-L452 HydrophobicContact CE2-CD2 3.51Å; Y438-L452 HydrophobicContact CG-CD2 4.47Å; V447-L452 HydrophobicContact CG1-CD1 4.17Å; V447-L452 HydrophobicContact CG1-CD2 3.92Å; V447-L452 HydrophobicContact CG1-CG 4.04Å; S448-L452 PolarHBondContact O-N 3.25Å; S448-L452 VanDerWaalsContact O-N 3.11Å; L452-Q455 PolarHBondContact O-N 3.32Å; L452-A456 WeakPolarHBondContact O-CB 3.29Å; L452-A456 PolarHBondContact O-N 2.97Å; L452-D491 HydrophobicContact CD2-CB 4.49Å
453A91.7Very high91.3Very high53 Ų5346.4 Ų46.444%0.43828%0.277SS..Hα-helixtrans-63.7-43.2177.200000112.2D449 E450 F451 A456 A457D449-A453 VanDerWaalsContact O-CB 3.29Å; D449-A453 WeakPolarHBondContact O-CB 3.45Å; D449-A453 PolarHBondContact O-N 3.33Å; E450-A453 PolarHBondContact O-N 2.67Å; F451-A453 PolarHBondContact O-N 3.35Å; A453-A456 PolarHBondContact O-N 3.15Å; A453-A457 WeakPolarHBondContact O-CB 3.27Å; A453-A457 PolarHBondContact O-N 3.17Å
454N92.1Very high92Very high83 Ų8344.1 Ų44.144%0.44425%0.25SS..Hα-helixtrans-63.6-42.6176.1-73-22.1000111.3E450 F451 A457 C458E450-N454 WeakPolarHBondContact O-CB 3.48Å; E450-N454 VanDerWaalsContact O-CG 3.23Å; E450-N454 PolarHBondContact O-N 3.16Å; E450-N454 PolarHBondContact O-ND2 3.41Å; F451-N454 PolarHBondContact O-N 3.25Å; N454-A457 PolarHBondContact O-N 3.04Å; N454-C458 WeakPolarHBondContact O-CB 3.22Å; N454-C458 PolarHBondContact O-N 3.09Å; N454-C458 PolarHBondContact O-SG 3.37Å; N454-C458 VanDerWaalsContact O-SG 3.35Å
455Q92.4Very high92.5Very high0 Ų042.7 Ų42.70%024%0.241CC..Hα-helixtrans-64.8-45.6177.9-168.2-174.93.200112M442 F451 L452 A457 C458 Y459 Y483 P487M442-Q455 PolarHBondContact SD-NE2 3.04Å; F451-Q455 WeakPolarHBondContact O-CB 3.37Å; F451-Q455 PolarHBondContact O-N 2.72Å; L452-Q455 PolarHBondContact O-N 3.32Å; Q455-A457 VanDerWaalsContact C-N 3.34Å; Q455-A457 PolarHBondContact O-N 3.28Å; Q455-C458 PolarHBondContact O-N 3.06Å; Q455-Y459 WeakPolarHBondContact O-CB 3.47Å; Q455-Y459 PolarHBondContact O-N 2.92Å; Q455-Y483 HydrophobicContact CG-CD2 4.49Å; Q455-Y483 HydrophobicContact CG-CE2 4.39Å; Q455-P487 HydrophobicContact CG-CB 4.1Å; Q455-P487 HydrophobicContact CG-CG 4.28Å
456A94.4Very high93.3Very high1 Ų135.4 Ų35.41%0.00820%0.202CC..Hα-helixtrans-58.8-45.1174.600000111.4L452 A453 Y459 V460 I492L452-A456 WeakPolarHBondContact O-CB 3.29Å; L452-A456 PolarHBondContact O-N 2.97Å; A453-A456 PolarHBondContact O-N 3.15Å; A456-Y459 PolarHBondContact O-N 3.21Å; A456-V460 WeakPolarHBondContact O-CG2 3.37Å; A456-V460 PolarHBondContact O-N 2.87Å; A456-I492 HydrophobicContact CB-CB 4.45Å; A456-I492 HydrophobicContact CB-CG2 4.25Å
457A95.1Very high93.9Very high25 Ų2530.3 Ų30.321%0.20717%0.172CC..Hα-helixtrans-61.1-46.2176.600000112.1A453 N454 Q455 Y459 V460 Q461 L498A453-A457 WeakPolarHBondContact O-CB 3.27Å; A453-A457 PolarHBondContact O-N 3.17Å; N454-A457 PolarHBondContact O-N 3.04Å; Q455-A457 VanDerWaalsContact C-N 3.34Å; Q455-A457 PolarHBondContact O-N 3.28Å; A457-Y459 VanDerWaalsContact C-N 3.32Å; A457-Y459 PolarHBondContact O-N 2.82Å; A457-V460 PolarHBondContact O-N 3.33Å; A457-Q461 VanDerWaalsContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CB 3.49Å; A457-Q461 PolarHBondContact O-N 2.67Å; A457-L498 HydrophobicContact CB-CD1 3.88Å; A457-L498 HydrophobicContact CB-CD2 4.17Å
458C95.2Very high94.2Very high30 Ų3030.2 Ų30.220%0.20317%0.169CC..Hα-helixtrans-61.5-39175.7-73.90000112.4N454 Q455 A462 Y481 Y483N454-C458 WeakPolarHBondContact O-CB 3.22Å; N454-C458 PolarHBondContact O-N 3.09Å; N454-C458 PolarHBondContact O-SG 3.37Å; N454-C458 VanDerWaalsContact O-SG 3.35Å; Q455-C458 PolarHBondContact O-N 3.06Å; C458-A462 WeakPolarHBondContact O-CB 3.46Å; C458-A462 PolarHBondContact O-N 2.91Å; C458-Y481 HydrophobicContact CB-CD2 4.39Å; C458-Y481 HydrophobicContact CB-CE2 4.19Å; C458-Y483 HydrophobicContact CB-CE2 4.24Å
459Y96.4Very high94.5Very high4 Ų427.9 Ų27.92%0.01615%0.153CC..Hα-helixtrans-69-41178.3-170.4-89.3000112.3I294 L297 Q455 A456 A457 A462 I463 Y481 A486 P487 I492I294-Y459 HydrophobicContact CD1-CD2 4.31Å; I294-Y459 HydrophobicContact CD1-CE2 3.65Å; I294-Y459 HydrophobicContact CG1-CE2 4.48Å; L297-Y459 HydrophobicContact CD2-CE1 4.04Å; L297-Y459 HydrophobicContact CD2-CE2 4.24Å; L297-Y459 WeakPolarHBondContact CG-OH 3.34Å; Q455-Y459 WeakPolarHBondContact O-CB 3.47Å; Q455-Y459 PolarHBondContact O-N 2.92Å; A456-Y459 PolarHBondContact O-N 3.21Å; A457-Y459 VanDerWaalsContact C-N 3.32Å; A457-Y459 PolarHBondContact O-N 2.82Å; Y459-A462 VanDerWaalsContact O-CB 3.22Å; Y459-A462 WeakPolarHBondContact O-CB 3.37Å; Y459-A462 PolarHBondContact O-N 3.19Å; Y459-I463 HydrophobicContact CD1-CG1 4.3Å; Y459-I463 HydrophobicContact CE1-CD1 4.14Å; Y459-I463 HydrophobicContact CE1-CG1 3.94Å; Y459-I463 WeakPolarHBondContact O-CG1 3.46Å; Y459-I463 PolarHBondContact O-N 3.39Å; Y459-I463 VanDerWaalsContact O-N 3.08Å; Y459-Y481 HydrophobicContact CD2-CE2 4.22Å; Y459-A486 HydrophobicContact CD2-CB 4.15Å; Y459-A486 HydrophobicContact CE2-CB 3.71Å; Y459-P487 HydrophobicContact CD2-CG 4.19Å; Y459-P487 HydrophobicContact CG-CG 3.96Å; Y459-I492 HydrophobicContact CD1-CD1 3.77Å; Y459-I492 HydrophobicContact CE1-CD1 4.09Å; Y459-I492 HydrophobicContact CG-CD1 4.49Å
460V97Very high94.8Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-69.5-38.6175.7174.50000111.3L331 L333 F336 A456 A457 A462 I463 Q464 I492 I495 L498 I500L331-V460 HydrophobicContact CD1-CG1 4.5Å; L333-V460 HydrophobicContact CD2-CG1 3.69Å; F336-V460 HydrophobicContact CE1-CG1 4.47Å; F336-V460 HydrophobicContact CE1-CG2 4.42Å; A456-V460 WeakPolarHBondContact O-CG2 3.37Å; A456-V460 PolarHBondContact O-N 2.87Å; A457-V460 PolarHBondContact O-N 3.33Å; V460-A462 VanDerWaalsContact C-N 3.27Å; V460-A462 PolarHBondContact O-N 2.93Å; V460-I463 PolarHBondContact O-N 2.94Å; V460-Q464 PolarHBondContact O-N 3.12Å; V460-I492 HydrophobicContact CG2-CG2 3.78Å; V460-I495 HydrophobicContact CG1-CD1 4.28Å; V460-I495 HydrophobicContact CG2-CB 4.31Å; V460-I495 HydrophobicContact CG2-CD1 3.69Å; V460-I495 HydrophobicContact CG2-CG2 3.95Å; V460-L498 HydrophobicContact CB-CD2 4.23Å; V460-L498 HydrophobicContact CG1-CD2 4.18Å; V460-I500 HydrophobicContact CG1-CD1 4.22Å
461Q96.8Very high95.1Very high47 Ų4716.6 Ų16.622%0.2210%0.096CC..Hα-helixtrans-59.3-41.2171.6-178.1172.519.200111.1A457 Q464 W465 W479 I500 F502A457-Q461 VanDerWaalsContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CB 3.49Å; A457-Q461 PolarHBondContact O-N 2.67Å; Q461-Q464 PolarHBondContact O-N 2.9Å; Q461-W465 PolarHBondContact O-N 3.24Å; Q461-W479 HydrophobicContact CG-CZ2 4.4Å; Q461-I500 HydrophobicContact CG-CG2 4.03Å; Q461-F502 HydrophobicContact CG-CE1 3.53Å; Q461-F502 HydrophobicContact CG-CZ 3.57Å; Q461-F502 WeakPolarHBondContact O-CZ 3.45Å
462A96.9Very high95.1Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-56.2-51.2172.500000113.2I294 C458 Y459 V460 Q464 W465 I466 W479 Y481I294-A462 HydrophobicContact CD1-CB 4.18Å; I294-A462 HydrophobicContact CG2-CB 3.4Å; I294-A462 VanDerWaalsContact CG2-CB 3.4Å; C458-A462 WeakPolarHBondContact O-CB 3.46Å; C458-A462 PolarHBondContact O-N 2.91Å; Y459-A462 VanDerWaalsContact O-CB 3.22Å; Y459-A462 WeakPolarHBondContact O-CB 3.37Å; Y459-A462 PolarHBondContact O-N 3.19Å; V460-A462 VanDerWaalsContact C-N 3.27Å; V460-A462 PolarHBondContact O-N 2.93Å; A462-Q464 VanDerWaalsContact C-N 3.28Å; A462-Q464 PolarHBondContact O-N 3.07Å; A462-W465 WeakPolarHBondContact O-CB 3.3Å; A462-W465 PolarHBondContact O-N 2.95Å; A462-W465 VanDerWaalsContact O-N 3.12Å; A462-I466 VanDerWaalsContact O-CG1 3.28Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 2.77Å; A462-W479 HydrophobicContact CB-CH2 3.45Å; A462-W479 VanDerWaalsContact CB-CH2 3.45Å; A462-W479 HydrophobicContact CB-CZ2 3.86Å; A462-Y481 HydrophobicContact CB-CD2 4.22Å
463I97.5Very high95Very high0 Ų018.4 Ų18.40%011%0.106CC..Hα-helixtrans-59.2-42.5178.2-62.1-66.2000110.8L284 L288 I294 L331 F336 Y459 V460 W465 I466 L467L284-I463 HydrophobicContact CD1-CG2 3.49Å; L284-I463 VanDerWaalsContact CD1-CG2 3.49Å; L288-I463 HydrophobicContact CD2-CD1 4.04Å; L288-I463 HydrophobicContact CD2-CG1 4.49Å; I294-I463 HydrophobicContact CD1-CD1 3.54Å; I294-I463 HydrophobicContact CD1-CG1 4.28Å; L331-I463 HydrophobicContact CD1-CB 4.4Å; L331-I463 HydrophobicContact CD1-CG2 3.97Å; F336-I463 HydrophobicContact CZ-CG2 4.48Å; Y459-I463 HydrophobicContact CD1-CG1 4.3Å; Y459-I463 HydrophobicContact CE1-CD1 4.14Å; Y459-I463 HydrophobicContact CE1-CG1 3.94Å; Y459-I463 WeakPolarHBondContact O-CG1 3.46Å; Y459-I463 PolarHBondContact O-N 3.39Å; Y459-I463 VanDerWaalsContact O-N 3.08Å; V460-I463 PolarHBondContact O-N 2.94Å; I463-W465 VanDerWaalsContact C-N 3.35Å; I463-W465 PolarHBondContact O-N 3.24Å; I463-I466 PolarHBondContact O-N 3.3Å; I463-L467 HydrophobicContact CG2-CD1 4.22Å; I463-L467 WeakPolarHBondContact O-CG 3.34Å; I463-L467 PolarHBondContact O-N 3.43Å
464Q97.8Very high94.9Very high12 Ų1217.1 Ų17.16%0.0569%0.093CC..Hα-helixtrans-63.4-39176.4-175.557.38500112.4G329 L331 V460 Q461 A462 H468 I500 F502G329-Q464 PolarHBondContact O-NE2 3Å; L331-Q464 HydrophobicContact CD1-CB 4.17Å; V460-Q464 PolarHBondContact O-N 3.12Å; Q461-Q464 PolarHBondContact O-N 2.9Å; A462-Q464 VanDerWaalsContact C-N 3.28Å; A462-Q464 PolarHBondContact O-N 3.07Å; Q464-H468 PolarHBondContact NE2-CE1 2.93Å; Q464-H468 PolarHBondContact NE2-ND1 3.21Å; Q464-H468 PolarHBondContact NE2-NE2 3.39Å; Q464-H468 PolarHBondContact O-N 3.07Å; Q464-I500 HydrophobicContact CB-CD1 3.83Å; Q464-I500 HydrophobicContact CB-CG2 4.29Å; Q464-I500 HydrophobicContact CG-CD1 3.99Å; Q464-I500 HydrophobicContact CG-CG2 3.93Å; Q464-F502 HydrophobicContact CB-CE2 4.5Å; Q464-F502 HydrophobicContact CG-CE2 4.08Å
465W97.5Very high94.8Very high1 Ų116.4 Ų16.40%0.0049%0.087CC..Hα-helixtrans-63.2-45.1175.2-176.293.8000111.2P90 A92 F293 Q461 A462 I463 H468 Y469 S476 W479 F502P90-W465 HydrophobicContact CB-CH2 4.07Å; P90-W465 HydrophobicContact CB-CZ2 3.77Å; P90-W465 HydrophobicContact CG-CH2 4.36Å; P90-W465 HydrophobicContact CG-CZ2 4.26Å; A92-W465 HydrophobicContact CB-CD2 4.46Å; A92-W465 HydrophobicContact CB-CE3 4.16Å; A92-W465 HydrophobicContact CB-CH2 3.57Å; A92-W465 HydrophobicContact CB-CZ2 3.85Å; A92-W465 HydrophobicContact CB-CZ3 3.73Å; F293-W465 HydrophobicContact CB-CZ3 4.28Å; F293-W465 AromaticContact CD1-CH2 3.97Å; F293-W465 HydrophobicContact CD1-CH2 3.97Å; F293-W465 AromaticContact CD1-CZ3 3.52Å; F293-W465 HydrophobicContact CD1-CZ3 3.52Å; F293-W465 HydrophobicContact CD2-CZ3 4.37Å; F293-W465 HydrophobicContact CE1-CH2 4.14Å; F293-W465 AromaticContact CE1-CZ3 3.93Å; F293-W465 HydrophobicContact CE1-CZ3 3.93Å; F293-W465 AromaticContact CG-CZ3 3.78Å; F293-W465 HydrophobicContact CG-CZ3 3.78Å; Q461-W465 PolarHBondContact O-N 3.24Å; A462-W465 WeakPolarHBondContact O-CB 3.3Å; A462-W465 PolarHBondContact O-N 2.95Å; A462-W465 VanDerWaalsContact O-N 3.12Å; I463-W465 VanDerWaalsContact C-N 3.35Å; I463-W465 PolarHBondContact O-N 3.24Å; W465-H468 PolarHBondContact O-N 3.09Å; W465-Y469 AromaticContact CH2-CD1 3.85Å; W465-Y469 HydrophobicContact CH2-CD1 3.85Å; W465-Y469 HydrophobicContact CH2-CD2 4.43Å; W465-Y469 HydrophobicContact CH2-CE1 4.28Å; W465-Y469 AromaticContact CH2-CG 3.92Å; W465-Y469 HydrophobicContact CH2-CG 3.92Å; W465-Y469 AromaticContact CZ3-CD1 3.91Å; W465-Y469 HydrophobicContact CZ3-CD1 3.91Å; W465-Y469 HydrophobicContact CZ3-CG 4.12Å; W465-Y469 WeakPolarHBondContact O-CB 3.45Å; W465-Y469 PolarHBondContact O-N 2.96Å; W465-S476 PolarHBondContact NE1-O 3.43Å; W465-S476 VanDerWaalsContact NE1-O 3.11Å; W465-W479 HydrophobicContact CB-CD2 4.38Å; W465-W479 HydrophobicContact CB-CE3 3.9Å; W465-W479 HydrophobicContact CB-CH2 4.47Å; W465-W479 HydrophobicContact CB-CZ3 3.94Å; W465-W479 AromaticContact CD1-CD2 3.99Å; W465-W479 AromaticContact CD1-CE3 3.58Å; W465-W479 AromaticContact CD2-CE3 3.68Å; W465-W479 HydrophobicContact CD2-CE3 3.68Å; W465-W479 AromaticContact CD2-CZ3 3.88Å; W465-W479 HydrophobicContact CD2-CZ3 3.88Å; W465-W479 HydrophobicContact CE3-CE3 4.33Å; W465-W479 HydrophobicContact CE3-CZ3 4.1Å; W465-W479 HydrophobicContact CG-CD2 4.12Å; W465-W479 AromaticContact CG-CE3 3.43Å; W465-W479 HydrophobicContact CG-CE3 3.43Å; W465-W479 VanDerWaalsContact CG-CE3 3.43Å; W465-W479 AromaticContact CG-CZ3 3.81Å; W465-W479 HydrophobicContact CG-CZ3 3.81Å; W465-W479 AromaticContact NE1-CE3 3.88Å; W465-F502 HydrophobicContact CB-CE1 3.8Å; W465-F502 HydrophobicContact CB-CE2 4.32Å; W465-F502 HydrophobicContact CB-CZ 3.59Å; W465-F502 AromaticContact CD1-CD1 3.88Å; W465-F502 AromaticContact CD1-CE1 3.76Å; W465-F502 HydrophobicContact CG-CE1 4.18Å; W465-F502 HydrophobicContact CG-CZ 4.35Å
466I96.4Very high94.9Very high0 Ų016.5 Ų16.50%09%0.088CC..Hα-helixtrans-62.4-46.9179.2-63.7162.1000110.4F287 N291 F293 I294 A462 I463 H468 Y469 Y470F287-I466 HydrophobicContact CD1-CG2 4.12Å; F287-I466 HydrophobicContact CD2-CG2 3.78Å; F287-I466 HydrophobicContact CE1-CG2 4.12Å; F287-I466 HydrophobicContact CE2-CG2 3.76Å; F287-I466 HydrophobicContact CG-CG2 3.98Å; F287-I466 HydrophobicContact CZ-CG2 3.95Å; N291-I466 WeakPolarHBondContact OD1-CD1 3.2Å; F293-I466 HydrophobicContact CB-CD1 4.14Å; F293-I466 HydrophobicContact CB-CG1 4.03Å; F293-I466 HydrophobicContact CD2-CD1 4.27Å; F293-I466 HydrophobicContact CD2-CG1 3.83Å; F293-I466 HydrophobicContact CD2-CG2 4.21Å; F293-I466 HydrophobicContact CE2-CG2 4.47Å; F293-I466 HydrophobicContact CG-CG1 4.18Å; I294-I466 HydrophobicContact CD1-CD1 3.85Å; I294-I466 HydrophobicContact CG1-CD1 3.89Å; I294-I466 HydrophobicContact CG2-CD1 4.42Å; A462-I466 VanDerWaalsContact O-CG1 3.28Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 2.77Å; I463-I466 PolarHBondContact O-N 3.3Å; I466-H468 VanDerWaalsContact C-N 3.31Å; I466-H468 PolarHBondContact O-N 2.96Å; I466-Y469 WeakPolarHBondContact O-CB 3.26Å; I466-Y469 PolarHBondContact O-N 3.01Å; I466-Y469 VanDerWaalsContact O-N 3.09Å; I466-Y470 HydrophobicContact CG2-CD2 4.09Å; I466-Y470 HydrophobicContact CG2-CE2 4.04Å; I466-Y470 VanDerWaalsContact O-CD2 3.29Å; I466-Y470 WeakPolarHBondContact O-CD2 3.24Å; I466-Y470 PolarHBondContact O-N 3.42Å; I466-Y470 VanDerWaalsContact O-N 3.09Å
467L96.9Very high94.8Very high0 Ų018.4 Ų18.40%010%0.095CC..Hα-helixtrans-56.5-46.5175.1-78.3169.7000111.3L284 F287 N326 L331 I463 Y469 Y470 Y471L284-L467 HydrophobicContact CD1-CD1 4.28Å; F287-L467 HydrophobicContact CD2-CD2 4.12Å; F287-L467 HydrophobicContact CD2-CG 4.44Å; F287-L467 HydrophobicContact CE2-CD2 3.93Å; F287-L467 HydrophobicContact CE2-CG 4.46Å; N326-L467 WeakPolarHBondContact ND2-CD2 3.36Å; L331-L467 HydrophobicContact CD1-CD1 4.16Å; L331-L467 HydrophobicContact CD2-CD1 3.45Å; L331-L467 VanDerWaalsContact CD2-CD1 3.45Å; L331-L467 HydrophobicContact CG-CD1 3.5Å; I463-L467 HydrophobicContact CG2-CD1 4.22Å; I463-L467 WeakPolarHBondContact O-CG 3.34Å; I463-L467 PolarHBondContact O-N 3.43Å; L467-Y469 VanDerWaalsContact C-N 3.34Å; L467-Y469 PolarHBondContact O-N 3.37Å; L467-Y470 PolarHBondContact O-N 3.32Å; L467-Y471 HydrophobicContact CD2-CD2 4.46Å; L467-Y471 HydrophobicContact CD2-CE2 4.03Å; L467-Y471 WeakPolarHBondContact O-CB 3.43Å; L467-Y471 WeakPolarHBondContact O-CD2 3.29Å; L467-Y471 PolarHBondContact O-N 3.01Å
468H95.6Very high94.7Very high20 Ų2019 Ų199%0.09310%0.098CC..Hα-helixtrans-63.8-39.1175.4-72.3-24.9000113.3G329 H330 Q464 W465 I466 Y470 Y471 H472 G473 Q475G329-H468 PolarHBondContact O-CE1 3.03Å; G329-H468 VanDerWaalsContact O-CE1 3.26Å; G329-H468 PolarHBondContact O-ND1 3.42Å; G329-H468 VanDerWaalsContact O-ND1 3.11Å; H330-H468 AromaticContact CE1-CE1 3.37Å; H330-H468 PolarHBondContact CE1-CE1 3.33Å; H330-H468 AromaticContact ND1-CE1 3.37Å; H330-H468 PolarHBondContact ND1-CE1 3.49Å; Q464-H468 PolarHBondContact NE2-CE1 2.93Å; Q464-H468 PolarHBondContact NE2-ND1 3.21Å; Q464-H468 PolarHBondContact NE2-NE2 3.39Å; Q464-H468 PolarHBondContact O-N 3.07Å; W465-H468 PolarHBondContact O-N 3.09Å; I466-H468 VanDerWaalsContact C-N 3.31Å; I466-H468 PolarHBondContact O-N 2.96Å; H468-Y470 PolarHBondContact O-N 2.8Å; H468-Y471 PolarHBondContact O-N 3.46Å; H468-H472 AromaticContact CE1-ND1 3.74Å; H468-H472 AromaticContact CG-ND1 3.89Å; H468-H472 AromaticContact ND1-CE1 3.63Å; H468-H472 AromaticContact ND1-ND1 3.05Å; H468-H472 PolarHBondContact ND1-ND1 3Å; H468-H472 CarbonylContact O-C 3.51Å; H468-H472 WeakPolarHBondContact O-CA 3.04Å; H468-H472 WeakPolarHBondContact O-CB 3.28Å; H468-H472 PolarHBondContact O-N 3.5Å; H468-G473 CarbonylContact C-O 3.51Å; H468-G473 PolarHBondContact O-N 2.91Å; H468-Q475 HydrophobicContact CB-CB 4.34Å; H468-Q475 HydrophobicContact CB-CG 3.4Å
469Y94.7Very high94.7Very high1 Ų119.1 Ų19.10%0.0049%0.094CC..Hα-helixtrans-59.8-37.6179.6-173.3-138.3000112.3P90 E176 H179 F293 W465 I466 L467 G473 V474P90-Y469 HydrophobicContact CG-CE2 4.2Å; E176-Y469 WeakPolarHBondContact OE1-CE1 3.23Å; E176-Y469 PolarHBondContact OE1-OH 2.98Å; H179-Y469 HydrophobicContact CB-CE2 4.06Å; H179-Y469 AromaticContact CD2-CE1 3.33Å; H179-Y469 WeakPolarHBondContact CD2-CE1 3.26Å; H179-Y469 AromaticContact CD2-CZ 3.35Å; H179-Y469 PolarHBondContact CD2-OH 3.34Å; H179-Y469 AromaticContact CE1-CD1 3.22Å; H179-Y469 WeakPolarHBondContact CE1-CD1 3.38Å; H179-Y469 AromaticContact CE1-CD2 3.9Å; H179-Y469 AromaticContact CE1-CE1 3.27Å; H179-Y469 WeakPolarHBondContact CE1-CE1 3.34Å; H179-Y469 AromaticContact CE1-CE2 3.91Å; H179-Y469 AromaticContact CE1-CG 3.57Å; H179-Y469 AromaticContact CE1-CZ 3.64Å; H179-Y469 PolarHBondContact CE1-O 3.03Å; H179-Y469 AromaticContact CG-CE1 3.69Å; H179-Y469 AromaticContact CG-CE2 3.62Å; H179-Y469 AromaticContact CG-CZ 3.29Å; H179-Y469 AromaticContact ND1-CD1 3.81Å; H179-Y469 AromaticContact ND1-CD2 3.68Å; H179-Y469 AromaticContact ND1-CE1 3.64Å; H179-Y469 AromaticContact ND1-CE2 3.46Å; H179-Y469 WeakPolarHBondContact ND1-CE2 3.45Å; H179-Y469 AromaticContact ND1-CG 3.84Å; H179-Y469 AromaticContact ND1-CZ 3.47Å; H179-Y469 PolarHBondContact ND1-O 2.92Å; H179-Y469 VanDerWaalsContact ND1-O 3.17Å; H179-Y469 AromaticContact NE2-CD1 3.42Å; H179-Y469 WeakPolarHBondContact NE2-CD1 3.4Å; H179-Y469 AromaticContact NE2-CE1 3.07Å; H179-Y469 WeakPolarHBondContact NE2-CE1 3.46Å; H179-Y469 AromaticContact NE2-CZ 3.59Å; F293-Y469 AromaticContact CE1-CD1 3.83Å; F293-Y469 HydrophobicContact CE1-CD1 3.83Å; F293-Y469 AromaticContact CE1-CE1 3.56Å; F293-Y469 HydrophobicContact CE1-CE1 3.56Å; F293-Y469 HydrophobicContact CE2-CD1 4.22Å; F293-Y469 HydrophobicContact CE2-CE1 4.47Å; F293-Y469 AromaticContact CZ-CD1 3.55Å; F293-Y469 HydrophobicContact CZ-CD1 3.55Å; F293-Y469 AromaticContact CZ-CE1 3.42Å; F293-Y469 HydrophobicContact CZ-CE1 3.42Å; F293-Y469 VanDerWaalsContact CZ-CE1 3.42Å; W465-Y469 AromaticContact CH2-CD1 3.85Å; W465-Y469 HydrophobicContact CH2-CD1 3.85Å; W465-Y469 HydrophobicContact CH2-CD2 4.43Å; W465-Y469 HydrophobicContact CH2-CE1 4.28Å; W465-Y469 AromaticContact CH2-CG 3.92Å; W465-Y469 HydrophobicContact CH2-CG 3.92Å; W465-Y469 AromaticContact CZ3-CD1 3.91Å; W465-Y469 HydrophobicContact CZ3-CD1 3.91Å; W465-Y469 HydrophobicContact CZ3-CG 4.12Å; W465-Y469 WeakPolarHBondContact O-CB 3.45Å; W465-Y469 PolarHBondContact O-N 2.96Å; I466-Y469 WeakPolarHBondContact O-CB 3.26Å; I466-Y469 PolarHBondContact O-N 3.01Å; I466-Y469 VanDerWaalsContact O-N 3.09Å; L467-Y469 VanDerWaalsContact C-N 3.34Å; L467-Y469 PolarHBondContact O-N 3.37Å; Y469-G473 WeakPolarHBondContact O-CA 3.44Å; Y469-G473 PolarHBondContact O-N 2.99Å; Y469-V474 HydrophobicContact CD2-CB 4.37Å; Y469-V474 HydrophobicContact CD2-CG2 3.64Å; Y469-V474 HydrophobicContact CE2-CB 4.49Å; Y469-V474 HydrophobicContact CE2-CG2 3.33Å
470Y94.9Very high94.6Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-77.5-45.2177.6-81.7-117.5000112.7H179 R186 D208 M211 L212 T215 F287 F293 I466 L467 H468H179-Y470 AromaticContact CE1-CD2 3.73Å; H179-Y470 AromaticContact CE1-CE2 3.89Å; H179-Y470 AromaticContact NE2-CE2 3.85Å; R186-Y470 PolarHBondContact NH1-O 3.04Å; D208-Y470 PolarHBondContact OD2-OH 3.49Å; M211-Y470 HydrophobicContact CB-CE1 4.08Å; L212-Y470 HydrophobicContact CD1-CE1 4.42Å; L212-Y470 HydrophobicContact CD2-CD1 3.17Å; L212-Y470 HydrophobicContact CD2-CD2 4.44Å; L212-Y470 HydrophobicContact CD2-CE1 3.44Å; L212-Y470 VanDerWaalsContact CD2-CE1 3.44Å; L212-Y470 HydrophobicContact CD2-CG 3.75Å; L212-Y470 HydrophobicContact CG-CD1 3.7Å; L212-Y470 HydrophobicContact CG-CE1 3.51Å; T215-Y470 HydrophobicContact CG2-CD1 4.25Å; F287-Y470 HydrophobicContact CE1-CD1 4.09Å; F287-Y470 HydrophobicContact CE1-CD2 4.38Å; F287-Y470 AromaticContact CE1-CE1 3.67Å; F287-Y470 HydrophobicContact CE1-CE1 3.67Å; F287-Y470 HydrophobicContact CE1-CE2 4.05Å; F287-Y470 HydrophobicContact CE1-CG 4.42Å; F287-Y470 AromaticContact CE1-CZ 3.68Å; F287-Y470 HydrophobicContact CE2-CG 4.37Å; F287-Y470 AromaticContact CZ-CD1 3.51Å; F287-Y470 HydrophobicContact CZ-CD1 3.51Å; F287-Y470 AromaticContact CZ-CD2 3.78Å; F287-Y470 HydrophobicContact CZ-CD2 3.78Å; F287-Y470 AromaticContact CZ-CE1 3.6Å; F287-Y470 HydrophobicContact CZ-CE1 3.6Å; F287-Y470 AromaticContact CZ-CE2 3.92Å; F287-Y470 HydrophobicContact CZ-CE2 3.92Å; F287-Y470 AromaticContact CZ-CG 3.6Å; F287-Y470 HydrophobicContact CZ-CG 3.6Å; F287-Y470 AromaticContact CZ-CZ 3.84Å; F293-Y470 AromaticContact CE2-CE2 3.87Å; F293-Y470 HydrophobicContact CE2-CE2 3.87Å; F293-Y470 HydrophobicContact CZ-CE2 4.4Å; I466-Y470 HydrophobicContact CG2-CD2 4.09Å; I466-Y470 HydrophobicContact CG2-CE2 4.04Å; I466-Y470 VanDerWaalsContact O-CD2 3.29Å; I466-Y470 WeakPolarHBondContact O-CD2 3.24Å; I466-Y470 PolarHBondContact O-N 3.42Å; I466-Y470 VanDerWaalsContact O-N 3.09Å; L467-Y470 PolarHBondContact O-N 3.32Å; H468-Y470 PolarHBondContact O-N 2.8Å
471Y94.1Very high94.6Very high22 Ų2221.9 Ų21.99%0.08611%0.105CC..Hα-helixtrans-87.2-36.3-172.9-75.9-103.5000113.9R186 T215 D280 I283 N326 L467 H468R186-Y471 WeakPolarHBondContact CD-O 3.38Å; T215-Y471 HydrophobicContact CG2-CD2 4.25Å; T215-Y471 HydrophobicContact CG2-CE2 3.73Å; D280-Y471 WeakPolarHBondContact CA-OH 3.07Å; D280-Y471 VanDerWaalsContact OD1-CE1 3.27Å; D280-Y471 WeakPolarHBondContact OD1-CE1 3.4Å; D280-Y471 PolarHBondContact OD1-OH 3.47Å; I283-Y471 WeakPolarHBondContact CD1-OH 3.12Å; I283-Y471 HydrophobicContact CG2-CE2 4.49Å; N326-Y471 PolarHBondContact ND2-OH 3.22Å; L467-Y471 HydrophobicContact CD2-CD2 4.46Å; L467-Y471 HydrophobicContact CD2-CE2 4.03Å; L467-Y471 WeakPolarHBondContact O-CB 3.43Å; L467-Y471 WeakPolarHBondContact O-CD2 3.29Å; L467-Y471 PolarHBondContact O-N 3.01Å; H468-Y471 PolarHBondContact O-N 3.46Å
472H91.3Very high94.4Very high79 Ų7921.8 Ų21.837%0.36611%0.108SC..THydrogen-bonded Turntrans-121.6-5.7-169.1-52.9139000113.5S328 H330 H468 Q475S328-H472 PolarHBondContact O-CE1 2.96Å; S328-H472 PolarHBondContact O-NE2 2.93Å; H330-H472 AromaticContact CD2-CE1 3.72Å; H330-H472 AromaticContact NE2-CE1 3.38Å; H330-H472 PolarHBondContact NE2-CE1 2.7Å; H468-H472 AromaticContact CE1-ND1 3.74Å; H468-H472 AromaticContact CG-ND1 3.89Å; H468-H472 AromaticContact ND1-CE1 3.63Å; H468-H472 AromaticContact ND1-ND1 3.05Å; H468-H472 PolarHBondContact ND1-ND1 3Å; H468-H472 CarbonylContact O-C 3.51Å; H468-H472 WeakPolarHBondContact O-CA 3.04Å; H468-H472 WeakPolarHBondContact O-CB 3.28Å; H468-H472 PolarHBondContact O-N 3.5Å; H472-Q475 PolarHBondContact O-NE2 3.39Å
473G89.5Confident94.2Very high9 Ų924.8 Ų24.89%0.09312%0.12CC..  trans79.8-176.5-169.700000112.6H468 Y469 Q475H468-G473 CarbonylContact C-O 3.51Å; H468-G473 PolarHBondContact O-N 2.91Å; Y469-G473 WeakPolarHBondContact O-CA 3.44Å; Y469-G473 PolarHBondContact O-N 2.99Å; G473-Q475 PolarHBondContact O-N 3.11Å; G473-Q475 PolarHBondContact O-NE2 3.14Å; G473-Q475 VanDerWaalsContact O-NE2 3.11Å
474V89.6Confident94Very high26 Ų2627.5 Ų27.516%0.15813%0.133CC..  trans-60.1122-172.8-175.80000110.8P90 Y469 S476 W477 L504P90-V474 HydrophobicContact CG-CG1 4.15Å; P90-V474 HydrophobicContact CG-CG2 3.76Å; Y469-V474 HydrophobicContact CD2-CB 4.37Å; Y469-V474 HydrophobicContact CD2-CG2 3.64Å; Y469-V474 HydrophobicContact CE2-CB 4.49Å; Y469-V474 HydrophobicContact CE2-CG2 3.33Å; V474-S476 WeakPolarHBondContact CG1-O 3.38Å; V474-W477 HydrophobicContact CB-CZ2 4.26Å; V474-W477 HydrophobicContact CG1-CD2 3.87Å; V474-W477 HydrophobicContact CG1-CE3 4.46Å; V474-W477 HydrophobicContact CG1-CG 3.96Å; V474-W477 HydrophobicContact CG1-CZ2 4.41Å; V474-W477 HydrophobicContact CG2-CH2 4.15Å; V474-W477 HydrophobicContact CG2-CZ2 3.99Å; V474-L504 WeakPolarHBondContact O-CD1 3.42Å
475Q90.8Very high93.8Very high67 Ų6727.2 Ų27.231%0.31313%0.131SC..SBendtrans-101.7-12.2173.2-58.4-56.1-56.900113.2H468 H472 G473 F502 L504H468-Q475 HydrophobicContact CB-CB 4.34Å; H468-Q475 HydrophobicContact CB-CG 3.4Å; H472-Q475 PolarHBondContact O-NE2 3.39Å; G473-Q475 PolarHBondContact O-N 3.11Å; G473-Q475 PolarHBondContact O-NE2 3.14Å; G473-Q475 VanDerWaalsContact O-NE2 3.11Å; Q475-F502 HydrophobicContact CB-CB 4.28Å; Q475-F502 HydrophobicContact CB-CD2 4.48Å; Q475-L504 WeakPolarHBondContact O-CA 3.47Å
476S93.9Very high93.7Very high3 Ų327.2 Ų27.22%0.02113%0.131CC..  trans-156.6124169.6-176.30000110.1W465 V474 S478 W479 E503W465-S476 PolarHBondContact NE1-O 3.43Å; W465-S476 VanDerWaalsContact NE1-O 3.11Å; V474-S476 WeakPolarHBondContact CG1-O 3.38Å; S476-S478 PolarHBondContact OG-N 3.47Å; S476-W479 VanDerWaalsContact OG-CB 3.28Å; S476-W479 WeakPolarHBondContact OG-CB 3.47Å; S476-W479 PolarHBondContact OG-N 3.23Å; S476-E503 WeakPolarHBondContact CA-O 3.39Å; S476-E503 WeakPolarHBondContact CB-O 3.41Å; S476-E503 PolarHBondContact OG-O 2.74Å
477W93Very high93.6Very high40 Ų4027.2 Ų27.215%0.15213%0.131CC..SBendtrans-77.8-27.4173.2-71.697.2000112.5V88 P90 R91 P174 V474 L504 K506 P507V88-W477 WeakPolarHBondContact O-CZ3 3.42Å; P90-W477 HydrophobicContact CB-CE3 4.23Å; P90-W477 HydrophobicContact CG-CE3 3.96Å; P90-W477 HydrophobicContact CG-CZ3 3.93Å; R91-W477 VanDerWaalsContact CB-O 3.29Å; R91-W477 WeakPolarHBondContact CB-O 3.44Å; R91-W477 PolarHBondContact N-O 3.11Å; P174-W477 HydrophobicContact CB-CH2 3.65Å; P174-W477 HydrophobicContact CB-CZ2 4.25Å; P174-W477 HydrophobicContact CB-CZ3 4.22Å; V474-W477 HydrophobicContact CB-CZ2 4.26Å; V474-W477 HydrophobicContact CG1-CD2 3.87Å; V474-W477 HydrophobicContact CG1-CE3 4.46Å; V474-W477 HydrophobicContact CG1-CG 3.96Å; V474-W477 HydrophobicContact CG1-CZ2 4.41Å; V474-W477 HydrophobicContact CG2-CH2 4.15Å; V474-W477 HydrophobicContact CG2-CZ2 3.99Å; W477-L504 VanDerWaalsContact CD1-O 3.25Å; W477-L504 PolarHBondContact N-O 3.37Å; W477-K506 WeakPolarHBondContact CB-O 3.37Å; W477-P507 HydrophobicContact CD2-CB 3.81Å; W477-P507 HydrophobicContact CD2-CG 4.42Å; W477-P507 HydrophobicContact CE3-CB 3.62Å; W477-P507 HydrophobicContact CG-CB 4.43Å; W477-P507 HydrophobicContact CH2-CB 4.25Å; W477-P507 HydrophobicContact CZ2-CB 4.4Å; W477-P507 HydrophobicContact CZ3-CB 3.86Å
478S93Very high93.4Very high39 Ų3927.3 Ų27.327%0.27313%0.132SC..SBendtrans-99.3-17-174.557.30000114.1R91 S476R91-S478 VanDerWaalsContact CD-O 3.31Å; R91-S478 WeakPolarHBondContact CD-O 3.47Å; S476-S478 PolarHBondContact OG-N 3.47Å
479W94.9Very high93.4Very high32 Ų3226.5 Ų26.512%0.12113%0.128CC..  trans-68141.5177.6-177.291.3000111.4A92 Q461 A462 W465 S476 F502A92-W479 HydrophobicContact CB-CE3 4.14Å; A92-W479 HydrophobicContact CB-CZ3 4.01Å; A92-W479 PolarHBondContact N-O 3.21Å; A92-W479 VanDerWaalsContact N-O 3.13Å; Q461-W479 HydrophobicContact CG-CZ2 4.4Å; A462-W479 HydrophobicContact CB-CH2 3.45Å; A462-W479 VanDerWaalsContact CB-CH2 3.45Å; A462-W479 HydrophobicContact CB-CZ2 3.86Å; W465-W479 HydrophobicContact CB-CD2 4.38Å; W465-W479 HydrophobicContact CB-CE3 3.9Å; W465-W479 HydrophobicContact CB-CH2 4.47Å; W465-W479 HydrophobicContact CB-CZ3 3.94Å; W465-W479 AromaticContact CD1-CD2 3.99Å; W465-W479 AromaticContact CD1-CE3 3.58Å; W465-W479 AromaticContact CD2-CE3 3.68Å; W465-W479 HydrophobicContact CD2-CE3 3.68Å; W465-W479 AromaticContact CD2-CZ3 3.88Å; W465-W479 HydrophobicContact CD2-CZ3 3.88Å; W465-W479 HydrophobicContact CE3-CE3 4.33Å; W465-W479 HydrophobicContact CE3-CZ3 4.1Å; W465-W479 HydrophobicContact CG-CD2 4.12Å; W465-W479 AromaticContact CG-CE3 3.43Å; W465-W479 HydrophobicContact CG-CE3 3.43Å; W465-W479 VanDerWaalsContact CG-CE3 3.43Å; W465-W479 AromaticContact CG-CZ3 3.81Å; W465-W479 HydrophobicContact CG-CZ3 3.81Å; W465-W479 AromaticContact NE1-CE3 3.88Å; S476-W479 VanDerWaalsContact OG-CB 3.28Å; S476-W479 WeakPolarHBondContact OG-CB 3.47Å; S476-W479 PolarHBondContact OG-N 3.23Å; W479-F502 HydrophobicContact CB-CD1 4.38Å; W479-F502 AromaticContact CD1-CE1 3.89Å; W479-F502 HydrophobicContact CD2-CE1 4.1Å; W479-F502 HydrophobicContact CG-CD1 4.08Å; W479-F502 AromaticContact CG-CE1 3.97Å; W479-F502 HydrophobicContact CG-CE1 3.97Å; W479-F502 AromaticContact NE1-CE1 4Å
480Y95Very high93.3Very high54 Ų5427.2 Ų27.221%0.21213%0.133CC..  trans-152.4159.4172.672.8-76.5000110.5R91 N95 P482 F568R91-Y480 HydrophobicContact CG-CD1 4.15Å; R91-Y480 HydrophobicContact CG-CG 4.33Å; N95-Y480 VanDerWaalsContact ND2-CD2 3.26Å; N95-Y480 WeakPolarHBondContact ND2-CD2 3.31Å; Y480-P482 HydrophobicContact CE2-CB 3.87Å; Y480-P482 WeakPolarHBondContact O-CD 3.13Å; Y480-F568 HydrophobicContact CE2-CB 4.24Å; Y480-F568 HydrophobicContact CE2-CD1 4.18Å; Y480-F568 HydrophobicContact CE2-CG 4.13Å
481Y95.7Very high93.3Very high7 Ų727.9 Ų27.93%0.02714%0.136CC..  trans-81.3118.8173.1-176.9-105000110.6I294 P295 C458 Y459 A462 Y483 Y485I294-Y481 HydrophobicContact CG2-CD1 4.37Å; I294-Y481 HydrophobicContact CG2-CD2 4.31Å; I294-Y481 HydrophobicContact CG2-CG 3.89Å; P295-Y481 VanDerWaalsContact CD-CD1 3.48Å; P295-Y481 HydrophobicContact CG-CD1 3.98Å; P295-Y481 HydrophobicContact CG-CE1 3.53Å; C458-Y481 HydrophobicContact CB-CD2 4.39Å; C458-Y481 HydrophobicContact CB-CE2 4.19Å; Y459-Y481 HydrophobicContact CD2-CE2 4.22Å; A462-Y481 HydrophobicContact CB-CD2 4.22Å; Y481-Y483 VanDerWaalsContact C-N 3.29Å; Y481-Y483 WeakPolarHBondContact CD1-O 3.28Å; Y481-Y483 HydrophobicContact CE1-CD2 4.14Å; Y481-Y483 HydrophobicContact CE1-CG 4.37Å; Y481-Y483 WeakPolarHBondContact CE1-O 3.49Å; Y481-Y483 AromaticContact CE2-CD2 3.95Å; Y481-Y483 HydrophobicContact CE2-CD2 3.95Å; Y481-Y483 AromaticContact CZ-CD2 3.71Å; Y481-Y483 PolarHBondContact O-N 3.26Å; Y481-Y485 WeakPolarHBondContact CE1-O 3.45Å; Y481-Y485 PolarHBondContact OH-O 3.15Å
482P93.4Very high93.3Very high46 Ų4627 Ų2730%0.29913%0.133SC..  trans-8920.4-16636.1-36.4000114.9Y480 F568Y480-P482 HydrophobicContact CE2-CB 3.87Å; Y480-P482 WeakPolarHBondContact O-CD 3.13Å; P482-F568 WeakPolarHBondContact O-CE2 3.41Å
483Y93.2Very high93.1Very high63 Ų6329.8 Ų29.825%0.24714%0.14CC..  trans-131.2146.7179.3-50.9-83.2000110.8F451 Q455 C458 Y481 Y485F451-Y483 HydrophobicContact CE2-CE1 4.3Å; Q455-Y483 HydrophobicContact CG-CD2 4.49Å; Q455-Y483 HydrophobicContact CG-CE2 4.39Å; C458-Y483 HydrophobicContact CB-CE2 4.24Å; Y481-Y483 VanDerWaalsContact C-N 3.29Å; Y481-Y483 WeakPolarHBondContact CD1-O 3.28Å; Y481-Y483 HydrophobicContact CE1-CD2 4.14Å; Y481-Y483 HydrophobicContact CE1-CG 4.37Å; Y481-Y483 WeakPolarHBondContact CE1-O 3.49Å; Y481-Y483 AromaticContact CE2-CD2 3.95Å; Y481-Y483 HydrophobicContact CE2-CD2 3.95Å; Y481-Y483 AromaticContact CZ-CD2 3.71Å; Y481-Y483 PolarHBondContact O-N 3.26Å; Y483-Y485 PolarHBondContact O-N 2.93Å
484H93Very high93.1Very high56 Ų5634 Ų3426%0.25917%0.169SC..SBendtrans-75.2-14.2175.1-60.394.9000113.5P295 V563 L565 I566 F568P295-H484 WeakPolarHBondContact CB-O 3.36Å; H484-V563 HydrophobicContact CB-CG1 3.93Å; H484-L565 HydrophobicContact CB-CD2 3.97Å; H484-I566 PolarHBondContact NE2-O 3.45Å; H484-F568 AromaticContact CD2-CZ 3.69Å; H484-F568 AromaticContact CE1-CE2 3.35Å; H484-F568 WeakPolarHBondContact CE1-CE2 3.49Å; H484-F568 AromaticContact CE1-CZ 3.68Å; H484-F568 AromaticContact CG-CZ 3.94Å; H484-F568 AromaticContact ND1-CE2 3.68Å; H484-F568 AromaticContact ND1-CZ 3.95Å; H484-F568 AromaticContact NE2-CE2 3.66Å; H484-F568 AromaticContact NE2-CZ 3.51Å
485Y93.8Very high93.3Very high7 Ų733 Ų333%0.02716%0.162CC..SBendtrans-133.7152.8-173.3-56.6-82.8000112K441 M442 Y481 Y483 D552 N554 V563 L565K441-Y485 HydrophobicContact CB-CD1 4.44Å; K441-Y485 HydrophobicContact CB-CD2 3.96Å; K441-Y485 HydrophobicContact CB-CE1 4.43Å; K441-Y485 HydrophobicContact CB-CE2 3.98Å; K441-Y485 HydrophobicContact CB-CG 4.21Å; K441-Y485 HydrophobicContact CD-CE1 4.17Å; K441-Y485 WeakPolarHBondContact O-CD2 3.49Å; K441-Y485 WeakPolarHBondContact O-CE2 3.15Å; M442-Y485 VanDerWaalsContact CE-CB 3.48Å; M442-Y485 HydrophobicContact CG-CD2 4.35Å; Y481-Y485 WeakPolarHBondContact CE1-O 3.45Å; Y481-Y485 PolarHBondContact OH-O 3.15Å; Y483-Y485 PolarHBondContact O-N 2.93Å; Y485-D552 WeakPolarHBondContact CE1-OD2 3.33Å; Y485-D552 PolarHBondContact OH-OD2 2.77Å; Y485-N554 HydrophobicContact CE1-CB 4.41Å; Y485-V563 HydrophobicContact CE1-CB 4.42Å; Y485-V563 HydrophobicContact CE1-CG1 4.37Å; Y485-V563 HydrophobicContact CE1-CG2 4.13Å; Y485-L565 HydrophobicContact CE2-CD2 4.08Å
486A94.3Very high93.3Very high0 Ų031.9 Ų31.90%016%0.162CC..PPolyproline II helixtrans-86.4156.2177.300000111.5P295 H296 L297 Y437 M442 Y459P295-A486 HydrophobicContact CB-CB 4.46Å; P295-A486 HydrophobicContact CG-CB 4.16Å; H296-A486 WeakPolarHBondContact O-CB 3.47Å; L297-A486 HydrophobicContact CD2-CB 4.3Å; Y437-A486 PolarHBondContact OH-O 3.41Å; M442-A486 WeakPolarHBondContact CE-O 3.37Å; Y459-A486 HydrophobicContact CD2-CB 4.15Å; Y459-A486 HydrophobicContact CE2-CB 3.71Å
487P95Very high93.2Very high1 Ų137.6 Ų37.61%0.00620%0.197CC..PPolyproline II helixtrans-70.4163.7168.829.7-33000111.6L297 P298 Q455 Y459 I492L297-P487 WeakPolarHBondContact CD2-O 3.07Å; P298-P487 VanDerWaalsContact CD-O 3.29Å; P298-P487 WeakPolarHBondContact CD-O 3.31Å; Q455-P487 HydrophobicContact CG-CB 4.1Å; Q455-P487 HydrophobicContact CG-CG 4.28Å; Y459-P487 HydrophobicContact CD2-CG 4.19Å; Y459-P487 HydrophobicContact CG-CG 3.96Å; P487-I492 HydrophobicContact CB-CG1 4.36Å; P487-I492 HydrophobicContact CG-CD1 4.03Å; P487-I492 HydrophobicContact CG-CG1 3.87Å
488F93.8Very high93.2Very high2 Ų238.2 Ų38.21%0.00920%0.203CC..PPolyproline II helixtrans-68146.9164.9-85.3-85.6000111P298 D347 Y433 K434 Y437 Y438 S490 D491 I492P298-F488 HydrophobicContact CB-CD1 4.35Å; P298-F488 HydrophobicContact CB-CE1 4.07Å; P298-F488 HydrophobicContact CB-CZ 4.32Å; P298-F488 HydrophobicContact CG-CD1 4.43Å; P298-F488 HydrophobicContact CG-CE1 4.48Å; P298-F488 HydrophobicContact CG-CG 4.48Å; D347-F488 HydrophobicContact CB-CD1 4.4Å; Y433-F488 HydrophobicContact CD1-CZ 4.37Å; Y433-F488 HydrophobicContact CE1-CE1 4.33Å; Y433-F488 AromaticContact CE1-CZ 3.86Å; Y433-F488 HydrophobicContact CE1-CZ 3.86Å; K434-F488 HydrophobicContact CB-CD2 4.2Å; K434-F488 HydrophobicContact CB-CE2 4.26Å; K434-F488 HydrophobicContact CD-CB 3.89Å; K434-F488 HydrophobicContact CD-CD1 4.21Å; K434-F488 HydrophobicContact CD-CD2 3.87Å; K434-F488 HydrophobicContact CD-CE2 4.45Å; K434-F488 HydrophobicContact CD-CG 3.73Å; K434-F488 HydrophobicContact CG-CD1 4.37Å; K434-F488 HydrophobicContact CG-CD2 3.76Å; K434-F488 HydrophobicContact CG-CE1 4.46Å; K434-F488 HydrophobicContact CG-CE2 3.85Å; K434-F488 HydrophobicContact CG-CG 4.02Å; K434-F488 HydrophobicContact CG-CZ 4.22Å; Y437-F488 AromaticContact CD1-CD2 3.94Å; Y437-F488 HydrophobicContact CD1-CD2 3.94Å; Y437-F488 AromaticContact CD1-CE2 3.51Å; Y437-F488 HydrophobicContact CD1-CE2 3.51Å; Y437-F488 HydrophobicContact CD2-CE2 4.12Å; Y437-F488 HydrophobicContact CE1-CD2 4.28Å; Y437-F488 HydrophobicContact CE1-CE2 4.08Å; Y437-F488 HydrophobicContact CG-CD2 4.41Å; Y437-F488 AromaticContact CG-CE2 3.54Å; Y437-F488 HydrophobicContact CG-CE2 3.54Å; Y437-F488 HydrophobicContact CG-CZ 4.3Å; Y438-F488 HydrophobicContact CE2-CD2 4.35Å; Y438-F488 PolarHBondContact OH-N 3.02Å; Y438-F488 VanDerWaalsContact OH-N 3.11Å; F488-S490 VanDerWaalsContact C-N 3.26Å; F488-S490 PolarHBondContact O-N 3.11Å; F488-D491 PolarHBondContact O-N 3.01Å; F488-I492 PolarHBondContact O-N 3.31Å
489L93.8Very high93.1Very high2 Ų245.9 Ų45.91%0.0123%0.232CC..G310 helixtrans-57.2-42178.3-79.4164.4000111.6L297 L340 L343 F346 D347 D491 I492L297-L489 HydrophobicContact CD1-CD2 3.76Å; L297-L489 HydrophobicContact CD1-CG 4.21Å; L297-L489 HydrophobicContact CD2-CD2 4.34Å; L297-L489 HydrophobicContact CD2-CG 4.4Å; L340-L489 HydrophobicContact CD2-CD2 3.9Å; L343-L489 HydrophobicContact CD2-CD1 4.1Å; L343-L489 HydrophobicContact CD2-CD2 3.91Å; L343-L489 HydrophobicContact CG-CD1 3.92Å; L343-L489 HydrophobicContact CG-CD2 4.39Å; F346-L489 HydrophobicContact CD1-CD1 4.22Å; D347-L489 PolarHBondContact OD2-N 3.31Å; L489-D491 PolarHBondContact O-N 3.48Å; L489-D491 VanDerWaalsContact O-N 3.15Å; L489-I492 PolarHBondContact O-N 3.37Å; L489-I492 VanDerWaalsContact O-N 3.07Å
490S93.8Very high93Very high16 Ų1646.6 Ų46.611%0.11224%0.237CC..G310 helixtrans-64.3-13.5178.255.40000114.6D347 K434 F488D347-S490 VanDerWaalsContact OD2-CB 3.27Å; D347-S490 WeakPolarHBondContact OD2-CB 3.24Å; D347-S490 PolarHBondContact OD2-N 2.68Å; D347-S490 PolarHBondContact OD2-OG 3.12Å; K434-S490 PolarHBondContact NZ-OG 2.78Å; F488-S490 VanDerWaalsContact C-N 3.26Å; F488-S490 PolarHBondContact O-N 3.11Å
491D94.6Very high92.8Very high14 Ų1450.8 Ų50.88%0.07526%0.258CS..G310 helixtrans-100.2-9.2175.5-63.4-37000113K434 Y438 L452 F488 L489 R493K434-D491 VanDerWaalsContact NZ-CG 3.34Å; K434-D491 IonicContact NZ-OD1 3.84Å; K434-D491 PolarHBondContact NZ-OD1 2.88Å; K434-D491 IonicContact NZ-OD2 3.79Å; K434-D491 PolarHBondContact NZ-OD2 3.47Å; Y438-D491 WeakPolarHBondContact CE2-OD2 3.33Å; Y438-D491 PolarHBondContact OH-OD2 3.12Å; L452-D491 HydrophobicContact CD2-CB 4.49Å; F488-D491 PolarHBondContact O-N 3.01Å; L489-D491 PolarHBondContact O-N 3.48Å; L489-D491 VanDerWaalsContact O-N 3.15Å; D491-R493 PolarHBondContact O-N 3Å; D491-R493 VanDerWaalsContact O-N 3.08Å
492I93.8Very high92.7Very high3 Ų351.8 Ų51.82%0.01526%0.263CS..  trans-83.283.1174.6-50.5172.8000109.5L297 L340 A456 Y459 V460 P487 F488 L489 I495L297-I492 HydrophobicContact CD2-CD1 4.23Å; L340-I492 HydrophobicContact CD1-CB 4.34Å; L340-I492 HydrophobicContact CD1-CG2 3.72Å; A456-I492 HydrophobicContact CB-CB 4.45Å; A456-I492 HydrophobicContact CB-CG2 4.25Å; Y459-I492 HydrophobicContact CD1-CD1 3.77Å; Y459-I492 HydrophobicContact CE1-CD1 4.09Å; Y459-I492 HydrophobicContact CG-CD1 4.49Å; V460-I492 HydrophobicContact CG2-CG2 3.78Å; P487-I492 HydrophobicContact CB-CG1 4.36Å; P487-I492 HydrophobicContact CG-CD1 4.03Å; P487-I492 HydrophobicContact CG-CG1 3.87Å; F488-I492 PolarHBondContact O-N 3.31Å; L489-I492 PolarHBondContact O-N 3.37Å; L489-I492 VanDerWaalsContact O-N 3.07Å; I492-I495 HydrophobicContact CG2-CD1 4.37Å; I492-I495 HydrophobicContact CG2-CG2 4.06Å
493R88.1Confident92.6Very high138 Ų13856.5 Ų56.552%0.52128%0.281SS..  trans-134.1161.4-177.663.5-175.7178.7178.6-0.6112D449 D491 I495D449-R493 IonicContact OD1-NH2 2.73Å; D491-R493 PolarHBondContact O-N 3Å; D491-R493 VanDerWaalsContact O-N 3.08Å; R493-I495 VanDerWaalsContact C-N 3.35Å
494S88.8Confident92.4Very high98 Ų9858.1 Ų58.169%0.68529%0.293SS*.SBendtrans62.137.4179.9-51.90000113.8E337E337-S494 WeakPolarHBondContact OE1-CA 3.34Å; E337-S494 PolarHBondContact OE1-N 2.85Å
495I93.2Very high92.2Very high5 Ų557.6 Ų57.63%0.02630%0.303CS..  trans-96.1-13.5-178.367.5167.1000112.8F336 E337 L340 V460 I492 R493 T497 L498F336-I495 HydrophobicContact CD1-CD1 3.96Å; F336-I495 HydrophobicContact CE1-CD1 4.48Å; E337-I495 HydrophobicContact CB-CD1 4.14Å; E337-I495 HydrophobicContact CB-CG1 3.75Å; E337-I495 HydrophobicContact CG-CG1 4.12Å; E337-I495 PolarHBondContact OE1-N 3.31Å; L340-I495 HydrophobicContact CD1-CD1 4Å; V460-I495 HydrophobicContact CG1-CD1 4.28Å; V460-I495 HydrophobicContact CG2-CB 4.31Å; V460-I495 HydrophobicContact CG2-CD1 3.69Å; V460-I495 HydrophobicContact CG2-CG2 3.95Å; I492-I495 HydrophobicContact CG2-CD1 4.37Å; I492-I495 HydrophobicContact CG2-CG2 4.06Å; R493-I495 VanDerWaalsContact C-N 3.35Å; I495-T497 PolarHBondContact O-N 3.4Å; I495-T497 VanDerWaalsContact O-N 3.11Å; I495-L498 VanDerWaalsContact O-CB 3.23Å; I495-L498 WeakPolarHBondContact O-CB 3.23Å; I495-L498 PolarHBondContact O-N 2.72Å
496S91.6Very high91.9Very high44 Ų4465.8 Ų65.831%0.30834%0.339SS..THydrogen-bonded Turntrans-58.4-26.7-175420000114.5E337E337-S496 WeakPolarHBondContact OE2-CB 3.33Å; E337-S496 PolarHBondContact OE2-OG 2.95Å
497T90.8Very high91.8Very high123 Ų12367.4 Ų67.476%0.75535%0.35SS*.THydrogen-bonded Turntrans-103.47.3178.260.10000114I495 K499I495-T497 PolarHBondContact O-N 3.4Å; I495-T497 VanDerWaalsContact O-N 3.11Å; T497-K499 PolarHBondContact O-N 2.66Å
498L92.9Very high91.7Very high53 Ų5368.2 Ų68.228%0.27735%0.353SS..  trans-64.1133.6-178.3-176.466.8000110.4L333 A457 V460 I495 I500L333-L498 HydrophobicContact CD1-CB 4.03Å; L333-L498 VanDerWaalsContact CD1-O 3.26Å; L333-L498 WeakPolarHBondContact CD1-O 3.38Å; A457-L498 HydrophobicContact CB-CD1 3.88Å; A457-L498 HydrophobicContact CB-CD2 4.17Å; V460-L498 HydrophobicContact CB-CD2 4.23Å; V460-L498 HydrophobicContact CG1-CD2 4.18Å; I495-L498 VanDerWaalsContact O-CB 3.23Å; I495-L498 WeakPolarHBondContact O-CB 3.23Å; I495-L498 PolarHBondContact O-N 2.72Å; L498-I500 HydrophobicContact CD2-CD1 4.13Å; L498-I500 HydrophobicContact CD2-CG1 3.91Å; L498-I500 HydrophobicContact CG-CG1 4.01Å
499K91.3Very high91.8Very high200 Ų20072.4 Ų72.487%0.8737%0.371SS*.  trans-99.9112.6173.7-67-175.2-179.1-179.50109T497T497-K499 PolarHBondContact O-N 2.66Å
500I93.6Very high91.9Very high46 Ų4672.4 Ų72.424%0.23637%0.371CS..  trans-101.6122.6-179.5-58.2171.8000108.6L333 V460 Q461 Q464 L498 F502L333-I500 HydrophobicContact CD1-CD1 4.34Å; L333-I500 HydrophobicContact CD2-CD1 4.27Å; V460-I500 HydrophobicContact CG1-CD1 4.22Å; Q461-I500 HydrophobicContact CG-CG2 4.03Å; Q464-I500 HydrophobicContact CB-CD1 3.83Å; Q464-I500 HydrophobicContact CB-CG2 4.29Å; Q464-I500 HydrophobicContact CG-CD1 3.99Å; Q464-I500 HydrophobicContact CG-CG2 3.93Å; L498-I500 HydrophobicContact CD2-CD1 4.13Å; L498-I500 HydrophobicContact CD2-CG1 3.91Å; L498-I500 HydrophobicContact CG-CG1 4.01Å; I500-F502 HydrophobicContact CG2-CD2 4.18Å; I500-F502 HydrophobicContact CG2-CE1 4.48Å; I500-F502 HydrophobicContact CG2-CE2 3.4Å; I500-F502 VanDerWaalsContact CG2-CE2 3.4Å; I500-F502 HydrophobicContact CG2-CZ 3.58Å
501H91.1Very high92.1Very high142 Ų14271.6 Ų71.666%0.65737%0.366SS*.  trans-136.1142.2173.8-176.163.7000109.4
502F93.1Very high92.2Very high28 Ų2872.1 Ų72.112%0.12337%0.368CS..  trans-124.6134.4178.3-64.5-70.8000109.4Q461 Q464 W465 Q475 W479 I500Q461-F502 HydrophobicContact CG-CE1 3.53Å; Q461-F502 HydrophobicContact CG-CZ 3.57Å; Q461-F502 WeakPolarHBondContact O-CZ 3.45Å; Q464-F502 HydrophobicContact CB-CE2 4.5Å; Q464-F502 HydrophobicContact CG-CE2 4.08Å; W465-F502 HydrophobicContact CB-CE1 3.8Å; W465-F502 HydrophobicContact CB-CE2 4.32Å; W465-F502 HydrophobicContact CB-CZ 3.59Å; W465-F502 AromaticContact CD1-CD1 3.88Å; W465-F502 AromaticContact CD1-CE1 3.76Å; W465-F502 HydrophobicContact CG-CE1 4.18Å; W465-F502 HydrophobicContact CG-CZ 4.35Å; Q475-F502 HydrophobicContact CB-CB 4.28Å; Q475-F502 HydrophobicContact CB-CD2 4.48Å; W479-F502 HydrophobicContact CB-CD1 4.38Å; W479-F502 AromaticContact CD1-CE1 3.89Å; W479-F502 HydrophobicContact CD2-CE1 4.1Å; W479-F502 HydrophobicContact CG-CD1 4.08Å; W479-F502 AromaticContact CG-CE1 3.97Å; W479-F502 HydrophobicContact CG-CE1 3.97Å; W479-F502 AromaticContact NE1-CE1 4Å; I500-F502 HydrophobicContact CG2-CD2 4.18Å; I500-F502 HydrophobicContact CG2-CE1 4.48Å; I500-F502 HydrophobicContact CG2-CE2 3.4Å; I500-F502 VanDerWaalsContact CG2-CE2 3.4Å; I500-F502 HydrophobicContact CG2-CZ 3.58Å
503E90.8Very high92.3Very high146 Ų14672 Ų7268%0.68237%0.367SS*.  trans-93.5127.2168.4-65.1-177.3-177.900108.6S476 G505S476-E503 WeakPolarHBondContact CA-O 3.39Å; S476-E503 WeakPolarHBondContact CB-O 3.41Å; S476-E503 PolarHBondContact OG-O 2.74Å; E503-G505 VanDerWaalsContact C-N 3.28Å; E503-G505 PolarHBondContact O-N 2.84Å
504L88.8Confident92.7Very high96 Ų9665.4 Ų65.450%0.50334%0.342SS..  trans-58.6-41.4-175-175.160.2000112V474 Q475 W477V474-L504 WeakPolarHBondContact O-CD1 3.42Å; Q475-L504 WeakPolarHBondContact O-CA 3.47Å; W477-L504 VanDerWaalsContact CD1-O 3.25Å; W477-L504 PolarHBondContact N-O 3.37Å
505G88.7Confident93.1Very high46 Ų4660.7 Ų60.747%0.47431%0.31SS..  trans61.9-155.6-175.700000112.3E503E503-G505 VanDerWaalsContact C-N 3.28Å; E503-G505 PolarHBondContact O-N 2.84Å
506K88.3Confident93.2Very high178 Ų17860.9 Ų60.977%0.77431%0.311SS*.  trans-132.5149.5175.4-67.5-179-178.2177.10109.7W477W477-K506 WeakPolarHBondContact CB-O 3.37Å
507P91.2Very high93.5Very high35 Ų3558.8 Ų58.823%0.22730%0.297CS..PPolyproline II helixtrans-61.8147.9168.327.3-33.9000110.2V88 P174 W477V88-P507 HydrophobicContact CG1-CB 4.32Å; P174-P507 HydrophobicContact CB-CB 4.06Å; P174-P507 HydrophobicContact CB-CG 4.16Å; P174-P507 HydrophobicContact CG-CB 4.29Å; P174-P507 HydrophobicContact CG-CG 3.97Å; W477-P507 HydrophobicContact CD2-CB 3.81Å; W477-P507 HydrophobicContact CD2-CG 4.42Å; W477-P507 HydrophobicContact CE3-CB 3.62Å; W477-P507 HydrophobicContact CG-CB 4.43Å; W477-P507 HydrophobicContact CH2-CB 4.25Å; W477-P507 HydrophobicContact CZ2-CB 4.4Å; W477-P507 HydrophobicContact CZ3-CB 3.86Å
508F94.8Very high93.8Very high18 Ų1852.9 Ų52.98%0.07926%0.261CS..PPolyproline II helixtrans-60.8150.2166.4-81.2-1.6000111.2V88 M94 E512 Q513 A516 E571 L574 H595V88-F508 HydrophobicContact CG1-CB 3.95Å; V88-F508 WeakPolarHBondContact CG1-O 3.29Å; V88-F508 WeakPolarHBondContact CG2-O 3.46Å; M94-F508 HydrophobicContact CE-CD2 3.44Å; M94-F508 VanDerWaalsContact CE-CD2 3.44Å; M94-F508 HydrophobicContact CE-CE2 3.72Å; M94-F508 HydrophobicContact SD-CD2 3.82Å; M94-F508 HydrophobicContact SD-CE2 4.06Å; F508-E512 HydrophobicContact CB-CB 4Å; F508-E512 HydrophobicContact CD2-CB 4.3Å; F508-E512 HydrophobicContact CG-CB 4.13Å; F508-Q513 HydrophobicContact CB-CB 4.37Å; F508-A516 HydrophobicContact CE2-CB 4.25Å; F508-E571 HydrophobicContact CE1-CG 3.65Å; F508-E571 HydrophobicContact CZ-CB 4.15Å; F508-E571 HydrophobicContact CZ-CG 3.72Å; F508-L574 HydrophobicContact CE2-CD2 4.21Å; F508-H595 PolarHBondContact O-CE1 3.02Å; F508-H595 VanDerWaalsContact O-CE1 3.23Å; F508-H595 PolarHBondContact O-NE2 3.46Å; F508-H595 VanDerWaalsContact O-NE2 3.16Å
509K95.2Very high93.9Very high90 Ų9050.6 Ų50.639%0.39125%0.249SC..PPolyproline II helixtrans-68.2157.9166-61.5-176.8-169.3146.40110.3F511 E512 Q513 N593K509-F511 VanDerWaalsContact C-N 3.29Å; K509-F511 PolarHBondContact O-N 2.85Å; K509-F511 VanDerWaalsContact O-N 3.17Å; K509-E512 HydrophobicContact CB-CB 4.46Å; K509-E512 HydrophobicContact CB-CG 4.07Å; K509-E512 WeakPolarHBondContact CD-OE1 3.05Å; K509-E512 WeakPolarHBondContact CG-OE1 3.36Å; K509-E512 PolarHBondContact N-OE2 3.35Å; K509-E512 IonicContact NZ-OE1 2.62Å; K509-E512 WeakPolarHBondContact O-CB 3Å; K509-E512 PolarHBondContact O-N 3.26Å; K509-Q513 PolarHBondContact O-N 3.01Å; K509-N593 WeakPolarHBondContact CB-OD1 3.26Å
510P96.4Very high94Very high1 Ų142.8 Ų42.81%0.00622%0.22CC..Hα-helixtrans-51.8-42.7-178.7-28.935.8000114.2V88 Q513 L514 N593V88-P510 HydrophobicContact CG2-CG 4.34Å; P510-Q513 PolarHBondContact O-N 2.78Å; P510-L514 WeakPolarHBondContact O-CG 3.38Å; P510-L514 PolarHBondContact O-N 2.9Å; P510-N593 WeakPolarHBondContact CD-OD1 3.42Å
511F97.4Very high94Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-74.8-30.2180-61-11000113.3G136 K509 L514 L515 P527 Y530 M578 L585 E589 R592 N593G136-F511 WeakPolarHBondContact O-CE1 3.39Å; K509-F511 VanDerWaalsContact C-N 3.29Å; K509-F511 PolarHBondContact O-N 2.85Å; K509-F511 VanDerWaalsContact O-N 3.17Å; F511-L514 HydrophobicContact CD1-CD1 4.05Å; F511-L514 PolarHBondContact O-N 3.19Å; F511-L515 PolarHBondContact O-N 3.37Å; F511-P527 HydrophobicContact CD1-CG 4.44Å; F511-P527 HydrophobicContact CD2-CG 3.84Å; F511-P527 HydrophobicContact CE1-CG 4.24Å; F511-P527 HydrophobicContact CE2-CG 3.59Å; F511-P527 HydrophobicContact CG-CG 4.26Å; F511-P527 HydrophobicContact CZ-CG 3.81Å; F511-Y530 HydrophobicContact CB-CE2 4.14Å; F511-Y530 AromaticContact CD2-CE2 3.85Å; F511-Y530 HydrophobicContact CD2-CE2 3.85Å; F511-Y530 HydrophobicContact CG-CE2 4.34Å; F511-M578 HydrophobicContact CB-CE 4.08Å; F511-L585 HydrophobicContact CD2-CD1 4.31Å; F511-L585 HydrophobicContact CD2-CD2 4.15Å; F511-L585 HydrophobicContact CE2-CD1 4.31Å; F511-L585 HydrophobicContact CE2-CD2 3.91Å; F511-E589 HydrophobicContact CE2-CB 3.94Å; F511-E589 VanDerWaalsContact CE2-O 3.23Å; F511-E589 WeakPolarHBondContact CE2-O 3.25Å; F511-E589 HydrophobicContact CZ-CB 4.04Å; F511-E589 WeakPolarHBondContact CZ-O 3.3Å; F511-R592 HydrophobicContact CE1-CB 4.48Å; F511-R592 HydrophobicContact CE1-CG 4.24Å; F511-R592 HydrophobicContact CZ-CB 4.22Å; F511-R592 HydrophobicContact CZ-CG 4.45Å; F511-N593 WeakPolarHBondContact CB-OD1 3.2Å; F511-N593 HydrophobicContact CD1-CB 4.45Å; F511-N593 HydrophobicContact CD2-CB 3.65Å; F511-N593 VanDerWaalsContact CD2-CG 3.4Å; F511-N593 HydrophobicContact CE1-CB 4.41Å; F511-N593 HydrophobicContact CE2-CB 3.62Å; F511-N593 HydrophobicContact CG-CB 4.09Å; F511-N593 VanDerWaalsContact CG-OD1 3.3Å; F511-N593 WeakPolarHBondContact CG-OD1 3.49Å; F511-N593 HydrophobicContact CZ-CB 4.02Å; F511-N593 PolarHBondContact N-OD1 3.23Å
512E96.6Very high94.2Very high24 Ų2436.1 Ų36.111%0.11220%0.196CC..Hα-helixtrans-65.3-44.2174.2-63.3162.4-170.300109.3F508 K509 A516 L575 M578F508-E512 HydrophobicContact CB-CB 4Å; F508-E512 HydrophobicContact CD2-CB 4.3Å; F508-E512 HydrophobicContact CG-CB 4.13Å; K509-E512 HydrophobicContact CB-CB 4.46Å; K509-E512 HydrophobicContact CB-CG 4.07Å; K509-E512 WeakPolarHBondContact CD-OE1 3.05Å; K509-E512 WeakPolarHBondContact CG-OE1 3.36Å; K509-E512 PolarHBondContact N-OE2 3.35Å; K509-E512 IonicContact NZ-OE1 2.62Å; K509-E512 WeakPolarHBondContact O-CB 3Å; K509-E512 PolarHBondContact O-N 3.26Å; E512-A516 WeakPolarHBondContact O-CB 3.18Å; E512-A516 PolarHBondContact O-N 2.87Å; E512-L575 HydrophobicContact CB-CD2 4.21Å; E512-L575 VanDerWaalsContact CD-CD2 3.47Å; E512-L575 HydrophobicContact CG-CD2 3.65Å; E512-M578 HydrophobicContact CB-SD 4.18Å; E512-M578 HydrophobicContact CG-CE 3.99Å; E512-M578 HydrophobicContact CG-SD 3.85Å
513Q96.4Very high94.3Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-63-46.1171.7169.1164.6-44.200112.4V88 M94 F508 K509 P510 L515 A516 V517V88-Q513 HydrophobicContact CG1-CB 4.2Å; V88-Q513 HydrophobicContact CG2-CB 4.37Å; M94-Q513 HydrophobicContact CE-CB 4.03Å; M94-Q513 HydrophobicContact CE-CG 3.96Å; F508-Q513 HydrophobicContact CB-CB 4.37Å; K509-Q513 PolarHBondContact O-N 3.01Å; P510-Q513 PolarHBondContact O-N 2.78Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; Q513-L515 PolarHBondContact O-N 2.71Å; Q513-A516 CarbonylContact O-C 3.57Å; Q513-A516 WeakPolarHBondContact O-CA 3.49Å; Q513-A516 WeakPolarHBondContact O-CB 3.07Å; Q513-A516 PolarHBondContact O-N 2.75Å; Q513-V517 HydrophobicContact CG-CG1 4.09Å; Q513-V517 HydrophobicContact CG-CG2 4.35Å; Q513-V517 WeakPolarHBondContact O-CG2 3.13Å; Q513-V517 PolarHBondContact O-N 3.26Å
514L96.9Very high94.4Very high0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-56.9-45.1-179.8-76.8174000111.7T134 P135 T137 P510 F511 A516 V517 L518 L526T134-L514 HydrophobicContact CG2-CD2 3.49Å; T134-L514 VanDerWaalsContact CG2-CD2 3.49Å; P135-L514 WeakPolarHBondContact O-CG 3.12Å; T137-L514 HydrophobicContact CG2-CD1 4.23Å; T137-L514 HydrophobicContact CG2-CD2 3.6Å; P510-L514 WeakPolarHBondContact O-CG 3.38Å; P510-L514 PolarHBondContact O-N 2.9Å; F511-L514 HydrophobicContact CD1-CD1 4.05Å; F511-L514 PolarHBondContact O-N 3.19Å; L514-A516 VanDerWaalsContact C-N 3.28Å; L514-A516 PolarHBondContact O-N 3.43Å; L514-V517 PolarHBondContact O-N 3.08Å; L514-L518 HydrophobicContact CB-CD1 4.18Å; L514-L518 HydrophobicContact CD2-CD1 3.81Å; L514-L518 HydrophobicContact CD2-CG 4.24Å; L514-L518 VanDerWaalsContact O-CB 3.24Å; L514-L518 WeakPolarHBondContact O-CB 3.23Å; L514-L518 VanDerWaalsContact O-CG 3.26Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 PolarHBondContact O-N 2.96Å; L514-L526 HydrophobicContact CB-CD2 3.42Å; L514-L526 VanDerWaalsContact CB-CD2 3.42Å; L514-L526 HydrophobicContact CB-CG 4.16Å; L514-L526 HydrophobicContact CD1-CD2 4.07Å; L514-L526 HydrophobicContact CG-CD2 4.41Å
515L96.1Very high94.7Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-64.6-37.9176.6-165.762.5000110.7F511 Q513 V517 L526 L533 M534 I541 Y545 L574 M578F511-L515 PolarHBondContact O-N 3.37Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; Q513-L515 PolarHBondContact O-N 2.71Å; L515-V517 PolarHBondContact O-N 2.69Å; L515-L526 HydrophobicContact CD1-CD1 3.8Å; L515-L533 HydrophobicContact CD2-CD1 4.04Å; L515-M534 HydrophobicContact CD1-CG 3.7Å; L515-M534 HydrophobicContact CD1-SD 4.16Å; L515-I541 HydrophobicContact CD2-CD1 3.93Å; L515-I541 HydrophobicContact CG-CD1 4.39Å; L515-Y545 WeakPolarHBondContact CD1-OH 3.48Å; L515-Y545 VanDerWaalsContact CG-OH 3.29Å; L515-Y545 WeakPolarHBondContact CG-OH 3.46Å; L515-Y545 PolarHBondContact O-OH 3.43Å; L515-L574 HydrophobicContact CB-CD1 4.35Å; L515-L574 HydrophobicContact CD2-CD1 3.71Å; L515-L574 HydrophobicContact CG-CD1 3.86Å; L515-M578 HydrophobicContact CB-SD 4.22Å; L515-M578 HydrophobicContact CD2-CE 4.4Å; L515-M578 HydrophobicContact CD2-CG 3.39Å; L515-M578 HydrophobicContact CD2-SD 3.59Å; L515-M578 VanDerWaalsContact CD2-SD 3.59Å
516A96.3Very high95Very high8 Ų832.2 Ų32.27%0.06617%0.167CC..Hα-helixtrans-69.1-27.6177.900000115M94 R98 F508 E512 Q513 L514 I569 L574M94-A516 HydrophobicContact CE-CB 3.37Å; R98-A516 WeakPolarHBondContact CD-O 3.39Å; F508-A516 HydrophobicContact CE2-CB 4.25Å; E512-A516 WeakPolarHBondContact O-CB 3.18Å; E512-A516 PolarHBondContact O-N 2.87Å; Q513-A516 CarbonylContact O-C 3.57Å; Q513-A516 WeakPolarHBondContact O-CA 3.49Å; Q513-A516 WeakPolarHBondContact O-CB 3.07Å; Q513-A516 PolarHBondContact O-N 2.75Å; L514-A516 VanDerWaalsContact C-N 3.28Å; L514-A516 PolarHBondContact O-N 3.43Å; A516-I569 VanDerWaalsContact CA-CD1 3.49Å; A516-I569 HydrophobicContact CB-CD1 4.02Å; A516-I569 WeakPolarHBondContact O-CD1 3.33Å; A516-L574 HydrophobicContact CB-CD2 3.95Å
517V96.6Very high95.4Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-108.5-26.4-173.2-56.20000114.8M94 Q97 R98 R101 T134 Q513 L514 L515M94-V517 HydrophobicContact CB-CG1 4.3Å; M94-V517 HydrophobicContact CE-CG1 4.06Å; Q97-V517 HydrophobicContact CB-CG1 4.44Å; R98-V517 WeakPolarHBondContact CA-O 3.5Å; R98-V517 HydrophobicContact CB-CB 4.37Å; R101-V517 WeakPolarHBondContact CB-O 3.42Å; T134-V517 HydrophobicContact CG2-CG2 3.89Å; Q513-V517 HydrophobicContact CG-CG1 4.09Å; Q513-V517 HydrophobicContact CG-CG2 4.35Å; Q513-V517 WeakPolarHBondContact O-CG2 3.13Å; Q513-V517 PolarHBondContact O-N 3.26Å; L514-V517 PolarHBondContact O-N 3.08Å; L515-V517 PolarHBondContact O-N 2.69Å
518L96.8Very high95.6Very high0 Ų027.1 Ų27.10%015%0.15CC..  trans-82.2142.7-173.7-67.7-179.7000112.7N131 L514 L525 L526 M534 Y545N131-L518 HydrophobicContact CB-CD2 3.82Å; L514-L518 HydrophobicContact CB-CD1 4.18Å; L514-L518 HydrophobicContact CD2-CD1 3.81Å; L514-L518 HydrophobicContact CD2-CG 4.24Å; L514-L518 VanDerWaalsContact O-CB 3.24Å; L514-L518 WeakPolarHBondContact O-CB 3.23Å; L514-L518 VanDerWaalsContact O-CG 3.26Å; L514-L518 WeakPolarHBondContact O-CG 3.49Å; L514-L518 PolarHBondContact O-N 2.96Å; L518-L525 HydrophobicContact CD1-CB 3.93Å; L518-L525 HydrophobicContact CD1-CD1 4.3Å; L518-L525 HydrophobicContact CD2-CD1 4.3Å; L518-L526 HydrophobicContact CD1-CD1 4.41Å; L518-L526 HydrophobicContact CD1-CG 4.19Å; L518-M534 HydrophobicContact CB-CE 4.15Å; L518-M534 WeakPolarHBondContact O-CE 3.4Å; L518-Y545 WeakPolarHBondContact O-CE1 3.46Å
519P95.8Very high95.5Very high5 Ų527.4 Ų27.43%0.03215%0.154CC..  trans-77.1160.7166.133.1-35.3000111.5F102 A105 A521 S522 M534F102-P519 HydrophobicContact CD1-CB 4Å; F102-P519 HydrophobicContact CD2-CB 3.86Å; F102-P519 HydrophobicContact CE1-CB 4.04Å; F102-P519 HydrophobicContact CE2-CB 3.91Å; F102-P519 HydrophobicContact CG-CB 3.93Å; F102-P519 HydrophobicContact CZ-CB 4.01Å; A105-P519 HydrophobicContact CB-CB 4.36Å; A105-P519 HydrophobicContact CB-CG 3.62Å; P519-A521 PolarHBondContact O-N 2.72Å; P519-S522 PolarHBondContact O-N 2.92Å; P519-M534 VanDerWaalsContact O-CE 3.27Å; P519-M534 WeakPolarHBondContact O-CE 3.32Å
520S94.3Very high95.6Very high36 Ų3623.1 Ų23.125%0.25214%0.136SC..G310 helixtrans-59.5-27.2177.855.70000113.4S522 K523S520-S522 PolarHBondContact O-N 3.37Å; S520-K523 VanDerWaalsContact O-CB 3.3Å; S520-K523 WeakPolarHBondContact O-CB 3.31Å; S520-K523 WeakPolarHBondContact O-CG 3.44Å; S520-K523 PolarHBondContact O-N 3.05Å
521A92.9Very high95.6Very high44 Ų4424.8 Ų24.836%0.36414%0.143SC..G310 helixtrans-58.1-34.2172.300000113.1A105 E109 P519A105-A521 HydrophobicContact CB-CB 3.99Å; E109-A521 VanDerWaalsContact OE1-CB 3.3Å; E109-A521 WeakPolarHBondContact OE1-CB 3.36Å; P519-A521 PolarHBondContact O-N 2.72Å
522S95Very high95.4Very high3 Ų329 Ų292%0.02116%0.163CC..G310 helixtrans-98.818.2-179.6-65.90000113.1D129 N131 P519 S520 N524 L525D129-S522 WeakPolarHBondContact OD2-CB 3.46Å; D129-S522 PolarHBondContact OD2-OG 3.43Å; N131-S522 PolarHBondContact ND2-OG 2.99Å; P519-S522 PolarHBondContact O-N 2.92Å; S520-S522 PolarHBondContact O-N 3.37Å; S522-N524 PolarHBondContact O-N 2.68Å; S522-L525 WeakPolarHBondContact O-CB 3.1Å; S522-L525 WeakPolarHBondContact O-CG 3.41Å; S522-L525 PolarHBondContact O-N 2.97Å
523K94.6Very high95.4Very high68 Ų6828 Ų2830%0.29616%0.159SC..G310 helixtrans-55.3-26.1-17870.1-174-177.2-176.80114.3S520 L525 L526 Q531 M534 T535S520-K523 VanDerWaalsContact O-CB 3.3Å; S520-K523 WeakPolarHBondContact O-CB 3.31Å; S520-K523 WeakPolarHBondContact O-CG 3.44Å; S520-K523 PolarHBondContact O-N 3.05Å; K523-L525 PolarHBondContact O-N 2.92Å; K523-L525 VanDerWaalsContact O-N 3.16Å; K523-L526 WeakPolarHBondContact O-CB 3.47Å; K523-L526 PolarHBondContact O-N 3.42Å; K523-Q531 HydrophobicContact CB-CB 4.47Å; K523-Q531 HydrophobicContact CB-CG 4.42Å; K523-Q531 WeakPolarHBondContact O-CG 3.4Å; K523-Q531 PolarHBondContact O-NE2 2.93Å; K523-M534 HydrophobicContact CB-SD 3.74Å; K523-T535 HydrophobicContact CD-CG2 3.72Å
524N94.3Very high95.4Very high125 Ų12528.1 Ų28.167%0.66816%0.159SC*.G310 helixtrans-64.9-17.4-179.9-65-26.6000113.1S522 L526S522-N524 PolarHBondContact O-N 2.68Å; N524-L526 VanDerWaalsContact C-N 3.29Å
525L94.9Very high95.3Very high37 Ų3731.4 Ų31.419%0.19418%0.179CC..G310 helixtrans-77.9-14.6175.4-57.7177.9000113.1N131 C132 T137 L518 S522 K523N131-L525 HydrophobicContact CB-CD1 3.99Å; C132-L525 HydrophobicContact CB-CD1 4.07Å; C132-L525 HydrophobicContact CB-CD2 3.7Å; T137-L525 HydrophobicContact CG2-CB 4.33Å; L518-L525 HydrophobicContact CD1-CB 3.93Å; L518-L525 HydrophobicContact CD1-CD1 4.3Å; L518-L525 HydrophobicContact CD2-CD1 4.3Å; S522-L525 WeakPolarHBondContact O-CB 3.1Å; S522-L525 WeakPolarHBondContact O-CG 3.41Å; S522-L525 PolarHBondContact O-N 2.97Å; K523-L525 PolarHBondContact O-N 2.92Å; K523-L525 VanDerWaalsContact O-N 3.16Å
526L94.8Very high95.2Very high5 Ų533.1 Ų33.13%0.02619%0.191CC..SBendtrans-92.6151.5175.3-80.6160.8000111.4L514 L515 L518 K523 N524 T528 Q531 M534L514-L526 HydrophobicContact CB-CD2 3.42Å; L514-L526 VanDerWaalsContact CB-CD2 3.42Å; L514-L526 HydrophobicContact CB-CG 4.16Å; L514-L526 HydrophobicContact CD1-CD2 4.07Å; L514-L526 HydrophobicContact CG-CD2 4.41Å; L515-L526 HydrophobicContact CD1-CD1 3.8Å; L518-L526 HydrophobicContact CD1-CD1 4.41Å; L518-L526 HydrophobicContact CD1-CG 4.19Å; K523-L526 WeakPolarHBondContact O-CB 3.47Å; K523-L526 PolarHBondContact O-N 3.42Å; N524-L526 VanDerWaalsContact C-N 3.29Å; L526-T528 PolarHBondContact O-N 3.43Å; L526-Q531 PolarHBondContact O-NE2 3.08Å; L526-M534 HydrophobicContact CD1-CE 4.29Å; L526-M534 HydrophobicContact CD1-SD 3.46Å; L526-M534 WeakPolarHBondContact CD1-SD 3.12Å
527P96Very high95Very high4 Ų441.2 Ų41.23%0.02623%0.227CC..  trans-49.1139167.4-26.833.5000112F511 C529 Y530 L585F511-P527 HydrophobicContact CD1-CG 4.44Å; F511-P527 HydrophobicContact CD2-CG 3.84Å; F511-P527 HydrophobicContact CE1-CG 4.24Å; F511-P527 HydrophobicContact CE2-CG 3.59Å; F511-P527 HydrophobicContact CG-CG 4.26Å; F511-P527 HydrophobicContact CZ-CG 3.81Å; P527-C529 PolarHBondContact O-N 3.34Å; P527-Y530 HydrophobicContact CB-CD2 3.9Å; P527-Y530 HydrophobicContact CB-CE2 4.15Å; P527-Y530 HydrophobicContact CG-CD2 3.97Å; P527-Y530 HydrophobicContact CG-CE2 4.02Å; P527-Y530 PolarHBondContact O-N 2.95Å; P527-L585 HydrophobicContact CB-CD2 3.88Å; P527-L585 HydrophobicContact CG-CD2 4.06Å
528T94.8Very high94.8Very high102 Ų10248.5 Ų48.563%0.62627%0.266SS*.Hα-helixtrans-54.2-32.3-173.7-48.90000113L526 Y530 Q531L526-T528 PolarHBondContact O-N 3.43Å; T528-Y530 VanDerWaalsContact C-N 3.27Å; T528-Y530 PolarHBondContact O-N 2.64Å; T528-Q531 PolarHBondContact O-N 3.37Å
529C94.2Very high94.7Very high24 Ų2448.9 Ų48.916%0.16227%0.269CS..Hα-helixtrans-63.1-26.7178.8620000113.9P527 H532P527-C529 PolarHBondContact O-N 3.34Å; C529-H532 PolarHBondContact O-CE1 3.37Å; C529-H532 PolarHBondContact O-ND1 3.2Å
530Y95.9Very high94.6Very high0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-94.6-15.5-179.7-56.9-58.6000114F511 P527 T528 H532 L533 M578 C581 N582 L585F511-Y530 HydrophobicContact CB-CE2 4.14Å; F511-Y530 AromaticContact CD2-CE2 3.85Å; F511-Y530 HydrophobicContact CD2-CE2 3.85Å; F511-Y530 HydrophobicContact CG-CE2 4.34Å; P527-Y530 HydrophobicContact CB-CD2 3.9Å; P527-Y530 HydrophobicContact CB-CE2 4.15Å; P527-Y530 HydrophobicContact CG-CD2 3.97Å; P527-Y530 HydrophobicContact CG-CE2 4.02Å; P527-Y530 PolarHBondContact O-N 2.95Å; T528-Y530 VanDerWaalsContact C-N 3.27Å; T528-Y530 PolarHBondContact O-N 2.64Å; Y530-H532 PolarHBondContact O-N 3.08Å; Y530-H532 VanDerWaalsContact O-N 3.16Å; Y530-L533 HydrophobicContact CD1-CD1 4.12Å; Y530-L533 VanDerWaalsContact O-CB 3.27Å; Y530-L533 WeakPolarHBondContact O-CB 3.35Å; Y530-L533 PolarHBondContact O-N 2.96Å; Y530-M578 HydrophobicContact CD1-CE 4.27Å; Y530-M578 HydrophobicContact CD1-CG 4.45Å; Y530-M578 HydrophobicContact CE1-CB 4.22Å; Y530-M578 HydrophobicContact CE1-CE 3.83Å; Y530-M578 HydrophobicContact CE1-CG 4.35Å; Y530-M578 HydrophobicContact CE2-CE 4.09Å; Y530-C581 HydrophobicContact CD1-CB 3.75Å; Y530-C581 HydrophobicContact CE1-CB 3.7Å; Y530-N582 PolarHBondContact OH-OD1 3.41Å; Y530-L585 HydrophobicContact CE2-CD2 3.76Å; Y530-L585 WeakPolarHBondContact OH-CD1 3.42Å
531Q96.1Very high94.7Very high36 Ų3650.4 Ų50.417%0.16828%0.278CS..Hα-helixtrans-60.2-34-170.5-63.3-177.43.100113K523 L526 T528 L533 M534K523-Q531 HydrophobicContact CB-CB 4.47Å; K523-Q531 HydrophobicContact CB-CG 4.42Å; K523-Q531 WeakPolarHBondContact O-CG 3.4Å; K523-Q531 PolarHBondContact O-NE2 2.93Å; L526-Q531 PolarHBondContact O-NE2 3.08Å; T528-Q531 PolarHBondContact O-N 3.37Å; Q531-L533 PolarHBondContact O-N 3.24Å; Q531-M534 PolarHBondContact O-N 3.42Å
532H95.1Very high94.9Very high88 Ų8851.1 Ų51.141%0.40728%0.275SS..G310 helixtrans-65.3-26.517873.8-81.6000112.9C529 Y530 M534 T535 S536 C581C529-H532 PolarHBondContact O-CE1 3.37Å; C529-H532 PolarHBondContact O-ND1 3.2Å; Y530-H532 PolarHBondContact O-N 3.08Å; Y530-H532 VanDerWaalsContact O-N 3.16Å; H532-M534 PolarHBondContact O-N 3.26Å; H532-T535 PolarHBondContact O-N 3.41Å; H532-S536 WeakPolarHBondContact O-CB 3.33Å; H532-S536 PolarHBondContact O-N 2.94Å; H532-C581 PolarHBondContact CE1-SG 2.8Å
533L95.8Very high94.9Very high4 Ų455.8 Ų55.82%0.02130%0.297CS..G310 helixtrans-64.5-22.8177.5-61.4175.7000112.5L515 Y530 Q531 S539 I541 M578L515-L533 HydrophobicContact CD2-CD1 4.04Å; Y530-L533 HydrophobicContact CD1-CD1 4.12Å; Y530-L533 VanDerWaalsContact O-CB 3.27Å; Y530-L533 WeakPolarHBondContact O-CB 3.35Å; Y530-L533 PolarHBondContact O-N 2.96Å; Q531-L533 PolarHBondContact O-N 3.24Å; L533-S539 WeakPolarHBondContact CA-OG 3.28Å; L533-S539 VanDerWaalsContact O-CB 3.29Å; L533-S539 WeakPolarHBondContact O-CB 3.4Å; L533-S539 PolarHBondContact O-OG 2.87Å; L533-I541 HydrophobicContact CB-CD1 4.09Å; L533-I541 HydrophobicContact CB-CG1 4.33Å; L533-M578 HydrophobicContact CD1-CG 4.48Å
534M95.5Very high94.9Very high2 Ų253 Ų531%0.0128%0.284CS..G310 helixtrans-92.4-13179.8-54.1177.187.400113.5L515 L518 P519 K523 L526 Q531 H532 Y545L515-M534 HydrophobicContact CD1-CG 3.7Å; L515-M534 HydrophobicContact CD1-SD 4.16Å; L518-M534 HydrophobicContact CB-CE 4.15Å; L518-M534 WeakPolarHBondContact O-CE 3.4Å; P519-M534 VanDerWaalsContact O-CE 3.27Å; P519-M534 WeakPolarHBondContact O-CE 3.32Å; K523-M534 HydrophobicContact CB-SD 3.74Å; L526-M534 HydrophobicContact CD1-CE 4.29Å; L526-M534 HydrophobicContact CD1-SD 3.46Å; L526-M534 WeakPolarHBondContact CD1-SD 3.12Å; Q531-M534 PolarHBondContact O-N 3.42Å; H532-M534 PolarHBondContact O-N 3.26Å; M534-Y545 HydrophobicContact CB-CD1 4.35Å; M534-Y545 HydrophobicContact CB-CD2 4.32Å; M534-Y545 HydrophobicContact CB-CE2 4.47Å; M534-Y545 HydrophobicContact CB-CG 4.25Å; M534-Y545 HydrophobicContact CE-CD1 3.71Å; M534-Y545 HydrophobicContact CE-CE1 3.42Å; M534-Y545 VanDerWaalsContact CE-CE1 3.42Å; M534-Y545 HydrophobicContact CG-CD1 4.34Å; M534-Y545 HydrophobicContact CG-CE1 4.02Å; M534-Y545 HydrophobicContact CG-CE2 4.24Å
535T94.7Very high95Very high68 Ų6847.4 Ų47.442%0.41725%0.254SS..THydrogen-bonded Turntrans-131-23.4-168.661.20000115K523 H532K523-T535 HydrophobicContact CD-CG2 3.72Å; H532-T535 PolarHBondContact O-N 3.41Å
536S94.3Very high95Very high36 Ų3647 Ų4725%0.25225%0.254SS..  trans-78133.91791780000110.3H532 D538 S539H532-S536 WeakPolarHBondContact O-CB 3.33Å; H532-S536 PolarHBondContact O-N 2.94Å; S536-D538 PolarHBondContact O-N 3.44Å; S536-D538 PolarHBondContact OG-N 2.95Å; S536-S539 WeakPolarHBondContact O-CB 3.4Å; S536-S539 PolarHBondContact O-N 2.91Å; S536-S539 VanDerWaalsContact O-N 3.09Å
537E92.3Very high94.6Very high178 Ų17853.2 Ų53.283%0.83229%0.294SS*.THydrogen-bonded Turntrans-64-25.2173.6-64-173.1170.800112.4S539E537-S539 PolarHBondContact O-N 3.31Å
538D92.8Very high94.3Very high153 Ų15358.4 Ų58.482%0.81832%0.322SS*.THydrogen-bonded Turntrans-78.9-3.7176.1-59.8-46.1000112.8S536S536-D538 PolarHBondContact O-N 3.44Å; S536-D538 PolarHBondContact OG-N 2.95Å
539S94.6Very high94.2Very high9 Ų954.3 Ų54.36%0.06330%0.295CS..  trans-68.9132.3-179.2173.40000111.1L533 S536 E537 I541 I542L533-S539 WeakPolarHBondContact CA-OG 3.28Å; L533-S539 VanDerWaalsContact O-CB 3.29Å; L533-S539 WeakPolarHBondContact O-CB 3.4Å; L533-S539 PolarHBondContact O-OG 2.87Å; S536-S539 WeakPolarHBondContact O-CB 3.4Å; S536-S539 PolarHBondContact O-N 2.91Å; S536-S539 VanDerWaalsContact O-N 3.09Å; E537-S539 PolarHBondContact O-N 3.31Å; S539-I541 PolarHBondContact O-N 3.25Å; S539-I541 WeakPolarHBondContact OG-CG1 3.23Å; S539-I541 PolarHBondContact OG-N 3.31Å; S539-I542 WeakPolarHBondContact O-CG2 3.29Å; S539-I542 PolarHBondContact O-N 3.06Å
540P94.4Very high94Very high73 Ų7361 Ų6147%0.47432%0.321SS..THydrogen-bonded Turntrans-66-917929.5-37.2000113.6R573 A577P540-R573 PolarHBondContact O-NH2 3.22Å; P540-A577 HydrophobicContact CG-CB 3.62Å
541I96.1Very high93.7Very high0 Ų064.7 Ų64.70%035%0.345CS..THydrogen-bonded Turntrans-124.615.1-176.960.1169.6000113L515 L533 S539 E543 Y544 Y545 L574 A577L515-I541 HydrophobicContact CD2-CD1 3.93Å; L515-I541 HydrophobicContact CG-CD1 4.39Å; L533-I541 HydrophobicContact CB-CD1 4.09Å; L533-I541 HydrophobicContact CB-CG1 4.33Å; S539-I541 PolarHBondContact O-N 3.25Å; S539-I541 WeakPolarHBondContact OG-CG1 3.23Å; S539-I541 PolarHBondContact OG-N 3.31Å; I541-E543 PolarHBondContact O-N 2.78Å; I541-Y544 HydrophobicContact CB-CD2 3.78Å; I541-Y544 HydrophobicContact CB-CE2 4.16Å; I541-Y544 HydrophobicContact CG2-CD2 4.08Å; I541-Y544 HydrophobicContact CG2-CE2 3.96Å; I541-Y544 WeakPolarHBondContact O-CB 3.48Å; I541-Y544 PolarHBondContact O-N 3.15Å; I541-Y544 VanDerWaalsContact O-N 3.1Å; I541-Y545 HydrophobicContact CD1-CE2 4.04Å; I541-Y545 HydrophobicContact CG1-CE2 4.14Å; I541-Y545 WeakPolarHBondContact O-CD2 3.44Å; I541-Y545 WeakPolarHBondContact O-CE2 3.27Å; I541-L574 HydrophobicContact CD1-CD1 3.85Å; I541-A577 HydrophobicContact CD1-CB 4.31Å; I541-A577 HydrophobicContact CG1-CB 4.46Å; I541-A577 HydrophobicContact CG2-CB 4.11Å
542I96Very high93.4Very high58 Ų5864.5 Ų64.530%0.29735%0.345SS..G310 helixtrans-59-32.4-177.1-172.256.5000113.2S539 Y544 Y545S539-I542 WeakPolarHBondContact O-CG2 3.29Å; S539-I542 PolarHBondContact O-N 3.06Å; I542-Y544 PolarHBondContact O-N 3.05Å; I542-Y544 VanDerWaalsContact O-N 3.1Å; I542-Y545 PolarHBondContact O-N 3.3Å
543E94.9Very high92.7Very high101 Ų10164 Ų6447%0.47234%0.344SS..G310 helixtrans-60.7-21.7178.768.9-174.3171.300113.6I541 Y545 R573I541-E543 PolarHBondContact O-N 2.78Å; E543-Y545 VanDerWaalsContact C-N 3.27Å; E543-Y545 PolarHBondContact O-N 2.81Å; E543-R573 IonicContact OE1-CZ 3.8Å; E543-R573 IonicContact OE1-NH1 3.9Å; E543-R573 PolarHBondContact OE1-NH1 3.27Å; E543-R573 IonicContact OE1-NH2 2.81Å; E543-R573 PolarHBondContact OE1-NH2 3.43Å
544Y95.9Very high92Very high10 Ų1065.6 Ų65.64%0.03935%0.353CS..G310 helixtrans-79.5-7.1176.9-58.1-32.9000113.3R98 I541 I542 P546 P567 F568 I569 D570 R573R98-Y544 PolarHBondContact NH2-O 3.13Å; I541-Y544 HydrophobicContact CB-CD2 3.78Å; I541-Y544 HydrophobicContact CB-CE2 4.16Å; I541-Y544 HydrophobicContact CG2-CD2 4.08Å; I541-Y544 HydrophobicContact CG2-CE2 3.96Å; I541-Y544 WeakPolarHBondContact O-CB 3.48Å; I541-Y544 PolarHBondContact O-N 3.15Å; I541-Y544 VanDerWaalsContact O-N 3.1Å; I542-Y544 PolarHBondContact O-N 3.05Å; I542-Y544 VanDerWaalsContact O-N 3.1Å; Y544-P546 VanDerWaalsContact O-CD 3.3Å; Y544-P546 WeakPolarHBondContact O-CD 3.31Å; Y544-P567 HydrophobicContact CD1-CB 4.16Å; Y544-F568 WeakPolarHBondContact CE1-O 3.13Å; Y544-I569 HydrophobicContact CD1-CG1 4.29Å; Y544-I569 HydrophobicContact CD2-CB 4.38Å; Y544-I569 HydrophobicContact CD2-CG1 3.77Å; Y544-I569 HydrophobicContact CD2-CG2 4.32Å; Y544-I569 HydrophobicContact CE2-CB 4.44Å; Y544-I569 HydrophobicContact CE2-CG1 4.31Å; Y544-I569 HydrophobicContact CE2-CG2 4.21Å; Y544-I569 HydrophobicContact CG-CG1 3.78Å; Y544-D570 VanDerWaalsContact OH-CB 3.26Å; Y544-D570 WeakPolarHBondContact OH-CB 3.5Å; Y544-D570 PolarHBondContact OH-N 2.87Å; Y544-R573 PolarHBondContact OH-NH1 3.4Å
545Y95.9Very high90.7Very high7 Ų768.7 Ų68.73%0.02739%0.385CS..SBendtrans-121.962.5-179.4-52.7-80.3000111.5F102 L515 L518 M534 I541 I542 E543F102-Y545 HydrophobicContact CZ-CD1 4.18Å; L515-Y545 WeakPolarHBondContact CD1-OH 3.48Å; L515-Y545 VanDerWaalsContact CG-OH 3.29Å; L515-Y545 WeakPolarHBondContact CG-OH 3.46Å; L515-Y545 PolarHBondContact O-OH 3.43Å; L518-Y545 WeakPolarHBondContact O-CE1 3.46Å; M534-Y545 HydrophobicContact CB-CD1 4.35Å; M534-Y545 HydrophobicContact CB-CD2 4.32Å; M534-Y545 HydrophobicContact CB-CE2 4.47Å; M534-Y545 HydrophobicContact CB-CG 4.25Å; M534-Y545 HydrophobicContact CE-CD1 3.71Å; M534-Y545 HydrophobicContact CE-CE1 3.42Å; M534-Y545 VanDerWaalsContact CE-CE1 3.42Å; M534-Y545 HydrophobicContact CG-CD1 4.34Å; M534-Y545 HydrophobicContact CG-CE1 4.02Å; M534-Y545 HydrophobicContact CG-CE2 4.24Å; I541-Y545 HydrophobicContact CD1-CE2 4.04Å; I541-Y545 HydrophobicContact CG1-CE2 4.14Å; I541-Y545 WeakPolarHBondContact O-CD2 3.44Å; I541-Y545 WeakPolarHBondContact O-CE2 3.27Å; I542-Y545 PolarHBondContact O-N 3.3Å; E543-Y545 VanDerWaalsContact C-N 3.27Å; E543-Y545 PolarHBondContact O-N 2.81Å
546P94.2Very high89.8Confident30 Ų3066.8 Ų66.820%0.19537%0.371CS..  trans-63.3134.5179.529.1-35.7000110.2Y544 D548 F549 I566Y544-P546 VanDerWaalsContact O-CD 3.3Å; Y544-P546 WeakPolarHBondContact O-CD 3.31Å; P546-D548 VanDerWaalsContact C-N 3.26Å; P546-D548 PolarHBondContact O-N 3.48Å; P546-F549 HydrophobicContact CG-CB 4.46Å; P546-I566 HydrophobicContact CG-CG2 4.16Å
547P86.8Confident88.8Confident134 Ų13471.9 Ų71.987%0.8739%0.391SS*.SBendtrans-68.9-27.4178.627.6-34.4000112.2
548D89.1Confident87.9Confident113 Ų11366.9 Ų66.960%0.60437%0.368SS*.SBendtrans-133144.4171.7-167.617.9000110.2K106 P546K106-D548 IonicContact NZ-OD1 2.66Å; K106-D548 PolarHBondContact NZ-OD1 3.11Å; P546-D548 VanDerWaalsContact C-N 3.26Å; P546-D548 PolarHBondContact O-N 3.48Å
549F92.9Very high87.1Confident17 Ų1766.9 Ų66.98%0.07536%0.363CS..  trans-142.7150.5-177.360.2-92.5000110.8F102 K106 P546 T551 V564 I566F102-F549 HydrophobicContact CB-CE1 3.95Å; F102-F549 HydrophobicContact CB-CZ 3.96Å; F102-F549 HydrophobicContact CD1-CD1 4.01Å; F102-F549 AromaticContact CD1-CE1 3.93Å; F102-F549 HydrophobicContact CD1-CE1 3.93Å; F102-F549 HydrophobicContact CG-CE1 4.46Å; K106-F549 HydrophobicContact CB-CE1 4.15Å; K106-F549 HydrophobicContact CB-CZ 3.95Å; K106-F549 HydrophobicContact CD-CD1 4.46Å; K106-F549 HydrophobicContact CD-CE1 3.74Å; K106-F549 HydrophobicContact CD-CE2 4.19Å; K106-F549 HydrophobicContact CD-CZ 3.58Å; K106-F549 HydrophobicContact CG-CZ 4.41Å; K106-F549 PolarHBondContact NZ-O 3.29Å; P546-F549 HydrophobicContact CG-CB 4.46Å; F549-T551 HydrophobicContact CD2-CG2 4.19Å; F549-T551 HydrophobicContact CE2-CG2 3.95Å; F549-V564 HydrophobicContact CD2-CG1 3.68Å; F549-V564 HydrophobicContact CE2-CG1 3.67Å; F549-I566 HydrophobicContact CB-CG2 3.81Å; F549-I566 HydrophobicContact CD1-CG2 4.48Å; F549-I566 HydrophobicContact CD2-CG2 4.46Å; F549-I566 HydrophobicContact CG-CG2 4.01Å
550K90.8Very high86.1Confident163 Ų16374.2 Ų74.271%0.70939%0.389SS*.EExtended strand (participates in β ladder)trans-86147.1179.3-66.2-178-178.3177.80110.8L565K550-L565 HydrophobicContact CB-CB 4.48Å; K550-L565 HydrophobicContact CB-CD1 4.2Å; K550-L565 WeakPolarHBondContact O-CB 3.38Å; K550-L565 PolarHBondContact O-N 3.37Å
551T89.8Confident85.3Confident79 Ų7972.8 Ų72.849%0.48538%0.376SS..EExtended strand (participates in β ladder)trans-121.2133.8171.552.80000109.6F549 V563 V564F549-T551 HydrophobicContact CD2-CG2 4.19Å; F549-T551 HydrophobicContact CE2-CG2 3.95Å; T551-V563 CarbonylContact C-O 3.55Å; T551-V563 VanDerWaalsContact CA-O 3.28Å; T551-V563 WeakPolarHBondContact CA-O 3.31Å; T551-V564 HydrophobicContact CG2-CG2 4.37Å
552D88.6Confident84.7Confident32 Ų3273 Ų7317%0.17138%0.378CS..EExtended strand (participates in β ladder)trans-114.5120.6176.8179.316.9000110.5K441 Y485 N554 A562 V563K441-D552 VanDerWaalsContact NZ-CG 3.34Å; K441-D552 IonicContact NZ-OD1 2.69Å; K441-D552 PolarHBondContact NZ-OD1 3.23Å; K441-D552 IonicContact NZ-OD2 3.69Å; K441-D552 PolarHBondContact NZ-OD2 3.15Å; Y485-D552 WeakPolarHBondContact CE1-OD2 3.33Å; Y485-D552 PolarHBondContact OH-OD2 2.77Å; D552-N554 PolarHBondContact O-N 2.65Å; D552-N554 PolarHBondContact OD1-N 2.82Å; D552-A562 CarbonylContact O-C 3.58Å; D552-A562 VanDerWaalsContact O-CA 3.32Å; D552-A562 WeakPolarHBondContact O-CA 3.43Å; D552-A562 WeakPolarHBondContact O-CB 3.25Å; D552-V563 HydrophobicContact CB-CB 4.47Å; D552-V563 PolarHBondContact N-O 3.24Å; D552-V563 PolarHBondContact O-N 3.48Å
553L81.4Confident84.3Confident76 Ų7671.7 Ų71.740%0.39837%0.373SS..  trans-65.4-26.9177.7-76.2168.1000112.3G555 K556 A562L553-G555 VanDerWaalsContact C-N 3.27Å; L553-G555 PolarHBondContact O-N 3.08Å; L553-G555 VanDerWaalsContact O-N 3.12Å; L553-K556 WeakPolarHBondContact O-CA 3.13Å; L553-K556 WeakPolarHBondContact O-CB 3.45Å; L553-K556 VanDerWaalsContact O-CG 3.24Å; L553-K556 WeakPolarHBondContact O-CG 3.26Å; L553-K556 PolarHBondContact O-N 3.12Å; L553-A562 HydrophobicContact CD2-CB 4.13Å
554N81.4Confident84.2Confident38 Ų3867.6 Ų67.620%0.20335%0.354CS..THydrogen-bonded Turntrans43.448.3176.9-164.742.1000114.2Y485 D552 K556 V563Y485-N554 HydrophobicContact CE1-CB 4.41Å; D552-N554 PolarHBondContact O-N 2.65Å; D552-N554 PolarHBondContact OD1-N 2.82Å; N554-K556 VanDerWaalsContact C-N 3.31Å; N554-K556 PolarHBondContact O-N 3.43Å; N554-V563 HydrophobicContact CB-CG2 4.25Å
555G68.8Low84Confident67 Ų6769.8 Ų69.869%0.69137%0.367SS*.THydrogen-bonded Turntrans811.5-179.700000115.6L553L553-G555 VanDerWaalsContact C-N 3.27Å; L553-G555 PolarHBondContact O-N 3.08Å; L553-G555 VanDerWaalsContact O-N 3.12Å
556K75.5Confident83.9Confident29 Ų2970 Ų7013%0.12637%0.368CS..  trans-83.7150.6172.9-54.3-62.7-174.2178.70111.4H296 H301 L553 N554 E561H296-K556 PolarHBondContact CD2-NZ 2.88Å; H301-K556 PolarHBondContact CE1-NZ 3.42Å; H301-K556 PolarHBondContact ND1-NZ 2.86Å; H301-K556 VanDerWaalsContact ND1-NZ 3.12Å; H301-K556 PolarHBondContact NE2-NZ 3.25Å; L553-K556 WeakPolarHBondContact O-CA 3.13Å; L553-K556 WeakPolarHBondContact O-CB 3.45Å; L553-K556 VanDerWaalsContact O-CG 3.24Å; L553-K556 WeakPolarHBondContact O-CG 3.26Å; L553-K556 PolarHBondContact O-N 3.12Å; N554-K556 VanDerWaalsContact C-N 3.31Å; N554-K556 PolarHBondContact O-N 3.43Å; K556-E561 HydrophobicContact CB-CB 3.7Å; K556-E561 HydrophobicContact CD-CB 4.29Å; K556-E561 HydrophobicContact CG-CB 3.78Å
557Q71.6Confident83.9Confident142 Ų14271.2 Ų71.266%0.66438%0.376SS*.SBendtrans-88.8-22.1-177.8-69.5-178.2-16.900113
558Q75.1Confident84.3Confident74 Ų7467.2 Ų67.235%0.34635%0.345SS..SBendtrans-116.5135.5-170.2-55.9-66-19.400110.2W560 E561Q558-W560 HydrophobicContact CB-CD2 3.66Å; Q558-W560 HydrophobicContact CB-CE3 3.98Å; Q558-W560 HydrophobicContact CB-CG 4.29Å; Q558-W560 HydrophobicContact CB-CH2 3.82Å; Q558-W560 HydrophobicContact CB-CZ2 3.48Å; Q558-W560 VanDerWaalsContact CB-CZ2 3.48Å; Q558-W560 HydrophobicContact CB-CZ3 4.04Å; Q558-W560 HydrophobicContact CG-CD2 4.46Å; Q558-W560 HydrophobicContact CG-CH2 3.63Å; Q558-W560 HydrophobicContact CG-CZ2 3.32Å; Q558-W560 HydrophobicContact CG-CZ3 4.31Å; Q558-W560 PolarHBondContact O-N 3.36Å; Q558-W560 VanDerWaalsContact OE1-CZ3 3.27Å; Q558-E561 HydrophobicContact CB-CG 4.26Å; Q558-E561 WeakPolarHBondContact O-CB 3.44Å; Q558-E561 PolarHBondContact O-N 3.48Å
559E74.3Confident84.5Confident153 Ų15362.4 Ų62.472%0.71532%0.319SS*.G310 helixtrans-60.6-31-177.7-67.6-179.4170.600112.7E561 A562E559-E561 PolarHBondContact O-N 2.97Å; E559-A562 WeakPolarHBondContact O-CB 3.29Å; E559-A562 PolarHBondContact O-N 3.49Å
560W74.6Confident84.6Confident162 Ų16264.8 Ų64.861%0.61433%0.333SS*.G310 helixtrans-69.7-11.2176.164.375.3000113.8R103 Q558R103-W560 VanDerWaalsContact CZ-O 3.32Å; R103-W560 VanDerWaalsContact NH1-C 3.29Å; R103-W560 VanDerWaalsContact NH1-CA 3.32Å; R103-W560 PolarHBondContact NH1-O 2.83Å; R103-W560 PolarHBondContact NH2-O 3.29Å; Q558-W560 HydrophobicContact CB-CD2 3.66Å; Q558-W560 HydrophobicContact CB-CE3 3.98Å; Q558-W560 HydrophobicContact CB-CG 4.29Å; Q558-W560 HydrophobicContact CB-CH2 3.82Å; Q558-W560 HydrophobicContact CB-CZ2 3.48Å; Q558-W560 VanDerWaalsContact CB-CZ2 3.48Å; Q558-W560 HydrophobicContact CB-CZ3 4.04Å; Q558-W560 HydrophobicContact CG-CD2 4.46Å; Q558-W560 HydrophobicContact CG-CH2 3.63Å; Q558-W560 HydrophobicContact CG-CZ2 3.32Å; Q558-W560 HydrophobicContact CG-CZ3 4.31Å; Q558-W560 PolarHBondContact O-N 3.36Å; Q558-W560 VanDerWaalsContact OE1-CZ3 3.27Å
561E77.1Confident84.7Confident44 Ų4459.3 Ų59.321%0.20631%0.31CS..G310 helixtrans-95.3-3.2172.6-58.9-178.5130.800112.2P4 K556 Q558 E559P4-E561 VanDerWaalsContact CB-OE1 3.26Å; P4-E561 WeakPolarHBondContact CB-OE1 3.34Å; K556-E561 HydrophobicContact CB-CB 3.7Å; K556-E561 HydrophobicContact CD-CB 4.29Å; K556-E561 HydrophobicContact CG-CB 3.78Å; Q558-E561 HydrophobicContact CB-CG 4.26Å; Q558-E561 WeakPolarHBondContact O-CB 3.44Å; Q558-E561 PolarHBondContact O-N 3.48Å; E559-E561 PolarHBondContact O-N 2.97Å
562A84.6Confident84.9Confident5 Ų559.6 Ų59.64%0.04131%0.311CS..SBendtrans-67.7142.5-17700000112.7R103 D552 L553 E559 V564R103-A562 PolarHBondContact NH2-O 2.89Å; D552-A562 CarbonylContact O-C 3.58Å; D552-A562 VanDerWaalsContact O-CA 3.32Å; D552-A562 WeakPolarHBondContact O-CA 3.43Å; D552-A562 WeakPolarHBondContact O-CB 3.25Å; L553-A562 HydrophobicContact CD2-CB 4.13Å; E559-A562 WeakPolarHBondContact O-CB 3.29Å; E559-A562 PolarHBondContact O-N 3.49Å; A562-V564 PolarHBondContact O-N 3.29Å
563V87.4Confident85.2Confident30 Ų3062.5 Ų62.518%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-67.7124.1172.4-1750000109.1H484 Y485 T551 D552 N554 L565H484-V563 HydrophobicContact CB-CG1 3.93Å; Y485-V563 HydrophobicContact CE1-CB 4.42Å; Y485-V563 HydrophobicContact CE1-CG1 4.37Å; Y485-V563 HydrophobicContact CE1-CG2 4.13Å; T551-V563 CarbonylContact C-O 3.55Å; T551-V563 VanDerWaalsContact CA-O 3.28Å; T551-V563 WeakPolarHBondContact CA-O 3.31Å; D552-V563 HydrophobicContact CB-CB 4.47Å; D552-V563 PolarHBondContact N-O 3.24Å; D552-V563 PolarHBondContact O-N 3.48Å; N554-V563 HydrophobicContact CB-CG2 4.25Å; V563-L565 HydrophobicContact CG1-CD2 3.81Å
564V91.5Very high85.9Confident14 Ų1458.9 Ų58.99%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-92.6111.8178.7178.40000108.8F549 T551 A562 I566F549-V564 HydrophobicContact CD2-CG1 3.68Å; F549-V564 HydrophobicContact CE2-CG1 3.67Å; T551-V564 HydrophobicContact CG2-CG2 4.37Å; A562-V564 PolarHBondContact O-N 3.29Å; V564-I566 HydrophobicContact CG1-CD1 4.4Å; V564-I566 HydrophobicContact CG1-CG1 4.35Å; V564-I566 HydrophobicContact CG1-CG2 4.02Å; V564-I566 PolarHBondContact O-N 2.98Å
565L92.9Very high86.6Confident57 Ų5759.7 Ų59.730%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-89.385.3-174.2-57.9177.7000110.5H484 Y485 K550 V563H484-L565 HydrophobicContact CB-CD2 3.97Å; Y485-L565 HydrophobicContact CE2-CD2 4.08Å; K550-L565 HydrophobicContact CB-CB 4.48Å; K550-L565 HydrophobicContact CB-CD1 4.2Å; K550-L565 WeakPolarHBondContact O-CB 3.38Å; K550-L565 PolarHBondContact O-N 3.37Å; V563-L565 HydrophobicContact CG1-CD2 3.81Å
566I93.7Very high87.9Confident10 Ų1062.5 Ų62.55%0.05130%0.3CS..  trans-120.9148.6173.557178.9000110.8R98 F102 H484 P546 F549 V564R98-I566 HydrophobicContact CB-CD1 4.43Å; R98-I566 HydrophobicContact CG-CD1 3.68Å; F102-I566 HydrophobicContact CD1-CG2 4.23Å; F102-I566 HydrophobicContact CD2-CD1 4.05Å; F102-I566 HydrophobicContact CE2-CD1 4.34Å; F102-I566 HydrophobicContact CG-CD1 4.21Å; H484-I566 PolarHBondContact NE2-O 3.45Å; P546-I566 HydrophobicContact CG-CG2 4.16Å; F549-I566 HydrophobicContact CB-CG2 3.81Å; F549-I566 HydrophobicContact CD1-CG2 4.48Å; F549-I566 HydrophobicContact CD2-CG2 4.46Å; F549-I566 HydrophobicContact CG-CG2 4.01Å; V564-I566 HydrophobicContact CG1-CD1 4.4Å; V564-I566 HydrophobicContact CG1-CG1 4.35Å; V564-I566 HydrophobicContact CG1-CG2 4.02Å; V564-I566 PolarHBondContact O-N 2.98Å
567P93.9Very high88.8Confident57 Ų5761.4 Ų61.437%0.3730%0.296SS..PPolyproline II helixtrans-65.4135-177.6-2133.6000111.8R98 Y544R98-P567 VanDerWaalsContact CZ-O 3.29Å; R98-P567 PolarHBondContact NH1-O 3.27Å; R98-P567 PolarHBondContact NH2-O 3.4Å; Y544-P567 HydrophobicContact CD1-CB 4.16Å
568F94.6Very high89.9Confident50 Ų5054.8 Ų54.822%0.21927%0.265CS..PPolyproline II helixtrans-66138.8175.2-63.3-69.7000111.3N95 Y480 P482 H484 Y544N95-F568 HydrophobicContact CB-CD1 4.47Å; N95-F568 HydrophobicContact CB-CE1 4.24Å; Y480-F568 HydrophobicContact CE2-CB 4.24Å; Y480-F568 HydrophobicContact CE2-CD1 4.18Å; Y480-F568 HydrophobicContact CE2-CG 4.13Å; P482-F568 WeakPolarHBondContact O-CE2 3.41Å; H484-F568 AromaticContact CD2-CZ 3.69Å; H484-F568 AromaticContact CE1-CE2 3.35Å; H484-F568 WeakPolarHBondContact CE1-CE2 3.49Å; H484-F568 AromaticContact CE1-CZ 3.68Å; H484-F568 AromaticContact CG-CZ 3.94Å; H484-F568 AromaticContact ND1-CE2 3.68Å; H484-F568 AromaticContact ND1-CZ 3.95Å; H484-F568 AromaticContact NE2-CE2 3.66Å; H484-F568 AromaticContact NE2-CZ 3.51Å; Y544-F568 WeakPolarHBondContact CE1-O 3.13Å
569I94.3Very high90.8Very high12 Ų1257.2 Ų57.26%0.06228%0.277CS..PPolyproline II helixtrans-77.8132.4-179.4-72.9170.9000109.9R91 A516 Y544 L574R91-I569 PolarHBondContact NH2-O 3.02Å; A516-I569 VanDerWaalsContact CA-CD1 3.49Å; A516-I569 HydrophobicContact CB-CD1 4.02Å; A516-I569 WeakPolarHBondContact O-CD1 3.33Å; Y544-I569 HydrophobicContact CD1-CG1 4.29Å; Y544-I569 HydrophobicContact CD2-CB 4.38Å; Y544-I569 HydrophobicContact CD2-CG1 3.77Å; Y544-I569 HydrophobicContact CD2-CG2 4.32Å; Y544-I569 HydrophobicContact CE2-CB 4.44Å; Y544-I569 HydrophobicContact CE2-CG1 4.31Å; Y544-I569 HydrophobicContact CE2-CG2 4.21Å; Y544-I569 HydrophobicContact CG-CG1 3.78Å; I569-L574 HydrophobicContact CG2-CB 3.9Å; I569-L574 HydrophobicContact CG2-CD1 4.29Å; I569-L574 HydrophobicContact CG2-CD2 4.07Å; I569-L574 HydrophobicContact CG2-CG 4.31Å
570D94.6Very high91.6Very high66 Ų6654.2 Ų54.235%0.35327%0.269SS..PPolyproline II helixtrans-79.6120.9163.8-173.8-78.5000109.8Y544 T572 R573 L574Y544-D570 VanDerWaalsContact OH-CB 3.26Å; Y544-D570 WeakPolarHBondContact OH-CB 3.5Å; Y544-D570 PolarHBondContact OH-N 2.87Å; D570-T572 PolarHBondContact O-N 3.22Å; D570-T572 WeakPolarHBondContact OD1-CA 3.45Å; D570-T572 WeakPolarHBondContact OD1-CB 3.31Å; D570-T572 PolarHBondContact OD1-N 3.25Å; D570-R573 HydrophobicContact CB-CB 4.17Å; D570-R573 HydrophobicContact CB-CG 4.26Å; D570-R573 PolarHBondContact OD1-N 3.49Å; D570-L574 WeakPolarHBondContact O-CB 3.37Å; D570-L574 PolarHBondContact O-N 3.21Å
571E93.1Very high92.5Very high49 Ų4947 Ų4723%0.22924%0.243CC..Hα-helixtrans-61.9-42.1-177.2170.1172.917300112.4R91 F508 L574 L575R91-E571 IonicContact CZ-OE2 2.87Å; R91-E571 IonicContact NH1-OE2 2.87Å; R91-E571 PolarHBondContact NH1-OE2 3.44Å; F508-E571 HydrophobicContact CE1-CG 3.65Å; F508-E571 HydrophobicContact CZ-CB 4.15Å; F508-E571 HydrophobicContact CZ-CG 3.72Å; E571-L574 PolarHBondContact O-N 3.28Å; E571-L575 HydrophobicContact CG-CD1 4.01Å; E571-L575 VanDerWaalsContact O-CG 3.27Å; E571-L575 WeakPolarHBondContact O-CG 3.44Å; E571-L575 PolarHBondContact O-N 3.07Å
572T94.1Very high93.1Very high84 Ų8446.2 Ų46.252%0.51524%0.24SC..Hα-helixtrans-65.9-48.2-177.4-47.40000110.1D570 L574 L575 E576D570-T572 PolarHBondContact O-N 3.22Å; D570-T572 WeakPolarHBondContact OD1-CA 3.45Å; D570-T572 WeakPolarHBondContact OD1-CB 3.31Å; D570-T572 PolarHBondContact OD1-N 3.25Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 3.39Å; T572-L575 PolarHBondContact O-N 2.74Å; T572-E576 WeakPolarHBondContact O-CB 3.3Å; T572-E576 WeakPolarHBondContact O-CG 3.39Å; T572-E576 PolarHBondContact O-N 3.26Å
573R95.6Very high93.4Very high93 Ų9352.5 Ų52.535%0.35127%0.269SS..Hα-helixtrans-63.1-38.3178.8-69.817960.5-161.1-5.9112.6P540 E543 Y544 D570 A577P540-R573 PolarHBondContact O-NH2 3.22Å; E543-R573 IonicContact OE1-CZ 3.8Å; E543-R573 IonicContact OE1-NH1 3.9Å; E543-R573 PolarHBondContact OE1-NH1 3.27Å; E543-R573 IonicContact OE1-NH2 2.81Å; E543-R573 PolarHBondContact OE1-NH2 3.43Å; Y544-R573 PolarHBondContact OH-NH1 3.4Å; D570-R573 HydrophobicContact CB-CB 4.17Å; D570-R573 HydrophobicContact CB-CG 4.26Å; D570-R573 PolarHBondContact OD1-N 3.49Å; R573-A577 WeakPolarHBondContact O-CB 3.44Å; R573-A577 PolarHBondContact O-N 3.35Å; R573-A577 VanDerWaalsContact O-N 3.11Å
574L95.3Very high93.7Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-61.3-50.7176.2-176.176.4000111F508 L515 A516 I541 I569 D570 E571 T572 A577 M578F508-L574 HydrophobicContact CE2-CD2 4.21Å; L515-L574 HydrophobicContact CB-CD1 4.35Å; L515-L574 HydrophobicContact CD2-CD1 3.71Å; L515-L574 HydrophobicContact CG-CD1 3.86Å; A516-L574 HydrophobicContact CB-CD2 3.95Å; I541-L574 HydrophobicContact CD1-CD1 3.85Å; I569-L574 HydrophobicContact CG2-CB 3.9Å; I569-L574 HydrophobicContact CG2-CD1 4.29Å; I569-L574 HydrophobicContact CG2-CD2 4.07Å; I569-L574 HydrophobicContact CG2-CG 4.31Å; D570-L574 WeakPolarHBondContact O-CB 3.37Å; D570-L574 PolarHBondContact O-N 3.21Å; E571-L574 PolarHBondContact O-N 3.28Å; T572-L574 VanDerWaalsContact C-N 3.33Å; T572-L574 PolarHBondContact O-N 3.39Å; L574-A577 PolarHBondContact O-N 3.5Å; L574-M578 HydrophobicContact CG-SD 4.46Å; L574-M578 WeakPolarHBondContact O-CG 3.27Å; L574-M578 PolarHBondContact O-N 3.39Å
575L95.3Very high93.8Very high56 Ų5654.4 Ų54.429%0.29328%0.283SS..Hα-helixtrans-67.1-40.5-176.6-65.9176.2000112E512 E571 T572 A577 M578 E579E512-L575 HydrophobicContact CB-CD2 4.21Å; E512-L575 VanDerWaalsContact CD-CD2 3.47Å; E512-L575 HydrophobicContact CG-CD2 3.65Å; E571-L575 HydrophobicContact CG-CD1 4.01Å; E571-L575 VanDerWaalsContact O-CG 3.27Å; E571-L575 WeakPolarHBondContact O-CG 3.44Å; E571-L575 PolarHBondContact O-N 3.07Å; T572-L575 PolarHBondContact O-N 2.74Å; L575-A577 PolarHBondContact O-N 2.91Å; L575-M578 PolarHBondContact O-N 3.08Å; L575-E579 PolarHBondContact O-N 3.01Å
576E96.1Very high93.9Very high126 Ų12658.2 Ų58.259%0.58930%0.297SS*.Hα-helixtrans-60.7-43.2174.6-74.4176.9175.600112T572 M578 E579T572-E576 WeakPolarHBondContact O-CB 3.3Å; T572-E576 WeakPolarHBondContact O-CG 3.39Å; T572-E576 PolarHBondContact O-N 3.26Å; E576-M578 PolarHBondContact O-N 2.81Å; E576-E579 PolarHBondContact O-N 3.36Å
577A95.1Very high93.8Very high5 Ų566 Ų664%0.04133%0.331CS..Hα-helixtrans-62.2-43.217600000111.7P540 I541 R573 L574 L575 T580P540-A577 HydrophobicContact CG-CB 3.62Å; I541-A577 HydrophobicContact CD1-CB 4.31Å; I541-A577 HydrophobicContact CG1-CB 4.46Å; I541-A577 HydrophobicContact CG2-CB 4.11Å; R573-A577 WeakPolarHBondContact O-CB 3.44Å; R573-A577 PolarHBondContact O-N 3.35Å; R573-A577 VanDerWaalsContact O-N 3.11Å; L574-A577 PolarHBondContact O-N 3.5Å; L575-A577 PolarHBondContact O-N 2.91Å; A577-T580 PolarHBondContact O-OG1 3.25Å
578M94.9Very high93.7Very high3 Ų369.6 Ų69.62%0.01534%0.342CS..Hα-helixtrans-67.2-37179-72.7-173.573.500113.4F511 E512 L515 Y530 L533 L574 L575 E576 T580 C581 N582F511-M578 HydrophobicContact CB-CE 4.08Å; E512-M578 HydrophobicContact CB-SD 4.18Å; E512-M578 HydrophobicContact CG-CE 3.99Å; E512-M578 HydrophobicContact CG-SD 3.85Å; L515-M578 HydrophobicContact CB-SD 4.22Å; L515-M578 HydrophobicContact CD2-CE 4.4Å; L515-M578 HydrophobicContact CD2-CG 3.39Å; L515-M578 HydrophobicContact CD2-SD 3.59Å; L515-M578 VanDerWaalsContact CD2-SD 3.59Å; Y530-M578 HydrophobicContact CD1-CE 4.27Å; Y530-M578 HydrophobicContact CD1-CG 4.45Å; Y530-M578 HydrophobicContact CE1-CB 4.22Å; Y530-M578 HydrophobicContact CE1-CE 3.83Å; Y530-M578 HydrophobicContact CE1-CG 4.35Å; Y530-M578 HydrophobicContact CE2-CE 4.09Å; L533-M578 HydrophobicContact CD1-CG 4.48Å; L574-M578 HydrophobicContact CG-SD 4.46Å; L574-M578 WeakPolarHBondContact O-CG 3.27Å; L574-M578 PolarHBondContact O-N 3.39Å; L575-M578 PolarHBondContact O-N 3.08Å; E576-M578 PolarHBondContact O-N 2.81Å; M578-T580 PolarHBondContact O-N 3.44Å; M578-C581 PolarHBondContact O-N 3.41Å; M578-N582 PolarHBondContact O-N 2.83Å; M578-N582 VanDerWaalsContact O-N 3.13Å; M578-N582 PolarHBondContact O-OD1 3.28Å; M578-N582 VanDerWaalsContact O-OD1 3.14Å
579E93.5Very high93.6Very high125 Ų12568.4 Ų68.458%0.58434%0.337SS*.Hα-helixtrans-58.9-34.9-177-17057.4-151.600112.2L575 E576 C581 N582L575-E579 PolarHBondContact O-N 3.01Å; E576-E579 PolarHBondContact O-N 3.36Å; E579-C581 PolarHBondContact O-N 2.89Å; E579-C581 VanDerWaalsContact O-N 3.12Å; E579-N582 PolarHBondContact O-N 3.28Å; E579-N582 PolarHBondContact OE2-ND2 3.03Å
580T91.9Very high93.5Very high91 Ų9173.8 Ų73.856%0.55836%0.357SS*.Hα-helixtrans-58.5-27.1175.269.50000113.2A577 M578 H583A577-T580 PolarHBondContact O-OG1 3.25Å; M578-T580 PolarHBondContact O-N 3.44Å; T580-H583 PolarHBondContact O-CE1 2.78Å; T580-H583 PolarHBondContact O-ND1 3.17Å
581C92.3Very high93.2Very high9 Ų977.4 Ų77.46%0.06137%0.37CS..Hα-helixtrans-103.1-18.7-174.1-60.20000113.3Y530 H532 M578 E579 H583 S584Y530-C581 HydrophobicContact CD1-CB 3.75Å; Y530-C581 HydrophobicContact CE1-CB 3.7Å; H532-C581 PolarHBondContact CE1-SG 2.8Å; M578-C581 PolarHBondContact O-N 3.41Å; E579-C581 PolarHBondContact O-N 2.89Å; E579-C581 VanDerWaalsContact O-N 3.12Å; C581-H583 PolarHBondContact O-N 2.95Å; C581-H583 VanDerWaalsContact O-N 3.08Å; C581-S584 WeakPolarHBondContact O-CB 3.46Å; C581-S584 PolarHBondContact O-N 3.25Å
582N91.3Very high93.2Very high28 Ų2877.1 Ų77.115%0.1537%0.367CS..Hα-helixtrans-56.2-31.4-171.3-78.6-12.6000114Y530 M578 E579 S584 L585Y530-N582 PolarHBondContact OH-OD1 3.41Å; M578-N582 PolarHBondContact O-N 2.83Å; M578-N582 VanDerWaalsContact O-N 3.13Å; M578-N582 PolarHBondContact O-OD1 3.28Å; M578-N582 VanDerWaalsContact O-OD1 3.14Å; E579-N582 PolarHBondContact O-N 3.28Å; E579-N582 PolarHBondContact OE2-ND2 3.03Å; N582-S584 PolarHBondContact O-N 2.89Å; N582-L585 PolarHBondContact O-N 2.81Å
583H90.8Very high93.2Very high137 Ų13773.8 Ų73.863%0.63435%0.346SS*.THydrogen-bonded Turntrans-64.3-26.3178.269-86.2000113.2T580 C581 L585 R590T580-H583 PolarHBondContact O-CE1 2.78Å; T580-H583 PolarHBondContact O-ND1 3.17Å; C581-H583 PolarHBondContact O-N 2.95Å; C581-H583 VanDerWaalsContact O-N 3.08Å; H583-L585 VanDerWaalsContact C-N 3.34Å; H583-R590 PolarHBondContact O-NH2 3.47Å
584S93.1Very high92.7Very high71 Ų7175.2 Ų75.250%0.49736%0.356SS..THydrogen-bonded Turntrans-83.5-3.3-178.1-69.30000114.3C581 N582C581-S584 WeakPolarHBondContact O-CB 3.46Å; C581-S584 PolarHBondContact O-N 3.25Å; N582-S584 PolarHBondContact O-N 2.89Å
585L93.6Very high92.1Very high13 Ų1378.5 Ų78.57%0.06837%0.371CS..  trans-66.1135.1176.9-72.2176.9000112.5F511 P527 Y530 N582 H583 E589 R590F511-L585 HydrophobicContact CD2-CD1 4.31Å; F511-L585 HydrophobicContact CD2-CD2 4.15Å; F511-L585 HydrophobicContact CE2-CD1 4.31Å; F511-L585 HydrophobicContact CE2-CD2 3.91Å; P527-L585 HydrophobicContact CB-CD2 3.88Å; P527-L585 HydrophobicContact CG-CD2 4.06Å; Y530-L585 HydrophobicContact CE2-CD2 3.76Å; Y530-L585 WeakPolarHBondContact OH-CD1 3.42Å; N582-L585 PolarHBondContact O-N 2.81Å; H583-L585 VanDerWaalsContact C-N 3.34Å; L585-E589 HydrophobicContact CB-CB 4.48Å; L585-E589 HydrophobicContact CD2-CB 4.06Å; L585-R590 HydrophobicContact CB-CG 3.73Å; L585-R590 HydrophobicContact CD1-CG 4.23Å; L585-R590 PolarHBondContact O-NE 3.41Å; L585-R590 PolarHBondContact O-NH2 3.37Å
586K93.9Very high91.1Very high138 Ų13877.8 Ų77.860%0.637%0.371SS*.  trans-65.5158.7171-60.6174.4-173.6167.50110.8E588 E589 R590K586-E588 VanDerWaalsContact C-N 3.34Å; K586-E588 PolarHBondContact O-N 3.49Å; K586-E589 HydrophobicContact CB-CB 4.38Å; K586-E589 HydrophobicContact CB-CG 4.07Å; K586-E589 WeakPolarHBondContact CB-OE2 3.45Å; K586-E589 WeakPolarHBondContact CG-OE2 3.46Å; K586-E589 PolarHBondContact N-OE2 2.83Å; K586-E589 WeakPolarHBondContact O-CB 3.4Å; K586-E589 PolarHBondContact O-N 3.02Å; K586-E589 VanDerWaalsContact O-N 3.15Å; K586-R590 WeakPolarHBondContact O-CG 3.45Å; K586-R590 PolarHBondContact O-N 3.05Å
587K92Very high90.1Very high174 Ų17478.8 Ų78.876%0.75738%0.376SS*.Hα-helixtrans-56.9-44.3179.9-171.2-177.6176.9-172.10112.8R590 K591K587-R590 PolarHBondContact O-N 3.1Å; K587-K591 PolarHBondContact O-N 3.47Å; K587-K591 VanDerWaalsContact O-N 3.11Å
588E91.6Very high89.3Confident131 Ų13181 Ų8161%0.61239%0.39SS*.Hα-helixtrans-67.4-36.8178.3-57.5-52.315200112.3K586 R590 K591 R592K586-E588 VanDerWaalsContact C-N 3.34Å; K586-E588 PolarHBondContact O-N 3.49Å; E588-R590 VanDerWaalsContact C-N 3.34Å; E588-R590 PolarHBondContact O-N 3.39Å; E588-K591 PolarHBondContact O-N 2.9Å; E588-R592 PolarHBondContact O-N 2.85Å
589E93.8Very high88.5Confident25 Ų2583.5 Ų83.512%0.11740%0.403CS..Hα-helixtrans-65.3-39.4175.1-64.8168.9162.700111F511 L585 K586 K591 R592 N593F511-E589 HydrophobicContact CE2-CB 3.94Å; F511-E589 VanDerWaalsContact CE2-O 3.23Å; F511-E589 WeakPolarHBondContact CE2-O 3.25Å; F511-E589 HydrophobicContact CZ-CB 4.04Å; F511-E589 WeakPolarHBondContact CZ-O 3.3Å; L585-E589 HydrophobicContact CB-CB 4.48Å; L585-E589 HydrophobicContact CD2-CB 4.06Å; K586-E589 HydrophobicContact CB-CB 4.38Å; K586-E589 HydrophobicContact CB-CG 4.07Å; K586-E589 WeakPolarHBondContact CB-OE2 3.45Å; K586-E589 WeakPolarHBondContact CG-OE2 3.46Å; K586-E589 PolarHBondContact N-OE2 2.83Å; K586-E589 WeakPolarHBondContact O-CB 3.4Å; K586-E589 PolarHBondContact O-N 3.02Å; K586-E589 VanDerWaalsContact O-N 3.15Å; E589-K591 VanDerWaalsContact C-N 3.29Å; E589-K591 PolarHBondContact O-N 3.33Å; E589-R592 PolarHBondContact O-N 2.59Å; E589-N593 WeakPolarHBondContact O-CB 3.21Å; E589-N593 PolarHBondContact O-N 2.94Å
590R91.8Very high87.9Confident125 Ų12579.4 Ų79.447%0.47239%0.385SS..Hα-helixtrans-63.9-33.2174-67177.3-169.4-159.8-1.9112.8H583 L585 K586 K587 E588 Q594H583-R590 PolarHBondContact O-NH2 3.47Å; L585-R590 HydrophobicContact CB-CG 3.73Å; L585-R590 HydrophobicContact CD1-CG 4.23Å; L585-R590 PolarHBondContact O-NE 3.41Å; L585-R590 PolarHBondContact O-NH2 3.37Å; K586-R590 WeakPolarHBondContact O-CG 3.45Å; K586-R590 PolarHBondContact O-N 3.05Å; K587-R590 PolarHBondContact O-N 3.1Å; E588-R590 VanDerWaalsContact C-N 3.34Å; E588-R590 PolarHBondContact O-N 3.39Å; R590-Q594 WeakPolarHBondContact O-CG 3.26Å; R590-Q594 PolarHBondContact O-NE2 2.77Å; R590-Q594 VanDerWaalsContact O-NE2 3.13Å
591K89.3Confident87.4Confident143 Ų14375.3 Ų75.362%0.62236%0.36SS*.Hα-helixtrans-70.8-44.8174.3-172.7-175.8175.8-168.70110.8K587 E588 E589 N593 Q594K587-K591 PolarHBondContact O-N 3.47Å; K587-K591 VanDerWaalsContact O-N 3.11Å; E588-K591 PolarHBondContact O-N 2.9Å; E589-K591 VanDerWaalsContact C-N 3.29Å; E589-K591 PolarHBondContact O-N 3.33Å; K591-N593 PolarHBondContact O-N 2.97Å; K591-Q594 PolarHBondContact O-N 3.29Å
592R92.6Very high86.8Confident43 Ų4377.8 Ų77.816%0.16237%0.368CS..Hα-helixtrans-64.3-22.9177.1-171168.168.9-164.65113.4G136 E138 A141 F511 E588 E589 Q594G136-R592 WeakPolarHBondContact O-CD 3.02Å; G136-R592 PolarHBondContact O-NE 2.9Å; E138-R592 VanDerWaalsContact CB-NH1 3.28Å; A141-R592 HydrophobicContact CB-CG 4.43Å; F511-R592 HydrophobicContact CE1-CB 4.48Å; F511-R592 HydrophobicContact CE1-CG 4.24Å; F511-R592 HydrophobicContact CZ-CB 4.22Å; F511-R592 HydrophobicContact CZ-CG 4.45Å; E588-R592 PolarHBondContact O-N 2.85Å; E589-R592 PolarHBondContact O-N 2.59Å; R592-Q594 VanDerWaalsContact C-N 3.26Å; R592-Q594 PolarHBondContact O-N 2.83Å
593N94.3Very high86.5Confident14 Ų1479.7 Ų79.78%0.07537%0.373CS..THydrogen-bonded Turntrans-88.224.7177.3-156.931.3000113.9K509 P510 F511 E589 K591K509-N593 WeakPolarHBondContact CB-OD1 3.26Å; P510-N593 WeakPolarHBondContact CD-OD1 3.42Å; F511-N593 WeakPolarHBondContact CB-OD1 3.2Å; F511-N593 HydrophobicContact CD1-CB 4.45Å; F511-N593 HydrophobicContact CD2-CB 3.65Å; F511-N593 VanDerWaalsContact CD2-CG 3.4Å; F511-N593 HydrophobicContact CE1-CB 4.41Å; F511-N593 HydrophobicContact CE2-CB 3.62Å; F511-N593 HydrophobicContact CG-CB 4.09Å; F511-N593 VanDerWaalsContact CG-OD1 3.3Å; F511-N593 WeakPolarHBondContact CG-OD1 3.49Å; F511-N593 HydrophobicContact CZ-CB 4.02Å; F511-N593 PolarHBondContact N-OD1 3.23Å; E589-N593 WeakPolarHBondContact O-CB 3.21Å; E589-N593 PolarHBondContact O-N 2.94Å; K591-N593 PolarHBondContact O-N 2.97Å
594Q85.3Confident85.9Confident122 Ų12274 Ų7457%0.5735%0.348SS*.SBendtrans-119.9153.5178.2-65.5174.724.700110.4R590 K591 R592R590-Q594 WeakPolarHBondContact O-CG 3.26Å; R590-Q594 PolarHBondContact O-NE2 2.77Å; R590-Q594 VanDerWaalsContact O-NE2 3.13Å; K591-Q594 PolarHBondContact O-N 3.29Å; R592-Q594 VanDerWaalsContact C-N 3.26Å; R592-Q594 PolarHBondContact O-N 2.83Å
595H82.1Confident85.1Confident70 Ų7080 Ų8032%0.32436%0.36SS..  trans-88.1150.4173-62-52.3000111.2E172 P174 F508E172-H595 VanDerWaalsContact O-CA 3.31Å; E172-H595 WeakPolarHBondContact O-CA 3.41Å; E172-H595 PolarHBondContact O-ND1 2.9Å; P174-H595 HydrophobicContact CG-CB 4.23Å; F508-H595 PolarHBondContact O-CE1 3.02Å; F508-H595 VanDerWaalsContact O-CE1 3.23Å; F508-H595 PolarHBondContact O-NE2 3.46Å; F508-H595 VanDerWaalsContact O-NE2 3.16Å
596S73.8Confident84.1Confident40 Ų4086.5 Ų86.528%0.2839%0.394SS..  trans-135.7163.1174.476.10000111.5E172 T173E172-S596 WeakPolarHBondContact CB-OG 3.4Å; E172-S596 PolarHBondContact O-N 3.11Å; E172-S596 WeakPolarHBondContact OE2-CB 3.37Å; E172-S596 PolarHBondContact OE2-OG 2.76Å; T173-S596 VanDerWaalsContact CA-O 3.26Å; T173-S596 WeakPolarHBondContact CA-O 3.32Å; T173-S596 WeakPolarHBondContact CB-O 3.41Å; T173-S596 PolarHBondContact OG1-O 2.88Å
597E75.1Confident83Confident148 Ų14881.8 Ų81.869%0.69238%0.377SS*.PPolyproline II helixtrans-84.2167.2-178.6-62.1-173.1162.300112.3
598C78.4Confident82.1Confident52 Ų5279.2 Ų79.235%0.35137%0.368SS..PPolyproline II helixtrans-66.6138.5174.9-177.90000111F168F168-C598 VanDerWaalsContact C-SG 3.57Å; F168-C598 PolarHBondContact O-SG 2.72Å
599L78.1Confident81.5Confident55 Ų5576.3 Ų76.329%0.28835%0.353SS..EExtended strand (participates in β ladder)trans-89.5128.6176.7-61.3178.3000110.2K148 Y167 F168K148-L599 HydrophobicContact CD-CD1 3.66Å; K148-L599 HydrophobicContact CG-CD1 3.84Å; Y167-L599 CarbonylContact C-O 3.48Å; Y167-L599 WeakPolarHBondContact CA-O 2.95Å; F168-L599 HydrophobicContact CB-CB 4.42Å; F168-L599 HydrophobicContact CD1-CD1 4.14Å; F168-L599 PolarHBondContact N-O 3.18Å; F168-L599 PolarHBondContact O-N 3.4Å
600M81.9Confident80.6Confident38 Ų3879.5 Ų79.519%0.18737%0.374CS..EExtended strand (participates in β ladder)trans-109.2128.1172.1-171.3-179.584.300109.7T165 I166 Y167 W602 Y630T165-M600 HydrophobicContact CG2-CG 3.84Å; T165-M600 HydrophobicContact CG2-SD 4.14Å; I166-M600 CarbonylContact O-C 3.55Å; I166-M600 WeakPolarHBondContact O-CA 3.47Å; Y167-M600 HydrophobicContact CD1-CB 4.12Å; Y167-M600 HydrophobicContact CD1-CG 4.02Å; Y167-M600 HydrophobicContact CE1-CB 4Å; Y167-M600 HydrophobicContact CE1-CG 3.58Å; Y167-M600 HydrophobicContact CE1-SD 3.57Å; Y167-M600 VanDerWaalsContact CE1-SD 3.57Å; Y167-M600 PolarHBondContact OH-SD 3.14Å; Y167-M600 VanDerWaalsContact OH-SD 3.36Å; M600-W602 HydrophobicContact CE-CE3 3.89Å; M600-W602 HydrophobicContact CE-CH2 4.38Å; M600-W602 HydrophobicContact CE-CZ3 3.54Å; M600-W602 HydrophobicContact CG-CE3 4.5Å; M600-Y630 WeakPolarHBondContact CE-O 3.33Å
601C80.6Confident80.1Confident6 Ų675.3 Ų75.34%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-132.5139.6-175.5-57.70000110.2V151 I155 I166 T627V151-C601 HydrophobicContact CG1-CB 4.21Å; I155-C601 HydrophobicContact CD1-CB 3.59Å; I166-C601 HydrophobicContact CB-CB 4.43Å; I166-C601 PolarHBondContact N-O 2.88Å; I166-C601 PolarHBondContact O-N 3.14Å; C601-T627 HydrophobicContact CB-CG2 3.82Å
602W80.4Confident79.7Confident60 Ų6073 Ų7323%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-148.9166.1169.268.699.1000110.2M600 R628M600-W602 HydrophobicContact CE-CE3 3.89Å; M600-W602 HydrophobicContact CE-CH2 4.38Å; M600-W602 HydrophobicContact CE-CZ3 3.54Å; M600-W602 HydrophobicContact CG-CE3 4.5Å; W602-R628 HydrophobicContact CH2-CB 3.98Å; W602-R628 HydrophobicContact CH2-CG 3.9Å; W602-R628 HydrophobicContact CZ2-CB 3.64Å; W602-R628 HydrophobicContact CZ2-CG 3.67Å; W602-R628 WeakPolarHBondContact CZ3-O 3.22Å; W602-R628 PolarHBondContact O-N 2.9Å; W602-R628 VanDerWaalsContact O-N 3.16Å
603Y84Confident79.3Confident68 Ų6871.5 Ų71.527%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-76.7127.5177.1178.5-103.3000111.3I155 Q162 R605 C626I155-Y603 HydrophobicContact CG2-CD2 4.2Å; Q162-Y603 HydrophobicContact CB-CD1 3.89Å; Q162-Y603 HydrophobicContact CB-CD2 4.31Å; Q162-Y603 HydrophobicContact CB-CG 3.73Å; Q162-Y603 HydrophobicContact CG-CD1 4.04Å; Q162-Y603 HydrophobicContact CG-CD2 3.62Å; Q162-Y603 HydrophobicContact CG-CE2 4.15Å; Q162-Y603 HydrophobicContact CG-CG 3.56Å; Y603-R605 HydrophobicContact CE1-CB 4.03Å; Y603-C626 HydrophobicContact CD2-CB 3.83Å; Y603-C626 HydrophobicContact CE2-CB 3.47Å; Y603-C626 VanDerWaalsContact CE2-CB 3.47Å
604D78.4Confident78.5Confident18 Ų1873.6 Ų73.610%0.09637%0.371CS..  trans-126.9115.8171.2-175.9-4.3000109.2D606 T607 C626 R628D604-D606 PolarHBondContact O-N 3.2Å; D604-D606 PolarHBondContact OD1-N 2.89Å; D604-T607 PolarHBondContact O-N 3.26Å; D604-T607 PolarHBondContact OD2-OG1 3.41Å; D604-C626 PolarHBondContact N-O 3.31Å; D604-C626 WeakPolarHBondContact O-CB 3Å; D604-R628 HydrophobicContact CB-CB 3.94Å; D604-R628 WeakPolarHBondContact OD2-CD 3.26Å; D604-R628 IonicContact OD2-CZ 3.29Å; D604-R628 IonicContact OD2-NE 2.76Å; D604-R628 IonicContact OD2-NH1 2.83Å; D604-R628 PolarHBondContact OD2-NH1 2.9Å
605R75.4Confident78.3Confident198 Ų19868.9 Ų68.975%0.74735%0.348SS*.THydrogen-bonded Turntrans-66.3-25.8-179.7-176.6178.7169.3-166.9-5112.7Y603Y603-R605 HydrophobicContact CE1-CB 4.03Å
606D73.8Confident78.1Confident149 Ų14970.3 Ų70.380%0.79736%0.364SS*.THydrogen-bonded Turntrans-89.6-6.5-173.7-61.4-32.2000112.5D604D604-D606 PolarHBondContact O-N 3.2Å; D604-D606 PolarHBondContact OD1-N 2.89Å
607T69.7Low78.2Confident38 Ų3877 Ų7723%0.23339%0.391CS..  trans-103.5125176.6-58.70000109.5D604 F609 C626D604-T607 PolarHBondContact O-N 3.26Å; D604-T607 PolarHBondContact OD2-OG1 3.41Å; T607-F609 HydrophobicContact CG2-CD1 3.98Å; T607-F609 HydrophobicContact CG2-CE1 4.26Å; T607-C626 VanDerWaalsContact O-CA 3.31Å; T607-C626 WeakPolarHBondContact O-CA 3.49Å; T607-C626 PolarHBondContact O-SG 3.39Å; T607-C626 VanDerWaalsContact O-SG 3.37Å
608E74.5Confident78.1Confident120 Ų12075 Ų7556%0.56138%0.38SS*.  trans-139.1117.2176-167.4176.7178.700109.2R624 C625E608-R624 HydrophobicContact CG-CB 4.12Å; E608-R624 HydrophobicContact CG-CG 4.4Å; E608-R624 WeakPolarHBondContact OE1-CD 3.4Å; E608-R624 WeakPolarHBondContact OE1-CG 3.15Å; E608-R624 IonicContact OE1-CZ 3.93Å; E608-R624 IonicContact OE1-NE 3.43Å; E608-R624 PolarHBondContact OE1-NE 3.03Å; E608-C625 WeakPolarHBondContact CA-O 3.38Å
609F79.5Confident78Confident70 Ų7074.9 Ų74.931%0.30737%0.373SS..EExtended strand (participates in β ladder)trans-146.2162.4174.768.1-79.3000111.1T607 Y611 C625 T627 F629T607-F609 HydrophobicContact CG2-CD1 3.98Å; T607-F609 HydrophobicContact CG2-CE1 4.26Å; F609-Y611 AromaticContact CE2-CD2 3.82Å; F609-Y611 HydrophobicContact CE2-CD2 3.82Å; F609-Y611 HydrophobicContact CE2-CG 4.48Å; F609-Y611 HydrophobicContact CZ-CD2 4.22Å; F609-C625 HydrophobicContact CD1-CB 4.21Å; F609-C625 WeakPolarHBondContact CD1-O 3.28Å; F609-C625 HydrophobicContact CD2-CB 4.37Å; F609-C625 HydrophobicContact CE1-CB 3.96Å; F609-C625 HydrophobicContact CE2-CB 4.17Å; F609-C625 HydrophobicContact CG-CB 4.4Å; F609-C625 HydrophobicContact CZ-CB 3.95Å; F609-C625 PolarHBondContact N-O 3.19Å; F609-C625 VanDerWaalsContact N-O 3.14Å; F609-C625 WeakPolarHBondContact O-CA 3.48Å; F609-C625 WeakPolarHBondContact O-CB 3.4Å; F609-C625 PolarHBondContact O-N 3.28Å; F609-T627 WeakPolarHBondContact CE1-O 3.4Å; F609-F629 HydrophobicContact CZ-CE2 4.16Å
610T74.6Confident78.2Confident92 Ų9276.8 Ų76.856%0.56439%0.389SS*.EExtended strand (participates in β ladder)trans-85.2123.7176.3-54.20000110.5A621 I622 E623T610-A621 HydrophobicContact CG2-CB 4.38Å; T610-I622 CarbonylContact C-O 3.59Å; T610-I622 VanDerWaalsContact CA-O 3.31Å; T610-I622 WeakPolarHBondContact CA-O 3.49Å; T610-E623 PolarHBondContact OG1-O 2.93Å
611Y79.9Confident77.9Confident38 Ų3877.1 Ų77.115%0.14940%0.398CS..EExtended strand (participates in β ladder)trans-103.9115.6174.5-165.6-74.5000109.8Y149 N152 F609 I622Y149-Y611 HydrophobicContact CD2-CD1 4.01Å; Y149-Y611 HydrophobicContact CD2-CE1 4.12Å; N152-Y611 HydrophobicContact CB-CD2 4.43Å; F609-Y611 AromaticContact CE2-CD2 3.82Å; F609-Y611 HydrophobicContact CE2-CD2 3.82Å; F609-Y611 HydrophobicContact CE2-CG 4.48Å; F609-Y611 HydrophobicContact CZ-CD2 4.22Å; Y611-I622 HydrophobicContact CD1-CD1 4.47Å; Y611-I622 PolarHBondContact N-O 3.48Å; Y611-I622 PolarHBondContact O-N 3.37Å
612S80.9Confident77.8Confident93 Ų9377.6 Ų77.665%0.6540%0.4SS*.  trans-68.4134.4179.4-58.20000111.4
613S84.4Confident77.6Confident12 Ų1282.1 Ų82.18%0.08442%0.423CS..  trans-72.6132.3172.91800000110.1W615 F619S613-W615 PolarHBondContact O-N 3.35Å; S613-W615 WeakPolarHBondContact OG-CA 3.45Å; S613-W615 PolarHBondContact OG-N 3.27Å; S613-W615 PolarHBondContact OG-O 3.49Å; S613-F619 WeakPolarHBondContact CB-O 3.43Å; S613-F619 PolarHBondContact OG-O 3.12Å
614P78.7Confident77.1Confident59 Ų5987.5 Ų87.538%0.38344%0.443SS..SBendtrans-67.2-7.2166.231.1-34.2000111.4Y149Y149-P614 HydrophobicContact CG-CG 4.34Å
615W79.8Confident76.4Confident22 Ų2286.6 Ų86.68%0.08344%0.439CS..  trans-137.167.3-178.6-157.7-3.2000113.7D58 F61 H146 S613 E617 K618 F619D58-W615 HydrophobicContact CB-CH2 3.42Å; D58-W615 VanDerWaalsContact CB-CH2 3.42Å; D58-W615 HydrophobicContact CB-CZ2 3.53Å; D58-W615 WeakPolarHBondContact O-CH2 3.32Å; D58-W615 WeakPolarHBondContact OD1-CZ2 3.06Å; D58-W615 WeakPolarHBondContact OD2-CZ2 3.28Å; F61-W615 HydrophobicContact CB-CZ3 4.43Å; H146-W615 AromaticContact CE1-CE3 3.88Å; S613-W615 PolarHBondContact O-N 3.35Å; S613-W615 WeakPolarHBondContact OG-CA 3.45Å; S613-W615 PolarHBondContact OG-N 3.27Å; S613-W615 PolarHBondContact OG-O 3.49Å; W615-E617 PolarHBondContact O-N 2.93Å; W615-E617 VanDerWaalsContact O-N 3.12Å; W615-K618 HydrophobicContact CD2-CB 4Å; W615-K618 HydrophobicContact CD2-CD 4.38Å; W615-K618 HydrophobicContact CD2-CG 4.34Å; W615-K618 HydrophobicContact CG-CB 4.24Å; W615-K618 HydrophobicContact CH2-CD 3.56Å; W615-K618 HydrophobicContact CH2-CG 4.46Å; W615-K618 VanDerWaalsContact CH2-NZ 3.3Å; W615-K618 HydrophobicContact CZ2-CB 4.32Å; W615-K618 HydrophobicContact CZ2-CD 3.26Å; W615-K618 HydrophobicContact CZ2-CG 3.79Å; W615-K618 VanDerWaalsContact CZ2-NZ 3.29Å; W615-K618 HydrophobicContact CZ3-CD 4.25Å; W615-K618 PolarHBondContact O-N 3.01Å; W615-F619 HydrophobicContact CB-CD2 4.43Å; W615-F619 HydrophobicContact CD2-CD2 4.3Å; W615-F619 AromaticContact CE3-CD2 3.84Å; W615-F619 HydrophobicContact CE3-CD2 3.84Å; W615-F619 AromaticContact CE3-CE2 3.82Å; W615-F619 HydrophobicContact CE3-CE2 3.82Å; W615-F619 HydrophobicContact CZ3-CD2 4.49Å; W615-F619 HydrophobicContact CZ3-CE2 4.02Å; W615-F619 PolarHBondContact O-N 3.25Å
616P78.2Confident76.4Confident100 Ų10078 Ų7865%0.64941%0.409SS*.THydrogen-bonded Turntrans-60.2-27.8-172.5-23.834.7000114.7F619P616-F619 WeakPolarHBondContact CA-O 3.39Å
617E75.1Confident75.9Confident182 Ų18271 Ų7185%0.8537%0.371SS*.THydrogen-bonded Turntrans-69.3-32-177.8-63.3179.9179.300113.5W615W615-E617 PolarHBondContact O-N 2.93Å; W615-E617 VanDerWaalsContact O-N 3.12Å
618K73.6Confident75.8Confident106 Ų10675.2 Ų75.246%0.46138%0.383SS..THydrogen-bonded Turntrans-105.5-35.6177-76.1-157.3-168.3165.30113.5W615W615-K618 HydrophobicContact CD2-CB 4Å; W615-K618 HydrophobicContact CD2-CD 4.38Å; W615-K618 HydrophobicContact CD2-CG 4.34Å; W615-K618 HydrophobicContact CG-CB 4.24Å; W615-K618 HydrophobicContact CH2-CD 3.56Å; W615-K618 HydrophobicContact CH2-CG 4.46Å; W615-K618 VanDerWaalsContact CH2-NZ 3.3Å; W615-K618 HydrophobicContact CZ2-CB 4.32Å; W615-K618 HydrophobicContact CZ2-CD 3.26Å; W615-K618 HydrophobicContact CZ2-CG 3.79Å; W615-K618 VanDerWaalsContact CZ2-NZ 3.29Å; W615-K618 HydrophobicContact CZ3-CD 4.25Å; W615-K618 PolarHBondContact O-N 3.01Å
619F77.3Confident74.5Confident48 Ų4874.3 Ų74.321%0.21138%0.377CS..SBendtrans-126.2118-175.1-65.9-72.3000109.7F65 Y149 S613 W615 P616F65-F619 HydrophobicContact CD2-CZ 4.33Å; F65-F619 HydrophobicContact CE2-CE2 4.21Å; F65-F619 HydrophobicContact CE2-CZ 4.42Å; Y149-F619 HydrophobicContact CE1-CB 3.65Å; Y149-F619 HydrophobicContact CE1-CD1 4.36Å; Y149-F619 AromaticContact CE1-CG 3.98Å; Y149-F619 HydrophobicContact CE1-CG 3.98Å; Y149-F619 WeakPolarHBondContact OH-CB 3.28Å; S613-F619 WeakPolarHBondContact CB-O 3.43Å; S613-F619 PolarHBondContact OG-O 3.12Å; W615-F619 HydrophobicContact CB-CD2 4.43Å; W615-F619 HydrophobicContact CD2-CD2 4.3Å; W615-F619 AromaticContact CE3-CD2 3.84Å; W615-F619 HydrophobicContact CE3-CD2 3.84Å; W615-F619 AromaticContact CE3-CE2 3.82Å; W615-F619 HydrophobicContact CE3-CE2 3.82Å; W615-F619 HydrophobicContact CZ3-CD2 4.49Å; W615-F619 HydrophobicContact CZ3-CE2 4.02Å; W615-F619 PolarHBondContact O-N 3.25Å; P616-F619 WeakPolarHBondContact CA-O 3.39Å
620P81.2Confident72.9Confident95 Ų9578.2 Ų78.262%0.61739%0.391SS*.  trans-67162.5179.928.5-34.2000111.7Y149Y149-P620 PolarHBondContact OH-O 2.91Å
621A74.8Confident71Confident45 Ų4579.8 Ų79.837%0.37239%0.394SS..  trans-59.5144.7170.400000110.4T610 E623T610-A621 HydrophobicContact CG2-CB 4.38Å; A621-E623 PolarHBondContact O-N 3.39Å
622I80.2Confident68.6Low16 Ų1685.2 Ų85.28%0.08242%0.421CS..EExtended strand (participates in β ladder)trans-81101.2175-51.9166.4000106.3Y149 N152 M153 T610 Y611 R624 C625Y149-I622 HydrophobicContact CD2-CD1 4.27Å; Y149-I622 HydrophobicContact CE2-CD1 3.94Å; Y149-I622 HydrophobicContact CE2-CG1 3.82Å; N152-I622 HydrophobicContact CB-CD1 3.91Å; M153-I622 HydrophobicContact CB-CD1 3.88Å; M153-I622 HydrophobicContact CB-CG1 4.49Å; T610-I622 CarbonylContact C-O 3.59Å; T610-I622 VanDerWaalsContact CA-O 3.31Å; T610-I622 WeakPolarHBondContact CA-O 3.49Å; Y611-I622 HydrophobicContact CD1-CD1 4.47Å; Y611-I622 PolarHBondContact N-O 3.48Å; Y611-I622 PolarHBondContact O-N 3.37Å; I622-R624 VanDerWaalsContact C-N 3.29Å; I622-R624 PolarHBondContact O-N 2.89Å; I622-C625 HydrophobicContact CB-CB 4.41Å; I622-C625 HydrophobicContact CG2-CB 3.97Å
623E76.1Confident66.1Low156 Ų15689.3 Ų89.373%0.72943%0.43SS*.EExtended strand (participates in β ladder)trans-63.6-37.6-177-64.3-172.1167.700112.1T610 A621T610-E623 PolarHBondContact OG1-O 2.93Å; A621-E623 PolarHBondContact O-N 3.39Å
624R73.7Confident63.7Low180 Ų18094 Ų9468%0.67946%0.46SS*.EExtended strand (participates in β ladder)trans-120.172.3-179-54.8-166.1159.5161.63.6111.4E608 I622E608-R624 HydrophobicContact CG-CB 4.12Å; E608-R624 HydrophobicContact CG-CG 4.4Å; E608-R624 WeakPolarHBondContact OE1-CD 3.4Å; E608-R624 WeakPolarHBondContact OE1-CG 3.15Å; E608-R624 IonicContact OE1-CZ 3.93Å; E608-R624 IonicContact OE1-NE 3.43Å; E608-R624 PolarHBondContact OE1-NE 3.03Å; I622-R624 VanDerWaalsContact C-N 3.29Å; I622-R624 PolarHBondContact O-N 2.89Å
625C62.7Low61.3Low0 Ų095.8 Ų95.80%047%0.472CS..EExtended strand (participates in β ladder)trans-78.3122.5175-167.90000109.6E608 F609 I622 T627E608-C625 WeakPolarHBondContact CA-O 3.38Å; F609-C625 HydrophobicContact CD1-CB 4.21Å; F609-C625 WeakPolarHBondContact CD1-O 3.28Å; F609-C625 HydrophobicContact CD2-CB 4.37Å; F609-C625 HydrophobicContact CE1-CB 3.96Å; F609-C625 HydrophobicContact CE2-CB 4.17Å; F609-C625 HydrophobicContact CG-CB 4.4Å; F609-C625 HydrophobicContact CZ-CB 3.95Å; F609-C625 PolarHBondContact N-O 3.19Å; F609-C625 VanDerWaalsContact N-O 3.14Å; F609-C625 WeakPolarHBondContact O-CA 3.48Å; F609-C625 WeakPolarHBondContact O-CB 3.4Å; F609-C625 PolarHBondContact O-N 3.28Å; I622-C625 HydrophobicContact CB-CB 4.41Å; I622-C625 HydrophobicContact CG2-CB 3.97Å; C625-T627 PolarHBondContact SG-OG1 2.91Å
626C75.7Confident58.9Low18 Ų1898.4 Ų98.412%0.12251%0.506CS..  trans-110.328.7-179-67.80000112.5S156 Y603 D604 T607S156-C626 PolarHBondContact OG-N 3.44Å; Y603-C626 HydrophobicContact CD2-CB 3.83Å; Y603-C626 HydrophobicContact CE2-CB 3.47Å; Y603-C626 VanDerWaalsContact CE2-CB 3.47Å; D604-C626 PolarHBondContact N-O 3.31Å; D604-C626 WeakPolarHBondContact O-CB 3Å; T607-C626 VanDerWaalsContact O-CA 3.31Å; T607-C626 WeakPolarHBondContact O-CA 3.49Å; T607-C626 PolarHBondContact O-SG 3.39Å; T607-C626 VanDerWaalsContact O-SG 3.37Å
627T63.6Low56.5Low1 Ų1100.5 Ų100.51%0.00652%0.517CS..EExtended strand (participates in β ladder)trans-93.2135.1178.9-48.10000110.6N152 I155 C601 F609 C625 F629N152-T627 WeakPolarHBondContact OD1-CB 3.43Å; N152-T627 WeakPolarHBondContact OD1-CG2 3.45Å; N152-T627 PolarHBondContact OD1-OG1 3.27Å; I155-T627 HydrophobicContact CD1-CG2 3.87Å; C601-T627 HydrophobicContact CB-CG2 3.82Å; F609-T627 WeakPolarHBondContact CE1-O 3.4Å; C625-T627 PolarHBondContact SG-OG1 2.91Å; T627-F629 HydrophobicContact CG2-CE1 4.45Å; T627-F629 HydrophobicContact CG2-CZ 4.4Å
628R66.4Low54.1Low127 Ų127101.2 Ų101.248%0.47952%0.52SS..EExtended strand (participates in β ladder)trans-110.4149.4169.9-166162.4179.4179.3-0.4111.2W602 D604W602-R628 HydrophobicContact CH2-CB 3.98Å; W602-R628 HydrophobicContact CH2-CG 3.9Å; W602-R628 HydrophobicContact CZ2-CB 3.64Å; W602-R628 HydrophobicContact CZ2-CG 3.67Å; W602-R628 WeakPolarHBondContact CZ3-O 3.22Å; W602-R628 PolarHBondContact O-N 2.9Å; W602-R628 VanDerWaalsContact O-N 3.16Å; D604-R628 HydrophobicContact CB-CB 3.94Å; D604-R628 WeakPolarHBondContact OD2-CD 3.26Å; D604-R628 IonicContact OD2-CZ 3.29Å; D604-R628 IonicContact OD2-NE 2.76Å; D604-R628 IonicContact OD2-NH1 2.83Å; D604-R628 PolarHBondContact OD2-NH1 2.9Å
629F47.8Very low51.8Low100 Ų100105.5 Ų105.544%0.43954%0.539SS..EExtended strand (participates in β ladder)trans-116.9127.2176.6-52.2-82.4000108.6F609 T627F609-F629 HydrophobicContact CZ-CE2 4.16Å; T627-F629 HydrophobicContact CG2-CE1 4.45Å; T627-F629 HydrophobicContact CG2-CZ 4.4Å
630Y45.4Very low49.5Very low153 Ų153108 Ų10860%0.656%0.558SS**  trans-166167.7174.9-163.6-115.8000111.6M600 E632M600-Y630 WeakPolarHBondContact CE-O 3.33Å; Y630-E632 WeakPolarHBondContact CE1-O 3.39Å
631I35.9Very low46.9Very low124 Ų124113.6 Ų113.664%0.63657%0.568SS**SBendtrans-114.4117.9177.8-65.8170.3000108.1
632E29.6Very low45.3Very low153 Ų153117.5 Ų117.572%0.71558%0.582SS**  trans65.7134.3175.4-76.8-170.215200120.3Y630Y630-E632 WeakPolarHBondContact CE1-O 3.39Å
633E29Very low42.9Very low178 Ų178120.6 Ų120.683%0.83262%0.618SS**  trans-153.9164.9164.2-101.1-151.4168.700113
634P32Very low41.3Very low110 Ų110120.7 Ų120.771%0.71462%0.616SS**  trans-101.6175.1-153.239.8-34.7000116.4
635P30.3Very low39.1Very low97 Ų97119.3 Ų119.363%0.6363%0.627SS**  trans-107.6162-162.439-32.6000117D193D193-P635 WeakPolarHBondContact OD2-CB 3.38Å; D193-P635 WeakPolarHBondContact OD2-CG 3.3Å
636G28.1Very low37.6Very low78 Ų78123.5 Ų123.580%0.80466%0.662SS**  trans-154.3146.1172.200000114.4
637T28.1Very low35.5Very low143 Ų143128.3 Ų128.388%0.87769%0.693SS**  trans-117157.4-159.2-17.80000114.9
638Q23.9Very low34Very low197 Ų197134.5 Ų134.592%0.92173%0.733SS**  trans-157.5156.8154.3-117.6177.723.900116.3
639K25.6Very low32.3Very low197 Ų197134.4 Ų134.486%0.85775%0.752SS**  trans-103.9165.6-162.7-77.1178.4173.9175.10116.3
640V28.6Very low31.7Very low100 Ų100139.4 Ų139.461%0.60677%0.774SS**  trans-106.1149.4-176.8179.20000113.6F731V640-F731 HydrophobicContact CG2-CD2 4.11Å; V640-F731 HydrophobicContact CG2-CE2 4.01Å
641Y27.1Very low31.2Very low213 Ų213138.8 Ų138.884%0.83579%0.785SS**  trans-149158.3156.6-85.9-72.1000116
642L41.2Very low31.6Very low127 Ų127140.1 Ų140.167%0.66579%0.792SS**  trans-86.3157.6-166.6-72.3112000116.9
643G29.7Very low32.4Very low80 Ų80141.7 Ų141.783%0.82580%0.8SS**  trans179.1129.4155.900000115.8
644K42.1Very low33.7Very low159 Ų159138.4 Ų138.469%0.69179%0.787SS**  trans-97141.1-176.4-71.4-177.5171.1-163.90112.9D727K644-D727 IonicContact NZ-OD2 3.23Å; K644-D727 PolarHBondContact NZ-OD2 3.28Å
645T28.9Very low35.6Very low150 Ų150137 Ų13792%0.9278%0.777SS**  trans-174.1138.5141.225.30000111.6
646A30.3Very low37.4Very low88 Ų88138.9 Ų138.973%0.72778%0.781SS**  trans-109.8147.4177.200000112.1
647P31.1Very low39.3Very low119 Ų119143 Ų14377%0.77378%0.777SS**  trans-95.2165.3176.235.2-28.4000113.5
648P32.8Very low41.2Very low132 Ų132140.3 Ų140.386%0.85776%0.755SS**  trans-88.3157-162.535.3-34000114.2
649S30.3Very low43.4Very low124 Ų124136.6 Ų136.687%0.86774%0.737SS**  trans-121.7148.7178.523.10000112.1
650K34.9Very low45.7Very low206 Ų206130.3 Ų130.390%0.89672%0.718SS**  trans-109.3137.8-176.1-156.9179.5-174.3-177.40109.9
651V36.6Very low48Very low139 Ų139129.8 Ų129.884%0.84271%0.712SS**  trans-105.1140.8-175.4-1790000110.8
652I43.8Very low50.4Low152 Ų152123.3 Ų123.378%0.77969%0.686SS**  trans-132.1144.2177-55.7175000108.5
653Q46.6Very low52.3Low187 Ų187120.9 Ų120.987%0.87468%0.677SS**PPolyproline II helixtrans-89.4141.7176.5-75.7-165-22.200112.5
654L55.1Low54.8Low109 Ų109123.8 Ų123.857%0.57167%0.667SS**PPolyproline II helixtrans-89.6149.4-173.3-62.2167.3000112.7E658L654-E658 WeakPolarHBondContact CA-OE2 3.24Å; L654-E658 HydrophobicContact CB-CB 4.05Å; L654-E658 HydrophobicContact CD2-CB 3.92Å
655T72.4Confident56.8Low80 Ų80119.2 Ų119.249%0.49165%0.648SS.*PPolyproline II helixtrans-86.3163.717259.80000112.5K657 E658 Q659T655-K657 VanDerWaalsContact C-N 3.27Å; T655-K657 PolarHBondContact O-N 3.08Å; T655-E658 WeakPolarHBondContact CB-OE2 3.33Å; T655-E658 PolarHBondContact N-OE2 3.13Å; T655-E658 CarbonylContact O-C 3.59Å; T655-E658 WeakPolarHBondContact O-CA 3.32Å; T655-E658 WeakPolarHBondContact O-CB 3.22Å; T655-E658 PolarHBondContact O-N 3.33Å; T655-E658 VanDerWaalsContact OG1-CG 3.31Å; T655-E658 WeakPolarHBondContact OG1-CG 3.39Å; T655-E658 PolarHBondContact OG1-OE2 3.15Å; T655-Q659 PolarHBondContact O-N 3.27Å
656D67.5Low59.4Low137 Ų137113.1 Ų113.173%0.73361%0.609SS**Hα-helixtrans-57.1-34.3-177.2-60.3-27.3000114.2Q659 S660D656-Q659 PolarHBondContact O-N 3.34Å; D656-S660 PolarHBondContact O-N 2.94Å
657K69.1Low62Low163 Ų163114.2 Ų114.271%0.70960%0.599SS**Hα-helixtrans-70.3-36.4175.3-172177.1180-178.90111.6T655 Q659 N661T655-K657 VanDerWaalsContact C-N 3.27Å; T655-K657 PolarHBondContact O-N 3.08Å; K657-Q659 VanDerWaalsContact C-N 3.34Å; K657-N661 PolarHBondContact O-N 3.47Å; K657-N661 VanDerWaalsContact O-N 3.16Å
658E68.6Low64.7Low88 Ų88110.3 Ų110.341%0.41158%0.58SS.*Hα-helixtrans-71-31.6175.6-67.6167147.400111.2L654 T655 N661 W662L654-E658 WeakPolarHBondContact CA-OE2 3.24Å; L654-E658 HydrophobicContact CB-CB 4.05Å; L654-E658 HydrophobicContact CD2-CB 3.92Å; T655-E658 WeakPolarHBondContact CB-OE2 3.33Å; T655-E658 PolarHBondContact N-OE2 3.13Å; T655-E658 CarbonylContact O-C 3.59Å; T655-E658 WeakPolarHBondContact O-CA 3.32Å; T655-E658 WeakPolarHBondContact O-CB 3.22Å; T655-E658 PolarHBondContact O-N 3.33Å; T655-E658 VanDerWaalsContact OG1-CG 3.31Å; T655-E658 WeakPolarHBondContact OG1-CG 3.39Å; T655-E658 PolarHBondContact OG1-OE2 3.15Å; E658-N661 PolarHBondContact O-N 3.07Å; E658-W662 WeakPolarHBondContact O-CB 3.31Å; E658-W662 PolarHBondContact O-N 2.97Å
659Q68.8Low67.1Low119 Ų119104.8 Ų104.856%0.55654%0.544SS*.Hα-helixtrans-66.8-39.6174.5-162.5172.310.700112.9T655 D656 K657 T663T655-Q659 PolarHBondContact O-N 3.27Å; D656-Q659 PolarHBondContact O-N 3.34Å; K657-Q659 VanDerWaalsContact C-N 3.34Å; Q659-T663 PolarHBondContact O-N 3.09Å; Q659-T663 PolarHBondContact O-OG1 3.02Å
660S74.6Confident69.7Low64 Ų64100.6 Ų100.645%0.44851%0.514SS..Hα-helixtrans-66.7-41.6172.9-174.30000112.4D656 T663 K664D656-S660 PolarHBondContact O-N 2.94Å; S660-T663 PolarHBondContact O-N 2.7Å; S660-K664 PolarHBondContact O-N 3.11Å
661N77.3Confident72.2Confident90 Ų9094.8 Ų94.848%0.48149%0.491SS..Hα-helixtrans-65.8-40.7175.7-75-13.7000112K657 E658 T663 K664 E665K657-N661 PolarHBondContact O-N 3.47Å; K657-N661 VanDerWaalsContact O-N 3.16Å; E658-N661 PolarHBondContact O-N 3.07Å; N661-T663 VanDerWaalsContact C-N 3.33Å; N661-T663 PolarHBondContact O-N 2.61Å; N661-K664 PolarHBondContact O-N 2.97Å; N661-E665 WeakPolarHBondContact O-CB 3.5Å; N661-E665 PolarHBondContact O-N 3.2Å
662W77.8Confident74.6Confident76 Ų7693.1 Ų93.129%0.28847%0.473SS..Hα-helixtrans-60.3-41.8175.7179.486.6000111.9E658 K664 E665 I666E658-W662 WeakPolarHBondContact O-CB 3.31Å; E658-W662 PolarHBondContact O-N 2.97Å; W662-K664 PolarHBondContact O-N 3Å; W662-E665 PolarHBondContact O-N 3.34Å; W662-I666 HydrophobicContact CD2-CD1 3.52Å; W662-I666 HydrophobicContact CD2-CG1 4.37Å; W662-I666 HydrophobicContact CE3-CD1 3.77Å; W662-I666 HydrophobicContact CG-CD1 4.31Å; W662-I666 HydrophobicContact CH2-CD1 3.29Å; W662-I666 HydrophobicContact CZ2-CD1 3.03Å; W662-I666 HydrophobicContact CZ2-CG1 4.43Å; W662-I666 HydrophobicContact CZ3-CD1 3.65Å; W662-I666 WeakPolarHBondContact O-CG1 3.23Å; W662-I666 PolarHBondContact O-N 2.88Å
663T79.9Confident76.5Confident77 Ų7787.3 Ų87.347%0.47244%0.442SS..Hα-helixtrans-62.1-43.8176.8-53.10000111.4Q659 S660 N661 Q667Q659-T663 PolarHBondContact O-N 3.09Å; Q659-T663 PolarHBondContact O-OG1 3.02Å; S660-T663 PolarHBondContact O-N 2.7Å; N661-T663 VanDerWaalsContact C-N 3.33Å; N661-T663 PolarHBondContact O-N 2.61Å; T663-Q667 WeakPolarHBondContact O-CB 3.45Å; T663-Q667 PolarHBondContact O-N 3.43Å
664K83.4Confident78.4Confident141 Ų14183 Ų8361%0.61343%0.425SS*.Hα-helixtrans-66.8-39.7175.6-69.9178.5-178174.80112.4S660 N661 W662 Q667 G668S660-K664 PolarHBondContact O-N 3.11Å; N661-K664 PolarHBondContact O-N 2.97Å; W662-K664 PolarHBondContact O-N 3Å; K664-Q667 PolarHBondContact O-N 3.2Å; K664-G668 PolarHBondContact O-N 2.69Å
665E82.8Confident79.8Confident63 Ų6387.8 Ų87.829%0.29444%0.435SS..Hα-helixtrans-63.9-45.4177.8-174.2174.3-133.900110.9N661 W662 G668 I669 Y689N661-E665 WeakPolarHBondContact O-CB 3.5Å; N661-E665 PolarHBondContact O-N 3.2Å; W662-E665 PolarHBondContact O-N 3.34Å; E665-G668 PolarHBondContact O-N 3.06Å; E665-I669 HydrophobicContact CG-CD1 3.88Å; E665-I669 HydrophobicContact CG-CG1 4.5Å; E665-I669 VanDerWaalsContact O-CG1 3.26Å; E665-I669 WeakPolarHBondContact O-CG1 3.34Å; E665-I669 PolarHBondContact O-N 3.29Å; E665-Y689 PolarHBondContact OE2-OH 3.43Å
666I84.6Confident80.3Confident21 Ų2192.9 Ų92.911%0.10845%0.445CS..Hα-helixtrans-64-42.7175.9-74.6178.4000112.1W662 G668 I669 S670 T684 V687W662-I666 HydrophobicContact CD2-CD1 3.52Å; W662-I666 HydrophobicContact CD2-CG1 4.37Å; W662-I666 HydrophobicContact CE3-CD1 3.77Å; W662-I666 HydrophobicContact CG-CD1 4.31Å; W662-I666 HydrophobicContact CH2-CD1 3.29Å; W662-I666 HydrophobicContact CZ2-CD1 3.03Å; W662-I666 HydrophobicContact CZ2-CG1 4.43Å; W662-I666 HydrophobicContact CZ3-CD1 3.65Å; W662-I666 WeakPolarHBondContact O-CG1 3.23Å; W662-I666 PolarHBondContact O-N 2.88Å; I666-G668 VanDerWaalsContact C-N 3.3Å; I666-G668 PolarHBondContact O-N 2.92Å; I666-I669 PolarHBondContact O-N 2.95Å; I666-S670 VanDerWaalsContact O-CB 3.29Å; I666-S670 WeakPolarHBondContact O-CB 3.43Å; I666-S670 PolarHBondContact O-N 3.42Å; I666-S670 PolarHBondContact O-OG 2.82Å; I666-T684 HydrophobicContact CD1-CG2 3.76Å; I666-T684 HydrophobicContact CG1-CG2 4.18Å; I666-T684 HydrophobicContact CG2-CG2 4.47Å; I666-V687 HydrophobicContact CD1-CG2 4.04Å; I666-V687 HydrophobicContact CG1-CG2 3.93Å
667Q84.8Confident81.1Confident111 Ų11190.4 Ų90.452%0.51943%0.428SS..Hα-helixtrans-60-46175.7-175.4176.6-2.700110.3T663 K664 S670 E671T663-Q667 WeakPolarHBondContact O-CB 3.45Å; T663-Q667 PolarHBondContact O-N 3.43Å; K664-Q667 PolarHBondContact O-N 3.2Å; Q667-S670 PolarHBondContact O-N 3.12Å; Q667-E671 HydrophobicContact CG-CG 4.49Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.41Å; Q667-E671 PolarHBondContact NE2-OE1 3.03Å; Q667-E671 WeakPolarHBondContact O-CB 3.5Å; Q667-E671 WeakPolarHBondContact O-CG 3.34Å; Q667-E671 PolarHBondContact O-N 3.12Å
668G86.3Confident81.9Confident37 Ų3785.1 Ų85.138%0.38142%0.42SS..Hα-helixtrans-60.8-44.7176.300000113.3K664 E665 I666 Q672K664-G668 PolarHBondContact O-N 2.69Å; E665-G668 PolarHBondContact O-N 3.06Å; I666-G668 VanDerWaalsContact C-N 3.3Å; I666-G668 PolarHBondContact O-N 2.92Å; G668-Q672 VanDerWaalsContact O-CB 3.32Å; G668-Q672 WeakPolarHBondContact O-CB 3.36Å; G668-Q672 PolarHBondContact O-N 3.4Å
669I84.3Confident82.8Confident16 Ų1684.1 Ų84.18%0.08242%0.416CS..Hα-helixtrans-65.1-45.9177.6-65.6164.9000110.6E665 I666 E671 Q672 Y673 P718 V720E665-I669 HydrophobicContact CG-CD1 3.88Å; E665-I669 HydrophobicContact CG-CG1 4.5Å; E665-I669 VanDerWaalsContact O-CG1 3.26Å; E665-I669 WeakPolarHBondContact O-CG1 3.34Å; E665-I669 PolarHBondContact O-N 3.29Å; I666-I669 PolarHBondContact O-N 2.95Å; I669-E671 PolarHBondContact O-N 3.2Å; I669-Q672 WeakPolarHBondContact O-CB 3.42Å; I669-Q672 PolarHBondContact O-N 3.23Å; I669-Y673 HydrophobicContact CG2-CD2 3.75Å; I669-Y673 HydrophobicContact CG2-CE2 3.65Å; I669-Y673 VanDerWaalsContact O-CD2 3.28Å; I669-Y673 WeakPolarHBondContact O-CD2 3.37Å; I669-Y673 PolarHBondContact O-N 3.31Å; I669-P718 HydrophobicContact CD1-CB 3.95Å; I669-P718 HydrophobicContact CD1-CG 3.97Å; I669-V720 HydrophobicContact CB-CG2 4.5Å; I669-V720 HydrophobicContact CG2-CG2 3.57Å
670S85.3Confident83.7Confident36 Ų3684.3 Ų84.325%0.25242%0.42SS..Hα-helixtrans-63.1-44.1-179.9-57.40000111.6I666 Q667 Q672 Y673 L674I666-S670 VanDerWaalsContact O-CB 3.29Å; I666-S670 WeakPolarHBondContact O-CB 3.43Å; I666-S670 PolarHBondContact O-N 3.42Å; I666-S670 PolarHBondContact O-OG 2.82Å; Q667-S670 PolarHBondContact O-N 3.12Å; S670-Q672 VanDerWaalsContact C-N 3.33Å; S670-Q672 PolarHBondContact O-N 3.08Å; S670-Y673 PolarHBondContact O-N 2.84Å; S670-L674 WeakPolarHBondContact O-CB 3.46Å; S670-L674 PolarHBondContact O-N 3.12Å
671E86.8Confident84Confident85 Ų8582.3 Ų82.340%0.39740%0.404SS..Hα-helixtrans-62.9-38.6174.3-76.5180-162.800111.9Q667 I669 R675Q667-E671 HydrophobicContact CG-CG 4.49Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.41Å; Q667-E671 PolarHBondContact NE2-OE1 3.03Å; Q667-E671 WeakPolarHBondContact O-CB 3.5Å; Q667-E671 WeakPolarHBondContact O-CG 3.34Å; Q667-E671 PolarHBondContact O-N 3.12Å; I669-E671 PolarHBondContact O-N 3.2Å; E671-R675 VanDerWaalsContact O-CB 3.27Å; E671-R675 WeakPolarHBondContact O-CB 3.42Å; E671-R675 WeakPolarHBondContact O-CG 3.43Å; E671-R675 PolarHBondContact O-N 3.33Å
672Q86Confident84.3Confident103 Ų10384.1 Ų84.148%0.48141%0.414SS..Hα-helixtrans-64.3-46.2176.2-177.7-178.7-10.100111.9G668 I669 S670 R676G668-Q672 VanDerWaalsContact O-CB 3.32Å; G668-Q672 WeakPolarHBondContact O-CB 3.36Å; G668-Q672 PolarHBondContact O-N 3.4Å; I669-Q672 WeakPolarHBondContact O-CB 3.42Å; I669-Q672 PolarHBondContact O-N 3.23Å; S670-Q672 VanDerWaalsContact C-N 3.33Å; S670-Q672 PolarHBondContact O-N 3.08Å; Q672-R676 VanDerWaalsContact O-CB 3.28Å; Q672-R676 WeakPolarHBondContact O-CB 3.47Å; Q672-R676 PolarHBondContact O-N 3.46Å
673Y85.3Confident84.5Confident31 Ų3188.6 Ų88.612%0.12244%0.438CS..Hα-helixtrans-64.4-41.6177.6-87.8-110.1000111.7I669 S670 K677 G678 I679 I681 T723I669-Y673 HydrophobicContact CG2-CD2 3.75Å; I669-Y673 HydrophobicContact CG2-CE2 3.65Å; I669-Y673 VanDerWaalsContact O-CD2 3.28Å; I669-Y673 WeakPolarHBondContact O-CD2 3.37Å; I669-Y673 PolarHBondContact O-N 3.31Å; S670-Y673 PolarHBondContact O-N 2.84Å; Y673-K677 HydrophobicContact CD1-CD 4.18Å; Y673-K677 HydrophobicContact CE1-CD 4.39Å; Y673-K677 CarbonylContact O-C 3.59Å; Y673-K677 VanDerWaalsContact O-CA 3.28Å; Y673-K677 WeakPolarHBondContact O-CA 3.32Å; Y673-K677 VanDerWaalsContact O-CB 3.25Å; Y673-K677 WeakPolarHBondContact O-CB 3.29Å; Y673-K677 PolarHBondContact O-N 3.42Å; Y673-G678 PolarHBondContact O-N 2.83Å; Y673-I679 CarbonylContact C-O 3.58Å; Y673-I679 HydrophobicContact CD1-CB 4.05Å; Y673-I679 HydrophobicContact CD1-CD1 4.05Å; Y673-I679 HydrophobicContact CD1-CG2 4.06Å; Y673-I679 HydrophobicContact CE1-CD1 4.48Å; Y673-I679 PolarHBondContact O-N 2.75Å; Y673-I679 VanDerWaalsContact O-N 3.1Å; Y673-I681 HydrophobicContact CD1-CD1 3.75Å; Y673-I681 HydrophobicContact CD1-CG1 4.17Å; Y673-I681 HydrophobicContact CD2-CD1 3.82Å; Y673-I681 HydrophobicContact CE1-CD1 4.16Å; Y673-I681 HydrophobicContact CE2-CD1 4.2Å; Y673-I681 HydrophobicContact CG-CD1 3.55Å; Y673-I681 HydrophobicContact CG-CG1 4.21Å; Y673-T723 HydrophobicContact CE1-CG2 3.9Å; Y673-T723 PolarHBondContact OH-OG1 3.42Å
674L86Confident84.6Confident97 Ų9785.5 Ų85.551%0.50842%0.419SS..Hα-helixtrans-66-55.7177.5-179.261.4000111.6S670 G678 I679 I680S670-L674 WeakPolarHBondContact O-CB 3.46Å; S670-L674 PolarHBondContact O-N 3.12Å; L674-G678 WeakPolarHBondContact O-CA 3.46Å; L674-G678 PolarHBondContact O-N 3.22Å; L674-G678 VanDerWaalsContact O-N 3.1Å; L674-I679 PolarHBondContact N-O 3.22Å; L674-I680 HydrophobicContact CD1-CG1 4.02Å
675R84.8Confident84.3Confident208 Ų20883.6 Ų83.679%0.78542%0.423SS*.Hα-helixtrans-73.6-31.6-172.2-67.5-173.4179.2-1502.8113.9E671E671-R675 VanDerWaalsContact O-CB 3.27Å; E671-R675 WeakPolarHBondContact O-CB 3.42Å; E671-R675 WeakPolarHBondContact O-CG 3.43Å; E671-R675 PolarHBondContact O-N 3.33Å
676R82.8Confident84.2Confident187 Ų18782.5 Ų82.571%0.70643%0.425SS*.Hα-helixtrans-104.3-22.9-177-63.7-165.5174.9-167.8-0.8114.5Q672Q672-R676 VanDerWaalsContact O-CB 3.28Å; Q672-R676 WeakPolarHBondContact O-CB 3.47Å; Q672-R676 PolarHBondContact O-N 3.46Å
677K84.4Confident83.9Confident86 Ų8682.7 Ų82.737%0.37443%0.427SS..Hα-helixtrans-122.2-6.3-175.4-61.6-171.2175.3-169.90113.6P15 Y673 I679P15-K677 VanDerWaalsContact CG-O 3.29Å; P15-K677 WeakPolarHBondContact CG-O 3.29Å; Y673-K677 HydrophobicContact CD1-CD 4.18Å; Y673-K677 HydrophobicContact CE1-CD 4.39Å; Y673-K677 CarbonylContact O-C 3.59Å; Y673-K677 VanDerWaalsContact O-CA 3.28Å; Y673-K677 WeakPolarHBondContact O-CA 3.32Å; Y673-K677 VanDerWaalsContact O-CB 3.25Å; Y673-K677 WeakPolarHBondContact O-CB 3.29Å; Y673-K677 PolarHBondContact O-N 3.42Å; K677-I679 HydrophobicContact CB-CD1 3.92Å; K677-I679 HydrophobicContact CB-CG1 4.06Å; K677-I679 HydrophobicContact CD-CD1 4.23Å; K677-I679 PolarHBondContact O-N 3.1Å
678G85.4Confident83.5Confident52 Ų5280 Ų8054%0.53642%0.418SS..  trans63.121.7-175.600000113.8Y673 L674Y673-G678 PolarHBondContact O-N 2.83Å; L674-G678 WeakPolarHBondContact O-CA 3.46Å; L674-G678 PolarHBondContact O-N 3.22Å; L674-G678 VanDerWaalsContact O-N 3.1Å
679I88.4Confident83.1Confident67 Ų6784 Ų8434%0.34442%0.423SS..  trans-102.3125.2-176.9-63.7170000109.8Y673 L674 K677 I681Y673-I679 CarbonylContact C-O 3.58Å; Y673-I679 HydrophobicContact CD1-CB 4.05Å; Y673-I679 HydrophobicContact CD1-CD1 4.05Å; Y673-I679 HydrophobicContact CD1-CG2 4.06Å; Y673-I679 HydrophobicContact CE1-CD1 4.48Å; Y673-I679 PolarHBondContact O-N 2.75Å; Y673-I679 VanDerWaalsContact O-N 3.1Å; L674-I679 PolarHBondContact N-O 3.22Å; K677-I679 HydrophobicContact CB-CD1 3.92Å; K677-I679 HydrophobicContact CB-CG1 4.06Å; K677-I679 HydrophobicContact CD-CD1 4.23Å; K677-I679 PolarHBondContact O-N 3.1Å; I679-I681 HydrophobicContact CG2-CG1 4.22Å
680I87.2Confident82.6Confident122 Ų12285.1 Ų85.163%0.62643%0.434SS*.  trans-95.7104.3174.1-52.7176.5000108.6L674 N682L674-I680 HydrophobicContact CD1-CG1 4.02Å; I680-N682 WeakPolarHBondContact CG2-OD1 3.24Å
681I81.6Confident82.2Confident22 Ų2287.5 Ų87.511%0.11344%0.441CS..  trans-75.3-26.5-178.1-63.8-176.8000112.4Y673 I679 V720 T723Y673-I681 HydrophobicContact CD1-CD1 3.75Å; Y673-I681 HydrophobicContact CD1-CG1 4.17Å; Y673-I681 HydrophobicContact CD2-CD1 3.82Å; Y673-I681 HydrophobicContact CE1-CD1 4.16Å; Y673-I681 HydrophobicContact CE2-CD1 4.2Å; Y673-I681 HydrophobicContact CG-CD1 3.55Å; Y673-I681 HydrophobicContact CG-CG1 4.21Å; I679-I681 HydrophobicContact CG2-CG1 4.22Å; I681-V720 HydrophobicContact CD1-CB 4.33Å; I681-V720 HydrophobicContact CD1-CG2 4.01Å; I681-V720 HydrophobicContact CG2-CG1 3.71Å; I681-T723 HydrophobicContact CD1-CG2 4.29Å; I681-T723 HydrophobicContact CG1-CG2 4.48Å
682N82Confident81.5Confident128 Ų12886.3 Ų86.368%0.68444%0.437SS*.  trans60.9-154.1-168.2-54.8-55.7000112.2I680 T684I680-N682 WeakPolarHBondContact CG2-OD1 3.24Å; N682-T684 PolarHBondContact O-N 3.48Å
683E82.1Confident80.9Confident170 Ų17084.9 Ų84.979%0.79443%0.432SS*.SBendtrans-65.4125.6-174.3-169.5176.7-17800111.9Q722E683-Q722 PolarHBondContact O-NE2 2.9Å
684T82.3Confident80.4Confident12 Ų1286.2 Ų86.27%0.07444%0.444CS..  trans-97.2107.7-177.8-63.70000111.5I666 N682 V687 V720I666-T684 HydrophobicContact CD1-CG2 3.76Å; I666-T684 HydrophobicContact CG1-CG2 4.18Å; I666-T684 HydrophobicContact CG2-CG2 4.47Å; N682-T684 PolarHBondContact O-N 3.48Å; T684-V687 HydrophobicContact CG2-CG2 4.07Å; T684-V720 HydrophobicContact CG2-CB 4.45Å; T684-V720 HydrophobicContact CG2-CG1 3.52Å; T684-V720 HydrophobicContact CG2-CG2 4.35Å
685S77.8Confident79.6Confident102 Ų10282.4 Ų82.471%0.71343%0.428SS*.  trans-85.4-24.3-180-43.90000113.9
686A79.7Confident78.9Confident40 Ų4075.8 Ų75.833%0.33140%0.403SS..  trans-151.5144.9-177.200000112.3Y721A686-Y721 HydrophobicContact CB-CG 4.34Å; A686-Y721 WeakPolarHBondContact O-CB 3.48Å; A686-Y721 PolarHBondContact O-N 3.07Å
687V78.3Confident78.6Confident24 Ų2472.9 Ų72.915%0.14540%0.395CS..EExtended strand (participates in β ladder)trans-120133.6172.9179.60000108.3I666 T684 Y689 P718 F719I666-V687 HydrophobicContact CD1-CG2 4.04Å; I666-V687 HydrophobicContact CG1-CG2 3.93Å; T684-V687 HydrophobicContact CG2-CG2 4.07Å; V687-Y689 HydrophobicContact CG1-CE2 4.19Å; V687-P718 HydrophobicContact CG1-CB 3.71Å; V687-F719 CarbonylContact C-O 3.51Å; V687-F719 WeakPolarHBondContact CA-O 3.45Å
688V77.3Confident78.2Confident55 Ų5572.4 Ų72.433%0.33339%0.392SS..EExtended strand (participates in β ladder)trans-108.7123.9177.3-178.30000108.8F719 Y721 I724V688-F719 PolarHBondContact N-O 2.96Å; V688-F719 PolarHBondContact O-N 3.39Å; V688-Y721 HydrophobicContact CG2-CD2 3.89Å; V688-I724 HydrophobicContact CB-CD1 3.48Å; V688-I724 VanDerWaalsContact CB-CD1 3.48Å; V688-I724 HydrophobicContact CG1-CD1 4.06Å; V688-I724 HydrophobicContact CG2-CD1 3.42Å; V688-I724 VanDerWaalsContact CG2-CD1 3.42Å
689Y77.3Confident77.7Confident122 Ų12274.9 Ų74.948%0.47839%0.389SS..EExtended strand (participates in β ladder)trans-91.1119.2173.9-64.5-88.2000109.3E665 V687 I716 L717 P718E665-Y689 PolarHBondContact OE2-OH 3.43Å; V687-Y689 HydrophobicContact CG1-CE2 4.19Å; Y689-I716 HydrophobicContact CD1-CG2 4.28Å; Y689-I716 HydrophobicContact CG-CG2 4.39Å; Y689-L717 CarbonylContact C-O 3.53Å; Y689-L717 WeakPolarHBondContact CA-O 3.37Å; Y689-P718 HydrophobicContact CD1-CB 3.97Å; Y689-P718 HydrophobicContact CE1-CB 3.72Å
690A73.6Confident76.9Confident38 Ų3875.3 Ų75.331%0.31439%0.392SS..EExtended strand (participates in β ladder)trans-129.9151-176.400000111.8L717 F719A690-L717 PolarHBondContact N-O 3.41Å; A690-L717 PolarHBondContact O-N 2.91Å; A690-F719 HydrophobicContact CB-CD2 3.92Å; A690-F719 HydrophobicContact CB-CE2 3.98Å
691Q77Confident76Confident86 Ų8671.1 Ų71.140%0.40237%0.373SS..EExtended strand (participates in β ladder)trans-98.7135.1170.5-68.1176.1-53.100108.9W712 S713 I716Q691-W712 HydrophobicContact CB-CB 4.18Å; Q691-W712 VanDerWaalsContact O-CE3 3.29Å; Q691-S713 WeakPolarHBondContact CB-O 3.43Å; Q691-S713 VanDerWaalsContact CD-O 3.3Å; Q691-S713 WeakPolarHBondContact CG-O 3.34Å; Q691-S713 PolarHBondContact NE2-O 2.86Å; Q691-S713 VanDerWaalsContact NE2-O 3.07Å; Q691-I716 HydrophobicContact CG-CG1 3.81Å
692L73.3Confident75.4Confident61 Ų6180.1 Ų80.132%0.31942%0.415SS..EExtended strand (participates in β ladder)trans-74.9143.5179.1-62.4179.5000110.9T694 W712 S713 L717 F719L692-T694 PolarHBondContact O-N 3.47Å; L692-W712 CarbonylContact O-C 3.58Å; L692-W712 WeakPolarHBondContact O-CA 3.31Å; L692-S713 WeakPolarHBondContact O-CB 3.16Å; L692-S713 PolarHBondContact O-N 3.47Å; L692-L717 HydrophobicContact CD1-CD1 3.74Å; L692-L717 HydrophobicContact CG-CD1 4.06Å; L692-F719 HydrophobicContact CD2-CZ 3.99Å
693L72.9Confident74.5Confident72 Ų7279.8 Ų79.838%0.37741%0.413SS..EExtended strand (participates in β ladder)trans-69.7122.8170.6-176.575.5000108.8K710 Q711 W712L693-K710 HydrophobicContact CD1-CB 3.63Å; L693-K710 HydrophobicContact CD1-CD 4.09Å; L693-K710 HydrophobicContact CD1-CG 3.84Å; L693-Q711 WeakPolarHBondContact CD1-O 3.5Å; L693-W712 HydrophobicContact CB-CE3 4.1Å; L693-W712 HydrophobicContact CB-CZ3 3.88Å; L693-W712 HydrophobicContact CD1-CD2 4.4Å; L693-W712 HydrophobicContact CD1-CE3 4.29Å; L693-W712 HydrophobicContact CD1-CH2 4.3Å; L693-W712 HydrophobicContact CD1-CZ2 4.39Å; L693-W712 HydrophobicContact CD1-CZ3 4.24Å
694T75.2Confident73.7Confident60 Ų6072.5 Ų72.537%0.36838%0.383SS..EExtended strand (participates in β ladder)trans-102.6-23.1-179.9510000112.7L692 Q711L692-T694 PolarHBondContact O-N 3.47Å; T694-Q711 PolarHBondContact N-O 3.24Å; T694-Q711 PolarHBondContact OG1-O 3.41Å
695G67.7Low72.9Confident17 Ų1775.5 Ų75.518%0.17540%0.397CS..EExtended strand (participates in β ladder)trans173.3-161.3-17800000112.5Q711G695-Q711 PolarHBondContact N-O 3.39Å; G695-Q711 PolarHBondContact O-N 2.9Å
696R71.3Confident72.6Confident69 Ų6971.2 Ų71.226%0.2637%0.366SS..EExtended strand (participates in β ladder)trans-139.7150.7175.4-61.2-177.2-178.3112.9-0.9109.7L708 E709 D732R696-L708 HydrophobicContact CB-CD1 3.61Å; R696-L708 HydrophobicContact CB-CD2 4.21Å; R696-L708 HydrophobicContact CB-CG 3.79Å; R696-L708 HydrophobicContact CG-CD2 4.48Å; R696-L708 HydrophobicContact CG-CG 4.37Å; R696-E709 CarbonylContact C-O 3.58Å; R696-E709 WeakPolarHBondContact CA-O 3.3Å; R696-E709 WeakPolarHBondContact CB-O 3.47Å; R696-D732 IonicContact CZ-OD2 3.39Å; R696-D732 IonicContact NH1-OD1 3.72Å; R696-D732 PolarHBondContact NH1-OD1 3.14Å; R696-D732 VanDerWaalsContact NH1-OD1 3.15Å; R696-D732 IonicContact NH1-OD2 2.98Å; R696-D732 PolarHBondContact NH1-OD2 3.39Å; R696-D732 IonicContact NH2-OD2 2.87Å; R696-D732 PolarHBondContact NH2-OD2 3.2Å
697K76.1Confident72.1Confident125 Ų12576.1 Ų76.154%0.54338%0.376SS..EExtended strand (participates in β ladder)trans-127.8135178.7175.2177.4176.8-175.70109.6Q699 E709 Q711K697-Q699 PolarHBondContact O-N 3.38Å; K697-E709 PolarHBondContact N-O 3.27Å; K697-E709 PolarHBondContact O-N 3.44Å; K697-Q711 HydrophobicContact CB-CG 3.93Å
698Y76.6Confident71.6Confident76 Ų7678.2 Ų78.230%0.29839%0.386SS..EExtended strand (participates in β ladder)trans-71126166.7-65.7-73.4000109.5V706 R707 L708 S736 I738 L744Y698-V706 HydrophobicContact CD1-CG1 3.59Å; Y698-V706 HydrophobicContact CG-CG1 4.08Å; Y698-R707 CarbonylContact C-O 3.57Å; Y698-R707 WeakPolarHBondContact CA-O 3.33Å; Y698-L708 HydrophobicContact CD1-CB 4.36Å; Y698-L708 HydrophobicContact CD1-CD1 3.75Å; Y698-L708 HydrophobicContact CD2-CD1 4.34Å; Y698-L708 HydrophobicContact CE1-CB 4.33Å; Y698-L708 HydrophobicContact CE1-CD1 3.67Å; Y698-L708 HydrophobicContact CE1-CG 4.45Å; Y698-L708 HydrophobicContact CE2-CD1 4.25Å; Y698-L708 HydrophobicContact CG-CD1 4.1Å; Y698-S736 WeakPolarHBondContact CE1-OG 3.44Å; Y698-S736 WeakPolarHBondContact OH-CB 3.34Å; Y698-S736 PolarHBondContact OH-OG 3.01Å; Y698-I738 HydrophobicContact CE1-CB 4.39Å; Y698-L744 HydrophobicContact CD1-CD1 4.43Å; Y698-L744 HydrophobicContact CD2-CD1 3.72Å; Y698-L744 HydrophobicContact CE2-CD1 4.14Å; Y698-L744 HydrophobicContact CG-CD1 3.88Å
699Q73.1Confident71.5Confident104 Ų10480.5 Ų80.549%0.48639%0.393SS..EExtended strand (participates in β ladder)trans-113.5126.1174.1-166.917741.300108.2K697 R707 E709K697-Q699 PolarHBondContact O-N 3.38Å; Q699-R707 PolarHBondContact N-O 2.91Å; Q699-R707 PolarHBondContact O-N 3.22Å; Q699-E709 PolarHBondContact OE1-OE2 2.86Å
700I73.3Confident71.3Confident77 Ų7780.1 Ų80.140%0.39539%0.394SS..EExtended strand (participates in β ladder)trans-91.9123.7178.6-52.5175.6000107.1V706 L741 L744 F745I700-V706 HydrophobicContact CG1-CG2 4.41Å; I700-L741 HydrophobicContact CD1-CD2 4.35Å; I700-L741 HydrophobicContact CD1-CG 4.3Å; I700-L741 HydrophobicContact CG2-CD1 3.72Å; I700-L741 HydrophobicContact CG2-CG 4.42Å; I700-L744 HydrophobicContact CD1-CD2 4.25Å; I700-L744 HydrophobicContact CG1-CD2 4.47Å; I700-F745 HydrophobicContact CD1-CE2 4.42Å
701S68.7Low71.4Confident33 Ų3382.4 Ų82.423%0.23140%0.398CS..  trans-77.3163.9174.462.10000111.5N703 G704 E705S701-N703 WeakPolarHBondContact CB-OD1 3.46Å; S701-N703 PolarHBondContact O-N 3.3Å; S701-N703 VanDerWaalsContact O-N 3.11Å; S701-N703 PolarHBondContact OG-OD1 2.84Å; S701-G704 PolarHBondContact O-N 2.94Å; S701-E705 WeakPolarHBondContact CB-O 3.46Å; S701-E705 PolarHBondContact N-O 3.42Å; S701-E705 WeakPolarHBondContact OG-CA 3.38Å; S701-E705 VanDerWaalsContact OG-CB 3.23Å; S701-E705 WeakPolarHBondContact OG-CB 3.45Å; S701-E705 PolarHBondContact OG-N 3.12Å; S701-E705 PolarHBondContact OG-O 3.2Å
702Q67Low71.4Confident212 Ų21284.7 Ų84.799%0.99140%0.403SS*.THydrogen-bonded Turntrans-61.9-20.2-179.7-68.2-179.5-10.200113.5
703N64.6Low71.5Confident120 Ų12083.1 Ų83.164%0.64240%0.398SS*.THydrogen-bonded Turntrans-9510.2176.653.6-50.4000113.5S701 E705S701-N703 WeakPolarHBondContact CB-OD1 3.46Å; S701-N703 PolarHBondContact O-N 3.3Å; S701-N703 VanDerWaalsContact O-N 3.11Å; S701-N703 PolarHBondContact OG-OD1 2.84Å; N703-E705 VanDerWaalsContact C-N 3.27Å; N703-E705 PolarHBondContact ND2-OE2 2.85Å; N703-E705 PolarHBondContact O-N 2.9Å
704G63.8Low71.9Confident17 Ų1789.3 Ų89.318%0.17542%0.421CS..SBendtrans79.10.7177.500000115.3S701S701-G704 PolarHBondContact O-N 2.94Å
705E66.8Low72Confident76 Ų7692.4 Ų92.436%0.35543%0.432SS..  trans-73.6129.8174.6-169-163.3147.400109.5S701 N703 R707S701-E705 WeakPolarHBondContact CB-O 3.46Å; S701-E705 PolarHBondContact N-O 3.42Å; S701-E705 WeakPolarHBondContact OG-CA 3.38Å; S701-E705 VanDerWaalsContact OG-CB 3.23Å; S701-E705 WeakPolarHBondContact OG-CB 3.45Å; S701-E705 PolarHBondContact OG-N 3.12Å; S701-E705 PolarHBondContact OG-O 3.2Å; N703-E705 VanDerWaalsContact C-N 3.27Å; N703-E705 PolarHBondContact ND2-OE2 2.85Å; N703-E705 PolarHBondContact O-N 2.9Å; E705-R707 IonicContact OE1-CZ 2.83Å; E705-R707 IonicContact OE1-NE 2.68Å; E705-R707 PolarHBondContact OE1-NE 2.95Å; E705-R707 IonicContact OE1-NH2 3.88Å; E705-R707 PolarHBondContact OE1-NH2 3.46Å; E705-R707 IonicContact OE2-CZ 2.79Å; E705-R707 IonicContact OE2-NE 3.22Å; E705-R707 IonicContact OE2-NH2 2.76Å; E705-R707 PolarHBondContact OE2-NH2 3.2Å
706V70.1Confident72.4Confident11 Ų1196.5 Ų96.57%0.06745%0.449CS..EExtended strand (participates in β ladder)trans-95.5125.4-179.1-1780000109.5Y698 I700 I738 K739 L744Y698-V706 HydrophobicContact CD1-CG1 3.59Å; Y698-V706 HydrophobicContact CG-CG1 4.08Å; I700-V706 HydrophobicContact CG1-CG2 4.41Å; V706-I738 HydrophobicContact CG1-CG2 4.42Å; V706-K739 PolarHBondContact N-O 3.39Å; V706-K739 VanDerWaalsContact N-O 3.13Å; V706-L744 HydrophobicContact CG1-CD2 4.34Å; V706-L744 HydrophobicContact CG2-CD2 4.44Å
707R70.9Confident72.9Confident143 Ų14395.6 Ų95.654%0.5445%0.448SS..EExtended strand (participates in β ladder)trans-121.2141.4177.4-65.3-173.7-1801667111.2Y698 Q699 E705Y698-R707 CarbonylContact C-O 3.57Å; Y698-R707 WeakPolarHBondContact CA-O 3.33Å; Q699-R707 PolarHBondContact N-O 2.91Å; Q699-R707 PolarHBondContact O-N 3.22Å; E705-R707 IonicContact OE1-CZ 2.83Å; E705-R707 IonicContact OE1-NE 2.68Å; E705-R707 PolarHBondContact OE1-NE 2.95Å; E705-R707 IonicContact OE1-NH2 3.88Å; E705-R707 PolarHBondContact OE1-NH2 3.46Å; E705-R707 IonicContact OE2-CZ 2.79Å; E705-R707 IonicContact OE2-NE 3.22Å; E705-R707 IonicContact OE2-NH2 2.76Å; E705-R707 PolarHBondContact OE2-NH2 3.2Å
708L67.5Low73.3Confident68 Ų6891.5 Ų91.536%0.35644%0.435SS..EExtended strand (participates in β ladder)trans-93.1111.3178.2-169.966.1000110.2R696 Y698R696-L708 HydrophobicContact CB-CD1 3.61Å; R696-L708 HydrophobicContact CB-CD2 4.21Å; R696-L708 HydrophobicContact CB-CG 3.79Å; R696-L708 HydrophobicContact CG-CD2 4.48Å; R696-L708 HydrophobicContact CG-CG 4.37Å; Y698-L708 HydrophobicContact CD1-CB 4.36Å; Y698-L708 HydrophobicContact CD1-CD1 3.75Å; Y698-L708 HydrophobicContact CD2-CD1 4.34Å; Y698-L708 HydrophobicContact CE1-CB 4.33Å; Y698-L708 HydrophobicContact CE1-CD1 3.67Å; Y698-L708 HydrophobicContact CE1-CG 4.45Å; Y698-L708 HydrophobicContact CE2-CD1 4.25Å; Y698-L708 HydrophobicContact CG-CD1 4.1Å
709E74.4Confident73.4Confident104 Ų10490.6 Ų90.649%0.48643%0.432SS..EExtended strand (participates in β ladder)trans-100.2143.6-179.9-163.1-178.3-172.900111.3R696 K697 Q699R696-E709 CarbonylContact C-O 3.58Å; R696-E709 WeakPolarHBondContact CA-O 3.3Å; R696-E709 WeakPolarHBondContact CB-O 3.47Å; K697-E709 PolarHBondContact N-O 3.27Å; K697-E709 PolarHBondContact O-N 3.44Å; Q699-E709 PolarHBondContact OE1-OE2 2.86Å
710K73.6Confident73.9Confident113 Ų11385.7 Ų85.749%0.49141%0.409SS..EExtended strand (participates in β ladder)trans-73.2134176-71.6179.7-179178.70110.7L693 W712L693-K710 HydrophobicContact CD1-CB 3.63Å; L693-K710 HydrophobicContact CD1-CD 4.09Å; L693-K710 HydrophobicContact CD1-CG 3.84Å; K710-W712 HydrophobicContact CB-CZ2 4.11Å; K710-W712 HydrophobicContact CD-CH2 4.3Å; K710-W712 HydrophobicContact CD-CZ2 3.77Å
711Q74.9Confident74.2Confident86 Ų8687.6 Ų87.640%0.40241%0.412SS..EExtended strand (participates in β ladder)trans-103.8132.8171.7-68.2-172.4-46.300110.7L693 T694 G695 K697L693-Q711 WeakPolarHBondContact CD1-O 3.5Å; T694-Q711 PolarHBondContact N-O 3.24Å; T694-Q711 PolarHBondContact OG1-O 3.41Å; G695-Q711 PolarHBondContact N-O 3.39Å; G695-Q711 PolarHBondContact O-N 2.9Å; K697-Q711 HydrophobicContact CB-CG 3.93Å
712W77.3Confident74.9Confident134 Ų13490.3 Ų90.351%0.50842%0.422SS..EExtended strand (participates in β ladder)trans-112.1148.1-176.6-55.897.3000110.9Q691 L692 L693 K710Q691-W712 HydrophobicContact CB-CB 4.18Å; Q691-W712 VanDerWaalsContact O-CE3 3.29Å; L692-W712 CarbonylContact O-C 3.58Å; L692-W712 WeakPolarHBondContact O-CA 3.31Å; L693-W712 HydrophobicContact CB-CE3 4.1Å; L693-W712 HydrophobicContact CB-CZ3 3.88Å; L693-W712 HydrophobicContact CD1-CD2 4.4Å; L693-W712 HydrophobicContact CD1-CE3 4.29Å; L693-W712 HydrophobicContact CD1-CH2 4.3Å; L693-W712 HydrophobicContact CD1-CZ2 4.39Å; L693-W712 HydrophobicContact CD1-CZ3 4.24Å; K710-W712 HydrophobicContact CB-CZ2 4.11Å; K710-W712 HydrophobicContact CD-CH2 4.3Å; K710-W712 HydrophobicContact CD-CZ2 3.77Å
713S76.7Confident75.5Confident29 Ų2982.6 Ų82.620%0.20339%0.389CS..EExtended strand (participates in β ladder)trans-59.5141.1171.3-1790000110.1Q691 L692 Q715Q691-S713 WeakPolarHBondContact CB-O 3.43Å; Q691-S713 VanDerWaalsContact CD-O 3.3Å; Q691-S713 WeakPolarHBondContact CG-O 3.34Å; Q691-S713 PolarHBondContact NE2-O 2.86Å; Q691-S713 VanDerWaalsContact NE2-O 3.07Å; L692-S713 WeakPolarHBondContact O-CB 3.16Å; L692-S713 PolarHBondContact O-N 3.47Å; S713-Q715 PolarHBondContact O-N 2.82Å; S713-Q715 PolarHBondContact OG-N 3.28Å; S713-Q715 VanDerWaalsContact OG-N 3.12Å
714K80.1Confident76.1Confident201 Ų20179.8 Ų79.887%0.87437%0.373SS*.EExtended strand (participates in β ladder)trans-66.8-25.5171.1-63.5-177.3-178.8177.80111.5
715Q77.9Confident76.5Confident126 Ų12684.2 Ų84.259%0.58940%0.396SS*.EExtended strand (participates in β ladder)trans-78.9129.2-179.5-168.517714.500111S713 L717S713-Q715 PolarHBondContact O-N 2.82Å; S713-Q715 PolarHBondContact OG-N 3.28Å; S713-Q715 VanDerWaalsContact OG-N 3.12Å; Q715-L717 HydrophobicContact CG-CD2 4.03Å; Q715-L717 HydrophobicContact CG-CG 4.41Å
716I76.6Confident76.8Confident103 Ų10386.9 Ų86.953%0.52841%0.407SS..EExtended strand (participates in β ladder)trans-95.4130.4174.1-59174.5000107.9Y689 Q691Y689-I716 HydrophobicContact CD1-CG2 4.28Å; Y689-I716 HydrophobicContact CG-CG2 4.39Å; Q691-I716 HydrophobicContact CG-CG1 3.81Å
717L80.4Confident76.8Confident49 Ų4991.4 Ų91.426%0.25743%0.431SS..EExtended strand (participates in β ladder)trans-122.3140.9-178.1-64.4176.1000111.2Y689 A690 L692 Q715 F719Y689-L717 CarbonylContact C-O 3.53Å; Y689-L717 WeakPolarHBondContact CA-O 3.37Å; A690-L717 PolarHBondContact N-O 3.41Å; A690-L717 PolarHBondContact O-N 2.91Å; L692-L717 HydrophobicContact CD1-CD1 3.74Å; L692-L717 HydrophobicContact CG-CD1 4.06Å; Q715-L717 HydrophobicContact CG-CD2 4.03Å; Q715-L717 HydrophobicContact CG-CG 4.41Å; L717-F719 HydrophobicContact CB-CE2 3.73Å; L717-F719 HydrophobicContact CB-CZ 4.06Å; L717-F719 WeakPolarHBondContact O-CD2 3.42Å; L717-F719 WeakPolarHBondContact O-CE2 3.19Å
718P84.2Confident76.4Confident39 Ų3990.5 Ų90.525%0.25344%0.435SS..EExtended strand (participates in β ladder)trans-80.4137.7175.531.9-34000111.8I669 V687 Y689I669-P718 HydrophobicContact CD1-CB 3.95Å; I669-P718 HydrophobicContact CD1-CG 3.97Å; V687-P718 HydrophobicContact CG1-CB 3.71Å; Y689-P718 HydrophobicContact CD1-CB 3.97Å; Y689-P718 HydrophobicContact CE1-CB 3.72Å
719F78.9Confident75.9Confident58 Ų5897.3 Ų97.325%0.25446%0.456SS..EExtended strand (participates in β ladder)trans-130.9133.1173.2-63.3-87.1000109.9V687 V688 A690 L692 L717 Y721 I724V687-F719 CarbonylContact C-O 3.51Å; V687-F719 WeakPolarHBondContact CA-O 3.45Å; V688-F719 PolarHBondContact N-O 2.96Å; V688-F719 PolarHBondContact O-N 3.39Å; A690-F719 HydrophobicContact CB-CD2 3.92Å; A690-F719 HydrophobicContact CB-CE2 3.98Å; L692-F719 HydrophobicContact CD2-CZ 3.99Å; L717-F719 HydrophobicContact CB-CE2 3.73Å; L717-F719 HydrophobicContact CB-CZ 4.06Å; L717-F719 WeakPolarHBondContact O-CD2 3.42Å; L717-F719 WeakPolarHBondContact O-CE2 3.19Å; F719-Y721 PolarHBondContact O-N 3.49Å; F719-I724 HydrophobicContact CB-CD1 4.11Å; F719-I724 HydrophobicContact CB-CG1 4.23Å
720V84.6Confident74.9Confident0 Ų096.5 Ų96.50%047%0.468CS..EExtended strand (participates in β ladder)trans-70.1131.8177-179.30000108.9I669 I681 T684 Q722 T723I669-V720 HydrophobicContact CB-CG2 4.5Å; I669-V720 HydrophobicContact CG2-CG2 3.57Å; I681-V720 HydrophobicContact CD1-CB 4.33Å; I681-V720 HydrophobicContact CD1-CG2 4.01Å; I681-V720 HydrophobicContact CG2-CG1 3.71Å; T684-V720 HydrophobicContact CG2-CB 4.45Å; T684-V720 HydrophobicContact CG2-CG1 3.52Å; T684-V720 HydrophobicContact CG2-CG2 4.35Å; V720-Q722 PolarHBondContact O-N 3Å; V720-Q722 VanDerWaalsContact O-N 3.15Å; V720-T723 HydrophobicContact CB-CG2 4.44Å; V720-T723 PolarHBondContact O-N 3.27Å; V720-T723 PolarHBondContact O-OG1 3.01Å
721Y79.8Confident73.8Confident117 Ų11798 Ų9846%0.45947%0.474SS..G310 helixtrans-56.4-37.6-171.4-179.6-101.1000113A686 V688 F719 T723 I724A686-Y721 HydrophobicContact CB-CG 4.34Å; A686-Y721 WeakPolarHBondContact O-CB 3.48Å; A686-Y721 PolarHBondContact O-N 3.07Å; V688-Y721 HydrophobicContact CG2-CD2 3.89Å; F719-Y721 PolarHBondContact O-N 3.49Å; Y721-T723 PolarHBondContact O-N 3.14Å; Y721-I724 WeakPolarHBondContact O-CB 3.24Å; Y721-I724 PolarHBondContact O-N 2.93Å; Y721-I724 VanDerWaalsContact O-N 3.13Å
722Q81.9Confident72.7Confident91 Ų9195.8 Ų95.843%0.42547%0.465SS..G310 helixtrans-63.9-20.1179.6-62.798-44.300114.1E683 V720E683-Q722 PolarHBondContact O-NE2 2.9Å; V720-Q722 PolarHBondContact O-N 3Å; V720-Q722 VanDerWaalsContact O-N 3.15Å
723T80.8Confident71.2Confident50 Ų5091 Ų9131%0.30745%0.452SS..G310 helixtrans-94.93.6179.269.10000112.8Y673 I681 V720 Y721Y673-T723 HydrophobicContact CE1-CG2 3.9Å; Y673-T723 PolarHBondContact OH-OG1 3.42Å; I681-T723 HydrophobicContact CD1-CG2 4.29Å; I681-T723 HydrophobicContact CG1-CG2 4.48Å; V720-T723 HydrophobicContact CB-CG2 4.44Å; V720-T723 PolarHBondContact O-N 3.27Å; V720-T723 PolarHBondContact O-OG1 3.01Å; Y721-T723 PolarHBondContact O-N 3.14Å
724I77.9Confident69.9Low61 Ų6196.1 Ų96.131%0.31347%0.467SS..  trans-93.9116.3-177.8-60174.2000110V688 F719 Y721V688-I724 HydrophobicContact CB-CD1 3.48Å; V688-I724 VanDerWaalsContact CB-CD1 3.48Å; V688-I724 HydrophobicContact CG1-CD1 4.06Å; V688-I724 HydrophobicContact CG2-CD1 3.42Å; V688-I724 VanDerWaalsContact CG2-CD1 3.42Å; F719-I724 HydrophobicContact CB-CD1 4.11Å; F719-I724 HydrophobicContact CB-CG1 4.23Å; Y721-I724 WeakPolarHBondContact O-CB 3.24Å; Y721-I724 PolarHBondContact O-N 2.93Å; Y721-I724 VanDerWaalsContact O-N 3.13Å
725V71.3Confident68.4Low109 Ų10994.4 Ų94.466%0.66146%0.46SS*.  trans-98.2132.4172.3-175.30000109.1I728V725-I728 HydrophobicContact CB-CD1 4.03Å; V725-I728 HydrophobicContact CB-CG1 4.27Å; V725-I728 HydrophobicContact CG1-CD1 3.9Å; V725-I728 HydrophobicContact CG1-CG1 3.65Å
726K73.8Confident67.1Low133 Ų13390.3 Ų90.358%0.57845%0.445SS*.  trans-104.4158.7177.9-62.3178-174171.20110.1I728K726-I728 VanDerWaalsContact C-N 3.28Å; K726-I728 PolarHBondContact O-N 3.47Å
727D69.9Low66.1Low105 Ų10592 Ų9256%0.56146%0.455SS*.SBendtrans57.532.7170.2-58.4-18.6000115.4K644 R729K644-D727 IonicContact NZ-OD2 3.23Å; K644-D727 PolarHBondContact NZ-OD2 3.28Å; D727-R729 PolarHBondContact O-N 3.48Å
728I62.1Low65.3Low124 Ų12492 Ų9264%0.63645%0.454SS*.  trans-63.9132.1172.1-56.4175.7000109.1V725 K726 A730V725-I728 HydrophobicContact CB-CD1 4.03Å; V725-I728 HydrophobicContact CB-CG1 4.27Å; V725-I728 HydrophobicContact CG1-CD1 3.9Å; V725-I728 HydrophobicContact CG1-CG1 3.65Å; K726-I728 VanDerWaalsContact C-N 3.28Å; K726-I728 PolarHBondContact O-N 3.47Å; I728-A730 PolarHBondContact O-N 3.03Å
729R56.2Low64.6Low212 Ų21297 Ų9780%0.847%0.472SS*.  trans-74109170.1-64.6-177.2-176.5-176.91.2108.2D727D727-R729 PolarHBondContact O-N 3.48Å
730A54.2Low64.3Low87 Ų8797.2 Ų97.272%0.71948%0.479SS*.  trans-108.2131.2175.800000110.1I728I728-A730 PolarHBondContact O-N 3.03Å
731F50.2Low63.8Low144 Ų14497.6 Ų97.663%0.63248%0.48SS*.  trans-76.3130.2168.9-179.1-99.7000109.2V640V640-F731 HydrophobicContact CG2-CD2 4.11Å; V640-F731 HydrophobicContact CG2-CE2 4.01Å
732D51.8Low63.6Low40 Ų4095.4 Ų95.421%0.21448%0.477CS..  trans-130.3101.4179.6-169.2-1.5000109.8R696 R734 F735R696-D732 IonicContact CZ-OD2 3.39Å; R696-D732 IonicContact NH1-OD1 3.72Å; R696-D732 PolarHBondContact NH1-OD1 3.14Å; R696-D732 VanDerWaalsContact NH1-OD1 3.15Å; R696-D732 IonicContact NH1-OD2 2.98Å; R696-D732 PolarHBondContact NH1-OD2 3.39Å; R696-D732 IonicContact NH2-OD2 2.87Å; R696-D732 PolarHBondContact NH2-OD2 3.2Å; D732-R734 PolarHBondContact O-N 3.34Å; D732-R734 WeakPolarHBondContact OD1-CB 3.39Å; D732-R734 PolarHBondContact OD1-N 3.23Å; D732-R734 VanDerWaalsContact OD1-N 3.13Å; D732-R734 IonicContact OD1-NE 3.84Å; D732-F735 HydrophobicContact CB-CD2 4.33Å; D732-F735 HydrophobicContact CB-CE2 4.29Å
733S45.2Very low63.3Low32 Ų3294.8 Ų94.822%0.22448%0.476CS..THydrogen-bonded Turntrans-73.3-9.4178.610.50000114E28 R78 F735E28-S733 PolarHBondContact OE2-OG 3.38Å; R78-S733 PolarHBondContact NH1-OG 3.06Å; S733-F735 VanDerWaalsContact C-N 3.3Å; S733-F735 PolarHBondContact O-N 3.43Å
734R49.3Very low63.1Low138 Ų13894.1 Ų94.152%0.52147%0.471SS..THydrogen-bonded Turntrans-92.219-174-65.3176.7-75.3-178.1-10113.4E28 D732 S736E28-R734 WeakPolarHBondContact OE1-CD 3.16Å; E28-R734 WeakPolarHBondContact OE1-CG 3.4Å; E28-R734 IonicContact OE1-CZ 2.84Å; E28-R734 IonicContact OE1-NE 3.83Å; E28-R734 PolarHBondContact OE1-NE 3.39Å; D732-R734 PolarHBondContact O-N 3.34Å; D732-R734 WeakPolarHBondContact OD1-CB 3.39Å; D732-R734 PolarHBondContact OD1-N 3.23Å; D732-R734 VanDerWaalsContact OD1-N 3.13Å; D732-R734 IonicContact OD1-NE 3.84Å; R734-S736 VanDerWaalsContact C-N 3.25Å; R734-S736 PolarHBondContact O-N 3.15Å
735F49.5Very low63.3Low165 Ų16593.7 Ų93.772%0.72447%0.467SS*.  trans-69.690.7162.3-85.9-83.8000108.2D732 S733D732-F735 HydrophobicContact CB-CD2 4.33Å; D732-F735 HydrophobicContact CB-CE2 4.29Å; S733-F735 VanDerWaalsContact C-N 3.3Å; S733-F735 PolarHBondContact O-N 3.43Å
736S50Low63.9Low40 Ų4091.1 Ų91.128%0.2845%0.452SS..  trans-68.8142.3167.877.30000108.8Y698 R734 I738Y698-S736 WeakPolarHBondContact CE1-OG 3.44Å; Y698-S736 WeakPolarHBondContact OH-CB 3.34Å; Y698-S736 PolarHBondContact OH-OG 3.01Å; R734-S736 VanDerWaalsContact C-N 3.25Å; R734-S736 PolarHBondContact O-N 3.15Å; S736-I738 PolarHBondContact O-N 2.72Å; S736-I738 WeakPolarHBondContact OG-CB 3.46Å; S736-I738 PolarHBondContact OG-N 3.13Å
737N55.8Low64.3Low139 Ų13987.9 Ų87.974%0.74345%0.445SS*.  trans-75.912.5168.1-71.3-31.6000111.8K739N737-K739 PolarHBondContact O-N 3.35Å; N737-K739 VanDerWaalsContact O-N 3.12Å
738I64.6Low64.9Low47 Ų4792.5 Ų92.524%0.24145%0.454CS..  trans-72.6104.5-178.7-61.1171000107.6Y698 V706 S736 D743 L744Y698-I738 HydrophobicContact CE1-CB 4.39Å; V706-I738 HydrophobicContact CG1-CG2 4.42Å; S736-I738 PolarHBondContact O-N 2.72Å; S736-I738 WeakPolarHBondContact OG-CB 3.46Å; S736-I738 PolarHBondContact OG-N 3.13Å; I738-D743 HydrophobicContact CB-CB 4.12Å; I738-D743 HydrophobicContact CG1-CB 4.22Å; I738-D743 HydrophobicContact CG2-CB 3.76Å; I738-L744 HydrophobicContact CD1-CD1 4.46Å; I738-L744 HydrophobicContact CG2-CB 3.83Å; I738-L744 HydrophobicContact CG2-CD1 3.88Å; I738-L744 HydrophobicContact CG2-CG 4.46Å
739K68.5Low66Low145 Ų14589 Ų8963%0.6344%0.439SS*.  trans-113.2-23.1-177.8-69.1176.3-176.61790111.7V706 N737 D743V706-K739 PolarHBondContact N-O 3.39Å; V706-K739 VanDerWaalsContact N-O 3.13Å; N737-K739 PolarHBondContact O-N 3.35Å; N737-K739 VanDerWaalsContact O-N 3.12Å; K739-D743 PolarHBondContact N-OD2 3.23Å; K739-D743 VanDerWaalsContact N-OD2 3.08Å
740T72.8Confident67.4Low63 Ų6383.4 Ų83.439%0.38742%0.423SS..SBendtrans-118.9163.7-174.570.10000111.8D742 D743 L744T740-D742 PolarHBondContact O-N 3.38Å; T740-D742 PolarHBondContact OG1-N 3.29Å; T740-D743 PolarHBondContact N-OD2 3.13Å; T740-D743 PolarHBondContact O-N 3.16Å; T740-D743 PolarHBondContact OG1-N 3.3Å; T740-D743 PolarHBondContact OG1-OD2 2.87Å; T740-L744 PolarHBondContact O-N 3.22Å
741L74.5Confident69.1Low7 Ų780.2 Ų80.24%0.03739%0.394CS..Hα-helixtrans-60.7-32.9172-112.2131.6000112.5I700 L744 F745 I777I700-L741 HydrophobicContact CD1-CD2 4.35Å; I700-L741 HydrophobicContact CD1-CG 4.3Å; I700-L741 HydrophobicContact CG2-CD1 3.72Å; I700-L741 HydrophobicContact CG2-CG 4.42Å; L741-L744 PolarHBondContact O-N 3.44Å; L741-F745 HydrophobicContact CD2-CD2 4.13Å; L741-F745 HydrophobicContact CD2-CE2 4.41Å; L741-F745 PolarHBondContact O-N 3.25Å; L741-I777 HydrophobicContact CD2-CG2 3.68Å
742D75.7Confident71Confident71 Ų7179.9 Ų79.938%0.3839%0.393SS..Hα-helixtrans-72.5-36.7-179-141.229.5000111.5T740 L744 F745 P746 I772T740-D742 PolarHBondContact O-N 3.38Å; T740-D742 PolarHBondContact OG1-N 3.29Å; D742-L744 VanDerWaalsContact C-N 3.26Å; D742-L744 PolarHBondContact O-N 3.27Å; D742-F745 CarbonylContact O-C 3.33Å; D742-P746 WeakPolarHBondContact O-CA 3.12Å; D742-I772 HydrophobicContact CB-CD1 4.13Å; D742-I772 VanDerWaalsContact CG-CD1 3.47Å; D742-I772 WeakPolarHBondContact OD1-CD1 3.29Å
743D74.8Confident72.8Confident78 Ų7880.7 Ų80.742%0.41740%0.396SS..Hα-helixtrans-64.7-32.5171.2-58.1-43.3000112I738 K739 T740I738-D743 HydrophobicContact CB-CB 4.12Å; I738-D743 HydrophobicContact CG1-CB 4.22Å; I738-D743 HydrophobicContact CG2-CB 3.76Å; K739-D743 PolarHBondContact N-OD2 3.23Å; K739-D743 VanDerWaalsContact N-OD2 3.08Å; T740-D743 PolarHBondContact N-OD2 3.13Å; T740-D743 PolarHBondContact O-N 3.16Å; T740-D743 PolarHBondContact OG1-N 3.3Å; T740-D743 PolarHBondContact OG1-OD2 2.87Å
744L76.2Confident74.8Confident37 Ų3785.7 Ų85.719%0.19442%0.42CS..Hα-helixtrans-81.7-31.9-177.2-168.370.1000111.8Y698 I700 V706 I738 T740 L741 D742Y698-L744 HydrophobicContact CD1-CD1 4.43Å; Y698-L744 HydrophobicContact CD2-CD1 3.72Å; Y698-L744 HydrophobicContact CE2-CD1 4.14Å; Y698-L744 HydrophobicContact CG-CD1 3.88Å; I700-L744 HydrophobicContact CD1-CD2 4.25Å; I700-L744 HydrophobicContact CG1-CD2 4.47Å; V706-L744 HydrophobicContact CG1-CD2 4.34Å; V706-L744 HydrophobicContact CG2-CD2 4.44Å; I738-L744 HydrophobicContact CD1-CD1 4.46Å; I738-L744 HydrophobicContact CG2-CB 3.83Å; I738-L744 HydrophobicContact CG2-CD1 3.88Å; I738-L744 HydrophobicContact CG2-CG 4.46Å; T740-L744 PolarHBondContact O-N 3.22Å; L741-L744 PolarHBondContact O-N 3.44Å; D742-L744 VanDerWaalsContact C-N 3.26Å; D742-L744 PolarHBondContact O-N 3.27Å
745F84Confident76.5Confident52 Ų5280.4 Ų80.423%0.22841%0.408CS..SBendtrans-132.868.7-178.8-59.9-71.2000111.6I700 L741 D742 V751 V765 I777I700-F745 HydrophobicContact CD1-CE2 4.42Å; L741-F745 HydrophobicContact CD2-CD2 4.13Å; L741-F745 HydrophobicContact CD2-CE2 4.41Å; L741-F745 PolarHBondContact O-N 3.25Å; D742-F745 CarbonylContact O-C 3.33Å; F745-V751 HydrophobicContact CD1-CG1 3.64Å; F745-V751 HydrophobicContact CE1-CG1 3.89Å; F745-V765 HydrophobicContact CB-CG1 4.36Å; F745-V765 HydrophobicContact CB-CG2 4.23Å; F745-V765 WeakPolarHBondContact O-CG1 3.37Å; F745-I777 HydrophobicContact CB-CD1 3.99Å; F745-I777 HydrophobicContact CB-CG2 4.22Å; F745-I777 HydrophobicContact CD1-CD1 3.9Å; F745-I777 HydrophobicContact CD2-CD1 3.78Å; F745-I777 HydrophobicContact CD2-CG2 4.25Å; F745-I777 HydrophobicContact CE1-CD1 4.27Å; F745-I777 HydrophobicContact CE2-CD1 4.15Å; F745-I777 HydrophobicContact CG-CD1 3.62Å; F745-I777 HydrophobicContact CZ-CD1 4.38Å
746P82.6Confident77.9Confident54 Ų5478.8 Ų78.835%0.35141%0.412SS..  trans-64.8151.5177.914.9-17.3000111.2D742 T749D742-P746 WeakPolarHBondContact O-CA 3.12Å; P746-T749 WeakPolarHBondContact CD-OG1 3.39Å; P746-T749 VanDerWaalsContact CG-OG1 3.27Å; P746-T749 WeakPolarHBondContact CG-OG1 3.41Å; P746-T749 WeakPolarHBondContact O-CB 3.21Å; P746-T749 PolarHBondContact O-N 3.43Å; P746-T749 VanDerWaalsContact O-N 3.15Å; P746-T749 PolarHBondContact O-OG1 3.34Å
747P83Confident79.4Confident66 Ų6681.7 Ų81.743%0.42943%0.43SS..THydrogen-bonded Turntrans-53.8144.2176.1-26.234.2000112.1T749P747-T749 PolarHBondContact O-N 3.01Å
748R82.2Confident80.9Confident201 Ų20180.1 Ų80.176%0.75841%0.414SS*.THydrogen-bonded Turntrans69.17.4-174.9-49.4-176.8175.7178.7-2.4115.7E764 V765R748-E764 WeakPolarHBondContact CA-OE1 3.16Å; R748-E764 WeakPolarHBondContact CB-OE1 3.43Å; R748-E764 WeakPolarHBondContact CG-OE1 3.34Å; R748-V765 PolarHBondContact N-O 3.28Å
749T85.3Confident82Confident50 Ų5085.1 Ų85.131%0.30743%0.431SS..  trans-76.5138173.1-48.50000109.8P746 P747 V765P746-T749 WeakPolarHBondContact CD-OG1 3.39Å; P746-T749 VanDerWaalsContact CG-OG1 3.27Å; P746-T749 WeakPolarHBondContact CG-OG1 3.41Å; P746-T749 WeakPolarHBondContact O-CB 3.21Å; P746-T749 PolarHBondContact O-N 3.43Å; P746-T749 VanDerWaalsContact O-N 3.15Å; P746-T749 PolarHBondContact O-OG1 3.34Å; P747-T749 PolarHBondContact O-N 3.01Å; T749-V765 WeakPolarHBondContact O-CG2 3.29Å; T749-V765 PolarHBondContact O-N 3.5Å
750M85.4Confident82.9Confident96 Ų9680.2 Ų80.247%0.47342%0.422SS..EExtended strand (participates in β ladder)trans-80.2130.3173.8-67.1-59.3-6200110.2T762 G763 E764M750-T762 HydrophobicContact CE-CG2 4.47Å; M750-G763 CarbonylContact C-O 3.59Å; M750-G763 WeakPolarHBondContact CA-O 3.33Å; M750-E764 HydrophobicContact SD-CB 4.1Å; M750-E764 HydrophobicContact SD-CG 4.44Å
751V89.4Confident83.6Confident19 Ų1977.6 Ų77.612%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-129.5163.7179.1-64.60000110.5F745 T762 G763 V765 V779F745-V751 HydrophobicContact CD1-CG1 3.64Å; F745-V751 HydrophobicContact CE1-CG1 3.89Å; V751-T762 CarbonylContact O-C 3.5Å; V751-T762 WeakPolarHBondContact O-CA 3.37Å; V751-G763 WeakPolarHBondContact CG2-O 3.36Å; V751-G763 PolarHBondContact N-O 3.36Å; V751-G763 PolarHBondContact O-N 2.93Å; V751-V765 HydrophobicContact CB-CG2 4.45Å; V751-V765 HydrophobicContact CG1-CG2 3.58Å; V751-V765 HydrophobicContact CG2-CG2 3.98Å; V751-V779 HydrophobicContact CG2-CB 4.41Å; V751-V779 HydrophobicContact CG2-CG1 3.49Å; V751-V779 VanDerWaalsContact CG2-CG1 3.49Å; V751-V779 HydrophobicContact CG2-CG2 3.98Å
752F91Very high84.3Confident138 Ų13879.6 Ų79.661%0.60542%0.418SS*.EExtended strand (participates in β ladder)trans-117.6136.9176.1-67.7-95.5000110C761 T762F752-C761 WeakPolarHBondContact CA-O 3.46Å; F752-T762 HydrophobicContact CD1-CG2 3.7Å; F752-T762 HydrophobicContact CE1-CG2 3.2Å; F752-T762 HydrophobicContact CE2-CG2 4.44Å; F752-T762 HydrophobicContact CZ-CG2 3.63Å
753M88.9Confident85Confident57 Ų5776.2 Ų76.228%0.28140%0.401SS..  trans-76.1129.8176.7-178.555.2165.700110.8G755 Y758 Y759 G760 C761 F781M753-G755 WeakPolarHBondContact CG-O 3.31Å; M753-Y758 VanDerWaalsContact CB-O 3.26Å; M753-Y758 WeakPolarHBondContact CB-O 3.39Å; M753-Y758 WeakPolarHBondContact CG-O 3.34Å; M753-Y759 CarbonylContact O-C 3.38Å; M753-Y759 WeakPolarHBondContact O-CA 3.49Å; M753-G760 PolarHBondContact O-N 3.35Å; M753-C761 PolarHBondContact N-O 3.06Å; M753-F781 HydrophobicContact CB-CD1 4.17Å; M753-F781 HydrophobicContact CB-CE1 3.56Å; M753-F781 HydrophobicContact CB-CE2 4.5Å; M753-F781 HydrophobicContact CB-CZ 3.74Å; M753-F781 HydrophobicContact CG-CZ 4.26Å; M753-F781 HydrophobicContact SD-CE2 4.4Å; M753-F781 HydrophobicContact SD-CZ 4.07Å
754L88.4Confident85.8Confident137 Ų13776 Ų7672%0.71740%0.397SS*.  trans-106.22.4176-61.8178.4000113.1Y759L754-Y759 HydrophobicContact CB-CE2 4.48Å; L754-Y759 HydrophobicContact CD2-CE2 4.14Å; L754-Y759 VanDerWaalsContact O-CD2 3.32Å; L754-Y759 WeakPolarHBondContact O-CD2 3.44Å
755G83.6Confident86.4Confident27 Ų2774.3 Ų74.328%0.27839%0.388SS..SBendtrans-106.6156.9178.700000112.9M753 Y758 Y759M753-G755 WeakPolarHBondContact CG-O 3.31Å; G755-Y758 CarbonylContact O-C 3.56Å; G755-Y758 PolarHBondContact O-N 2.93Å; G755-Y759 PolarHBondContact O-N 3.35Å; G755-Y759 VanDerWaalsContact O-N 3.15Å
756T80.3Confident86.6Confident130 Ų13075.2 Ų75.280%0.79839%0.393SS*.SBendtrans-77.9146.6172.444.40000111.1
757P80.9Confident86.5Confident102 Ų10278.1 Ų78.166%0.66241%0.406SS*.SBendcis-88.4-9.7634.2-34.9000115.4Y759P757-Y759 VanDerWaalsContact C-N 3.35Å; P757-Y759 PolarHBondContact O-N 3.46Å
758Y86.7Confident86.3Confident105 Ų10575 Ų7541%0.41239%0.386SS..SBendtrans-95.233-169.3-51-63.6000114.1M753 G755 G760 C761 I783M753-Y758 VanDerWaalsContact CB-O 3.26Å; M753-Y758 WeakPolarHBondContact CB-O 3.39Å; M753-Y758 WeakPolarHBondContact CG-O 3.34Å; G755-Y758 CarbonylContact O-C 3.56Å; G755-Y758 PolarHBondContact O-N 2.93Å; Y758-G760 PolarHBondContact O-N 3.24Å; Y758-C761 VanDerWaalsContact O-CB 3.27Å; Y758-C761 WeakPolarHBondContact O-CB 3.09Å; Y758-C761 PolarHBondContact O-N 3.21Å; Y758-C761 PolarHBondContact O-SG 3.01Å; Y758-I783 HydrophobicContact CD1-CD1 3.81Å; Y758-I783 HydrophobicContact CD1-CG1 3.99Å; Y758-I783 HydrophobicContact CD1-CG2 4.36Å; Y758-I783 HydrophobicContact CE1-CD1 3.47Å; Y758-I783 VanDerWaalsContact CE1-CD1 3.47Å; Y758-I783 HydrophobicContact CE1-CG1 4.17Å
759Y87.9Confident85.9Confident153 Ų15368 Ų6860%0.638%0.375SS*.THydrogen-bonded Turntrans-56.2128.1-176.2-177.8-88.1000111.1M753 L754 G755 P757 C761M753-Y759 CarbonylContact O-C 3.38Å; M753-Y759 WeakPolarHBondContact O-CA 3.49Å; L754-Y759 HydrophobicContact CB-CE2 4.48Å; L754-Y759 HydrophobicContact CD2-CE2 4.14Å; L754-Y759 VanDerWaalsContact O-CD2 3.32Å; L754-Y759 WeakPolarHBondContact O-CD2 3.44Å; G755-Y759 PolarHBondContact O-N 3.35Å; G755-Y759 VanDerWaalsContact O-N 3.15Å; P757-Y759 VanDerWaalsContact C-N 3.35Å; P757-Y759 PolarHBondContact O-N 3.46Å; Y759-C761 VanDerWaalsContact C-N 3.31Å; Y759-C761 PolarHBondContact O-N 3.17Å
760G86.5Confident85.3Confident42 Ų4270 Ų7043%0.43338%0.384SS..THydrogen-bonded Turntrans83.7-8.6-178.500000115.4M753 Y758M753-G760 PolarHBondContact O-N 3.35Å; Y758-G760 PolarHBondContact O-N 3.24Å
761C88.5Confident84.6Confident7 Ų767.3 Ų67.35%0.04737%0.372CS..  trans-65.7138.3176.1-67.50000111.1F752 M753 Y758 Y759 F781F752-C761 WeakPolarHBondContact CA-O 3.46Å; M753-C761 PolarHBondContact N-O 3.06Å; Y758-C761 VanDerWaalsContact O-CB 3.27Å; Y758-C761 WeakPolarHBondContact O-CB 3.09Å; Y758-C761 PolarHBondContact O-N 3.21Å; Y758-C761 PolarHBondContact O-SG 3.01Å; Y759-C761 VanDerWaalsContact C-N 3.31Å; Y759-C761 PolarHBondContact O-N 3.17Å; C761-F781 HydrophobicContact CB-CD1 4.4Å
762T89.8Confident83.6Confident49 Ų4968.2 Ų68.230%0.30138%0.376SS..EExtended strand (participates in β ladder)trans-79.6141.5173.841.20000110.6M750 V751 F752 F781 S782M750-T762 HydrophobicContact CE-CG2 4.47Å; V751-T762 CarbonylContact O-C 3.5Å; V751-T762 WeakPolarHBondContact O-CA 3.37Å; F752-T762 HydrophobicContact CD1-CG2 3.7Å; F752-T762 HydrophobicContact CE1-CG2 3.2Å; F752-T762 HydrophobicContact CE2-CG2 4.44Å; F752-T762 HydrophobicContact CZ-CG2 3.63Å; T762-F781 WeakPolarHBondContact O-CA 3.26Å; T762-S782 PolarHBondContact O-N 2.82Å
763G89.4Confident82.4Confident1 Ų168 Ų681%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-145.3157.5174.900000112.7M750 V751 V780M750-G763 CarbonylContact C-O 3.59Å; M750-G763 WeakPolarHBondContact CA-O 3.33Å; V751-G763 WeakPolarHBondContact CG2-O 3.36Å; V751-G763 PolarHBondContact N-O 3.36Å; V751-G763 PolarHBondContact O-N 2.93Å; G763-V780 CarbonylContact C-O 3.55Å; G763-V780 WeakPolarHBondContact CA-O 3.31Å
764E90.8Very high81.5Confident74 Ų7470.6 Ų70.635%0.34640%0.397SS..EExtended strand (participates in β ladder)trans-104.5125.7178.2-171.4-178.4159.600109.9R748 M750 Q766 V779 V780R748-E764 WeakPolarHBondContact CA-OE1 3.16Å; R748-E764 WeakPolarHBondContact CB-OE1 3.43Å; R748-E764 WeakPolarHBondContact CG-OE1 3.34Å; M750-E764 HydrophobicContact SD-CB 4.1Å; M750-E764 HydrophobicContact SD-CG 4.44Å; E764-Q766 PolarHBondContact O-N 2.84Å; E764-V779 WeakPolarHBondContact O-CA 3.47Å; E764-V780 PolarHBondContact N-O 3.32Å; E764-V780 PolarHBondContact O-N 3.48Å
765V88.9Confident80.7Confident1 Ų165.8 Ų65.81%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-66.1128.6176.4-1790000109.6F745 R748 T749 V751 V779F745-V765 HydrophobicContact CB-CG1 4.36Å; F745-V765 HydrophobicContact CB-CG2 4.23Å; F745-V765 WeakPolarHBondContact O-CG1 3.37Å; R748-V765 PolarHBondContact N-O 3.28Å; T749-V765 WeakPolarHBondContact O-CG2 3.29Å; T749-V765 PolarHBondContact O-N 3.5Å; V751-V765 HydrophobicContact CB-CG2 4.45Å; V751-V765 HydrophobicContact CG1-CG2 3.58Å; V751-V765 HydrophobicContact CG2-CG2 3.98Å; V765-V779 HydrophobicContact CG2-CG2 4.24Å
766Q88Confident80.6Confident71 Ų7171.7 Ų71.733%0.33240%0.395SS..PPolyproline II helixtrans-97.2168175.4-62.6-60.8-43.700110.7E764 S768 R778 V780E764-Q766 PolarHBondContact O-N 2.84Å; Q766-S768 PolarHBondContact O-N 2.89Å; Q766-S768 VanDerWaalsContact O-N 3.16Å; Q766-S768 PolarHBondContact O-OG 2.67Å; Q766-R778 HydrophobicContact CB-CB 4.2Å; Q766-R778 HydrophobicContact CB-CG 4.13Å; Q766-R778 PolarHBondContact N-O 3.37Å; Q766-V780 HydrophobicContact CG-CB 4.47Å; Q766-V780 HydrophobicContact CG-CG2 3.6Å
767D81.5Confident80.8Confident114 Ų11467.9 Ų67.961%0.6137%0.369SS*.PPolyproline II helixtrans-55.2123.2170-173.37.9000110.1G769D767-G769 PolarHBondContact OD1-N 3.13Å
768S79.3Confident81.2Confident2 Ų268.4 Ų68.41%0.01436%0.358CS..  trans-125.516.5-171.4-58.40000112Q766 D770 L771 I772 R778Q766-S768 PolarHBondContact O-N 2.89Å; Q766-S768 VanDerWaalsContact O-N 3.16Å; Q766-S768 PolarHBondContact O-OG 2.67Å; S768-D770 PolarHBondContact O-N 2.65Å; S768-L771 PolarHBondContact O-N 2.93Å; S768-I772 WeakPolarHBondContact O-CD1 3.39Å; S768-I772 VanDerWaalsContact O-CG1 3.22Å; S768-I772 WeakPolarHBondContact O-CG1 3.44Å; S768-I772 PolarHBondContact O-N 3.48Å; S768-I772 VanDerWaalsContact O-N 3.1Å; S768-R778 PolarHBondContact OG-N 3.27Å
769G72.9Confident81.3Confident52 Ų5264.9 Ų64.954%0.53635%0.347SS..THydrogen-bonded Turntrans-49.6-29.2-178.100000115.2D767D767-G769 PolarHBondContact OD1-N 3.13Å
770D73.5Confident81.4Confident93 Ų9361.8 Ų61.850%0.49734%0.344SS..THydrogen-bonded Turntrans-81.6-21.7178.759.6-23.9000114.6S768 R778S768-D770 PolarHBondContact O-N 2.65Å; D770-R778 IonicContact OD1-NH2 2.79Å; D770-R778 PolarHBondContact OD1-NH2 3.43Å; D770-R778 IonicContact OD2-CZ 3.47Å; D770-R778 IonicContact OD2-NH2 3.43Å; D770-R778 PolarHBondContact OD2-NH2 3.47Å
771L70.8Confident81.4Confident39 Ų3962.8 Ų62.820%0.20434%0.337CS..THydrogen-bonded Turntrans-113.5-14-170.3-69.1167000113.7S768 T773 E774 G775 R776S768-L771 PolarHBondContact O-N 2.93Å; L771-T773 VanDerWaalsContact C-N 3.29Å; L771-T773 PolarHBondContact O-N 3.31Å; L771-E774 WeakPolarHBondContact O-CB 3.47Å; L771-E774 PolarHBondContact O-N 3.44Å; L771-G775 PolarHBondContact O-N 2.83Å; L771-R776 CarbonylContact C-O 3.6Å; L771-R776 HydrophobicContact CB-CB 4.28Å; L771-R776 PolarHBondContact O-N 2.89Å
772I68.7Low81.1Confident39 Ų3966.2 Ų66.220%0.236%0.361CS..G310 helixtrans-62-35.3-178.5-73.8156.2000112D742 S768 E774 G775D742-I772 HydrophobicContact CB-CD1 4.13Å; D742-I772 VanDerWaalsContact CG-CD1 3.47Å; D742-I772 WeakPolarHBondContact OD1-CD1 3.29Å; S768-I772 WeakPolarHBondContact O-CD1 3.39Å; S768-I772 VanDerWaalsContact O-CG1 3.22Å; S768-I772 WeakPolarHBondContact O-CG1 3.44Å; S768-I772 PolarHBondContact O-N 3.48Å; S768-I772 VanDerWaalsContact O-N 3.1Å; I772-E774 PolarHBondContact O-N 3.11Å; I772-G775 PolarHBondContact O-N 3Å
773T65.8Low80.9Confident132 Ų13268.7 Ų68.781%0.8137%0.371SS*.G310 helixtrans-65.1-18.7175.949.90000113.3L771L771-T773 VanDerWaalsContact C-N 3.29Å; L771-T773 PolarHBondContact O-N 3.31Å
774E69.3Low80.4Confident112 Ų11272.1 Ų72.152%0.52339%0.393SS..G310 helixtrans-98.96175.3-54.5-176.2164.200112.4L771 I772 R776L771-E774 WeakPolarHBondContact O-CB 3.47Å; L771-E774 PolarHBondContact O-N 3.44Å; I772-E774 PolarHBondContact O-N 3.11Å; E774-R776 VanDerWaalsContact C-N 3.34Å; E774-R776 IonicContact OE2-CZ 3.03Å; E774-R776 IonicContact OE2-NE 3.86Å; E774-R776 PolarHBondContact OE2-NE 3.5Å; E774-R776 IonicContact OE2-NH2 3.88Å; E774-R776 PolarHBondContact OE2-NH2 3.43Å
775G71.2Confident79.8Confident37 Ų3772.3 Ų72.338%0.38140%0.401SS..THydrogen-bonded Turntrans7321.8-179.200000114.4L771 I772L771-G775 PolarHBondContact O-N 2.83Å; I772-G775 PolarHBondContact O-N 3Å
776R81.6Confident79.4Confident150 Ų15079.2 Ų79.257%0.56643%0.434SS*.  trans-117.8149.4-175.6-66.4-169.2-86.9-170.1-6.9111.7L771 E774L771-R776 CarbonylContact C-O 3.6Å; L771-R776 HydrophobicContact CB-CB 4.28Å; L771-R776 PolarHBondContact O-N 2.89Å; E774-R776 VanDerWaalsContact C-N 3.34Å; E774-R776 IonicContact OE2-CZ 3.03Å; E774-R776 IonicContact OE2-NE 3.86Å; E774-R776 PolarHBondContact OE2-NE 3.5Å; E774-R776 IonicContact OE2-NH2 3.88Å; E774-R776 PolarHBondContact OE2-NH2 3.43Å
777I85.5Confident79.3Confident51 Ų5178.1 Ų78.126%0.26243%0.433SS..  trans-121.8149.3173.460.9171.8000110.1L741 F745 V779L741-I777 HydrophobicContact CD2-CG2 3.68Å; F745-I777 HydrophobicContact CB-CD1 3.99Å; F745-I777 HydrophobicContact CB-CG2 4.22Å; F745-I777 HydrophobicContact CD1-CD1 3.9Å; F745-I777 HydrophobicContact CD2-CD1 3.78Å; F745-I777 HydrophobicContact CD2-CG2 4.25Å; F745-I777 HydrophobicContact CE1-CD1 4.27Å; F745-I777 HydrophobicContact CE2-CD1 4.15Å; F745-I777 HydrophobicContact CG-CD1 3.62Å; F745-I777 HydrophobicContact CZ-CD1 4.38Å; I777-V779 HydrophobicContact CD1-CG2 3.87Å; I777-V779 HydrophobicContact CG1-CG2 4.05Å
778R88.2Confident79.5Confident113 Ų11377.7 Ų77.743%0.42643%0.43SS..  trans-96.4129.5173.8-169.6178-63.4155.47.2109Q766 S768 D770Q766-R778 HydrophobicContact CB-CB 4.2Å; Q766-R778 HydrophobicContact CB-CG 4.13Å; Q766-R778 PolarHBondContact N-O 3.37Å; S768-R778 PolarHBondContact OG-N 3.27Å; D770-R778 IonicContact OD1-NH2 2.79Å; D770-R778 PolarHBondContact OD1-NH2 3.43Å; D770-R778 IonicContact OD2-CZ 3.47Å; D770-R778 IonicContact OD2-NH2 3.43Å; D770-R778 PolarHBondContact OD2-NH2 3.47Å
779V88.3Confident80Confident31 Ų3179.9 Ų79.919%0.18844%0.442CS..EExtended strand (participates in β ladder)trans-134.8134.8-179.2-175.20000108.8V751 E764 V765 I777 F781V751-V779 HydrophobicContact CG2-CB 4.41Å; V751-V779 HydrophobicContact CG2-CG1 3.49Å; V751-V779 VanDerWaalsContact CG2-CG1 3.49Å; V751-V779 HydrophobicContact CG2-CG2 3.98Å; E764-V779 WeakPolarHBondContact O-CA 3.47Å; V765-V779 HydrophobicContact CG2-CG2 4.24Å; I777-V779 HydrophobicContact CD1-CG2 3.87Å; I777-V779 HydrophobicContact CG1-CG2 4.05Å; V779-F781 HydrophobicContact CB-CD2 4.45Å; V779-F781 HydrophobicContact CB-CE2 3.86Å; V779-F781 HydrophobicContact CB-CZ 3.92Å; V779-F781 HydrophobicContact CG1-CD1 4.17Å; V779-F781 HydrophobicContact CG1-CD2 4.23Å; V779-F781 HydrophobicContact CG1-CE1 3.74Å; V779-F781 HydrophobicContact CG1-CE2 3.85Å; V779-F781 HydrophobicContact CG1-CG 4.39Å; V779-F781 HydrophobicContact CG1-CZ 3.57Å
780V90.4Very high80.7Confident87 Ų8782.1 Ų82.153%0.52744%0.441SS..EExtended strand (participates in β ladder)trans-97.5110.7171174.50000107.7G763 E764 Q766G763-V780 CarbonylContact C-O 3.55Å; G763-V780 WeakPolarHBondContact CA-O 3.31Å; E764-V780 PolarHBondContact N-O 3.32Å; E764-V780 PolarHBondContact O-N 3.48Å; Q766-V780 HydrophobicContact CG-CB 4.47Å; Q766-V780 HydrophobicContact CG-CG2 3.6Å
781F86.6Confident81.3Confident64 Ų6480.6 Ų80.628%0.28144%0.442SS..EExtended strand (participates in β ladder)trans-87.2137.3179.2-70.3-73.6000111.6M753 C761 T762 V779M753-F781 HydrophobicContact CB-CD1 4.17Å; M753-F781 HydrophobicContact CB-CE1 3.56Å; M753-F781 HydrophobicContact CB-CE2 4.5Å; M753-F781 HydrophobicContact CB-CZ 3.74Å; M753-F781 HydrophobicContact CG-CZ 4.26Å; M753-F781 HydrophobicContact SD-CE2 4.4Å; M753-F781 HydrophobicContact SD-CZ 4.07Å; C761-F781 HydrophobicContact CB-CD1 4.4Å; T762-F781 WeakPolarHBondContact O-CA 3.26Å; V779-F781 HydrophobicContact CB-CD2 4.45Å; V779-F781 HydrophobicContact CB-CE2 3.86Å; V779-F781 HydrophobicContact CB-CZ 3.92Å; V779-F781 HydrophobicContact CG1-CD1 4.17Å; V779-F781 HydrophobicContact CG1-CD2 4.23Å; V779-F781 HydrophobicContact CG1-CE1 3.74Å; V779-F781 HydrophobicContact CG1-CE2 3.85Å; V779-F781 HydrophobicContact CG1-CG 4.39Å; V779-F781 HydrophobicContact CG1-CZ 3.57Å
782S83.6Confident82.1Confident79 Ų7979.7 Ų79.755%0.55244%0.437SS*.  trans-90117.9162.6-177.30000107.7T762 P784T762-S782 PolarHBondContact O-N 2.82Å; S782-P784 VanDerWaalsContact O-CD 3.24Å; S782-P784 WeakPolarHBondContact O-CD 3.44Å
783I83.9Confident82.9Confident100 Ų10082.9 Ų82.951%0.51345%0.453SS..  trans-98.4104.3-178.7-58.8165.1000107.5Y758Y758-I783 HydrophobicContact CD1-CD1 3.81Å; Y758-I783 HydrophobicContact CD1-CG1 3.99Å; Y758-I783 HydrophobicContact CD1-CG2 4.36Å; Y758-I783 HydrophobicContact CE1-CD1 3.47Å; Y758-I783 VanDerWaalsContact CE1-CD1 3.47Å; Y758-I783 HydrophobicContact CE1-CG1 4.17Å
784P79Confident84Confident73 Ų7383.6 Ų83.647%0.47445%0.447SS..PPolyproline II helixtrans-70.2152.9175.430.6-34000110.5S782 E786S782-P784 VanDerWaalsContact O-CD 3.24Å; S782-P784 WeakPolarHBondContact O-CD 3.44Å; P784-E786 PolarHBondContact O-N 3.1Å
785C78.9Confident84.8Confident78 Ų7880.5 Ų80.553%0.52744%0.435SS..PPolyproline II helixtrans-74.1123.8167.6-168.50000108.8C959C785-C959 PolarHBondContact O-SG 2.94Å
786E80.8Confident85.4Confident146 Ų14682.1 Ų82.168%0.68243%0.432SS*.PPolyproline II helixtrans-92.6138.3175.9-67.1-171.8175.400110.9P784 N788P784-E786 PolarHBondContact O-N 3.1Å; E786-N788 PolarHBondContact O-N 3.25Å
787P85.8Confident85.5Confident48 Ų4880.9 Ų80.931%0.31243%0.433SS..PPolyproline II helixtrans-66133.6176.628.2-34.1000110.5L789 V956 C959P787-L789 HydrophobicContact CB-CD2 4.48Å; P787-L789 PolarHBondContact O-N 3.1Å; P787-V956 HydrophobicContact CB-CG2 4.43Å; P787-V956 HydrophobicContact CG-CG2 4.12Å; P787-C959 HydrophobicContact CB-CB 4.22Å
788N85.4Confident85.3Confident105 Ų10585 Ų8556%0.56145%0.449SS*.  trans-80.4105.7176-174.7-20000110.5E786 D790E786-N788 PolarHBondContact O-N 3.25Å; N788-D790 VanDerWaalsContact OD1-CB 3.3Å; N788-D790 WeakPolarHBondContact OD1-CB 3.27Å; N788-D790 PolarHBondContact OD1-N 3.19Å; N788-D790 PolarHBondContact OD1-OD2 3.03Å
789L90Very high84.9Confident48 Ų4883.9 Ų83.925%0.25145%0.445SS..  trans-97.62.9179.7-58.5179.6000113.7P787 A791 L792 I793 I952 E955P787-L789 HydrophobicContact CB-CD2 4.48Å; P787-L789 PolarHBondContact O-N 3.1Å; L789-A791 VanDerWaalsContact C-N 3.32Å; L789-A791 PolarHBondContact O-N 2.94Å; L789-L792 WeakPolarHBondContact O-CA 3.2Å; L789-L792 WeakPolarHBondContact O-CB 3.3Å; L789-L792 PolarHBondContact O-N 3.06Å; L789-I793 HydrophobicContact CB-CD1 4.29Å; L789-I793 WeakPolarHBondContact O-CG1 3.13Å; L789-I793 PolarHBondContact O-N 3.08Å; L789-I952 HydrophobicContact CD2-CG1 4.48Å; L789-E955 HydrophobicContact CD2-CB 3.93Å; L789-E955 HydrophobicContact CD2-CG 4.31Å
790D88.4Confident84.7Confident99 Ų9984.2 Ų84.253%0.52945%0.449SS..Hα-helixtrans-58.4-43.4-173.3-72.7-29.7000112.4N788 L792 I793 Q794N788-D790 VanDerWaalsContact OD1-CB 3.3Å; N788-D790 WeakPolarHBondContact OD1-CB 3.27Å; N788-D790 PolarHBondContact OD1-N 3.19Å; N788-D790 PolarHBondContact OD1-OD2 3.03Å; D790-L792 VanDerWaalsContact C-N 3.29Å; D790-L792 PolarHBondContact O-N 3.03Å; D790-I793 PolarHBondContact O-N 2.84Å; D790-Q794 WeakPolarHBondContact O-CB 3.43Å; D790-Q794 VanDerWaalsContact O-CG 3.3Å; D790-Q794 WeakPolarHBondContact O-CG 3.46Å; D790-Q794 PolarHBondContact O-N 3.21Å
791A84.7Confident84.5Confident61 Ų6183.2 Ų83.250%0.50444%0.44SS..Hα-helixtrans-63.7-37177.800000111.7L789 N795L789-A791 VanDerWaalsContact C-N 3.32Å; L789-A791 PolarHBondContact O-N 2.94Å; A791-N795 VanDerWaalsContact O-CB 3.3Å; A791-N795 WeakPolarHBondContact O-CB 3.41Å; A791-N795 PolarHBondContact O-N 3.35Å; A791-N795 VanDerWaalsContact O-N 3.13Å; A791-N795 PolarHBondContact O-ND2 3.14Å
792L87.6Confident84.6Confident21 Ų2188.1 Ų88.111%0.1146%0.461CS..Hα-helixtrans-70.7-42.8177-178.260.2000111.1L789 D790 N795 Q796 Y799 I948 K951 I952L789-L792 WeakPolarHBondContact O-CA 3.2Å; L789-L792 WeakPolarHBondContact O-CB 3.3Å; L789-L792 PolarHBondContact O-N 3.06Å; D790-L792 VanDerWaalsContact C-N 3.29Å; D790-L792 PolarHBondContact O-N 3.03Å; L792-N795 CarbonylContact O-C 3.58Å; L792-N795 PolarHBondContact O-N 3.39Å; L792-Q796 WeakPolarHBondContact O-CA 3.33Å; L792-Q796 PolarHBondContact O-N 3.34Å; L792-Y799 HydrophobicContact CD1-CD2 3.9Å; L792-Y799 HydrophobicContact CD1-CE2 3.95Å; L792-I948 HydrophobicContact CD2-CG2 4.33Å; L792-K951 HydrophobicContact CD1-CB 3.61Å; L792-K951 HydrophobicContact CD1-CG 4.13Å; L792-K951 HydrophobicContact CD2-CB 3.79Å; L792-K951 HydrophobicContact CG-CB 4.36Å; L792-I952 HydrophobicContact CD2-CG1 3.58Å
793I86.9Confident84.9Confident105 Ų10586.4 Ų86.454%0.53844%0.443SS..Hα-helixtrans-60-48176.8-67166.5000110.4L789 D790 N795 Q796L789-I793 HydrophobicContact CB-CD1 4.29Å; L789-I793 WeakPolarHBondContact O-CG1 3.13Å; L789-I793 PolarHBondContact O-N 3.08Å; D790-I793 PolarHBondContact O-N 2.84Å; I793-N795 VanDerWaalsContact C-N 3.26Å; I793-N795 PolarHBondContact O-N 3.24Å; I793-Q796 WeakPolarHBondContact O-CB 3.46Å; I793-Q796 PolarHBondContact O-N 3.06Å
794Q87.9Confident85.3Confident147 Ų14783.7 Ų83.769%0.68743%0.429SS*.Hα-helixtrans-62.3-34.7177.8-70.9176.114.300112.5D790 H797D790-Q794 WeakPolarHBondContact O-CB 3.43Å; D790-Q794 VanDerWaalsContact O-CG 3.3Å; D790-Q794 WeakPolarHBondContact O-CG 3.46Å; D790-Q794 PolarHBondContact O-N 3.21Å; Q794-H797 PolarHBondContact O-CE1 2.91Å; Q794-H797 PolarHBondContact O-ND1 2.93Å
795N85.8Confident86Confident47 Ų4781.5 Ų81.525%0.25142%0.415SS..THydrogen-bonded Turntrans-98.39.3-178.3-68.7-68.2000114A791 L792 I793 H797 K798 Y799A791-N795 VanDerWaalsContact O-CB 3.3Å; A791-N795 WeakPolarHBondContact O-CB 3.41Å; A791-N795 PolarHBondContact O-N 3.35Å; A791-N795 VanDerWaalsContact O-N 3.13Å; A791-N795 PolarHBondContact O-ND2 3.14Å; L792-N795 CarbonylContact O-C 3.58Å; L792-N795 PolarHBondContact O-N 3.39Å; I793-N795 VanDerWaalsContact C-N 3.26Å; I793-N795 PolarHBondContact O-N 3.24Å; N795-H797 PolarHBondContact O-N 3.49Å; N795-H797 VanDerWaalsContact O-N 3.1Å; N795-K798 HydrophobicContact CB-CD 4.18Å; N795-K798 VanDerWaalsContact O-CB 3.31Å; N795-K798 WeakPolarHBondContact O-CB 3.41Å; N795-K798 PolarHBondContact O-N 2.97Å; N795-K798 WeakPolarHBondContact OD1-CE 3.4Å; N795-K798 PolarHBondContact OD1-NZ 3.45Å; N795-Y799 HydrophobicContact CB-CE2 4.24Å; N795-Y799 WeakPolarHBondContact O-CD2 2.97Å
796Q83.2Confident86.5Confident72 Ų7278.4 Ų78.434%0.33640%0.397SS..Hα-helixtrans-56.6-36-172.5-172.8-175.3-8.500112.2L792 I793 K798 Y799 S800 I948L792-Q796 WeakPolarHBondContact O-CA 3.33Å; L792-Q796 PolarHBondContact O-N 3.34Å; I793-Q796 WeakPolarHBondContact O-CB 3.46Å; I793-Q796 PolarHBondContact O-N 3.06Å; Q796-K798 PolarHBondContact O-N 3.17Å; Q796-K798 VanDerWaalsContact O-N 3.13Å; Q796-Y799 PolarHBondContact O-N 3.38Å; Q796-S800 PolarHBondContact O-N 3.05Å; Q796-S800 PolarHBondContact O-OG 2.65Å; Q796-I948 HydrophobicContact CG-CD1 3.56Å; Q796-I948 HydrophobicContact CG-CG1 4.25Å
797H83.7Confident87Confident124 Ų12479.6 Ų79.657%0.57440%0.396SS*.Hα-helixtrans-59-22.8177.366.4-86.8000114.2Q794 N795Q794-H797 PolarHBondContact O-CE1 2.91Å; Q794-H797 PolarHBondContact O-ND1 2.93Å; N795-H797 PolarHBondContact O-N 3.49Å; N795-H797 VanDerWaalsContact O-N 3.1Å
798K82.1Confident87.3Confident137 Ų13779 Ų7960%0.59639%0.391SS*.Hα-helixtrans-74.2-32.1176-65-179.4178.3160.70112.2N795 Q796N795-K798 HydrophobicContact CB-CD 4.18Å; N795-K798 VanDerWaalsContact O-CB 3.31Å; N795-K798 WeakPolarHBondContact O-CB 3.41Å; N795-K798 PolarHBondContact O-N 2.97Å; N795-K798 WeakPolarHBondContact OD1-CE 3.4Å; N795-K798 PolarHBondContact OD1-NZ 3.45Å; Q796-K798 PolarHBondContact O-N 3.17Å; Q796-K798 VanDerWaalsContact O-N 3.13Å
799Y80.7Confident87.6Confident90 Ų9074 Ų7435%0.35337%0.365SS..Hα-helixtrans-99.7-12.1-177.4-53.1-74.1000112.3L792 N795 Q796 K951L792-Y799 HydrophobicContact CD1-CD2 3.9Å; L792-Y799 HydrophobicContact CD1-CE2 3.95Å; N795-Y799 HydrophobicContact CB-CE2 4.24Å; N795-Y799 WeakPolarHBondContact O-CD2 2.97Å; Q796-Y799 PolarHBondContact O-N 3.38Å; Y799-K951 HydrophobicContact CE1-CG 4.36Å
800S84.3Confident87.7Confident38 Ų3872 Ų7227%0.26636%0.355SS..SBendtrans-73.8140179.7-58.70000111.8Q796 K802 D945Q796-S800 PolarHBondContact O-N 3.05Å; Q796-S800 PolarHBondContact O-OG 2.65Å; S800-K802 PolarHBondContact O-N 3.02Å; S800-D945 VanDerWaalsContact CA-OD2 3.23Å; S800-D945 WeakPolarHBondContact CA-OD2 3.47Å
801I85.2Confident87.9Confident65 Ų6570.4 Ų70.433%0.33336%0.362SS..PPolyproline II helixtrans-70.4128175.3-62.5175.2000109Y803 D945I801-Y803 HydrophobicContact CB-CE2 3.83Å; I801-Y803 HydrophobicContact CG2-CD2 4.27Å; I801-Y803 HydrophobicContact CG2-CE1 4.34Å; I801-Y803 HydrophobicContact CG2-CE2 3.74Å; I801-Y803 WeakPolarHBondContact O-CD2 3.32Å; I801-Y803 WeakPolarHBondContact O-CE2 3Å; I801-D945 HydrophobicContact CD1-CB 4.37Å; I801-D945 WeakPolarHBondContact CD1-OD1 3.47Å; I801-D945 HydrophobicContact CG1-CB 4.27Å; I801-D945 PolarHBondContact N-OD2 2.98Å
802K88.1Confident88.3Confident167 Ų16774.1 Ų74.173%0.72636%0.363SS*.PPolyproline II helixtrans-82.8126.5174.6-66.4-177-177.6177.40109.9S800S800-K802 PolarHBondContact O-N 3.02Å
803Y90.7Very high88.5Confident44 Ų4474.6 Ų74.617%0.17337%0.366CS..EExtended strand (participates in β ladder)trans-109.5140.1175.8-63.1-95.3000110.6I801 G860 K863 M870 Y871I801-Y803 HydrophobicContact CB-CE2 3.83Å; I801-Y803 HydrophobicContact CG2-CD2 4.27Å; I801-Y803 HydrophobicContact CG2-CE1 4.34Å; I801-Y803 HydrophobicContact CG2-CE2 3.74Å; I801-Y803 WeakPolarHBondContact O-CD2 3.32Å; I801-Y803 WeakPolarHBondContact O-CE2 3Å; Y803-G860 WeakPolarHBondContact OH-CA 3.42Å; Y803-G860 PolarHBondContact OH-N 3.35Å; Y803-K863 HydrophobicContact CD1-CB 3.8Å; Y803-K863 HydrophobicContact CD2-CD 4.2Å; Y803-K863 HydrophobicContact CE1-CB 3.73Å; Y803-K863 HydrophobicContact CE2-CB 4.48Å; Y803-K863 HydrophobicContact CE2-CD 4.03Å; Y803-K863 HydrophobicContact CG-CB 4.22Å; Y803-M870 HydrophobicContact CD1-CB 4.5Å; Y803-M870 HydrophobicContact CG-CB 4.44Å; Y803-Y871 CarbonylContact C-O 3.47Å; Y803-Y871 WeakPolarHBondContact CA-O 3.35Å
804N92.2Very high88.6Confident43 Ų4373.1 Ų73.123%0.2338%0.376CS..EExtended strand (participates in β ladder)trans-118.4149177.8-59.5-74.9000110.4V808 L809 M870 Y871N804-V808 HydrophobicContact CB-CB 4.02Å; N804-V808 HydrophobicContact CB-CG1 4.05Å; N804-L809 HydrophobicContact CB-CD1 3.76Å; N804-M870 WeakPolarHBondContact O-CA 3.47Å; N804-Y871 PolarHBondContact N-O 2.75Å; N804-Y871 PolarHBondContact O-N 3.07Å
805P92.8Very high88.8Confident26 Ų2667.7 Ų67.717%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-60153.6172-23.233.5000112.3Y807 V808 L809 M870P805-Y807 HydrophobicContact CB-CD1 3.54Å; P805-Y807 HydrophobicContact CB-CE1 3.26Å; P805-Y807 HydrophobicContact CB-CG 4.44Å; P805-Y807 HydrophobicContact CG-CD1 4.42Å; P805-Y807 HydrophobicContact CG-CE1 3.66Å; P805-Y807 PolarHBondContact O-N 3.38Å; P805-Y807 VanDerWaalsContact O-N 3.11Å; P805-V808 HydrophobicContact CB-CG2 4.5Å; P805-V808 HydrophobicContact CG-CG2 4.46Å; P805-V808 WeakPolarHBondContact O-CB 3.44Å; P805-V808 PolarHBondContact O-N 3.07Å; P805-L809 PolarHBondContact O-N 2.69Å; P805-M870 HydrophobicContact CB-SD 4.27Å; P805-M870 HydrophobicContact CG-CE 3.79Å; P805-M870 HydrophobicContact CG-SD 4.04Å
806G90.1Very high89.1Confident14 Ų1468 Ų6814%0.14436%0.359CS..Hα-helixtrans-56-31.3-178.600000114.9V808 L809 A810G806-V808 VanDerWaalsContact C-N 3.3Å; G806-V808 PolarHBondContact O-N 3.36Å; G806-L809 PolarHBondContact O-N 3.04Å; G806-A810 WeakPolarHBondContact O-CB 3.45Å; G806-A810 PolarHBondContact O-N 3.06Å
807Y90.7Very high89.4Confident170 Ų17066.2 Ų66.267%0.66736%0.36SS*.Hα-helixtrans-69-27.1177.670.8-98000113.1P805 G811P805-Y807 HydrophobicContact CB-CD1 3.54Å; P805-Y807 HydrophobicContact CB-CE1 3.26Å; P805-Y807 HydrophobicContact CB-CG 4.44Å; P805-Y807 HydrophobicContact CG-CD1 4.42Å; P805-Y807 HydrophobicContact CG-CE1 3.66Å; P805-Y807 PolarHBondContact O-N 3.38Å; P805-Y807 VanDerWaalsContact O-N 3.11Å; Y807-G811 PolarHBondContact O-N 2.97Å
808V92.4Very high89.7Confident36 Ų3663.6 Ų63.622%0.21835%0.345CS..Hα-helixtrans-72.4-46.7176.4178.80000109.9N804 P805 G806 A810 G811 R812N804-V808 HydrophobicContact CB-CB 4.02Å; N804-V808 HydrophobicContact CB-CG1 4.05Å; P805-V808 HydrophobicContact CB-CG2 4.5Å; P805-V808 HydrophobicContact CG-CG2 4.46Å; P805-V808 WeakPolarHBondContact O-CB 3.44Å; P805-V808 PolarHBondContact O-N 3.07Å; G806-V808 VanDerWaalsContact C-N 3.3Å; G806-V808 PolarHBondContact O-N 3.36Å; V808-A810 VanDerWaalsContact C-N 3.33Å; V808-A810 PolarHBondContact O-N 3.29Å; V808-G811 PolarHBondContact O-N 3.4Å; V808-R812 PolarHBondContact O-N 2.81Å
809L92.6Very high90.2Very high0 Ų057.5 Ų57.50%032%0.319CS..Hα-helixtrans-60.6-44.9174.1-94.371.7000111.2N804 P805 G806 G811 R812 L813 V820 Y871 E876 L879N804-L809 HydrophobicContact CB-CD1 3.76Å; P805-L809 PolarHBondContact O-N 2.69Å; G806-L809 PolarHBondContact O-N 3.04Å; L809-G811 VanDerWaalsContact C-N 3.31Å; L809-G811 PolarHBondContact O-N 3.46Å; L809-R812 PolarHBondContact O-N 3.09Å; L809-R812 VanDerWaalsContact O-N 3.13Å; L809-L813 HydrophobicContact CB-CD1 4.5Å; L809-L813 WeakPolarHBondContact O-CB 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.37Å; L809-L813 PolarHBondContact O-N 3.4Å; L809-V820 HydrophobicContact CB-CG1 4.37Å; L809-V820 HydrophobicContact CB-CG2 4.48Å; L809-V820 HydrophobicContact CD2-CG1 4.44Å; L809-Y871 HydrophobicContact CD2-CD2 4.42Å; L809-Y871 HydrophobicContact CD2-CG 3.86Å; L809-E876 HydrophobicContact CD2-CB 4.01Å; L809-E876 HydrophobicContact CG-CB 4.04Å; L809-E876 HydrophobicContact CG-CG 4.15Å; L809-L879 HydrophobicContact CD2-CD1 4.37Å
810A92.2Very high90.8Very high7 Ų753.3 Ų53.36%0.05830%0.303CS..Hα-helixtrans-54.7-46.5176.800000111.8G806 V808 R812 L813 G814 V815 V820G806-A810 WeakPolarHBondContact O-CB 3.45Å; G806-A810 PolarHBondContact O-N 3.06Å; V808-A810 VanDerWaalsContact C-N 3.33Å; V808-A810 PolarHBondContact O-N 3.29Å; A810-R812 VanDerWaalsContact C-N 3.35Å; A810-R812 PolarHBondContact O-N 3.38Å; A810-L813 PolarHBondContact O-N 2.98Å; A810-G814 PolarHBondContact O-N 2.94Å; A810-V815 CarbonylContact C-O 3.44Å; A810-V815 WeakPolarHBondContact CA-O 3.5Å; A810-V815 VanDerWaalsContact CB-O 3.25Å; A810-V815 WeakPolarHBondContact CB-O 3.32Å; A810-V815 PolarHBondContact O-N 3.41Å; A810-V815 VanDerWaalsContact O-N 3.07Å; A810-V815 VanDerWaalsContact O-O 3.06Å; A810-V820 HydrophobicContact CB-CG2 3.93Å
811G92Very high91.1Very high65 Ų6553.7 Ų53.767%0.6731%0.306SS*.Hα-helixtrans-63.1-34.917700000114.3Y807 V808 L809Y807-G811 PolarHBondContact O-N 2.97Å; V808-G811 PolarHBondContact O-N 3.4Å; L809-G811 VanDerWaalsContact C-N 3.31Å; L809-G811 PolarHBondContact O-N 3.46Å
812R92.4Very high91.4Very high139 Ų13953.2 Ų53.253%0.52530%0.299SS..Hα-helixtrans-77.2-37.1177.6-68.1179.6-175.5163-0.1113.3V808 L809 A810 G814 E876V808-R812 PolarHBondContact O-N 2.81Å; L809-R812 PolarHBondContact O-N 3.09Å; L809-R812 VanDerWaalsContact O-N 3.13Å; A810-R812 VanDerWaalsContact C-N 3.35Å; A810-R812 PolarHBondContact O-N 3.38Å; R812-G814 VanDerWaalsContact C-N 3.34Å; R812-E876 WeakPolarHBondContact CB-OE1 3.31Å; R812-E876 WeakPolarHBondContact CD-OE1 3.45Å; R812-E876 WeakPolarHBondContact CD-OE2 3.33Å; R812-E876 IonicContact CZ-OE2 3.42Å; R812-E876 IonicContact NH1-OE2 2.75Å; R812-E876 PolarHBondContact NH1-OE2 3.39Å
813L92.3Very high91.7Very high31 Ų3145.2 Ų45.216%0.16227%0.265CS..Hα-helixtrans-84.8-6.6-179.3-66.8172.2000113.2L809 A810 V815 E876 L879 A880 I883L809-L813 HydrophobicContact CB-CD1 4.5Å; L809-L813 WeakPolarHBondContact O-CB 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.37Å; L809-L813 PolarHBondContact O-N 3.4Å; A810-L813 PolarHBondContact O-N 2.98Å; L813-V815 VanDerWaalsContact C-N 3.28Å; L813-V815 HydrophobicContact CB-CG2 3.87Å; L813-V815 PolarHBondContact O-N 2.9Å; L813-E876 HydrophobicContact CD1-CG 4.38Å; L813-E876 HydrophobicContact CD2-CG 4.11Å; L813-E876 HydrophobicContact CG-CG 4.18Å; L813-L879 HydrophobicContact CD1-CB 3.69Å; L813-L879 HydrophobicContact CD1-CD1 3.99Å; L813-A880 HydrophobicContact CD2-CB 3.66Å; L813-I883 HydrophobicContact CB-CD1 4.15Å; L813-I883 HydrophobicContact CD2-CD1 4.46Å
814G90.3Very high91.8Very high73 Ų7343.1 Ų43.175%0.75326%0.257SS*.THydrogen-bonded Turntrans68.124.6-177.900000114A810 R812A810-G814 PolarHBondContact O-N 2.94Å; R812-G814 VanDerWaalsContact C-N 3.34Å
815V91.9Very high91.7Very high33 Ų3341.4 Ų41.420%0.225%0.249CC..SBendtrans-119.6170.9-179.7-63.20000111A810 L813 L819 V820 I883A810-V815 CarbonylContact C-O 3.44Å; A810-V815 WeakPolarHBondContact CA-O 3.5Å; A810-V815 VanDerWaalsContact CB-O 3.25Å; A810-V815 WeakPolarHBondContact CB-O 3.32Å; A810-V815 PolarHBondContact O-N 3.41Å; A810-V815 VanDerWaalsContact O-N 3.07Å; A810-V815 VanDerWaalsContact O-O 3.06Å; L813-V815 VanDerWaalsContact C-N 3.28Å; L813-V815 HydrophobicContact CB-CG2 3.87Å; L813-V815 PolarHBondContact O-N 2.9Å; V815-L819 HydrophobicContact CB-CB 4.27Å; V815-L819 HydrophobicContact CB-CD1 4.03Å; V815-L819 HydrophobicContact CG1-CD1 4.4Å; V815-V820 HydrophobicContact CG2-CG2 3.75Å; V815-I883 HydrophobicContact CG1-CD1 3.75Å; V815-I883 HydrophobicContact CG1-CG1 4.49Å; V815-I883 HydrophobicContact CG2-CD1 4.5Å
816S91.5Very high91.5Very high54 Ų5442.2 Ų42.238%0.37826%0.255SS..  trans-80153.4174.172.30000111.8Y818 L819 V820S816-Y818 PolarHBondContact O-N 2.85Å; S816-Y818 VanDerWaalsContact O-N 3.16Å; S816-L819 PolarHBondContact O-N 3.39Å; S816-L819 WeakPolarHBondContact OG-CG 3.17Å; S816-L819 PolarHBondContact OG-N 2.97Å; S816-V820 PolarHBondContact O-N 3.26Å
817G89.1Confident91.6Very high35 Ų3541.7 Ų41.736%0.36125%0.249SC..Hα-helixtrans-58.8-26.9173.900000113.3S821G817-S821 VanDerWaalsContact O-CB 3.32Å; G817-S821 WeakPolarHBondContact O-CB 3.27Å; G817-S821 PolarHBondContact O-N 3.49Å
818Y90.8Very high91.7Very high69 Ų6937.6 Ų37.627%0.27124%0.235SC..Hα-helixtrans-61.8-46.5170.7167.4-102.3000111.8S816 S821 R822 I893 S897S816-Y818 PolarHBondContact O-N 2.85Å; S816-Y818 VanDerWaalsContact O-N 3.16Å; Y818-S821 CarbonylContact O-C 3.55Å; Y818-S821 WeakPolarHBondContact O-CA 3.13Å; Y818-S821 WeakPolarHBondContact O-CB 3.37Å; Y818-S821 PolarHBondContact O-N 2.87Å; Y818-S821 VanDerWaalsContact O-N 3.12Å; Y818-R822 HydrophobicContact CD1-CG 4.36Å; Y818-R822 HydrophobicContact CD2-CG 3.89Å; Y818-R822 HydrophobicContact CE1-CG 3.91Å; Y818-R822 HydrophobicContact CE2-CG 3.36Å; Y818-R822 HydrophobicContact CG-CG 4.36Å; Y818-R822 WeakPolarHBondContact O-CG 3.48Å; Y818-R822 PolarHBondContact O-N 3.03Å; Y818-R822 PolarHBondContact OH-NE 2.98Å; Y818-I893 HydrophobicContact CE1-CG2 4.2Å; Y818-S897 WeakPolarHBondContact OH-CA 3.39Å; Y818-S897 PolarHBondContact OH-O 3.49Å; Y818-S897 VanDerWaalsContact OH-O 3.09Å
819L92Very high91.6Very high9 Ų936 Ų365%0.04723%0.225CC..Hα-helixtrans-65.9-43.5179.9-68.1170.7000111.8V815 S816 S821 R822 F823 I893 A894V815-L819 HydrophobicContact CB-CB 4.27Å; V815-L819 HydrophobicContact CB-CD1 4.03Å; V815-L819 HydrophobicContact CG1-CD1 4.4Å; S816-L819 PolarHBondContact O-N 3.39Å; S816-L819 WeakPolarHBondContact OG-CG 3.17Å; S816-L819 PolarHBondContact OG-N 2.97Å; L819-S821 PolarHBondContact O-N 2.94Å; L819-R822 PolarHBondContact O-N 2.71Å; L819-R822 VanDerWaalsContact O-N 3.16Å; L819-F823 HydrophobicContact CB-CD2 4.5Å; L819-F823 HydrophobicContact CD2-CD2 4.37Å; L819-F823 HydrophobicContact CD2-CE2 3.99Å; L819-F823 WeakPolarHBondContact O-CB 3.42Å; L819-F823 WeakPolarHBondContact O-CD2 3.45Å; L819-F823 PolarHBondContact O-N 3.15Å; L819-I893 HydrophobicContact CD2-CB 4.3Å; L819-I893 HydrophobicContact CD2-CG2 3.91Å; L819-A894 HydrophobicContact CD1-CB 3.84Å; L819-A894 HydrophobicContact CD2-CB 4.18Å; L819-A894 HydrophobicContact CG-CB 4.46Å
820V92.8Very high91.3Very high2 Ų236.2 Ų36.21%0.01223%0.227CC..Hα-helixtrans-53.6-45.9170.9177.70000109.7L809 A810 V815 S816 T824 Y871 L879L809-V820 HydrophobicContact CB-CG1 4.37Å; L809-V820 HydrophobicContact CB-CG2 4.48Å; L809-V820 HydrophobicContact CD2-CG1 4.44Å; A810-V820 HydrophobicContact CB-CG2 3.93Å; V815-V820 HydrophobicContact CG2-CG2 3.75Å; S816-V820 PolarHBondContact O-N 3.26Å; V820-T824 WeakPolarHBondContact O-CB 3.44Å; V820-T824 WeakPolarHBondContact O-CG2 3.47Å; V820-T824 PolarHBondContact O-N 3.02Å; V820-T824 PolarHBondContact O-OG1 3.47Å; V820-Y871 HydrophobicContact CG1-CD1 4.42Å; V820-Y871 HydrophobicContact CG1-CD2 4.32Å; V820-Y871 HydrophobicContact CG1-CE1 4.2Å; V820-Y871 HydrophobicContact CG1-CE2 4.07Å; V820-Y871 HydrophobicContact CG1-CG 4.49Å; V820-L879 HydrophobicContact CG1-CD1 3.98Å
821S91.1Very high90.9Very high46 Ų4642.5 Ų42.532%0.32225%0.25SC..Hα-helixtrans-66.1-38.7179.4-174.90000113.7G817 Y818 L819 T824 K850G817-S821 VanDerWaalsContact O-CB 3.32Å; G817-S821 WeakPolarHBondContact O-CB 3.27Å; G817-S821 PolarHBondContact O-N 3.49Å; Y818-S821 CarbonylContact O-C 3.55Å; Y818-S821 WeakPolarHBondContact O-CA 3.13Å; Y818-S821 WeakPolarHBondContact O-CB 3.37Å; Y818-S821 PolarHBondContact O-N 2.87Å; Y818-S821 VanDerWaalsContact O-N 3.12Å; L819-S821 PolarHBondContact O-N 2.94Å; S821-T824 PolarHBondContact O-OG1 3.47Å; S821-K850 WeakPolarHBondContact O-CE 3.21Å; S821-K850 PolarHBondContact O-NZ 3.03Å; S821-K850 PolarHBondContact OG-NZ 2.97Å
822R91.8Very high90.3Very high54 Ų5439.4 Ų39.420%0.20422%0.218CC..Hα-helixtrans-76-46.9-178.4-68.8-66.7-85.1-176.1-11.9112.3Y818 L819 T824 G825 I827 E899 D900Y818-R822 HydrophobicContact CD1-CG 4.36Å; Y818-R822 HydrophobicContact CD2-CG 3.89Å; Y818-R822 HydrophobicContact CE1-CG 3.91Å; Y818-R822 HydrophobicContact CE2-CG 3.36Å; Y818-R822 HydrophobicContact CG-CG 4.36Å; Y818-R822 WeakPolarHBondContact O-CG 3.48Å; Y818-R822 PolarHBondContact O-N 3.03Å; Y818-R822 PolarHBondContact OH-NE 2.98Å; L819-R822 PolarHBondContact O-N 2.71Å; L819-R822 VanDerWaalsContact O-N 3.16Å; R822-T824 VanDerWaalsContact C-N 3.31Å; R822-T824 PolarHBondContact O-N 3.4Å; R822-G825 WeakPolarHBondContact O-CA 3.35Å; R822-G825 PolarHBondContact O-N 2.86Å; R822-I827 HydrophobicContact CB-CD1 4.43Å; R822-E899 PolarHBondContact NH2-O 3.33Å; R822-D900 IonicContact CZ-OD1 3.39Å; R822-D900 IonicContact NH1-OD1 2.88Å; R822-D900 PolarHBondContact NH1-OD1 3.14Å; R822-D900 IonicContact NH2-OD1 3.06Å; R822-D900 PolarHBondContact NH2-OD1 2.56Å
823F93.4Very high89.7Confident0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-70.8-27.3-176.6-82-93.8000113.1L819 G825 I827 L847 L879 Y882 L889 F890 I893L819-F823 HydrophobicContact CB-CD2 4.5Å; L819-F823 HydrophobicContact CD2-CD2 4.37Å; L819-F823 HydrophobicContact CD2-CE2 3.99Å; L819-F823 WeakPolarHBondContact O-CB 3.42Å; L819-F823 WeakPolarHBondContact O-CD2 3.45Å; L819-F823 PolarHBondContact O-N 3.15Å; F823-G825 VanDerWaalsContact C-N 3.26Å; F823-G825 PolarHBondContact O-N 3.08Å; F823-I827 HydrophobicContact CB-CD1 4.31Å; F823-I827 HydrophobicContact CD1-CD1 3.66Å; F823-I827 HydrophobicContact CD2-CD1 3.85Å; F823-I827 HydrophobicContact CE1-CD1 3.87Å; F823-I827 HydrophobicContact CE2-CD1 4.04Å; F823-I827 HydrophobicContact CG-CD1 3.68Å; F823-I827 HydrophobicContact CZ-CD1 4.07Å; F823-L847 VanDerWaalsContact O-CB 3.23Å; F823-L847 WeakPolarHBondContact O-CB 3.23Å; F823-L847 WeakPolarHBondContact O-CG 3.37Å; F823-L847 PolarHBondContact O-N 2.9Å; F823-L879 HydrophobicContact CB-CD2 3.8Å; F823-Y882 AromaticContact CD1-CD1 3.93Å; F823-Y882 HydrophobicContact CD1-CD1 3.93Å; F823-Y882 AromaticContact CD1-CE1 3.61Å; F823-Y882 HydrophobicContact CD1-CE1 3.61Å; F823-Y882 HydrophobicContact CE1-CE1 4.05Å; F823-L889 HydrophobicContact CE1-CD2 3.96Å; F823-L889 HydrophobicContact CE1-CG 4.13Å; F823-L889 HydrophobicContact CZ-CD2 4.33Å; F823-L889 HydrophobicContact CZ-CG 3.99Å; F823-F890 HydrophobicContact CB-CE1 4.07Å; F823-F890 HydrophobicContact CB-CZ 4.07Å; F823-F890 HydrophobicContact CD1-CD1 4.41Å; F823-F890 HydrophobicContact CD1-CD2 4.3Å; F823-F890 AromaticContact CD1-CE1 3.72Å; F823-F890 HydrophobicContact CD1-CE1 3.72Å; F823-F890 AromaticContact CD1-CE2 3.58Å; F823-F890 HydrophobicContact CD1-CE2 3.58Å; F823-F890 AromaticContact CD1-CZ 3.24Å; F823-F890 HydrophobicContact CD1-CZ 3.24Å; F823-F890 AromaticContact CD2-CD1 3.76Å; F823-F890 HydrophobicContact CD2-CD1 3.76Å; F823-F890 AromaticContact CD2-CE1 3.45Å; F823-F890 HydrophobicContact CD2-CE1 3.45Å; F823-F890 VanDerWaalsContact CD2-CE1 3.45Å; F823-F890 HydrophobicContact CD2-CG 4.48Å; F823-F890 AromaticContact CD2-CZ 3.92Å; F823-F890 HydrophobicContact CD2-CZ 3.92Å; F823-F890 HydrophobicContact CE1-CD1 4.2Å; F823-F890 AromaticContact CE1-CD2 3.65Å; F823-F890 HydrophobicContact CE1-CD2 3.65Å; F823-F890 AromaticContact CE1-CE1 3.93Å; F823-F890 HydrophobicContact CE1-CE1 3.93Å; F823-F890 AromaticContact CE1-CE2 3.33Å; F823-F890 HydrophobicContact CE1-CE2 3.33Å; F823-F890 HydrophobicContact CE1-CG 4.08Å; F823-F890 AromaticContact CE1-CZ 3.49Å; F823-F890 HydrophobicContact CE1-CZ 3.49Å; F823-F890 VanDerWaalsContact CE1-CZ 3.49Å; F823-F890 AromaticContact CE2-CD1 3.53Å; F823-F890 HydrophobicContact CE2-CD1 3.53Å; F823-F890 HydrophobicContact CE2-CD2 4.29Å; F823-F890 AromaticContact CE2-CE1 3.68Å; F823-F890 HydrophobicContact CE2-CE1 3.68Å; F823-F890 HydrophobicContact CE2-CE2 4.41Å; F823-F890 AromaticContact CE2-CG 3.86Å; F823-F890 HydrophobicContact CE2-CG 3.86Å; F823-F890 HydrophobicContact CE2-CZ 4.13Å; F823-F890 HydrophobicContact CG-CD1 4.19Å; F823-F890 AromaticContact CG-CE1 3.45Å; F823-F890 HydrophobicContact CG-CE1 3.45Å; F823-F890 VanDerWaalsContact CG-CE1 3.45Å; F823-F890 HydrophobicContact CG-CE2 4.21Å; F823-F890 AromaticContact CG-CZ 3.46Å; F823-F890 HydrophobicContact CG-CZ 3.46Å; F823-F890 VanDerWaalsContact CG-CZ 3.46Å; F823-F890 HydrophobicContact CZ-CB 4.3Å; F823-F890 AromaticContact CZ-CD1 3.74Å; F823-F890 HydrophobicContact CZ-CD1 3.74Å; F823-F890 AromaticContact CZ-CD2 3.62Å; F823-F890 HydrophobicContact CZ-CD2 3.62Å; F823-F890 AromaticContact CZ-CE1 3.89Å; F823-F890 HydrophobicContact CZ-CE1 3.89Å; F823-F890 AromaticContact CZ-CE2 3.77Å; F823-F890 HydrophobicContact CZ-CE2 3.77Å; F823-F890 AromaticContact CZ-CG 3.61Å; F823-F890 HydrophobicContact CZ-CG 3.61Å; F823-F890 AromaticContact CZ-CZ 3.91Å; F823-F890 HydrophobicContact CZ-CZ 3.91Å; F823-I893 HydrophobicContact CE2-CB 4.26Å; F823-I893 HydrophobicContact CE2-CD1 3.97Å; F823-I893 HydrophobicContact CE2-CG2 4.25Å; F823-I893 HydrophobicContact CZ-CD1 3.73Å
824T92.9Very high89.2Confident0 Ų039.2 Ų39.20%022%0.218CC..THydrogen-bonded Turntrans-75.1-14.6169.655.80000113.3V820 S821 R822 L849 K850 Y871 L879V820-T824 WeakPolarHBondContact O-CB 3.44Å; V820-T824 WeakPolarHBondContact O-CG2 3.47Å; V820-T824 PolarHBondContact O-N 3.02Å; V820-T824 PolarHBondContact O-OG1 3.47Å; S821-T824 PolarHBondContact O-OG1 3.47Å; R822-T824 VanDerWaalsContact C-N 3.31Å; R822-T824 PolarHBondContact O-N 3.4Å; T824-L849 HydrophobicContact CG2-CD1 4.26Å; T824-L849 CarbonylContact O-C 3.49Å; T824-L849 WeakPolarHBondContact O-CA 3.37Å; T824-L849 WeakPolarHBondContact O-CB 3.35Å; T824-L849 PolarHBondContact O-N 3.02Å; T824-K850 PolarHBondContact O-N 3.47Å; T824-K850 VanDerWaalsContact O-N 3.12Å; T824-K850 WeakPolarHBondContact OG1-CE 3.17Å; T824-Y871 HydrophobicContact CG2-CD1 3.97Å; T824-Y871 HydrophobicContact CG2-CE1 3.66Å; T824-Y871 WeakPolarHBondContact OG1-CE1 3.47Å; T824-L879 HydrophobicContact CG2-CD1 3.78Å; T824-L879 HydrophobicContact CG2-CD2 4.16Å; T824-L879 HydrophobicContact CG2-CG 4.24Å
825G90.4Very high88.7Confident7 Ų747.1 Ų47.17%0.07223%0.226CC..SBendtrans-94.2-145.4175.400000112.9R822 F823 G846 L847 N848R822-G825 WeakPolarHBondContact O-CA 3.35Å; R822-G825 PolarHBondContact O-N 2.86Å; F823-G825 VanDerWaalsContact C-N 3.26Å; F823-G825 PolarHBondContact O-N 3.08Å; G825-G846 CarbonylContact O-C 3.59Å; G825-G846 WeakPolarHBondContact O-CA 3.21Å; G825-L847 PolarHBondContact O-N 2.99Å; G825-N848 WeakPolarHBondContact O-CA 3.36Å; G825-N848 PolarHBondContact O-N 3.3Å
826S89.8Confident87.9Confident43 Ų4350.3 Ų50.330%0.30124%0.241SC..  trans-104.7136.2172.7-52.50000110.1N848S826-N848 PolarHBondContact OG-OD1 3.36Å
827I91.6Very high87.3Confident2 Ų250.9 Ų50.91%0.0124%0.244CC..  trans-128.2123.4178.2-64.4175.9000107.2R822 F823 N844 V845 I893 F902R822-I827 HydrophobicContact CB-CD1 4.43Å; F823-I827 HydrophobicContact CB-CD1 4.31Å; F823-I827 HydrophobicContact CD1-CD1 3.66Å; F823-I827 HydrophobicContact CD2-CD1 3.85Å; F823-I827 HydrophobicContact CE1-CD1 3.87Å; F823-I827 HydrophobicContact CE2-CD1 4.04Å; F823-I827 HydrophobicContact CG-CD1 3.68Å; F823-I827 HydrophobicContact CZ-CD1 4.07Å; I827-N844 PolarHBondContact N-OD1 2.97Å; I827-N844 VanDerWaalsContact N-OD1 3.09Å; I827-N844 CarbonylContact O-C 3.59Å; I827-N844 VanDerWaalsContact O-CA 3.24Å; I827-N844 WeakPolarHBondContact O-CA 3.41Å; I827-N844 PolarHBondContact O-OD1 3.03Å; I827-N844 VanDerWaalsContact O-OD1 3.07Å; I827-V845 HydrophobicContact CB-CG2 3.92Å; I827-V845 HydrophobicContact CG2-CG2 3.66Å; I827-V845 PolarHBondContact O-N 3.39Å; I827-I893 HydrophobicContact CD1-CD1 4.03Å; I827-I893 HydrophobicContact CG2-CD1 3.84Å; I827-F902 HydrophobicContact CG2-CD2 3.9Å; I827-F902 HydrophobicContact CG2-CE2 4.06Å
828F91.7Very high86.7Confident85 Ų8554.4 Ų54.437%0.37325%0.251SS..EExtended strand (participates in β ladder)trans-105.4127.6-178.2-66.7-78.1000111.4K842 A843 N844 F902F828-K842 HydrophobicContact CB-CB 4.25Å; F828-K842 HydrophobicContact CB-CD 4.5Å; F828-K842 HydrophobicContact CD1-CB 4.23Å; F828-A843 CarbonylContact C-O 3.51Å; F828-A843 VanDerWaalsContact CA-O 3.31Å; F828-A843 WeakPolarHBondContact CA-O 3.38Å; F828-N844 HydrophobicContact CD1-CB 4.08Å; F828-N844 HydrophobicContact CE1-CB 3.82Å; F828-F902 PolarHBondContact O-N 2.81Å
829I90.6Very high85.7Confident3 Ų353.8 Ų53.82%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-113.3122173.1-58.6180000109K842 A843 V845 L889 F902 E904 I907 W908 V919I829-K842 CarbonylContact O-C 3.47Å; I829-K842 WeakPolarHBondContact O-CA 3.36Å; I829-A843 PolarHBondContact N-O 3.32Å; I829-A843 PolarHBondContact O-N 3.21Å; I829-V845 HydrophobicContact CD1-CB 4.4Å; I829-V845 HydrophobicContact CD1-CG1 4.02Å; I829-V845 HydrophobicContact CD1-CG2 3.55Å; I829-V845 HydrophobicContact CG1-CG2 3.84Å; I829-L889 HydrophobicContact CD1-CD1 3.88Å; I829-L889 HydrophobicContact CD1-CD2 4.48Å; I829-F902 CarbonylContact C-O 3.51Å; I829-F902 VanDerWaalsContact CA-O 3.25Å; I829-F902 WeakPolarHBondContact CA-O 3.36Å; I829-F902 HydrophobicContact CG1-CB 4.4Å; I829-E904 HydrophobicContact CG2-CB 4.22Å; I829-I907 HydrophobicContact CD1-CD1 3.76Å; I829-I907 HydrophobicContact CG1-CD1 4.11Å; I829-I907 HydrophobicContact CG2-CD1 4.26Å; I829-W908 HydrophobicContact CD1-CH2 4.4Å; I829-W908 HydrophobicContact CD1-CZ3 4.39Å; I829-V919 HydrophobicContact CB-CG2 4.47Å; I829-V919 HydrophobicContact CD1-CG2 4.18Å; I829-V919 HydrophobicContact CG2-CG2 3.9Å
830G86.5Confident84.7Confident4 Ų461.1 Ų61.14%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-89.8161.617200000112.3F902 Y903 E904G830-F902 PolarHBondContact N-O 2.95Å; G830-Y903 WeakPolarHBondContact O-CA 3.38Å; G830-E904 PolarHBondContact O-N 3.23Å; G830-E904 VanDerWaalsContact O-N 3.14Å
831R83.3Confident83.8Confident139 Ų13966.4 Ų66.453%0.52533%0.329SS..EExtended strand (participates in β ladder)trans-78.8151.5175.3-80-159.3173.9-169.2-2.8113.1H838 E904R831-H838 HydrophobicContact CB-CB 4.05Å; R831-H838 PolarHBondContact O-N 3.33Å; R831-E904 WeakPolarHBondContact CA-OE1 3.34Å; R831-E904 WeakPolarHBondContact CB-OE1 3.48Å; R831-E904 WeakPolarHBondContact CG-OE1 3.47Å
832G80.1Confident83.5Confident0 Ų069 Ų690%033%0.334CS..EExtended strand (participates in β ladder)trans76.6-144.2-177.500000112.5Y903 E904 D905G832-Y903 WeakPolarHBondContact O-CB 3.47Å; G832-E904 PolarHBondContact N-OE1 3.39Å; G832-E904 PolarHBondContact O-N 2.82Å; G832-D905 WeakPolarHBondContact CA-OD2 3.43Å; G832-D905 WeakPolarHBondContact O-CB 3.49Å; G832-D905 VanDerWaalsContact O-CG 3.28Å; G832-D905 PolarHBondContact O-N 3.4Å
833S81Confident83.2Confident24 Ų2467.1 Ų67.117%0.16833%0.33CS..EExtended strand (participates in β ladder)trans-117.3163.3176.965.80000111.2R835 N836 P837 D905S833-R835 PolarHBondContact O-N 3.43Å; S833-R835 VanDerWaalsContact O-N 3.1Å; S833-N836 PolarHBondContact N-O 3.04Å; S833-N836 CarbonylContact O-C 3.59Å; S833-N836 PolarHBondContact O-N 3.37Å; S833-N836 PolarHBondContact OG-N 3.26Å; S833-N836 VanDerWaalsContact OG-N 3.14Å; S833-P837 WeakPolarHBondContact O-CA 3.3Å; S833-P837 VanDerWaalsContact O-N 3.08Å; S833-D905 PolarHBondContact N-OD2 3.04Å
834R81.4Confident83Confident141 Ų14169.5 Ų69.553%0.53234%0.343SS..THydrogen-bonded Turntrans-56.4-29.8174.6-177.9172.6175.9163.3-2.2113.5E899 Y903 D906R834-E899 IonicContact CZ-OE1 2.79Å; R834-E899 IonicContact NH1-OE1 3.42Å; R834-E899 PolarHBondContact NH1-OE1 3.06Å; R834-E899 IonicContact NH1-OE2 3.92Å; R834-E899 PolarHBondContact NH1-OE2 3.31Å; R834-Y903 HydrophobicContact CB-CD2 3.63Å; R834-Y903 HydrophobicContact CB-CE2 3.87Å; R834-Y903 HydrophobicContact CB-CG 4.38Å; R834-Y903 HydrophobicContact CG-CD2 4.27Å; R834-Y903 HydrophobicContact CG-CE2 4.05Å; R834-D906 WeakPolarHBondContact CB-OD2 3.35Å; R834-D906 PolarHBondContact N-OD2 3.12Å
835R78.3Confident83Confident240 Ų24069.5 Ų69.591%0.90634%0.343SS*.THydrogen-bonded Turntrans-84.6-24.9179.7-65.6-175.3-179-169.80.9112.9S833S833-R835 PolarHBondContact O-N 3.43Å; S833-R835 VanDerWaalsContact O-N 3.1Å
836N76.8Confident83Confident99 Ų9969.2 Ų69.253%0.52934%0.34SS..EExtended strand (participates in β ladder)trans-141.277.5178.4-168.437.1000110.1S833 H838S833-N836 PolarHBondContact N-O 3.04Å; S833-N836 CarbonylContact O-C 3.59Å; S833-N836 PolarHBondContact O-N 3.37Å; S833-N836 PolarHBondContact OG-N 3.26Å; S833-N836 VanDerWaalsContact OG-N 3.14Å; N836-H838 PolarHBondContact ND2-NE2 2.72Å
837P78.6Confident83.1Confident66 Ų6667.6 Ų67.643%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-72.6130.8-179.226.9-32.5000110.9S833 G839 Y903S833-P837 WeakPolarHBondContact O-CA 3.3Å; S833-P837 VanDerWaalsContact O-N 3.08Å; P837-G839 PolarHBondContact O-N 3.13Å; P837-Y903 HydrophobicContact CB-CE1 3.8Å
838H77.1Confident83.1Confident110 Ų11069.5 Ų69.551%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-92.381.6177.3-66.5142.6000110.8R831 N836R831-H838 HydrophobicContact CB-CB 4.05Å; R831-H838 PolarHBondContact O-N 3.33Å; N836-H838 PolarHBondContact ND2-NE2 2.72Å
839G68.8Low83.1Confident55 Ų5565.5 Ų65.557%0.56732%0.321SS*.EExtended strand (participates in β ladder)trans81.717317800000114.6P837 H841P837-G839 PolarHBondContact O-N 3.13Å; G839-H841 VanDerWaalsContact C-N 3.3Å; G839-H841 PolarHBondContact O-N 3.41Å
840D71.1Confident83Confident163 Ų16365.8 Ų65.887%0.87232%0.322SS*.EExtended strand (participates in β ladder)trans-85.81.8-175.4-74.9-31.2000114.2K842D840-K842 PolarHBondContact O-N 3.11Å
841H73.4Confident83.1Confident114 Ų11466.6 Ų66.653%0.52832%0.324SS..EExtended strand (participates in β ladder)trans-74.2125.9-176-164.461.5000111.6G839G839-H841 VanDerWaalsContact C-N 3.3Å; G839-H841 PolarHBondContact O-N 3.41Å
842K84.4Confident83.1Confident99 Ų9965 Ų6543%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-122.1125.3177.7-62.9174.9-172.4174.70110.3F828 I829 D840 V901F828-K842 HydrophobicContact CB-CB 4.25Å; F828-K842 HydrophobicContact CB-CD 4.5Å; F828-K842 HydrophobicContact CD1-CB 4.23Å; I829-K842 CarbonylContact O-C 3.47Å; I829-K842 WeakPolarHBondContact O-CA 3.36Å; D840-K842 PolarHBondContact O-N 3.11Å; K842-V901 HydrophobicContact CD-CG1 3.93Å; K842-V901 HydrophobicContact CD-CG2 4.26Å; K842-V901 HydrophobicContact CG-CG1 4.45Å
843A86Confident83.1Confident15 Ų1575.4 Ų75.412%0.12437%0.371CS..EExtended strand (participates in β ladder)trans-84.3133.6172.900000110.7F828 I829 V919 I923F828-A843 CarbonylContact C-O 3.51Å; F828-A843 VanDerWaalsContact CA-O 3.31Å; F828-A843 WeakPolarHBondContact CA-O 3.38Å; I829-A843 PolarHBondContact N-O 3.32Å; I829-A843 PolarHBondContact O-N 3.21Å; A843-V919 HydrophobicContact CB-CG1 3.66Å; A843-I923 HydrophobicContact CB-CD1 3.69Å
844N90.3Very high82.9Confident50 Ų5080.1 Ų80.127%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-89.5119170.9-174.98.2000110I827 F828 G846 N848I827-N844 PolarHBondContact N-OD1 2.97Å; I827-N844 VanDerWaalsContact N-OD1 3.09Å; I827-N844 CarbonylContact O-C 3.59Å; I827-N844 VanDerWaalsContact O-CA 3.24Å; I827-N844 WeakPolarHBondContact O-CA 3.41Å; I827-N844 PolarHBondContact O-OD1 3.03Å; I827-N844 VanDerWaalsContact O-OD1 3.07Å; F828-N844 HydrophobicContact CD1-CB 4.08Å; F828-N844 HydrophobicContact CE1-CB 3.82Å; N844-G846 PolarHBondContact OD1-N 3.17Å; N844-N848 PolarHBondContact ND2-ND2 3.01Å; N844-N848 PolarHBondContact ND2-OD1 2.78Å
845V92.1Very high83Confident0 Ų075.5 Ų75.50%038%0.375CS..  trans-11311177.1-58.90000112.5I827 I829 Y882 L889 V919 I922 I923 L926I827-V845 HydrophobicContact CB-CG2 3.92Å; I827-V845 HydrophobicContact CG2-CG2 3.66Å; I827-V845 PolarHBondContact O-N 3.39Å; I829-V845 HydrophobicContact CD1-CB 4.4Å; I829-V845 HydrophobicContact CD1-CG1 4.02Å; I829-V845 HydrophobicContact CD1-CG2 3.55Å; I829-V845 HydrophobicContact CG1-CG2 3.84Å; V845-Y882 WeakPolarHBondContact O-CE1 3.42Å; V845-Y882 PolarHBondContact O-OH 3.23Å; V845-L889 HydrophobicContact CG2-CD2 4.14Å; V845-V919 HydrophobicContact CG1-CG1 4.34Å; V845-I922 HydrophobicContact CB-CG2 3.97Å; V845-I922 HydrophobicContact CG1-CG2 4.06Å; V845-I923 HydrophobicContact CG1-CG1 4.31Å; V845-L926 HydrophobicContact CB-CD1 4.42Å; V845-L926 WeakPolarHBondContact O-CD1 3.27Å
846G90.6Very high83.4Confident2 Ų266.6 Ų66.62%0.02134%0.344CS..SBendtrans-76.7153.7173.100000112.4G825 N844 N848G825-G846 CarbonylContact O-C 3.59Å; G825-G846 WeakPolarHBondContact O-CA 3.21Å; N844-G846 PolarHBondContact OD1-N 3.17Å; G846-N848 PolarHBondContact O-N 2.93Å; G846-N848 PolarHBondContact O-ND2 2.74Å
847L91.8Very high84Confident9 Ų962.4 Ų62.45%0.04732%0.321CS..  trans-67.3-16.9175.9-64.7170.3000112.7F823 G825 L849 L878 L879 Y882 W925 L926F823-L847 VanDerWaalsContact O-CB 3.23Å; F823-L847 WeakPolarHBondContact O-CB 3.23Å; F823-L847 WeakPolarHBondContact O-CG 3.37Å; F823-L847 PolarHBondContact O-N 2.9Å; G825-L847 PolarHBondContact O-N 2.99Å; L847-L849 HydrophobicContact CB-CD1 4.07Å; L847-L849 HydrophobicContact CB-CG 3.92Å; L847-L849 HydrophobicContact CD1-CD1 4.15Å; L847-L849 PolarHBondContact O-N 3.4Å; L847-L878 HydrophobicContact CD1-CD2 4.39Å; L847-L878 HydrophobicContact CD1-CG 4.15Å; L847-L878 HydrophobicContact CD2-CD1 4.13Å; L847-L878 HydrophobicContact CD2-CD2 4.01Å; L847-L878 HydrophobicContact CD2-CG 3.86Å; L847-L879 HydrophobicContact CD1-CD2 3.55Å; L847-L879 HydrophobicContact CD1-CG 3.96Å; L847-Y882 HydrophobicContact CD1-CD1 4.32Å; L847-Y882 HydrophobicContact CD2-CD1 3.77Å; L847-Y882 HydrophobicContact CD2-CE1 4.3Å; L847-Y882 HydrophobicContact CG-CD1 3.89Å; L847-Y882 HydrophobicContact CG-CE1 4.31Å; L847-W925 HydrophobicContact CD2-CH2 4.34Å; L847-W925 HydrophobicContact CD2-CZ3 4.46Å; L847-L926 HydrophobicContact CD2-CD2 3.63Å
848N91.1Very high84.5Confident41 Ų4159.5 Ų59.522%0.21930%0.302CS..  trans53.940.6177.7-61.7-57.1000113.2G825 S826 N844 G846 F851G825-N848 WeakPolarHBondContact O-CA 3.36Å; G825-N848 PolarHBondContact O-N 3.3Å; S826-N848 PolarHBondContact OG-OD1 3.36Å; N844-N848 PolarHBondContact ND2-ND2 3.01Å; N844-N848 PolarHBondContact ND2-OD1 2.78Å; G846-N848 PolarHBondContact O-N 2.93Å; G846-N848 PolarHBondContact O-ND2 2.74Å; N848-F851 HydrophobicContact CB-CE1 4.07Å; N848-F851 HydrophobicContact CB-CZ 3.73Å; N848-F851 WeakPolarHBondContact O-CE2 3.46Å; N848-F851 WeakPolarHBondContact O-CZ 3.46Å
849L91.1Very high84.9Confident1 Ų156.1 Ų56.11%0.00529%0.289CS..  trans-85.1-13.1175.6-64.6175.5000112.5T824 L847 V858 Y861 T862 A875 L878 V931T824-L849 HydrophobicContact CG2-CD1 4.26Å; T824-L849 CarbonylContact O-C 3.49Å; T824-L849 WeakPolarHBondContact O-CA 3.37Å; T824-L849 WeakPolarHBondContact O-CB 3.35Å; T824-L849 PolarHBondContact O-N 3.02Å; L847-L849 HydrophobicContact CB-CD1 4.07Å; L847-L849 HydrophobicContact CB-CG 3.92Å; L847-L849 HydrophobicContact CD1-CD1 4.15Å; L847-L849 PolarHBondContact O-N 3.4Å; L849-V858 HydrophobicContact CD2-CB 4.12Å; L849-V858 HydrophobicContact CD2-CG1 4.08Å; L849-V858 HydrophobicContact CD2-CG2 4.34Å; L849-V858 PolarHBondContact O-N 3.27Å; L849-Y861 HydrophobicContact CD1-CD1 4.08Å; L849-Y861 HydrophobicContact CD2-CD1 3.95Å; L849-Y861 HydrophobicContact CD2-CG 3.83Å; L849-T862 HydrophobicContact CB-CG2 3.62Å; L849-T862 PolarHBondContact O-OG1 2.94Å; L849-A875 HydrophobicContact CD1-CB 4.34Å; L849-L878 HydrophobicContact CD1-CD2 4.27Å; L849-V931 HydrophobicContact CD2-CG2 3.39Å
850K90.2Very high85.7Confident9 Ų954.2 Ų54.24%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-146.2147.9178.670.5-178-176.2-177.70113.2S821 T824 W869 Y871S821-K850 WeakPolarHBondContact O-CE 3.21Å; S821-K850 PolarHBondContact O-NZ 3.03Å; S821-K850 PolarHBondContact OG-NZ 2.97Å; T824-K850 PolarHBondContact O-N 3.47Å; T824-K850 VanDerWaalsContact O-N 3.12Å; T824-K850 WeakPolarHBondContact OG1-CE 3.17Å; K850-W869 HydrophobicContact CB-CD2 4.16Å; K850-W869 HydrophobicContact CB-CE3 3.99Å; K850-W869 HydrophobicContact CB-CH2 3.7Å; K850-W869 HydrophobicContact CB-CZ2 3.86Å; K850-W869 HydrophobicContact CB-CZ3 3.75Å; K850-W869 HydrophobicContact CD-CD2 3.89Å; K850-W869 HydrophobicContact CD-CE3 4.38Å; K850-W869 HydrophobicContact CD-CG 4.04Å; K850-Y871 PolarHBondContact NZ-OH 3.32Å; K850-Y871 VanDerWaalsContact NZ-OH 3.09Å
851F87.9Confident86.7Confident22 Ų2248.4 Ų48.410%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-137.887.3-175.5-53.7-89.1000112.3N848 K853 K854 N855 E856 V858 R936N848-F851 HydrophobicContact CB-CE1 4.07Å; N848-F851 HydrophobicContact CB-CZ 3.73Å; N848-F851 WeakPolarHBondContact O-CE2 3.46Å; N848-F851 WeakPolarHBondContact O-CZ 3.46Å; F851-K853 PolarHBondContact O-N 3.4Å; F851-K854 HydrophobicContact CB-CB 4.13Å; F851-K854 PolarHBondContact O-N 3.3Å; F851-N855 PolarHBondContact O-N 3.44Å; F851-E856 HydrophobicContact CB-CB 4.11Å; F851-E856 HydrophobicContact CD2-CB 4.04Å; F851-E856 HydrophobicContact CG-CB 4.44Å; F851-E856 PolarHBondContact N-O 3.08Å; F851-E856 PolarHBondContact O-N 3.35Å; F851-V858 HydrophobicContact CE2-CG2 4.31Å; F851-R936 HydrophobicContact CE2-CG 3.89Å
852N82.6Confident87.6Confident104 Ų10443 Ų4356%0.55621%0.211SC*.THydrogen-bonded Turntrans-56.6-44-178.2-69.1-27.8000113.8K854 N855 W869N852-K854 VanDerWaalsContact C-N 3.3Å; N852-K854 PolarHBondContact O-N 3.4Å; N852-N855 PolarHBondContact O-N 3.35Å; N852-W869 WeakPolarHBondContact OD1-CZ2 3.44Å; N852-W869 PolarHBondContact OD1-NE1 2.87Å
853K79.9Confident87.9Confident219 Ų21941.7 Ų41.795%0.95221%0.206SC*.THydrogen-bonded Turntrans-68-29-177.7-70.9-174178.5-179.80113.3F851F851-K853 PolarHBondContact O-N 3.4Å
854K76.8Confident88.1Confident123 Ų12343.4 Ų43.454%0.53521%0.21SC..THydrogen-bonded Turntrans-96.9-9-179.3-62.4-173.4174.8-172.50113F851 N852 E856F851-K854 HydrophobicContact CB-CB 4.13Å; F851-K854 PolarHBondContact O-N 3.3Å; N852-K854 VanDerWaalsContact C-N 3.3Å; N852-K854 PolarHBondContact O-N 3.4Å; K854-E856 VanDerWaalsContact C-N 3.26Å; K854-E856 HydrophobicContact CB-CB 4.38Å; K854-E856 HydrophobicContact CB-CG 3.8Å; K854-E856 WeakPolarHBondContact CD-OE2 3.26Å; K854-E856 PolarHBondContact O-N 2.95Å
855N83.6Confident87.9Confident44 Ų4445 Ų4524%0.23522%0.222CC..THydrogen-bonded Turntrans53.742.8-170.2-157.548.9000112.4F851 N852 K864 C939 D940F851-N855 PolarHBondContact O-N 3.44Å; N852-N855 PolarHBondContact O-N 3.35Å; N855-K864 PolarHBondContact OD1-NZ 3.02Å; N855-C939 PolarHBondContact O-N 2.91Å; N855-C939 PolarHBondContact O-SG 3.46Å; N855-D940 PolarHBondContact ND2-OD1 3.08Å; N855-D940 PolarHBondContact ND2-OD2 3.33Å
856E86.6Confident87.5Confident54 Ų5448.1 Ų48.125%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-115.4147.6-179.8-61.5166177.300111.6F851 K854 W869 S937F851-E856 HydrophobicContact CB-CB 4.11Å; F851-E856 HydrophobicContact CD2-CB 4.04Å; F851-E856 HydrophobicContact CG-CB 4.44Å; F851-E856 PolarHBondContact N-O 3.08Å; F851-E856 PolarHBondContact O-N 3.35Å; K854-E856 VanDerWaalsContact C-N 3.26Å; K854-E856 HydrophobicContact CB-CB 4.38Å; K854-E856 HydrophobicContact CB-CG 3.8Å; K854-E856 WeakPolarHBondContact CD-OE2 3.26Å; K854-E856 PolarHBondContact O-N 2.95Å; E856-W869 WeakPolarHBondContact O-CH2 3.24Å; E856-S937 CarbonylContact C-O 3.47Å; E856-S937 VanDerWaalsContact CA-O 3.22Å; E856-S937 WeakPolarHBondContact CA-O 3.33Å
857E90Very high87.2Confident11 Ų1155.4 Ų55.45%0.05129%0.292CS..EExtended strand (participates in β ladder)trans-125.9167.6175.264.3-173.6-143.600112K863 K864 W869 R936 S937 C939E857-K863 WeakPolarHBondContact OE2-CA 3.41Å; E857-K864 PolarHBondContact OE2-N 3.15Å; E857-W869 HydrophobicContact CB-CH2 4.16Å; E857-W869 HydrophobicContact CB-CZ3 3.81Å; E857-R936 CarbonylContact O-C 3.46Å; E857-R936 WeakPolarHBondContact O-CA 3.31Å; E857-S937 PolarHBondContact N-O 3.34Å; E857-S937 PolarHBondContact O-N 3.44Å; E857-C939 PolarHBondContact OE2-SG 2.97Å
858V88.5Confident87.1Confident4 Ų461.2 Ų61.22%0.02432%0.319CS..  trans-110.4104.8174.8177.70000108.3L849 F851 G860 Y861 T862 L934 R936L849-V858 HydrophobicContact CD2-CB 4.12Å; L849-V858 HydrophobicContact CD2-CG1 4.08Å; L849-V858 HydrophobicContact CD2-CG2 4.34Å; L849-V858 PolarHBondContact O-N 3.27Å; F851-V858 HydrophobicContact CE2-CG2 4.31Å; V858-G860 PolarHBondContact O-N 2.95Å; V858-Y861 HydrophobicContact CG1-CD2 4.21Å; V858-Y861 PolarHBondContact O-N 3.12Å; V858-Y861 VanDerWaalsContact O-N 3.09Å; V858-T862 PolarHBondContact N-OG1 2.65Å; V858-T862 PolarHBondContact O-N 3.3Å; V858-T862 VanDerWaalsContact O-N 3.1Å; V858-L934 HydrophobicContact CG1-CB 4.05Å; V858-L934 HydrophobicContact CG1-CD1 4.15Å; V858-R936 HydrophobicContact CG2-CG 4.19Å
859P85.9Confident87.1Confident39 Ų3960.7 Ų60.725%0.25331%0.314SS..THydrogen-bonded Turntrans-52.6137.3-177.6-28.135.9000112.4Y861 S935 S937 I943P859-Y861 VanDerWaalsContact C-N 3.28Å; P859-Y861 PolarHBondContact O-N 2.7Å; P859-S935 WeakPolarHBondContact CD-O 3.38Å; P859-S937 WeakPolarHBondContact CG-OG 3.43Å; P859-I943 HydrophobicContact CG-CD1 3.78Å
860G86.4Confident87.2Confident16 Ų1662.1 Ų62.117%0.16532%0.321CS..THydrogen-bonded Turntrans84.7-13.9-177.800000115.3Y803 V858 S872Y803-G860 WeakPolarHBondContact OH-CA 3.42Å; Y803-G860 PolarHBondContact OH-N 3.35Å; V858-G860 PolarHBondContact O-N 2.95Å; G860-S872 WeakPolarHBondContact O-CB 3.39Å; G860-S872 PolarHBondContact O-OG 3.44Å
861Y91.4Very high87.5Confident40 Ų4062 Ų6216%0.15732%0.32CS..THydrogen-bonded Turntrans-113.9-53.1178.1-76.4-99.1000112.1L849 V858 P859 Y871 S872 A874 A875 L878 V931 L934L849-Y861 HydrophobicContact CD1-CD1 4.08Å; L849-Y861 HydrophobicContact CD2-CD1 3.95Å; L849-Y861 HydrophobicContact CD2-CG 3.83Å; V858-Y861 HydrophobicContact CG1-CD2 4.21Å; V858-Y861 PolarHBondContact O-N 3.12Å; V858-Y861 VanDerWaalsContact O-N 3.09Å; P859-Y861 VanDerWaalsContact C-N 3.28Å; P859-Y861 PolarHBondContact O-N 2.7Å; Y861-Y871 WeakPolarHBondContact O-CA 3.47Å; Y861-S872 WeakPolarHBondContact CA-OG 3.47Å; Y861-S872 PolarHBondContact O-N 2.98Å; Y861-S872 PolarHBondContact O-OG 3.16Å; Y861-A874 HydrophobicContact CD1-CB 4.21Å; Y861-A874 HydrophobicContact CE1-CB 3.88Å; Y861-A875 HydrophobicContact CD1-CB 4.11Å; Y861-A875 WeakPolarHBondContact O-CB 3.49Å; Y861-L878 HydrophobicContact CD1-CD2 4.23Å; Y861-L878 HydrophobicContact CE1-CB 4.44Å; Y861-L878 HydrophobicContact CE1-CD2 3.82Å; Y861-V931 HydrophobicContact CD1-CG2 4.39Å; Y861-V931 HydrophobicContact CE1-CG2 4.14Å; Y861-V931 HydrophobicContact CE2-CG2 4.44Å; Y861-L934 HydrophobicContact CD2-CD1 3.7Å; Y861-L934 HydrophobicContact CE2-CD1 3.22Å
862T91.9Very high87.8Confident0 Ų061 Ų610%032%0.316CS..EExtended strand (participates in β ladder)trans-127.5150.5-177.754.90000110.1L849 V858 M870 Y871L849-T862 HydrophobicContact CB-CG2 3.62Å; L849-T862 PolarHBondContact O-OG1 2.94Å; V858-T862 PolarHBondContact N-OG1 2.65Å; V858-T862 PolarHBondContact O-N 3.3Å; V858-T862 VanDerWaalsContact O-N 3.1Å; T862-M870 CarbonylContact C-O 3.32Å; T862-M870 WeakPolarHBondContact CA-O 3.33Å; T862-Y871 HydrophobicContact CG2-CD1 3.77Å; T862-Y871 HydrophobicContact CG2-CE1 3.96Å
863K90.6Very high88.2Confident73 Ų7359.2 Ų59.232%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-145.9133.8174.9-171.9167.5-171.2165.90110.1Y803 E857 V865 M870Y803-K863 HydrophobicContact CD1-CB 3.8Å; Y803-K863 HydrophobicContact CD2-CD 4.2Å; Y803-K863 HydrophobicContact CE1-CB 3.73Å; Y803-K863 HydrophobicContact CE2-CB 4.48Å; Y803-K863 HydrophobicContact CE2-CD 4.03Å; Y803-K863 HydrophobicContact CG-CB 4.22Å; E857-K863 WeakPolarHBondContact OE2-CA 3.41Å; K863-V865 HydrophobicContact CG-CG2 4.25Å; K863-M870 PolarHBondContact N-O 3.34Å; K863-M870 WeakPolarHBondContact O-CA 3.35Å; K863-M870 WeakPolarHBondContact O-CB 3.34Å; K863-M870 PolarHBondContact O-N 3.02Å
864K90.4Very high88.7Confident50 Ų5050.3 Ų50.322%0.21728%0.279CS..EExtended strand (participates in β ladder)trans-93.2121.4174.6-166.8176.4172.6-173.40109.7N855 E857 E868 W869 C939N855-K864 PolarHBondContact OD1-NZ 3.02Å; E857-K864 PolarHBondContact OE2-N 3.15Å; K864-E868 WeakPolarHBondContact CA-O 3.49Å; K864-W869 HydrophobicContact CB-CD2 4.44Å; K864-W869 HydrophobicContact CB-CE3 4.06Å; K864-W869 HydrophobicContact CB-CH2 4.05Å; K864-W869 HydrophobicContact CB-CZ2 4.43Å; K864-W869 HydrophobicContact CB-CZ3 3.86Å; K864-W869 HydrophobicContact CD-CH2 4.28Å; K864-W869 HydrophobicContact CD-CZ2 4.02Å; K864-W869 HydrophobicContact CG-CZ2 4.46Å; K864-C939 HydrophobicContact CB-CB 4.05Å; K864-C939 HydrophobicContact CD-CB 4.17Å
865V86.5Confident89.5Confident85 Ų8544.5 Ų44.552%0.51525%0.254SS..EExtended strand (participates in β ladder)trans-119.8109.1177.3-177.80000108K863 N867 E868 M870K863-V865 HydrophobicContact CG-CG2 4.25Å; V865-N867 PolarHBondContact O-N 3.16Å; V865-E868 PolarHBondContact N-O 3.18Å; V865-E868 PolarHBondContact O-N 2.97Å; V865-E868 VanDerWaalsContact O-N 3.07Å; V865-M870 HydrophobicContact CB-CG 4.11Å; V865-M870 HydrophobicContact CG2-CG 3.81Å
866G84.3Confident90Very high64 Ų6444 Ų4466%0.6625%0.25SC*.THydrogen-bonded Turntrans61.2-118.2-168.700000110.9
867N83.9Confident90.3Very high156 Ų15647.8 Ų47.883%0.83427%0.268SS*.THydrogen-bonded Turntrans-101.73.9176.4-81.5-13.4000113.8V865V865-N867 PolarHBondContact O-N 3.16Å
868E88.7Confident90.5Very high131 Ų13147.5 Ų47.561%0.61227%0.267SS*.EExtended strand (participates in β ladder)trans-107.9142.1-175.3-62.7-167.715800112.1K864 V865K864-E868 WeakPolarHBondContact CA-O 3.49Å; V865-E868 PolarHBondContact N-O 3.18Å; V865-E868 PolarHBondContact O-N 2.97Å; V865-E868 VanDerWaalsContact O-N 3.07Å
869W92.9Very high90.8Very high30 Ų3047.4 Ų47.411%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-91127.2174-75.7101.8000110.4K850 N852 E856 E857 K864 Y871K850-W869 HydrophobicContact CB-CD2 4.16Å; K850-W869 HydrophobicContact CB-CE3 3.99Å; K850-W869 HydrophobicContact CB-CH2 3.7Å; K850-W869 HydrophobicContact CB-CZ2 3.86Å; K850-W869 HydrophobicContact CB-CZ3 3.75Å; K850-W869 HydrophobicContact CD-CD2 3.89Å; K850-W869 HydrophobicContact CD-CE3 4.38Å; K850-W869 HydrophobicContact CD-CG 4.04Å; N852-W869 WeakPolarHBondContact OD1-CZ2 3.44Å; N852-W869 PolarHBondContact OD1-NE1 2.87Å; E856-W869 WeakPolarHBondContact O-CH2 3.24Å; E857-W869 HydrophobicContact CB-CH2 4.16Å; E857-W869 HydrophobicContact CB-CZ3 3.81Å; K864-W869 HydrophobicContact CB-CD2 4.44Å; K864-W869 HydrophobicContact CB-CE3 4.06Å; K864-W869 HydrophobicContact CB-CH2 4.05Å; K864-W869 HydrophobicContact CB-CZ2 4.43Å; K864-W869 HydrophobicContact CB-CZ3 3.86Å; K864-W869 HydrophobicContact CD-CH2 4.28Å; K864-W869 HydrophobicContact CD-CZ2 4.02Å; K864-W869 HydrophobicContact CG-CZ2 4.46Å; W869-Y871 HydrophobicContact CB-CE2 4Å; W869-Y871 WeakPolarHBondContact CB-OH 3.27Å; W869-Y871 VanDerWaalsContact O-CE2 3.26Å; W869-Y871 WeakPolarHBondContact O-CE2 3.21Å
870M93.2Very high91.2Very high31 Ų3147.5 Ų47.515%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-111.4148.3178-50.5-67-74.200109.2Y803 N804 P805 T862 K863 V865Y803-M870 HydrophobicContact CD1-CB 4.5Å; Y803-M870 HydrophobicContact CG-CB 4.44Å; N804-M870 WeakPolarHBondContact O-CA 3.47Å; P805-M870 HydrophobicContact CB-SD 4.27Å; P805-M870 HydrophobicContact CG-CE 3.79Å; P805-M870 HydrophobicContact CG-SD 4.04Å; T862-M870 CarbonylContact C-O 3.32Å; T862-M870 WeakPolarHBondContact CA-O 3.33Å; K863-M870 PolarHBondContact N-O 3.34Å; K863-M870 WeakPolarHBondContact O-CA 3.35Å; K863-M870 WeakPolarHBondContact O-CB 3.34Å; K863-M870 PolarHBondContact O-N 3.02Å; V865-M870 HydrophobicContact CB-CG 4.11Å; V865-M870 HydrophobicContact CG2-CG 3.81Å
871Y95.1Very high91.5Very high6 Ų650.3 Ų50.32%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-132.8138-171-54.4-91000110.7Y803 N804 L809 V820 T824 K850 Y861 T862 W869Y803-Y871 CarbonylContact C-O 3.47Å; Y803-Y871 WeakPolarHBondContact CA-O 3.35Å; N804-Y871 PolarHBondContact N-O 2.75Å; N804-Y871 PolarHBondContact O-N 3.07Å; L809-Y871 HydrophobicContact CD2-CD2 4.42Å; L809-Y871 HydrophobicContact CD2-CG 3.86Å; V820-Y871 HydrophobicContact CG1-CD1 4.42Å; V820-Y871 HydrophobicContact CG1-CD2 4.32Å; V820-Y871 HydrophobicContact CG1-CE1 4.2Å; V820-Y871 HydrophobicContact CG1-CE2 4.07Å; V820-Y871 HydrophobicContact CG1-CG 4.49Å; T824-Y871 HydrophobicContact CG2-CD1 3.97Å; T824-Y871 HydrophobicContact CG2-CE1 3.66Å; T824-Y871 WeakPolarHBondContact OG1-CE1 3.47Å; K850-Y871 PolarHBondContact NZ-OH 3.32Å; K850-Y871 VanDerWaalsContact NZ-OH 3.09Å; Y861-Y871 WeakPolarHBondContact O-CA 3.47Å; T862-Y871 HydrophobicContact CG2-CD1 3.77Å; T862-Y871 HydrophobicContact CG2-CE1 3.96Å; W869-Y871 HydrophobicContact CB-CE2 4Å; W869-Y871 WeakPolarHBondContact CB-OH 3.27Å; W869-Y871 VanDerWaalsContact O-CE2 3.26Å; W869-Y871 WeakPolarHBondContact O-CE2 3.21Å
872S94.1Very high91.7Very high2 Ų248.4 Ų48.41%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-82.5172.3178.978.50000112.1G860 Y861 A874 A875 E876G860-S872 WeakPolarHBondContact O-CB 3.39Å; G860-S872 PolarHBondContact O-OG 3.44Å; Y861-S872 WeakPolarHBondContact CA-OG 3.47Å; Y861-S872 PolarHBondContact O-N 2.98Å; Y861-S872 PolarHBondContact O-OG 3.16Å; S872-A874 PolarHBondContact O-N 3.49Å; S872-A874 PolarHBondContact OG-N 2.93Å; S872-A875 PolarHBondContact O-N 3.05Å; S872-A875 PolarHBondContact OG-N 3.43Å; S872-E876 PolarHBondContact O-N 3.27Å; S872-E876 VanDerWaalsContact O-N 3.14Å
873S91.3Very high91.8Very high65 Ų6550.2 Ų50.246%0.45528%0.281SS..Hα-helixtrans-63.3-27.7171.2-167.90000112.9E876 Q877S873-E876 WeakPolarHBondContact O-CB 3.3Å; S873-E876 PolarHBondContact O-N 2.95Å; S873-Q877 WeakPolarHBondContact O-CG 3.45Å; S873-Q877 PolarHBondContact O-N 2.68Å
874A91.4Very high91.9Very high33 Ų3354.8 Ų54.827%0.27330%0.303SS..Hα-helixtrans-71.3-38.417700000111.2Y861 S872 E876 Q877 L878Y861-A874 HydrophobicContact CD1-CB 4.21Å; Y861-A874 HydrophobicContact CE1-CB 3.88Å; S872-A874 PolarHBondContact O-N 3.49Å; S872-A874 PolarHBondContact OG-N 2.93Å; A874-E876 VanDerWaalsContact C-N 3.31Å; A874-Q877 PolarHBondContact O-N 3.23Å; A874-L878 WeakPolarHBondContact O-CB 3.45Å; A874-L878 PolarHBondContact O-N 3.43Å
875A93.1Very high91.9Very high0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-65.1-36171.800000112.1L849 Y861 S872 L879L849-A875 HydrophobicContact CD1-CB 4.34Å; Y861-A875 HydrophobicContact CD1-CB 4.11Å; Y861-A875 WeakPolarHBondContact O-CB 3.49Å; S872-A875 PolarHBondContact O-N 3.05Å; S872-A875 PolarHBondContact OG-N 3.43Å; A875-L879 WeakPolarHBondContact O-CB 3.48Å; A875-L879 WeakPolarHBondContact O-CG 3.23Å; A875-L879 PolarHBondContact O-N 3.21Å
876E93.9Very high92.2Very high33 Ų3354.3 Ų54.315%0.15429%0.292CS..Hα-helixtrans-62-49.6173.9-171.1179.8154.100111.5L809 R812 L813 S872 S873 A874 L878 L879 A880L809-E876 HydrophobicContact CD2-CB 4.01Å; L809-E876 HydrophobicContact CG-CB 4.04Å; L809-E876 HydrophobicContact CG-CG 4.15Å; R812-E876 WeakPolarHBondContact CB-OE1 3.31Å; R812-E876 WeakPolarHBondContact CD-OE1 3.45Å; R812-E876 WeakPolarHBondContact CD-OE2 3.33Å; R812-E876 IonicContact CZ-OE2 3.42Å; R812-E876 IonicContact NH1-OE2 2.75Å; R812-E876 PolarHBondContact NH1-OE2 3.39Å; L813-E876 HydrophobicContact CD1-CG 4.38Å; L813-E876 HydrophobicContact CD2-CG 4.11Å; L813-E876 HydrophobicContact CG-CG 4.18Å; S872-E876 PolarHBondContact O-N 3.27Å; S872-E876 VanDerWaalsContact O-N 3.14Å; S873-E876 WeakPolarHBondContact O-CB 3.3Å; S873-E876 PolarHBondContact O-N 2.95Å; A874-E876 VanDerWaalsContact C-N 3.31Å; E876-L878 PolarHBondContact O-N 2.85Å; E876-L879 PolarHBondContact O-N 3.39Å; E876-A880 PolarHBondContact O-N 2.92Å
877Q93.3Very high92.6Very high135 Ų13554.4 Ų54.463%0.63128%0.281SS*.Hα-helixtrans-61.2-44.7178.1-73.1171.3-4.400112.3S873 A874 L879 A880 E881S873-Q877 WeakPolarHBondContact O-CG 3.45Å; S873-Q877 PolarHBondContact O-N 2.68Å; A874-Q877 PolarHBondContact O-N 3.23Å; Q877-L879 VanDerWaalsContact C-N 3.35Å; Q877-L879 PolarHBondContact O-N 2.85Å; Q877-A880 WeakPolarHBondContact O-CB 3.47Å; Q877-A880 PolarHBondContact O-N 2.92Å; Q877-A880 VanDerWaalsContact O-N 3.17Å; Q877-E881 PolarHBondContact O-N 2.88Å
878L93.8Very high92.9Very high5 Ų551.7 Ų51.73%0.02626%0.263CS..Hα-helixtrans-64.6-38.8178.6178.655.1000112.3L847 L849 Y861 A874 E876 Y882 W925 V931L847-L878 HydrophobicContact CD1-CD2 4.39Å; L847-L878 HydrophobicContact CD1-CG 4.15Å; L847-L878 HydrophobicContact CD2-CD1 4.13Å; L847-L878 HydrophobicContact CD2-CD2 4.01Å; L847-L878 HydrophobicContact CD2-CG 3.86Å; L849-L878 HydrophobicContact CD1-CD2 4.27Å; Y861-L878 HydrophobicContact CD1-CD2 4.23Å; Y861-L878 HydrophobicContact CE1-CB 4.44Å; Y861-L878 HydrophobicContact CE1-CD2 3.82Å; A874-L878 WeakPolarHBondContact O-CB 3.45Å; A874-L878 PolarHBondContact O-N 3.43Å; E876-L878 PolarHBondContact O-N 2.85Å; L878-Y882 PolarHBondContact O-N 3.31Å; L878-W925 HydrophobicContact CD1-CH2 3.97Å; L878-W925 HydrophobicContact CD1-CZ2 4.05Å; L878-V931 HydrophobicContact CD2-CB 3.97Å; L878-V931 HydrophobicContact CD2-CG1 3.99Å; L878-V931 HydrophobicContact CD2-CG2 3.79Å
879L94.1Very high93Very high2 Ų245.4 Ų45.41%0.0123%0.234CC..Hα-helixtrans-66.2-38.7172.9-79.1167.6000111.8L809 L813 V820 F823 T824 L847 A875 E876 Q877 Y882 I883L809-L879 HydrophobicContact CD2-CD1 4.37Å; L813-L879 HydrophobicContact CD1-CB 3.69Å; L813-L879 HydrophobicContact CD1-CD1 3.99Å; V820-L879 HydrophobicContact CG1-CD1 3.98Å; F823-L879 HydrophobicContact CB-CD2 3.8Å; T824-L879 HydrophobicContact CG2-CD1 3.78Å; T824-L879 HydrophobicContact CG2-CD2 4.16Å; T824-L879 HydrophobicContact CG2-CG 4.24Å; L847-L879 HydrophobicContact CD1-CD2 3.55Å; L847-L879 HydrophobicContact CD1-CG 3.96Å; A875-L879 WeakPolarHBondContact O-CB 3.48Å; A875-L879 WeakPolarHBondContact O-CG 3.23Å; A875-L879 PolarHBondContact O-N 3.21Å; E876-L879 PolarHBondContact O-N 3.39Å; Q877-L879 VanDerWaalsContact C-N 3.35Å; Q877-L879 PolarHBondContact O-N 2.85Å; L879-Y882 PolarHBondContact O-N 3.42Å; L879-I883 WeakPolarHBondContact O-CD1 3.44Å; L879-I883 WeakPolarHBondContact O-CG1 3.03Å; L879-I883 PolarHBondContact O-N 3.26Å
880A94.1Very high93Very high41 Ų4144.4 Ų44.434%0.33923%0.231SC..Hα-helixtrans-61.3-46.817600000111.5L813 E876 Q877 Y882 I883 E884L813-A880 HydrophobicContact CD2-CB 3.66Å; E876-A880 PolarHBondContact O-N 2.92Å; Q877-A880 WeakPolarHBondContact O-CB 3.47Å; Q877-A880 PolarHBondContact O-N 2.92Å; Q877-A880 VanDerWaalsContact O-N 3.17Å; A880-Y882 VanDerWaalsContact C-N 3.3Å; A880-Y882 PolarHBondContact O-N 3.21Å; A880-I883 PolarHBondContact O-N 2.77Å; A880-E884 PolarHBondContact O-N 3.49Å
881E94.3Very high92.9Very high74 Ų7446.1 Ų46.135%0.34625%0.246SC..Hα-helixtrans-58.5-43.3174.6-173-175.5163.600111Q877 I883 E884 R885 W925 H929Q877-E881 PolarHBondContact O-N 2.88Å; E881-I883 PolarHBondContact O-N 2.83Å; E881-E884 PolarHBondContact O-N 3.42Å; E881-R885 WeakPolarHBondContact O-CB 3.28Å; E881-R885 PolarHBondContact O-N 2.85Å; E881-W925 HydrophobicContact CB-CZ2 4.41Å; E881-W925 HydrophobicContact CG-CZ2 3.87Å; E881-W925 WeakPolarHBondContact OE1-CZ2 3.37Å; E881-W925 PolarHBondContact OE1-NE1 3.23Å; E881-H929 IonicContact OE2-CD2 3.87Å; E881-H929 IonicContact OE2-NE2 3.45Å
882Y95.1Very high92.7Very high1 Ų148 Ų480%0.00425%0.253CS..Hα-helixtrans-66.8-39.3179.1-160.2176.9000112.3F823 V845 L847 L878 L879 A880 E884 R885 A886 L889 F890 I922 W925 L926F823-Y882 AromaticContact CD1-CD1 3.93Å; F823-Y882 HydrophobicContact CD1-CD1 3.93Å; F823-Y882 AromaticContact CD1-CE1 3.61Å; F823-Y882 HydrophobicContact CD1-CE1 3.61Å; F823-Y882 HydrophobicContact CE1-CE1 4.05Å; V845-Y882 WeakPolarHBondContact O-CE1 3.42Å; V845-Y882 PolarHBondContact O-OH 3.23Å; L847-Y882 HydrophobicContact CD1-CD1 4.32Å; L847-Y882 HydrophobicContact CD2-CD1 3.77Å; L847-Y882 HydrophobicContact CD2-CE1 4.3Å; L847-Y882 HydrophobicContact CG-CD1 3.89Å; L847-Y882 HydrophobicContact CG-CE1 4.31Å; L878-Y882 PolarHBondContact O-N 3.31Å; L879-Y882 PolarHBondContact O-N 3.42Å; A880-Y882 VanDerWaalsContact C-N 3.3Å; A880-Y882 PolarHBondContact O-N 3.21Å; Y882-E884 VanDerWaalsContact C-N 3.32Å; Y882-E884 PolarHBondContact O-N 3.01Å; Y882-R885 PolarHBondContact O-N 2.96Å; Y882-A886 HydrophobicContact CD2-CB 4.05Å; Y882-A886 HydrophobicContact CE2-CB 3.73Å; Y882-A886 PolarHBondContact O-N 3.23Å; Y882-L889 WeakPolarHBondContact OH-CD2 3.25Å; Y882-F890 HydrophobicContact CD1-CE2 4.27Å; Y882-F890 HydrophobicContact CD1-CZ 4.28Å; Y882-F890 HydrophobicContact CD2-CE2 4.03Å; Y882-F890 HydrophobicContact CE2-CE2 4.46Å; Y882-F890 AromaticContact CG-CE2 3.88Å; Y882-F890 HydrophobicContact CG-CE2 3.88Å; Y882-F890 HydrophobicContact CG-CZ 4.18Å; Y882-I922 HydrophobicContact CE2-CG2 3.94Å; Y882-I922 VanDerWaalsContact OH-CG2 3.27Å; Y882-I922 WeakPolarHBondContact OH-CG2 3.31Å; Y882-W925 HydrophobicContact CD1-CH2 4.37Å; Y882-W925 HydrophobicContact CD1-CZ3 4.04Å; Y882-W925 HydrophobicContact CD2-CH2 4.24Å; Y882-W925 AromaticContact CD2-CZ3 3.73Å; Y882-W925 HydrophobicContact CD2-CZ3 3.73Å; Y882-W925 HydrophobicContact CE1-CZ3 4.42Å; Y882-W925 HydrophobicContact CE2-CZ3 4.19Å; Y882-W925 AromaticContact CG-CH2 3.89Å; Y882-W925 HydrophobicContact CG-CH2 3.89Å; Y882-W925 AromaticContact CG-CZ3 3.69Å; Y882-W925 HydrophobicContact CG-CZ3 3.69Å; Y882-L926 HydrophobicContact CE1-CD2 4.47Å
883I93.8Very high92.6Very high38 Ų3848 Ų4820%0.19525%0.252CS..Hα-helixtrans-61.7-42.9176.1-70.9162.4000110.6L813 V815 L879 A880 E881 R885 P887 F890L813-I883 HydrophobicContact CB-CD1 4.15Å; L813-I883 HydrophobicContact CD2-CD1 4.46Å; V815-I883 HydrophobicContact CG1-CD1 3.75Å; V815-I883 HydrophobicContact CG1-CG1 4.49Å; V815-I883 HydrophobicContact CG2-CD1 4.5Å; L879-I883 WeakPolarHBondContact O-CD1 3.44Å; L879-I883 WeakPolarHBondContact O-CG1 3.03Å; L879-I883 PolarHBondContact O-N 3.26Å; A880-I883 PolarHBondContact O-N 2.77Å; E881-I883 PolarHBondContact O-N 2.83Å; I883-R885 VanDerWaalsContact C-N 3.31Å; I883-R885 PolarHBondContact O-N 3.02Å; I883-P887 WeakPolarHBondContact O-CA 3.43Å; I883-P887 WeakPolarHBondContact O-CB 3.41Å; I883-P887 WeakPolarHBondContact O-CD 3.46Å; I883-F890 HydrophobicContact CB-CE2 4.44Å; I883-F890 HydrophobicContact CD1-CD1 4.49Å; I883-F890 HydrophobicContact CD1-CE1 4.13Å; I883-F890 HydrophobicContact CD1-CZ 4.49Å; I883-F890 HydrophobicContact CG1-CD1 3.75Å; I883-F890 HydrophobicContact CG1-CD2 4.09Å; I883-F890 HydrophobicContact CG1-CE1 3.45Å; I883-F890 VanDerWaalsContact CG1-CE1 3.45Å; I883-F890 HydrophobicContact CG1-CE2 3.83Å; I883-F890 HydrophobicContact CG1-CG 4.05Å; I883-F890 HydrophobicContact CG1-CZ 3.49Å; I883-F890 VanDerWaalsContact CG1-CZ 3.49Å
884E92.2Very high92.6Very high168 Ų16847 Ų4779%0.78525%0.249SC*.Hα-helixtrans-64.3-37.7178-172.4174.3-173.900111.8A880 E881 Y882A880-E884 PolarHBondContact O-N 3.49Å; E881-E884 PolarHBondContact O-N 3.42Å; Y882-E884 VanDerWaalsContact C-N 3.32Å; Y882-E884 PolarHBondContact O-N 3.01Å
885R91.4Very high92.4Very high118 Ų11853.7 Ų53.745%0.44527%0.272SS..Hα-helixtrans-79.3-35.9-176-149.2162.7-150.8-94.7-1113.9E881 Y882 I883 E921E881-R885 WeakPolarHBondContact O-CB 3.28Å; E881-R885 PolarHBondContact O-N 2.85Å; Y882-R885 PolarHBondContact O-N 2.96Å; I883-R885 VanDerWaalsContact C-N 3.31Å; I883-R885 PolarHBondContact O-N 3.02Å; R885-E921 IonicContact NH1-OE1 3.01Å
886A92.4Very high92.2Very high8 Ų855.8 Ų55.87%0.06628%0.283CS..  trans-133.855.5-17600000113.5Y882 E888 L889 F890 I922Y882-A886 HydrophobicContact CD2-CB 4.05Å; Y882-A886 HydrophobicContact CE2-CB 3.73Å; Y882-A886 PolarHBondContact O-N 3.23Å; A886-E888 VanDerWaalsContact C-N 3.26Å; A886-E888 PolarHBondContact O-N 3.02Å; A886-L889 HydrophobicContact CB-CB 4.19Å; A886-L889 WeakPolarHBondContact O-CB 3.48Å; A886-L889 PolarHBondContact O-N 3.04Å; A886-L889 VanDerWaalsContact O-N 3.13Å; A886-F890 WeakPolarHBondContact O-CD2 3.23Å; A886-F890 PolarHBondContact O-N 3.5Å; A886-I922 HydrophobicContact CB-CD1 3.92Å; A886-I922 HydrophobicContact CB-CG1 4.42Å
887P91.8Very high91.5Very high65 Ų6556.7 Ų56.742%0.42229%0.293SS..Hα-helixtrans-63.4-30.8-173.925.3-34.7000113.4I883 L889 F890 S891I883-P887 WeakPolarHBondContact O-CA 3.43Å; I883-P887 WeakPolarHBondContact O-CB 3.41Å; I883-P887 WeakPolarHBondContact O-CD 3.46Å; P887-L889 VanDerWaalsContact C-N 3.34Å; P887-F890 PolarHBondContact O-N 3.07Å; P887-S891 WeakPolarHBondContact O-CB 3.33Å; P887-S891 PolarHBondContact O-N 3.17Å; P887-S891 PolarHBondContact O-OG 3.42Å
888E90.1Very high90.8Very high99 Ų9958.7 Ų58.746%0.46330%0.302SS..Hα-helixtrans-62.7-41.3177.4-63.9171158.800111.3A886 S891 Y892 W908 K918A886-E888 VanDerWaalsContact C-N 3.26Å; A886-E888 PolarHBondContact O-N 3.02Å; E888-S891 PolarHBondContact O-N 3.44Å; E888-Y892 WeakPolarHBondContact O-CB 3.38Å; E888-Y892 PolarHBondContact O-N 3.49Å; E888-W908 PolarHBondContact OE2-NE1 3.28Å; E888-K918 IonicContact OE1-NZ 2.82Å; E888-K918 IonicContact OE2-NZ 4Å; E888-K918 PolarHBondContact OE2-NZ 3.3Å
889L92.1Very high90.3Very high0 Ų060.1 Ų60.10%031%0.309CS..Hα-helixtrans-65.4-44.9178.1-178.861.9000111.3F823 I829 V845 Y882 A886 P887 S891 Y892 I893 I907 W908 I922F823-L889 HydrophobicContact CE1-CD2 3.96Å; F823-L889 HydrophobicContact CE1-CG 4.13Å; F823-L889 HydrophobicContact CZ-CD2 4.33Å; F823-L889 HydrophobicContact CZ-CG 3.99Å; I829-L889 HydrophobicContact CD1-CD1 3.88Å; I829-L889 HydrophobicContact CD1-CD2 4.48Å; V845-L889 HydrophobicContact CG2-CD2 4.14Å; Y882-L889 WeakPolarHBondContact OH-CD2 3.25Å; A886-L889 HydrophobicContact CB-CB 4.19Å; A886-L889 WeakPolarHBondContact O-CB 3.48Å; A886-L889 PolarHBondContact O-N 3.04Å; A886-L889 VanDerWaalsContact O-N 3.13Å; P887-L889 VanDerWaalsContact C-N 3.34Å; L889-S891 VanDerWaalsContact C-N 3.33Å; L889-S891 PolarHBondContact O-N 2.97Å; L889-Y892 PolarHBondContact O-N 2.87Å; L889-I893 HydrophobicContact CD1-CD1 3.81Å; L889-I893 HydrophobicContact CD1-CG1 4.23Å; L889-I893 HydrophobicContact CG-CD1 4.09Å; L889-I893 WeakPolarHBondContact O-CG1 3.33Å; L889-I893 PolarHBondContact O-N 2.85Å; L889-I907 HydrophobicContact CD1-CD1 3.66Å; L889-I907 HydrophobicContact CD1-CG1 4.35Å; L889-I907 HydrophobicContact CD1-CG2 4.03Å; L889-W908 HydrophobicContact CB-CZ2 4.19Å; L889-W908 HydrophobicContact CD1-CH2 4.33Å; L889-I922 HydrophobicContact CD2-CD1 4.1Å
890F93.2Very high89.5Confident9 Ų965.5 Ų65.54%0.03934%0.338CS..Hα-helixtrans-60.7-43.7175.1-82.8-97.7000111.5F823 Y882 I883 A886 P887 Y892 A894F823-F890 HydrophobicContact CB-CE1 4.07Å; F823-F890 HydrophobicContact CB-CZ 4.07Å; F823-F890 HydrophobicContact CD1-CD1 4.41Å; F823-F890 HydrophobicContact CD1-CD2 4.3Å; F823-F890 AromaticContact CD1-CE1 3.72Å; F823-F890 HydrophobicContact CD1-CE1 3.72Å; F823-F890 AromaticContact CD1-CE2 3.58Å; F823-F890 HydrophobicContact CD1-CE2 3.58Å; F823-F890 AromaticContact CD1-CZ 3.24Å; F823-F890 HydrophobicContact CD1-CZ 3.24Å; F823-F890 AromaticContact CD2-CD1 3.76Å; F823-F890 HydrophobicContact CD2-CD1 3.76Å; F823-F890 AromaticContact CD2-CE1 3.45Å; F823-F890 HydrophobicContact CD2-CE1 3.45Å; F823-F890 VanDerWaalsContact CD2-CE1 3.45Å; F823-F890 HydrophobicContact CD2-CG 4.48Å; F823-F890 AromaticContact CD2-CZ 3.92Å; F823-F890 HydrophobicContact CD2-CZ 3.92Å; F823-F890 HydrophobicContact CE1-CD1 4.2Å; F823-F890 AromaticContact CE1-CD2 3.65Å; F823-F890 HydrophobicContact CE1-CD2 3.65Å; F823-F890 AromaticContact CE1-CE1 3.93Å; F823-F890 HydrophobicContact CE1-CE1 3.93Å; F823-F890 AromaticContact CE1-CE2 3.33Å; F823-F890 HydrophobicContact CE1-CE2 3.33Å; F823-F890 HydrophobicContact CE1-CG 4.08Å; F823-F890 AromaticContact CE1-CZ 3.49Å; F823-F890 HydrophobicContact CE1-CZ 3.49Å; F823-F890 VanDerWaalsContact CE1-CZ 3.49Å; F823-F890 AromaticContact CE2-CD1 3.53Å; F823-F890 HydrophobicContact CE2-CD1 3.53Å; F823-F890 HydrophobicContact CE2-CD2 4.29Å; F823-F890 AromaticContact CE2-CE1 3.68Å; F823-F890 HydrophobicContact CE2-CE1 3.68Å; F823-F890 HydrophobicContact CE2-CE2 4.41Å; F823-F890 AromaticContact CE2-CG 3.86Å; F823-F890 HydrophobicContact CE2-CG 3.86Å; F823-F890 HydrophobicContact CE2-CZ 4.13Å; F823-F890 HydrophobicContact CG-CD1 4.19Å; F823-F890 AromaticContact CG-CE1 3.45Å; F823-F890 HydrophobicContact CG-CE1 3.45Å; F823-F890 VanDerWaalsContact CG-CE1 3.45Å; F823-F890 HydrophobicContact CG-CE2 4.21Å; F823-F890 AromaticContact CG-CZ 3.46Å; F823-F890 HydrophobicContact CG-CZ 3.46Å; F823-F890 VanDerWaalsContact CG-CZ 3.46Å; F823-F890 HydrophobicContact CZ-CB 4.3Å; F823-F890 AromaticContact CZ-CD1 3.74Å; F823-F890 HydrophobicContact CZ-CD1 3.74Å; F823-F890 AromaticContact CZ-CD2 3.62Å; F823-F890 HydrophobicContact CZ-CD2 3.62Å; F823-F890 AromaticContact CZ-CE1 3.89Å; F823-F890 HydrophobicContact CZ-CE1 3.89Å; F823-F890 AromaticContact CZ-CE2 3.77Å; F823-F890 HydrophobicContact CZ-CE2 3.77Å; F823-F890 AromaticContact CZ-CG 3.61Å; F823-F890 HydrophobicContact CZ-CG 3.61Å; F823-F890 AromaticContact CZ-CZ 3.91Å; F823-F890 HydrophobicContact CZ-CZ 3.91Å; Y882-F890 HydrophobicContact CD1-CE2 4.27Å; Y882-F890 HydrophobicContact CD1-CZ 4.28Å; Y882-F890 HydrophobicContact CD2-CE2 4.03Å; Y882-F890 HydrophobicContact CE2-CE2 4.46Å; Y882-F890 AromaticContact CG-CE2 3.88Å; Y882-F890 HydrophobicContact CG-CE2 3.88Å; Y882-F890 HydrophobicContact CG-CZ 4.18Å; I883-F890 HydrophobicContact CB-CE2 4.44Å; I883-F890 HydrophobicContact CD1-CD1 4.49Å; I883-F890 HydrophobicContact CD1-CE1 4.13Å; I883-F890 HydrophobicContact CD1-CZ 4.49Å; I883-F890 HydrophobicContact CG1-CD1 3.75Å; I883-F890 HydrophobicContact CG1-CD2 4.09Å; I883-F890 HydrophobicContact CG1-CE1 3.45Å; I883-F890 VanDerWaalsContact CG1-CE1 3.45Å; I883-F890 HydrophobicContact CG1-CE2 3.83Å; I883-F890 HydrophobicContact CG1-CG 4.05Å; I883-F890 HydrophobicContact CG1-CZ 3.49Å; I883-F890 VanDerWaalsContact CG1-CZ 3.49Å; A886-F890 WeakPolarHBondContact O-CD2 3.23Å; A886-F890 PolarHBondContact O-N 3.5Å; P887-F890 PolarHBondContact O-N 3.07Å; F890-Y892 PolarHBondContact O-N 3.28Å; F890-A894 VanDerWaalsContact O-CB 3.29Å; F890-A894 WeakPolarHBondContact O-CB 3.5Å; F890-A894 PolarHBondContact O-N 2.74Å
891S90.4Very high89.1Confident67 Ų6765.2 Ų65.247%0.46933%0.332SS..Hα-helixtrans-64.1-40.2178.9-61.30000112.4P887 E888 L889 K895P887-S891 WeakPolarHBondContact O-CB 3.33Å; P887-S891 PolarHBondContact O-N 3.17Å; P887-S891 PolarHBondContact O-OG 3.42Å; E888-S891 PolarHBondContact O-N 3.44Å; L889-S891 VanDerWaalsContact C-N 3.33Å; L889-S891 PolarHBondContact O-N 2.97Å; S891-K895 PolarHBondContact O-N 2.94Å
892Y91.1Very high88.9Confident46 Ų4661.8 Ų61.818%0.1832%0.315CS..Hα-helixtrans-68.7-48.3178.7-173.7-89.8000111.9E888 L889 F890 A894 K895 N896 F902 D906 I907E888-Y892 WeakPolarHBondContact O-CB 3.38Å; E888-Y892 PolarHBondContact O-N 3.49Å; L889-Y892 PolarHBondContact O-N 2.87Å; F890-Y892 PolarHBondContact O-N 3.28Å; Y892-A894 PolarHBondContact O-N 3Å; Y892-K895 PolarHBondContact O-N 3.5Å; Y892-K895 VanDerWaalsContact O-N 3.14Å; Y892-N896 HydrophobicContact CE1-CB 4.32Å; Y892-N896 VanDerWaalsContact CE1-ND2 3.32Å; Y892-N896 WeakPolarHBondContact CE1-ND2 3.22Å; Y892-N896 WeakPolarHBondContact CE2-ND2 3.13Å; Y892-N896 PolarHBondContact O-N 3.15Å; Y892-N896 VanDerWaalsContact O-N 3.11Å; Y892-N896 PolarHBondContact O-ND2 3.34Å; Y892-F902 HydrophobicContact CD1-CD1 4.21Å; Y892-F902 AromaticContact CE1-CD1 3.9Å; Y892-F902 HydrophobicContact CE1-CD1 3.9Å; Y892-D906 WeakPolarHBondContact CD2-O 3.26Å; Y892-D906 HydrophobicContact CE2-CB 4.32Å; Y892-D906 WeakPolarHBondContact CE2-O 3.35Å; Y892-D906 VanDerWaalsContact OH-CB 3.26Å; Y892-D906 WeakPolarHBondContact OH-CB 3.41Å; Y892-I907 HydrophobicContact CD1-CB 4.45Å; Y892-I907 HydrophobicContact CD1-CG1 3.53Å; Y892-I907 HydrophobicContact CD2-CG1 4.46Å; Y892-I907 HydrophobicContact CE1-CG1 3.82Å; Y892-I907 HydrophobicContact CG-CB 4.32Å; Y892-I907 HydrophobicContact CG-CG1 3.88Å; Y892-I907 HydrophobicContact CG-CG2 4.38Å
893I91.8Very high88.6Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-65.4-31.4179.3-66.5-179.4000111.2Y818 L819 F823 I827 L889 K895 N896 S897 F902Y818-I893 HydrophobicContact CE1-CG2 4.2Å; L819-I893 HydrophobicContact CD2-CB 4.3Å; L819-I893 HydrophobicContact CD2-CG2 3.91Å; F823-I893 HydrophobicContact CE2-CB 4.26Å; F823-I893 HydrophobicContact CE2-CD1 3.97Å; F823-I893 HydrophobicContact CE2-CG2 4.25Å; F823-I893 HydrophobicContact CZ-CD1 3.73Å; I827-I893 HydrophobicContact CD1-CD1 4.03Å; I827-I893 HydrophobicContact CG2-CD1 3.84Å; L889-I893 HydrophobicContact CD1-CD1 3.81Å; L889-I893 HydrophobicContact CD1-CG1 4.23Å; L889-I893 HydrophobicContact CG-CD1 4.09Å; L889-I893 WeakPolarHBondContact O-CG1 3.33Å; L889-I893 PolarHBondContact O-N 2.85Å; I893-K895 VanDerWaalsContact C-N 3.3Å; I893-K895 PolarHBondContact O-N 2.94Å; I893-N896 CarbonylContact O-C 3.55Å; I893-N896 PolarHBondContact O-N 3.12Å; I893-S897 PolarHBondContact O-N 3.17Å; I893-F902 HydrophobicContact CB-CZ 4.29Å; I893-F902 HydrophobicContact CD1-CD2 3.98Å; I893-F902 HydrophobicContact CD1-CE2 3.78Å; I893-F902 HydrophobicContact CD1-CZ 4.2Å; I893-F902 HydrophobicContact CG1-CD1 4.24Å; I893-F902 HydrophobicContact CG1-CD2 4.12Å; I893-F902 HydrophobicContact CG1-CE1 3.96Å; I893-F902 HydrophobicContact CG1-CE2 3.87Å; I893-F902 HydrophobicContact CG1-CG 4.3Å; I893-F902 HydrophobicContact CG1-CZ 3.79Å; I893-F902 HydrophobicContact CG2-CE2 4.36Å; I893-F902 HydrophobicContact CG2-CZ 3.9Å
894A90.4Very high88.3Confident46 Ų4662.7 Ų62.738%0.3832%0.317SS..Hα-helixtrans-60.2-40174.400000112.4L819 F890 Y892L819-A894 HydrophobicContact CD1-CB 3.84Å; L819-A894 HydrophobicContact CD2-CB 4.18Å; L819-A894 HydrophobicContact CG-CB 4.46Å; F890-A894 VanDerWaalsContact O-CB 3.29Å; F890-A894 WeakPolarHBondContact O-CB 3.5Å; F890-A894 PolarHBondContact O-N 2.74Å; Y892-A894 PolarHBondContact O-N 3Å
895K88.4Confident87.9Confident172 Ų17257.2 Ų57.275%0.74829%0.294SS*.Hα-helixtrans-76.9-29.5179.3-67.6174.7-177.1176.20112.3S891 Y892 I893S891-K895 PolarHBondContact O-N 2.94Å; Y892-K895 PolarHBondContact O-N 3.5Å; Y892-K895 VanDerWaalsContact O-N 3.14Å; I893-K895 VanDerWaalsContact C-N 3.3Å; I893-K895 PolarHBondContact O-N 2.94Å
896N87.7Confident87.6Confident44 Ų4453.9 Ų53.924%0.23529%0.285CS..  trans-111.651.2-174.1-60.3-65000112.5Y892 I893 Q898 E899 F902Y892-N896 HydrophobicContact CE1-CB 4.32Å; Y892-N896 VanDerWaalsContact CE1-ND2 3.32Å; Y892-N896 WeakPolarHBondContact CE1-ND2 3.22Å; Y892-N896 WeakPolarHBondContact CE2-ND2 3.13Å; Y892-N896 PolarHBondContact O-N 3.15Å; Y892-N896 VanDerWaalsContact O-N 3.11Å; Y892-N896 PolarHBondContact O-ND2 3.34Å; I893-N896 CarbonylContact O-C 3.55Å; I893-N896 PolarHBondContact O-N 3.12Å; N896-Q898 PolarHBondContact O-N 2.94Å; N896-Q898 VanDerWaalsContact O-N 3.16Å; N896-E899 HydrophobicContact CB-CG 4.39Å; N896-E899 PolarHBondContact O-N 3.41Å; N896-F902 HydrophobicContact CB-CE1 4.19Å
897S80Confident87.3Confident52 Ų5254 Ų5436%0.36428%0.284SS..THydrogen-bonded Turntrans-67.9-13.1-172.558.40000116Y818 I893Y818-S897 WeakPolarHBondContact OH-CA 3.39Å; Y818-S897 PolarHBondContact OH-O 3.49Å; Y818-S897 VanDerWaalsContact OH-O 3.09Å; I893-S897 PolarHBondContact O-N 3.17Å
898Q79.3Confident87.1Confident178 Ų17852.3 Ų52.383%0.83227%0.269SS*.THydrogen-bonded Turntrans-90.2-1.6-180-60.6-61.6-37.900113.2N896N896-Q898 PolarHBondContact O-N 2.94Å; N896-Q898 VanDerWaalsContact O-N 3.16Å
899E81.9Confident86.3Confident35 Ų3552.9 Ų52.916%0.16428%0.282CS..  trans-101.3141.5-175-56.5-169.6-168.100112.3R822 R834 N896 F902R822-E899 PolarHBondContact NH2-O 3.33Å; R834-E899 IonicContact CZ-OE1 2.79Å; R834-E899 IonicContact NH1-OE1 3.42Å; R834-E899 PolarHBondContact NH1-OE1 3.06Å; R834-E899 IonicContact NH1-OE2 3.92Å; R834-E899 PolarHBondContact NH1-OE2 3.31Å; N896-E899 HydrophobicContact CB-CG 4.39Å; N896-E899 PolarHBondContact O-N 3.41Å; E899-F902 HydrophobicContact CB-CD1 4.31Å; E899-F902 HydrophobicContact CB-CE1 3.79Å; E899-F902 HydrophobicContact CB-CZ 4.31Å; E899-F902 WeakPolarHBondContact O-CZ 3.49Å
900D78.4Confident84.9Confident115 Ų11555.8 Ų55.862%0.61531%0.311SS*.SBendtrans-103-15.5178.6-81.8-35.9000114.4R822R822-D900 IonicContact CZ-OD1 3.39Å; R822-D900 IonicContact NH1-OD1 2.88Å; R822-D900 PolarHBondContact NH1-OD1 3.14Å; R822-D900 IonicContact NH2-OD1 3.06Å; R822-D900 PolarHBondContact NH2-OD1 2.56Å
901V84.6Confident82.9Confident35 Ų3564.9 Ų64.921%0.21235%0.354CS..EExtended strand (participates in β ladder)trans-136.6129.4176.3-177.30000107.6K842 Y903K842-V901 HydrophobicContact CD-CG1 3.93Å; K842-V901 HydrophobicContact CD-CG2 4.26Å; K842-V901 HydrophobicContact CG-CG1 4.45Å; V901-Y903 HydrophobicContact CG1-CE2 4.36Å
902F90.6Very high81.3Confident1 Ų168 Ų680%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-107.8168.1177.8-52.7-78000109.8I827 F828 I829 G830 Y892 I893 N896 E899 I907I827-F902 HydrophobicContact CG2-CD2 3.9Å; I827-F902 HydrophobicContact CG2-CE2 4.06Å; F828-F902 PolarHBondContact O-N 2.81Å; I829-F902 CarbonylContact C-O 3.51Å; I829-F902 VanDerWaalsContact CA-O 3.25Å; I829-F902 WeakPolarHBondContact CA-O 3.36Å; I829-F902 HydrophobicContact CG1-CB 4.4Å; G830-F902 PolarHBondContact N-O 2.95Å; Y892-F902 HydrophobicContact CD1-CD1 4.21Å; Y892-F902 AromaticContact CE1-CD1 3.9Å; Y892-F902 HydrophobicContact CE1-CD1 3.9Å; I893-F902 HydrophobicContact CB-CZ 4.29Å; I893-F902 HydrophobicContact CD1-CD2 3.98Å; I893-F902 HydrophobicContact CD1-CE2 3.78Å; I893-F902 HydrophobicContact CD1-CZ 4.2Å; I893-F902 HydrophobicContact CG1-CD1 4.24Å; I893-F902 HydrophobicContact CG1-CD2 4.12Å; I893-F902 HydrophobicContact CG1-CE1 3.96Å; I893-F902 HydrophobicContact CG1-CE2 3.87Å; I893-F902 HydrophobicContact CG1-CG 4.3Å; I893-F902 HydrophobicContact CG1-CZ 3.79Å; I893-F902 HydrophobicContact CG2-CE2 4.36Å; I893-F902 HydrophobicContact CG2-CZ 3.9Å; N896-F902 HydrophobicContact CB-CE1 4.19Å; E899-F902 HydrophobicContact CB-CD1 4.31Å; E899-F902 HydrophobicContact CB-CE1 3.79Å; E899-F902 HydrophobicContact CB-CZ 4.31Å; E899-F902 WeakPolarHBondContact O-CZ 3.49Å; F902-I907 HydrophobicContact CB-CD1 3.75Å; F902-I907 HydrophobicContact CB-CG1 4.4Å
903Y88.4Confident79.8Confident42 Ų4273.9 Ų73.917%0.16539%0.394CS..EExtended strand (participates in β ladder)trans-131.6141.9-177.6-68.1-88.9000110.6G830 G832 R834 P837 V901 D905 D906 I907G830-Y903 WeakPolarHBondContact O-CA 3.38Å; G832-Y903 WeakPolarHBondContact O-CB 3.47Å; R834-Y903 HydrophobicContact CB-CD2 3.63Å; R834-Y903 HydrophobicContact CB-CE2 3.87Å; R834-Y903 HydrophobicContact CB-CG 4.38Å; R834-Y903 HydrophobicContact CG-CD2 4.27Å; R834-Y903 HydrophobicContact CG-CE2 4.05Å; P837-Y903 HydrophobicContact CB-CE1 3.8Å; V901-Y903 HydrophobicContact CG1-CE2 4.36Å; Y903-D905 VanDerWaalsContact C-N 3.34Å; Y903-D905 PolarHBondContact O-N 3.16Å; Y903-D906 WeakPolarHBondContact CB-OD2 3.26Å; Y903-D906 PolarHBondContact O-N 3Å; Y903-I907 WeakPolarHBondContact O-CG1 3.38Å; Y903-I907 PolarHBondContact O-N 3.07Å; Y903-I907 VanDerWaalsContact O-N 3.15Å
904E88.5Confident78.6Confident16 Ų1677.2 Ų77.28%0.07541%0.412CS..Hα-helixtrans-59.5-41.8-17170.5-162.816400112.8I829 G830 R831 G832 D906 I907 W908 A916 V919I829-E904 HydrophobicContact CG2-CB 4.22Å; G830-E904 PolarHBondContact O-N 3.23Å; G830-E904 VanDerWaalsContact O-N 3.14Å; R831-E904 WeakPolarHBondContact CA-OE1 3.34Å; R831-E904 WeakPolarHBondContact CB-OE1 3.48Å; R831-E904 WeakPolarHBondContact CG-OE1 3.47Å; G832-E904 PolarHBondContact N-OE1 3.39Å; G832-E904 PolarHBondContact O-N 2.82Å; E904-D906 VanDerWaalsContact C-N 3.31Å; E904-D906 PolarHBondContact O-N 3.05Å; E904-I907 PolarHBondContact O-N 3.21Å; E904-W908 PolarHBondContact O-N 3.43Å; E904-A916 WeakPolarHBondContact OE2-CA 3.27Å; E904-A916 WeakPolarHBondContact OE2-CB 3.38Å; E904-A916 PolarHBondContact OE2-N 3.04Å; E904-V919 HydrophobicContact CB-CG2 4.23Å
905D83.4Confident78Confident54 Ų5475 Ų7529%0.28940%0.395SS..Hα-helixtrans-72.2-27.1-178.6-61.8-15.5000112.4G832 S833 Y903G832-D905 WeakPolarHBondContact CA-OD2 3.43Å; G832-D905 WeakPolarHBondContact O-CB 3.49Å; G832-D905 VanDerWaalsContact O-CG 3.28Å; G832-D905 PolarHBondContact O-N 3.4Å; S833-D905 PolarHBondContact N-OD2 3.04Å; Y903-D905 VanDerWaalsContact C-N 3.34Å; Y903-D905 PolarHBondContact O-N 3.16Å
906D85.1Confident77.6Confident48 Ų4868.4 Ų68.426%0.25737%0.372SS..Hα-helixtrans-78.9-31.5178.5-62-38.6000111.2R834 Y892 Y903 E904R834-D906 WeakPolarHBondContact CB-OD2 3.35Å; R834-D906 PolarHBondContact N-OD2 3.12Å; Y892-D906 WeakPolarHBondContact CD2-O 3.26Å; Y892-D906 HydrophobicContact CE2-CB 4.32Å; Y892-D906 WeakPolarHBondContact CE2-O 3.35Å; Y892-D906 VanDerWaalsContact OH-CB 3.26Å; Y892-D906 WeakPolarHBondContact OH-CB 3.41Å; Y903-D906 WeakPolarHBondContact CB-OD2 3.26Å; Y903-D906 PolarHBondContact O-N 3Å; E904-D906 VanDerWaalsContact C-N 3.31Å; E904-D906 PolarHBondContact O-N 3.05Å
907I86.3Confident77.4Confident10 Ų1072.3 Ų72.35%0.05139%0.389CS..Hα-helixtrans-78.6-40.3178-62159.8000111I829 L889 Y892 F902 Y903 E904 P909I829-I907 HydrophobicContact CD1-CD1 3.76Å; I829-I907 HydrophobicContact CG1-CD1 4.11Å; I829-I907 HydrophobicContact CG2-CD1 4.26Å; L889-I907 HydrophobicContact CD1-CD1 3.66Å; L889-I907 HydrophobicContact CD1-CG1 4.35Å; L889-I907 HydrophobicContact CD1-CG2 4.03Å; Y892-I907 HydrophobicContact CD1-CB 4.45Å; Y892-I907 HydrophobicContact CD1-CG1 3.53Å; Y892-I907 HydrophobicContact CD2-CG1 4.46Å; Y892-I907 HydrophobicContact CE1-CG1 3.82Å; Y892-I907 HydrophobicContact CG-CB 4.32Å; Y892-I907 HydrophobicContact CG-CG1 3.88Å; Y892-I907 HydrophobicContact CG-CG2 4.38Å; F902-I907 HydrophobicContact CB-CD1 3.75Å; F902-I907 HydrophobicContact CB-CG1 4.4Å; Y903-I907 WeakPolarHBondContact O-CG1 3.38Å; Y903-I907 PolarHBondContact O-N 3.07Å; Y903-I907 VanDerWaalsContact O-N 3.15Å; E904-I907 PolarHBondContact O-N 3.21Å; I907-P909 VanDerWaalsContact C-CD 3.48Å; I907-P909 WeakPolarHBondContact O-CD 3.41Å
908W87.6Confident77.6Confident29 Ų2973.1 Ų73.111%0.1139%0.386CS..SBendtrans-123.373.9-176.8-64.6-68.6000112.2I829 E888 L889 E904 G910 K918 V919 I922I829-W908 HydrophobicContact CD1-CH2 4.4Å; I829-W908 HydrophobicContact CD1-CZ3 4.39Å; E888-W908 PolarHBondContact OE2-NE1 3.28Å; L889-W908 HydrophobicContact CB-CZ2 4.19Å; L889-W908 HydrophobicContact CD1-CH2 4.33Å; E904-W908 PolarHBondContact O-N 3.43Å; W908-G910 PolarHBondContact O-N 3.17Å; W908-K918 HydrophobicContact CD2-CB 4.28Å; W908-K918 HydrophobicContact CD2-CD 3.77Å; W908-K918 HydrophobicContact CE3-CB 4.39Å; W908-K918 HydrophobicContact CG-CD 3.71Å; W908-K918 HydrophobicContact CH2-CB 4.34Å; W908-K918 HydrophobicContact CZ2-CB 4.22Å; W908-K918 HydrophobicContact CZ2-CD 4.29Å; W908-K918 HydrophobicContact CZ3-CB 4.43Å; W908-V919 HydrophobicContact CH2-CG2 4.32Å; W908-V919 HydrophobicContact CZ3-CG2 3.71Å; W908-I922 HydrophobicContact CH2-CD1 4.04Å; W908-I922 HydrophobicContact CZ2-CD1 4.22Å
909P72.8Confident78Confident112 Ų11265.1 Ų65.173%0.72735%0.349SS*.  trans-72.3119.2178.828.6-33.5000110.9I907I907-P909 VanDerWaalsContact C-CD 3.48Å; I907-P909 WeakPolarHBondContact O-CD 3.41Å
910G63.4Low78.1Confident60 Ų6068.7 Ų68.762%0.61937%0.365SS*.  trans-168.8160.1176.300000114.2W908 N912W908-G910 PolarHBondContact O-N 3.17Å; G910-N912 PolarHBondContact O-N 3.39Å
911E51.7Low78.6Confident200 Ų20068.2 Ų68.294%0.93536%0.359SS*.THydrogen-bonded Turntrans-66.2-11-177-71.2-176.416000114.9
912N55.7Low78.9Confident133 Ų13367.1 Ų67.171%0.71135%0.352SS*.THydrogen-bonded Turntrans-103.50.1-174.3-65-11.9000115.3G910 N914G910-N912 PolarHBondContact O-N 3.39Å; N912-N914 WeakPolarHBondContact CB-OD1 3.29Å; N912-N914 PolarHBondContact O-N 3.04Å; N912-N914 VanDerWaalsContact O-N 3.12Å; N912-N914 PolarHBondContact O-OD1 3.02Å
913E60.2Low78.7Confident169 Ų16968.1 Ų68.179%0.7936%0.358SS*.  trans54.427.9179.2-60.2-174.9169.700115.6G915E913-G915 PolarHBondContact O-N 3.06Å
914N67.1Low78.6Confident70 Ų7070.1 Ų70.137%0.37437%0.374SS..THydrogen-bonded Turntrans-73.19.2-177.5-72.954.9000115.6N912 A916 E917 K918N912-N914 WeakPolarHBondContact CB-OD1 3.29Å; N912-N914 PolarHBondContact O-N 3.04Å; N912-N914 VanDerWaalsContact O-N 3.12Å; N912-N914 PolarHBondContact O-OD1 3.02Å; N914-A916 VanDerWaalsContact C-N 3.34Å; N914-A916 PolarHBondContact O-N 2.7Å; N914-E917 PolarHBondContact ND2-OE2 3.34Å; N914-E917 PolarHBondContact O-N 3.18Å; N914-K918 PolarHBondContact O-N 3.3Å; N914-K918 VanDerWaalsContact O-N 3.12Å
915G77.3Confident78.7Confident1 Ų170.7 Ų70.71%0.0138%0.376CS..Hα-helixtrans-58.6-44.1-177.600000112.7E913 E917 K918 V919E913-G915 PolarHBondContact O-N 3.06Å; G915-E917 VanDerWaalsContact C-N 3.34Å; G915-E917 PolarHBondContact O-N 2.97Å; G915-K918 PolarHBondContact O-N 2.94Å; G915-V919 WeakPolarHBondContact O-CG2 3.36Å; G915-V919 PolarHBondContact O-N 3.09Å
916A79.5Confident78.9Confident32 Ų3269 Ų6926%0.26437%0.367SS..Hα-helixtrans-64.7-36.8179.100000112.9E904 N914 Q920E904-A916 WeakPolarHBondContact OE2-CA 3.27Å; E904-A916 WeakPolarHBondContact OE2-CB 3.38Å; E904-A916 PolarHBondContact OE2-N 3.04Å; N914-A916 VanDerWaalsContact C-N 3.34Å; N914-A916 PolarHBondContact O-N 2.7Å; A916-Q920 WeakPolarHBondContact O-CB 3.46Å; A916-Q920 PolarHBondContact O-N 3.21Å
917E82.9Confident78.7Confident127 Ų12773.8 Ų73.859%0.59339%0.385SS*.Hα-helixtrans-67.2-45.3177.5-64.6-176.3161.300111.3N914 G915 V919 Q920 E921N914-E917 PolarHBondContact ND2-OE2 3.34Å; N914-E917 PolarHBondContact O-N 3.18Å; G915-E917 VanDerWaalsContact C-N 3.34Å; G915-E917 PolarHBondContact O-N 2.97Å; E917-V919 PolarHBondContact O-N 3.02Å; E917-Q920 PolarHBondContact O-N 3.35Å; E917-Q920 VanDerWaalsContact O-N 3.15Å; E917-E921 PolarHBondContact O-N 3.22Å
918K85.1Confident78.5Confident69 Ų6976.5 Ų76.530%0.342%0.415SS..Hα-helixtrans-62.5-41.8177.1-74.9-170.4171.1-178.30112.2E888 W908 N914 G915 Q920 E921 I922E888-K918 IonicContact OE1-NZ 2.82Å; E888-K918 IonicContact OE2-NZ 4Å; E888-K918 PolarHBondContact OE2-NZ 3.3Å; W908-K918 HydrophobicContact CD2-CB 4.28Å; W908-K918 HydrophobicContact CD2-CD 3.77Å; W908-K918 HydrophobicContact CE3-CB 4.39Å; W908-K918 HydrophobicContact CG-CD 3.71Å; W908-K918 HydrophobicContact CH2-CB 4.34Å; W908-K918 HydrophobicContact CZ2-CB 4.22Å; W908-K918 HydrophobicContact CZ2-CD 4.29Å; W908-K918 HydrophobicContact CZ3-CB 4.43Å; N914-K918 PolarHBondContact O-N 3.3Å; N914-K918 VanDerWaalsContact O-N 3.12Å; G915-K918 PolarHBondContact O-N 2.94Å; K918-Q920 VanDerWaalsContact C-N 3.31Å; K918-Q920 PolarHBondContact O-N 3.21Å; K918-E921 PolarHBondContact O-N 3.12Å; K918-I922 WeakPolarHBondContact O-CG1 3.32Å; K918-I922 PolarHBondContact O-N 3.47Å; K918-I922 VanDerWaalsContact O-N 3.08Å
919V87.6Confident78.4Confident10 Ų1076.6 Ų76.66%0.06142%0.417CS..Hα-helixtrans-60.2-44.3173.8171.20000110.4I829 A843 V845 E904 W908 G915 E917 I922 I923I829-V919 HydrophobicContact CB-CG2 4.47Å; I829-V919 HydrophobicContact CD1-CG2 4.18Å; I829-V919 HydrophobicContact CG2-CG2 3.9Å; A843-V919 HydrophobicContact CB-CG1 3.66Å; V845-V919 HydrophobicContact CG1-CG1 4.34Å; E904-V919 HydrophobicContact CB-CG2 4.23Å; W908-V919 HydrophobicContact CH2-CG2 4.32Å; W908-V919 HydrophobicContact CZ3-CG2 3.71Å; G915-V919 WeakPolarHBondContact O-CG2 3.36Å; G915-V919 PolarHBondContact O-N 3.09Å; E917-V919 PolarHBondContact O-N 3.02Å; V919-I922 PolarHBondContact O-N 3.45Å; V919-I923 HydrophobicContact CG1-CD1 3.83Å; V919-I923 HydrophobicContact CG1-CG1 4.48Å; V919-I923 VanDerWaalsContact O-CG1 3.24Å; V919-I923 WeakPolarHBondContact O-CG1 3.46Å; V919-I923 PolarHBondContact O-N 3.41Å
920Q84.6Confident78.8Confident109 Ų10975.4 Ų75.451%0.50941%0.409SS..Hα-helixtrans-66.3-37.5179.5-170.66219.500112.6A916 E917 K918 I923 T924A916-Q920 WeakPolarHBondContact O-CB 3.46Å; A916-Q920 PolarHBondContact O-N 3.21Å; E917-Q920 PolarHBondContact O-N 3.35Å; E917-Q920 VanDerWaalsContact O-N 3.15Å; K918-Q920 VanDerWaalsContact C-N 3.31Å; K918-Q920 PolarHBondContact O-N 3.21Å; Q920-I923 PolarHBondContact O-N 3.47Å; Q920-T924 WeakPolarHBondContact O-CB 3.46Å; Q920-T924 PolarHBondContact O-N 3.26Å; Q920-T924 PolarHBondContact O-OG1 2.67Å
921E88.3Confident79.6Confident105 Ų10573.2 Ų73.249%0.49138%0.384SS..Hα-helixtrans-61.6-46.9175-171.3-169.7163.200111.4R885 E917 K918 I923 T924 W925R885-E921 IonicContact NH1-OE1 3.01Å; E917-E921 PolarHBondContact O-N 3.22Å; K918-E921 PolarHBondContact O-N 3.12Å; E921-I923 PolarHBondContact O-N 3.17Å; E921-T924 PolarHBondContact O-N 3.37Å; E921-W925 PolarHBondContact O-N 3.43Å
922I90.3Very high80.7Confident12 Ų1266.1 Ų66.16%0.06236%0.356CS..Hα-helixtrans-60.8-46.4177-68.5169.6000110.4V845 Y882 A886 L889 W908 K918 V919 T924 W925 L926V845-I922 HydrophobicContact CB-CG2 3.97Å; V845-I922 HydrophobicContact CG1-CG2 4.06Å; Y882-I922 HydrophobicContact CE2-CG2 3.94Å; Y882-I922 VanDerWaalsContact OH-CG2 3.27Å; Y882-I922 WeakPolarHBondContact OH-CG2 3.31Å; A886-I922 HydrophobicContact CB-CD1 3.92Å; A886-I922 HydrophobicContact CB-CG1 4.42Å; L889-I922 HydrophobicContact CD2-CD1 4.1Å; W908-I922 HydrophobicContact CH2-CD1 4.04Å; W908-I922 HydrophobicContact CZ2-CD1 4.22Å; K918-I922 WeakPolarHBondContact O-CG1 3.32Å; K918-I922 PolarHBondContact O-N 3.47Å; K918-I922 VanDerWaalsContact O-N 3.08Å; V919-I922 PolarHBondContact O-N 3.45Å; I922-T924 VanDerWaalsContact C-N 3.3Å; I922-T924 PolarHBondContact O-N 3.26Å; I922-W925 PolarHBondContact O-N 3.43Å; I922-L926 HydrophobicContact CG2-CD1 3.85Å; I922-L926 HydrophobicContact CG2-CG 4.28Å; I922-L926 WeakPolarHBondContact O-CB 3.44Å; I922-L926 VanDerWaalsContact O-CG 3.31Å; I922-L926 WeakPolarHBondContact O-CG 3.3Å; I922-L926 PolarHBondContact O-N 3.05Å
923I86.4Confident81.5Confident23 Ų2365 Ų6512%0.11836%0.355CS..Hα-helixtrans-60.4-42.7177.5-68.1166.1000111A843 V845 V919 Q920 E921 W925 L926 K927A843-I923 HydrophobicContact CB-CD1 3.69Å; V845-I923 HydrophobicContact CG1-CG1 4.31Å; V919-I923 HydrophobicContact CG1-CD1 3.83Å; V919-I923 HydrophobicContact CG1-CG1 4.48Å; V919-I923 VanDerWaalsContact O-CG1 3.24Å; V919-I923 WeakPolarHBondContact O-CG1 3.46Å; V919-I923 PolarHBondContact O-N 3.41Å; Q920-I923 PolarHBondContact O-N 3.47Å; E921-I923 PolarHBondContact O-N 3.17Å; I923-W925 VanDerWaalsContact C-N 3.34Å; I923-L926 PolarHBondContact O-N 3.42Å; I923-K927 HydrophobicContact CG2-CD 3.93Å; I923-K927 HydrophobicContact CG2-CG 4.34Å; I923-K927 WeakPolarHBondContact O-CB 3.13Å; I923-K927 VanDerWaalsContact O-CG 3.31Å; I923-K927 WeakPolarHBondContact O-CG 3.3Å; I923-K927 PolarHBondContact O-N 3.35Å
924T86.7Confident82.3Confident83 Ų8359.8 Ų59.851%0.50933%0.332SS..Hα-helixtrans-63.1-43.5-179-570000110.5Q920 E921 I922 K927 G928Q920-T924 WeakPolarHBondContact O-CB 3.46Å; Q920-T924 PolarHBondContact O-N 3.26Å; Q920-T924 PolarHBondContact O-OG1 2.67Å; E921-T924 PolarHBondContact O-N 3.37Å; I922-T924 VanDerWaalsContact C-N 3.3Å; I922-T924 PolarHBondContact O-N 3.26Å; T924-K927 PolarHBondContact O-N 2.84Å; T924-G928 PolarHBondContact O-N 3Å
925W91.2Very high82.6Confident28 Ų2860.3 Ų60.311%0.10634%0.341CS..Hα-helixtrans-65.6-46.8174.4170.179000113L847 L878 E881 Y882 E921 I922 I923 K927 G928 H929L847-W925 HydrophobicContact CD2-CH2 4.34Å; L847-W925 HydrophobicContact CD2-CZ3 4.46Å; L878-W925 HydrophobicContact CD1-CH2 3.97Å; L878-W925 HydrophobicContact CD1-CZ2 4.05Å; E881-W925 HydrophobicContact CB-CZ2 4.41Å; E881-W925 HydrophobicContact CG-CZ2 3.87Å; E881-W925 WeakPolarHBondContact OE1-CZ2 3.37Å; E881-W925 PolarHBondContact OE1-NE1 3.23Å; Y882-W925 HydrophobicContact CD1-CH2 4.37Å; Y882-W925 HydrophobicContact CD1-CZ3 4.04Å; Y882-W925 HydrophobicContact CD2-CH2 4.24Å; Y882-W925 AromaticContact CD2-CZ3 3.73Å; Y882-W925 HydrophobicContact CD2-CZ3 3.73Å; Y882-W925 HydrophobicContact CE1-CZ3 4.42Å; Y882-W925 HydrophobicContact CE2-CZ3 4.19Å; Y882-W925 AromaticContact CG-CH2 3.89Å; Y882-W925 HydrophobicContact CG-CH2 3.89Å; Y882-W925 AromaticContact CG-CZ3 3.69Å; Y882-W925 HydrophobicContact CG-CZ3 3.69Å; E921-W925 PolarHBondContact O-N 3.43Å; I922-W925 PolarHBondContact O-N 3.43Å; I923-W925 VanDerWaalsContact C-N 3.34Å; W925-K927 PolarHBondContact O-N 3.48Å; W925-G928 CarbonylContact O-C 3.55Å; W925-G928 PolarHBondContact O-N 2.9Å; W925-G928 VanDerWaalsContact O-N 3.12Å; W925-H929 WeakPolarHBondContact O-CB 3.37Å; W925-H929 PolarHBondContact O-N 3.44Å
926L87.1Confident82.9Confident19 Ų1965 Ų6510%0.09936%0.358CS..Hα-helixtrans-57.8-39.1176.9-75173.3000111.9V845 L847 Y882 I922 I923 S932V845-L926 HydrophobicContact CB-CD1 4.42Å; V845-L926 WeakPolarHBondContact O-CD1 3.27Å; L847-L926 HydrophobicContact CD2-CD2 3.63Å; Y882-L926 HydrophobicContact CE1-CD2 4.47Å; I922-L926 HydrophobicContact CG2-CD1 3.85Å; I922-L926 HydrophobicContact CG2-CG 4.28Å; I922-L926 WeakPolarHBondContact O-CB 3.44Å; I922-L926 VanDerWaalsContact O-CG 3.31Å; I922-L926 WeakPolarHBondContact O-CG 3.3Å; I922-L926 PolarHBondContact O-N 3.05Å; I923-L926 PolarHBondContact O-N 3.42Å; L926-S932 WeakPolarHBondContact O-CB 3.3Å
927K81.7Confident82.9Confident149 Ų14964.4 Ų64.465%0.64835%0.352SS*.Hα-helixtrans-70.6-40176.6-75.3179.6177.1-176.90112.3I923 T924 W925 S932I923-K927 HydrophobicContact CG2-CD 3.93Å; I923-K927 HydrophobicContact CG2-CG 4.34Å; I923-K927 WeakPolarHBondContact O-CB 3.13Å; I923-K927 VanDerWaalsContact O-CG 3.31Å; I923-K927 WeakPolarHBondContact O-CG 3.3Å; I923-K927 PolarHBondContact O-N 3.35Å; T924-K927 PolarHBondContact O-N 2.84Å; W925-K927 PolarHBondContact O-N 3.48Å; K927-S932 PolarHBondContact O-OG 3.29Å
928G81.1Confident82.9Confident66 Ų6660.3 Ų60.368%0.6834%0.338SS*.Hα-helixtrans-75.4-19.7178.800000114.6T924 W925T924-G928 PolarHBondContact O-N 3Å; W925-G928 CarbonylContact O-C 3.55Å; W925-G928 PolarHBondContact O-N 2.9Å; W925-G928 VanDerWaalsContact O-N 3.12Å
929H86Confident82.7Confident31 Ų3158 Ų5814%0.14433%0.33CS..SBendtrans-72.9138.6-180-168.8-84000111.3E881 W925 V931 S932E881-H929 IonicContact OE2-CD2 3.87Å; E881-H929 IonicContact OE2-NE2 3.45Å; W925-H929 WeakPolarHBondContact O-CB 3.37Å; W925-H929 PolarHBondContact O-N 3.44Å; H929-V931 HydrophobicContact CB-CG1 4.23Å; H929-V931 WeakPolarHBondContact ND1-CB 3.48Å; H929-V931 VanDerWaalsContact ND1-CG1 3.3Å; H929-V931 WeakPolarHBondContact ND1-CG1 3.31Å; H929-V931 PolarHBondContact ND1-N 3.28Å; H929-V931 PolarHBondContact O-N 2.89Å; H929-S932 WeakPolarHBondContact O-CB 3.4Å; H929-S932 PolarHBondContact O-N 3.36Å; H929-S932 PolarHBondContact O-OG 2.98Å; H929-S932 VanDerWaalsContact O-OG 3.08Å
930P80.8Confident82.2Confident88 Ų8863.4 Ų63.457%0.57136%0.359SS*.G310 helixtrans-54.2-20.3-177.4-2934.7000115.9S932 T933P930-S932 PolarHBondContact O-N 2.9Å; P930-T933 PolarHBondContact O-N 3.4Å; P930-T933 PolarHBondContact O-OG1 3.04Å
931V80.3Confident81.9Confident14 Ų1463 Ų639%0.08536%0.36CS..G310 helixtrans-65.7-25.9177.877.10000113.2L849 Y861 L878 H929 T933 L934L849-V931 HydrophobicContact CD2-CG2 3.39Å; Y861-V931 HydrophobicContact CD1-CG2 4.39Å; Y861-V931 HydrophobicContact CE1-CG2 4.14Å; Y861-V931 HydrophobicContact CE2-CG2 4.44Å; L878-V931 HydrophobicContact CD2-CB 3.97Å; L878-V931 HydrophobicContact CD2-CG1 3.99Å; L878-V931 HydrophobicContact CD2-CG2 3.79Å; H929-V931 HydrophobicContact CB-CG1 4.23Å; H929-V931 WeakPolarHBondContact ND1-CB 3.48Å; H929-V931 VanDerWaalsContact ND1-CG1 3.3Å; H929-V931 WeakPolarHBondContact ND1-CG1 3.31Å; H929-V931 PolarHBondContact ND1-N 3.28Å; H929-V931 PolarHBondContact O-N 2.89Å; V931-T933 VanDerWaalsContact C-N 3.25Å; V931-T933 PolarHBondContact O-N 3.21Å; V931-L934 HydrophobicContact CG2-CD1 4.13Å; V931-L934 PolarHBondContact O-N 3.13Å
932S75.9Confident81.3Confident50 Ų5067 Ų6735%0.3538%0.378SS..G310 helixtrans-68.2-26.6-176.9720000112.7R237 L926 K927 H929 P930R237-S932 PolarHBondContact NH2-O 2.86Å; R237-S932 VanDerWaalsContact NH2-O 3.12Å; L926-S932 WeakPolarHBondContact O-CB 3.3Å; K927-S932 PolarHBondContact O-OG 3.29Å; H929-S932 WeakPolarHBondContact O-CB 3.4Å; H929-S932 PolarHBondContact O-N 3.36Å; H929-S932 PolarHBondContact O-OG 2.98Å; H929-S932 VanDerWaalsContact O-OG 3.08Å; P930-S932 PolarHBondContact O-N 2.9Å
933T71.9Confident80.7Confident111 Ų11170 Ų7068%0.68139%0.393SS*.G310 helixtrans-89.2-13.2-17860.50000113.2P930 V931P930-T933 PolarHBondContact O-N 3.4Å; P930-T933 PolarHBondContact O-OG1 3.04Å; V931-T933 VanDerWaalsContact C-N 3.25Å; V931-T933 PolarHBondContact O-N 3.21Å
934L76.9Confident80.6Confident59 Ų5972.9 Ų72.931%0.30941%0.408SS..  trans-67.9137.4-175.6-66.3174.9000113.7R237 V858 Y861 V931R237-L934 PolarHBondContact NH1-O 3.43Å; R237-L934 PolarHBondContact NH2-O 3.25Å; V858-L934 HydrophobicContact CG1-CB 4.05Å; V858-L934 HydrophobicContact CG1-CD1 4.15Å; Y861-L934 HydrophobicContact CD2-CD1 3.7Å; Y861-L934 HydrophobicContact CE2-CD1 3.22Å; V931-L934 HydrophobicContact CG2-CD1 4.13Å; V931-L934 PolarHBondContact O-N 3.13Å
935S72.6Confident80.5Confident81 Ų8170.3 Ų70.357%0.56639%0.391SS*.  trans-65.6152175.953.50000111.8P859P859-S935 WeakPolarHBondContact CD-O 3.38Å
936R83.9Confident80Confident98 Ų9873 Ų7337%0.3742%0.419SS..  trans-104.2152.7174.1-61.5169.7-168.8167.83.5107.7F851 E857 V858F851-R936 HydrophobicContact CE2-CG 3.89Å; E857-R936 CarbonylContact O-C 3.46Å; E857-R936 WeakPolarHBondContact O-CA 3.31Å; V858-R936 HydrophobicContact CG2-CG 4.19Å
937S79.8Confident79.9Confident21 Ų2174 Ų7415%0.14743%0.43CS..EExtended strand (participates in β ladder)trans-137.4151179.2-56.60000110.8E856 E857 P859 C939 I943E856-S937 CarbonylContact C-O 3.47Å; E856-S937 VanDerWaalsContact CA-O 3.22Å; E856-S937 WeakPolarHBondContact CA-O 3.33Å; E857-S937 PolarHBondContact N-O 3.34Å; E857-S937 PolarHBondContact O-N 3.44Å; P859-S937 WeakPolarHBondContact CG-OG 3.43Å; S937-C939 PolarHBondContact O-N 2.95Å; S937-I943 VanDerWaalsContact OG-CD1 3.22Å; S937-I943 WeakPolarHBondContact OG-CD1 3.38Å
938S82.4Confident80.1Confident41 Ų4167.1 Ų67.129%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-60.6138.2170.9176.10000109.7D940 L941S938-D940 PolarHBondContact O-N 3.12Å; S938-D940 VanDerWaalsContact O-N 3.08Å; S938-D940 PolarHBondContact OG-N 3.29Å; S938-D940 PolarHBondContact OG-OD2 3.49Å; S938-L941 PolarHBondContact O-N 3.41Å
939C81.9Confident80.4Confident21 Ų2166.7 Ų66.714%0.14239%0.385CS..THydrogen-bonded Turntrans-61.6-13.5173.8-66.50000113.2N855 E857 K864 S937 L941N855-C939 PolarHBondContact O-N 2.91Å; N855-C939 PolarHBondContact O-SG 3.46Å; E857-C939 PolarHBondContact OE2-SG 2.97Å; K864-C939 HydrophobicContact CB-CB 4.05Å; K864-C939 HydrophobicContact CD-CB 4.17Å; S937-C939 PolarHBondContact O-N 2.95Å; C939-L941 VanDerWaalsContact C-N 3.33Å
940D77Confident80.5Confident123 Ų12370.5 Ų70.566%0.65840%0.403SS*.THydrogen-bonded Turntrans-86.7-3.5-179.5-53-43.3000112.9N855 S938N855-D940 PolarHBondContact ND2-OD1 3.08Å; N855-D940 PolarHBondContact ND2-OD2 3.33Å; S938-D940 PolarHBondContact O-N 3.12Å; S938-D940 VanDerWaalsContact O-N 3.08Å; S938-D940 PolarHBondContact OG-N 3.29Å; S938-D940 PolarHBondContact OG-OD2 3.49Å
941L76.9Confident80.8Confident101 Ų10169 Ų6953%0.52939%0.387SS..  trans-94.9138.4-179.9-65.5172.7000111.8S938 C939 I943S938-L941 PolarHBondContact O-N 3.41Å; C939-L941 VanDerWaalsContact C-N 3.33Å; L941-I943 HydrophobicContact CB-CG1 4.24Å
942H76.1Confident81.2Confident188 Ų18870.5 Ų70.587%0.8739%0.394SS*.  trans-94.1103.3169.8-68.7-62000110
943I78.3Confident81.8Confident74 Ų7474.1 Ų74.138%0.37941%0.405SS..PPolyproline II helixtrans-101.1138.4-178.4-57.5171000109.5P859 S937 L941P859-I943 HydrophobicContact CG-CD1 3.78Å; S937-I943 VanDerWaalsContact OG-CD1 3.22Å; S937-I943 WeakPolarHBondContact OG-CD1 3.38Å; L941-I943 HydrophobicContact CB-CG1 4.24Å
944L83.5Confident82.5Confident85 Ų8572 Ų7245%0.44539%0.388SS..PPolyproline II helixtrans-80.6139.6172.4-66.9176.5000110.4I948 V949 I952L944-I948 HydrophobicContact CD2-CG2 4.45Å; L944-V949 HydrophobicContact CB-CG2 4.09Å; L944-I952 HydrophobicContact CD1-CD1 4Å
945D84.5Confident83Confident29 Ų2972.1 Ų72.116%0.15539%0.387CS..PPolyproline II helixtrans-67144.1174.9-64.1-45.6000110.4S800 I801 A947 I948 V949S800-D945 VanDerWaalsContact CA-OD2 3.23Å; S800-D945 WeakPolarHBondContact CA-OD2 3.47Å; I801-D945 HydrophobicContact CD1-CB 4.37Å; I801-D945 WeakPolarHBondContact CD1-OD1 3.47Å; I801-D945 HydrophobicContact CG1-CB 4.27Å; I801-D945 PolarHBondContact N-OD2 2.98Å; D945-A947 PolarHBondContact O-N 2.94Å; D945-A947 VanDerWaalsContact O-N 3.13Å; D945-I948 HydrophobicContact CB-CD1 4.12Å; D945-I948 HydrophobicContact CB-CG1 4.47Å; D945-I948 WeakPolarHBondContact O-CA 3.41Å; D945-I948 WeakPolarHBondContact O-CB 3.2Å; D945-I948 PolarHBondContact O-N 3.49Å; D945-V949 PolarHBondContact O-N 3.05Å
946A82.3Confident83.7Confident83 Ų8370.7 Ų70.769%0.68638%0.375SS*.Hα-helixtrans-54-37.8-174.300000113.7I948 V949 E950A946-I948 VanDerWaalsContact C-N 3.26Å; A946-I948 PolarHBondContact O-N 3.43Å; A946-V949 WeakPolarHBondContact O-CB 3.34Å; A946-V949 PolarHBondContact O-N 2.71Å; A946-V949 VanDerWaalsContact O-N 3.12Å; A946-E950 PolarHBondContact O-N 3.35Å
947A84.3Confident83.7Confident40 Ų4070.7 Ų70.733%0.33138%0.379SS..Hα-helixtrans-63.9-29.7176.800000113.1D945 K951D945-A947 PolarHBondContact O-N 2.94Å; D945-A947 VanDerWaalsContact O-N 3.13Å; A947-K951 WeakPolarHBondContact O-CG 3.42Å; A947-K951 PolarHBondContact O-N 3.11Å
948I86.5Confident83.9Confident6 Ų674.7 Ų74.73%0.03139%0.394CS..Hα-helixtrans-72.7-41.7174.2-60.9165.2000109.4L792 Q796 L944 D945 A946 K951 I952L792-I948 HydrophobicContact CD2-CG2 4.33Å; Q796-I948 HydrophobicContact CG-CD1 3.56Å; Q796-I948 HydrophobicContact CG-CG1 4.25Å; L944-I948 HydrophobicContact CD2-CG2 4.45Å; D945-I948 HydrophobicContact CB-CD1 4.12Å; D945-I948 HydrophobicContact CB-CG1 4.47Å; D945-I948 WeakPolarHBondContact O-CA 3.41Å; D945-I948 WeakPolarHBondContact O-CB 3.2Å; D945-I948 PolarHBondContact O-N 3.49Å; A946-I948 VanDerWaalsContact C-N 3.26Å; A946-I948 PolarHBondContact O-N 3.43Å; I948-K951 PolarHBondContact O-N 3.27Å; I948-I952 HydrophobicContact CG2-CD1 4.16Å; I948-I952 WeakPolarHBondContact O-CG1 3.38Å; I948-I952 PolarHBondContact O-N 3.22Å
949V87.3Confident83.9Confident57 Ų5773.3 Ų73.335%0.34538%0.384SS..Hα-helixtrans-60.6-46.3177.7-178.70000111L944 D945 A946 K951 I952 E953L944-V949 HydrophobicContact CB-CG2 4.09Å; D945-V949 PolarHBondContact O-N 3.05Å; A946-V949 WeakPolarHBondContact O-CB 3.34Å; A946-V949 PolarHBondContact O-N 2.71Å; A946-V949 VanDerWaalsContact O-N 3.12Å; V949-K951 VanDerWaalsContact C-N 3.28Å; V949-K951 PolarHBondContact O-N 3.49Å; V949-I952 WeakPolarHBondContact O-CA 3.37Å; V949-I952 WeakPolarHBondContact O-CB 3.46Å; V949-I952 PolarHBondContact O-N 3.29Å; V949-E953 WeakPolarHBondContact O-CG 3.39Å; V949-E953 PolarHBondContact O-N 2.96Å
950E87Confident83.7Confident111 Ų11177.4 Ų77.452%0.51940%0.399SS..Hα-helixtrans-56.9-41175.6-174.6-178.1-168.200111.9A946 E953 E954A946-E950 PolarHBondContact O-N 3.35Å; E950-E953 PolarHBondContact O-N 3.02Å; E950-E954 WeakPolarHBondContact O-CG 3.47Å; E950-E954 PolarHBondContact O-N 3.46Å
951K86.8Confident83.6Confident55 Ų5574.7 Ų74.724%0.23939%0.387CS..Hα-helixtrans-68.8-32.9174.9-67.7-49-178.6-164.70113.7L792 Y799 A947 I948 V949 E954 E955L792-K951 HydrophobicContact CD1-CB 3.61Å; L792-K951 HydrophobicContact CD1-CG 4.13Å; L792-K951 HydrophobicContact CD2-CB 3.79Å; L792-K951 HydrophobicContact CG-CB 4.36Å; Y799-K951 HydrophobicContact CE1-CG 4.36Å; A947-K951 WeakPolarHBondContact O-CG 3.42Å; A947-K951 PolarHBondContact O-N 3.11Å; I948-K951 PolarHBondContact O-N 3.27Å; V949-K951 VanDerWaalsContact C-N 3.28Å; V949-K951 PolarHBondContact O-N 3.49Å; K951-E954 VanDerWaalsContact CD-OE2 3.29Å; K951-E954 WeakPolarHBondContact CD-OE2 3.29Å; K951-E954 IonicContact NZ-OE1 3.05Å; K951-E954 PolarHBondContact NZ-OE1 2.91Å; K951-E954 IonicContact NZ-OE2 3.63Å; K951-E954 PolarHBondContact NZ-OE2 2.66Å; K951-E955 WeakPolarHBondContact O-CG 3.27Å; K951-E955 PolarHBondContact O-N 3.13Å
952I88.9Confident82.9Confident46 Ų4674.7 Ų74.724%0.23639%0.387CS..Hα-helixtrans-64.7-45.4171.6-66.3167.8000109.6L789 L792 L944 I948 V949 E954 E955 V956L789-I952 HydrophobicContact CD2-CG1 4.48Å; L792-I952 HydrophobicContact CD2-CG1 3.58Å; L944-I952 HydrophobicContact CD1-CD1 4Å; I948-I952 HydrophobicContact CG2-CD1 4.16Å; I948-I952 WeakPolarHBondContact O-CG1 3.38Å; I948-I952 PolarHBondContact O-N 3.22Å; V949-I952 WeakPolarHBondContact O-CA 3.37Å; V949-I952 WeakPolarHBondContact O-CB 3.46Å; V949-I952 PolarHBondContact O-N 3.29Å; I952-E954 PolarHBondContact O-N 2.95Å; I952-E955 PolarHBondContact O-N 2.88Å; I952-V956 HydrophobicContact CG2-CG2 4.19Å; I952-V956 VanDerWaalsContact O-CG2 3.25Å; I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 2.78Å
953E88.4Confident82.2Confident126 Ų12668.3 Ų68.359%0.58936%0.361SS*.Hα-helixtrans-59.8-44.4178-70176.1169.400111.9V949 E950 E955 V956 E957V949-E953 WeakPolarHBondContact O-CG 3.39Å; V949-E953 PolarHBondContact O-N 2.96Å; E950-E953 PolarHBondContact O-N 3.02Å; E953-E955 PolarHBondContact O-N 3.37Å; E953-V956 PolarHBondContact O-N 3.1Å; E953-E957 WeakPolarHBondContact O-CB 3.37Å; E953-E957 PolarHBondContact O-N 3.22Å
954E87.4Confident81.2Confident68 Ų6870.5 Ų70.532%0.31837%0.373SS..Hα-helixtrans-57.6-44.7174.5-76177.3-162.400112.6E950 K951 I952 K958E950-E954 WeakPolarHBondContact O-CG 3.47Å; E950-E954 PolarHBondContact O-N 3.46Å; K951-E954 VanDerWaalsContact CD-OE2 3.29Å; K951-E954 WeakPolarHBondContact CD-OE2 3.29Å; K951-E954 IonicContact NZ-OE1 3.05Å; K951-E954 PolarHBondContact NZ-OE1 2.91Å; K951-E954 IonicContact NZ-OE2 3.63Å; K951-E954 PolarHBondContact NZ-OE2 2.66Å; I952-E954 PolarHBondContact O-N 2.95Å; E954-K958 VanDerWaalsContact O-CG 3.28Å; E954-K958 WeakPolarHBondContact O-CG 3.3Å; E954-K958 PolarHBondContact O-N 3.23Å; E954-K958 VanDerWaalsContact O-N 3.11Å
955E86.8Confident79.8Confident60 Ų6075 Ų7528%0.2838%0.384SS..Hα-helixtrans-71.2-36.6179.3-68.4-52.7138.100112.5L789 K951 I952 E953 K958 C959L789-E955 HydrophobicContact CD2-CB 3.93Å; L789-E955 HydrophobicContact CD2-CG 4.31Å; K951-E955 WeakPolarHBondContact O-CG 3.27Å; K951-E955 PolarHBondContact O-N 3.13Å; I952-E955 PolarHBondContact O-N 2.88Å; E953-E955 PolarHBondContact O-N 3.37Å; E955-K958 PolarHBondContact O-N 3.31Å; E955-K958 IonicContact OE1-NZ 3.98Å; E955-K958 PolarHBondContact OE1-NZ 2.81Å; E955-K958 IonicContact OE2-NZ 3.87Å; E955-C959 WeakPolarHBondContact O-CB 3.12Å; E955-C959 PolarHBondContact O-N 3.22Å
956V87Confident78.2Confident52 Ų5279.1 Ų79.132%0.31541%0.406SS..Hα-helixtrans-62.2-44173.6169.90000110.6P787 I952 E953 C959 K960P787-V956 HydrophobicContact CB-CG2 4.43Å; P787-V956 HydrophobicContact CG-CG2 4.12Å; I952-V956 HydrophobicContact CG2-CG2 4.19Å; I952-V956 VanDerWaalsContact O-CG2 3.25Å; I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 2.78Å; E953-V956 PolarHBondContact O-N 3.1Å; V956-C959 WeakPolarHBondContact O-CB 3.38Å; V956-C959 PolarHBondContact O-N 2.66Å; V956-K960 PolarHBondContact O-N 3.1Å
957E84.4Confident76.5Confident98 Ų9882.8 Ų82.846%0.45841%0.409SS..Hα-helixtrans-67.5-39.8-179.2-161.457.4-147.400111.9E953 C959 K960 V961E953-E957 WeakPolarHBondContact O-CB 3.37Å; E953-E957 PolarHBondContact O-N 3.22Å; E957-C959 VanDerWaalsContact C-N 3.27Å; E957-C959 PolarHBondContact O-N 2.96Å; E957-K960 PolarHBondContact O-N 3.47Å; E957-K960 IonicContact OE2-NZ 3.61Å; E957-K960 PolarHBondContact OE2-NZ 3.43Å; E957-V961 WeakPolarHBondContact O-CG2 3.19Å; E957-V961 PolarHBondContact O-N 3.05Å
958K84.2Confident74.3Confident104 Ų10488.3 Ų88.345%0.45243%0.433SS..Hα-helixtrans-57.5-41.5170.8-71.5170-163.3169.50111.9E954 E955 V961 L962E954-K958 VanDerWaalsContact O-CG 3.28Å; E954-K958 WeakPolarHBondContact O-CG 3.3Å; E954-K958 PolarHBondContact O-N 3.23Å; E954-K958 VanDerWaalsContact O-N 3.11Å; E955-K958 PolarHBondContact O-N 3.31Å; E955-K958 IonicContact OE1-NZ 3.98Å; E955-K958 PolarHBondContact OE1-NZ 2.81Å; E955-K958 IonicContact OE2-NZ 3.87Å; K958-V961 PolarHBondContact O-N 3.43Å; K958-L962 WeakPolarHBondContact O-CG 3.21Å; K958-L962 PolarHBondContact O-N 2.97Å; K958-L962 VanDerWaalsContact O-N 3.15Å
959C82.4Confident71.7Confident13 Ų1394.6 Ų94.69%0.08848%0.478CS..Hα-helixtrans-64.7-40.4179-165.30000112.2C785 P787 E955 V956 E957 V961 L962 T963C785-C959 PolarHBondContact O-SG 2.94Å; P787-C959 HydrophobicContact CB-CB 4.22Å; E955-C959 WeakPolarHBondContact O-CB 3.12Å; E955-C959 PolarHBondContact O-N 3.22Å; V956-C959 WeakPolarHBondContact O-CB 3.38Å; V956-C959 PolarHBondContact O-N 2.66Å; E957-C959 VanDerWaalsContact C-N 3.27Å; E957-C959 PolarHBondContact O-N 2.96Å; C959-V961 PolarHBondContact O-N 3.16Å; C959-L962 PolarHBondContact O-N 3.34Å; C959-T963 PolarHBondContact O-N 3.44Å; C959-T963 VanDerWaalsContact O-N 3.07Å; C959-T963 PolarHBondContact O-OG1 3Å
960K78Confident71Confident107 Ų10796.5 Ų96.547%0.46548%0.484SS..Hα-helixtrans-60.9-44.5174.9-68.3-179-164.2155.20112.3V956 E957 L962 T963 L964V956-K960 PolarHBondContact O-N 3.1Å; E957-K960 PolarHBondContact O-N 3.47Å; E957-K960 IonicContact OE2-NZ 3.61Å; E957-K960 PolarHBondContact OE2-NZ 3.43Å; K960-L962 VanDerWaalsContact C-N 3.34Å; K960-L962 PolarHBondContact O-N 2.98Å; K960-T963 PolarHBondContact O-N 3.25Å; K960-L964 PolarHBondContact O-N 3.09Å; K960-L964 VanDerWaalsContact O-N 3.1Å
961V73.8Confident70.1Confident66 Ų6695.7 Ų95.740%0.448%0.482SS..Hα-helixtrans-63.3-39179.1175.60000111.9E957 K958 C959 T963 R965E957-V961 WeakPolarHBondContact O-CG2 3.19Å; E957-V961 PolarHBondContact O-N 3.05Å; K958-V961 PolarHBondContact O-N 3.43Å; C959-V961 PolarHBondContact O-N 3.16Å; V961-T963 VanDerWaalsContact C-N 3.32Å; V961-R965 PolarHBondContact O-N 3.38Å
962L64.1Low69.2Low100 Ų10098 Ų9852%0.52450%0.496SS..Hα-helixtrans-66.3-35.2175.5-73.2165.5000112.3K958 C959 K960 R965 N966K958-L962 WeakPolarHBondContact O-CG 3.21Å; K958-L962 PolarHBondContact O-N 2.97Å; K958-L962 VanDerWaalsContact O-N 3.15Å; C959-L962 PolarHBondContact O-N 3.34Å; K960-L962 VanDerWaalsContact C-N 3.34Å; K960-L962 PolarHBondContact O-N 2.98Å; L962-R965 PolarHBondContact O-N 3Å; L962-N966 PolarHBondContact O-N 3.33Å
963T60Low68Low54 Ų54101.1 Ų101.133%0.33151%0.511SS..Hα-helixtrans-69.4-38.4178.8-48.10000111.7C959 K960 V961 N966C959-T963 PolarHBondContact O-N 3.44Å; C959-T963 VanDerWaalsContact O-N 3.07Å; C959-T963 PolarHBondContact O-OG1 3Å; K960-T963 PolarHBondContact O-N 3.25Å; V961-T963 VanDerWaalsContact C-N 3.32Å; T963-N966 PolarHBondContact O-N 3.36Å
964L57.9Low66.8Low121 Ų12199.5 Ų99.563%0.63451%0.506SS*.Hα-helixtrans-66.2-40175.2-73.9164.4000112.5K960 N966 H967K960-L964 PolarHBondContact O-N 3.09Å; K960-L964 VanDerWaalsContact O-N 3.1Å; L964-N966 VanDerWaalsContact C-N 3.3Å; L964-N966 PolarHBondContact O-N 2.87Å; L964-H967 PolarHBondContact O-N 3.3Å
965R53.1Low65.4Low180 Ų180101.6 Ų101.668%0.67952%0.519SS*.Hα-helixtrans-67-27.7178.7-77-176.7178.3179.40.8114.2V961 L962V961-R965 PolarHBondContact O-N 3.38Å; L962-R965 PolarHBondContact O-N 3Å
966N51.9Low63.9Low115 Ų115104.6 Ų104.662%0.61554%0.536SS*.THydrogen-bonded Turntrans-84.6-9.2178.2-74.1-15000113.3L962 T963 L964 S969L962-N966 PolarHBondContact O-N 3.33Å; T963-N966 PolarHBondContact O-N 3.36Å; L964-N966 VanDerWaalsContact C-N 3.3Å; L964-N966 PolarHBondContact O-N 2.87Å; N966-S969 PolarHBondContact O-OG 3.21Å
967H46.3Very low62.1Low159 Ų159108.6 Ų108.674%0.73655%0.553SS**THydrogen-bonded Turntrans-89.7-20.5174.4-93.1-49.6000113.3L964L964-H967 PolarHBondContact O-N 3.3Å
968D38.2Very low60.2Low157 Ų157109.5 Ų109.584%0.8456%0.561SS**  trans-90.51.5176.7-75.7-26000114
969S32.7Very low58Low138 Ų138110 Ų11097%0.96557%0.571SS**  trans-120.70177.962.30000111.1N966N966-S969 PolarHBondContact O-OG 3.21Å

Retrieved 969 of 969 residues in 826.2 ms (Link to these results)

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